A0A087YDT5_POEFO Loading...

Lysophosphatidylcholine acyltransferase 2

AlphaFold DB , UniProt , Accession A0A087YDT5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 525 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
1M24.6Very low36.6Very low234 Ų234135.7 Ų135.7100%1.15371%0.706SS**  0138.10-63.3-166.6-166.700107.3Q3M1-Q3 PolarHBondContact O-N 3.31Å
2P29.8Very low37.3Very low130 Ų130134.4 Ų134.484%0.84469%0.694SS**  trans-66.8130.7176.2014.3000108.8Q4P2-Q4 PolarHBondContact O-N 3.49Å
3Q30.5Very low37.5Very low184 Ų184137.1 Ų137.186%0.8670%0.701SS**  trans-59.6126.9172.9-82.8175.8-34.900109.3M1 R5M1-Q3 PolarHBondContact O-N 3.31Å; Q3-R5 PolarHBondContact O-N 2.81Å
4Q31.4Very low37.7Very low192 Ų192131.4 Ų131.490%0.89768%0.68SS**  trans-74.1110179.7-160.4169.1-4.200107.8P2P2-Q4 PolarHBondContact O-N 3.49Å
5R38.8Very low38.3Very low153 Ų153123.8 Ų123.858%0.57764%0.641SS**  trans-60135.6-176.7-60.2-177.7-162.2-174.21.9110.6Q3 F7 R11Q3-R5 PolarHBondContact O-N 2.81Å; R5-F7 VanDerWaalsContact C-N 3.32Å; R5-F7 PolarHBondContact O-N 3.25Å; R5-R11 VanDerWaalsContact NH1-NH2 3.2Å
6V40.2Very low39Very low101 Ų101121.3 Ų121.361%0.61263%0.628SS**SBendtrans-70.8-28.8-178.9-177.50000111.8E379V6-E379 PolarHBondContact N-OE1 3.3Å
7F39.6Very low39.8Very low90 Ų90118.5 Ų118.540%0.39561%0.614SS.*  trans-127.798178.5-68.8-83.7000112.2R5 L9R5-F7 VanDerWaalsContact C-N 3.32Å; R5-F7 PolarHBondContact O-N 3.25Å; F7-L9 PolarHBondContact O-N 3.41Å
8A37Very low40.1Very low92 Ų92116.3 Ų116.376%0.7661%0.608SS**  trans-87.578.116800000110
9L43Very low41Very low100 Ų100116.2 Ų116.252%0.52463%0.626SS.*  trans-63.9130168-81.3165.7000109F7 R11 L383 L404F7-L9 PolarHBondContact O-N 3.41Å; L9-R11 PolarHBondContact O-N 3.2Å; L9-L383 HydrophobicContact CD1-CD2 4Å; L9-L404 HydrophobicContact CD1-CD2 4.49Å
10P38.6Very low42.5Very low119 Ų119112.2 Ų112.277%0.77361%0.605SS**  trans-62107.4179.716.5-24000110.4Q12P10-Q12 PolarHBondContact O-N 3.27Å; P10-Q12 VanDerWaalsContact O-N 3.11Å
11R49.3Very low44.3Very low98 Ų98112.6 Ų112.637%0.3761%0.606SS.*  trans-67.2109.7175.6-68.1-176.6177.1-172.2-4.6108.3R5 L9 Q13 A382 D385 R386R5-R11 VanDerWaalsContact NH1-NH2 3.2Å; L9-R11 PolarHBondContact O-N 3.2Å; R11-Q13 PolarHBondContact O-N 3.45Å; R11-A382 PolarHBondContact NH2-O 3.38Å; R11-D385 PolarHBondContact NH2-O 3.39Å; R11-R386 PolarHBondContact NH1-O 2.85Å
12Q44.6Very low47.1Very low120 Ų120102.9 Ų102.956%0.56156%0.559SS**  trans-60.3111.7171.6-77.2-166.8-16.600110.2P10 S14 L15P10-Q12 PolarHBondContact O-N 3.27Å; P10-Q12 VanDerWaalsContact O-N 3.11Å; Q12-S14 PolarHBondContact O-N 2.85Å; Q12-S14 VanDerWaalsContact O-N 3.08Å; Q12-L15 PolarHBondContact O-N 2.94Å
13Q40Very low49.8Very low169 Ų16996.7 Ų96.779%0.7952%0.519SS*.G310 helixtrans-53.6-28.9175.8-82.4176.7-19.500113R11 L15 L16R11-Q13 PolarHBondContact O-N 3.45Å; Q13-L15 PolarHBondContact O-N 3.05Å; Q13-L16 PolarHBondContact O-N 3.08Å; Q13-L16 VanDerWaalsContact O-N 3.14Å
14S41.1Very low52.6Low58 Ų5888 Ų8841%0.40648%0.478SS..G310 helixtrans-65.2-9.5-179.169.80000115.6Q12 K329 K333Q12-S14 PolarHBondContact O-N 2.85Å; Q12-S14 VanDerWaalsContact O-N 3.08Å; S14-K329 WeakPolarHBondContact O-CE 3.36Å; S14-K329 PolarHBondContact O-NZ 2.81Å; S14-K333 PolarHBondContact OG-NZ 3.3Å
15L46.1Very low55.1Low17 Ų1780 Ų809%0.08944%0.442CS..G310 helixtrans-96.3-13.3177-69.5172.4000113.5Q12 Q13 K333 R395 I399Q12-L15 PolarHBondContact O-N 2.94Å; Q13-L15 PolarHBondContact O-N 3.05Å; L15-K333 HydrophobicContact CD2-CD 4.08Å; L15-R395 PolarHBondContact O-NH2 2.97Å; L15-I399 HydrophobicContact CD1-CD1 4.48Å; L15-I399 HydrophobicContact CD1-CG2 4.45Å; L15-I399 HydrophobicContact CD2-CD1 4.21Å
16L49.6Very low57.3Low83 Ų8374.5 Ų74.544%0.43542%0.423SS..SBendtrans-75134.5172.5-64167.7000109.5Q13 D387Q13-L16 PolarHBondContact O-N 3.08Å; Q13-L16 VanDerWaalsContact O-N 3.14Å; L16-D387 HydrophobicContact CD2-CB 3.89Å
17L51.7Low58.7Low74 Ų7475.8 Ų75.839%0.38743%0.426SS..PPolyproline II helixtrans-79.5138.2179.1-85149.5000110.3A19 E326L17-A19 PolarHBondContact O-N 3.3Å; L17-E326 HydrophobicContact CD2-CG 3.83Å; L17-E326 WeakPolarHBondContact CD2-OE1 3.3Å
18P46.8Very low60.1Low80 Ų8073.1 Ų73.152%0.51942%0.418SS..PPolyproline II helixtrans-65.3128.8151.826.7-27.2000107.8V20P18-V20 VanDerWaalsContact C-N 3.27Å; P18-V20 HydrophobicContact CB-CG2 4.25Å; P18-V20 HydrophobicContact CG-CG2 4.26Å; P18-V20 PolarHBondContact O-N 3.45Å
19A57.3Low61.6Low113 Ų11376.5 Ų76.593%0.93442%0.423SS*.  trans-67.285.7175.600000109.8L17L17-A19 PolarHBondContact O-N 3.3Å
20V69.3Low63.3Low36 Ų3673.9 Ų73.922%0.21841%0.409CS..  trans-98139173-170.40000108P18 N22 C209 P298P18-V20 VanDerWaalsContact C-N 3.27Å; P18-V20 HydrophobicContact CB-CG2 4.25Å; P18-V20 HydrophobicContact CG-CG2 4.26Å; P18-V20 PolarHBondContact O-N 3.45Å; V20-N22 PolarHBondContact O-N 2.84Å; V20-C209 HydrophobicContact CG1-CB 3.5Å; V20-C209 VanDerWaalsContact CG1-SG 3.58Å; V20-P298 HydrophobicContact CG1-CB 4.5Å; V20-P298 HydrophobicContact CG1-CG 3.83Å; V20-P298 HydrophobicContact CG2-CB 4.38Å; V20-P298 HydrophobicContact CG2-CG 4.46Å
21I80.3Confident65.5Low122 Ų12271.2 Ų71.263%0.62639%0.393SS*.  trans-54.1133174.9-61.4171.8000108.5P23 S208I21-P23 VanDerWaalsContact O-CD 3.26Å; I21-P23 WeakPolarHBondContact O-CD 3.5Å; I21-S208 PolarHBondContact O-OG 2.9Å
22N83.4Confident67.3Low29 Ų2975.2 Ų75.216%0.15541%0.413CS..  trans-50.6112.8178.4178.6-18.5000110.4V20 F24 V25 N206 L324V20-N22 PolarHBondContact O-N 2.84Å; N22-F24 PolarHBondContact O-N 3.34Å; N22-F24 PolarHBondContact OD1-N 3.18Å; N22-V25 HydrophobicContact CB-CB 4.36Å; N22-V25 HydrophobicContact CB-CG2 4.25Å; N22-V25 VanDerWaalsContact CG-CG2 3.5Å; N22-V25 WeakPolarHBondContact ND2-CG2 3.27Å; N22-V25 PolarHBondContact O-N 2.86Å; N22-N206 PolarHBondContact O-ND2 3.38Å; N22-L324 HydrophobicContact CB-CD1 4.18Å; N22-L324 WeakPolarHBondContact ND2-CD1 3.41Å; N22-L324 VanDerWaalsContact OD1-CD1 3.3Å; N22-L324 WeakPolarHBondContact OD1-CD1 3.4Å
23P88.2Confident69.4Low1 Ų172.8 Ų72.81%0.00641%0.414CS..THydrogen-bonded Turntrans-71.5-11.7-173.724.8-30.9000113.7I21 T205 N206 I211 T300I21-P23 VanDerWaalsContact O-CD 3.26Å; I21-P23 WeakPolarHBondContact O-CD 3.5Å; P23-T205 HydrophobicContact CB-CG2 4.32Å; P23-T205 CarbonylContact O-C 3.58Å; P23-T205 VanDerWaalsContact O-CA 3.22Å; P23-T205 WeakPolarHBondContact O-CA 3.4Å; P23-N206 WeakPolarHBondContact CA-OD1 3.41Å; P23-N206 PolarHBondContact O-N 2.99Å; P23-I211 HydrophobicContact CB-CG2 3.97Å; P23-I211 HydrophobicContact CG-CG2 3.76Å; P23-T300 HydrophobicContact CG-CG2 4.33Å
24F88.8Confident71.6Confident0 Ų066.8 Ų66.80%039%0.389CS..THydrogen-bonded Turntrans-104.61.6-174.2-49.9-63.1000113.4N22 T203 T205 I211 T241 Q243 H302 D306 C307 M310 L324N22-F24 PolarHBondContact O-N 3.34Å; N22-F24 PolarHBondContact OD1-N 3.18Å; F24-T203 HydrophobicContact CE1-CG2 3.91Å; F24-T205 HydrophobicContact CE1-CG2 4.13Å; F24-I211 HydrophobicContact CE1-CD1 4.13Å; F24-I211 HydrophobicContact CE1-CG2 4.3Å; F24-I211 HydrophobicContact CZ-CD1 4.28Å; F24-I211 HydrophobicContact CZ-CG2 4.02Å; F24-T241 VanDerWaalsContact O-CB 3.23Å; F24-T241 WeakPolarHBondContact O-CB 3.46Å; F24-T241 PolarHBondContact O-OG1 2.96Å; F24-Q243 PolarHBondContact O-N 3.45Å; F24-H302 HydrophobicContact CE2-CB 3.85Å; F24-H302 HydrophobicContact CZ-CB 3.99Å; F24-D306 HydrophobicContact CE2-CB 4.5Å; F24-C307 WeakPolarHBondContact CD1-SG 3.41Å; F24-C307 WeakPolarHBondContact CE1-SG 3.43Å; F24-C307 WeakPolarHBondContact CZ-SG 3.27Å; F24-M310 HydrophobicContact CB-CE 4.02Å; F24-M310 HydrophobicContact CB-SD 3.97Å; F24-L324 HydrophobicContact CD2-CD1 4.49Å; F24-L324 HydrophobicContact CD2-CD2 3.62Å; F24-L324 HydrophobicContact CE2-CD2 3.89Å
25V83.7Confident73.8Confident24 Ų2467.3 Ų67.315%0.14539%0.39CS..BIsolated β-bridgetrans-110.2136.1176177.30000109.7N22 N206 Q243N22-V25 HydrophobicContact CB-CB 4.36Å; N22-V25 HydrophobicContact CB-CG2 4.25Å; N22-V25 VanDerWaalsContact CG-CG2 3.5Å; N22-V25 WeakPolarHBondContact ND2-CG2 3.27Å; N22-V25 PolarHBondContact O-N 2.86Å; V25-N206 PolarHBondContact O-ND2 3.34Å; V25-Q243 WeakPolarHBondContact CA-O 3.1Å; V25-Q243 HydrophobicContact CG2-CB 3.87Å; V25-Q243 HydrophobicContact CG2-CG 4.08Å; V25-Q243 VanDerWaalsContact CG2-OE1 3.27Å
26Q84.8Confident75.9Confident39 Ų3971.5 Ų71.518%0.18241%0.411CS..  trans-134.593.4171.5-175.265.91.400111.1T28 N206 D236 T239 T241 Q243Q26-T28 PolarHBondContact O-N 3.21Å; Q26-N206 HydrophobicContact CB-CB 4.48Å; Q26-N206 VanDerWaalsContact OE1-CB 3.31Å; Q26-D236 PolarHBondContact NE2-OD2 3.49Å; Q26-T239 HydrophobicContact CB-CG2 3.82Å; Q26-T239 HydrophobicContact CG-CG2 3.61Å; Q26-T241 HydrophobicContact CB-CG2 4.21Å; Q26-T241 WeakPolarHBondContact CB-OG1 3.35Å; Q26-T241 PolarHBondContact N-OG1 3.07Å; Q26-Q243 PolarHBondContact N-O 2.88Å
27D69.4Low77.8Confident127 Ų12773.4 Ų73.468%0.67942%0.416SS*.  trans-91.485.4171.3-74-27.8000110.3N29D27-N29 PolarHBondContact O-N 3.33Å; D27-N29 VanDerWaalsContact O-N 3.15Å
28T68.4Low79.7Confident35 Ų3570.4 Ų70.422%0.21540%0.401CS..  trans-79.496.3165.816.70000108.7Q26 I30 D236 R245Q26-T28 PolarHBondContact O-N 3.21Å; T28-I30 PolarHBondContact O-N 3.31Å; T28-D236 HydrophobicContact CG2-CB 4.06Å; T28-R245 VanDerWaalsContact CB-NH2 3.27Å; T28-R245 PolarHBondContact O-NH2 3.05Å; T28-R245 PolarHBondContact OG1-NH1 2.76Å; T28-R245 PolarHBondContact OG1-NH2 2.91Å
29N69.2Low81.8Confident162 Ų16270.6 Ų70.687%0.86640%0.4SS*.  trans-66.899.8168.5-84.3-34.6000109.6D27D27-N29 PolarHBondContact O-N 3.33Å; D27-N29 VanDerWaalsContact O-N 3.15Å
30I78.2Confident83.6Confident46 Ų4670.3 Ų70.324%0.23638%0.382CS..  trans-87.2120177.9-54.9178.9000108.2T28 T34 V35 M235 R245 L253T28-I30 PolarHBondContact O-N 3.31Å; I30-T34 VanDerWaalsContact CG2-CB 3.48Å; I30-T34 HydrophobicContact CG2-CG2 3.6Å; I30-V35 HydrophobicContact CB-CG2 4.11Å; I30-V35 HydrophobicContact CG2-CG2 3.55Å; I30-M235 HydrophobicContact CB-CE 4.28Å; I30-M235 HydrophobicContact CD1-CE 3.31Å; I30-M235 HydrophobicContact CG1-CE 3.52Å; I30-M235 HydrophobicContact CG2-CE 3.74Å; I30-R245 VanDerWaalsContact CD1-CZ 3.41Å; I30-L253 HydrophobicContact CD1-CD1 4.16Å; I30-L253 HydrophobicContact CD1-CD2 4.23Å
31S84.8Confident84.8Confident63 Ų6370.8 Ų70.844%0.44138%0.383SS..  trans-62149.1173.369.20000111.2A33 T34 V35S31-A33 PolarHBondContact O-N 3.43Å; S31-A33 VanDerWaalsContact O-N 3.14Å; S31-T34 WeakPolarHBondContact O-CA 3.49Å; S31-T34 WeakPolarHBondContact O-CB 3.47Å; S31-T34 PolarHBondContact O-N 3.38Å; S31-T34 PolarHBondContact OG-N 3.02Å; S31-T34 PolarHBondContact OG-OG1 3.31Å; S31-V35 PolarHBondContact O-N 3.34Å
32K87.4Confident85.5Confident181 Ų18165.4 Ų65.479%0.78736%0.358SS*.Hα-helixtrans-52-39.3177.1-66.9-178.1179.9178.10112.1T34 V35 I36K32-T34 VanDerWaalsContact C-N 3.33Å; K32-T34 PolarHBondContact O-N 2.84Å; K32-V35 PolarHBondContact O-N 3.26Å; K32-I36 WeakPolarHBondContact O-CG1 3.44Å; K32-I36 PolarHBondContact O-N 2.91Å
33A88.3Confident86.1Confident70 Ų7068.9 Ų68.958%0.57938%0.376SS*.Hα-helixtrans-60.8-40.1175.200000112.8S31 I36 K37S31-A33 PolarHBondContact O-N 3.43Å; S31-A33 VanDerWaalsContact O-N 3.14Å; A33-I36 PolarHBondContact O-N 2.96Å; A33-K37 WeakPolarHBondContact O-CB 3.41Å; A33-K37 PolarHBondContact O-N 3.48Å
34T86Confident86.4Confident43 Ų4376.4 Ų76.426%0.26441%0.409SS..Hα-helixtrans-70.9-36.9177.5-53.90000111.3I30 S31 K32 K37 C38 M235I30-T34 VanDerWaalsContact CG2-CB 3.48Å; I30-T34 HydrophobicContact CG2-CG2 3.6Å; S31-T34 WeakPolarHBondContact O-CA 3.49Å; S31-T34 WeakPolarHBondContact O-CB 3.47Å; S31-T34 PolarHBondContact O-N 3.38Å; S31-T34 PolarHBondContact OG-N 3.02Å; S31-T34 PolarHBondContact OG-OG1 3.31Å; K32-T34 VanDerWaalsContact C-N 3.33Å; K32-T34 PolarHBondContact O-N 2.84Å; T34-K37 PolarHBondContact O-N 3.47Å; T34-C38 WeakPolarHBondContact O-CB 3.28Å; T34-C38 PolarHBondContact O-N 3.44Å; T34-C38 PolarHBondContact O-SG 3.38Å; T34-C38 VanDerWaalsContact O-SG 3.32Å; T34-M235 HydrophobicContact CG2-CE 3.62Å; T34-M235 HydrophobicContact CG2-SD 3.53Å; T34-M235 VanDerWaalsContact CG2-SD 3.53Å
35V87.4Confident86.8Confident69 Ų6978 Ų7842%0.41842%0.417SS..Hα-helixtrans-59.7-50.6172177.90000110.5I30 S31 K32 K37 C38 V39I30-V35 HydrophobicContact CB-CG2 4.11Å; I30-V35 HydrophobicContact CG2-CG2 3.55Å; S31-V35 PolarHBondContact O-N 3.34Å; K32-V35 PolarHBondContact O-N 3.26Å; V35-K37 VanDerWaalsContact C-N 3.3Å; V35-K37 PolarHBondContact O-N 3.48Å; V35-C38 PolarHBondContact O-N 3.02Å; V35-C38 VanDerWaalsContact O-N 3.14Å; V35-V39 HydrophobicContact CG1-CG2 4.4Å; V35-V39 WeakPolarHBondContact O-CG2 3.27Å; V35-V39 PolarHBondContact O-N 2.93Å
36I90.4Very high87.4Confident104 Ų10478 Ų7853%0.53342%0.417SS..Hα-helixtrans-57.3-46.1177.9-66.8164.5000110.3K32 A33 C38 V39 L40K32-I36 WeakPolarHBondContact O-CG1 3.44Å; K32-I36 PolarHBondContact O-N 2.91Å; A33-I36 PolarHBondContact O-N 2.96Å; I36-C38 PolarHBondContact O-N 3.42Å; I36-V39 PolarHBondContact O-N 2.6Å; I36-L40 HydrophobicContact CG2-CD1 3.9Å; I36-L40 HydrophobicContact CG2-CG 4.3Å; I36-L40 WeakPolarHBondContact O-CG 3.41Å; I36-L40 PolarHBondContact O-N 3.27Å
37K90.6Very high88Confident124 Ų12479.4 Ų79.454%0.53943%0.429SS..Hα-helixtrans-58.4-46.8175.9-178.7179.9177.2-178.20112.2A33 T34 V35 V39 L40 L41A33-K37 WeakPolarHBondContact O-CB 3.41Å; A33-K37 PolarHBondContact O-N 3.48Å; T34-K37 PolarHBondContact O-N 3.47Å; V35-K37 VanDerWaalsContact C-N 3.3Å; V35-K37 PolarHBondContact O-N 3.48Å; K37-V39 VanDerWaalsContact C-N 3.31Å; K37-V39 PolarHBondContact O-N 2.8Å; K37-L40 PolarHBondContact O-N 3.27Å; K37-L41 HydrophobicContact CG-CD1 3.97Å; K37-L41 HydrophobicContact CG-CG 4.47Å; K37-L41 WeakPolarHBondContact O-CB 3.45Å; K37-L41 WeakPolarHBondContact O-CG 3.3Å; K37-L41 PolarHBondContact O-N 3.43Å
38C90.7Very high89.4Confident10 Ų1078 Ų787%0.06842%0.421CS..Hα-helixtrans-62.7-37.8177.9-74.20000112.1T34 V35 I36 G42 C256T34-C38 WeakPolarHBondContact O-CB 3.28Å; T34-C38 PolarHBondContact O-N 3.44Å; T34-C38 PolarHBondContact O-SG 3.38Å; T34-C38 VanDerWaalsContact O-SG 3.32Å; V35-C38 PolarHBondContact O-N 3.02Å; V35-C38 VanDerWaalsContact O-N 3.14Å; I36-C38 PolarHBondContact O-N 3.42Å; C38-G42 WeakPolarHBondContact O-CA 3.47Å; C38-G42 PolarHBondContact O-N 3.29Å; C38-C256 HydrophobicContact CB-CB 4.12Å; C38-C256 PolarHBondContact O-SG 3.01Å
39V91.9Very high90.8Very high85 Ų8577.1 Ų77.152%0.51541%0.414SS..Hα-helixtrans-66.7-50.4176.4172.10000110.6V35 I36 K37 L41 G42 I43V35-V39 HydrophobicContact CG1-CG2 4.4Å; V35-V39 WeakPolarHBondContact O-CG2 3.27Å; V35-V39 PolarHBondContact O-N 2.93Å; I36-V39 PolarHBondContact O-N 2.6Å; K37-V39 VanDerWaalsContact C-N 3.31Å; K37-V39 PolarHBondContact O-N 2.8Å; V39-L41 PolarHBondContact O-N 3.38Å; V39-G42 PolarHBondContact O-N 2.81Å; V39-G42 VanDerWaalsContact O-N 3.11Å; V39-I43 HydrophobicContact CG1-CD1 4.41Å; V39-I43 WeakPolarHBondContact O-CG1 3.14Å; V39-I43 PolarHBondContact O-N 2.93Å
40L93.8Very high92.1Very high106 Ų10672.4 Ų72.456%0.55539%0.391SS*.Hα-helixtrans-59.9-45.9-179.7-70.1174.8000112.2I36 K37 G42I36-L40 HydrophobicContact CG2-CD1 3.9Å; I36-L40 HydrophobicContact CG2-CG 4.3Å; I36-L40 WeakPolarHBondContact O-CG 3.41Å; I36-L40 PolarHBondContact O-N 3.27Å; K37-L40 PolarHBondContact O-N 3.27Å; L40-G42 VanDerWaalsContact C-N 3.34Å
41L94.4Very high93Very high46 Ų4675.7 Ų75.724%0.24141%0.408CS..Hα-helixtrans-67-38.6174.6-69.9176.4000111.6K37 V39 I43 F44 L45 C256 L258K37-L41 HydrophobicContact CG-CD1 3.97Å; K37-L41 HydrophobicContact CG-CG 4.47Å; K37-L41 WeakPolarHBondContact O-CB 3.45Å; K37-L41 WeakPolarHBondContact O-CG 3.3Å; K37-L41 PolarHBondContact O-N 3.43Å; V39-L41 PolarHBondContact O-N 3.38Å; L41-I43 VanDerWaalsContact C-N 3.34Å; L41-I43 PolarHBondContact O-N 2.87Å; L41-F44 PolarHBondContact O-N 3.49Å; L41-L45 HydrophobicContact CB-CD1 4.03Å; L41-L45 HydrophobicContact CD2-CD1 4.5Å; L41-L45 WeakPolarHBondContact O-CB 3.39Å; L41-L45 WeakPolarHBondContact O-CG 3.32Å; L41-L45 PolarHBondContact O-N 3.18Å; L41-C256 WeakPolarHBondContact CB-O 3.42Å; L41-L258 HydrophobicContact CD1-CG 4.19Å; L41-L258 HydrophobicContact CD2-CD2 4.11Å; L41-L258 HydrophobicContact CD2-CG 4.49Å
42G94.8Very high93.7Very high9 Ų976.3 Ų76.39%0.09341%0.406CS..Hα-helixtrans-62.3-37.1-176.900000113.7C38 V39 L40 F44 V46 P47 C256C38-G42 WeakPolarHBondContact O-CA 3.47Å; C38-G42 PolarHBondContact O-N 3.29Å; V39-G42 PolarHBondContact O-N 2.81Å; V39-G42 VanDerWaalsContact O-N 3.11Å; L40-G42 VanDerWaalsContact C-N 3.34Å; G42-F44 PolarHBondContact O-N 3.45Å; G42-V46 VanDerWaalsContact O-CB 3.26Å; G42-V46 WeakPolarHBondContact O-CB 3.36Å; G42-V46 WeakPolarHBondContact O-CG2 3.46Å; G42-V46 PolarHBondContact O-N 3.17Å; G42-P47 WeakPolarHBondContact O-CD 3.43Å; G42-C256 VanDerWaalsContact CA-SG 3.55Å
43I96.3Very high94.1Very high103 Ų10368.4 Ų68.453%0.52837%0.372SS..Hα-helixtrans-54.3-36.1177.5-70.7163.9000111.7V39 L41 P47V39-I43 HydrophobicContact CG1-CD1 4.41Å; V39-I43 WeakPolarHBondContact O-CG1 3.14Å; V39-I43 PolarHBondContact O-N 2.93Å; L41-I43 VanDerWaalsContact C-N 3.34Å; L41-I43 PolarHBondContact O-N 2.87Å; I43-P47 WeakPolarHBondContact O-CD 3.35Å; I43-P47 WeakPolarHBondContact O-CG 3.37Å
44F94.9Very high94.4Very high159 Ų15967.8 Ų67.870%0.69736%0.363SS*.Hα-helixtrans-100-46.1-178.6-61-79000112.7L41 G42 L48L41-F44 PolarHBondContact O-N 3.49Å; G42-F44 PolarHBondContact O-N 3.45Å; F44-L48 WeakPolarHBondContact O-CB 3.12Å; F44-L48 PolarHBondContact O-N 3.14Å
45L97.2Very high95Very high32 Ų3270.5 Ų70.517%0.16838%0.375CS..Hα-helixtrans-71.6-42.7-174.1-66.5-179.9000112.2L41 L48 R49 L258L41-L45 HydrophobicContact CB-CD1 4.03Å; L41-L45 HydrophobicContact CD2-CD1 4.5Å; L41-L45 WeakPolarHBondContact O-CB 3.39Å; L41-L45 WeakPolarHBondContact O-CG 3.32Å; L41-L45 PolarHBondContact O-N 3.18Å; L45-L48 PolarHBondContact O-N 3.45Å; L45-R49 WeakPolarHBondContact O-CB 3.27Å; L45-R49 WeakPolarHBondContact O-CG 3.33Å; L45-R49 PolarHBondContact O-N 3.15Å; L45-L258 HydrophobicContact CD1-CD2 4.16Å
46V97.4Very high95.4Very high24 Ų2468 Ų6815%0.14536%0.36CS..Hα-helixtrans-64-50.2-174.21770000111G42 L48 R49 V50 L252 L255G42-V46 VanDerWaalsContact O-CB 3.26Å; G42-V46 WeakPolarHBondContact O-CB 3.36Å; G42-V46 WeakPolarHBondContact O-CG2 3.46Å; G42-V46 PolarHBondContact O-N 3.17Å; V46-L48 PolarHBondContact O-N 3.44Å; V46-R49 PolarHBondContact O-N 2.96Å; V46-V50 HydrophobicContact CG1-CG2 4.15Å; V46-V50 WeakPolarHBondContact O-CB 3.03Å; V46-V50 VanDerWaalsContact O-CG2 3.23Å; V46-V50 WeakPolarHBondContact O-CG2 3.29Å; V46-V50 PolarHBondContact O-N 3.42Å; V46-L252 HydrophobicContact CG1-CD2 4.23Å; V46-L255 HydrophobicContact CG1-CD1 4.47Å; V46-L255 HydrophobicContact CG2-CB 3.9Å
47P97.7Very high95.6Very high69 Ų6964.6 Ų64.645%0.44834%0.343SS..Hα-helixtrans-59-45.5176.9-25.536.1000112.9G42 I43 R49 V50 I51G42-P47 WeakPolarHBondContact O-CD 3.43Å; I43-P47 WeakPolarHBondContact O-CD 3.35Å; I43-P47 WeakPolarHBondContact O-CG 3.37Å; P47-R49 PolarHBondContact O-N 3.22Å; P47-V50 PolarHBondContact O-N 3.46Å; P47-I51 VanDerWaalsContact O-CG1 3.28Å; P47-I51 WeakPolarHBondContact O-CG1 3.22Å; P47-I51 PolarHBondContact O-N 3.44Å
48L97.3Very high95.7Very high97 Ų9763.2 Ų63.251%0.50835%0.345SS..Hα-helixtrans-58.6-49.2178.6176.763.4000111.5F44 L45 V46 I51 L52F44-L48 WeakPolarHBondContact O-CB 3.12Å; F44-L48 PolarHBondContact O-N 3.14Å; L45-L48 PolarHBondContact O-N 3.45Å; V46-L48 PolarHBondContact O-N 3.44Å; L48-I51 PolarHBondContact O-N 2.98Å; L48-L52 HydrophobicContact CD1-CD1 4.24Å; L48-L52 HydrophobicContact CD1-CG 4.43Å; L48-L52 HydrophobicContact CG-CD1 4.17Å; L48-L52 WeakPolarHBondContact O-CG 3.24Å; L48-L52 PolarHBondContact O-N 3.03Å
49R97.8Very high95.9Very high17 Ų1767.4 Ų67.46%0.06437%0.366CS..Hα-helixtrans-65.4-41.7-179.8-69.4-172.5169.9164.92.3111.9L45 V46 P47 I51 L52 M53 A102 M103 T254 L255 Q257 L258L45-R49 WeakPolarHBondContact O-CB 3.27Å; L45-R49 WeakPolarHBondContact O-CG 3.33Å; L45-R49 PolarHBondContact O-N 3.15Å; V46-R49 PolarHBondContact O-N 2.96Å; P47-R49 PolarHBondContact O-N 3.22Å; R49-I51 VanDerWaalsContact C-N 3.31Å; R49-I51 PolarHBondContact O-N 2.9Å; R49-L52 PolarHBondContact O-N 3.38Å; R49-M53 HydrophobicContact CB-SD 4.38Å; R49-M53 WeakPolarHBondContact O-CB 3.29Å; R49-M53 WeakPolarHBondContact O-CG 3.41Å; R49-M53 PolarHBondContact O-N 3.43Å; R49-A102 WeakPolarHBondContact CB-O 3.31Å; R49-A102 WeakPolarHBondContact CD-O 3.5Å; R49-A102 WeakPolarHBondContact CG-O 3.46Å; R49-M103 VanDerWaalsContact CZ-O 3.3Å; R49-M103 PolarHBondContact NE-O 2.96Å; R49-M103 PolarHBondContact NH1-O 3.43Å; R49-M103 VanDerWaalsContact NH1-O 3.07Å; R49-T254 PolarHBondContact NH1-O 2.95Å; R49-L255 HydrophobicContact CB-CD2 4.16Å; R49-L255 VanDerWaalsContact NH1-C 3.34Å; R49-L255 PolarHBondContact NH1-O 2.84Å; R49-Q257 PolarHBondContact NH1-O 3.46Å; R49-Q257 PolarHBondContact NH2-O 3.32Å; R49-L258 PolarHBondContact NH2-O 3.2Å
50V97.1Very high96Very high64 Ų6463.7 Ų63.739%0.38834%0.344SS..Hα-helixtrans-60.2-42.3176.61690000110.9V46 P47 S54 L255V46-V50 HydrophobicContact CG1-CG2 4.15Å; V46-V50 WeakPolarHBondContact O-CB 3.03Å; V46-V50 VanDerWaalsContact O-CG2 3.23Å; V46-V50 WeakPolarHBondContact O-CG2 3.29Å; V46-V50 PolarHBondContact O-N 3.42Å; P47-V50 PolarHBondContact O-N 3.46Å; V50-S54 VanDerWaalsContact O-CB 3.23Å; V50-S54 WeakPolarHBondContact O-CB 3.49Å; V50-S54 PolarHBondContact O-N 2.96Å; V50-S54 PolarHBondContact O-OG 3.19Å; V50-L255 HydrophobicContact CG2-CD1 4.47Å
51I97.8Very high96.1Very high114 Ų11463.5 Ų63.559%0.58534%0.336SS*.Hα-helixtrans-61.9-50.4175.5-68165.1000110.8P47 L48 R49 M53 S54 L55P47-I51 VanDerWaalsContact O-CG1 3.28Å; P47-I51 WeakPolarHBondContact O-CG1 3.22Å; P47-I51 PolarHBondContact O-N 3.44Å; L48-I51 PolarHBondContact O-N 2.98Å; R49-I51 VanDerWaalsContact C-N 3.31Å; R49-I51 PolarHBondContact O-N 2.9Å; I51-M53 PolarHBondContact O-N 3.23Å; I51-S54 PolarHBondContact O-N 2.84Å; I51-L55 PolarHBondContact O-N 3.44Å
52L97.8Very high96.1Very high77 Ų7764.1 Ų64.140%0.40334%0.343SS..Hα-helixtrans-61.5-46.1179.8-68173.9000112.1L48 R49 S54 L55 V56 A102L48-L52 HydrophobicContact CD1-CD1 4.24Å; L48-L52 HydrophobicContact CD1-CG 4.43Å; L48-L52 HydrophobicContact CG-CD1 4.17Å; L48-L52 WeakPolarHBondContact O-CG 3.24Å; L48-L52 PolarHBondContact O-N 3.03Å; R49-L52 PolarHBondContact O-N 3.38Å; L52-S54 VanDerWaalsContact C-N 3.32Å; L52-S54 PolarHBondContact O-N 3.27Å; L52-L55 PolarHBondContact O-N 3.13Å; L52-V56 WeakPolarHBondContact O-CG2 3.43Å; L52-V56 PolarHBondContact O-N 3.37Å; L52-A102 HydrophobicContact CB-CB 3.78Å
53M96.8Very high96.1Very high15 Ų1565 Ų657%0.07435%0.346CS..Hα-helixtrans-60.1-42.4176-74166.668.700111.6R49 I51 V56 L57 Y99 A102 M103 L255R49-M53 HydrophobicContact CB-SD 4.38Å; R49-M53 WeakPolarHBondContact O-CB 3.29Å; R49-M53 WeakPolarHBondContact O-CG 3.41Å; R49-M53 PolarHBondContact O-N 3.43Å; I51-M53 PolarHBondContact O-N 3.23Å; M53-V56 PolarHBondContact O-N 3.27Å; M53-L57 WeakPolarHBondContact O-CG 3.38Å; M53-L57 PolarHBondContact O-N 3.06Å; M53-Y99 HydrophobicContact CB-CD2 4.09Å; M53-Y99 HydrophobicContact CB-CE2 3.64Å; M53-Y99 HydrophobicContact CE-CE1 4.18Å; M53-Y99 HydrophobicContact CE-CE2 3.88Å; M53-Y99 VanDerWaalsContact CE-CZ 3.48Å; M53-Y99 WeakPolarHBondContact CE-OH 3.35Å; M53-Y99 HydrophobicContact CG-CD2 4.24Å; M53-Y99 HydrophobicContact CG-CE2 3.94Å; M53-A102 HydrophobicContact CG-CB 4.02Å; M53-M103 HydrophobicContact CE-CE 4.47Å; M53-M103 HydrophobicContact CE-CG 3.46Å; M53-M103 VanDerWaalsContact CE-CG 3.46Å; M53-M103 HydrophobicContact CE-SD 4.02Å; M53-M103 HydrophobicContact CG-CG 3.77Å; M53-M103 HydrophobicContact SD-CB 4.34Å; M53-M103 HydrophobicContact SD-CG 3.36Å; M53-M103 WeakPolarHBondContact SD-CG 3.07Å; M53-L255 HydrophobicContact SD-CD2 3.82Å
54S95.5Very high96.1Very high56 Ų5660.1 Ų60.139%0.39232%0.321SS..Hα-helixtrans-64.6-42.2178.4-600000111V50 I51 L52 V56 L57 T58V50-S54 VanDerWaalsContact O-CB 3.23Å; V50-S54 WeakPolarHBondContact O-CB 3.49Å; V50-S54 PolarHBondContact O-N 2.96Å; V50-S54 PolarHBondContact O-OG 3.19Å; I51-S54 PolarHBondContact O-N 2.84Å; L52-S54 VanDerWaalsContact C-N 3.32Å; L52-S54 PolarHBondContact O-N 3.27Å; S54-V56 PolarHBondContact O-N 3.22Å; S54-L57 PolarHBondContact O-N 2.92Å; S54-T58 WeakPolarHBondContact O-CG2 3.35Å; S54-T58 PolarHBondContact O-N 2.86Å; S54-T58 PolarHBondContact O-OG1 2.77Å
55L96.6Very high96Very high100 Ų10056.3 Ų56.352%0.52430%0.304SS..Hα-helixtrans-62.5-40.6175.6-177.4144.2000112.1I51 L52 T58 L59I51-L55 PolarHBondContact O-N 3.44Å; L52-L55 PolarHBondContact O-N 3.13Å; L55-T58 PolarHBondContact O-OG1 2.61Å; L55-L59 HydrophobicContact CD2-CD1 4.03Å; L55-L59 WeakPolarHBondContact O-CG 3.34Å; L55-L59 PolarHBondContact O-N 2.81Å
56V96.9Very high95.9Very high17 Ų1759.2 Ų59.210%0.10332%0.319CS..Hα-helixtrans-66.6-40.3175.2177.10000110.9L52 M53 S54 L59 T60 L95 A98 Y99L52-V56 WeakPolarHBondContact O-CG2 3.43Å; L52-V56 PolarHBondContact O-N 3.37Å; M53-V56 PolarHBondContact O-N 3.27Å; S54-V56 PolarHBondContact O-N 3.22Å; V56-L59 PolarHBondContact O-N 2.89Å; V56-T60 WeakPolarHBondContact O-CB 3.48Å; V56-T60 PolarHBondContact O-N 2.68Å; V56-T60 PolarHBondContact O-OG1 3.04Å; V56-L95 VanDerWaalsContact CG1-O 3.29Å; V56-L95 WeakPolarHBondContact CG1-O 3.15Å; V56-A98 HydrophobicContact CG1-CB 4.48Å; V56-A98 HydrophobicContact CG2-CB 4.38Å; V56-Y99 HydrophobicContact CB-CD2 4.41Å; V56-Y99 HydrophobicContact CG1-CD2 4.41Å
57L94.2Very high95.7Very high32 Ų3258.1 Ų58.117%0.16831%0.312CS..Hα-helixtrans-66.3-39.8178.9-77.4173000113.1M53 S54 L59 T60 W61 Y99 V155 F156 I159M53-L57 WeakPolarHBondContact O-CG 3.38Å; M53-L57 PolarHBondContact O-N 3.06Å; S54-L57 PolarHBondContact O-N 2.92Å; L57-L59 PolarHBondContact O-N 2.82Å; L57-T60 PolarHBondContact O-N 3.11Å; L57-W61 PolarHBondContact O-N 3.38Å; L57-Y99 HydrophobicContact CD1-CD2 4.47Å; L57-Y99 HydrophobicContact CD1-CE2 3.58Å; L57-Y99 HydrophobicContact CD2-CD2 4.26Å; L57-Y99 HydrophobicContact CD2-CE2 3.97Å; L57-Y99 HydrophobicContact CG-CD2 3.94Å; L57-Y99 HydrophobicContact CG-CE2 3.52Å; L57-V155 HydrophobicContact CD2-CG1 4.32Å; L57-F156 HydrophobicContact CD1-CZ 4.13Å; L57-F156 HydrophobicContact CD2-CE1 4.13Å; L57-F156 HydrophobicContact CD2-CZ 4.11Å; L57-I159 HydrophobicContact CD2-CD1 4.04Å
58T93.3Very high95.5Very high96 Ų9655 Ų5559%0.58929%0.293SS*.Hα-helixtrans-64.8-30.417754.20000112.1S54 L55 P62S54-T58 WeakPolarHBondContact O-CG2 3.35Å; S54-T58 PolarHBondContact O-N 2.86Å; S54-T58 PolarHBondContact O-OG1 2.77Å; L55-T58 PolarHBondContact O-OG1 2.61Å; T58-P62 WeakPolarHBondContact O-CD 3.25Å; T58-P62 WeakPolarHBondContact O-CG 3.13Å
59L94.4Very high95.2Very high97 Ų9755.1 Ų55.151%0.50829%0.289SS..Hα-helixtrans-77.5-37.7171.4-65.8173.1000112.7L55 V56 L57 P62 V63L55-L59 HydrophobicContact CD2-CD1 4.03Å; L55-L59 WeakPolarHBondContact O-CG 3.34Å; L55-L59 PolarHBondContact O-N 2.81Å; V56-L59 PolarHBondContact O-N 2.89Å; L57-L59 PolarHBondContact O-N 2.82Å; L59-P62 WeakPolarHBondContact O-CD 3.21Å; L59-V63 WeakPolarHBondContact O-CG2 3.45Å
60T95.2Very high94.6Very high8 Ų862.7 Ų62.75%0.04932%0.322CS..Hα-helixtrans-70.7-37.4-175.6-56.10000112.3V56 L57 V63 A64 M92 L95 I159V56-T60 WeakPolarHBondContact O-CB 3.48Å; V56-T60 PolarHBondContact O-N 2.68Å; V56-T60 PolarHBondContact O-OG1 3.04Å; L57-T60 PolarHBondContact O-N 3.11Å; T60-V63 PolarHBondContact O-N 3.2Å; T60-A64 WeakPolarHBondContact O-CB 3.47Å; T60-A64 PolarHBondContact O-N 3Å; T60-M92 HydrophobicContact CG2-CE 3.52Å; T60-M92 HydrophobicContact CG2-SD 4.03Å; T60-L95 HydrophobicContact CG2-CB 4.49Å; T60-L95 HydrophobicContact CG2-CD1 4.48Å; T60-I159 HydrophobicContact CG2-CD1 3.73Å; T60-I159 HydrophobicContact CG2-CG1 4.02Å
61W94.4Very high94.1Very high102 Ų10262.6 Ų62.639%0.38632%0.318SS..Hα-helixtrans-64.7-46.8-174.3-175.392000114.3L57 V63 A64 F65 V155L57-W61 PolarHBondContact O-N 3.38Å; W61-V63 VanDerWaalsContact C-N 3.31Å; W61-V63 PolarHBondContact O-N 3.49Å; W61-A64 PolarHBondContact O-N 2.89Å; W61-F65 AromaticContact CH2-CD2 3.91Å; W61-F65 HydrophobicContact CH2-CD2 3.91Å; W61-F65 HydrophobicContact CZ2-CD2 4.29Å; W61-F65 HydrophobicContact CZ3-CB 4.45Å; W61-F65 HydrophobicContact CZ3-CD2 4.43Å; W61-F65 WeakPolarHBondContact O-CB 3.4Å; W61-F65 PolarHBondContact O-N 2.93Å; W61-V155 HydrophobicContact CB-CG1 4.26Å; W61-V155 HydrophobicContact CG-CG1 4.38Å
62P95.3Very high93.4Very high58 Ų5860.1 Ų60.138%0.37731%0.309SS..Hα-helixtrans-60.5-39.2174.8-2433.5000112.7T58 L59 F65 I66T58-P62 WeakPolarHBondContact O-CD 3.25Å; T58-P62 WeakPolarHBondContact O-CG 3.13Å; L59-P62 WeakPolarHBondContact O-CD 3.21Å; P62-F65 WeakPolarHBondContact O-CB 3.27Å; P62-F65 PolarHBondContact O-N 3.32Å; P62-I66 WeakPolarHBondContact O-CG1 3.28Å; P62-I66 PolarHBondContact O-N 3Å
63V95.5Very high92.2Very high28 Ų2859 Ų5917%0.1730%0.303CS..Hα-helixtrans-62.3-49.1176.41780000110.2L59 T60 W61 F65 I66 I67 M87 V91 M92 L95L59-V63 WeakPolarHBondContact O-CG2 3.45Å; T60-V63 PolarHBondContact O-N 3.2Å; W61-V63 VanDerWaalsContact C-N 3.31Å; W61-V63 PolarHBondContact O-N 3.49Å; V63-F65 VanDerWaalsContact C-N 3.27Å; V63-F65 PolarHBondContact O-N 3.24Å; V63-I66 PolarHBondContact O-N 3.49Å; V63-I67 HydrophobicContact CG1-CD1 3.78Å; V63-I67 HydrophobicContact CG1-CG1 4.44Å; V63-I67 VanDerWaalsContact O-CG1 3.27Å; V63-I67 WeakPolarHBondContact O-CG1 3.26Å; V63-I67 PolarHBondContact O-N 3.25Å; V63-M87 HydrophobicContact CG1-CE 3.66Å; V63-V91 HydrophobicContact CG1-CG1 4.09Å; V63-M92 HydrophobicContact CB-SD 4.14Å; V63-M92 HydrophobicContact CG1-CG 4.33Å; V63-M92 HydrophobicContact CG1-SD 3.68Å; V63-L95 HydrophobicContact CG2-CD1 4.33Å
64A94.5Very high90.9Very high0 Ų065.4 Ų65.40%033%0.331CS..Hα-helixtrans-59.4-38.6175.300000112T60 W61 T68 M92 R158 I159T60-A64 WeakPolarHBondContact O-CB 3.47Å; T60-A64 PolarHBondContact O-N 3Å; W61-A64 PolarHBondContact O-N 2.89Å; A64-T68 WeakPolarHBondContact O-CB 3.25Å; A64-T68 WeakPolarHBondContact O-CG2 3.3Å; A64-T68 PolarHBondContact O-N 3.37Å; A64-T68 PolarHBondContact O-OG1 3.25Å; A64-M92 HydrophobicContact CB-CE 4.02Å; A64-M92 HydrophobicContact CB-SD 4.34Å; A64-R158 HydrophobicContact CB-CG 4.1Å; A64-I159 HydrophobicContact CB-CG1 4.12Å
65F93.9Very high89.7Confident79 Ų7966.3 Ų66.335%0.34635%0.349SS..Hα-helixtrans-60.3-48.2175.9179.7-81.6000111.8W61 P62 V63 T68 F69W61-F65 AromaticContact CH2-CD2 3.91Å; W61-F65 HydrophobicContact CH2-CD2 3.91Å; W61-F65 HydrophobicContact CZ2-CD2 4.29Å; W61-F65 HydrophobicContact CZ3-CB 4.45Å; W61-F65 HydrophobicContact CZ3-CD2 4.43Å; W61-F65 WeakPolarHBondContact O-CB 3.4Å; W61-F65 PolarHBondContact O-N 2.93Å; P62-F65 WeakPolarHBondContact O-CB 3.27Å; P62-F65 PolarHBondContact O-N 3.32Å; V63-F65 VanDerWaalsContact C-N 3.27Å; V63-F65 PolarHBondContact O-N 3.24Å; F65-T68 PolarHBondContact O-N 2.61Å; F65-F69 HydrophobicContact CE1-CD2 4.05Å; F65-F69 HydrophobicContact CZ-CD2 4.18Å; F65-F69 PolarHBondContact O-N 2.94Å
66I94.8Very high88.5Confident94 Ų9465.8 Ų65.848%0.48236%0.359SS..Hα-helixtrans-62.8-48.3179.2-67.9164.8000110.6P62 V63 T68 F69 W83P62-I66 WeakPolarHBondContact O-CG1 3.28Å; P62-I66 PolarHBondContact O-N 3Å; V63-I66 PolarHBondContact O-N 3.49Å; I66-T68 VanDerWaalsContact C-N 3.25Å; I66-T68 PolarHBondContact O-N 2.97Å; I66-F69 WeakPolarHBondContact O-CB 3.45Å; I66-F69 PolarHBondContact O-N 3.33Å; I66-W83 HydrophobicContact CG2-CH2 3.8Å; I66-W83 HydrophobicContact CG2-CZ3 3.96Å
67I93.7Very high87.9Confident0 Ų066.3 Ų66.30%036%0.362CS..Hα-helixtrans-57.6-40.3179.1-69.1168.2000111.5V63 M80 R84 M87 C88 M92V63-I67 HydrophobicContact CG1-CD1 3.78Å; V63-I67 HydrophobicContact CG1-CG1 4.44Å; V63-I67 VanDerWaalsContact O-CG1 3.27Å; V63-I67 WeakPolarHBondContact O-CG1 3.26Å; V63-I67 PolarHBondContact O-N 3.25Å; I67-M80 HydrophobicContact CG2-CE 3.94Å; I67-M80 HydrophobicContact CG2-SD 3.65Å; I67-R84 PolarHBondContact O-NH1 3.27Å; I67-M87 HydrophobicContact CD1-CB 3.72Å; I67-M87 HydrophobicContact CG1-CB 3.76Å; I67-C88 VanDerWaalsContact CG2-SG 3.57Å; I67-M92 HydrophobicContact CD1-CG 3.36Å; I67-M92 HydrophobicContact CD1-SD 3.94Å
68T91.9Very high87.6Confident5 Ų569.5 Ų69.53%0.03138%0.376CS..THydrogen-bonded Turntrans-101.410.3-171.661.20000112.8A64 F65 I66 K70 Q71 M80 R158 R161A64-T68 WeakPolarHBondContact O-CB 3.25Å; A64-T68 WeakPolarHBondContact O-CG2 3.3Å; A64-T68 PolarHBondContact O-N 3.37Å; A64-T68 PolarHBondContact O-OG1 3.25Å; F65-T68 PolarHBondContact O-N 2.61Å; I66-T68 VanDerWaalsContact C-N 3.25Å; I66-T68 PolarHBondContact O-N 2.97Å; T68-K70 PolarHBondContact O-N 3.44Å; T68-Q71 PolarHBondContact O-N 2.97Å; T68-M80 HydrophobicContact CG2-CE 4.21Å; T68-R158 PolarHBondContact O-NH1 3.45Å; T68-R158 VanDerWaalsContact OG1-CD 3.27Å; T68-R158 WeakPolarHBondContact OG1-CD 3.37Å; T68-R158 VanDerWaalsContact OG1-CZ 3.27Å; T68-R158 PolarHBondContact OG1-NE 2.86Å; T68-R158 PolarHBondContact OG1-NH1 3.38Å; T68-R161 HydrophobicContact CG2-CB 3.71Å
69F91.3Very high87.5Confident98 Ų9865.4 Ų65.443%0.4335%0.351SS..THydrogen-bonded Turntrans-65.1127.7176.3-173.2-107.8000110.7F65 I66 Q71 R84F65-F69 HydrophobicContact CE1-CD2 4.05Å; F65-F69 HydrophobicContact CZ-CD2 4.18Å; F65-F69 PolarHBondContact O-N 2.94Å; I66-F69 WeakPolarHBondContact O-CB 3.45Å; I66-F69 PolarHBondContact O-N 3.33Å; F69-Q71 PolarHBondContact O-N 3.18Å; F69-R84 PolarHBondContact O-NH1 3.44Å; F69-R84 PolarHBondContact O-NH2 3.26Å
70K86.4Confident87.4Confident177 Ų17761.6 Ų61.677%0.7733%0.331SS*.THydrogen-bonded Turntrans55.824.9-176.9-65.2-175.7174-173.80115.8T68T68-K70 PolarHBondContact O-N 3.44Å
71Q86.6Confident87.2Confident61 Ų6166.2 Ų66.229%0.28536%0.359SS..  trans-88.8130.1173.1-72.3-67.4-42.500111.2T68 F69T68-Q71 PolarHBondContact O-N 2.97Å; F69-Q71 PolarHBondContact O-N 3.18Å
72P82.4Confident87.1Confident63 Ų6364.1 Ų64.141%0.40937%0.369SS..  trans-67.7143.817229.3-33.1000110.4
73L72.3Confident87.1Confident53 Ų5367.9 Ų67.928%0.27738%0.376SS..SBendtrans-109.3-14.9178.5-71.9166000113.6L151 R161L73-L151 HydrophobicContact CD1-CD1 4.46Å; L73-R161 HydrophobicContact CD1-CG 4.11Å; L73-R161 VanDerWaalsContact CD1-CZ 3.45Å; L73-R161 HydrophobicContact CD2-CB 4.01Å; L73-R161 HydrophobicContact CD2-CG 3.59Å; L73-R161 HydrophobicContact CG-CG 4.48Å
74K69.4Low87Confident150 Ų15068.6 Ų68.665%0.65238%0.376SS*.SBendtrans-138.8155.1177.9-69.1-173176.3-174.10108.2L167K74-L167 HydrophobicContact CG-CD1 4.2Å
75G71.1Confident86.9Confident75 Ų7573.5 Ų73.577%0.77339%0.394SS*.SBendtrans82.7-137.2-176.400000112.2V77G75-V77 PolarHBondContact O-N 3.42Å
76A70.7Confident86.9Confident88 Ų8875.4 Ų75.473%0.72740%0.403SS*.SBendtrans-73.971-178.300000112.1
77V84.3Confident87Confident28 Ų2873.2 Ų73.217%0.1739%0.391CS..PPolyproline II helixtrans-79122.1173-172.70000108.3G75 W193G75-V77 PolarHBondContact O-N 3.42Å; V77-W193 HydrophobicContact CG1-CH2 4.07Å; V77-W193 VanDerWaalsContact O-CZ2 3.26Å; V77-W193 WeakPolarHBondContact O-CZ2 3.21Å
78E88.8Confident86.9Confident99 Ų9973.6 Ų73.646%0.46339%0.394SS..PPolyproline II helixtrans-99.9151.3174.1-72.5-63.6150.500110.8Q164 R192E78-Q164 PolarHBondContact O-NE2 2.95Å; E78-R192 IonicContact OE2-CZ 3.99Å; E78-R192 IonicContact OE2-NE 3.34Å; E78-R192 IonicContact OE2-NH2 2.62Å; E78-R192 PolarHBondContact OE2-NH2 3.03Å
79P91.5Very high86.9Confident10 Ų1076.6 Ų76.67%0.06541%0.407CS..PPolyproline II helixtrans-65144.5179.223.4-26000111T81 R192 W193P79-T81 PolarHBondContact O-N 2.74Å; P79-R192 HydrophobicContact CG-CG 3.99Å; P79-W193 HydrophobicContact CB-CD2 3.75Å; P79-W193 HydrophobicContact CB-CE3 3.88Å; P79-W193 HydrophobicContact CB-CG 4.24Å; P79-W193 HydrophobicContact CB-CH2 4.27Å; P79-W193 HydrophobicContact CB-CZ2 4.19Å; P79-W193 HydrophobicContact CB-CZ3 4.13Å; P79-W193 HydrophobicContact CG-CD2 4.14Å; P79-W193 HydrophobicContact CG-CG 4.38Å; P79-W193 HydrophobicContact CG-CZ2 4.28Å
80M90.8Very high87.1Confident17 Ų1779.8 Ų79.88%0.08442%0.416CS..PPolyproline II helixtrans-63.5133.8174.7-70-170.4-165.200110.5I67 T68 R84 C88 Q164I67-M80 HydrophobicContact CG2-CE 3.94Å; I67-M80 HydrophobicContact CG2-SD 3.65Å; T68-M80 HydrophobicContact CG2-CE 4.21Å; M80-R84 HydrophobicContact CB-CB 4.18Å; M80-R84 HydrophobicContact CG-CB 4.37Å; M80-R84 HydrophobicContact SD-CB 4.15Å; M80-C88 VanDerWaalsContact SD-SG 3.62Å; M80-Q164 HydrophobicContact CE-CG 3.74Å; M80-Q164 HydrophobicContact CG-CG 4.16Å
81T91.4Very high87.5Confident105 Ų10573.6 Ų73.664%0.64439%0.393SS*.  trans-125.5169.2179.359.40000111.6P79 W83 R84 R85P79-T81 PolarHBondContact O-N 2.74Å; T81-W83 PolarHBondContact O-N 3.33Å; T81-R84 PolarHBondContact O-N 3.41Å; T81-R85 PolarHBondContact O-N 2.84Å
82G93.4Very high88Confident58 Ų5871 Ų7160%0.59838%0.381SS*.Hα-helixtrans55.7-131.7174.700000113.5R84 R85 F86G82-R84 VanDerWaalsContact C-N 3.29Å; G82-R84 PolarHBondContact O-N 2.92Å; G82-R85 PolarHBondContact O-N 3.12Å; G82-F86 PolarHBondContact O-N 2.95Å; G82-F86 VanDerWaalsContact O-N 3.12Å
83W94.6Very high88.6Confident137 Ų13769 Ų6952%0.51937%0.368SS..Hα-helixtrans-62.4-32.5-176.673.2-96000113.2I66 T81 F86 M87I66-W83 HydrophobicContact CG2-CH2 3.8Å; I66-W83 HydrophobicContact CG2-CZ3 3.96Å; T81-W83 PolarHBondContact O-N 3.33Å; W83-F86 PolarHBondContact O-N 3.16Å; W83-M87 HydrophobicContact CE3-CG 3.79Å; W83-M87 HydrophobicContact CZ3-CG 4.19Å; W83-M87 WeakPolarHBondContact O-CB 3.46Å; W83-M87 WeakPolarHBondContact O-CG 3.49Å; W83-M87 PolarHBondContact O-N 3.32Å
84R94.1Very high89.8Confident44 Ų4469.3 Ų69.317%0.16638%0.378CS..Hα-helixtrans-66.5-43.2179.4-67.9-175.2-174.8-134.56.8110.9I67 F69 M80 T81 G82 M87 C88I67-R84 PolarHBondContact O-NH1 3.27Å; F69-R84 PolarHBondContact O-NH1 3.44Å; F69-R84 PolarHBondContact O-NH2 3.26Å; M80-R84 HydrophobicContact CB-CB 4.18Å; M80-R84 HydrophobicContact CG-CB 4.37Å; M80-R84 HydrophobicContact SD-CB 4.15Å; T81-R84 PolarHBondContact O-N 3.41Å; G82-R84 VanDerWaalsContact C-N 3.29Å; G82-R84 PolarHBondContact O-N 2.92Å; R84-M87 PolarHBondContact O-N 3.11Å; R84-C88 PolarHBondContact O-N 3.36Å
85R92.1Very high91.1Very high103 Ų10363.8 Ų63.839%0.38936%0.355SS..Hα-helixtrans-60.5-47.5174.7-174.3174175169.61.6111.2T81 G82 M87 C88 E89T81-R85 PolarHBondContact O-N 2.84Å; G82-R85 PolarHBondContact O-N 3.12Å; R85-M87 VanDerWaalsContact C-N 3.35Å; R85-M87 PolarHBondContact O-N 3.07Å; R85-C88 PolarHBondContact O-N 3.25Å; R85-E89 HydrophobicContact CG-CG 4.29Å; R85-E89 IonicContact CZ-OE1 3.39Å; R85-E89 IonicContact NE-OE1 2.74Å; R85-E89 PolarHBondContact NE-OE1 3Å; R85-E89 IonicContact NH2-OE1 3.13Å; R85-E89 PolarHBondContact NH2-OE1 2.75Å; R85-E89 VanDerWaalsContact NH2-OE1 3.13Å; R85-E89 WeakPolarHBondContact O-CB 3.28Å; R85-E89 WeakPolarHBondContact O-CG 3.42Å; R85-E89 PolarHBondContact O-N 2.89Å
86F94.3Very high92.3Very high119 Ų11960.9 Ų60.952%0.52233%0.325SS..Hα-helixtrans-57.7-46.3175.7175.2-92.2000112.2G82 W83 C88 E89 R90G82-F86 PolarHBondContact O-N 2.95Å; G82-F86 VanDerWaalsContact O-N 3.12Å; W83-F86 PolarHBondContact O-N 3.16Å; F86-C88 VanDerWaalsContact C-N 3.34Å; F86-C88 PolarHBondContact O-N 2.91Å; F86-E89 PolarHBondContact O-N 2.78Å; F86-R90 HydrophobicContact CD2-CG 3.95Å; F86-R90 HydrophobicContact CE2-CB 4.37Å; F86-R90 HydrophobicContact CE2-CG 3.78Å; F86-R90 HydrophobicContact CZ-CB 4.36Å; F86-R90 HydrophobicContact CZ-CG 4.26Å; F86-R90 WeakPolarHBondContact O-CB 3.44Å; F86-R90 PolarHBondContact O-N 3.08Å
87M95.4Very high93.6Very high47 Ų4759.7 Ų59.723%0.23231%0.305CS..Iπ-helixtrans-63.1-39.1178.5-71.2-65.5-6900112.1V63 I67 W83 R84 R85 V91 M92V63-M87 HydrophobicContact CG1-CE 3.66Å; I67-M87 HydrophobicContact CD1-CB 3.72Å; I67-M87 HydrophobicContact CG1-CB 3.76Å; W83-M87 HydrophobicContact CE3-CG 3.79Å; W83-M87 HydrophobicContact CZ3-CG 4.19Å; W83-M87 WeakPolarHBondContact O-CB 3.46Å; W83-M87 WeakPolarHBondContact O-CG 3.49Å; W83-M87 PolarHBondContact O-N 3.32Å; R84-M87 PolarHBondContact O-N 3.11Å; R85-M87 VanDerWaalsContact C-N 3.35Å; R85-M87 PolarHBondContact O-N 3.07Å; M87-V91 HydrophobicContact CE-CB 4.2Å; M87-V91 HydrophobicContact CE-CG1 4.18Å; M87-V91 HydrophobicContact CE-CG2 4.1Å; M87-V91 WeakPolarHBondContact O-CA 3.09Å; M87-V91 VanDerWaalsContact O-CB 3.31Å; M87-V91 WeakPolarHBondContact O-CB 3.31Å; M87-V91 PolarHBondContact O-N 3.18Å; M87-V91 VanDerWaalsContact O-N 3.1Å; M87-V91 HydrophobicContact SD-CB 4.31Å; M87-V91 HydrophobicContact SD-CG2 3.7Å; M87-M92 PolarHBondContact O-N 3.09Å
88C93.1Very high94.2Very high9 Ų960.2 Ų60.26%0.06131%0.313CS..Iπ-helixtrans-63-64171.2-73.40000110.9I67 M80 R84 R85 F86 R90 M92 T93 L141I67-C88 VanDerWaalsContact CG2-SG 3.57Å; M80-C88 VanDerWaalsContact SD-SG 3.62Å; R84-C88 PolarHBondContact O-N 3.36Å; R85-C88 PolarHBondContact O-N 3.25Å; F86-C88 VanDerWaalsContact C-N 3.34Å; F86-C88 PolarHBondContact O-N 2.91Å; C88-R90 VanDerWaalsContact C-N 3.27Å; C88-R90 PolarHBondContact O-N 3.07Å; C88-M92 WeakPolarHBondContact O-CB 3.42Å; C88-M92 PolarHBondContact O-N 2.92Å; C88-T93 PolarHBondContact O-N 3.15Å; C88-T93 PolarHBondContact O-OG1 3.39Å; C88-L141 HydrophobicContact CB-CD1 4.08Å; C88-L141 WeakPolarHBondContact O-CD1 3.06Å
89E91.3Very high94.7Very high67 Ų6757.5 Ų57.531%0.31330%0.299SS..Iπ-helixtrans-61.1-34.3-169.6-71.5179.5177.500113.1R85 F86 T93R85-E89 HydrophobicContact CG-CG 4.29Å; R85-E89 IonicContact CZ-OE1 3.39Å; R85-E89 IonicContact NE-OE1 2.74Å; R85-E89 PolarHBondContact NE-OE1 3Å; R85-E89 IonicContact NH2-OE1 3.13Å; R85-E89 PolarHBondContact NH2-OE1 2.75Å; R85-E89 VanDerWaalsContact NH2-OE1 3.13Å; R85-E89 WeakPolarHBondContact O-CB 3.28Å; R85-E89 WeakPolarHBondContact O-CG 3.42Å; R85-E89 PolarHBondContact O-N 2.89Å; F86-E89 PolarHBondContact O-N 2.78Å; E89-T93 WeakPolarHBondContact O-CB 3.33Å; E89-T93 PolarHBondContact O-OG1 2.95Å
90R94.7Very high95Very high166 Ų16658 Ų5863%0.62630%0.3SS*.Iπ-helixtrans-101.8-59.3-176.6-56.2-57.6178.9127.5-3.4112.5F86 C88 A94F86-R90 HydrophobicContact CD2-CG 3.95Å; F86-R90 HydrophobicContact CE2-CB 4.37Å; F86-R90 HydrophobicContact CE2-CG 3.78Å; F86-R90 HydrophobicContact CZ-CB 4.36Å; F86-R90 HydrophobicContact CZ-CG 4.26Å; F86-R90 WeakPolarHBondContact O-CB 3.44Å; F86-R90 PolarHBondContact O-N 3.08Å; C88-R90 VanDerWaalsContact C-N 3.27Å; C88-R90 PolarHBondContact O-N 3.07Å; R90-A94 WeakPolarHBondContact O-CB 3.48Å; R90-A94 PolarHBondContact O-N 3.14Å
91V96.4Very high95.3Very high46 Ų4664.9 Ų64.928%0.27933%0.329SS..Iπ-helixtrans-75.1-51.5-169.6-1780000111.1V63 M87 T93 A94 L95V63-V91 HydrophobicContact CG1-CG1 4.09Å; M87-V91 HydrophobicContact CE-CB 4.2Å; M87-V91 HydrophobicContact CE-CG1 4.18Å; M87-V91 HydrophobicContact CE-CG2 4.1Å; M87-V91 WeakPolarHBondContact O-CA 3.09Å; M87-V91 VanDerWaalsContact O-CB 3.31Å; M87-V91 WeakPolarHBondContact O-CB 3.31Å; M87-V91 PolarHBondContact O-N 3.18Å; M87-V91 VanDerWaalsContact O-N 3.1Å; M87-V91 HydrophobicContact SD-CB 4.31Å; M87-V91 HydrophobicContact SD-CG2 3.7Å; V91-T93 VanDerWaalsContact C-N 3.35Å; V91-T93 PolarHBondContact O-N 3.06Å; V91-A94 PolarHBondContact O-N 2.84Å; V91-L95 HydrophobicContact CG1-CD1 3.96Å; V91-L95 HydrophobicContact CG1-CG 4.48Å; V91-L95 WeakPolarHBondContact O-CB 3.5Å; V91-L95 WeakPolarHBondContact O-CG 3.38Å; V91-L95 PolarHBondContact O-N 3.47Å
92M95.8Very high95.6Very high6 Ų660.3 Ų60.33%0.0330%0.302CS..Iπ-helixtrans-66.3-37.8179.8-68.9-64.5-6000111.7T60 V63 A64 I67 M87 C88 G96 L141 I159T60-M92 HydrophobicContact CG2-CE 3.52Å; T60-M92 HydrophobicContact CG2-SD 4.03Å; V63-M92 HydrophobicContact CB-SD 4.14Å; V63-M92 HydrophobicContact CG1-CG 4.33Å; V63-M92 HydrophobicContact CG1-SD 3.68Å; A64-M92 HydrophobicContact CB-CE 4.02Å; A64-M92 HydrophobicContact CB-SD 4.34Å; I67-M92 HydrophobicContact CD1-CG 3.36Å; I67-M92 HydrophobicContact CD1-SD 3.94Å; M87-M92 PolarHBondContact O-N 3.09Å; C88-M92 WeakPolarHBondContact O-CB 3.42Å; C88-M92 PolarHBondContact O-N 2.92Å; M92-G96 PolarHBondContact O-N 3.19Å; M92-L141 HydrophobicContact CB-CD1 3.42Å; M92-L141 VanDerWaalsContact CB-CD1 3.42Å; M92-I159 HydrophobicContact CE-CG1 4.43Å; M92-I159 HydrophobicContact CE-CG2 3.93Å
93T95.9Very high95.8Very high22 Ų2257.8 Ų57.814%0.13528%0.275CS..Hα-helixtrans-60.2-48.2171.9-56.60000111.6C88 E89 V91 L95 G96 M97 L137C88-T93 PolarHBondContact O-N 3.15Å; C88-T93 PolarHBondContact O-OG1 3.39Å; E89-T93 WeakPolarHBondContact O-CB 3.33Å; E89-T93 PolarHBondContact O-OG1 2.95Å; V91-T93 VanDerWaalsContact C-N 3.35Å; V91-T93 PolarHBondContact O-N 3.06Å; T93-L95 PolarHBondContact O-N 2.86Å; T93-G96 PolarHBondContact O-N 2.99Å; T93-M97 HydrophobicContact CG2-CG 4.39Å; T93-M97 WeakPolarHBondContact O-CB 3.35Å; T93-M97 VanDerWaalsContact O-CG 3.27Å; T93-M97 WeakPolarHBondContact O-CG 3.38Å; T93-M97 PolarHBondContact O-N 3Å; T93-L137 VanDerWaalsContact CG2-O 3.24Å; T93-L137 WeakPolarHBondContact CG2-O 3.41Å
94A97.1Very high95.9Very high59 Ų5951.8 Ų51.849%0.48826%0.255SS..Hα-helixtrans-62.4-43.6179.300000112.3R90 V91 M97 A98R90-A94 WeakPolarHBondContact O-CB 3.48Å; R90-A94 PolarHBondContact O-N 3.14Å; V91-A94 PolarHBondContact O-N 2.84Å; A94-M97 PolarHBondContact O-N 2.96Å; A94-A98 WeakPolarHBondContact O-CB 3.26Å; A94-A98 PolarHBondContact O-N 3.48Å
95L97.1Very high96.1Very high34 Ų3450 Ų5018%0.17825%0.249CC..Hα-helixtrans-64.3-41.8175.9-70.8172000111.9V56 T60 V63 V91 T93 A98 Y99V56-L95 VanDerWaalsContact CG1-O 3.29Å; V56-L95 WeakPolarHBondContact CG1-O 3.15Å; T60-L95 HydrophobicContact CG2-CB 4.49Å; T60-L95 HydrophobicContact CG2-CD1 4.48Å; V63-L95 HydrophobicContact CG2-CD1 4.33Å; V91-L95 HydrophobicContact CG1-CD1 3.96Å; V91-L95 HydrophobicContact CG1-CG 4.48Å; V91-L95 WeakPolarHBondContact O-CB 3.5Å; V91-L95 WeakPolarHBondContact O-CG 3.38Å; V91-L95 PolarHBondContact O-N 3.47Å; T93-L95 PolarHBondContact O-N 2.86Å; L95-A98 PolarHBondContact O-N 2.89Å; L95-Y99 PolarHBondContact O-N 3.12Å
96G96.3Very high96.3Very high14 Ų1452.8 Ų52.814%0.14426%0.259CS..Hα-helixtrans-62.3-43.517400000112.3M92 T93 A98 Y99 Y100 L137M92-G96 PolarHBondContact O-N 3.19Å; T93-G96 PolarHBondContact O-N 2.99Å; G96-A98 VanDerWaalsContact C-N 3.34Å; G96-A98 PolarHBondContact O-N 3.31Å; G96-Y99 WeakPolarHBondContact O-CB 3.46Å; G96-Y99 PolarHBondContact O-N 3.26Å; G96-Y100 WeakPolarHBondContact O-CD2 3.39Å; G96-Y100 PolarHBondContact O-N 3.22Å; G96-L137 VanDerWaalsContact C-CD1 3.42Å
97M97.4Very high96.5Very high63 Ų6348.9 Ų48.931%0.3125%0.245SC..Hα-helixtrans-64.3-39.7175.8-71-63.8-69.900111.6T93 A94 Y99 Y100 F101 V107 I134 L137 V138T93-M97 HydrophobicContact CG2-CG 4.39Å; T93-M97 WeakPolarHBondContact O-CB 3.35Å; T93-M97 VanDerWaalsContact O-CG 3.27Å; T93-M97 WeakPolarHBondContact O-CG 3.38Å; T93-M97 PolarHBondContact O-N 3Å; A94-M97 PolarHBondContact O-N 2.96Å; M97-Y99 VanDerWaalsContact C-N 3.31Å; M97-Y99 PolarHBondContact O-N 2.92Å; M97-Y100 PolarHBondContact O-N 2.83Å; M97-F101 WeakPolarHBondContact O-CB 3.33Å; M97-F101 PolarHBondContact O-N 2.6Å; M97-V107 HydrophobicContact CE-CB 4.11Å; M97-V107 HydrophobicContact CE-CG1 4.37Å; M97-V107 HydrophobicContact CE-CG2 3.9Å; M97-I134 HydrophobicContact SD-CD1 4.16Å; M97-L137 HydrophobicContact CG-CB 4.42Å; M97-L137 HydrophobicContact SD-CB 3.99Å; M97-V138 HydrophobicContact SD-CG2 4.48Å
98A97.9Very high96.7Very high40 Ų4048.6 Ų48.633%0.33125%0.246SC..Hα-helixtrans-62.6-37.3173.300000112V56 A94 L95 G96 F101 A102V56-A98 HydrophobicContact CG1-CB 4.48Å; V56-A98 HydrophobicContact CG2-CB 4.38Å; A94-A98 WeakPolarHBondContact O-CB 3.26Å; A94-A98 PolarHBondContact O-N 3.48Å; L95-A98 PolarHBondContact O-N 2.89Å; G96-A98 VanDerWaalsContact C-N 3.34Å; G96-A98 PolarHBondContact O-N 3.31Å; A98-F101 PolarHBondContact O-N 3.08Å; A98-A102 WeakPolarHBondContact O-CB 3.5Å; A98-A102 PolarHBondContact O-N 3.49Å
99Y97.4Very high96.9Very high41 Ų4151.9 Ų51.916%0.16127%0.266CS..Hα-helixtrans-63.1-48174.9-176.7-99.2000111.8M53 V56 L57 L95 G96 M97 F101 A102 M103M53-Y99 HydrophobicContact CB-CD2 4.09Å; M53-Y99 HydrophobicContact CB-CE2 3.64Å; M53-Y99 HydrophobicContact CE-CE1 4.18Å; M53-Y99 HydrophobicContact CE-CE2 3.88Å; M53-Y99 VanDerWaalsContact CE-CZ 3.48Å; M53-Y99 WeakPolarHBondContact CE-OH 3.35Å; M53-Y99 HydrophobicContact CG-CD2 4.24Å; M53-Y99 HydrophobicContact CG-CE2 3.94Å; V56-Y99 HydrophobicContact CB-CD2 4.41Å; V56-Y99 HydrophobicContact CG1-CD2 4.41Å; L57-Y99 HydrophobicContact CD1-CD2 4.47Å; L57-Y99 HydrophobicContact CD1-CE2 3.58Å; L57-Y99 HydrophobicContact CD2-CD2 4.26Å; L57-Y99 HydrophobicContact CD2-CE2 3.97Å; L57-Y99 HydrophobicContact CG-CD2 3.94Å; L57-Y99 HydrophobicContact CG-CE2 3.52Å; L95-Y99 PolarHBondContact O-N 3.12Å; G96-Y99 WeakPolarHBondContact O-CB 3.46Å; G96-Y99 PolarHBondContact O-N 3.26Å; M97-Y99 VanDerWaalsContact C-N 3.31Å; M97-Y99 PolarHBondContact O-N 2.92Å; Y99-F101 VanDerWaalsContact C-N 3.35Å; Y99-F101 PolarHBondContact O-N 2.94Å; Y99-A102 WeakPolarHBondContact O-CB 3.39Å; Y99-A102 PolarHBondContact O-N 2.84Å; Y99-M103 HydrophobicContact CD1-CG 4.5Å; Y99-M103 HydrophobicContact CD1-SD 3.48Å; Y99-M103 WeakPolarHBondContact CD1-SD 3.33Å; Y99-M103 HydrophobicContact CE1-CE 4.44Å; Y99-M103 HydrophobicContact CE1-CG 4.33Å; Y99-M103 HydrophobicContact CE1-SD 3.24Å; Y99-M103 WeakPolarHBondContact CE1-SD 3.43Å; Y99-M103 HydrophobicContact CG-SD 4.44Å; Y99-M103 VanDerWaalsContact O-CG 3.31Å; Y99-M103 WeakPolarHBondContact O-CG 3.42Å; Y99-M103 PolarHBondContact O-N 3.03Å
100Y97.7Very high97.2Very high22 Ų2252.4 Ų52.49%0.08627%0.267CS..Hα-helixtrans-65-37.9175.6-88.7-93.9000112.5G96 M97 M103 G104 F105 F131 I134 L137G96-Y100 WeakPolarHBondContact O-CD2 3.39Å; G96-Y100 PolarHBondContact O-N 3.22Å; M97-Y100 PolarHBondContact O-N 2.83Å; Y100-M103 HydrophobicContact CD1-SD 4.47Å; Y100-M103 WeakPolarHBondContact O-CB 3.44Å; Y100-M103 PolarHBondContact O-N 3.12Å; Y100-G104 PolarHBondContact O-N 2.91Å; Y100-F105 HydrophobicContact CD1-CB 4.19Å; Y100-F105 HydrophobicContact CD1-CD1 4.31Å; Y100-F105 AromaticContact CD1-CD2 3.81Å; Y100-F105 HydrophobicContact CD1-CD2 3.81Å; Y100-F105 HydrophobicContact CD1-CE2 4.26Å; Y100-F105 AromaticContact CD1-CG 3.83Å; Y100-F105 HydrophobicContact CD1-CG 3.83Å; Y100-F105 WeakPolarHBondContact O-CB 3.33Å; Y100-F105 PolarHBondContact O-N 2.91Å; Y100-F131 HydrophobicContact CE1-CB 4.29Å; Y100-F131 HydrophobicContact CE1-CD1 4.43Å; Y100-F131 WeakPolarHBondContact CE1-O 3.36Å; Y100-F131 PolarHBondContact OH-O 3.16Å; Y100-I134 HydrophobicContact CD1-CB 4.22Å; Y100-I134 HydrophobicContact CD1-CD1 3.36Å; Y100-I134 HydrophobicContact CD1-CG1 4.3Å; Y100-I134 HydrophobicContact CD2-CD1 3.65Å; Y100-I134 HydrophobicContact CE1-CB 3.8Å; Y100-I134 HydrophobicContact CE1-CD1 3.85Å; Y100-I134 HydrophobicContact CE1-CG1 4.39Å; Y100-I134 HydrophobicContact CE2-CB 4.45Å; Y100-I134 HydrophobicContact CE2-CD1 4.11Å; Y100-I134 HydrophobicContact CG-CD1 3.24Å; Y100-I134 PolarHBondContact OH-N 3.13Å; Y100-L137 HydrophobicContact CD2-CD1 3.45Å; Y100-L137 VanDerWaalsContact CD2-CD1 3.45Å; Y100-L137 HydrophobicContact CE2-CD1 3.56Å
101F97.9Very high97.4Very high160 Ų16047.4 Ų47.470%0.70227%0.267SS*.Hα-helixtrans-61.6-44.2173-179.3-100.2000111.5M97 A98 Y99 M103 G104M97-F101 WeakPolarHBondContact O-CB 3.33Å; M97-F101 PolarHBondContact O-N 2.6Å; A98-F101 PolarHBondContact O-N 3.08Å; Y99-F101 VanDerWaalsContact C-N 3.35Å; Y99-F101 PolarHBondContact O-N 2.94Å; F101-M103 PolarHBondContact O-N 3.23Å; F101-G104 WeakPolarHBondContact O-CA 3.42Å; F101-G104 PolarHBondContact O-N 3.01Å
102A97.8Very high97.4Very high10 Ų1053.5 Ų53.58%0.08329%0.29CS..Hα-helixtrans-61.5-31.4174.200000112.5R49 L52 M53 A98 Y99 G104R49-A102 WeakPolarHBondContact CB-O 3.31Å; R49-A102 WeakPolarHBondContact CD-O 3.5Å; R49-A102 WeakPolarHBondContact CG-O 3.46Å; L52-A102 HydrophobicContact CB-CB 3.78Å; M53-A102 HydrophobicContact CG-CB 4.02Å; A98-A102 WeakPolarHBondContact O-CB 3.5Å; A98-A102 PolarHBondContact O-N 3.49Å; Y99-A102 WeakPolarHBondContact O-CB 3.39Å; Y99-A102 PolarHBondContact O-N 2.84Å; A102-G104 PolarHBondContact O-N 3.11Å
103M97.2Very high97.5Very high5 Ų556 Ų563%0.02530%0.302CS..THydrogen-bonded Turntrans-71.9-11171.5-67.3163.871.900113.7R49 M53 Y99 Y100 F101 F105 F131 L251 L255R49-M103 VanDerWaalsContact CZ-O 3.3Å; R49-M103 PolarHBondContact NE-O 2.96Å; R49-M103 PolarHBondContact NH1-O 3.43Å; R49-M103 VanDerWaalsContact NH1-O 3.07Å; M53-M103 HydrophobicContact CE-CE 4.47Å; M53-M103 HydrophobicContact CE-CG 3.46Å; M53-M103 VanDerWaalsContact CE-CG 3.46Å; M53-M103 HydrophobicContact CE-SD 4.02Å; M53-M103 HydrophobicContact CG-CG 3.77Å; M53-M103 HydrophobicContact SD-CB 4.34Å; M53-M103 HydrophobicContact SD-CG 3.36Å; M53-M103 WeakPolarHBondContact SD-CG 3.07Å; Y99-M103 HydrophobicContact CD1-CG 4.5Å; Y99-M103 HydrophobicContact CD1-SD 3.48Å; Y99-M103 WeakPolarHBondContact CD1-SD 3.33Å; Y99-M103 HydrophobicContact CE1-CE 4.44Å; Y99-M103 HydrophobicContact CE1-CG 4.33Å; Y99-M103 HydrophobicContact CE1-SD 3.24Å; Y99-M103 WeakPolarHBondContact CE1-SD 3.43Å; Y99-M103 HydrophobicContact CG-SD 4.44Å; Y99-M103 VanDerWaalsContact O-CG 3.31Å; Y99-M103 WeakPolarHBondContact O-CG 3.42Å; Y99-M103 PolarHBondContact O-N 3.03Å; Y100-M103 HydrophobicContact CD1-SD 4.47Å; Y100-M103 WeakPolarHBondContact O-CB 3.44Å; Y100-M103 PolarHBondContact O-N 3.12Å; F101-M103 PolarHBondContact O-N 3.23Å; M103-F105 HydrophobicContact CB-CD2 3.85Å; M103-F105 HydrophobicContact CB-CE2 4.19Å; M103-F105 HydrophobicContact CE-CE2 4Å; M103-F131 HydrophobicContact CE-CD1 3.58Å; M103-F131 HydrophobicContact CE-CE1 3.19Å; M103-F131 HydrophobicContact CE-CZ 4.28Å; M103-L251 HydrophobicContact CE-CD1 4.36Å; M103-L255 HydrophobicContact CB-CD2 4.15Å; M103-L255 HydrophobicContact CG-CD2 4.28Å
104G96.9Very high97.6Very high10 Ų1056 Ų5610%0.10330%0.301CS..THydrogen-bonded Turntrans94.415.5-177.300000114.9Y100 F101 A102 Y259 T260Y100-G104 PolarHBondContact O-N 2.91Å; F101-G104 WeakPolarHBondContact O-CA 3.42Å; F101-G104 PolarHBondContact O-N 3.01Å; A102-G104 PolarHBondContact O-N 3.11Å; G104-Y259 CarbonylContact O-C 3.52Å; G104-Y259 VanDerWaalsContact O-CA 3.24Å; G104-Y259 WeakPolarHBondContact O-CA 3.18Å; G104-T260 PolarHBondContact O-N 2.78Å
105F98.1Very high97.6Very high8 Ų856.1 Ų56.14%0.03530%0.298CS..EExtended strand (participates in β ladder)trans-79133.4178.2-79-100000112.3Y100 M103 F131 Y231 V238 T254 T260 V262Y100-F105 HydrophobicContact CD1-CB 4.19Å; Y100-F105 HydrophobicContact CD1-CD1 4.31Å; Y100-F105 AromaticContact CD1-CD2 3.81Å; Y100-F105 HydrophobicContact CD1-CD2 3.81Å; Y100-F105 HydrophobicContact CD1-CE2 4.26Å; Y100-F105 AromaticContact CD1-CG 3.83Å; Y100-F105 HydrophobicContact CD1-CG 3.83Å; Y100-F105 WeakPolarHBondContact O-CB 3.33Å; Y100-F105 PolarHBondContact O-N 2.91Å; M103-F105 HydrophobicContact CB-CD2 3.85Å; M103-F105 HydrophobicContact CB-CE2 4.19Å; M103-F105 HydrophobicContact CE-CE2 4Å; F105-F131 HydrophobicContact CE1-CB 4.32Å; F105-F131 HydrophobicContact CE1-CG 4.49Å; F105-F131 HydrophobicContact CE2-CD1 4.06Å; F105-F131 HydrophobicContact CE2-CE1 4.3Å; F105-F131 HydrophobicContact CE2-CG 4.33Å; F105-F131 HydrophobicContact CZ-CB 3.95Å; F105-F131 AromaticContact CZ-CD1 3.87Å; F105-F131 HydrophobicContact CZ-CD1 3.87Å; F105-F131 AromaticContact CZ-CD2 3.99Å; F105-F131 HydrophobicContact CZ-CD2 3.99Å; F105-F131 HydrophobicContact CZ-CE1 4.35Å; F105-F131 HydrophobicContact CZ-CE2 4.42Å; F105-F131 AromaticContact CZ-CG 3.67Å; F105-F131 HydrophobicContact CZ-CG 3.67Å; F105-Y231 HydrophobicContact CE1-CE1 4.08Å; F105-V238 HydrophobicContact CE1-CG1 4.33Å; F105-V238 HydrophobicContact CZ-CG1 4.18Å; F105-T254 HydrophobicContact CE2-CG2 3.71Å; F105-T254 HydrophobicContact CZ-CG2 3.78Å; F105-T260 CarbonylContact C-O 3.58Å; F105-T260 VanDerWaalsContact CA-O 3.22Å; F105-T260 WeakPolarHBondContact CA-O 3.36Å; F105-T260 HydrophobicContact CD1-CG2 4.08Å; F105-T260 HydrophobicContact CE1-CG2 3.64Å; F105-T260 HydrophobicContact CZ-CG2 4.04Å; F105-V262 HydrophobicContact CD1-CB 4.35Å; F105-V262 HydrophobicContact CD1-CG1 4.01Å
106R97.7Very high97.5Very high160 Ų16055.6 Ų55.660%0.60430%0.298SS*.EExtended strand (participates in β ladder)trans-104.4111.9165.4-178.3-177.6178.6-175.9-0.2108.3T260 T261 V262R106-T260 PolarHBondContact N-O 3.43Å; R106-T261 WeakPolarHBondContact O-CA 3.27Å; R106-V262 PolarHBondContact O-N 3.21Å
107V97.9Very high97.5Very high37 Ų3760.9 Ų60.922%0.22432%0.322CS..EExtended strand (participates in β ladder)trans-92.4126.7-179.5-173.40000109.4M97 V109 I134 V138 V262 V264M97-V107 HydrophobicContact CE-CB 4.11Å; M97-V107 HydrophobicContact CE-CG1 4.37Å; M97-V107 HydrophobicContact CE-CG2 3.9Å; V107-V109 HydrophobicContact CG1-CG2 4.18Å; V107-I134 HydrophobicContact CG1-CG1 4.46Å; V107-I134 HydrophobicContact CG2-CD1 3.6Å; V107-I134 HydrophobicContact CG2-CG1 3.91Å; V107-V138 HydrophobicContact CG1-CG2 3.67Å; V107-V262 WeakPolarHBondContact CA-O 3.47Å; V107-V262 HydrophobicContact CB-CG1 4.34Å; V107-V262 HydrophobicContact CG1-CG1 4.37Å; V107-V262 HydrophobicContact CG2-CG1 3.94Å; V107-V264 HydrophobicContact CG1-CG2 4.47Å
108V98.3Very high97.5Very high41 Ų4162.9 Ų62.925%0.24833%0.33CS..EExtended strand (participates in β ladder)trans-114.7118.3173.5179.30000107.6K110 T261 V262 E263 V264V108-K110 HydrophobicContact CG1-CG 4.37Å; V108-T261 HydrophobicContact CG2-CG2 4.02Å; V108-V262 PolarHBondContact N-O 3.49Å; V108-E263 HydrophobicContact CB-CG 4.24Å; V108-E263 CarbonylContact O-C 3.51Å; V108-E263 VanDerWaalsContact O-CA 3.27Å; V108-E263 WeakPolarHBondContact O-CA 3.28Å; V108-V264 PolarHBondContact O-N 3.35Å
109V98.4Very high97.5Very high79 Ų7961 Ų6148%0.47931%0.314SS..EExtended strand (participates in β ladder)trans-99.1128.6177.7-174.30000108.8V107 V138 V264 F266V107-V109 HydrophobicContact CG1-CG2 4.18Å; V109-V138 HydrophobicContact CG1-CG1 4.11Å; V109-V138 HydrophobicContact CG2-CG1 3.64Å; V109-V138 HydrophobicContact CG2-CG2 4.37Å; V109-V264 CarbonylContact C-O 3.58Å; V109-V264 WeakPolarHBondContact CA-O 3.14Å; V109-F266 HydrophobicContact CG1-CD2 4.07Å; V109-F266 HydrophobicContact CG1-CE2 3.87Å
110K98.3Very high97.6Very high78 Ų7859.5 Ų59.534%0.33931%0.31SS..EExtended strand (participates in β ladder)trans-120.2151175.8-66.1178.8-178.4168.80109.7V108 E263 V264 E265 F266V108-K110 HydrophobicContact CG1-CG 4.37Å; K110-E263 IonicContact NZ-OE1 3.43Å; K110-E263 PolarHBondContact NZ-OE1 2.57Å; K110-E263 IonicContact NZ-OE2 3.95Å; K110-E263 PolarHBondContact NZ-OE2 2.8Å; K110-V264 PolarHBondContact N-O 3.44Å; K110-E265 HydrophobicContact CB-CB 3.9Å; K110-E265 HydrophobicContact CB-CG 3.87Å; K110-E265 CarbonylContact O-C 3.57Å; K110-E265 WeakPolarHBondContact O-CA 3.41Å; K110-F266 PolarHBondContact O-N 2.93Å
111G97.3Very high97.6Very high61 Ų6158.4 Ų58.463%0.62931%0.305SS*.EExtended strand (participates in β ladder)trans68.2-166.5-176.100000113
112K97.3Very high97.6Very high174 Ų17450.8 Ų50.876%0.75727%0.272SS*.  trans-132.5125.6-177-173.3-177.4176.5-173.90110.3V114 Q225K112-V114 PolarHBondContact O-N 3.2Å; K112-Q225 PolarHBondContact O-NE2 3.25Å
113Q97.8Very high97.7Very high59 Ų5950.3 Ų50.328%0.27627%0.268SS..PPolyproline II helixtrans-65.1130.8169.1-174.3-178.1-4.600109.6S139 F266Q113-S139 PolarHBondContact NE2-O 2.75Å; Q113-S139 VanDerWaalsContact OE1-CA 3.31Å; Q113-F266 HydrophobicContact CB-CD1 3.77Å; Q113-F266 HydrophobicContact CB-CD2 4.31Å; Q113-F266 HydrophobicContact CB-CE1 3.66Å; Q113-F266 HydrophobicContact CB-CE2 4.19Å; Q113-F266 HydrophobicContact CB-CG 4.1Å; Q113-F266 HydrophobicContact CB-CZ 3.87Å; Q113-F266 HydrophobicContact CG-CD1 4.1Å; Q113-F266 HydrophobicContact CG-CE1 3.73Å; Q113-F266 HydrophobicContact CG-CZ 4.21Å
114V97.8Very high97.7Very high21 Ų2150.1 Ų50.113%0.12727%0.267CS..PPolyproline II helixtrans-89.4167174.2-59.10000111.5K112 E118 A119 Q195 Q225 P269K112-V114 PolarHBondContact O-N 3.2Å; V114-E118 HydrophobicContact CB-CB 4.13Å; V114-E118 HydrophobicContact CB-CG 4.16Å; V114-E118 WeakPolarHBondContact CB-OE2 3.25Å; V114-E118 WeakPolarHBondContact CG1-OE2 3.4Å; V114-E118 HydrophobicContact CG2-CB 4.08Å; V114-E118 HydrophobicContact CG2-CG 4.14Å; V114-A119 HydrophobicContact CG2-CB 3.52Å; V114-Q195 PolarHBondContact O-NE2 3.38Å; V114-Q195 PolarHBondContact O-OE1 2.88Å; V114-Q225 HydrophobicContact CG2-CB 4.26Å; V114-P269 HydrophobicContact CB-CG 4.13Å; V114-P269 HydrophobicContact CG1-CG 3.52Å; V114-P269 HydrophobicContact CG2-CG 3.63Å
115S97Very high97.8Very high61 Ų6149.6 Ų49.643%0.42726%0.262SS..PPolyproline II helixtrans-68.5161.3178.4740000112.3I117 E118 A119S115-I117 PolarHBondContact O-N 3.43Å; S115-I117 PolarHBondContact OG-N 2.84Å; S115-E118 PolarHBondContact O-N 3.41Å; S115-E118 PolarHBondContact OG-N 2.89Å; S115-A119 PolarHBondContact O-N 3.14Å
116S95.7Very high97.8Very high23 Ų2349.4 Ų49.416%0.16126%0.261CS..THydrogen-bonded Turntrans-63.6-18.717351.20000114P120 G191 W193S116-P120 VanDerWaalsContact O-CA 3.24Å; S116-P120 WeakPolarHBondContact O-CA 3Å; S116-P120 WeakPolarHBondContact O-CB 3.09Å; S116-G191 WeakPolarHBondContact OG-CA 3.33Å; S116-W193 WeakPolarHBondContact CB-O 3.23Å; S116-W193 PolarHBondContact OG-O 3.45Å
117I96.6Very high97.7Very high126 Ų12643.4 Ų43.465%0.64624%0.24SC*.THydrogen-bonded Turntrans-75.8-41.1175.3-60.2170.3000110.1S115S115-I117 PolarHBondContact O-N 3.43Å; S115-I117 PolarHBondContact OG-N 2.84Å
118E97.4Very high97.5Very high104 Ų10441.6 Ų41.649%0.48623%0.229SC..THydrogen-bonded Turntrans-77.1-45-177.5-175176.5172.300112V114 S115 P223 P269V114-E118 HydrophobicContact CB-CB 4.13Å; V114-E118 HydrophobicContact CB-CG 4.16Å; V114-E118 WeakPolarHBondContact CB-OE2 3.25Å; V114-E118 WeakPolarHBondContact CG1-OE2 3.4Å; V114-E118 HydrophobicContact CG2-CB 4.08Å; V114-E118 HydrophobicContact CG2-CG 4.14Å; S115-E118 PolarHBondContact O-N 3.41Å; S115-E118 PolarHBondContact OG-N 2.89Å; E118-P223 VanDerWaalsContact O-CB 3.3Å; E118-P223 WeakPolarHBondContact O-CB 3.33Å; E118-P269 HydrophobicContact CG-CG 4.21Å
119A97.9Very high97.2Very high0 Ų039.7 Ų39.70%022%0.218CC..  trans-141.297.5172.600000110.1V114 S115 I121 Q195 P223 Q225 P269V114-A119 HydrophobicContact CG2-CB 3.52Å; S115-A119 PolarHBondContact O-N 3.14Å; A119-I121 PolarHBondContact O-N 3.34Å; A119-I121 VanDerWaalsContact O-N 3.16Å; A119-Q195 WeakPolarHBondContact O-CG 3.32Å; A119-Q195 PolarHBondContact O-NE2 2.74Å; A119-P223 HydrophobicContact CB-CB 4.42Å; A119-Q225 HydrophobicContact CB-CB 3.76Å; A119-P269 HydrophobicContact CB-CB 4.23Å
120P98Very high96.9Very high10 Ų1039.5 Ų39.57%0.06521%0.21CC..SBendtrans-67.6-13.2-17725.3-36.7000114.4S116 A187 Q195 V196 V222 P223S116-P120 VanDerWaalsContact O-CA 3.24Å; S116-P120 WeakPolarHBondContact O-CA 3Å; S116-P120 WeakPolarHBondContact O-CB 3.09Å; P120-A187 HydrophobicContact CB-CB 4.22Å; P120-A187 VanDerWaalsContact CB-O 3.26Å; P120-A187 WeakPolarHBondContact CB-O 3.26Å; P120-A187 HydrophobicContact CG-CB 4.29Å; P120-A187 VanDerWaalsContact CG-O 3.31Å; P120-A187 WeakPolarHBondContact CG-O 3.49Å; P120-Q195 CarbonylContact O-C 3.52Å; P120-Q195 WeakPolarHBondContact O-CA 3.01Å; P120-V196 PolarHBondContact O-N 2.79Å; P120-V222 HydrophobicContact CG-CB 3.92Å; P120-V222 HydrophobicContact CG-CG2 3.47Å; P120-V222 VanDerWaalsContact CG-CG2 3.47Å; P120-P223 WeakPolarHBondContact CD-O 3.41Å
121I98.4Very high96.8Very high0 Ų035.9 Ų35.90%020%0.195CC..EExtended strand (participates in β ladder)trans-122.8132-176.4-62176.6000110.2A119 I183 A187 V196 I198 A217 P220 V222 V224 Q225A119-I121 PolarHBondContact O-N 3.34Å; A119-I121 VanDerWaalsContact O-N 3.16Å; I121-I183 HydrophobicContact CD1-CG2 4.31Å; I121-A187 HydrophobicContact CD1-CB 3.89Å; I121-A187 HydrophobicContact CG1-CB 4.02Å; I121-V196 CarbonylContact C-O 3.54Å; I121-V196 VanDerWaalsContact CA-O 3.31Å; I121-V196 WeakPolarHBondContact CA-O 3.35Å; I121-V196 HydrophobicContact CG1-CB 4.45Å; I121-I198 HydrophobicContact CG2-CD1 4.33Å; I121-A217 WeakPolarHBondContact CD1-O 3.34Å; I121-A217 HydrophobicContact CG2-CB 4.17Å; I121-P220 HydrophobicContact CD1-CG 4.22Å; I121-V222 HydrophobicContact CD1-CG2 3.99Å; I121-V222 HydrophobicContact CG1-CG2 4.42Å; I121-V224 HydrophobicContact CB-CG1 4.06Å; I121-V224 HydrophobicContact CG2-CG1 4.14Å; I121-V224 CarbonylContact O-C 3.54Å; I121-V224 WeakPolarHBondContact O-CA 3.42Å; I121-Q225 PolarHBondContact O-N 3.25Å
122L98.7Very high96.8Very high0 Ų033 Ų330%017%0.165CC..EExtended strand (participates in β ladder)trans-100.7110.7170.8-65.5169.3000108.9P142 Q195 V196 L197 I198 Q225 V227 F266L122-P142 HydrophobicContact CD1-CB 4.4Å; L122-P142 HydrophobicContact CD1-CG 4.35Å; L122-Q195 HydrophobicContact CD1-CB 4.05Å; L122-Q195 HydrophobicContact CG-CB 4.08Å; L122-V196 PolarHBondContact N-O 3.23Å; L122-L197 HydrophobicContact CB-CB 4.28Å; L122-L197 HydrophobicContact CB-CG 4.27Å; L122-L197 HydrophobicContact CD1-CD1 4.45Å; L122-L197 WeakPolarHBondContact O-CA 3.46Å; L122-I198 PolarHBondContact O-N 2.82Å; L122-Q225 WeakPolarHBondContact CA-O 3.35Å; L122-Q225 HydrophobicContact CD2-CB 3.97Å; L122-Q225 HydrophobicContact CD2-CG 4.17Å; L122-V227 HydrophobicContact CB-CG2 4.28Å; L122-V227 HydrophobicContact CD2-CG2 3.85Å; L122-F266 HydrophobicContact CD2-CD1 4.41Å; L122-F266 HydrophobicContact CD2-CE1 4.24Å
123A98.4Very high96.6Very high0 Ų026.9 Ų26.90%015%0.147CC..EExtended strand (participates in β ladder)trans-94.3106177.600000109.5Q225 P226 V227 M291A123-Q225 PolarHBondContact N-O 3.38Å; A123-P226 CarbonylContact O-C 3.6Å; A123-P226 WeakPolarHBondContact O-CA 3.39Å; A123-V227 PolarHBondContact O-N 2.96Å; A123-M291 VanDerWaalsContact O-CE 3.28Å; A123-M291 WeakPolarHBondContact O-CE 3.48Å
124V98.6Very high96.6Very high0 Ų024.1 Ų24.10%013%0.134CC..EExtended strand (participates in β ladder)trans-102.2124.9-171.3-167.90000111.2A135 L197 I198 F199 P200 V227 L229V124-A135 HydrophobicContact CG1-CB 4.06Å; V124-A135 HydrophobicContact CG2-CB 4.47Å; V124-L197 HydrophobicContact CG2-CD1 3.85Å; V124-L197 HydrophobicContact CG2-CD2 3.73Å; V124-L197 HydrophobicContact CG2-CG 3.54Å; V124-I198 PolarHBondContact N-O 2.86Å; V124-F199 HydrophobicContact CB-CD1 3.77Å; V124-F199 HydrophobicContact CB-CE1 3.58Å; V124-F199 HydrophobicContact CB-CG 4.39Å; V124-F199 HydrophobicContact CB-CZ 4.02Å; V124-F199 HydrophobicContact CG1-CD1 3.99Å; V124-F199 HydrophobicContact CG1-CE1 3.36Å; V124-F199 HydrophobicContact CG1-CZ 3.86Å; V124-F199 VanDerWaalsContact O-CD1 3.24Å; V124-F199 WeakPolarHBondContact O-CD1 3.36Å; V124-P200 WeakPolarHBondContact O-CD 3.29Å; V124-V227 WeakPolarHBondContact CA-O 3.32Å; V124-V227 HydrophobicContact CB-CB 4.45Å; V124-V227 HydrophobicContact CG1-CB 4.34Å; V124-V227 HydrophobicContact CG1-CG1 4.42Å; V124-V227 HydrophobicContact CG2-CB 4.07Å; V124-V227 HydrophobicContact CG2-CG2 4.45Å; V124-L229 HydrophobicContact CG1-CD1 3.69Å; V124-L229 HydrophobicContact CG1-CD2 4.27Å; V124-L229 HydrophobicContact CG1-CG 3.68Å
125A98.2Very high96.5Very high0 Ų023.1 Ų23.10%013%0.128CC..EExtended strand (participates in β ladder)trans-153.4158.5176.100000111.8L210 F213 V227 L228 L229 M291A125-L210 HydrophobicContact CB-CD2 4.07Å; A125-F213 HydrophobicContact CB-CE1 4.08Å; A125-F213 HydrophobicContact CB-CZ 3.65Å; A125-V227 PolarHBondContact N-O 3.13Å; A125-L228 VanDerWaalsContact O-CA 3.27Å; A125-L228 WeakPolarHBondContact O-CA 3.34Å; A125-L229 PolarHBondContact O-N 2.71Å; A125-M291 HydrophobicContact CB-CE 3.47Å; A125-M291 VanDerWaalsContact CB-CE 3.47Å; A125-M291 HydrophobicContact CB-SD 4.3Å
126P97.6Very high96.5Very high3 Ų320.5 Ų20.52%0.01911%0.11CC..  cis-69153.1-7.8-9.125.5000111.4R207 L210 L229 L295P126-R207 HydrophobicContact CB-CB 4.24Å; P126-R207 HydrophobicContact CB-CG 3.93Å; P126-R207 HydrophobicContact CG-CB 4.04Å; P126-R207 HydrophobicContact CG-CG 4.05Å; P126-L210 HydrophobicContact CB-CD2 3.83Å; P126-L210 HydrophobicContact CG-CD2 3.79Å; P126-L229 VanDerWaalsContact CD-O 3.29Å; P126-L229 WeakPolarHBondContact CD-O 3.16Å; P126-L295 HydrophobicContact CG-CD1 3.87Å
127H96.1Very high96.5Very high34 Ų3420.1 Ų20.116%0.15711%0.106CC..  trans-94.2115.5169.2-171.427.3000107.9D132 F199 E201 T203 C204 T205H127-D132 WeakPolarHBondContact CA-OD2 3.28Å; H127-D132 IonicContact CE1-OD2 3.73Å; H127-D132 IonicContact CG-OD2 2.7Å; H127-D132 IonicContact ND1-OD2 3.58Å; H127-D132 PolarHBondContact ND1-OD2 3.38Å; H127-F199 HydrophobicContact CB-CB 4.08Å; H127-F199 HydrophobicContact CB-CD1 3.59Å; H127-F199 HydrophobicContact CB-CE1 4.39Å; H127-F199 HydrophobicContact CB-CG 4.13Å; H127-F199 AromaticContact CG-CD1 3.61Å; H127-F199 AromaticContact CG-CG 3.86Å; H127-F199 AromaticContact ND1-CD1 3.63Å; H127-F199 AromaticContact ND1-CE1 3.8Å; H127-F199 AromaticContact ND1-CG 3.99Å; H127-E201 HydrophobicContact CB-CB 4.38Å; H127-E201 WeakPolarHBondContact CB-OE2 3.25Å; H127-E201 PolarHBondContact N-OE2 2.86Å; H127-T203 PolarHBondContact CD2-O 3.09Å; H127-C204 PolarHBondContact NE2-SG 3.03Å; H127-C204 VanDerWaalsContact NE2-SG 3.39Å; H127-C204 CarbonylContact O-C 3.6Å; H127-C204 VanDerWaalsContact O-CA 3.23Å; H127-C204 WeakPolarHBondContact O-CA 3.46Å; H127-T205 PolarHBondContact O-N 2.77Å; H127-T205 PolarHBondContact O-OG1 3.31Å
128S93.8Very high96.6Very high0 Ų015.4 Ų15.40%08%0.083CC..  trans-137.4-11.7-170.163.30000115.1D132 T205 R207 T239 W240S128-D132 PolarHBondContact N-OD2 2.74Å; S128-T205 WeakPolarHBondContact CA-O 3.37Å; S128-T205 WeakPolarHBondContact CB-O 3.4Å; S128-R207 WeakPolarHBondContact OG-CD 3.35Å; S128-R207 PolarHBondContact OG-NH1 2.7Å; S128-T239 WeakPolarHBondContact O-CA 3.46Å; S128-W240 PolarHBondContact O-N 3Å
129A92.8Very high96.5Very high0 Ų010.8 Ų10.80%06%0.062CC..  trans-153.2155.9-178.100000111.4F131 D132 V238A129-F131 HydrophobicContact CB-CB 4.09Å; A129-F131 HydrophobicContact CB-CD2 4.03Å; A129-F131 HydrophobicContact CB-CG 4.48Å; A129-F131 PolarHBondContact O-N 3.46Å; A129-D132 PolarHBondContact N-OD2 3Å; A129-D132 VanDerWaalsContact O-CB 3.26Å; A129-D132 WeakPolarHBondContact O-CB 3.26Å; A129-D132 PolarHBondContact O-N 3.21Å; A129-D132 VanDerWaalsContact O-N 3.07Å; A129-D132 VanDerWaalsContact O-OD2 3.08Å; A129-V238 HydrophobicContact CB-CB 4.41Å; A129-V238 WeakPolarHBondContact CB-O 3.35Å
130F91.4Very high96.3Very high75 Ų7512.1 Ų12.133%0.3298%0.076SC..G310 helixtrans-65.3-16.5165.258.9-91.9000112.3D132 W240 A247 V250 L251F130-D132 PolarHBondContact O-N 2.76Å; F130-W240 HydrophobicContact CD1-CB 4.36Å; F130-W240 HydrophobicContact CD1-CD2 4.31Å; F130-W240 HydrophobicContact CD1-CE3 4.16Å; F130-W240 HydrophobicContact CD1-CG 4.41Å; F130-A247 HydrophobicContact CE1-CB 4.18Å; F130-V250 HydrophobicContact CE1-CB 4.41Å; F130-V250 HydrophobicContact CE1-CG1 4.05Å; F130-V250 HydrophobicContact CZ-CG1 4.37Å; F130-L251 HydrophobicContact CZ-CB 4.23Å
131F96Very high96.1Very high2 Ų212.2 Ų12.21%0.0098%0.075CC..G310 helixtrans-70-14170.9-58.2-57.1000113.9Y100 M103 F105 A129 A133 I134 V238 V250 L251 T254Y100-F131 HydrophobicContact CE1-CB 4.29Å; Y100-F131 HydrophobicContact CE1-CD1 4.43Å; Y100-F131 WeakPolarHBondContact CE1-O 3.36Å; Y100-F131 PolarHBondContact OH-O 3.16Å; M103-F131 HydrophobicContact CE-CD1 3.58Å; M103-F131 HydrophobicContact CE-CE1 3.19Å; M103-F131 HydrophobicContact CE-CZ 4.28Å; F105-F131 HydrophobicContact CE1-CB 4.32Å; F105-F131 HydrophobicContact CE1-CG 4.49Å; F105-F131 HydrophobicContact CE2-CD1 4.06Å; F105-F131 HydrophobicContact CE2-CE1 4.3Å; F105-F131 HydrophobicContact CE2-CG 4.33Å; F105-F131 HydrophobicContact CZ-CB 3.95Å; F105-F131 AromaticContact CZ-CD1 3.87Å; F105-F131 HydrophobicContact CZ-CD1 3.87Å; F105-F131 AromaticContact CZ-CD2 3.99Å; F105-F131 HydrophobicContact CZ-CD2 3.99Å; F105-F131 HydrophobicContact CZ-CE1 4.35Å; F105-F131 HydrophobicContact CZ-CE2 4.42Å; F105-F131 AromaticContact CZ-CG 3.67Å; F105-F131 HydrophobicContact CZ-CG 3.67Å; A129-F131 HydrophobicContact CB-CB 4.09Å; A129-F131 HydrophobicContact CB-CD2 4.03Å; A129-F131 HydrophobicContact CB-CG 4.48Å; A129-F131 PolarHBondContact O-N 3.46Å; F131-A133 PolarHBondContact O-N 3.29Å; F131-I134 WeakPolarHBondContact O-CB 3.31Å; F131-I134 WeakPolarHBondContact O-CG2 3.03Å; F131-I134 PolarHBondContact O-N 3.23Å; F131-V238 HydrophobicContact CD2-CB 3.93Å; F131-V238 HydrophobicContact CD2-CG1 3.94Å; F131-V238 HydrophobicContact CE2-CB 4.37Å; F131-V238 HydrophobicContact CE2-CG1 4.25Å; F131-V250 HydrophobicContact CE2-CG1 4.01Å; F131-L251 HydrophobicContact CE1-CD1 4Å; F131-L251 HydrophobicContact CZ-CD1 3.92Å; F131-T254 HydrophobicContact CE2-CG2 4.13Å; F131-T254 HydrophobicContact CZ-CG2 4.08Å
132D96.8Very high95.9Very high0 Ų012.3 Ų12.30%08%0.076CC..G310 helixtrans-63.7-13.6177.6-61.7-18.6000112.4H127 S128 A129 F130 I134 A135 F199 L229 Y231H127-D132 WeakPolarHBondContact CA-OD2 3.28Å; H127-D132 IonicContact CE1-OD2 3.73Å; H127-D132 IonicContact CG-OD2 2.7Å; H127-D132 IonicContact ND1-OD2 3.58Å; H127-D132 PolarHBondContact ND1-OD2 3.38Å; S128-D132 PolarHBondContact N-OD2 2.74Å; A129-D132 PolarHBondContact N-OD2 3Å; A129-D132 VanDerWaalsContact O-CB 3.26Å; A129-D132 WeakPolarHBondContact O-CB 3.26Å; A129-D132 PolarHBondContact O-N 3.21Å; A129-D132 VanDerWaalsContact O-N 3.07Å; A129-D132 VanDerWaalsContact O-OD2 3.08Å; F130-D132 PolarHBondContact O-N 2.76Å; D132-I134 PolarHBondContact O-N 2.97Å; D132-A135 VanDerWaalsContact O-CB 3.25Å; D132-A135 WeakPolarHBondContact O-CB 3.34Å; D132-A135 PolarHBondContact O-N 3.39Å; D132-F199 HydrophobicContact CB-CE1 3.72Å; D132-F199 HydrophobicContact CB-CZ 3.63Å; D132-L229 HydrophobicContact CB-CD1 3.59Å; D132-Y231 WeakPolarHBondContact OD1-CE2 3.4Å; D132-Y231 PolarHBondContact OD1-OH 3.18Å
133A94.1Very high95.7Very high47 Ų4712.4 Ų12.439%0.3888%0.077SC..G310 helixtrans-56.8-16.4169.700000113.3F131 A135 C136F131-A133 PolarHBondContact O-N 3.29Å; A133-A135 PolarHBondContact O-N 2.89Å; A133-C136 WeakPolarHBondContact O-CB 3.47Å; A133-C136 PolarHBondContact O-N 2.76Å
134I96.7Very high95.5Very high0 Ų013.2 Ų13.20%08%0.082CC..Hα-helixtrans-52.6-34.6166.8-166.884.5000112.1M97 Y100 V107 F131 D132 C136 L137 V138 V262 V264M97-I134 HydrophobicContact SD-CD1 4.16Å; Y100-I134 HydrophobicContact CD1-CB 4.22Å; Y100-I134 HydrophobicContact CD1-CD1 3.36Å; Y100-I134 HydrophobicContact CD1-CG1 4.3Å; Y100-I134 HydrophobicContact CD2-CD1 3.65Å; Y100-I134 HydrophobicContact CE1-CB 3.8Å; Y100-I134 HydrophobicContact CE1-CD1 3.85Å; Y100-I134 HydrophobicContact CE1-CG1 4.39Å; Y100-I134 HydrophobicContact CE2-CB 4.45Å; Y100-I134 HydrophobicContact CE2-CD1 4.11Å; Y100-I134 HydrophobicContact CG-CD1 3.24Å; Y100-I134 PolarHBondContact OH-N 3.13Å; V107-I134 HydrophobicContact CG1-CG1 4.46Å; V107-I134 HydrophobicContact CG2-CD1 3.6Å; V107-I134 HydrophobicContact CG2-CG1 3.91Å; F131-I134 WeakPolarHBondContact O-CB 3.31Å; F131-I134 WeakPolarHBondContact O-CG2 3.03Å; F131-I134 PolarHBondContact O-N 3.23Å; D132-I134 PolarHBondContact O-N 2.97Å; I134-C136 PolarHBondContact O-N 3Å; I134-L137 HydrophobicContact CD1-CD1 4.32Å; I134-L137 WeakPolarHBondContact O-CB 3.46Å; I134-L137 PolarHBondContact O-N 3.49Å; I134-V138 HydrophobicContact CG1-CG2 4.28Å; I134-V138 WeakPolarHBondContact O-CG2 3.49Å; I134-V138 PolarHBondContact O-N 3.31Å; I134-V262 HydrophobicContact CG1-CG1 4.25Å; I134-V262 HydrophobicContact CG2-CG1 4.27Å; I134-V262 HydrophobicContact CG2-CG2 4.1Å; I134-V264 HydrophobicContact CG2-CG2 4.48Å
135A97.4Very high95.2Very high0 Ų015.8 Ų15.80%010%0.098CC..Hα-helixtrans-59-36.1178.200000111.5V124 D132 A133 L137 S139 L197 F199 L229V124-A135 HydrophobicContact CG1-CB 4.06Å; V124-A135 HydrophobicContact CG2-CB 4.47Å; D132-A135 VanDerWaalsContact O-CB 3.25Å; D132-A135 WeakPolarHBondContact O-CB 3.34Å; D132-A135 PolarHBondContact O-N 3.39Å; A133-A135 PolarHBondContact O-N 2.89Å; A135-L137 VanDerWaalsContact C-N 3.34Å; A135-S139 VanDerWaalsContact O-CB 3.23Å; A135-S139 WeakPolarHBondContact O-CB 3.05Å; A135-S139 PolarHBondContact O-N 3.07Å; A135-S139 PolarHBondContact O-OG 2.89Å; A135-L197 HydrophobicContact CB-CD1 4.14Å; A135-F199 HydrophobicContact CB-CZ 4.49Å; A135-L229 HydrophobicContact CB-CD2 4.24Å
136C96.4Very high94.9Very high7 Ų716.4 Ų16.45%0.04710%0.102CC..Hα-helixtrans-68.4-34.9176.2-49.80000111.9A133 I134 G140 L141 P142 T144 F163 L197A133-C136 WeakPolarHBondContact O-CB 3.47Å; A133-C136 PolarHBondContact O-N 2.76Å; I134-C136 PolarHBondContact O-N 3Å; C136-G140 PolarHBondContact O-N 3.17Å; C136-L141 WeakPolarHBondContact O-CA 3.38Å; C136-L141 PolarHBondContact O-N 3.1Å; C136-P142 HydrophobicContact CB-CG 4.5Å; C136-P142 WeakPolarHBondContact O-CD 3.39Å; C136-T144 HydrophobicContact CB-CG2 4.45Å; C136-F163 HydrophobicContact CB-CD1 4.12Å; C136-F163 HydrophobicContact CB-CE1 3.51Å; C136-L197 HydrophobicContact CB-CD1 4.37Å
137L96.2Very high94.5Very high14 Ų1421.5 Ų21.57%0.07312%0.12CC..Hα-helixtrans-70.5-48.2176.6-60.7175.6000111T93 G96 M97 Y100 I134 A135 S139 G140 L141T93-L137 VanDerWaalsContact CG2-O 3.24Å; T93-L137 WeakPolarHBondContact CG2-O 3.41Å; G96-L137 VanDerWaalsContact C-CD1 3.42Å; M97-L137 HydrophobicContact CG-CB 4.42Å; M97-L137 HydrophobicContact SD-CB 3.99Å; Y100-L137 HydrophobicContact CD2-CD1 3.45Å; Y100-L137 VanDerWaalsContact CD2-CD1 3.45Å; Y100-L137 HydrophobicContact CE2-CD1 3.56Å; I134-L137 HydrophobicContact CD1-CD1 4.32Å; I134-L137 WeakPolarHBondContact O-CB 3.46Å; I134-L137 PolarHBondContact O-N 3.49Å; A135-L137 VanDerWaalsContact C-N 3.34Å; L137-S139 PolarHBondContact O-N 3.45Å; L137-G140 PolarHBondContact O-N 2.92Å; L137-G140 VanDerWaalsContact O-N 3.08Å; L137-L141 HydrophobicContact CD2-CD2 3.81Å
138V96.9Very high94.1Very high28 Ų2821.9 Ų21.917%0.1713%0.125CC..Hα-helixtrans-59.7-32.7177.7174.20000111.5M97 V107 V109 I134 G140 V264 F266M97-V138 HydrophobicContact SD-CG2 4.48Å; V107-V138 HydrophobicContact CG1-CG2 3.67Å; V109-V138 HydrophobicContact CG1-CG1 4.11Å; V109-V138 HydrophobicContact CG2-CG1 3.64Å; V109-V138 HydrophobicContact CG2-CG2 4.37Å; I134-V138 HydrophobicContact CG1-CG2 4.28Å; I134-V138 WeakPolarHBondContact O-CG2 3.49Å; I134-V138 PolarHBondContact O-N 3.31Å; V138-G140 VanDerWaalsContact C-N 3.31Å; V138-G140 PolarHBondContact O-N 3.29Å; V138-V264 HydrophobicContact CB-CG1 4.39Å; V138-V264 HydrophobicContact CG1-CB 4.24Å; V138-V264 HydrophobicContact CG1-CG1 4.02Å; V138-V264 HydrophobicContact CG2-CG2 4.1Å; V138-F266 HydrophobicContact CG1-CE2 3.78Å; V138-F266 HydrophobicContact CG1-CZ 3.98Å
139S96Very high93.8Very high7 Ų726.6 Ų26.65%0.04915%0.147CC..THydrogen-bonded Turntrans-86.36-179.8-50.90000114.5Q113 A135 L137Q113-S139 PolarHBondContact NE2-O 2.75Å; Q113-S139 VanDerWaalsContact OE1-CA 3.31Å; A135-S139 VanDerWaalsContact O-CB 3.23Å; A135-S139 WeakPolarHBondContact O-CB 3.05Å; A135-S139 PolarHBondContact O-N 3.07Å; A135-S139 PolarHBondContact O-OG 2.89Å; L137-S139 PolarHBondContact O-N 3.45Å
140G93Very high93.7Very high27 Ų2729.7 Ų29.728%0.27816%0.164SC..THydrogen-bonded Turntrans78.136.2177.300000115.3C136 L137 V138C136-G140 PolarHBondContact O-N 3.17Å; L137-G140 PolarHBondContact O-N 2.92Å; L137-G140 VanDerWaalsContact O-N 3.08Å; V138-G140 VanDerWaalsContact C-N 3.31Å; V138-G140 PolarHBondContact O-N 3.29Å
141L93.8Very high93.5Very high12 Ų1227.2 Ų27.26%0.06315%0.154CC..SBendtrans57.859.8-178.2-62.8178.8000114.3C88 M92 C136 L137 F163C88-L141 HydrophobicContact CB-CD1 4.08Å; C88-L141 WeakPolarHBondContact O-CD1 3.06Å; M92-L141 HydrophobicContact CB-CD1 3.42Å; M92-L141 VanDerWaalsContact CB-CD1 3.42Å; C136-L141 WeakPolarHBondContact O-CA 3.38Å; C136-L141 PolarHBondContact O-N 3.1Å; L137-L141 HydrophobicContact CD2-CD2 3.81Å; L141-F163 HydrophobicContact CD2-CD1 3.84Å; L141-F163 HydrophobicContact CD2-CD2 4.5Å; L141-F163 HydrophobicContact CD2-CE1 3.19Å; L141-F163 HydrophobicContact CD2-CE2 3.95Å; L141-F163 HydrophobicContact CD2-CG 4.46Å; L141-F163 HydrophobicContact CD2-CZ 3.27Å; L141-F163 HydrophobicContact CG-CE1 4.49Å
142P95.2Very high93Very high3 Ų331.2 Ų31.22%0.01919%0.187CC..  trans-62.1163.6172.729.5-34.2000111.4L122 C136 T144 Q195 L197L122-P142 HydrophobicContact CD1-CB 4.4Å; L122-P142 HydrophobicContact CD1-CG 4.35Å; C136-P142 HydrophobicContact CB-CG 4.5Å; C136-P142 WeakPolarHBondContact O-CD 3.39Å; P142-T144 PolarHBondContact O-N 2.97Å; P142-Q195 CarbonylContact C-O 3.58Å; P142-Q195 WeakPolarHBondContact CA-O 3.4Å; P142-Q195 HydrophobicContact CB-CB 4.37Å; P142-Q195 WeakPolarHBondContact CB-O 3.45Å; P142-L197 HydrophobicContact CB-CB 3.98Å; P142-L197 HydrophobicContact CG-CB 3.53Å; P142-L197 HydrophobicContact CG-CD1 3.69Å; P142-L197 HydrophobicContact CG-CG 4.27Å
143S95Very high92.5Very high1 Ų134 Ų341%0.00721%0.205CC..EExtended strand (participates in β ladder)trans-61.5126.9168.61590000110.4F163 R186 Q195 V196 L197S143-F163 VanDerWaalsContact CA-O 3.3Å; S143-F163 WeakPolarHBondContact CA-O 3.5Å; S143-R186 PolarHBondContact OG-NH1 2.71Å; S143-Q195 PolarHBondContact N-O 2.86Å; S143-V196 CarbonylContact O-C 3.42Å; S143-V196 VanDerWaalsContact O-CA 3.24Å; S143-V196 WeakPolarHBondContact O-CA 3.38Å; S143-L197 PolarHBondContact O-N 2.94Å
144T93.8Very high91.8Very high17 Ų1736.9 Ų36.910%0.10422%0.219CC..EExtended strand (participates in β ladder)trans-107.6163.4179.856.20000112.4C136 P142 F163 P165 V166C136-T144 HydrophobicContact CB-CG2 4.45Å; P142-T144 PolarHBondContact O-N 2.97Å; T144-F163 HydrophobicContact CG2-CB 4.41Å; T144-F163 HydrophobicContact CG2-CD1 3.82Å; T144-F163 HydrophobicContact CG2-CG 4.46Å; T144-P165 CarbonylContact O-C 3.56Å; T144-P165 WeakPolarHBondContact O-CA 3.24Å; T144-V166 PolarHBondContact O-N 2.77Å
145V92.3Very high91.1Very high55 Ų5539.8 Ų39.833%0.33324%0.237SC..EExtended strand (participates in β ladder)trans-98122.6166-179.30000108.1V166 V168 I183 I198V145-V166 WeakPolarHBondContact CA-O 3.28Å; V145-V166 HydrophobicContact CG2-CB 4.29Å; V145-V168 HydrophobicContact CG1-CG2 3.41Å; V145-V168 VanDerWaalsContact CG1-CG2 3.41Å; V145-I183 HydrophobicContact CG2-CD1 4.1Å; V145-I183 HydrophobicContact CG2-CG1 4.46Å; V145-I198 HydrophobicContact CG2-CD1 4.2Å; V145-I198 HydrophobicContact CG2-CG1 3.88Å
146S90.9Very high90.5Very high13 Ų1343.7 Ų43.79%0.09125%0.254CS..EExtended strand (participates in β ladder)trans-135.9148-176.1-178.60000111.9N150 V166 L167 V168S146-N150 WeakPolarHBondContact OG-CB 3.43Å; S146-N150 PolarHBondContact OG-ND2 3.46Å; S146-V166 PolarHBondContact N-O 3.28Å; S146-L167 CarbonylContact O-C 3.58Å; S146-L167 WeakPolarHBondContact O-CA 3.11Å; S146-V168 PolarHBondContact O-N 3.08Å
147R89.1Confident90.1Very high109 Ų10943.5 Ų43.541%0.41125%0.253SS..EExtended strand (participates in β ladder)trans-64.4145.7167.2-72-164.6-166.6175.712.3111.2E149 N150 V168 R170R147-E149 VanDerWaalsContact C-N 3.26Å; R147-E149 WeakPolarHBondContact CB-OE2 3.42Å; R147-E149 PolarHBondContact O-N 3.24Å; R147-N150 WeakPolarHBondContact O-CB 3.34Å; R147-N150 PolarHBondContact O-N 3.38Å; R147-V168 VanDerWaalsContact CA-O 3.32Å; R147-V168 WeakPolarHBondContact CA-O 3.3Å; R147-R170 VanDerWaalsContact CZ-CZ 3.47Å; R147-R170 VanDerWaalsContact NH2-CZ 3.33Å
148V88Confident89.8Confident42 Ų4244.8 Ų44.826%0.25526%0.257SS..G310 helixtrans-61.6-37179.7174.90000111.3N150 L151 L167 V168V148-N150 PolarHBondContact O-N 3.29Å; V148-L151 WeakPolarHBondContact O-CB 3.4Å; V148-L151 PolarHBondContact O-N 2.99Å; V148-L167 HydrophobicContact CG2-CB 3.93Å; V148-V168 PolarHBondContact N-O 3.02Å
149E89.1Confident89.5Confident99 Ų9944.5 Ų44.546%0.46325%0.254SS..G310 helixtrans-62.1-29.5-178.1-58.881-179.500112.1R147 L151 A152R147-E149 VanDerWaalsContact C-N 3.26Å; R147-E149 WeakPolarHBondContact CB-OE2 3.42Å; R147-E149 PolarHBondContact O-N 3.24Å; E149-L151 PolarHBondContact O-N 2.86Å; E149-L151 VanDerWaalsContact O-N 3.16Å; E149-A152 WeakPolarHBondContact O-CB 3.41Å; E149-A152 PolarHBondContact O-N 3.19Å
150N88.6Confident89.3Confident66 Ų6645.9 Ų45.935%0.35326%0.26SS..G310 helixtrans-62.8-23.3176.9-64.6-11.6000112.3S146 R147 V148 A152 T153 I160S146-N150 WeakPolarHBondContact OG-CB 3.43Å; S146-N150 PolarHBondContact OG-ND2 3.46Å; R147-N150 WeakPolarHBondContact O-CB 3.34Å; R147-N150 PolarHBondContact O-N 3.38Å; V148-N150 PolarHBondContact O-N 3.29Å; N150-A152 PolarHBondContact O-N 2.94Å; N150-T153 PolarHBondContact O-N 2.93Å; N150-T153 PolarHBondContact O-OG1 3.39Å; N150-I160 HydrophobicContact CB-CD1 3.99Å
151L87.3Confident89.2Confident23 Ų2348.3 Ų48.312%0.1226%0.261CS..G310 helixtrans-73.2-18.9175.5-61.9-174.7000113.1L73 V148 E149 I160 R161 P165 L167L73-L151 HydrophobicContact CD1-CD1 4.46Å; V148-L151 WeakPolarHBondContact O-CB 3.4Å; V148-L151 PolarHBondContact O-N 2.99Å; E149-L151 PolarHBondContact O-N 2.86Å; E149-L151 VanDerWaalsContact O-N 3.16Å; L151-I160 HydrophobicContact CD2-CB 4.3Å; L151-I160 HydrophobicContact CD2-CG2 3.71Å; L151-R161 HydrophobicContact CD2-CG 4.04Å; L151-P165 HydrophobicContact CD2-CG 4.36Å; L151-L167 HydrophobicContact CD1-CD1 3.72Å; L151-L167 HydrophobicContact CD1-CD2 3.69Å; L151-L167 HydrophobicContact CD1-CG 4.36Å; L151-L167 HydrophobicContact CD2-CD2 4.41Å; L151-L167 HydrophobicContact CG-CD2 4.03Å
152A86.6Confident89.2Confident85 Ų8548 Ų4870%0.70226%0.26SS*.G310 helixtrans-86.6-10.1177.300000112.5E149 N150 P154E149-A152 WeakPolarHBondContact O-CB 3.41Å; E149-A152 PolarHBondContact O-N 3.19Å; N150-A152 PolarHBondContact O-N 2.94Å; A152-P154 WeakPolarHBondContact O-CD 3.5Å
153T85.6Confident89Confident60 Ų6049.1 Ų49.137%0.36826%0.264SS..SBendtrans-61.9125.7178.2-51.80000110.6N150 V155 F156 G157N150-T153 PolarHBondContact O-N 2.93Å; N150-T153 PolarHBondContact O-OG1 3.39Å; T153-V155 PolarHBondContact O-N 2.72Å; T153-F156 HydrophobicContact CG2-CB 4.04Å; T153-F156 HydrophobicContact CG2-CD2 4.38Å; T153-G157 WeakPolarHBondContact O-CA 3.41Å; T153-G157 PolarHBondContact O-N 3.37Å
154P79.1Confident88.9Confident107 Ų10750 Ų5070%0.69527%0.268SS*.THydrogen-bonded Turntrans-55.3140.1177.1-25.834.5000111.5A152 F156A152-P154 WeakPolarHBondContact O-CD 3.5Å; P154-F156 PolarHBondContact O-N 3Å
155V82.4Confident88.9Confident61 Ų6149.5 Ų49.537%0.3727%0.265SS..THydrogen-bonded Turntrans64.6-61.9-175.5-173.70000114L57 W61 T153 G157 R158 I159L57-V155 HydrophobicContact CD2-CG1 4.32Å; W61-V155 HydrophobicContact CB-CG1 4.26Å; W61-V155 HydrophobicContact CG-CG1 4.38Å; T153-V155 PolarHBondContact O-N 2.72Å; V155-G157 VanDerWaalsContact C-N 3.33Å; V155-G157 PolarHBondContact O-N 3.21Å; V155-R158 PolarHBondContact O-N 3.44Å; V155-I159 HydrophobicContact CG1-CD1 4.44Å
156F85.4Confident89Confident82 Ų8247 Ų4736%0.3625%0.251SS..Hα-helixtrans-63.5-33.8-176-71.6-79.8000113.4L57 T153 P154 R158 I159 I160L57-F156 HydrophobicContact CD1-CZ 4.13Å; L57-F156 HydrophobicContact CD2-CE1 4.13Å; L57-F156 HydrophobicContact CD2-CZ 4.11Å; T153-F156 HydrophobicContact CG2-CB 4.04Å; T153-F156 HydrophobicContact CG2-CD2 4.38Å; P154-F156 PolarHBondContact O-N 3Å; F156-R158 PolarHBondContact O-N 3.17Å; F156-R158 VanDerWaalsContact O-N 3.16Å; F156-I159 WeakPolarHBondContact O-CB 3.21Å; F156-I159 PolarHBondContact O-N 3.32Å; F156-I160 VanDerWaalsContact O-CG1 3.3Å; F156-I160 WeakPolarHBondContact O-CG1 3.45Å; F156-I160 PolarHBondContact O-N 3.35Å
157G87.5Confident89Confident2 Ų247.7 Ų47.72%0.02125%0.253CS..Hα-helixtrans-58-32.317900000112.8T153 V155 R161T153-G157 WeakPolarHBondContact O-CA 3.41Å; T153-G157 PolarHBondContact O-N 3.37Å; V155-G157 VanDerWaalsContact C-N 3.33Å; V155-G157 PolarHBondContact O-N 3.21Å; G157-R161 WeakPolarHBondContact O-CG 3.39Å
158R89.4Confident89Confident42 Ų4244.6 Ų44.616%0.15825%0.246CC..Hα-helixtrans-75.9-38.8175.4-164.563137.7147.3-7.8112.1A64 T68 V155 F156 R161A64-R158 HydrophobicContact CB-CG 4.1Å; T68-R158 PolarHBondContact O-NH1 3.45Å; T68-R158 VanDerWaalsContact OG1-CD 3.27Å; T68-R158 WeakPolarHBondContact OG1-CD 3.37Å; T68-R158 VanDerWaalsContact OG1-CZ 3.27Å; T68-R158 PolarHBondContact OG1-NE 2.86Å; T68-R158 PolarHBondContact OG1-NH1 3.38Å; V155-R158 PolarHBondContact O-N 3.44Å; F156-R158 PolarHBondContact O-N 3.17Å; F156-R158 VanDerWaalsContact O-N 3.16Å; R158-R161 WeakPolarHBondContact O-CB 3.43Å; R158-R161 PolarHBondContact O-N 3.34Å
159I91.4Very high88.9Confident22 Ų2243.6 Ų43.611%0.11324%0.241CC..Hα-helixtrans-63.4-44.8176.8-62.8172.9000109.8L57 T60 A64 M92 V155 F156 R161 C162 F163L57-I159 HydrophobicContact CD2-CD1 4.04Å; T60-I159 HydrophobicContact CG2-CD1 3.73Å; T60-I159 HydrophobicContact CG2-CG1 4.02Å; A64-I159 HydrophobicContact CB-CG1 4.12Å; M92-I159 HydrophobicContact CE-CG1 4.43Å; M92-I159 HydrophobicContact CE-CG2 3.93Å; V155-I159 HydrophobicContact CG1-CD1 4.44Å; F156-I159 WeakPolarHBondContact O-CB 3.21Å; F156-I159 PolarHBondContact O-N 3.32Å; I159-R161 PolarHBondContact O-N 3.21Å; I159-C162 WeakPolarHBondContact O-CB 3.45Å; I159-C162 PolarHBondContact O-N 3.13Å; I159-F163 HydrophobicContact CG2-CE2 4.14Å; I159-F163 WeakPolarHBondContact O-CD2 3.41Å; I159-F163 WeakPolarHBondContact O-CE2 3.39Å
160I91.1Very high88.4Confident35 Ų3545.4 Ų45.418%0.17924%0.244CC..Hα-helixtrans-57.7-33.6177.9-69167.6000111.7N150 L151 F156 C162 F163 P165N150-I160 HydrophobicContact CB-CD1 3.99Å; L151-I160 HydrophobicContact CD2-CB 4.3Å; L151-I160 HydrophobicContact CD2-CG2 3.71Å; F156-I160 VanDerWaalsContact O-CG1 3.3Å; F156-I160 WeakPolarHBondContact O-CG1 3.45Å; F156-I160 PolarHBondContact O-N 3.35Å; I160-C162 PolarHBondContact O-N 3.12Å; I160-F163 WeakPolarHBondContact O-CB 3.46Å; I160-F163 WeakPolarHBondContact O-CD2 3.44Å; I160-F163 PolarHBondContact O-N 3.37Å; I160-F163 VanDerWaalsContact O-N 3.11Å; I160-P165 HydrophobicContact CG2-CG 4.03Å; I160-P165 WeakPolarHBondContact O-CD 3.42Å
161R91.8Very high88.1Confident78 Ų7848.2 Ų48.229%0.29426%0.263SS..G310 helixtrans-64-23.1176.4-63.7172.3-173.6-158.6-0.8113.5T68 L73 L151 G157 R158 I159 F163 Q164T68-R161 HydrophobicContact CG2-CB 3.71Å; L73-R161 HydrophobicContact CD1-CG 4.11Å; L73-R161 VanDerWaalsContact CD1-CZ 3.45Å; L73-R161 HydrophobicContact CD2-CB 4.01Å; L73-R161 HydrophobicContact CD2-CG 3.59Å; L73-R161 HydrophobicContact CG-CG 4.48Å; L151-R161 HydrophobicContact CD2-CG 4.04Å; G157-R161 WeakPolarHBondContact O-CG 3.39Å; R158-R161 WeakPolarHBondContact O-CB 3.43Å; R158-R161 PolarHBondContact O-N 3.34Å; I159-R161 PolarHBondContact O-N 3.21Å; R161-F163 PolarHBondContact O-N 2.82Å; R161-Q164 PolarHBondContact O-N 2.88Å; R161-Q164 VanDerWaalsContact O-N 3.08Å
162C92.8Very high87.9Confident5 Ų550.2 Ų50.23%0.03427%0.274CS..G310 helixtrans-67.5-23.1176.4-58.40000112.2I159 I160 Q164I159-C162 WeakPolarHBondContact O-CB 3.45Å; I159-C162 PolarHBondContact O-N 3.13Å; I160-C162 PolarHBondContact O-N 3.12Å; C162-Q164 PolarHBondContact O-N 3.07Å
163F92.3Very high87.7Confident28 Ų2851.8 Ų51.812%0.12328%0.277CS..G310 helixtrans-80.7-3.4174.7-58.1-109.9000112C136 L141 S143 T144 I159 I160 R161C136-F163 HydrophobicContact CB-CD1 4.12Å; C136-F163 HydrophobicContact CB-CE1 3.51Å; L141-F163 HydrophobicContact CD2-CD1 3.84Å; L141-F163 HydrophobicContact CD2-CD2 4.5Å; L141-F163 HydrophobicContact CD2-CE1 3.19Å; L141-F163 HydrophobicContact CD2-CE2 3.95Å; L141-F163 HydrophobicContact CD2-CG 4.46Å; L141-F163 HydrophobicContact CD2-CZ 3.27Å; L141-F163 HydrophobicContact CG-CE1 4.49Å; S143-F163 VanDerWaalsContact CA-O 3.3Å; S143-F163 WeakPolarHBondContact CA-O 3.5Å; T144-F163 HydrophobicContact CG2-CB 4.41Å; T144-F163 HydrophobicContact CG2-CD1 3.82Å; T144-F163 HydrophobicContact CG2-CG 4.46Å; I159-F163 HydrophobicContact CG2-CE2 4.14Å; I159-F163 WeakPolarHBondContact O-CD2 3.41Å; I159-F163 WeakPolarHBondContact O-CE2 3.39Å; I160-F163 WeakPolarHBondContact O-CB 3.46Å; I160-F163 WeakPolarHBondContact O-CD2 3.44Å; I160-F163 PolarHBondContact O-N 3.37Å; I160-F163 VanDerWaalsContact O-N 3.11Å; R161-F163 PolarHBondContact O-N 2.82Å
164Q93.3Very high87.7Confident18 Ų1853.3 Ų53.38%0.08428%0.283CS..  trans44.953.2-172.9-56.5-169-90.700113.2E78 M80 R161 C162 R186 W193E78-Q164 PolarHBondContact O-NE2 2.95Å; M80-Q164 HydrophobicContact CE-CG 3.74Å; M80-Q164 HydrophobicContact CG-CG 4.16Å; R161-Q164 PolarHBondContact O-N 2.88Å; R161-Q164 VanDerWaalsContact O-N 3.08Å; C162-Q164 PolarHBondContact O-N 3.07Å; Q164-R186 PolarHBondContact O-NH1 2.8Å; Q164-R186 PolarHBondContact O-NH2 3.31Å; Q164-W193 HydrophobicContact CB-CZ3 4.15Å
165P93.9Very high88Confident7 Ų748.4 Ų48.45%0.04525%0.251CS..PPolyproline II helixtrans-62.6147.5-165.828-37.7000112.9T144 L151 I160 L167T144-P165 CarbonylContact O-C 3.56Å; T144-P165 WeakPolarHBondContact O-CA 3.24Å; L151-P165 HydrophobicContact CD2-CG 4.36Å; I160-P165 HydrophobicContact CG2-CG 4.03Å; I160-P165 WeakPolarHBondContact O-CD 3.42Å; P165-L167 HydrophobicContact CB-CD2 4.28Å; P165-L167 HydrophobicContact CG-CD2 3.85Å; P165-L167 PolarHBondContact O-N 3.25Å
166V93.6Very high88.2Confident4 Ų454.7 Ų54.72%0.02427%0.268CS..EExtended strand (participates in β ladder)trans-73.1117.4159.9-176.90000107.5T144 V145 S146 T179 A182 I183 R186T144-V166 PolarHBondContact O-N 2.77Å; V145-V166 WeakPolarHBondContact CA-O 3.28Å; V145-V166 HydrophobicContact CG2-CB 4.29Å; S146-V166 PolarHBondContact N-O 3.28Å; V166-T179 HydrophobicContact CG1-CG2 3.85Å; V166-A182 HydrophobicContact CG1-CB 3.74Å; V166-A182 HydrophobicContact CG2-CB 4.19Å; V166-I183 HydrophobicContact CG1-CG1 4.39Å; V166-I183 HydrophobicContact CG2-CG1 4.3Å; V166-R186 VanDerWaalsContact CG2-NH1 3.33Å
167L91.1Very high88.3Confident27 Ų2757.2 Ų57.214%0.14128%0.279CS..EExtended strand (participates in β ladder)trans-89.5131.5-172.9-63.8177.2000112.1K74 S146 V148 L151 P165K74-L167 HydrophobicContact CG-CD1 4.2Å; S146-L167 CarbonylContact O-C 3.58Å; S146-L167 WeakPolarHBondContact O-CA 3.11Å; V148-L167 HydrophobicContact CG2-CB 3.93Å; L151-L167 HydrophobicContact CD1-CD1 3.72Å; L151-L167 HydrophobicContact CD1-CD2 3.69Å; L151-L167 HydrophobicContact CD1-CG 4.36Å; L151-L167 HydrophobicContact CD2-CD2 4.41Å; L151-L167 HydrophobicContact CG-CD2 4.03Å; P165-L167 HydrophobicContact CB-CD2 4.28Å; P165-L167 HydrophobicContact CG-CD2 3.85Å; P165-L167 PolarHBondContact O-N 3.25Å
168V89.1Confident88.5Confident43 Ų4361.1 Ų61.126%0.26130%0.299SS..EExtended strand (participates in β ladder)trans-116.5134.1176.7-169.20000109.5V145 S146 R147 V148 T179V145-V168 HydrophobicContact CG1-CG2 3.41Å; V145-V168 VanDerWaalsContact CG1-CG2 3.41Å; S146-V168 PolarHBondContact O-N 3.08Å; R147-V168 VanDerWaalsContact CA-O 3.32Å; R147-V168 WeakPolarHBondContact CA-O 3.3Å; V148-V168 PolarHBondContact N-O 3.02Å; V168-T179 HydrophobicContact CG2-CG2 3.81Å
169S86Confident88.5Confident21 Ų2159.8 Ų59.815%0.14730%0.296CS..  trans-121.5146.8174.1174.30000109.2T171 D172 S175S169-T171 PolarHBondContact OG-N 3.24Å; S169-T171 VanDerWaalsContact OG-N 3.16Å; S169-T171 PolarHBondContact OG-OG1 2.91Å; S169-D172 PolarHBondContact OG-N 2.72Å; S169-S175 PolarHBondContact N-OG 3.22Å; S169-S175 VanDerWaalsContact O-CB 3.29Å; S169-S175 WeakPolarHBondContact O-CB 3.42Å; S169-S175 PolarHBondContact O-OG 3.08Å
170R79.2Confident88.5Confident138 Ų13860.7 Ų60.752%0.52130%0.301SS..SBendtrans-94-15.7173.7-68.5177.1170.1-160.9-14112.9R147 Y304R147-R170 VanDerWaalsContact CZ-CZ 3.47Å; R147-R170 VanDerWaalsContact NH2-CZ 3.33Å; R170-Y304 PolarHBondContact NH1-OH 3.15Å; R170-Y304 PolarHBondContact NH2-OH 3.4Å
171T81.7Confident88.6Confident124 Ų12463.4 Ų63.476%0.76132%0.315SS*.SBendtrans-94.3-23.7-177.955.60000112.3S169S169-T171 PolarHBondContact OG-N 3.24Å; S169-T171 VanDerWaalsContact OG-N 3.16Å; S169-T171 PolarHBondContact OG-OG1 2.91Å
172D83.8Confident88.7Confident65 Ų6561 Ų6135%0.34831%0.312SS..  trans-89.3114.9179.2167.919.8000109.9S169 D174 S175S169-D172 PolarHBondContact OG-N 2.72Å; D172-D174 PolarHBondContact O-N 2.79Å; D172-D174 PolarHBondContact OD1-N 3.25Å; D172-S175 WeakPolarHBondContact O-CB 3.5Å; D172-S175 PolarHBondContact O-N 3.13Å; D172-S175 VanDerWaalsContact O-N 3.08Å; D172-S175 PolarHBondContact OD2-N 2.62Å
173P80.7Confident88.8Confident119 Ų11961 Ų6177%0.77331%0.312SS*.THydrogen-bonded Turntrans-62.3-29.4-177.925.7-33.8000112.7S175P173-S175 VanDerWaalsContact C-N 3.33Å
174D85.7Confident89Confident91 Ų9162.4 Ų62.449%0.48732%0.319SS..THydrogen-bonded Turntrans-85.5-7.7179.3-71.7-46.5000112.8D172 R176 K177 N178D172-D174 PolarHBondContact O-N 2.79Å; D172-D174 PolarHBondContact OD1-N 3.25Å; D174-R176 VanDerWaalsContact C-N 3.26Å; D174-R176 PolarHBondContact O-N 3.4Å; D174-R176 VanDerWaalsContact O-N 3.17Å; D174-K177 WeakPolarHBondContact O-CB 3.19Å; D174-K177 PolarHBondContact O-N 3.11Å; D174-N178 PolarHBondContact O-N 2.84Å; D174-N178 PolarHBondContact O-ND2 2.74Å
175S86.8Confident89Confident5 Ų565.4 Ų65.44%0.03534%0.342CS..Hα-helixtrans-58.1-38.7-172.5-175.30000112.8S169 D172 P173 N178 T179S169-S175 PolarHBondContact N-OG 3.22Å; S169-S175 VanDerWaalsContact O-CB 3.29Å; S169-S175 WeakPolarHBondContact O-CB 3.42Å; S169-S175 PolarHBondContact O-OG 3.08Å; D172-S175 WeakPolarHBondContact O-CB 3.5Å; D172-S175 PolarHBondContact O-N 3.13Å; D172-S175 VanDerWaalsContact O-N 3.08Å; D172-S175 PolarHBondContact OD2-N 2.62Å; P173-S175 VanDerWaalsContact C-N 3.33Å; S175-N178 PolarHBondContact O-N 3.04Å; S175-T179 VanDerWaalsContact O-CB 3.27Å; S175-T179 WeakPolarHBondContact O-CB 3.13Å; S175-T179 PolarHBondContact O-N 3.12Å; S175-T179 PolarHBondContact O-OG1 3.27Å
176R84.8Confident89.1Confident193 Ų19366 Ų6673%0.72834%0.343SS*.Hα-helixtrans-62.8-45.8177.3-175.1178.5179.8-179.8-0.4111.4D174 T179 I180D174-R176 VanDerWaalsContact C-N 3.26Å; D174-R176 PolarHBondContact O-N 3.4Å; D174-R176 VanDerWaalsContact O-N 3.17Å; R176-T179 PolarHBondContact O-N 3.4Å; R176-I180 HydrophobicContact CG-CD1 4.17Å; R176-I180 VanDerWaalsContact O-CG1 3.31Å; R176-I180 WeakPolarHBondContact O-CG1 3.32Å; R176-I180 PolarHBondContact O-N 3.46Å; R176-I180 VanDerWaalsContact O-N 3.09Å
177K88.7Confident89.2Confident135 Ų13566 Ų6659%0.58734%0.344SS*.Hα-helixtrans-63.5-47.7178.3-175.6-179.1177.6-176.80110.6D174 T179 I180 L181D174-K177 WeakPolarHBondContact O-CB 3.19Å; D174-K177 PolarHBondContact O-N 3.11Å; K177-T179 VanDerWaalsContact C-N 3.31Å; K177-T179 PolarHBondContact O-N 3.24Å; K177-I180 PolarHBondContact O-N 2.96Å; K177-L181 HydrophobicContact CG-CD1 4.25Å; K177-L181 WeakPolarHBondContact O-CG 3.32Å; K177-L181 PolarHBondContact O-N 2.85Å
178N90.4Very high89.4Confident83 Ų8370 Ų7044%0.44436%0.36SS..Hα-helixtrans-61.5-38.8178.2-67.7-26000112.3D174 S175 L181 A182D174-N178 PolarHBondContact O-N 2.84Å; D174-N178 PolarHBondContact O-ND2 2.74Å; S175-N178 PolarHBondContact O-N 3.04Å; N178-L181 PolarHBondContact O-N 3.48Å; N178-A182 WeakPolarHBondContact O-CB 3.37Å; N178-A182 PolarHBondContact O-N 3.37Å
179T91.4Very high89.7Confident14 Ų1469.1 Ų69.19%0.08636%0.356CS..Hα-helixtrans-62.1-46.6175.3-61.30000111.2V166 V168 S175 R176 K177 A182 I183V166-T179 HydrophobicContact CG1-CG2 3.85Å; V168-T179 HydrophobicContact CG2-CG2 3.81Å; S175-T179 VanDerWaalsContact O-CB 3.27Å; S175-T179 WeakPolarHBondContact O-CB 3.13Å; S175-T179 PolarHBondContact O-N 3.12Å; S175-T179 PolarHBondContact O-OG1 3.27Å; R176-T179 PolarHBondContact O-N 3.4Å; K177-T179 VanDerWaalsContact C-N 3.31Å; K177-T179 PolarHBondContact O-N 3.24Å; T179-A182 PolarHBondContact O-N 3.01Å; T179-I183 HydrophobicContact CG2-CD1 3.85Å; T179-I183 VanDerWaalsContact O-CG1 3.3Å; T179-I183 WeakPolarHBondContact O-CG1 3.43Å; T179-I183 PolarHBondContact O-N 2.9Å
180I91.5Very high90Very high42 Ų4276.6 Ų76.622%0.21539%0.388CS..Hα-helixtrans-62.5-47.9179.1-68.8164.7000110.3R176 K177 A182 I183 E184 I219R176-I180 HydrophobicContact CG-CD1 4.17Å; R176-I180 VanDerWaalsContact O-CG1 3.31Å; R176-I180 WeakPolarHBondContact O-CG1 3.32Å; R176-I180 PolarHBondContact O-N 3.46Å; R176-I180 VanDerWaalsContact O-N 3.09Å; K177-I180 PolarHBondContact O-N 2.96Å; I180-A182 VanDerWaalsContact C-N 3.31Å; I180-A182 PolarHBondContact O-N 3.49Å; I180-I183 PolarHBondContact O-N 3.06Å; I180-E184 WeakPolarHBondContact O-CB 3.44Å; I180-E184 PolarHBondContact O-N 2.83Å; I180-I219 HydrophobicContact CD1-CD1 3.72Å; I180-I219 HydrophobicContact CG1-CD1 3.85Å; I180-I219 HydrophobicContact CG2-CD1 4.06Å; I180-I219 HydrophobicContact CG2-CG2 3.83Å
181L92.9Very high90.5Very high91 Ų9170.9 Ų70.948%0.47637%0.372SS..Hα-helixtrans-59.5-41.1177.8-70.5172.5000112.2K177 N178 E184 S185K177-L181 HydrophobicContact CG-CD1 4.25Å; K177-L181 WeakPolarHBondContact O-CG 3.32Å; K177-L181 PolarHBondContact O-N 2.85Å; N178-L181 PolarHBondContact O-N 3.48Å; L181-E184 PolarHBondContact O-N 3.38Å; L181-S185 VanDerWaalsContact O-CB 3.27Å; L181-S185 WeakPolarHBondContact O-CB 3.47Å; L181-S185 PolarHBondContact O-N 2.95Å
182A93.4Very high91Very high29 Ų2972.6 Ų72.624%0.2437%0.365CS..Hα-helixtrans-67.6-41.8177.400000112.4V166 N178 T179 I180 R186V166-A182 HydrophobicContact CG1-CB 3.74Å; V166-A182 HydrophobicContact CG2-CB 4.19Å; N178-A182 WeakPolarHBondContact O-CB 3.37Å; N178-A182 PolarHBondContact O-N 3.37Å; T179-A182 PolarHBondContact O-N 3.01Å; I180-A182 VanDerWaalsContact C-N 3.31Å; I180-A182 PolarHBondContact O-N 3.49Å; A182-R186 WeakPolarHBondContact O-CB 3.46Å; A182-R186 WeakPolarHBondContact O-CG 3.28Å; A182-R186 PolarHBondContact O-N 3.26Å; A182-R186 VanDerWaalsContact O-N 3.12Å
183I94.7Very high91.6Very high4 Ų470.2 Ų70.22%0.02135%0.351CS..Hα-helixtrans-62.6-46.4174.8-68.9167000109.8I121 V145 V166 T179 I180 R186 A187 I198 P220I121-I183 HydrophobicContact CD1-CG2 4.31Å; V145-I183 HydrophobicContact CG2-CD1 4.1Å; V145-I183 HydrophobicContact CG2-CG1 4.46Å; V166-I183 HydrophobicContact CG1-CG1 4.39Å; V166-I183 HydrophobicContact CG2-CG1 4.3Å; T179-I183 HydrophobicContact CG2-CD1 3.85Å; T179-I183 VanDerWaalsContact O-CG1 3.3Å; T179-I183 WeakPolarHBondContact O-CG1 3.43Å; T179-I183 PolarHBondContact O-N 2.9Å; I180-I183 PolarHBondContact O-N 3.06Å; I183-R186 PolarHBondContact O-N 3.46Å; I183-A187 WeakPolarHBondContact O-CB 3.39Å; I183-A187 PolarHBondContact O-N 2.75Å; I183-I198 HydrophobicContact CD1-CD1 3.98Å; I183-I198 HydrophobicContact CG1-CD1 4.42Å; I183-I198 HydrophobicContact CG2-CD1 4.25Å; I183-P220 HydrophobicContact CG2-CG 3.98Å
184E95.4Very high92.2Very high57 Ų5766.2 Ų66.227%0.26633%0.325SS..Hα-helixtrans-62.3-48.6-179.6-176.9170.3-156.800112.2I180 L181 R186 A187 K188 P220I180-E184 WeakPolarHBondContact O-CB 3.44Å; I180-E184 PolarHBondContact O-N 2.83Å; L181-E184 PolarHBondContact O-N 3.38Å; E184-R186 VanDerWaalsContact C-N 3.31Å; E184-R186 PolarHBondContact O-N 3.2Å; E184-A187 PolarHBondContact O-N 3.25Å; E184-K188 HydrophobicContact CG-CD 3.91Å; E184-K188 WeakPolarHBondContact O-CB 3.45Å; E184-K188 PolarHBondContact O-N 2.8Å; E184-K188 IonicContact OE1-NZ 3.65Å; E184-K188 PolarHBondContact OE1-NZ 2.63Å; E184-P220 HydrophobicContact CB-CG 4.35Å; E184-P220 HydrophobicContact CG-CB 4.49Å
185S94.7Very high92.7Very high81 Ų8162.4 Ų62.457%0.56630%0.304SS*.Hα-helixtrans-58-41.7177.5173.90000112.3L181L181-S185 VanDerWaalsContact O-CB 3.27Å; L181-S185 WeakPolarHBondContact O-CB 3.47Å; L181-S185 PolarHBondContact O-N 2.95Å
186R94.9Very high93.2Very high19 Ų1962.1 Ų62.17%0.07230%0.303CS..Hα-helixtrans-72.5-41.6178.3-67.5176.8-174-164.80.5111.9S143 Q164 V166 A182 I183 E184 K188 S189 W193 V196S143-R186 PolarHBondContact OG-NH1 2.71Å; Q164-R186 PolarHBondContact O-NH1 2.8Å; Q164-R186 PolarHBondContact O-NH2 3.31Å; V166-R186 VanDerWaalsContact CG2-NH1 3.33Å; A182-R186 WeakPolarHBondContact O-CB 3.46Å; A182-R186 WeakPolarHBondContact O-CG 3.28Å; A182-R186 PolarHBondContact O-N 3.26Å; A182-R186 VanDerWaalsContact O-N 3.12Å; I183-R186 PolarHBondContact O-N 3.46Å; E184-R186 VanDerWaalsContact C-N 3.31Å; E184-R186 PolarHBondContact O-N 3.2Å; R186-K188 VanDerWaalsContact C-N 3.35Å; R186-K188 PolarHBondContact O-N 2.71Å; R186-S189 VanDerWaalsContact O-CB 3.24Å; R186-S189 WeakPolarHBondContact O-CB 3.38Å; R186-S189 PolarHBondContact O-N 3.4Å; R186-S189 PolarHBondContact O-OG 2.97Å; R186-W193 HydrophobicContact CB-CB 4.22Å; R186-W193 HydrophobicContact CB-CD2 4.32Å; R186-W193 HydrophobicContact CB-CG 4.03Å; R186-W193 HydrophobicContact CG-CB 4.5Å; R186-W193 HydrophobicContact CG-CD2 3.65Å; R186-W193 HydrophobicContact CG-CE3 4.02Å; R186-W193 HydrophobicContact CG-CG 3.85Å; R186-W193 HydrophobicContact CG-CZ2 4.41Å; R186-V196 HydrophobicContact CB-CG2 3.82Å
187A96Very high93.9Very high6 Ų653.1 Ų53.15%0.0527%0.269CS..Hα-helixtrans-70.8-32.1-176.400000112.6P120 I121 I183 E184 S189 P220 V222P120-A187 HydrophobicContact CB-CB 4.22Å; P120-A187 VanDerWaalsContact CB-O 3.26Å; P120-A187 WeakPolarHBondContact CB-O 3.26Å; P120-A187 HydrophobicContact CG-CB 4.29Å; P120-A187 VanDerWaalsContact CG-O 3.31Å; P120-A187 WeakPolarHBondContact CG-O 3.49Å; I121-A187 HydrophobicContact CD1-CB 3.89Å; I121-A187 HydrophobicContact CG1-CB 4.02Å; I183-A187 WeakPolarHBondContact O-CB 3.39Å; I183-A187 PolarHBondContact O-N 2.75Å; E184-A187 PolarHBondContact O-N 3.25Å; A187-S189 VanDerWaalsContact C-N 3.3Å; A187-S189 PolarHBondContact O-N 3.25Å; A187-P220 HydrophobicContact CB-CB 4.24Å; A187-P220 HydrophobicContact CB-CG 4.29Å; A187-V222 HydrophobicContact CB-CG2 4.07Å
188K95.8Very high94.3Very high110 Ų11047.5 Ų47.548%0.47825%0.245SC..THydrogen-bonded Turntrans-92.119176.4-64.8-179.8176.41730113.4E184 R186 E190 P220 V222E184-K188 HydrophobicContact CG-CD 3.91Å; E184-K188 WeakPolarHBondContact O-CB 3.45Å; E184-K188 PolarHBondContact O-N 2.8Å; E184-K188 IonicContact OE1-NZ 3.65Å; E184-K188 PolarHBondContact OE1-NZ 2.63Å; R186-K188 VanDerWaalsContact C-N 3.35Å; R186-K188 PolarHBondContact O-N 2.71Å; K188-E190 VanDerWaalsContact C-N 3.29Å; K188-E190 PolarHBondContact O-N 3.46Å; K188-P220 WeakPolarHBondContact CE-O 3.36Å; K188-V222 HydrophobicContact CG-CG1 4.07Å
189S94.3Very high94.6Very high25 Ų2545.4 Ų45.418%0.17523%0.232CC..SBendtrans-86.78.7-175.472.70000115.1R186 A187 G191 R192 W193R186-S189 VanDerWaalsContact O-CB 3.24Å; R186-S189 WeakPolarHBondContact O-CB 3.38Å; R186-S189 PolarHBondContact O-N 3.4Å; R186-S189 PolarHBondContact O-OG 2.97Å; A187-S189 VanDerWaalsContact C-N 3.3Å; A187-S189 PolarHBondContact O-N 3.25Å; S189-G191 PolarHBondContact O-N 3.19Å; S189-G191 VanDerWaalsContact O-N 3.14Å; S189-R192 VanDerWaalsContact O-CB 3.24Å; S189-R192 WeakPolarHBondContact O-CB 3.43Å; S189-R192 PolarHBondContact O-N 3.34Å; S189-W193 WeakPolarHBondContact OG-CB 3.27Å; S189-W193 PolarHBondContact OG-N 3.32Å
190E92.8Very high94.8Very high177 Ų17744.8 Ų44.883%0.82723%0.228SC*.THydrogen-bonded Turntrans52.139178.1-58.3-176.7169.800113.2K188 R192K188-E190 VanDerWaalsContact C-N 3.29Å; K188-E190 PolarHBondContact O-N 3.46Å; E190-R192 PolarHBondContact O-N 2.86Å
191G90Very high95Very high18 Ų1842.8 Ų42.819%0.18622%0.218CC..THydrogen-bonded Turntrans84.11.3178.300000115.7S116 S189 W193S116-G191 WeakPolarHBondContact OG-CA 3.33Å; S189-G191 PolarHBondContact O-N 3.19Å; S189-G191 VanDerWaalsContact O-N 3.14Å; G191-W193 VanDerWaalsContact C-N 3.28Å; G191-W193 PolarHBondContact O-N 3.42Å
192R92.9Very high94.8Very high160 Ų16040 Ų4060%0.60421%0.211SC*.SBendtrans-61.3-38.8171.2-175.3-173.7171.2136.8-7111.4E78 P79 S189 E190E78-R192 IonicContact OE2-CZ 3.99Å; E78-R192 IonicContact OE2-NE 3.34Å; E78-R192 IonicContact OE2-NH2 2.62Å; E78-R192 PolarHBondContact OE2-NH2 3.03Å; P79-R192 HydrophobicContact CG-CG 3.99Å; S189-R192 VanDerWaalsContact O-CB 3.24Å; S189-R192 WeakPolarHBondContact O-CB 3.43Å; S189-R192 PolarHBondContact O-N 3.34Å; E190-R192 PolarHBondContact O-N 2.86Å
193W94.9Very high94.7Very high15 Ų1539.2 Ų39.26%0.05720%0.204CC..SBendtrans-89.8148.7171.5-77.584.9000112.1V77 P79 S116 Q164 R186 S189 G191V77-W193 HydrophobicContact CG1-CH2 4.07Å; V77-W193 VanDerWaalsContact O-CZ2 3.26Å; V77-W193 WeakPolarHBondContact O-CZ2 3.21Å; P79-W193 HydrophobicContact CB-CD2 3.75Å; P79-W193 HydrophobicContact CB-CE3 3.88Å; P79-W193 HydrophobicContact CB-CG 4.24Å; P79-W193 HydrophobicContact CB-CH2 4.27Å; P79-W193 HydrophobicContact CB-CZ2 4.19Å; P79-W193 HydrophobicContact CB-CZ3 4.13Å; P79-W193 HydrophobicContact CG-CD2 4.14Å; P79-W193 HydrophobicContact CG-CG 4.38Å; P79-W193 HydrophobicContact CG-CZ2 4.28Å; S116-W193 WeakPolarHBondContact CB-O 3.23Å; S116-W193 PolarHBondContact OG-O 3.45Å; Q164-W193 HydrophobicContact CB-CZ3 4.15Å; R186-W193 HydrophobicContact CB-CB 4.22Å; R186-W193 HydrophobicContact CB-CD2 4.32Å; R186-W193 HydrophobicContact CB-CG 4.03Å; R186-W193 HydrophobicContact CG-CB 4.5Å; R186-W193 HydrophobicContact CG-CD2 3.65Å; R186-W193 HydrophobicContact CG-CE3 4.02Å; R186-W193 HydrophobicContact CG-CG 3.85Å; R186-W193 HydrophobicContact CG-CZ2 4.41Å; S189-W193 WeakPolarHBondContact OG-CB 3.27Å; S189-W193 PolarHBondContact OG-N 3.32Å; G191-W193 VanDerWaalsContact C-N 3.28Å; G191-W193 PolarHBondContact O-N 3.42Å
194P93.9Very high94.6Very high35 Ų3539.5 Ų39.523%0.22721%0.206CC..PPolyproline II helixtrans-59.4160.4161.229-36.1000110.4
195Q96.9Very high94.5Very high11 Ų1136.8 Ų36.85%0.05119%0.193CC..PPolyproline II helixtrans-54.2150.2176.5-71.5172.3-66.100111.2V114 A119 P120 L122 P142 S143V114-Q195 PolarHBondContact O-NE2 3.38Å; V114-Q195 PolarHBondContact O-OE1 2.88Å; A119-Q195 WeakPolarHBondContact O-CG 3.32Å; A119-Q195 PolarHBondContact O-NE2 2.74Å; P120-Q195 CarbonylContact O-C 3.52Å; P120-Q195 WeakPolarHBondContact O-CA 3.01Å; L122-Q195 HydrophobicContact CD1-CB 4.05Å; L122-Q195 HydrophobicContact CG-CB 4.08Å; P142-Q195 CarbonylContact C-O 3.58Å; P142-Q195 WeakPolarHBondContact CA-O 3.4Å; P142-Q195 HydrophobicContact CB-CB 4.37Å; P142-Q195 WeakPolarHBondContact CB-O 3.45Å; S143-Q195 PolarHBondContact N-O 2.86Å
196V97.5Very high94.4Very high0 Ų033.6 Ų33.60%017%0.17CC..EExtended strand (participates in β ladder)trans-97.7114.4173.5-172.20000108.9P120 I121 L122 S143 R186 I198P120-V196 PolarHBondContact O-N 2.79Å; I121-V196 CarbonylContact C-O 3.54Å; I121-V196 VanDerWaalsContact CA-O 3.31Å; I121-V196 WeakPolarHBondContact CA-O 3.35Å; I121-V196 HydrophobicContact CG1-CB 4.45Å; L122-V196 PolarHBondContact N-O 3.23Å; S143-V196 CarbonylContact O-C 3.42Å; S143-V196 VanDerWaalsContact O-CA 3.24Å; S143-V196 WeakPolarHBondContact O-CA 3.38Å; R186-V196 HydrophobicContact CB-CG2 3.82Å; V196-I198 HydrophobicContact CG1-CD1 3.98Å; V196-I198 HydrophobicContact CG1-CG1 3.91Å
197L98Very high94.4Very high3 Ų334.6 Ų34.62%0.01617%0.174CC..EExtended strand (participates in β ladder)trans-90.3124.2176.8-172.2155.9000110.5L122 V124 A135 C136 P142 S143 F199L122-L197 HydrophobicContact CB-CB 4.28Å; L122-L197 HydrophobicContact CB-CG 4.27Å; L122-L197 HydrophobicContact CD1-CD1 4.45Å; L122-L197 WeakPolarHBondContact O-CA 3.46Å; V124-L197 HydrophobicContact CG2-CD1 3.85Å; V124-L197 HydrophobicContact CG2-CD2 3.73Å; V124-L197 HydrophobicContact CG2-CG 3.54Å; A135-L197 HydrophobicContact CB-CD1 4.14Å; C136-L197 HydrophobicContact CB-CD1 4.37Å; P142-L197 HydrophobicContact CB-CB 3.98Å; P142-L197 HydrophobicContact CG-CB 3.53Å; P142-L197 HydrophobicContact CG-CD1 3.69Å; P142-L197 HydrophobicContact CG-CG 4.27Å; S143-L197 PolarHBondContact O-N 2.94Å; L197-F199 HydrophobicContact CD2-CD2 3.97Å; L197-F199 HydrophobicContact CD2-CE2 3.54Å; L197-F199 HydrophobicContact CD2-CZ 4.21Å
198I97.5Very high94.2Very high18 Ų1835.7 Ų35.79%0.09218%0.181CC..EExtended strand (participates in β ladder)trans-133.3135.3-177.5-54.6178.3000108.9I121 L122 V124 V145 I183 V196 P200 A217I121-I198 HydrophobicContact CG2-CD1 4.33Å; L122-I198 PolarHBondContact O-N 2.82Å; V124-I198 PolarHBondContact N-O 2.86Å; V145-I198 HydrophobicContact CG2-CD1 4.2Å; V145-I198 HydrophobicContact CG2-CG1 3.88Å; I183-I198 HydrophobicContact CD1-CD1 3.98Å; I183-I198 HydrophobicContact CG1-CD1 4.42Å; I183-I198 HydrophobicContact CG2-CD1 4.25Å; V196-I198 HydrophobicContact CG1-CD1 3.98Å; V196-I198 HydrophobicContact CG1-CG1 3.91Å; I198-P200 WeakPolarHBondContact O-CD 3.29Å; I198-A217 HydrophobicContact CB-CB 4.12Å; I198-A217 HydrophobicContact CD1-CB 3.67Å; I198-A217 HydrophobicContact CG1-CB 4.44Å; I198-A217 HydrophobicContact CG2-CB 4.07Å
199F97.1Very high94.1Very high38 Ų3830.5 Ų30.517%0.16716%0.158CC..  trans-92.497.8165.2-69.6-88.3000108.5V124 H127 D132 A135 L197 E201 G202 L229V124-F199 HydrophobicContact CB-CD1 3.77Å; V124-F199 HydrophobicContact CB-CE1 3.58Å; V124-F199 HydrophobicContact CB-CG 4.39Å; V124-F199 HydrophobicContact CB-CZ 4.02Å; V124-F199 HydrophobicContact CG1-CD1 3.99Å; V124-F199 HydrophobicContact CG1-CE1 3.36Å; V124-F199 HydrophobicContact CG1-CZ 3.86Å; V124-F199 VanDerWaalsContact O-CD1 3.24Å; V124-F199 WeakPolarHBondContact O-CD1 3.36Å; H127-F199 HydrophobicContact CB-CB 4.08Å; H127-F199 HydrophobicContact CB-CD1 3.59Å; H127-F199 HydrophobicContact CB-CE1 4.39Å; H127-F199 HydrophobicContact CB-CG 4.13Å; H127-F199 AromaticContact CG-CD1 3.61Å; H127-F199 AromaticContact CG-CG 3.86Å; H127-F199 AromaticContact ND1-CD1 3.63Å; H127-F199 AromaticContact ND1-CE1 3.8Å; H127-F199 AromaticContact ND1-CG 3.99Å; D132-F199 HydrophobicContact CB-CE1 3.72Å; D132-F199 HydrophobicContact CB-CZ 3.63Å; A135-F199 HydrophobicContact CB-CZ 4.49Å; L197-F199 HydrophobicContact CD2-CD2 3.97Å; L197-F199 HydrophobicContact CD2-CE2 3.54Å; L197-F199 HydrophobicContact CD2-CZ 4.21Å; F199-E201 PolarHBondContact O-N 3.43Å; F199-G202 PolarHBondContact O-N 2.82Å; F199-L229 HydrophobicContact CE1-CD1 3.96Å; F199-L229 HydrophobicContact CZ-CD1 4.47Å
200P96.4Very high94.2Very high1 Ų129.3 Ų29.31%0.00615%0.15CC..THydrogen-bonded Turntrans-67.5-21.8-170.928.3-36.1000113.2V124 I198 G202 F213 K214 F218V124-P200 WeakPolarHBondContact O-CD 3.29Å; I198-P200 WeakPolarHBondContact O-CD 3.29Å; P200-G202 PolarHBondContact O-N 3.1Å; P200-F213 HydrophobicContact CB-CB 3.85Å; P200-F213 HydrophobicContact CB-CD1 4.06Å; P200-F213 HydrophobicContact CB-CD2 3.76Å; P200-F213 HydrophobicContact CB-CE2 4.3Å; P200-F213 HydrophobicContact CB-CG 3.61Å; P200-F213 HydrophobicContact CG-CB 4.45Å; P200-F213 HydrophobicContact CG-CD1 3.86Å; P200-F213 HydrophobicContact CG-CD2 3.48Å; P200-F213 VanDerWaalsContact CG-CD2 3.48Å; P200-F213 HydrophobicContact CG-CE1 3.89Å; P200-F213 HydrophobicContact CG-CE2 3.5Å; P200-F213 VanDerWaalsContact CG-CE2 3.5Å; P200-F213 HydrophobicContact CG-CG 3.66Å; P200-F213 HydrophobicContact CG-CZ 3.71Å; P200-K214 WeakPolarHBondContact O-CB 3.34Å; P200-K214 WeakPolarHBondContact O-CG 3.39Å; P200-K214 PolarHBondContact O-N 2.98Å; P200-F218 HydrophobicContact CB-CE2 3.85Å; P200-F218 HydrophobicContact CB-CZ 4.19Å
201E94.2Very high94.2Very high0 Ų020.9 Ų20.90%011%0.111CC..THydrogen-bonded Turntrans-55.8-36.3169.7-65.9-171.2163.600111.7H127 F199 T203 T205 L210 I211 F213H127-E201 HydrophobicContact CB-CB 4.38Å; H127-E201 WeakPolarHBondContact CB-OE2 3.25Å; H127-E201 PolarHBondContact N-OE2 2.86Å; F199-E201 PolarHBondContact O-N 3.43Å; E201-T203 PolarHBondContact O-N 3.16Å; E201-T203 VanDerWaalsContact O-N 3.15Å; E201-T205 PolarHBondContact OE2-OG1 2.81Å; E201-L210 WeakPolarHBondContact OE1-CD2 3.48Å; E201-I211 HydrophobicContact CB-CD1 3.99Å; E201-I211 HydrophobicContact CB-CG1 3.85Å; E201-I211 HydrophobicContact CG-CD1 4.48Å; E201-I211 HydrophobicContact CG-CG1 3.8Å; E201-F213 HydrophobicContact CG-CD1 4.12Å; E201-F213 HydrophobicContact CG-CE1 3.77Å
202G89.7Confident94.3Very high33 Ų3321.6 Ų21.634%0.3411%0.112SC..  trans66.411.5177.500000115F199 P200 K214F199-G202 PolarHBondContact O-N 2.82Å; P200-G202 PolarHBondContact O-N 3.1Å; G202-K214 PolarHBondContact O-NZ 2.81Å
203T90.4Very high94.4Very high13 Ų1314.3 Ų14.38%0.088%0.084CC..SBendtrans-158.3168.2169.3-1620000109.8F24 H127 E201 I211 W242F24-T203 HydrophobicContact CE1-CG2 3.91Å; H127-T203 PolarHBondContact CD2-O 3.09Å; E201-T203 PolarHBondContact O-N 3.16Å; E201-T203 VanDerWaalsContact O-N 3.15Å; T203-I211 HydrophobicContact CG2-CD1 3.69Å; T203-W242 PolarHBondContact OG1-NE1 3.25Å
204C93.4Very high94.3Very high10 Ų1018 Ų187%0.06810%0.101CC..  trans-89.6138179.7-580000111.9H127 W240H127-C204 PolarHBondContact NE2-SG 3.03Å; H127-C204 VanDerWaalsContact NE2-SG 3.39Å; H127-C204 CarbonylContact O-C 3.6Å; H127-C204 VanDerWaalsContact O-CA 3.23Å; H127-C204 WeakPolarHBondContact O-CA 3.46Å; C204-W240 WeakPolarHBondContact CB-O 3.49Å
205T93.9Very high94.2Very high0 Ų020.4 Ų20.40%011%0.109CC..  trans-124.2169.3180670000111.2P23 F24 H127 S128 E201 R207 I211P23-T205 HydrophobicContact CB-CG2 4.32Å; P23-T205 CarbonylContact O-C 3.58Å; P23-T205 VanDerWaalsContact O-CA 3.22Å; P23-T205 WeakPolarHBondContact O-CA 3.4Å; F24-T205 HydrophobicContact CE1-CG2 4.13Å; H127-T205 PolarHBondContact O-N 2.77Å; H127-T205 PolarHBondContact O-OG1 3.31Å; S128-T205 WeakPolarHBondContact CA-O 3.37Å; S128-T205 WeakPolarHBondContact CB-O 3.4Å; E201-T205 PolarHBondContact OE2-OG1 2.81Å; T205-R207 VanDerWaalsContact C-N 3.27Å; T205-R207 PolarHBondContact O-N 3Å; T205-I211 HydrophobicContact CG2-CD1 3.91Å; T205-I211 HydrophobicContact CG2-CG1 4.05Å; T205-I211 HydrophobicContact CG2-CG2 3.89Å
206N92.7Very high93.8Very high13 Ų1321 Ų217%0.0712%0.118CC..  trans-83.74.8176.565.512.4000114.6N22 P23 V25 Q26 S208 T239 T241N22-N206 PolarHBondContact O-ND2 3.38Å; P23-N206 WeakPolarHBondContact CA-OD1 3.41Å; P23-N206 PolarHBondContact O-N 2.99Å; V25-N206 PolarHBondContact O-ND2 3.34Å; Q26-N206 HydrophobicContact CB-CB 4.48Å; Q26-N206 VanDerWaalsContact OE1-CB 3.31Å; N206-S208 PolarHBondContact O-N 2.95Å; N206-S208 WeakPolarHBondContact OD1-CB 3.07Å; N206-S208 PolarHBondContact OD1-N 3.49Å; N206-S208 PolarHBondContact OD1-OG 3.35Å; N206-T239 HydrophobicContact CB-CG2 4.09Å; N206-T241 HydrophobicContact CB-CG2 3.99Å
207R94Very high93.6Very high40 Ų4021.1 Ų21.115%0.15112%0.119CC..SBendtrans67.86.6-177.2-45.9-178.9-73.4-76.4-11.7115.8P126 S128 T205 C209 D236 T239P126-R207 HydrophobicContact CB-CB 4.24Å; P126-R207 HydrophobicContact CB-CG 3.93Å; P126-R207 HydrophobicContact CG-CB 4.04Å; P126-R207 HydrophobicContact CG-CG 4.05Å; S128-R207 WeakPolarHBondContact OG-CD 3.35Å; S128-R207 PolarHBondContact OG-NH1 2.7Å; T205-R207 VanDerWaalsContact C-N 3.27Å; T205-R207 PolarHBondContact O-N 3Å; R207-C209 PolarHBondContact O-N 3.49Å; R207-D236 IonicContact CZ-OD2 3.84Å; R207-D236 VanDerWaalsContact NH2-CG 3.27Å; R207-D236 IonicContact NH2-OD1 3.72Å; R207-D236 PolarHBondContact NH2-OD1 2.86Å; R207-D236 IonicContact NH2-OD2 2.85Å; R207-D236 PolarHBondContact NH2-OD2 2.8Å; R207-T239 PolarHBondContact NH1-OG1 3.37Å; R207-T239 PolarHBondContact NH2-OG1 2.83Å
208S92.3Very high93.5Very high30 Ų3021 Ų2121%0.2112%0.119CC..SBendtrans-68.7-22.9176.164.60000113I21 N206 P298I21-S208 PolarHBondContact O-OG 2.9Å; N206-S208 PolarHBondContact O-N 2.95Å; N206-S208 WeakPolarHBondContact OD1-CB 3.07Å; N206-S208 PolarHBondContact OD1-N 3.49Å; N206-S208 PolarHBondContact OD1-OG 3.35Å; S208-P298 WeakPolarHBondContact O-CD 3.34Å
209C93.3Very high93.5Very high0 Ų022.7 Ų22.70%013%0.127CC..SBendtrans-156167.1174.561.70000110.6V20 R207 P298 T300V20-C209 HydrophobicContact CG1-CB 3.5Å; V20-C209 VanDerWaalsContact CG1-SG 3.58Å; R207-C209 PolarHBondContact O-N 3.49Å; C209-P298 CarbonylContact C-O 3.59Å; C209-P298 WeakPolarHBondContact CA-O 3.36Å; C209-P298 HydrophobicContact CB-CG 3.97Å; C209-P298 WeakPolarHBondContact CB-O 3.41Å; C209-T300 VanDerWaalsContact SG-CG2 3.54Å
210L95.6Very high93.4Very high0 Ų021.3 Ų21.30%012%0.122CC..BIsolated β-bridgetrans-95.4124.9167.3-62.5-173.1000110.5A125 P126 E201 F213 R288 M291 A292 L295 V297 P298 V299 T300A125-L210 HydrophobicContact CB-CD2 4.07Å; P126-L210 HydrophobicContact CB-CD2 3.83Å; P126-L210 HydrophobicContact CG-CD2 3.79Å; E201-L210 WeakPolarHBondContact OE1-CD2 3.48Å; L210-F213 HydrophobicContact CB-CE1 4.45Å; L210-F213 HydrophobicContact CD1-CE1 4.34Å; L210-F213 HydrophobicContact CD1-CZ 4.05Å; L210-R288 HydrophobicContact CB-CG 3.88Å; L210-R288 HydrophobicContact CD1-CG 4.1Å; L210-M291 HydrophobicContact CD1-CB 3.79Å; L210-A292 HydrophobicContact CD1-CB 3.94Å; L210-A292 HydrophobicContact CG-CB 4.35Å; L210-L295 HydrophobicContact CD1-CD1 4.08Å; L210-L295 HydrophobicContact CD2-CD1 3.92Å; L210-L295 HydrophobicContact CG-CD1 4.2Å; L210-V297 HydrophobicContact CG-CG2 4.26Å; L210-P298 PolarHBondContact N-O 2.86Å; L210-V299 HydrophobicContact CB-CG1 4.41Å; L210-V299 WeakPolarHBondContact O-CA 3.2Å; L210-T300 PolarHBondContact O-N 3.4Å
211I93.3Very high93.4Very high0 Ų022 Ų220%013%0.13CC..  trans-79.1176.8174.866166.3000111.3P23 F24 E201 T203 T205 F213 R288 T300 H302P23-I211 HydrophobicContact CB-CG2 3.97Å; P23-I211 HydrophobicContact CG-CG2 3.76Å; F24-I211 HydrophobicContact CE1-CD1 4.13Å; F24-I211 HydrophobicContact CE1-CG2 4.3Å; F24-I211 HydrophobicContact CZ-CD1 4.28Å; F24-I211 HydrophobicContact CZ-CG2 4.02Å; E201-I211 HydrophobicContact CB-CD1 3.99Å; E201-I211 HydrophobicContact CB-CG1 3.85Å; E201-I211 HydrophobicContact CG-CD1 4.48Å; E201-I211 HydrophobicContact CG-CG1 3.8Å; T203-I211 HydrophobicContact CG2-CD1 3.69Å; T205-I211 HydrophobicContact CG2-CD1 3.91Å; T205-I211 HydrophobicContact CG2-CG1 4.05Å; T205-I211 HydrophobicContact CG2-CG2 3.89Å; I211-F213 WeakPolarHBondContact O-CD1 3.41Å; I211-F213 PolarHBondContact O-N 2.97Å; I211-R288 WeakPolarHBondContact O-CD 3.41Å; I211-T300 CarbonylContact C-O 3.48Å; I211-T300 WeakPolarHBondContact CA-O 3.47Å; I211-T300 HydrophobicContact CB-CG2 4.41Å; I211-T300 HydrophobicContact CG2-CG2 3.84Å; I211-H302 WeakPolarHBondContact CB-O 3.32Å; I211-H302 HydrophobicContact CG2-CB 4.27Å
212T92.1Very high93.6Very high34 Ų3423 Ų2321%0.20914%0.136CC..PPolyproline II helixtrans-59.2127.7179.1-56.30000112.1T300 D301 H302 T303T212-T300 PolarHBondContact N-O 3.21Å; T212-D301 VanDerWaalsContact OG1-C 3.27Å; T212-D301 WeakPolarHBondContact OG1-CA 3.44Å; T212-D301 PolarHBondContact OG1-O 3.49Å; T212-D301 VanDerWaalsContact OG1-O 3.06Å; T212-H302 WeakPolarHBondContact CB-O 3.32Å; T212-H302 PolarHBondContact N-O 3.34Å; T212-H302 PolarHBondContact OG1-O 3.49Å; T212-T303 HydrophobicContact CG2-CG2 4.3Å
213F95.9Very high94Very high7 Ų723.1 Ų23.13%0.03113%0.13CC..PPolyproline II helixtrans-76.7128.6174.2-79.811.3000111.4A125 P200 E201 L210 I211 F218 A284 V287 R288 M291A125-F213 HydrophobicContact CB-CE1 4.08Å; A125-F213 HydrophobicContact CB-CZ 3.65Å; P200-F213 HydrophobicContact CB-CB 3.85Å; P200-F213 HydrophobicContact CB-CD1 4.06Å; P200-F213 HydrophobicContact CB-CD2 3.76Å; P200-F213 HydrophobicContact CB-CE2 4.3Å; P200-F213 HydrophobicContact CB-CG 3.61Å; P200-F213 HydrophobicContact CG-CB 4.45Å; P200-F213 HydrophobicContact CG-CD1 3.86Å; P200-F213 HydrophobicContact CG-CD2 3.48Å; P200-F213 VanDerWaalsContact CG-CD2 3.48Å; P200-F213 HydrophobicContact CG-CE1 3.89Å; P200-F213 HydrophobicContact CG-CE2 3.5Å; P200-F213 VanDerWaalsContact CG-CE2 3.5Å; P200-F213 HydrophobicContact CG-CG 3.66Å; P200-F213 HydrophobicContact CG-CZ 3.71Å; E201-F213 HydrophobicContact CG-CD1 4.12Å; E201-F213 HydrophobicContact CG-CE1 3.77Å; L210-F213 HydrophobicContact CB-CE1 4.45Å; L210-F213 HydrophobicContact CD1-CE1 4.34Å; L210-F213 HydrophobicContact CD1-CZ 4.05Å; I211-F213 WeakPolarHBondContact O-CD1 3.41Å; I211-F213 PolarHBondContact O-N 2.97Å; F213-F218 HydrophobicContact CB-CE2 4.14Å; F213-F218 HydrophobicContact CD2-CE2 4.2Å; F213-F218 AromaticContact CD2-CZ 3.89Å; F213-F218 HydrophobicContact CD2-CZ 3.89Å; F213-A284 HydrophobicContact CB-CB 3.99Å; F213-V287 HydrophobicContact CE2-CG1 4.37Å; F213-R288 HydrophobicContact CD1-CB 4.19Å; F213-R288 HydrophobicContact CD1-CG 4.07Å; F213-R288 HydrophobicContact CD2-CB 3.67Å; F213-R288 HydrophobicContact CD2-CG 4.4Å; F213-R288 HydrophobicContact CE1-CB 4.28Å; F213-R288 HydrophobicContact CE1-CG 3.98Å; F213-R288 HydrophobicContact CE2-CB 3.77Å; F213-R288 HydrophobicContact CE2-CG 4.33Å; F213-R288 HydrophobicContact CG-CB 3.9Å; F213-R288 HydrophobicContact CG-CG 4.29Å; F213-R288 HydrophobicContact CZ-CB 4.08Å; F213-R288 HydrophobicContact CZ-CG 4.12Å; F213-M291 HydrophobicContact CE2-SD 3.57Å; F213-M291 VanDerWaalsContact CE2-SD 3.57Å; F213-M291 HydrophobicContact CZ-SD 3.76Å
214K91.8Very high94.3Very high91 Ų9122.5 Ų22.540%0.39613%0.126SC..PPolyproline II helixtrans-67.1140171.7-64-174.8-177.7179.60110.1P200 G202 G216 F218P200-K214 WeakPolarHBondContact O-CB 3.34Å; P200-K214 WeakPolarHBondContact O-CG 3.39Å; P200-K214 PolarHBondContact O-N 2.98Å; G202-K214 PolarHBondContact O-NZ 2.81Å; K214-G216 PolarHBondContact O-N 2.76Å; K214-F218 WeakPolarHBondContact O-CD2 3.13Å; K214-F218 WeakPolarHBondContact O-CE2 3.34Å
215Q91.7Very high94.6Very high87 Ų8722 Ų2241%0.40712%0.123SC..G310 helixtrans-70.6-14-173.5-61.3173.521.900114.2A217 F218 I219 P280Q215-A217 VanDerWaalsContact C-N 3.26Å; Q215-A217 PolarHBondContact O-N 3.15Å; Q215-A217 VanDerWaalsContact O-N 3.13Å; Q215-F218 CarbonylContact O-C 3.43Å; Q215-F218 WeakPolarHBondContact O-CA 3.43Å; Q215-F218 PolarHBondContact O-N 3.3Å; Q215-I219 HydrophobicContact CB-CG1 4.35Å; Q215-I219 WeakPolarHBondContact O-CG1 3.39Å; Q215-I219 PolarHBondContact O-N 3.34Å; Q215-P280 HydrophobicContact CB-CB 4.18Å; Q215-P280 HydrophobicContact CG-CB 4.46Å
216G90.1Very high94.8Very high24 Ų2422.1 Ų22.125%0.24712%0.124CC..G310 helixtrans-53.4-38.4-171.400000114.6K214 F218K214-G216 PolarHBondContact O-N 2.76Å; G216-F218 VanDerWaalsContact C-N 3.27Å; G216-F218 PolarHBondContact O-N 3.31Å
217A91.9Very high95.1Very high2 Ų221.5 Ų21.52%0.01712%0.121CC..G310 helixtrans-73.5-16.5176.900000114I121 I198 Q215I121-A217 WeakPolarHBondContact CD1-O 3.34Å; I121-A217 HydrophobicContact CG2-CB 4.17Å; I198-A217 HydrophobicContact CB-CB 4.12Å; I198-A217 HydrophobicContact CD1-CB 3.67Å; I198-A217 HydrophobicContact CG1-CB 4.44Å; I198-A217 HydrophobicContact CG2-CB 4.07Å; Q215-A217 VanDerWaalsContact C-N 3.26Å; Q215-A217 PolarHBondContact O-N 3.15Å; Q215-A217 VanDerWaalsContact O-N 3.13Å
218F97.1Very high95.3Very high1 Ų119.6 Ų19.60%0.00411%0.114CC..THydrogen-bonded Turntrans-112.1-17.1-167.9-54.3-76.9000112.6P200 F213 K214 Q215 G216 P220 G221 V224 P280 F283 A284 V287P200-F218 HydrophobicContact CB-CE2 3.85Å; P200-F218 HydrophobicContact CB-CZ 4.19Å; F213-F218 HydrophobicContact CB-CE2 4.14Å; F213-F218 HydrophobicContact CD2-CE2 4.2Å; F213-F218 AromaticContact CD2-CZ 3.89Å; F213-F218 HydrophobicContact CD2-CZ 3.89Å; K214-F218 WeakPolarHBondContact O-CD2 3.13Å; K214-F218 WeakPolarHBondContact O-CE2 3.34Å; Q215-F218 CarbonylContact O-C 3.43Å; Q215-F218 WeakPolarHBondContact O-CA 3.43Å; Q215-F218 PolarHBondContact O-N 3.3Å; G216-F218 VanDerWaalsContact C-N 3.27Å; G216-F218 PolarHBondContact O-N 3.31Å; F218-P220 VanDerWaalsContact C-CD 3.42Å; F218-P220 VanDerWaalsContact C-N 3.33Å; F218-G221 PolarHBondContact O-N 3.42Å; F218-V224 HydrophobicContact CD1-CG1 4.28Å; F218-V224 HydrophobicContact CE1-CG1 4.35Å; F218-V224 HydrophobicContact CE1-CG2 4.24Å; F218-P280 HydrophobicContact CB-CB 4.44Å; F218-F283 HydrophobicContact CB-CB 4.2Å; F218-F283 HydrophobicContact CB-CD1 3.6Å; F218-F283 HydrophobicContact CB-CE1 4.19Å; F218-F283 HydrophobicContact CB-CG 4.07Å; F218-F283 AromaticContact CD1-CD1 3.79Å; F218-F283 HydrophobicContact CD1-CD1 3.79Å; F218-F283 HydrophobicContact CD1-CD2 4.06Å; F218-F283 AromaticContact CD1-CE1 3.86Å; F218-F283 HydrophobicContact CD1-CE1 3.86Å; F218-F283 HydrophobicContact CD1-CE2 4.1Å; F218-F283 AromaticContact CD1-CG 3.88Å; F218-F283 HydrophobicContact CD1-CG 3.88Å; F218-F283 HydrophobicContact CD1-CZ 4.02Å; F218-F283 HydrophobicContact CG-CD1 4.17Å; F218-F283 HydrophobicContact CG-CG 4.35Å; F218-A284 HydrophobicContact CD2-CB 3.38Å; F218-A284 HydrophobicContact CE2-CB 3.61Å; F218-A284 HydrophobicContact CG-CB 3.9Å; F218-A284 HydrophobicContact CZ-CB 4.29Å; F218-V287 HydrophobicContact CD1-CG2 4.45Å; F218-V287 HydrophobicContact CE1-CB 3.85Å; F218-V287 HydrophobicContact CE1-CG1 3.96Å; F218-V287 HydrophobicContact CE1-CG2 3.87Å; F218-V287 HydrophobicContact CZ-CB 4.29Å; F218-V287 HydrophobicContact CZ-CG1 4.22Å
219I95.9Very high95.6Very high52 Ų5218.2 Ų18.227%0.26710%0.104SC..THydrogen-bonded Turntrans-52.5-41.7175.6-71.6164.6000113.1I180 Q215 G221 P280I180-I219 HydrophobicContact CD1-CD1 3.72Å; I180-I219 HydrophobicContact CG1-CD1 3.85Å; I180-I219 HydrophobicContact CG2-CD1 4.06Å; I180-I219 HydrophobicContact CG2-CG2 3.83Å; Q215-I219 HydrophobicContact CB-CG1 4.35Å; Q215-I219 WeakPolarHBondContact O-CG1 3.39Å; Q215-I219 PolarHBondContact O-N 3.34Å; I219-G221 PolarHBondContact O-N 2.64Å; I219-G221 VanDerWaalsContact O-N 3.07Å; I219-P280 HydrophobicContact CG1-CB 4.13Å; I219-P280 HydrophobicContact CG1-CG 4.22Å
220P95.9Very high95.8Very high9 Ų920.9 Ų20.96%0.05811%0.114CC..THydrogen-bonded Turntrans-64.5-15.3-177.1-23.634.9000114.8I121 I183 E184 A187 K188 F218 V222I121-P220 HydrophobicContact CD1-CG 4.22Å; I183-P220 HydrophobicContact CG2-CG 3.98Å; E184-P220 HydrophobicContact CB-CG 4.35Å; E184-P220 HydrophobicContact CG-CB 4.49Å; A187-P220 HydrophobicContact CB-CB 4.24Å; A187-P220 HydrophobicContact CB-CG 4.29Å; K188-P220 WeakPolarHBondContact CE-O 3.36Å; F218-P220 VanDerWaalsContact C-CD 3.42Å; F218-P220 VanDerWaalsContact C-N 3.33Å; P220-V222 VanDerWaalsContact C-N 3.25Å; P220-V222 HydrophobicContact CB-CG1 4.28Å; P220-V222 HydrophobicContact CB-CG2 4.08Å; P220-V222 PolarHBondContact O-N 3.14Å
221G96.6Very high95.9Very high17 Ų1721.8 Ų21.818%0.17512%0.117CC..  trans67.922.2179.200000114.5F218 I219 P272F218-G221 PolarHBondContact O-N 3.42Å; I219-G221 PolarHBondContact O-N 2.64Å; I219-G221 VanDerWaalsContact O-N 3.07Å; G221-P272 WeakPolarHBondContact O-CG 3.19Å
222V97.3Very high96Very high21 Ų2125.3 Ų25.313%0.12714%0.14CC..  trans-101.1163.4179.8-59.10000111.1P120 I121 A187 K188 P220P120-V222 HydrophobicContact CG-CB 3.92Å; P120-V222 HydrophobicContact CG-CG2 3.47Å; P120-V222 VanDerWaalsContact CG-CG2 3.47Å; I121-V222 HydrophobicContact CD1-CG2 3.99Å; I121-V222 HydrophobicContact CG1-CG2 4.42Å; A187-V222 HydrophobicContact CB-CG2 4.07Å; K188-V222 HydrophobicContact CG-CG1 4.07Å; P220-V222 VanDerWaalsContact C-N 3.25Å; P220-V222 HydrophobicContact CB-CG1 4.28Å; P220-V222 HydrophobicContact CB-CG2 4.08Å; P220-V222 PolarHBondContact O-N 3.14Å
223P98.2Very high96Very high34 Ų3425.5 Ų25.522%0.22114%0.14CC..  trans-57.7141.6174.6-23.234.1000112.6E118 A119 P120 Y270 V271E118-P223 VanDerWaalsContact O-CB 3.3Å; E118-P223 WeakPolarHBondContact O-CB 3.33Å; A119-P223 HydrophobicContact CB-CB 4.42Å; P120-P223 WeakPolarHBondContact CD-O 3.41Å; P223-Y270 WeakPolarHBondContact CA-O 3.23Å; P223-V271 HydrophobicContact CB-CG2 4.3Å; P223-V271 HydrophobicContact CG-CG1 4.47Å; P223-V271 HydrophobicContact CG-CG2 4.26Å
224V98.4Very high95.6Very high0 Ų036 Ų360%019%0.186CC..EExtended strand (participates in β ladder)trans-118.9142.3174.3-56.50000108.5I121 F218 P226 Y270 F283 V287I121-V224 HydrophobicContact CB-CG1 4.06Å; I121-V224 HydrophobicContact CG2-CG1 4.14Å; I121-V224 CarbonylContact O-C 3.54Å; I121-V224 WeakPolarHBondContact O-CA 3.42Å; F218-V224 HydrophobicContact CD1-CG1 4.28Å; F218-V224 HydrophobicContact CE1-CG1 4.35Å; F218-V224 HydrophobicContact CE1-CG2 4.24Å; V224-P226 WeakPolarHBondContact O-CD 3.41Å; V224-Y270 PolarHBondContact N-O 2.57Å; V224-Y270 PolarHBondContact O-N 3.34Å; V224-F283 HydrophobicContact CB-CZ 4.43Å; V224-F283 HydrophobicContact CG1-CE1 4.22Å; V224-F283 HydrophobicContact CG1-CZ 3.8Å; V224-F283 HydrophobicContact CG2-CE2 4.05Å; V224-F283 HydrophobicContact CG2-CZ 3.84Å; V224-V287 HydrophobicContact CG2-CG1 4.29Å; V224-V287 HydrophobicContact CG2-CG2 3.9Å
225Q98.7Very high95.4Very high1 Ų133 Ų331%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-100.8113.3169.4175.6169.74400108.7K112 V114 A119 I121 L122 A123 M267K112-Q225 PolarHBondContact O-NE2 3.25Å; V114-Q225 HydrophobicContact CG2-CB 4.26Å; A119-Q225 HydrophobicContact CB-CB 3.76Å; I121-Q225 PolarHBondContact O-N 3.25Å; L122-Q225 WeakPolarHBondContact CA-O 3.35Å; L122-Q225 HydrophobicContact CD2-CB 3.97Å; L122-Q225 HydrophobicContact CD2-CG 4.17Å; A123-Q225 PolarHBondContact N-O 3.38Å; Q225-M267 WeakPolarHBondContact CG-O 3.4Å; Q225-M267 PolarHBondContact NE2-O 2.81Å
226P98.8Very high95.4Very high2 Ų230.2 Ų30.21%0.01316%0.161CC..EExtended strand (participates in β ladder)trans-68.1137.4174.2-16.330.5000111A123 V224 M267 P268 V287 M291A123-P226 CarbonylContact O-C 3.6Å; A123-P226 WeakPolarHBondContact O-CA 3.39Å; V224-P226 WeakPolarHBondContact O-CD 3.41Å; P226-M267 HydrophobicContact CB-CB 4.04Å; P226-M267 HydrophobicContact CB-CG 4.25Å; P226-M267 HydrophobicContact CB-SD 3.8Å; P226-M267 HydrophobicContact CG-CB 4.35Å; P226-M267 HydrophobicContact CG-SD 4.49Å; P226-M267 WeakPolarHBondContact O-CB 3.45Å; P226-M267 PolarHBondContact O-N 3.43Å; P226-P268 WeakPolarHBondContact CD-O 3.38Å; P226-V287 HydrophobicContact CG-CG1 4.28Å; P226-M291 HydrophobicContact CB-CE 4.09Å; P226-M291 HydrophobicContact CB-CG 3.68Å; P226-M291 HydrophobicContact CB-SD 3.88Å; P226-M291 HydrophobicContact CG-CG 4.49Å
227V98.8Very high95.4Very high0 Ų029.2 Ų29.20%015%0.151CC..EExtended strand (participates in β ladder)trans-125.7121.4177-1740000108.9L122 A123 V124 A125 V264 E265 F266 M291L122-V227 HydrophobicContact CB-CG2 4.28Å; L122-V227 HydrophobicContact CD2-CG2 3.85Å; A123-V227 PolarHBondContact O-N 2.96Å; V124-V227 WeakPolarHBondContact CA-O 3.32Å; V124-V227 HydrophobicContact CB-CB 4.45Å; V124-V227 HydrophobicContact CG1-CB 4.34Å; V124-V227 HydrophobicContact CG1-CG1 4.42Å; V124-V227 HydrophobicContact CG2-CB 4.07Å; V124-V227 HydrophobicContact CG2-CG2 4.45Å; A125-V227 PolarHBondContact N-O 3.13Å; V227-V264 HydrophobicContact CG1-CG1 3.64Å; V227-E265 CarbonylContact C-O 3.2Å; V227-E265 VanDerWaalsContact CA-O 3.3Å; V227-E265 WeakPolarHBondContact CA-O 3.28Å; V227-F266 HydrophobicContact CG1-CD1 4.37Å; V227-F266 HydrophobicContact CG1-CE1 4.35Å; V227-F266 HydrophobicContact CG2-CD1 3.71Å; V227-F266 HydrophobicContact CG2-CE1 3.9Å; V227-M291 WeakPolarHBondContact O-CE 3.47Å
228L98.8Very high95.5Very high0 Ų029.2 Ų29.20%015%0.15CC..EExtended strand (participates in β ladder)trans-96.3131.4-178.4-52.8-178.3000110.9A125 E265 M267 M291 A294 L295A125-L228 VanDerWaalsContact O-CA 3.27Å; A125-L228 WeakPolarHBondContact O-CA 3.34Å; L228-E265 HydrophobicContact CB-CB 4.21Å; L228-E265 PolarHBondContact N-O 3.07Å; L228-E265 PolarHBondContact O-N 3.41Å; L228-M267 HydrophobicContact CD1-CG 4.06Å; L228-M267 HydrophobicContact CD1-SD 3.64Å; L228-M267 HydrophobicContact CD2-SD 3.78Å; L228-M267 HydrophobicContact CG-CG 3.97Å; L228-M267 HydrophobicContact CG-SD 3.66Å; L228-M291 HydrophobicContact CD2-CB 3.77Å; L228-M291 HydrophobicContact CD2-CE 3.62Å; L228-M291 HydrophobicContact CD2-CG 3.86Å; L228-A294 HydrophobicContact CD1-CB 3.64Å; L228-L295 HydrophobicContact CB-CD2 4.08Å; L228-L295 HydrophobicContact CD1-CD2 4.24Å; L228-L295 HydrophobicContact CD1-CG 4.14Å; L228-L295 HydrophobicContact CD2-CD1 4.1Å; L228-L295 HydrophobicContact CD2-CD2 4.35Å; L228-L295 HydrophobicContact CD2-CG 3.98Å; L228-L295 HydrophobicContact CG-CD2 4.46Å; L228-L295 HydrophobicContact CG-CG 4.47Å
229L98.4Very high95.4Very high1 Ų129.5 Ų29.51%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-103.5130.1170.7-63.5-176.2000110.8V124 A125 P126 D132 A135 F199 E263 V264V124-L229 HydrophobicContact CG1-CD1 3.69Å; V124-L229 HydrophobicContact CG1-CD2 4.27Å; V124-L229 HydrophobicContact CG1-CG 3.68Å; A125-L229 PolarHBondContact O-N 2.71Å; P126-L229 VanDerWaalsContact CD-O 3.29Å; P126-L229 WeakPolarHBondContact CD-O 3.16Å; D132-L229 HydrophobicContact CB-CD1 3.59Å; A135-L229 HydrophobicContact CB-CD2 4.24Å; F199-L229 HydrophobicContact CE1-CD1 3.96Å; F199-L229 HydrophobicContact CZ-CD1 4.47Å; L229-E263 WeakPolarHBondContact CA-O 3.39Å; L229-V264 HydrophobicContact CD2-CB 4.27Å; L229-V264 HydrophobicContact CD2-CG1 4.16Å; L229-V264 HydrophobicContact CD2-CG2 3.77Å
230R97.6Very high95.2Very high55 Ų5532 Ų3221%0.20816%0.158CC..EExtended strand (participates in β ladder)trans-129.3144.3170.5-58.3-176.1-172.477.1-6.7110.8P232 V262 E263 E265 A294 L295R230-P232 VanDerWaalsContact C-CD 3.5Å; R230-P232 WeakPolarHBondContact O-CD 3.37Å; R230-V262 CarbonylContact O-C 3.6Å; R230-V262 WeakPolarHBondContact O-CA 3.16Å; R230-E263 HydrophobicContact CB-CB 4.16Å; R230-E263 HydrophobicContact CB-CG 4.46Å; R230-E263 PolarHBondContact N-O 3.43Å; R230-E263 PolarHBondContact O-N 2.79Å; R230-E265 IonicContact CZ-OE2 2.82Å; R230-E265 IonicContact NH1-OE2 2.87Å; R230-E265 PolarHBondContact NH1-OE2 3.19Å; R230-E265 IonicContact NH2-OE2 2.71Å; R230-E265 PolarHBondContact NH2-OE2 2.99Å; R230-A294 PolarHBondContact NH2-O 3.21Å; R230-L295 HydrophobicContact CG-CD2 4.09Å
231Y96.4Very high94.9Very high19 Ų1931.9 Ų31.98%0.07516%0.157CC..  trans-119.978.5173.5-68.8-82000108.7F105 D132 N233 V238 V262F105-Y231 HydrophobicContact CE1-CE1 4.08Å; D132-Y231 WeakPolarHBondContact OD1-CE2 3.4Å; D132-Y231 PolarHBondContact OD1-OH 3.18Å; Y231-N233 PolarHBondContact O-N 3.18Å; Y231-V238 HydrophobicContact CD1-CB 4.37Å; Y231-V238 HydrophobicContact CD1-CG1 4.18Å; Y231-V238 HydrophobicContact CD1-CG2 3.74Å; Y231-V238 HydrophobicContact CD2-CG2 3.94Å; Y231-V238 HydrophobicContact CE1-CB 4.38Å; Y231-V238 HydrophobicContact CE1-CG1 4.24Å; Y231-V238 HydrophobicContact CE1-CG2 4.12Å; Y231-V238 HydrophobicContact CE2-CG2 4.32Å; Y231-V238 HydrophobicContact CG-CG2 3.62Å; Y231-V262 HydrophobicContact CD1-CB 3.91Å; Y231-V262 HydrophobicContact CD1-CG2 3.98Å; Y231-V262 HydrophobicContact CE1-CB 3.63Å; Y231-V262 HydrophobicContact CE1-CG2 3.48Å; Y231-V262 VanDerWaalsContact CE1-CG2 3.48Å; Y231-V262 HydrophobicContact CE2-CG2 4.47Å
232P95.3Very high94.2Very high75 Ų7535.9 Ų35.949%0.48717%0.167SC..  trans-76.355.7-175.334.8-38.4000111.3R230 T261 E263R230-P232 VanDerWaalsContact C-CD 3.5Å; R230-P232 WeakPolarHBondContact O-CD 3.37Å; P232-T261 HydrophobicContact CG-CG2 4.04Å; P232-E263 HydrophobicContact CG-CG 3.87Å
233N92.8Very high93.3Very high37 Ų3738.2 Ų38.220%0.19818%0.177CC..  trans-103.5135.9-177.6-58.9-67.2000109.2Y231 M235 T261Y231-N233 PolarHBondContact O-N 3.18Å; N233-M235 WeakPolarHBondContact CB-O 3.29Å; N233-M235 PolarHBondContact O-N 3.41Å; N233-T261 PolarHBondContact ND2-O 2.96Å; N233-T261 PolarHBondContact OD1-N 3.45Å
234K87.4Confident92.5Very high227 Ų22738.3 Ų38.399%0.98718%0.184SC*.SBendtrans-57-36.6177.4-177.9175.7-179.5174.10112.2
235M88.3Confident91.9Very high30 Ų3040.9 Ų40.915%0.14819%0.193CC..SBendtrans-112.7126.8174-174.5-178-168.900108.5I30 T34 N233 T237I30-M235 HydrophobicContact CB-CE 4.28Å; I30-M235 HydrophobicContact CD1-CE 3.31Å; I30-M235 HydrophobicContact CG1-CE 3.52Å; I30-M235 HydrophobicContact CG2-CE 3.74Å; T34-M235 HydrophobicContact CG2-CE 3.62Å; T34-M235 HydrophobicContact CG2-SD 3.53Å; T34-M235 VanDerWaalsContact CG2-SD 3.53Å; N233-M235 WeakPolarHBondContact CB-O 3.29Å; N233-M235 PolarHBondContact O-N 3.41Å; M235-T237 HydrophobicContact CE-CG2 4.29Å; M235-T237 HydrophobicContact CG-CG2 3.86Å; M235-T237 PolarHBondContact O-N 2.97Å; M235-T237 HydrophobicContact SD-CG2 3.84Å
236D90.2Very high91.4Very high27 Ų2744.6 Ų44.614%0.14422%0.216CC..  trans-82.5106172.8-175.1-0000110.3Q26 T28 R207 V238 T239Q26-D236 PolarHBondContact NE2-OD2 3.49Å; T28-D236 HydrophobicContact CG2-CB 4.06Å; R207-D236 IonicContact CZ-OD2 3.84Å; R207-D236 VanDerWaalsContact NH2-CG 3.27Å; R207-D236 IonicContact NH2-OD1 3.72Å; R207-D236 PolarHBondContact NH2-OD1 2.86Å; R207-D236 IonicContact NH2-OD2 2.85Å; R207-D236 PolarHBondContact NH2-OD2 2.8Å; D236-V238 WeakPolarHBondContact OD1-CG2 3.06Å; D236-V238 PolarHBondContact OD1-N 3.23Å; D236-V238 VanDerWaalsContact OD1-N 3.12Å; D236-T239 PolarHBondContact OD1-N 3.16Å; D236-T239 VanDerWaalsContact OD1-N 3.08Å; D236-T239 PolarHBondContact OD1-OG1 2.79Å; D236-T239 VanDerWaalsContact OD2-CB 3.3Å; D236-T239 WeakPolarHBondContact OD2-CB 3.48Å; D236-T239 PolarHBondContact OD2-OG1 3.2Å
237T91.3Very high91Very high4 Ų446.4 Ų46.43%0.02523%0.231CC..  trans-110.9-1.8175.361.10000113.2M235 V250 L253 T254 Q257M235-T237 HydrophobicContact CE-CG2 4.29Å; M235-T237 HydrophobicContact CG-CG2 3.86Å; M235-T237 PolarHBondContact O-N 2.97Å; M235-T237 HydrophobicContact SD-CG2 3.84Å; T237-V250 WeakPolarHBondContact O-CG1 3.22Å; T237-V250 VanDerWaalsContact O-O 3.11Å; T237-L253 HydrophobicContact CG2-CB 4.01Å; T237-T254 PolarHBondContact O-OG1 2.96Å; T237-T254 WeakPolarHBondContact OG1-CA 3.33Å; T237-T254 PolarHBondContact OG1-OG1 3.41Å; T237-Q257 HydrophobicContact CG2-CG 3.79Å
238V93.7Very high90.6Very high1 Ų152.2 Ų52.21%0.00626%0.261CS..  trans-103.2-29.7-169.6-64.60000112.8F105 A129 F131 Y231 D236 W240 V250 T254 T260F105-V238 HydrophobicContact CE1-CG1 4.33Å; F105-V238 HydrophobicContact CZ-CG1 4.18Å; A129-V238 HydrophobicContact CB-CB 4.41Å; A129-V238 WeakPolarHBondContact CB-O 3.35Å; F131-V238 HydrophobicContact CD2-CB 3.93Å; F131-V238 HydrophobicContact CD2-CG1 3.94Å; F131-V238 HydrophobicContact CE2-CB 4.37Å; F131-V238 HydrophobicContact CE2-CG1 4.25Å; Y231-V238 HydrophobicContact CD1-CB 4.37Å; Y231-V238 HydrophobicContact CD1-CG1 4.18Å; Y231-V238 HydrophobicContact CD1-CG2 3.74Å; Y231-V238 HydrophobicContact CD2-CG2 3.94Å; Y231-V238 HydrophobicContact CE1-CB 4.38Å; Y231-V238 HydrophobicContact CE1-CG1 4.24Å; Y231-V238 HydrophobicContact CE1-CG2 4.12Å; Y231-V238 HydrophobicContact CE2-CG2 4.32Å; Y231-V238 HydrophobicContact CG-CG2 3.62Å; D236-V238 WeakPolarHBondContact OD1-CG2 3.06Å; D236-V238 PolarHBondContact OD1-N 3.23Å; D236-V238 VanDerWaalsContact OD1-N 3.12Å; V238-W240 PolarHBondContact O-N 3.31Å; V238-V250 VanDerWaalsContact O-CG1 3.32Å; V238-V250 WeakPolarHBondContact O-CG1 3.23Å; V238-T254 HydrophobicContact CG1-CG2 4.36Å; V238-T260 HydrophobicContact CG1-CG2 3.64Å
239T94Very high90.3Very high8 Ų859.8 Ų59.85%0.04929%0.29CS..  trans-60.7124.2-176-62.80000111.7Q26 S128 N206 R207 D236 T241Q26-T239 HydrophobicContact CB-CG2 3.82Å; Q26-T239 HydrophobicContact CG-CG2 3.61Å; S128-T239 WeakPolarHBondContact O-CA 3.46Å; N206-T239 HydrophobicContact CB-CG2 4.09Å; R207-T239 PolarHBondContact NH1-OG1 3.37Å; R207-T239 PolarHBondContact NH2-OG1 2.83Å; D236-T239 PolarHBondContact OD1-N 3.16Å; D236-T239 VanDerWaalsContact OD1-N 3.08Å; D236-T239 PolarHBondContact OD1-OG1 2.79Å; D236-T239 VanDerWaalsContact OD2-CB 3.3Å; D236-T239 WeakPolarHBondContact OD2-CB 3.48Å; D236-T239 PolarHBondContact OD2-OG1 3.2Å; T239-T241 HydrophobicContact CG2-CG2 3.68Å
240W92.7Very high90Very high105 Ų10559.9 Ų59.940%0.39829%0.29SS..  trans-123.1100.9174.6175.750.9000108.9S128 F130 C204 V238 V250S128-W240 PolarHBondContact O-N 3Å; F130-W240 HydrophobicContact CD1-CB 4.36Å; F130-W240 HydrophobicContact CD1-CD2 4.31Å; F130-W240 HydrophobicContact CD1-CE3 4.16Å; F130-W240 HydrophobicContact CD1-CG 4.41Å; C204-W240 WeakPolarHBondContact CB-O 3.49Å; V238-W240 PolarHBondContact O-N 3.31Å; W240-V250 HydrophobicContact CB-CG2 4.45Å
241T89.1Confident89.9Confident6 Ų659.9 Ų59.94%0.03729%0.294CS..  trans-109.1172.6178.354.70000111.4F24 Q26 N206 T239 Q243F24-T241 VanDerWaalsContact O-CB 3.23Å; F24-T241 WeakPolarHBondContact O-CB 3.46Å; F24-T241 PolarHBondContact O-OG1 2.96Å; Q26-T241 HydrophobicContact CB-CG2 4.21Å; Q26-T241 WeakPolarHBondContact CB-OG1 3.35Å; Q26-T241 PolarHBondContact N-OG1 3.07Å; N206-T241 HydrophobicContact CB-CG2 3.99Å; T239-T241 HydrophobicContact CG2-CG2 3.68Å; T241-Q243 PolarHBondContact OG1-O 3.01Å
242W81.6Confident89.8Confident101 Ų10162.9 Ų62.938%0.38331%0.311SS..THydrogen-bonded Turntrans-63.2-42.6176.9-71.487000112.5T203 Y304 C307 M310 I311T203-W242 PolarHBondContact OG1-NE1 3.25Å; W242-Y304 AromaticContact CH2-CE2 3.82Å; W242-Y304 HydrophobicContact CH2-CE2 3.82Å; W242-Y304 HydrophobicContact CZ2-CD2 4.17Å; W242-Y304 AromaticContact CZ2-CE2 3.53Å; W242-Y304 HydrophobicContact CZ2-CE2 3.53Å; W242-C307 HydrophobicContact CD2-CB 4.12Å; W242-C307 HydrophobicContact CG-CB 4.27Å; W242-M310 HydrophobicContact CB-CE 3.45Å; W242-M310 VanDerWaalsContact CB-CE 3.45Å; W242-M310 HydrophobicContact CG-CE 4.32Å; W242-I311 HydrophobicContact CE3-CD1 4.25Å; W242-I311 HydrophobicContact CE3-CG1 4.07Å; W242-I311 HydrophobicContact CZ3-CG1 4.47Å
243Q78.5Confident89.6Confident70 Ų7060.7 Ų60.733%0.32730%0.295SS..BIsolated β-bridgetrans-110.771.5174.1-172176.9-7.300108.9F24 V25 Q26 T241 M310 M320F24-Q243 PolarHBondContact O-N 3.45Å; V25-Q243 WeakPolarHBondContact CA-O 3.1Å; V25-Q243 HydrophobicContact CG2-CB 3.87Å; V25-Q243 HydrophobicContact CG2-CG 4.08Å; V25-Q243 VanDerWaalsContact CG2-OE1 3.27Å; Q26-Q243 PolarHBondContact N-O 2.88Å; T241-Q243 PolarHBondContact OG1-O 3.01Å; Q243-M310 HydrophobicContact CB-CE 4.31Å; Q243-M320 HydrophobicContact CB-SD 4.27Å; Q243-M320 HydrophobicContact CG-SD 4.02Å; Q243-M320 PolarHBondContact OE1-SD 3.32Å
244G81.6Confident89.8Confident35 Ų3558.9 Ų58.936%0.36129%0.285SS..SBendtrans-148.9-164-179.100000111.3
245R85.8Confident90.2Very high55 Ų5548.3 Ų48.321%0.20824%0.24CC..  trans-68.8149.3175.3-66.8-172.4-172.7112.917.4111T28 I30 R249 V250 L253T28-R245 VanDerWaalsContact CB-NH2 3.27Å; T28-R245 PolarHBondContact O-NH2 3.05Å; T28-R245 PolarHBondContact OG1-NH1 2.76Å; T28-R245 PolarHBondContact OG1-NH2 2.91Å; I30-R245 VanDerWaalsContact CD1-CZ 3.41Å; R245-R249 HydrophobicContact CB-CB 4.05Å; R245-V250 HydrophobicContact CB-CG2 3.78Å; R245-L253 VanDerWaalsContact CD-CD1 3.45Å
246T89.4Confident90.5Very high78 Ų7847.6 Ų47.648%0.47924%0.237SC..  trans-59.8151.6171.8680000111.1I248 R249 V250T246-I248 PolarHBondContact O-N 3.44Å; T246-I248 VanDerWaalsContact O-N 3.14Å; T246-R249 PolarHBondContact O-N 2.97Å; T246-R249 WeakPolarHBondContact OG1-CG 3.34Å; T246-R249 PolarHBondContact OG1-N 2.81Å; T246-V250 WeakPolarHBondContact O-CG2 3.3Å; T246-V250 PolarHBondContact O-N 2.97Å
247A89.6Confident90.7Very high40 Ų4048.1 Ų48.133%0.33124%0.239SC..Hα-helixtrans-53.2-37.9-179.900000112.8F130 V250 L251F130-A247 HydrophobicContact CE1-CB 4.18Å; A247-V250 PolarHBondContact O-N 3.44Å; A247-L251 WeakPolarHBondContact O-CB 3.44Å; A247-L251 PolarHBondContact O-N 2.74Å
248I91.2Very high90.8Very high123 Ų12353 Ų5363%0.63126%0.264SS*.Hα-helixtrans-64.9-43.1176.5-62.5172.3000111.2T246 L251 L252T246-I248 PolarHBondContact O-N 3.44Å; T246-I248 VanDerWaalsContact O-N 3.14Å; I248-L251 PolarHBondContact O-N 3.33Å; I248-L252 HydrophobicContact CG2-CD1 3.99Å; I248-L252 HydrophobicContact CG2-CG 4.4Å; I248-L252 WeakPolarHBondContact O-CB 3.27Å; I248-L252 VanDerWaalsContact O-CG 3.32Å; I248-L252 WeakPolarHBondContact O-CG 3.46Å; I248-L252 PolarHBondContact O-N 3.16Å
249R90.8Very high90.9Very high159 Ų15959.9 Ų59.960%0.629%0.291SS*.Hα-helixtrans-66-42177.5-75.4-177.9-179.8-177.71.7111.5R245 T246 L251 L252 L253R245-R249 HydrophobicContact CB-CB 4.05Å; T246-R249 PolarHBondContact O-N 2.97Å; T246-R249 WeakPolarHBondContact OG1-CG 3.34Å; T246-R249 PolarHBondContact OG1-N 2.81Å; R249-L251 VanDerWaalsContact C-N 3.35Å; R249-L252 PolarHBondContact O-N 3.28Å; R249-L253 WeakPolarHBondContact O-CB 3.3Å; R249-L253 VanDerWaalsContact O-CG 3.23Å; R249-L253 WeakPolarHBondContact O-CG 3.33Å; R249-L253 PolarHBondContact O-N 2.95Å
250V93.1Very high91Very high3 Ų359.5 Ų59.52%0.01829%0.289CS..Hα-helixtrans-59.1-46.7174.3173.60000110.5F130 F131 T237 V238 W240 R245 T246 A247 L253 T254F130-V250 HydrophobicContact CE1-CB 4.41Å; F130-V250 HydrophobicContact CE1-CG1 4.05Å; F130-V250 HydrophobicContact CZ-CG1 4.37Å; F131-V250 HydrophobicContact CE2-CG1 4.01Å; T237-V250 WeakPolarHBondContact O-CG1 3.22Å; T237-V250 VanDerWaalsContact O-O 3.11Å; V238-V250 VanDerWaalsContact O-CG1 3.32Å; V238-V250 WeakPolarHBondContact O-CG1 3.23Å; W240-V250 HydrophobicContact CB-CG2 4.45Å; R245-V250 HydrophobicContact CB-CG2 3.78Å; T246-V250 WeakPolarHBondContact O-CG2 3.3Å; T246-V250 PolarHBondContact O-N 2.97Å; A247-V250 PolarHBondContact O-N 3.44Å; V250-L253 PolarHBondContact O-N 3.38Å; V250-T254 WeakPolarHBondContact O-CB 3.47Å; V250-T254 PolarHBondContact O-N 2.62Å; V250-T254 PolarHBondContact O-OG1 3.19Å
251L94.6Very high91.3Very high54 Ų5455.2 Ų55.228%0.28327%0.274SS..Hα-helixtrans-59.1-52.8176.3179.962000111.9M103 F130 F131 A247 I248 R249 L253 T254 L255M103-L251 HydrophobicContact CE-CD1 4.36Å; F130-L251 HydrophobicContact CZ-CB 4.23Å; F131-L251 HydrophobicContact CE1-CD1 4Å; F131-L251 HydrophobicContact CZ-CD1 3.92Å; A247-L251 WeakPolarHBondContact O-CB 3.44Å; A247-L251 PolarHBondContact O-N 2.74Å; I248-L251 PolarHBondContact O-N 3.33Å; R249-L251 VanDerWaalsContact C-N 3.35Å; L251-L253 PolarHBondContact O-N 3.2Å; L251-T254 PolarHBondContact O-N 2.86Å; L251-L255 HydrophobicContact CD1-CD1 4.07Å; L251-L255 HydrophobicContact CD1-CG 4.14Å; L251-L255 HydrophobicContact CG-CD1 4.02Å; L251-L255 HydrophobicContact CG-CG 4.44Å; L251-L255 VanDerWaalsContact O-CG 3.31Å; L251-L255 WeakPolarHBondContact O-CG 3.39Å; L251-L255 PolarHBondContact O-N 3.06Å
252L94Very high91.7Very high82 Ų8255 Ų5543%0.42927%0.273SS..Hα-helixtrans-59.3-45.8-179.7-73.4172.2000111.8V46 I248 R249 T254 L255 C256V46-L252 HydrophobicContact CG1-CD2 4.23Å; I248-L252 HydrophobicContact CG2-CD1 3.99Å; I248-L252 HydrophobicContact CG2-CG 4.4Å; I248-L252 WeakPolarHBondContact O-CB 3.27Å; I248-L252 VanDerWaalsContact O-CG 3.32Å; I248-L252 WeakPolarHBondContact O-CG 3.46Å; I248-L252 PolarHBondContact O-N 3.16Å; R249-L252 PolarHBondContact O-N 3.28Å; L252-T254 VanDerWaalsContact C-N 3.31Å; L252-T254 PolarHBondContact O-N 3Å; L252-L255 PolarHBondContact O-N 3.38Å; L252-C256 PolarHBondContact O-N 2.78Å; L252-C256 PolarHBondContact O-SG 2.91Å
253L92.9Very high92.5Very high29 Ų2951.6 Ų51.615%0.15226%0.261CS..Hα-helixtrans-62.3-38.7178.6-73.3171.6000112.5I30 T237 R245 R249 V250 L251 C256 Q257I30-L253 HydrophobicContact CD1-CD1 4.16Å; I30-L253 HydrophobicContact CD1-CD2 4.23Å; T237-L253 HydrophobicContact CG2-CB 4.01Å; R245-L253 VanDerWaalsContact CD-CD1 3.45Å; R249-L253 WeakPolarHBondContact O-CB 3.3Å; R249-L253 VanDerWaalsContact O-CG 3.23Å; R249-L253 WeakPolarHBondContact O-CG 3.33Å; R249-L253 PolarHBondContact O-N 2.95Å; V250-L253 PolarHBondContact O-N 3.38Å; L251-L253 PolarHBondContact O-N 3.2Å; L253-C256 PolarHBondContact O-N 3.48Å; L253-Q257 PolarHBondContact O-N 3.44Å
254T95.3Very high93.4Very high0 Ų048.3 Ų48.30%025%0.246CC..Hα-helixtrans-66-43.2175-62.60000111R49 F105 F131 T237 V238 V250 L251 L252 C256 Q257R49-T254 PolarHBondContact NH1-O 2.95Å; F105-T254 HydrophobicContact CE2-CG2 3.71Å; F105-T254 HydrophobicContact CZ-CG2 3.78Å; F131-T254 HydrophobicContact CE2-CG2 4.13Å; F131-T254 HydrophobicContact CZ-CG2 4.08Å; T237-T254 PolarHBondContact O-OG1 2.96Å; T237-T254 WeakPolarHBondContact OG1-CA 3.33Å; T237-T254 PolarHBondContact OG1-OG1 3.41Å; V238-T254 HydrophobicContact CG1-CG2 4.36Å; V250-T254 WeakPolarHBondContact O-CB 3.47Å; V250-T254 PolarHBondContact O-N 2.62Å; V250-T254 PolarHBondContact O-OG1 3.19Å; L251-T254 PolarHBondContact O-N 2.86Å; L252-T254 VanDerWaalsContact C-N 3.31Å; L252-T254 PolarHBondContact O-N 3Å; T254-C256 PolarHBondContact O-N 2.98Å; T254-Q257 WeakPolarHBondContact O-CB 3.18Å; T254-Q257 PolarHBondContact O-N 2.77Å
255L96.5Very high94.3Very high5 Ų549.1 Ų49.13%0.02624%0.24CC..Hα-helixtrans-67.1-22.9177.1-66.8177.9000113.2V46 R49 V50 M53 M103 L251 L252V46-L255 HydrophobicContact CG1-CD1 4.47Å; V46-L255 HydrophobicContact CG2-CB 3.9Å; R49-L255 HydrophobicContact CB-CD2 4.16Å; R49-L255 VanDerWaalsContact NH1-C 3.34Å; R49-L255 PolarHBondContact NH1-O 2.84Å; V50-L255 HydrophobicContact CG2-CD1 4.47Å; M53-L255 HydrophobicContact SD-CD2 3.82Å; M103-L255 HydrophobicContact CB-CD2 4.15Å; M103-L255 HydrophobicContact CG-CD2 4.28Å; L251-L255 HydrophobicContact CD1-CD1 4.07Å; L251-L255 HydrophobicContact CD1-CG 4.14Å; L251-L255 HydrophobicContact CG-CD1 4.02Å; L251-L255 HydrophobicContact CG-CG 4.44Å; L251-L255 VanDerWaalsContact O-CG 3.31Å; L251-L255 WeakPolarHBondContact O-CG 3.39Å; L251-L255 PolarHBondContact O-N 3.06Å; L252-L255 PolarHBondContact O-N 3.38Å
256C95.5Very high94.9Very high15 Ų1547 Ų4710%0.10123%0.232CC..THydrogen-bonded Turntrans-76.3-18171.6-70.10000113.9C38 L41 G42 L252 L253 T254C38-C256 HydrophobicContact CB-CB 4.12Å; C38-C256 PolarHBondContact O-SG 3.01Å; L41-C256 WeakPolarHBondContact CB-O 3.42Å; G42-C256 VanDerWaalsContact CA-SG 3.55Å; L252-C256 PolarHBondContact O-N 2.78Å; L252-C256 PolarHBondContact O-SG 2.91Å; L253-C256 PolarHBondContact O-N 3.48Å; T254-C256 PolarHBondContact O-N 2.98Å
257Q93.4Very high95.3Very high37 Ų3744.4 Ų44.417%0.17322%0.215CC..SBendtrans-73140.9179.6-63.2-55.7-60.800110.8R49 T237 L253 T254 Y259R49-Q257 PolarHBondContact NH1-O 3.46Å; R49-Q257 PolarHBondContact NH2-O 3.32Å; T237-Q257 HydrophobicContact CG2-CG 3.79Å; L253-Q257 PolarHBondContact O-N 3.44Å; T254-Q257 WeakPolarHBondContact O-CB 3.18Å; T254-Q257 PolarHBondContact O-N 2.77Å; Q257-Y259 VanDerWaalsContact C-N 3.25Å; Q257-Y259 PolarHBondContact O-N 3.43Å
258L93.7Very high95.7Very high106 Ų10647.5 Ų47.556%0.55523%0.232SC*.SBendtrans-56.9-42173.7-75170.6000111.9L41 L45 R49L41-L258 HydrophobicContact CD1-CG 4.19Å; L41-L258 HydrophobicContact CD2-CD2 4.11Å; L41-L258 HydrophobicContact CD2-CG 4.49Å; L45-L258 HydrophobicContact CD1-CD2 4.16Å; R49-L258 PolarHBondContact NH2-O 3.2Å
259Y94.8Very high96.1Very high146 Ų14643.4 Ų43.457%0.57321%0.213SC*.  trans-153.3155.2168.158.3-91.5000109.2G104 Q257G104-Y259 CarbonylContact O-C 3.52Å; G104-Y259 VanDerWaalsContact O-CA 3.24Å; G104-Y259 WeakPolarHBondContact O-CA 3.18Å; Q257-Y259 VanDerWaalsContact C-N 3.25Å; Q257-Y259 PolarHBondContact O-N 3.43Å
260T97.2Very high96.4Very high1 Ų137.7 Ų37.71%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-122.4117.9172.5-59.20000108G104 F105 R106 V238G104-T260 PolarHBondContact O-N 2.78Å; F105-T260 CarbonylContact C-O 3.58Å; F105-T260 VanDerWaalsContact CA-O 3.22Å; F105-T260 WeakPolarHBondContact CA-O 3.36Å; F105-T260 HydrophobicContact CD1-CG2 4.08Å; F105-T260 HydrophobicContact CE1-CG2 3.64Å; F105-T260 HydrophobicContact CZ-CG2 4.04Å; R106-T260 PolarHBondContact N-O 3.43Å; V238-T260 HydrophobicContact CG1-CG2 3.64Å
261T98.1Very high96.7Very high15 Ų1542.2 Ų42.29%0.09222%0.219CC..EExtended strand (participates in β ladder)trans-87.4134.4178.5-56.60000110R106 V108 P232 N233R106-T261 WeakPolarHBondContact O-CA 3.27Å; V108-T261 HydrophobicContact CG2-CG2 4.02Å; P232-T261 HydrophobicContact CG-CG2 4.04Å; N233-T261 PolarHBondContact ND2-O 2.96Å; N233-T261 PolarHBondContact OD1-N 3.45Å
262V98.1Very high96.8Very high0 Ų039.9 Ų39.90%021%0.208CC..EExtended strand (participates in β ladder)trans-124130167.561.50000108.8F105 R106 V107 V108 I134 R230 Y231 V264F105-V262 HydrophobicContact CD1-CB 4.35Å; F105-V262 HydrophobicContact CD1-CG1 4.01Å; R106-V262 PolarHBondContact O-N 3.21Å; V107-V262 WeakPolarHBondContact CA-O 3.47Å; V107-V262 HydrophobicContact CB-CG1 4.34Å; V107-V262 HydrophobicContact CG1-CG1 4.37Å; V107-V262 HydrophobicContact CG2-CG1 3.94Å; V108-V262 PolarHBondContact N-O 3.49Å; I134-V262 HydrophobicContact CG1-CG1 4.25Å; I134-V262 HydrophobicContact CG2-CG1 4.27Å; I134-V262 HydrophobicContact CG2-CG2 4.1Å; R230-V262 CarbonylContact O-C 3.6Å; R230-V262 WeakPolarHBondContact O-CA 3.16Å; Y231-V262 HydrophobicContact CD1-CB 3.91Å; Y231-V262 HydrophobicContact CD1-CG2 3.98Å; Y231-V262 HydrophobicContact CE1-CB 3.63Å; Y231-V262 HydrophobicContact CE1-CG2 3.48Å; Y231-V262 VanDerWaalsContact CE1-CG2 3.48Å; Y231-V262 HydrophobicContact CE2-CG2 4.47Å; V262-V264 HydrophobicContact CG2-CG2 4.47Å
263E98.3Very high96.9Very high31 Ų3141.9 Ų41.915%0.14521%0.213CC..EExtended strand (participates in β ladder)trans-101.4128171.3-49-170.2147.200109.2V108 K110 L229 R230 P232V108-E263 HydrophobicContact CB-CG 4.24Å; V108-E263 CarbonylContact O-C 3.51Å; V108-E263 VanDerWaalsContact O-CA 3.27Å; V108-E263 WeakPolarHBondContact O-CA 3.28Å; K110-E263 IonicContact NZ-OE1 3.43Å; K110-E263 PolarHBondContact NZ-OE1 2.57Å; K110-E263 IonicContact NZ-OE2 3.95Å; K110-E263 PolarHBondContact NZ-OE2 2.8Å; L229-E263 WeakPolarHBondContact CA-O 3.39Å; R230-E263 HydrophobicContact CB-CB 4.16Å; R230-E263 HydrophobicContact CB-CG 4.46Å; R230-E263 PolarHBondContact N-O 3.43Å; R230-E263 PolarHBondContact O-N 2.79Å; P232-E263 HydrophobicContact CG-CG 3.87Å
264V98.6Very high97Very high0 Ų046.1 Ų46.10%023%0.232CC..EExtended strand (participates in β ladder)trans-113.6107.5172.8-174.10000107.2V107 V108 V109 K110 I134 V138 V227 L229 V262 F266V107-V264 HydrophobicContact CG1-CG2 4.47Å; V108-V264 PolarHBondContact O-N 3.35Å; V109-V264 CarbonylContact C-O 3.58Å; V109-V264 WeakPolarHBondContact CA-O 3.14Å; K110-V264 PolarHBondContact N-O 3.44Å; I134-V264 HydrophobicContact CG2-CG2 4.48Å; V138-V264 HydrophobicContact CB-CG1 4.39Å; V138-V264 HydrophobicContact CG1-CB 4.24Å; V138-V264 HydrophobicContact CG1-CG1 4.02Å; V138-V264 HydrophobicContact CG2-CG2 4.1Å; V227-V264 HydrophobicContact CG1-CG1 3.64Å; L229-V264 HydrophobicContact CD2-CB 4.27Å; L229-V264 HydrophobicContact CD2-CG1 4.16Å; L229-V264 HydrophobicContact CD2-CG2 3.77Å; V262-V264 HydrophobicContact CG2-CG2 4.47Å; V264-F266 HydrophobicContact CG1-CE2 4.24Å; V264-F266 HydrophobicContact CG1-CZ 4.38Å
265E98.7Very high97Very high52 Ų5249.2 Ų49.224%0.24325%0.249CC..EExtended strand (participates in β ladder)trans-107.9118.4-178.4178.6-178.6-164.100111K110 V227 L228 R230K110-E265 HydrophobicContact CB-CB 3.9Å; K110-E265 HydrophobicContact CB-CG 3.87Å; K110-E265 CarbonylContact O-C 3.57Å; K110-E265 WeakPolarHBondContact O-CA 3.41Å; V227-E265 CarbonylContact C-O 3.2Å; V227-E265 VanDerWaalsContact CA-O 3.3Å; V227-E265 WeakPolarHBondContact CA-O 3.28Å; L228-E265 HydrophobicContact CB-CB 4.21Å; L228-E265 PolarHBondContact N-O 3.07Å; L228-E265 PolarHBondContact O-N 3.41Å; R230-E265 IonicContact CZ-OE2 2.82Å; R230-E265 IonicContact NH1-OE2 2.87Å; R230-E265 PolarHBondContact NH1-OE2 3.19Å; R230-E265 IonicContact NH2-OE2 2.71Å; R230-E265 PolarHBondContact NH2-OE2 2.99Å
266F98.8Very high97Very high10 Ų1049 Ų494%0.04425%0.247CC..EExtended strand (participates in β ladder)trans-84.5112.6171.1-65.3-85.3000110V109 K110 Q113 L122 V138 V227 V264V109-F266 HydrophobicContact CG1-CD2 4.07Å; V109-F266 HydrophobicContact CG1-CE2 3.87Å; K110-F266 PolarHBondContact O-N 2.93Å; Q113-F266 HydrophobicContact CB-CD1 3.77Å; Q113-F266 HydrophobicContact CB-CD2 4.31Å; Q113-F266 HydrophobicContact CB-CE1 3.66Å; Q113-F266 HydrophobicContact CB-CE2 4.19Å; Q113-F266 HydrophobicContact CB-CG 4.1Å; Q113-F266 HydrophobicContact CB-CZ 3.87Å; Q113-F266 HydrophobicContact CG-CD1 4.1Å; Q113-F266 HydrophobicContact CG-CE1 3.73Å; Q113-F266 HydrophobicContact CG-CZ 4.21Å; L122-F266 HydrophobicContact CD2-CD1 4.41Å; L122-F266 HydrophobicContact CD2-CE1 4.24Å; V138-F266 HydrophobicContact CG1-CE2 3.78Å; V138-F266 HydrophobicContact CG1-CZ 3.98Å; V227-F266 HydrophobicContact CG1-CD1 4.37Å; V227-F266 HydrophobicContact CG1-CE1 4.35Å; V227-F266 HydrophobicContact CG2-CD1 3.71Å; V227-F266 HydrophobicContact CG2-CE1 3.9Å; V264-F266 HydrophobicContact CG1-CE2 4.24Å; V264-F266 HydrophobicContact CG1-CZ 4.38Å
267M98.6Very high97Very high24 Ų2452.6 Ų52.612%0.11826%0.261CS..PPolyproline II helixtrans-76164.3173.3-62.3-175.469.100110.8Q225 P226 L228 T290 M291 A294Q225-M267 WeakPolarHBondContact CG-O 3.4Å; Q225-M267 PolarHBondContact NE2-O 2.81Å; P226-M267 HydrophobicContact CB-CB 4.04Å; P226-M267 HydrophobicContact CB-CG 4.25Å; P226-M267 HydrophobicContact CB-SD 3.8Å; P226-M267 HydrophobicContact CG-CB 4.35Å; P226-M267 HydrophobicContact CG-SD 4.49Å; P226-M267 WeakPolarHBondContact O-CB 3.45Å; P226-M267 PolarHBondContact O-N 3.43Å; L228-M267 HydrophobicContact CD1-CG 4.06Å; L228-M267 HydrophobicContact CD1-SD 3.64Å; L228-M267 HydrophobicContact CD2-SD 3.78Å; L228-M267 HydrophobicContact CG-CG 3.97Å; L228-M267 HydrophobicContact CG-SD 3.66Å; M267-T290 HydrophobicContact CE-CG2 3.98Å; M267-M291 HydrophobicContact SD-CG 4.24Å; M267-A294 HydrophobicContact CE-CB 3.59Å; M267-A294 HydrophobicContact SD-CB 4.08Å
268P98.4Very high97Very high106 Ų10659.2 Ų59.269%0.68829%0.29SS*.PPolyproline II helixtrans-55144.6167.9-25.335.5000111.6P226 Y270P226-P268 WeakPolarHBondContact CD-O 3.38Å; P268-Y270 PolarHBondContact O-N 3.13Å
269P98.2Very high97Very high36 Ų3656.5 Ų56.523%0.23428%0.279CS..PPolyproline II helixtrans-55.6135.8174.9-27.337.1000112.3V114 E118 A119V114-P269 HydrophobicContact CB-CG 4.13Å; V114-P269 HydrophobicContact CG1-CG 3.52Å; V114-P269 HydrophobicContact CG2-CG 3.63Å; E118-P269 HydrophobicContact CG-CG 4.21Å; A119-P269 HydrophobicContact CB-CB 4.23Å
270Y98.4Very high97Very high39 Ų3950.9 Ų50.915%0.15326%0.26CS..BIsolated β-bridgetrans-97113.8173.3-168.9-72.3000108.9P223 V224 P268 E276 F283 R286 V287P223-Y270 WeakPolarHBondContact CA-O 3.23Å; V224-Y270 PolarHBondContact N-O 2.57Å; V224-Y270 PolarHBondContact O-N 3.34Å; P268-Y270 PolarHBondContact O-N 3.13Å; Y270-E276 WeakPolarHBondContact CE1-OE1 3.31Å; Y270-E276 PolarHBondContact OH-OE1 3.35Å; Y270-E276 PolarHBondContact OH-OE2 3.16Å; Y270-F283 HydrophobicContact CD1-CD2 4.23Å; Y270-F283 AromaticContact CD1-CE2 3.46Å; Y270-F283 HydrophobicContact CD1-CE2 3.46Å; Y270-F283 VanDerWaalsContact CD1-CE2 3.46Å; Y270-F283 HydrophobicContact CD1-CZ 4.34Å; Y270-F283 AromaticContact CE1-CD2 3.93Å; Y270-F283 HydrophobicContact CE1-CD2 3.93Å; Y270-F283 AromaticContact CE1-CE2 3.63Å; Y270-F283 HydrophobicContact CE1-CE2 3.63Å; Y270-R286 WeakPolarHBondContact OH-CB 3.26Å; Y270-V287 HydrophobicContact CD1-CG2 3.87Å; Y270-V287 HydrophobicContact CD2-CG2 4.23Å; Y270-V287 HydrophobicContact CE1-CG2 4.1Å; Y270-V287 HydrophobicContact CE2-CG2 4.47Å; Y270-V287 HydrophobicContact CG-CG2 3.92Å
271V97.9Very high96.7Very high98 Ų9853.4 Ų53.459%0.59428%0.278SS*.PPolyproline II helixtrans-91.9121.3175.7-1790000108.8P223P223-V271 HydrophobicContact CB-CG2 4.3Å; P223-V271 HydrophobicContact CG-CG1 4.47Å; P223-V271 HydrophobicContact CG-CG2 4.26Å
272P97.4Very high96.5Very high5 Ų555.5 Ų55.53%0.03229%0.288CS..PPolyproline II helixtrans-68137.2-179.426.7-33.5000111.4G221 E276 K277 F283G221-P272 WeakPolarHBondContact O-CG 3.19Å; P272-E276 HydrophobicContact CB-CB 4Å; P272-K277 HydrophobicContact CB-CG 4.1Å; P272-K277 HydrophobicContact CG-CG 4.11Å; P272-K277 WeakPolarHBondContact O-CE 3.42Å; P272-F283 HydrophobicContact CB-CD1 3.97Å; P272-F283 HydrophobicContact CB-CD2 4.14Å; P272-F283 HydrophobicContact CB-CE1 3.71Å; P272-F283 HydrophobicContact CB-CE2 3.91Å; P272-F283 HydrophobicContact CB-CG 4.21Å; P272-F283 HydrophobicContact CB-CZ 3.68Å; P272-F283 HydrophobicContact CG-CE1 3.9Å; P272-F283 HydrophobicContact CG-CZ 3.9Å
273K96.6Very high96.5Very high125 Ų12555.5 Ų55.554%0.54329%0.288SS..PPolyproline II helixtrans-72.7167.2170-63177.9-171.6177.70111.2D275 E276 K277K273-D275 VanDerWaalsContact C-N 3.28Å; K273-D275 WeakPolarHBondContact CB-OD1 3.41Å; K273-D275 PolarHBondContact O-N 2.98Å; K273-E276 HydrophobicContact CB-CG 4.46Å; K273-E276 WeakPolarHBondContact CB-OE2 3.48Å; K273-E276 WeakPolarHBondContact CG-OE2 3.21Å; K273-E276 PolarHBondContact N-OE2 2.82Å; K273-E276 WeakPolarHBondContact O-CB 3.36Å; K273-E276 PolarHBondContact O-N 3.4Å; K273-E276 VanDerWaalsContact O-N 3.1Å; K273-K277 WeakPolarHBondContact O-CG 3.43Å; K273-K277 PolarHBondContact O-N 3.39Å
274E95.4Very high96.4Very high118 Ų11854.1 Ų54.155%0.55128%0.282SS*.Hα-helixtrans-61.4-32.8-177.6-67-54.512400114K277 K278E274-K277 IonicContact OE1-NZ 2.86Å; E274-K277 PolarHBondContact OE1-NZ 3.36Å; E274-K278 WeakPolarHBondContact O-CG 3.49Å; E274-K278 PolarHBondContact O-N 2.85Å
275D95.4Very high96.3Very high65 Ų6556 Ų5635%0.34830%0.295SS..Hα-helixtrans-70.1-39.6173.961-23.1000111.9K273 K278 C279 L282 R286K273-D275 VanDerWaalsContact C-N 3.28Å; K273-D275 WeakPolarHBondContact CB-OD1 3.41Å; K273-D275 PolarHBondContact O-N 2.98Å; D275-K278 PolarHBondContact O-N 3.06Å; D275-C279 WeakPolarHBondContact O-CB 3.38Å; D275-C279 PolarHBondContact O-N 3.23Å; D275-L282 HydrophobicContact CB-CD2 4.3Å; D275-R286 IonicContact OD1-NH1 3.03Å; D275-R286 PolarHBondContact OD1-NH1 3.48Å; D275-R286 IonicContact OD2-CZ 2.93Å; D275-R286 VanDerWaalsContact OD2-CZ 3.26Å; D275-R286 IonicContact OD2-NH1 3.39Å; D275-R286 PolarHBondContact OD2-NH1 3.43Å; D275-R286 IonicContact OD2-NH2 3.26Å; D275-R286 PolarHBondContact OD2-NH2 2.89Å
276E96.2Very high96.2Very high0 Ų056.7 Ų56.70%030%0.296CS..Hα-helixtrans-67.1-38176.2-70.6176119.800112.8Y270 P272 K273 K278 C279 L282 F283 R286Y270-E276 WeakPolarHBondContact CE1-OE1 3.31Å; Y270-E276 PolarHBondContact OH-OE1 3.35Å; Y270-E276 PolarHBondContact OH-OE2 3.16Å; P272-E276 HydrophobicContact CB-CB 4Å; K273-E276 HydrophobicContact CB-CG 4.46Å; K273-E276 WeakPolarHBondContact CB-OE2 3.48Å; K273-E276 WeakPolarHBondContact CG-OE2 3.21Å; K273-E276 PolarHBondContact N-OE2 2.82Å; K273-E276 WeakPolarHBondContact O-CB 3.36Å; K273-E276 PolarHBondContact O-N 3.4Å; K273-E276 VanDerWaalsContact O-N 3.1Å; E276-K278 PolarHBondContact O-N 3.45Å; E276-C279 CarbonylContact O-C 3.33Å; E276-C279 PolarHBondContact O-N 3.08Å; E276-C279 VanDerWaalsContact O-N 3.17Å; E276-C279 VanDerWaalsContact O-O 3.11Å; E276-L282 HydrophobicContact CG-CD2 4.48Å; E276-L282 HydrophobicContact CG-CG 4.34Å; E276-F283 HydrophobicContact CB-CB 3.77Å; E276-F283 HydrophobicContact CB-CD2 4.35Å; E276-F283 HydrophobicContact CB-CG 4.07Å; E276-F283 HydrophobicContact CG-CB 4.2Å; E276-R286 WeakPolarHBondContact OE1-CB 3.49Å; E276-R286 WeakPolarHBondContact OE1-CD 3.37Å; E276-R286 IonicContact OE1-NH1 3.17Å; E276-R286 IonicContact OE2-NH1 2.71Å
277K94Very high96.2Very high90 Ų9056.2 Ų56.239%0.39129%0.294SS..Hα-helixtrans-61.1-35.2174.3-70.8176.8-173.8170.50112.1P272 K273 E274P272-K277 HydrophobicContact CB-CG 4.1Å; P272-K277 HydrophobicContact CG-CG 4.11Å; P272-K277 WeakPolarHBondContact O-CE 3.42Å; K273-K277 WeakPolarHBondContact O-CG 3.43Å; K273-K277 PolarHBondContact O-N 3.39Å; E274-K277 IonicContact OE1-NZ 2.86Å; E274-K277 PolarHBondContact OE1-NZ 3.36Å
278K93.6Very high96.2Very high177 Ų17755.7 Ų55.777%0.7729%0.29SS*.Hα-helixtrans-80.8-24.6176.7-66.1175.4-174.8-179.50112.6E274 D275 E276E274-K278 WeakPolarHBondContact O-CG 3.49Å; E274-K278 PolarHBondContact O-N 2.85Å; D275-K278 PolarHBondContact O-N 3.06Å; E276-K278 PolarHBondContact O-N 3.45Å
279C93.4Very high96.1Very high49 Ų4953.9 Ų53.933%0.33128%0.275SS..  trans-129.288.3-174.2-166.20000111.5D275 E276 S281 L282 F283D275-C279 WeakPolarHBondContact O-CB 3.38Å; D275-C279 PolarHBondContact O-N 3.23Å; E276-C279 CarbonylContact O-C 3.33Å; E276-C279 PolarHBondContact O-N 3.08Å; E276-C279 VanDerWaalsContact O-N 3.17Å; E276-C279 VanDerWaalsContact O-O 3.11Å; C279-S281 PolarHBondContact O-N 3.5Å; C279-S281 VanDerWaalsContact O-N 3.15Å; C279-S281 PolarHBondContact SG-OG 3.46Å; C279-L282 HydrophobicContact CB-CB 3.91Å; C279-L282 WeakPolarHBondContact O-CB 3.33Å; C279-L282 PolarHBondContact O-N 2.75Å; C279-F283 PolarHBondContact O-N 2.7Å; C279-F283 VanDerWaalsContact O-N 3.09Å
280P94.8Very high96.1Very high27 Ų2754.7 Ų54.718%0.17528%0.279CS..Hα-helixtrans-58.8-28.5-178.4-28.136.2000114.7Q215 F218 I219 A284Q215-P280 HydrophobicContact CB-CB 4.18Å; Q215-P280 HydrophobicContact CG-CB 4.46Å; F218-P280 HydrophobicContact CB-CB 4.44Å; I219-P280 HydrophobicContact CG1-CB 4.13Å; I219-P280 HydrophobicContact CG1-CG 4.22Å; P280-A284 WeakPolarHBondContact O-CB 3.21Å; P280-A284 PolarHBondContact O-N 3.19Å
281S91.6Very high96.1Very high55 Ų5552.9 Ų52.939%0.38527%0.272SS..Hα-helixtrans-67.3-40.517446.20000112.5C279 A284 S285C279-S281 PolarHBondContact O-N 3.5Å; C279-S281 VanDerWaalsContact O-N 3.15Å; C279-S281 PolarHBondContact SG-OG 3.46Å; S281-A284 PolarHBondContact O-N 3.12Å; S281-S285 PolarHBondContact O-N 3.36Å
282L94.2Very high96.1Very high59 Ų5948.4 Ų48.431%0.30925%0.245SC..Hα-helixtrans-65.6-43.9175.5-178.563.4000110.4D275 E276 C279 S285 R286D275-L282 HydrophobicContact CB-CD2 4.3Å; E276-L282 HydrophobicContact CG-CD2 4.48Å; E276-L282 HydrophobicContact CG-CG 4.34Å; C279-L282 HydrophobicContact CB-CB 3.91Å; C279-L282 WeakPolarHBondContact O-CB 3.33Å; C279-L282 PolarHBondContact O-N 2.75Å; L282-S285 PolarHBondContact O-N 2.9Å; L282-R286 HydrophobicContact CD1-CG 4.44Å; L282-R286 PolarHBondContact O-N 3.22Å
283F97.8Very high96.2Very high0 Ų057 Ų570%028%0.282CS..Hα-helixtrans-58.1-50175.5-171.8-168.1000111.4F218 V224 Y270 P272 E276 C279 S285 R286 V287F218-F283 HydrophobicContact CB-CB 4.2Å; F218-F283 HydrophobicContact CB-CD1 3.6Å; F218-F283 HydrophobicContact CB-CE1 4.19Å; F218-F283 HydrophobicContact CB-CG 4.07Å; F218-F283 AromaticContact CD1-CD1 3.79Å; F218-F283 HydrophobicContact CD1-CD1 3.79Å; F218-F283 HydrophobicContact CD1-CD2 4.06Å; F218-F283 AromaticContact CD1-CE1 3.86Å; F218-F283 HydrophobicContact CD1-CE1 3.86Å; F218-F283 HydrophobicContact CD1-CE2 4.1Å; F218-F283 AromaticContact CD1-CG 3.88Å; F218-F283 HydrophobicContact CD1-CG 3.88Å; F218-F283 HydrophobicContact CD1-CZ 4.02Å; F218-F283 HydrophobicContact CG-CD1 4.17Å; F218-F283 HydrophobicContact CG-CG 4.35Å; V224-F283 HydrophobicContact CB-CZ 4.43Å; V224-F283 HydrophobicContact CG1-CE1 4.22Å; V224-F283 HydrophobicContact CG1-CZ 3.8Å; V224-F283 HydrophobicContact CG2-CE2 4.05Å; V224-F283 HydrophobicContact CG2-CZ 3.84Å; Y270-F283 HydrophobicContact CD1-CD2 4.23Å; Y270-F283 AromaticContact CD1-CE2 3.46Å; Y270-F283 HydrophobicContact CD1-CE2 3.46Å; Y270-F283 VanDerWaalsContact CD1-CE2 3.46Å; Y270-F283 HydrophobicContact CD1-CZ 4.34Å; Y270-F283 AromaticContact CE1-CD2 3.93Å; Y270-F283 HydrophobicContact CE1-CD2 3.93Å; Y270-F283 AromaticContact CE1-CE2 3.63Å; Y270-F283 HydrophobicContact CE1-CE2 3.63Å; P272-F283 HydrophobicContact CB-CD1 3.97Å; P272-F283 HydrophobicContact CB-CD2 4.14Å; P272-F283 HydrophobicContact CB-CE1 3.71Å; P272-F283 HydrophobicContact CB-CE2 3.91Å; P272-F283 HydrophobicContact CB-CG 4.21Å; P272-F283 HydrophobicContact CB-CZ 3.68Å; P272-F283 HydrophobicContact CG-CE1 3.9Å; P272-F283 HydrophobicContact CG-CZ 3.9Å; E276-F283 HydrophobicContact CB-CB 3.77Å; E276-F283 HydrophobicContact CB-CD2 4.35Å; E276-F283 HydrophobicContact CB-CG 4.07Å; E276-F283 HydrophobicContact CG-CB 4.2Å; C279-F283 PolarHBondContact O-N 2.7Å; C279-F283 VanDerWaalsContact O-N 3.09Å; F283-S285 VanDerWaalsContact C-N 3.3Å; F283-S285 PolarHBondContact O-N 3.4Å; F283-R286 PolarHBondContact O-N 2.88Å; F283-V287 HydrophobicContact CD2-CG2 3.68Å; F283-V287 HydrophobicContact CE2-CG2 3.42Å; F283-V287 VanDerWaalsContact CE2-CG2 3.42Å; F283-V287 HydrophobicContact CZ-CG2 4.46Å; F283-V287 WeakPolarHBondContact O-CG2 3.44Å; F283-V287 PolarHBondContact O-N 2.64Å
284A97.2Very high96.3Very high2 Ų253.1 Ų53.12%0.01727%0.273CS..Hα-helixtrans-57.3-42.9177.200000112.2F213 F218 P280 S281 R288F213-A284 HydrophobicContact CB-CB 3.99Å; F218-A284 HydrophobicContact CD2-CB 3.38Å; F218-A284 HydrophobicContact CE2-CB 3.61Å; F218-A284 HydrophobicContact CG-CB 3.9Å; F218-A284 HydrophobicContact CZ-CB 4.29Å; P280-A284 WeakPolarHBondContact O-CB 3.21Å; P280-A284 PolarHBondContact O-N 3.19Å; S281-A284 PolarHBondContact O-N 3.12Å; A284-R288 WeakPolarHBondContact O-CB 3.44Å; A284-R288 PolarHBondContact O-N 3.38Å
285S94.9Very high96.4Very high39 Ų3949 Ų4927%0.27326%0.255SS..Hα-helixtrans-65.3-47.1178.9-168.10000112.1S281 L282 F283 V287 R288 D289S281-S285 PolarHBondContact O-N 3.36Å; L282-S285 PolarHBondContact O-N 2.9Å; F283-S285 VanDerWaalsContact C-N 3.3Å; F283-S285 PolarHBondContact O-N 3.4Å; S285-V287 VanDerWaalsContact C-N 3.33Å; S285-V287 PolarHBondContact O-N 3.1Å; S285-R288 WeakPolarHBondContact O-CB 3.44Å; S285-R288 PolarHBondContact O-N 3.01Å; S285-D289 PolarHBondContact O-N 2.92Å
286R97.6Very high96.4Very high67 Ų6749.2 Ų49.225%0.25327%0.272SS..Hα-helixtrans-66.3-36.2-178.8-68.4-168.1-176.6150.11.5112.4Y270 D275 E276 L282 F283 D289 T290Y270-R286 WeakPolarHBondContact OH-CB 3.26Å; D275-R286 IonicContact OD1-NH1 3.03Å; D275-R286 PolarHBondContact OD1-NH1 3.48Å; D275-R286 IonicContact OD2-CZ 2.93Å; D275-R286 VanDerWaalsContact OD2-CZ 3.26Å; D275-R286 IonicContact OD2-NH1 3.39Å; D275-R286 PolarHBondContact OD2-NH1 3.43Å; D275-R286 IonicContact OD2-NH2 3.26Å; D275-R286 PolarHBondContact OD2-NH2 2.89Å; E276-R286 WeakPolarHBondContact OE1-CB 3.49Å; E276-R286 WeakPolarHBondContact OE1-CD 3.37Å; E276-R286 IonicContact OE1-NH1 3.17Å; E276-R286 IonicContact OE2-NH1 2.71Å; L282-R286 HydrophobicContact CD1-CG 4.44Å; L282-R286 PolarHBondContact O-N 3.22Å; F283-R286 PolarHBondContact O-N 2.88Å; R286-D289 PolarHBondContact O-N 3.05Å; R286-T290 WeakPolarHBondContact O-CB 3.28Å; R286-T290 PolarHBondContact O-N 3.01Å; R286-T290 PolarHBondContact O-OG1 2.99Å
287V98.4Very high96.4Very high0 Ų051 Ų510%028%0.283CS..Hα-helixtrans-65.4-44.6172.6174.30000110.6F213 F218 V224 P226 Y270 F283 S285 D289 T290 M291F213-V287 HydrophobicContact CE2-CG1 4.37Å; F218-V287 HydrophobicContact CD1-CG2 4.45Å; F218-V287 HydrophobicContact CE1-CB 3.85Å; F218-V287 HydrophobicContact CE1-CG1 3.96Å; F218-V287 HydrophobicContact CE1-CG2 3.87Å; F218-V287 HydrophobicContact CZ-CB 4.29Å; F218-V287 HydrophobicContact CZ-CG1 4.22Å; V224-V287 HydrophobicContact CG2-CG1 4.29Å; V224-V287 HydrophobicContact CG2-CG2 3.9Å; P226-V287 HydrophobicContact CG-CG1 4.28Å; Y270-V287 HydrophobicContact CD1-CG2 3.87Å; Y270-V287 HydrophobicContact CD2-CG2 4.23Å; Y270-V287 HydrophobicContact CE1-CG2 4.1Å; Y270-V287 HydrophobicContact CE2-CG2 4.47Å; Y270-V287 HydrophobicContact CG-CG2 3.92Å; F283-V287 HydrophobicContact CD2-CG2 3.68Å; F283-V287 HydrophobicContact CE2-CG2 3.42Å; F283-V287 VanDerWaalsContact CE2-CG2 3.42Å; F283-V287 HydrophobicContact CZ-CG2 4.46Å; F283-V287 WeakPolarHBondContact O-CG2 3.44Å; F283-V287 PolarHBondContact O-N 2.64Å; S285-V287 VanDerWaalsContact C-N 3.33Å; S285-V287 PolarHBondContact O-N 3.1Å; V287-D289 PolarHBondContact O-N 3.18Å; V287-T290 PolarHBondContact O-N 2.82Å; V287-M291 HydrophobicContact CG1-CG 4.44Å; V287-M291 HydrophobicContact CG1-SD 3.94Å; V287-M291 VanDerWaalsContact O-CG 3.29Å; V287-M291 WeakPolarHBondContact O-CG 3.44Å; V287-M291 PolarHBondContact O-N 3.07Å
288R98.2Very high96.4Very high13 Ų1349.9 Ų49.95%0.04929%0.286CS..Hα-helixtrans-55.3-49.3173.4-178.2-175.666.9170.1-3.1111.5L210 I211 F213 A284 S285 T290 M291 A292 V299 T300 D301L210-R288 HydrophobicContact CB-CG 3.88Å; L210-R288 HydrophobicContact CD1-CG 4.1Å; I211-R288 WeakPolarHBondContact O-CD 3.41Å; F213-R288 HydrophobicContact CD1-CB 4.19Å; F213-R288 HydrophobicContact CD1-CG 4.07Å; F213-R288 HydrophobicContact CD2-CB 3.67Å; F213-R288 HydrophobicContact CD2-CG 4.4Å; F213-R288 HydrophobicContact CE1-CB 4.28Å; F213-R288 HydrophobicContact CE1-CG 3.98Å; F213-R288 HydrophobicContact CE2-CB 3.77Å; F213-R288 HydrophobicContact CE2-CG 4.33Å; F213-R288 HydrophobicContact CG-CB 3.9Å; F213-R288 HydrophobicContact CG-CG 4.29Å; F213-R288 HydrophobicContact CZ-CB 4.08Å; F213-R288 HydrophobicContact CZ-CG 4.12Å; A284-R288 WeakPolarHBondContact O-CB 3.44Å; A284-R288 PolarHBondContact O-N 3.38Å; S285-R288 WeakPolarHBondContact O-CB 3.44Å; S285-R288 PolarHBondContact O-N 3.01Å; R288-T290 VanDerWaalsContact C-N 3.31Å; R288-T290 PolarHBondContact O-N 2.93Å; R288-M291 PolarHBondContact O-N 3.12Å; R288-A292 WeakPolarHBondContact O-CB 3.24Å; R288-A292 PolarHBondContact O-N 3.25Å; R288-V299 HydrophobicContact CG-CG1 4.02Å; R288-T300 PolarHBondContact NH1-O 2.81Å; R288-D301 IonicContact CZ-OD1 2.62Å; R288-D301 IonicContact NH1-OD1 3.01Å; R288-D301 IonicContact NH2-OD1 3.68Å; R288-D301 PolarHBondContact NH2-OD1 3.46Å
289D97.7Very high96.3Very high68 Ų6843.7 Ų43.736%0.36426%0.262SS..Hα-helixtrans-65-37.7-176.9-60-22.3000111.4S285 R286 V287 A292 K293S285-D289 PolarHBondContact O-N 2.92Å; R286-D289 PolarHBondContact O-N 3.05Å; V287-D289 PolarHBondContact O-N 3.18Å; D289-A292 PolarHBondContact O-N 3.06Å; D289-K293 WeakPolarHBondContact O-CB 3.3Å; D289-K293 PolarHBondContact O-N 2.76Å
290T98.3Very high96Very high53 Ų5341.6 Ų41.633%0.32525%0.248SC..Hα-helixtrans-63.5-44.6174.2-57.90000111.5M267 R286 V287 R288 A294M267-T290 HydrophobicContact CE-CG2 3.98Å; R286-T290 WeakPolarHBondContact O-CB 3.28Å; R286-T290 PolarHBondContact O-N 3.01Å; R286-T290 PolarHBondContact O-OG1 2.99Å; V287-T290 PolarHBondContact O-N 2.82Å; R288-T290 VanDerWaalsContact C-N 3.31Å; R288-T290 PolarHBondContact O-N 2.93Å; T290-A294 PolarHBondContact O-N 3.27Å
291M98.6Very high95.4Very high0 Ų043 Ų430%025%0.254CS..Hα-helixtrans-66.7-43.7176.7-68.2175.385.900111.7A123 A125 L210 F213 P226 V227 L228 M267 V287 R288 K293 A294 L295A123-M291 VanDerWaalsContact O-CE 3.28Å; A123-M291 WeakPolarHBondContact O-CE 3.48Å; A125-M291 HydrophobicContact CB-CE 3.47Å; A125-M291 VanDerWaalsContact CB-CE 3.47Å; A125-M291 HydrophobicContact CB-SD 4.3Å; L210-M291 HydrophobicContact CD1-CB 3.79Å; F213-M291 HydrophobicContact CE2-SD 3.57Å; F213-M291 VanDerWaalsContact CE2-SD 3.57Å; F213-M291 HydrophobicContact CZ-SD 3.76Å; P226-M291 HydrophobicContact CB-CE 4.09Å; P226-M291 HydrophobicContact CB-CG 3.68Å; P226-M291 HydrophobicContact CB-SD 3.88Å; P226-M291 HydrophobicContact CG-CG 4.49Å; V227-M291 WeakPolarHBondContact O-CE 3.47Å; L228-M291 HydrophobicContact CD2-CB 3.77Å; L228-M291 HydrophobicContact CD2-CE 3.62Å; L228-M291 HydrophobicContact CD2-CG 3.86Å; M267-M291 HydrophobicContact SD-CG 4.24Å; V287-M291 HydrophobicContact CG1-CG 4.44Å; V287-M291 HydrophobicContact CG1-SD 3.94Å; V287-M291 VanDerWaalsContact O-CG 3.29Å; V287-M291 WeakPolarHBondContact O-CG 3.44Å; V287-M291 PolarHBondContact O-N 3.07Å; R288-M291 PolarHBondContact O-N 3.12Å; M291-K293 VanDerWaalsContact C-N 3.34Å; M291-K293 PolarHBondContact O-N 3.15Å; M291-A294 PolarHBondContact O-N 3.47Å; M291-L295 WeakPolarHBondContact O-CB 3.03Å; M291-L295 WeakPolarHBondContact O-CG 3.13Å; M291-L295 PolarHBondContact O-N 3.33Å
292A97.9Very high95.2Very high4 Ų441.2 Ų41.23%0.03324%0.239CC..Hα-helixtrans-59.5-44.7177.900000111.4L210 R288 D289 A294 L295 G296 V297 V299L210-A292 HydrophobicContact CD1-CB 3.94Å; L210-A292 HydrophobicContact CG-CB 4.35Å; R288-A292 WeakPolarHBondContact O-CB 3.24Å; R288-A292 PolarHBondContact O-N 3.25Å; D289-A292 PolarHBondContact O-N 3.06Å; A292-A294 VanDerWaalsContact C-N 3.34Å; A292-A294 PolarHBondContact O-N 3.22Å; A292-L295 CarbonylContact O-C 3.49Å; A292-L295 PolarHBondContact O-N 3.33Å; A292-G296 PolarHBondContact O-N 3.18Å; A292-V297 PolarHBondContact O-N 3.04Å; A292-V297 VanDerWaalsContact O-N 3.16Å; A292-V299 HydrophobicContact CB-CG1 3.42Å; A292-V299 VanDerWaalsContact CB-CG1 3.42Å
293K98.2Very high94.8Very high186 Ų18638.9 Ų38.981%0.80923%0.228SC*.Hα-helixtrans-60.1-41.9175.2-173.9178.1-179.2179.60112.4D289 M291 G296D289-K293 WeakPolarHBondContact O-CB 3.3Å; D289-K293 PolarHBondContact O-N 2.76Å; M291-K293 VanDerWaalsContact C-N 3.34Å; M291-K293 PolarHBondContact O-N 3.15Å; K293-G296 PolarHBondContact O-N 3.25Å
294A98.1Very high94.1Very high43 Ų4340.2 Ų40.236%0.35523%0.233SC..Hα-helixtrans-74.1-25.5178.300000113.6L228 R230 M267 T290 M291 A292L228-A294 HydrophobicContact CD1-CB 3.64Å; R230-A294 PolarHBondContact NH2-O 3.21Å; M267-A294 HydrophobicContact CE-CB 3.59Å; M267-A294 HydrophobicContact SD-CB 4.08Å; T290-A294 PolarHBondContact O-N 3.27Å; M291-A294 PolarHBondContact O-N 3.47Å; A292-A294 VanDerWaalsContact C-N 3.34Å; A292-A294 PolarHBondContact O-N 3.22Å
295L97.6Very high93.5Very high31 Ų3143 Ų4316%0.16225%0.246CC..Hα-helixtrans-81.4-23.3172.2-73.9166.3000112.8P126 L210 L228 R230 M291 A292 V297P126-L295 HydrophobicContact CG-CD1 3.87Å; L210-L295 HydrophobicContact CD1-CD1 4.08Å; L210-L295 HydrophobicContact CD2-CD1 3.92Å; L210-L295 HydrophobicContact CG-CD1 4.2Å; L228-L295 HydrophobicContact CB-CD2 4.08Å; L228-L295 HydrophobicContact CD1-CD2 4.24Å; L228-L295 HydrophobicContact CD1-CG 4.14Å; L228-L295 HydrophobicContact CD2-CD1 4.1Å; L228-L295 HydrophobicContact CD2-CD2 4.35Å; L228-L295 HydrophobicContact CD2-CG 3.98Å; L228-L295 HydrophobicContact CG-CD2 4.46Å; L228-L295 HydrophobicContact CG-CG 4.47Å; R230-L295 HydrophobicContact CG-CD2 4.09Å; M291-L295 WeakPolarHBondContact O-CB 3.03Å; M291-L295 WeakPolarHBondContact O-CG 3.13Å; M291-L295 PolarHBondContact O-N 3.33Å; A292-L295 CarbonylContact O-C 3.49Å; A292-L295 PolarHBondContact O-N 3.33Å; L295-V297 HydrophobicContact CB-CG1 4.33Å; L295-V297 HydrophobicContact CB-CG2 3.8Å; L295-V297 HydrophobicContact CD1-CG2 4.26Å
296G96.6Very high93Very high70 Ų7041.2 Ų41.272%0.72223%0.233SC*.THydrogen-bonded Turntrans73.130.6-173.300000113.1A292 K293A292-G296 PolarHBondContact O-N 3.18Å; K293-G296 PolarHBondContact O-N 3.25Å
297V94.8Very high92.3Very high37 Ų3738 Ų3822%0.22422%0.221CC..  trans-120.7151.6-179-58.50000110.8L210 A292 L295L210-V297 HydrophobicContact CG-CG2 4.26Å; A292-V297 PolarHBondContact O-N 3.04Å; A292-V297 VanDerWaalsContact O-N 3.16Å; L295-V297 HydrophobicContact CB-CG1 4.33Å; L295-V297 HydrophobicContact CB-CG2 3.8Å; L295-V297 HydrophobicContact CD1-CG2 4.26Å
298P94.6Very high91.7Very high68 Ų6842.9 Ų42.944%0.44224%0.239SC..  trans-69170.7173.927.5-33.9000112.4V20 S208 C209 L210V20-P298 HydrophobicContact CG1-CB 4.5Å; V20-P298 HydrophobicContact CG1-CG 3.83Å; V20-P298 HydrophobicContact CG2-CB 4.38Å; V20-P298 HydrophobicContact CG2-CG 4.46Å; S208-P298 WeakPolarHBondContact O-CD 3.34Å; C209-P298 CarbonylContact C-O 3.59Å; C209-P298 WeakPolarHBondContact CA-O 3.36Å; C209-P298 HydrophobicContact CB-CG 3.97Å; C209-P298 WeakPolarHBondContact CB-O 3.41Å; L210-P298 PolarHBondContact N-O 2.86Å
299V91.1Very high91Very high46 Ų4642.3 Ų42.328%0.27924%0.237SC..BIsolated β-bridgetrans-111.9156.1170.3-61.70000110.2L210 R288 A292L210-V299 HydrophobicContact CB-CG1 4.41Å; L210-V299 WeakPolarHBondContact O-CA 3.2Å; R288-V299 HydrophobicContact CG-CG1 4.02Å; A292-V299 HydrophobicContact CB-CG1 3.42Å; A292-V299 VanDerWaalsContact CB-CG1 3.42Å
300T86.9Confident90.4Very high5 Ų539 Ų393%0.03122%0.22CC..  trans-142.6153.4174-172.60000111.3P23 C209 L210 I211 T212 R288 H302P23-T300 HydrophobicContact CG-CG2 4.33Å; C209-T300 VanDerWaalsContact SG-CG2 3.54Å; L210-T300 PolarHBondContact O-N 3.4Å; I211-T300 CarbonylContact C-O 3.48Å; I211-T300 WeakPolarHBondContact CA-O 3.47Å; I211-T300 HydrophobicContact CB-CG2 4.41Å; I211-T300 HydrophobicContact CG2-CG2 3.84Å; T212-T300 PolarHBondContact N-O 3.21Å; R288-T300 PolarHBondContact NH1-O 2.81Å; T300-H302 VanDerWaalsContact C-N 3.28Å; T300-H302 HydrophobicContact CG2-CB 4.07Å; T300-H302 WeakPolarHBondContact CG2-ND1 3.39Å; T300-H302 PolarHBondContact O-N 3.19Å; T300-H302 PolarHBondContact OG1-CE1 2.94Å; T300-H302 PolarHBondContact OG1-ND1 3.27Å
301D83.8Confident89.8Confident58 Ų5838.9 Ų38.931%0.3122%0.216SC..  trans-88.58.4-176.7-69.4-24.9000113.8T212 R288 E326T212-D301 VanDerWaalsContact OG1-C 3.27Å; T212-D301 WeakPolarHBondContact OG1-CA 3.44Å; T212-D301 PolarHBondContact OG1-O 3.49Å; T212-D301 VanDerWaalsContact OG1-O 3.06Å; R288-D301 IonicContact CZ-OD1 2.62Å; R288-D301 IonicContact NH1-OD1 3.01Å; R288-D301 IonicContact NH2-OD1 3.68Å; R288-D301 PolarHBondContact NH2-OD1 3.46Å; D301-E326 HydrophobicContact CB-CB 4.42Å; D301-E326 HydrophobicContact CB-CG 4.45Å
302H86.7Confident89.2Confident16 Ų1639.8 Ų39.87%0.07422%0.222CC..  trans-56148.4169.6-6695.7000112F24 I211 T212 T300 D306F24-H302 HydrophobicContact CE2-CB 3.85Å; F24-H302 HydrophobicContact CZ-CB 3.99Å; I211-H302 WeakPolarHBondContact CB-O 3.32Å; I211-H302 HydrophobicContact CG2-CB 4.27Å; T212-H302 WeakPolarHBondContact CB-O 3.32Å; T212-H302 PolarHBondContact N-O 3.34Å; T212-H302 PolarHBondContact OG1-O 3.49Å; T300-H302 VanDerWaalsContact C-N 3.28Å; T300-H302 HydrophobicContact CG2-CB 4.07Å; T300-H302 WeakPolarHBondContact CG2-ND1 3.39Å; T300-H302 PolarHBondContact O-N 3.19Å; T300-H302 PolarHBondContact OG1-CE1 2.94Å; T300-H302 PolarHBondContact OG1-ND1 3.27Å; H302-D306 WeakPolarHBondContact CA-OD2 3.28Å
303T86.4Confident88.5Confident10 Ų1039.6 Ų39.66%0.06122%0.221CC..  trans-134.5-178.817973.50000111.4T212 E305 D306 T328T212-T303 HydrophobicContact CG2-CG2 4.3Å; T303-E305 WeakPolarHBondContact CB-OE2 3.46Å; T303-E305 PolarHBondContact O-N 3.2Å; T303-E305 PolarHBondContact OG1-N 2.78Å; T303-E305 PolarHBondContact OG1-OE2 3.39Å; T303-D306 PolarHBondContact N-OD2 3.08Å; T303-D306 WeakPolarHBondContact O-CB 3.46Å; T303-D306 PolarHBondContact O-N 3.01Å; T303-D306 PolarHBondContact OG1-OD2 3.47Å; T303-T328 WeakPolarHBondContact CG2-OG1 3.23Å; T303-T328 PolarHBondContact OG1-OG1 3.02Å
304Y83.5Confident87.8Confident29 Ų2931.9 Ų31.911%0.11419%0.194CC..Hα-helixtrans-62.3-29.6174.4173-111.7000112.6R170 W242 D306 C307 R308R170-Y304 PolarHBondContact NH1-OH 3.15Å; R170-Y304 PolarHBondContact NH2-OH 3.4Å; W242-Y304 AromaticContact CH2-CE2 3.82Å; W242-Y304 HydrophobicContact CH2-CE2 3.82Å; W242-Y304 HydrophobicContact CZ2-CD2 4.17Å; W242-Y304 AromaticContact CZ2-CE2 3.53Å; W242-Y304 HydrophobicContact CZ2-CE2 3.53Å; Y304-D306 VanDerWaalsContact C-N 3.31Å; Y304-C307 HydrophobicContact CD2-CB 4.45Å; Y304-C307 WeakPolarHBondContact O-CB 3.48Å; Y304-C307 PolarHBondContact O-N 2.86Å; Y304-R308 HydrophobicContact CE1-CG 3.99Å; Y304-R308 HydrophobicContact CE2-CG 4.39Å; Y304-R308 PolarHBondContact O-N 2.89Å
305E83.5Confident87.3Confident61 Ų6136.8 Ų36.829%0.28521%0.21SC..Hα-helixtrans-62.7-37.9175.9-66.669.1-154.100111.3T303 C307 R308 L309 F327 W338T303-E305 WeakPolarHBondContact CB-OE2 3.46Å; T303-E305 PolarHBondContact O-N 3.2Å; T303-E305 PolarHBondContact OG1-N 2.78Å; T303-E305 PolarHBondContact OG1-OE2 3.39Å; E305-C307 VanDerWaalsContact C-N 3.34Å; E305-C307 PolarHBondContact O-N 3.45Å; E305-R308 WeakPolarHBondContact O-CB 3.49Å; E305-R308 PolarHBondContact O-N 3.49Å; E305-R308 VanDerWaalsContact O-N 3.08Å; E305-L309 PolarHBondContact O-N 3.5Å; E305-F327 HydrophobicContact CB-CB 4.18Å; E305-F327 HydrophobicContact CB-CD1 3.55Å; E305-F327 HydrophobicContact CB-CE1 4.24Å; E305-F327 HydrophobicContact CB-CG 4Å; E305-F327 HydrophobicContact CG-CD1 3.92Å; E305-F327 HydrophobicContact CG-CE1 4.19Å; E305-W338 HydrophobicContact CB-CE3 4.3Å; E305-W338 HydrophobicContact CB-CZ3 3.96Å; E305-W338 WeakPolarHBondContact O-CZ3 3.44Å
306D84.8Confident86.7Confident0 Ų038.1 Ų38.10%022%0.217CC..Hα-helixtrans-62.4-40.1172.6-64.2-75.6000111.8F24 H302 T303 Y304 R308 L309 M310 L324 V325 E326 F327F24-D306 HydrophobicContact CE2-CB 4.5Å; H302-D306 WeakPolarHBondContact CA-OD2 3.28Å; T303-D306 PolarHBondContact N-OD2 3.08Å; T303-D306 WeakPolarHBondContact O-CB 3.46Å; T303-D306 PolarHBondContact O-N 3.01Å; T303-D306 PolarHBondContact OG1-OD2 3.47Å; Y304-D306 VanDerWaalsContact C-N 3.31Å; D306-R308 PolarHBondContact O-N 2.93Å; D306-L309 PolarHBondContact O-N 3.27Å; D306-M310 VanDerWaalsContact O-CB 3.28Å; D306-M310 WeakPolarHBondContact O-CB 3.31Å; D306-M310 PolarHBondContact O-N 3.09Å; D306-L324 HydrophobicContact CB-CD2 4.05Å; D306-V325 PolarHBondContact OD1-N 3.36Å; D306-E326 VanDerWaalsContact OD1-CA 3.27Å; D306-E326 WeakPolarHBondContact OD1-CA 3.35Å; D306-E326 PolarHBondContact OD1-N 3.36Å; D306-F327 PolarHBondContact OD1-N 2.84Å; D306-F327 PolarHBondContact OD2-N 2.9Å
307C83.2Confident86.1Confident0 Ų041 Ų410%022%0.221CC..Hα-helixtrans-59.5-36.3173.5-49.40000111.9F24 W242 Y304 E305 I311F24-C307 WeakPolarHBondContact CD1-SG 3.41Å; F24-C307 WeakPolarHBondContact CE1-SG 3.43Å; F24-C307 WeakPolarHBondContact CZ-SG 3.27Å; W242-C307 HydrophobicContact CD2-CB 4.12Å; W242-C307 HydrophobicContact CG-CB 4.27Å; Y304-C307 HydrophobicContact CD2-CB 4.45Å; Y304-C307 WeakPolarHBondContact O-CB 3.48Å; Y304-C307 PolarHBondContact O-N 2.86Å; E305-C307 VanDerWaalsContact C-N 3.34Å; E305-C307 PolarHBondContact O-N 3.45Å; C307-I311 WeakPolarHBondContact O-CG1 3.26Å; C307-I311 PolarHBondContact O-N 3.03Å; C307-I311 VanDerWaalsContact O-N 3.17Å
308R85Confident85.5Confident103 Ų10340 Ų4039%0.38921%0.214SC..Hα-helixtrans-70.3-41.2178.1-70.1-179.364.7-148.3-0.4111.4Y304 E305 D306 M310 I311 S312 W338Y304-R308 HydrophobicContact CE1-CG 3.99Å; Y304-R308 HydrophobicContact CE2-CG 4.39Å; Y304-R308 PolarHBondContact O-N 2.89Å; E305-R308 WeakPolarHBondContact O-CB 3.49Å; E305-R308 PolarHBondContact O-N 3.49Å; E305-R308 VanDerWaalsContact O-N 3.08Å; D306-R308 PolarHBondContact O-N 2.93Å; R308-M310 VanDerWaalsContact C-N 3.33Å; R308-I311 PolarHBondContact O-N 3.42Å; R308-S312 PolarHBondContact O-N 2.98Å; R308-S312 PolarHBondContact O-OG 3.37Å; R308-W338 HydrophobicContact CB-CH2 3.37Å; R308-W338 HydrophobicContact CB-CZ2 3.9Å; R308-W338 HydrophobicContact CB-CZ3 4.21Å; R308-W338 VanDerWaalsContact CZ-CZ2 3.49Å
309L84.6Confident84.8Confident0 Ų038.5 Ų38.50%020%0.204CC..Hα-helixtrans-64.4-41.8175.9-71.6169.9000110.8E305 D306 I311 S312 A313 G323 V325 F327 W338 L341 L345E305-L309 PolarHBondContact O-N 3.5Å; D306-L309 PolarHBondContact O-N 3.27Å; L309-I311 VanDerWaalsContact C-N 3.31Å; L309-I311 PolarHBondContact O-N 2.86Å; L309-S312 CarbonylContact O-C 3.52Å; L309-S312 PolarHBondContact O-N 3.2Å; L309-S312 VanDerWaalsContact O-N 3.15Å; L309-A313 WeakPolarHBondContact O-CB 3.37Å; L309-A313 PolarHBondContact O-N 2.63Å; L309-G323 VanDerWaalsContact CB-O 3.28Å; L309-G323 WeakPolarHBondContact CB-O 3.31Å; L309-V325 HydrophobicContact CD1-CG2 3.79Å; L309-F327 HydrophobicContact CD1-CB 3.99Å; L309-F327 HydrophobicContact CD1-CD2 3.9Å; L309-F327 HydrophobicContact CD1-CG 4.27Å; L309-W338 HydrophobicContact CB-CH2 4.41Å; L309-W338 HydrophobicContact CD1-CZ3 4.12Å; L309-W338 HydrophobicContact CD2-CH2 3.55Å; L309-W338 HydrophobicContact CD2-CZ2 4.25Å; L309-W338 HydrophobicContact CD2-CZ3 3.75Å; L309-W338 HydrophobicContact CG-CH2 3.53Å; L309-W338 HydrophobicContact CG-CZ3 3.53Å; L309-L341 HydrophobicContact CD1-CD2 3.44Å; L309-L341 VanDerWaalsContact CD1-CD2 3.44Å; L309-L341 HydrophobicContact CD2-CD2 3.71Å; L309-L341 HydrophobicContact CG-CD2 4.23Å; L309-L345 HydrophobicContact CD2-CD2 4.23Å
310M84.8Confident84.1Confident0 Ų039.1 Ų39.10%021%0.205CC..Hα-helixtrans-55-45.1175.1-177.5-178.18600112.1F24 W242 Q243 D306 R308 A313 G314 M320 L324F24-M310 HydrophobicContact CB-CE 4.02Å; F24-M310 HydrophobicContact CB-SD 3.97Å; W242-M310 HydrophobicContact CB-CE 3.45Å; W242-M310 VanDerWaalsContact CB-CE 3.45Å; W242-M310 HydrophobicContact CG-CE 4.32Å; Q243-M310 HydrophobicContact CB-CE 4.31Å; D306-M310 VanDerWaalsContact O-CB 3.28Å; D306-M310 WeakPolarHBondContact O-CB 3.31Å; D306-M310 PolarHBondContact O-N 3.09Å; R308-M310 VanDerWaalsContact C-N 3.33Å; M310-A313 PolarHBondContact O-N 3.39Å; M310-G314 PolarHBondContact O-N 2.94Å; M310-G314 VanDerWaalsContact O-N 3.15Å; M310-M320 WeakPolarHBondContact CA-O 3.36Å; M310-M320 HydrophobicContact CG-CB 3.53Å; M310-M320 HydrophobicContact CG-CG 4.23Å; M310-M320 VanDerWaalsContact CG-O 3.23Å; M310-M320 WeakPolarHBondContact CG-O 3.36Å; M310-M320 HydrophobicContact SD-CB 4.37Å; M310-L324 HydrophobicContact CB-CD2 4.18Å; M310-L324 HydrophobicContact CG-CD2 4.45Å; M310-L324 HydrophobicContact SD-CD2 4.09Å; M310-L324 HydrophobicContact SD-CG 4.47Å
311I84.5Confident83.6Confident50 Ų5045 Ų4526%0.25623%0.232SC..Hα-helixtrans-66.5-45.3175.3-64.9-63000111.2W242 C307 R308 L309 A313 G314 E315W242-I311 HydrophobicContact CE3-CD1 4.25Å; W242-I311 HydrophobicContact CE3-CG1 4.07Å; W242-I311 HydrophobicContact CZ3-CG1 4.47Å; C307-I311 WeakPolarHBondContact O-CG1 3.26Å; C307-I311 PolarHBondContact O-N 3.03Å; C307-I311 VanDerWaalsContact O-N 3.17Å; R308-I311 PolarHBondContact O-N 3.42Å; L309-I311 VanDerWaalsContact C-N 3.31Å; L309-I311 PolarHBondContact O-N 2.86Å; I311-A313 VanDerWaalsContact C-N 3.3Å; I311-A313 PolarHBondContact O-N 3.4Å; I311-G314 PolarHBondContact O-N 2.81Å; I311-G314 VanDerWaalsContact O-N 3.15Å; I311-E315 HydrophobicContact CG2-CG 4.48Å; I311-E315 WeakPolarHBondContact O-CG 3.41Å; I311-E315 PolarHBondContact O-N 3.02Å
312S86Confident83.3Confident18 Ų1842.8 Ų42.813%0.12622%0.221CC..Hα-helixtrans-61.8-35.9177-67.60000112.9R308 L309 E315 L316R308-S312 PolarHBondContact O-N 2.98Å; R308-S312 PolarHBondContact O-OG 3.37Å; L309-S312 CarbonylContact O-C 3.52Å; L309-S312 PolarHBondContact O-N 3.2Å; L309-S312 VanDerWaalsContact O-N 3.15Å; S312-E315 PolarHBondContact O-N 2.95Å; S312-L316 VanDerWaalsContact O-CG 3.27Å; S312-L316 WeakPolarHBondContact O-CG 3.35Å; S312-L316 PolarHBondContact O-N 2.84Å; S312-L316 VanDerWaalsContact O-N 3.07Å
313A84.6Confident82.8Confident0 Ų042 Ų420%022%0.217CC..Hα-helixtrans-62.8-44.4173.500000111.1L309 M310 I311 E315 L316 T317 L318 L345L309-A313 WeakPolarHBondContact O-CB 3.37Å; L309-A313 PolarHBondContact O-N 2.63Å; M310-A313 PolarHBondContact O-N 3.39Å; I311-A313 VanDerWaalsContact C-N 3.3Å; I311-A313 PolarHBondContact O-N 3.4Å; A313-E315 PolarHBondContact O-N 2.91Å; A313-L316 CarbonylContact O-C 3.56Å; A313-L316 WeakPolarHBondContact O-CA 3.16Å; A313-L316 WeakPolarHBondContact O-CB 3.13Å; A313-L316 PolarHBondContact O-N 3.48Å; A313-L316 VanDerWaalsContact O-N 3.1Å; A313-T317 PolarHBondContact O-N 3.29Å; A313-L318 HydrophobicContact CB-CB 4.24Å; A313-L318 WeakPolarHBondContact O-CB 3.27Å; A313-L318 PolarHBondContact O-N 2.8Å; A313-L345 HydrophobicContact CB-CD1 4.3Å; A313-L345 HydrophobicContact CB-CD2 4.29Å
314G83.5Confident82.5Confident24 Ų2442.6 Ų42.625%0.24722%0.219CC..Hα-helixtrans-63.6-37.8175.100000113.9M310 I311 L316 T317M310-G314 PolarHBondContact O-N 2.94Å; M310-G314 VanDerWaalsContact O-N 3.15Å; I311-G314 PolarHBondContact O-N 2.81Å; I311-G314 VanDerWaalsContact O-N 3.15Å; G314-L316 PolarHBondContact O-N 2.89Å; G314-T317 PolarHBondContact O-N 3.46Å
315E86.6Confident82.1Confident146 Ų14641.3 Ų41.368%0.68222%0.215SC*.Hα-helixtrans-63-30.6172.4-71171.6165.100112I311 S312 A313 T317I311-E315 HydrophobicContact CG2-CG 4.48Å; I311-E315 WeakPolarHBondContact O-CG 3.41Å; I311-E315 PolarHBondContact O-N 3.02Å; S312-E315 PolarHBondContact O-N 2.95Å; A313-E315 PolarHBondContact O-N 2.91Å; E315-T317 VanDerWaalsContact C-N 3.26Å; E315-T317 PolarHBondContact O-N 2.8Å
316L85.5Confident81.7Confident59 Ų5938.6 Ų38.631%0.30920%0.202SC..THydrogen-bonded Turntrans-87.112.3173.6-65.2168.1000113S312 A313 G314 L318 L345 E346 A349S312-L316 VanDerWaalsContact O-CG 3.27Å; S312-L316 WeakPolarHBondContact O-CG 3.35Å; S312-L316 PolarHBondContact O-N 2.84Å; S312-L316 VanDerWaalsContact O-N 3.07Å; A313-L316 CarbonylContact O-C 3.56Å; A313-L316 WeakPolarHBondContact O-CA 3.16Å; A313-L316 WeakPolarHBondContact O-CB 3.13Å; A313-L316 PolarHBondContact O-N 3.48Å; A313-L316 VanDerWaalsContact O-N 3.1Å; G314-L316 PolarHBondContact O-N 2.89Å; L316-L318 PolarHBondContact O-N 3.39Å; L316-L345 HydrophobicContact CD1-CD2 4.36Å; L316-L345 HydrophobicContact CD1-CG 3.97Å; L316-E346 HydrophobicContact CD1-CG 4.1Å; L316-A349 HydrophobicContact CB-CB 3.79Å; L316-A349 HydrophobicContact CD1-CB 3.88Å; L316-A349 HydrophobicContact CD2-CB 4.41Å; L316-A349 HydrophobicContact CG-CB 4.24Å
317T84.1Confident81.3Confident132 Ų13239.3 Ų39.381%0.8121%0.205SC*.THydrogen-bonded Turntrans62.814.8179.266.10000115.9A313 G314 E315A313-T317 PolarHBondContact O-N 3.29Å; G314-T317 PolarHBondContact O-N 3.46Å; E315-T317 VanDerWaalsContact C-N 3.26Å; E315-T317 PolarHBondContact O-N 2.8Å
318L81.9Confident80.9Confident14 Ų1440.8 Ų40.87%0.07321%0.214CC..SBendtrans-82.4158.7170.1-62.3173.4000110.6A313 L316 M320 T322 L345 F348 A349 A352A313-L318 HydrophobicContact CB-CB 4.24Å; A313-L318 WeakPolarHBondContact O-CB 3.27Å; A313-L318 PolarHBondContact O-N 2.8Å; L316-L318 PolarHBondContact O-N 3.39Å; L318-M320 PolarHBondContact O-N 3.27Å; L318-T322 HydrophobicContact CD1-CG2 4.17Å; L318-L345 HydrophobicContact CD1-CD1 4.15Å; L318-F348 HydrophobicContact CD1-CD1 3.97Å; L318-F348 HydrophobicContact CD1-CE1 4.31Å; L318-A349 HydrophobicContact CD1-CB 3.62Å; L318-A349 HydrophobicContact CG-CB 4.09Å; L318-A352 HydrophobicContact CD2-CB 4.02Å
319P80.6Confident80.2Confident37 Ų3737.8 Ų37.824%0.2420%0.204CC..  trans-53.2135.4164-25.838000110.5E321 T322 G357P319-E321 HydrophobicContact CB-CG 3.93Å; P319-E321 PolarHBondContact O-N 2.98Å; P319-T322 WeakPolarHBondContact O-CB 3.42Å; P319-T322 PolarHBondContact O-N 2.83Å; P319-T322 VanDerWaalsContact O-N 3.07Å; P319-T322 PolarHBondContact O-OG1 3.28Å; P319-G357 VanDerWaalsContact CG-C 3.49Å; P319-G357 WeakPolarHBondContact CG-O 3.24Å
320M76.6Confident79.5Confident59 Ų5937.9 Ų37.929%0.29120%0.204SC..G310 helixtrans-59.7-36.7-177.6-79.5-171.4-178.700111.8Q243 M310 L318 T322 G323Q243-M320 HydrophobicContact CB-SD 4.27Å; Q243-M320 HydrophobicContact CG-SD 4.02Å; Q243-M320 PolarHBondContact OE1-SD 3.32Å; M310-M320 WeakPolarHBondContact CA-O 3.36Å; M310-M320 HydrophobicContact CG-CB 3.53Å; M310-M320 HydrophobicContact CG-CG 4.23Å; M310-M320 VanDerWaalsContact CG-O 3.23Å; M310-M320 WeakPolarHBondContact CG-O 3.36Å; M310-M320 HydrophobicContact SD-CB 4.37Å; L318-M320 PolarHBondContact O-N 3.27Å; M320-T322 PolarHBondContact O-N 3.31Å; M320-T322 VanDerWaalsContact O-N 3.12Å; M320-G323 PolarHBondContact O-N 2.76Å
321E76.1Confident78.9Confident129 Ų12939.2 Ų39.260%0.60321%0.214SC*.G310 helixtrans-56.9-24.1176.561.2-152.7179.600114.4P319 G323 L324P319-E321 HydrophobicContact CB-CG 3.93Å; P319-E321 PolarHBondContact O-N 2.98Å; E321-G323 PolarHBondContact O-N 2.82Å; E321-G323 VanDerWaalsContact O-N 3.16Å; E321-L324 WeakPolarHBondContact O-CB 3.24Å; E321-L324 PolarHBondContact O-N 2.9Å
322T77.9Confident78.1Confident12 Ų1245.7 Ų45.77%0.07424%0.235CC..G310 helixtrans-56-31171.3-54.70000112.2L318 P319 M320 L324 V325 F348 F394L318-T322 HydrophobicContact CD1-CG2 4.17Å; P319-T322 WeakPolarHBondContact O-CB 3.42Å; P319-T322 PolarHBondContact O-N 2.83Å; P319-T322 VanDerWaalsContact O-N 3.07Å; P319-T322 PolarHBondContact O-OG1 3.28Å; M320-T322 PolarHBondContact O-N 3.31Å; M320-T322 VanDerWaalsContact O-N 3.12Å; T322-L324 VanDerWaalsContact C-N 3.3Å; T322-L324 PolarHBondContact O-N 3.4Å; T322-V325 WeakPolarHBondContact O-CG1 3.48Å; T322-F348 HydrophobicContact CG2-CD1 4.2Å; T322-F348 HydrophobicContact CG2-CE1 3.7Å; T322-F394 HydrophobicContact CG2-CB 3.36Å; T322-F394 HydrophobicContact CG2-CG 4.18Å; T322-F394 WeakPolarHBondContact O-CD1 3.48Å
323G75.1Confident77.2Confident0 Ų049.3 Ų49.30%025%0.249CC..G310 helixtrans-79.4-2.9176.900000115.3L309 M320 E321 V325L309-G323 VanDerWaalsContact CB-O 3.28Å; L309-G323 WeakPolarHBondContact CB-O 3.31Å; M320-G323 PolarHBondContact O-N 2.76Å; E321-G323 PolarHBondContact O-N 2.82Å; E321-G323 VanDerWaalsContact O-N 3.16Å; G323-V325 PolarHBondContact O-N 2.98Å
324L79.3Confident76.4Confident21 Ų2151.2 Ų51.211%0.1126%0.259CS..  trans-91.773.3-176.8-63.2-176.4000111.9N22 F24 D306 M310 E321 T322N22-L324 HydrophobicContact CB-CD1 4.18Å; N22-L324 WeakPolarHBondContact ND2-CD1 3.41Å; N22-L324 VanDerWaalsContact OD1-CD1 3.3Å; N22-L324 WeakPolarHBondContact OD1-CD1 3.4Å; F24-L324 HydrophobicContact CD2-CD1 4.49Å; F24-L324 HydrophobicContact CD2-CD2 3.62Å; F24-L324 HydrophobicContact CE2-CD2 3.89Å; D306-L324 HydrophobicContact CB-CD2 4.05Å; M310-L324 HydrophobicContact CB-CD2 4.18Å; M310-L324 HydrophobicContact CG-CD2 4.45Å; M310-L324 HydrophobicContact SD-CD2 4.09Å; M310-L324 HydrophobicContact SD-CG 4.47Å; E321-L324 WeakPolarHBondContact O-CB 3.24Å; E321-L324 PolarHBondContact O-N 2.9Å; T322-L324 VanDerWaalsContact C-N 3.3Å; T322-L324 PolarHBondContact O-N 3.4Å
325V76.3Confident75.7Confident3 Ų357.2 Ų57.22%0.01829%0.285CS..SBendtrans-105.610.6-170-57.80000113.7D306 L309 T322 G323 F327 I330 L341 F394 R395D306-V325 PolarHBondContact OD1-N 3.36Å; L309-V325 HydrophobicContact CD1-CG2 3.79Å; T322-V325 WeakPolarHBondContact O-CG1 3.48Å; G323-V325 PolarHBondContact O-N 2.98Å; V325-F327 VanDerWaalsContact C-N 3.34Å; V325-F327 HydrophobicContact CG2-CB 4.49Å; V325-F327 PolarHBondContact O-N 3.47Å; V325-I330 HydrophobicContact CB-CD1 3.81Å; V325-I330 HydrophobicContact CG2-CD1 4.08Å; V325-I330 WeakPolarHBondContact O-CD1 3.17Å; V325-I330 WeakPolarHBondContact O-CG1 3.02Å; V325-L341 HydrophobicContact CG2-CD2 4.36Å; V325-F394 HydrophobicContact CG1-CD1 3.53Å; V325-F394 HydrophobicContact CG1-CE1 4.09Å; V325-F394 HydrophobicContact CG1-CG 4.45Å; V325-R395 HydrophobicContact CB-CB 4.01Å; V325-R395 HydrophobicContact CG1-CB 3.78Å; V325-R395 PolarHBondContact O-NH1 3.24Å
326E75.8Confident75.1Confident3 Ų350.6 Ų50.61%0.01425%0.254CS..  trans47.955.9-167.1-49.5175.613000111.2L17 D301 D306 T328 K329 I330 R395L17-E326 HydrophobicContact CD2-CG 3.83Å; L17-E326 WeakPolarHBondContact CD2-OE1 3.3Å; D301-E326 HydrophobicContact CB-CB 4.42Å; D301-E326 HydrophobicContact CB-CG 4.45Å; D306-E326 VanDerWaalsContact OD1-CA 3.27Å; D306-E326 WeakPolarHBondContact OD1-CA 3.35Å; D306-E326 PolarHBondContact OD1-N 3.36Å; E326-T328 PolarHBondContact O-N 3.44Å; E326-K329 HydrophobicContact CB-CB 4.2Å; E326-K329 WeakPolarHBondContact O-CB 3.29Å; E326-K329 PolarHBondContact O-N 3.22Å; E326-K329 WeakPolarHBondContact OE2-CD 3.27Å; E326-K329 IonicContact OE2-NZ 2.68Å; E326-K329 PolarHBondContact OE2-NZ 3.17Å; E326-I330 PolarHBondContact O-N 2.78Å; E326-R395 IonicContact OE2-CZ 2.8Å; E326-R395 IonicContact OE2-NH1 3.49Å; E326-R395 PolarHBondContact OE2-NH1 3.16Å; E326-R395 IonicContact OE2-NH2 2.72Å; E326-R395 PolarHBondContact OE2-NH2 3.04Å
327F76.6Confident74.8Confident16 Ų1655.1 Ų55.17%0.0727%0.271CS..Hα-helixtrans-40.7-46.6-170.3171.3-98.3000113.2E305 D306 L309 V325 K329 I330 S331 W338 L341E305-F327 HydrophobicContact CB-CB 4.18Å; E305-F327 HydrophobicContact CB-CD1 3.55Å; E305-F327 HydrophobicContact CB-CE1 4.24Å; E305-F327 HydrophobicContact CB-CG 4Å; E305-F327 HydrophobicContact CG-CD1 3.92Å; E305-F327 HydrophobicContact CG-CE1 4.19Å; D306-F327 PolarHBondContact OD1-N 2.84Å; D306-F327 PolarHBondContact OD2-N 2.9Å; L309-F327 HydrophobicContact CD1-CB 3.99Å; L309-F327 HydrophobicContact CD1-CD2 3.9Å; L309-F327 HydrophobicContact CD1-CG 4.27Å; V325-F327 VanDerWaalsContact C-N 3.34Å; V325-F327 HydrophobicContact CG2-CB 4.49Å; V325-F327 PolarHBondContact O-N 3.47Å; F327-K329 VanDerWaalsContact C-N 3.28Å; F327-K329 PolarHBondContact O-N 3.37Å; F327-I330 PolarHBondContact O-N 3.37Å; F327-S331 WeakPolarHBondContact O-CB 3.11Å; F327-S331 PolarHBondContact O-N 3.38Å; F327-W338 HydrophobicContact CD2-CE3 4.36Å; F327-W338 HydrophobicContact CE1-CE3 4.37Å; F327-W338 HydrophobicContact CE2-CE3 4.02Å; F327-W338 HydrophobicContact CZ-CB 4.18Å; F327-W338 HydrophobicContact CZ-CE3 4.04Å; F327-L341 HydrophobicContact CD2-CB 4.41Å; F327-L341 HydrophobicContact CD2-CD1 3.82Å; F327-L341 HydrophobicContact CD2-CD2 3.82Å; F327-L341 HydrophobicContact CD2-CG 4.23Å; F327-L341 HydrophobicContact CE2-CB 3.9Å; F327-L341 HydrophobicContact CE2-CD1 3.88Å; F327-L341 HydrophobicContact CE2-CD2 4.16Å; F327-L341 HydrophobicContact CE2-CG 4.2Å
328T73.5Confident74.6Confident31 Ų3150.6 Ų50.619%0.1924%0.24CC..Hα-helixtrans-64.1-32.6-175.4-59.90000112.7T303 E326 R332T303-T328 WeakPolarHBondContact CG2-OG1 3.23Å; T303-T328 PolarHBondContact OG1-OG1 3.02Å; E326-T328 PolarHBondContact O-N 3.44Å; T328-R332 WeakPolarHBondContact O-CB 3.34Å; T328-R332 WeakPolarHBondContact O-CG 3.24Å; T328-R332 PolarHBondContact O-N 3.15Å; T328-R332 VanDerWaalsContact O-N 3.12Å
329K70.6Confident74.7Confident39 Ų3955.1 Ų55.117%0.1726%0.264CS..Hα-helixtrans-72.5-45177.7-173.1177.1177.91790110.8S14 E326 F327 K333S14-K329 WeakPolarHBondContact O-CE 3.36Å; S14-K329 PolarHBondContact O-NZ 2.81Å; E326-K329 HydrophobicContact CB-CB 4.2Å; E326-K329 WeakPolarHBondContact O-CB 3.29Å; E326-K329 PolarHBondContact O-N 3.22Å; E326-K329 WeakPolarHBondContact OE2-CD 3.27Å; E326-K329 IonicContact OE2-NZ 2.68Å; E326-K329 PolarHBondContact OE2-NZ 3.17Å; F327-K329 VanDerWaalsContact C-N 3.28Å; F327-K329 PolarHBondContact O-N 3.37Å; K329-K333 WeakPolarHBondContact O-CB 3.34Å; K329-K333 WeakPolarHBondContact O-CG 3.48Å; K329-K333 PolarHBondContact O-N 3.49Å; K329-K333 VanDerWaalsContact O-N 3.13Å
330I69.6Low74.7Confident2 Ų255.8 Ų55.81%0.0127%0.269CS..Hα-helixtrans-64.1-49.4175.5-62.5-175.7000110.2V325 E326 F327 R332 K333 L334 L336 L341 R395 V398V325-I330 HydrophobicContact CB-CD1 3.81Å; V325-I330 HydrophobicContact CG2-CD1 4.08Å; V325-I330 WeakPolarHBondContact O-CD1 3.17Å; V325-I330 WeakPolarHBondContact O-CG1 3.02Å; E326-I330 PolarHBondContact O-N 2.78Å; F327-I330 PolarHBondContact O-N 3.37Å; I330-R332 PolarHBondContact O-N 3.15Å; I330-K333 PolarHBondContact O-N 2.96Å; I330-L334 HydrophobicContact CG2-CD1 3.64Å; I330-L334 HydrophobicContact CG2-CG 4.31Å; I330-L334 WeakPolarHBondContact O-CB 3.36Å; I330-L334 PolarHBondContact O-N 3.18Å; I330-L336 HydrophobicContact CG2-CD1 4.08Å; I330-L341 HydrophobicContact CG2-CD1 4.11Å; I330-R395 HydrophobicContact CD1-CB 4.45Å; I330-R395 HydrophobicContact CD1-CG 3.86Å; I330-V398 HydrophobicContact CG2-CG1 4.06Å
331S72Confident74.8Confident29 Ų2953 Ų5320%0.20326%0.255CS..Hα-helixtrans-54.2-47.1178.8173.30000112.3F327 N335 L336F327-S331 WeakPolarHBondContact O-CB 3.11Å; F327-S331 PolarHBondContact O-N 3.38Å; S331-N335 CarbonylContact O-C 3.45Å; S331-N335 WeakPolarHBondContact O-CA 3.23Å; S331-N335 PolarHBondContact O-N 3.03Å; S331-L336 WeakPolarHBondContact CB-O 3.39Å; S331-L336 PolarHBondContact O-N 3.22Å; S331-L336 PolarHBondContact OG-O 3.39Å
332R68.2Low75.2Confident185 Ų18550.4 Ų50.470%0.69824%0.242SC*.Hα-helixtrans-67.9-41.9178.1-80.3-172.8-103.8151.3-6.1113.2T328 I330T328-R332 WeakPolarHBondContact O-CB 3.34Å; T328-R332 WeakPolarHBondContact O-CG 3.24Å; T328-R332 PolarHBondContact O-N 3.15Å; T328-R332 VanDerWaalsContact O-N 3.12Å; I330-R332 PolarHBondContact O-N 3.15Å
333K67.4Low75.6Confident95 Ų9556.7 Ų56.741%0.41327%0.268SS..Hα-helixtrans-73.8-35.1-176.8-76.1-172.4169.3-1630113.1S14 L15 K329 I330S14-K333 PolarHBondContact OG-NZ 3.3Å; L15-K333 HydrophobicContact CD2-CD 4.08Å; K329-K333 WeakPolarHBondContact O-CB 3.34Å; K329-K333 WeakPolarHBondContact O-CG 3.48Å; K329-K333 PolarHBondContact O-N 3.49Å; K329-K333 VanDerWaalsContact O-N 3.13Å; I330-K333 PolarHBondContact O-N 2.96Å
334L67.9Low76Confident40 Ų4057.7 Ų57.721%0.20927%0.273CS..Hα-helixtrans-105.54-175.6-55.2-178.5000112.9I330 L336 I399 N402 I403I330-L334 HydrophobicContact CG2-CD1 3.64Å; I330-L334 HydrophobicContact CG2-CG 4.31Å; I330-L334 WeakPolarHBondContact O-CB 3.36Å; I330-L334 PolarHBondContact O-N 3.18Å; L334-L336 HydrophobicContact CB-CD1 3.87Å; L334-L336 HydrophobicContact CB-CG 3.83Å; L334-L336 HydrophobicContact CD1-CD1 3.98Å; L334-L336 PolarHBondContact O-N 3.5Å; L334-I399 HydrophobicContact CD1-CG1 4.36Å; L334-N402 HydrophobicContact CD1-CB 3.82Å; L334-I403 HydrophobicContact CD2-CD1 3.96Å; L334-I403 HydrophobicContact CD2-CG1 3.69Å
335N68.9Low76.4Confident150 Ų15056.7 Ų56.780%0.80227%0.268SS*.THydrogen-bonded Turntrans51.339.1-174.4-163.627.4000113.2S331S331-N335 CarbonylContact O-C 3.45Å; S331-N335 WeakPolarHBondContact O-CA 3.23Å; S331-N335 PolarHBondContact O-N 3.03Å
336L73.7Confident76.9Confident6 Ų660.5 Ų60.53%0.03129%0.285CS..  trans-90.1134.2-176.6-75.2175.1000111.9I330 S331 L334 C340 L341 V398 N402 R406I330-L336 HydrophobicContact CG2-CD1 4.08Å; S331-L336 WeakPolarHBondContact CB-O 3.39Å; S331-L336 PolarHBondContact O-N 3.22Å; S331-L336 PolarHBondContact OG-O 3.39Å; L334-L336 HydrophobicContact CB-CD1 3.87Å; L334-L336 HydrophobicContact CB-CG 3.83Å; L334-L336 HydrophobicContact CD1-CD1 3.98Å; L334-L336 PolarHBondContact O-N 3.5Å; L336-C340 HydrophobicContact CD2-CB 4.3Å; L336-L341 HydrophobicContact CD1-CD1 4.1Å; L336-V398 HydrophobicContact CD1-CG1 3.74Å; L336-N402 VanDerWaalsContact CD2-OD1 3.32Å; L336-N402 WeakPolarHBondContact CD2-OD1 3.37Å; L336-R406 VanDerWaalsContact CD2-NH1 3.31Å
337K79.6Confident77.2Confident154 Ų15462.6 Ų62.667%0.6730%0.3SS*.  trans-87.8159.1171.5-64.6-177.5-178.2175.90111.1D339 C340 L341K337-D339 PolarHBondContact O-N 3.1Å; K337-C340 PolarHBondContact O-N 3.49Å; K337-L341 PolarHBondContact O-N 3.14Å; K337-L341 VanDerWaalsContact O-N 3.14Å
338W80Confident77.7Confident37 Ų3761.9 Ų61.914%0.1430%0.297CS..Hα-helixtrans-52.4-49.7177.7173.2-96.1000112.7E305 R308 L309 F327 C340 L341 K342E305-W338 HydrophobicContact CB-CE3 4.3Å; E305-W338 HydrophobicContact CB-CZ3 3.96Å; E305-W338 WeakPolarHBondContact O-CZ3 3.44Å; R308-W338 HydrophobicContact CB-CH2 3.37Å; R308-W338 HydrophobicContact CB-CZ2 3.9Å; R308-W338 HydrophobicContact CB-CZ3 4.21Å; R308-W338 VanDerWaalsContact CZ-CZ2 3.49Å; L309-W338 HydrophobicContact CB-CH2 4.41Å; L309-W338 HydrophobicContact CD1-CZ3 4.12Å; L309-W338 HydrophobicContact CD2-CH2 3.55Å; L309-W338 HydrophobicContact CD2-CZ2 4.25Å; L309-W338 HydrophobicContact CD2-CZ3 3.75Å; L309-W338 HydrophobicContact CG-CH2 3.53Å; L309-W338 HydrophobicContact CG-CZ3 3.53Å; F327-W338 HydrophobicContact CD2-CE3 4.36Å; F327-W338 HydrophobicContact CE1-CE3 4.37Å; F327-W338 HydrophobicContact CE2-CE3 4.02Å; F327-W338 HydrophobicContact CZ-CB 4.18Å; F327-W338 HydrophobicContact CZ-CE3 4.04Å; W338-C340 VanDerWaalsContact C-N 3.3Å; W338-C340 PolarHBondContact O-N 3.5Å; W338-L341 PolarHBondContact O-N 3.33Å; W338-K342 PolarHBondContact O-N 3.39Å
339D82.2Confident78.2Confident110 Ų11060.8 Ų60.859%0.58829%0.291SS*.Hα-helixtrans-65.6-34.4-175.8-57.9-43.3000112.3K337 K343K337-D339 PolarHBondContact O-N 3.1Å; D339-K343 WeakPolarHBondContact O-CG 3.23Å; D339-K343 PolarHBondContact O-N 3.37Å; D339-K343 VanDerWaalsContact O-N 3.1Å
340C80.6Confident78.7Confident51 Ų5162.2 Ų62.235%0.34531%0.31SS..Hα-helixtrans-63.7-49.2174-61.70000110.4L336 K337 W338 K342 K343 E344L336-C340 HydrophobicContact CD2-CB 4.3Å; K337-C340 PolarHBondContact O-N 3.49Å; W338-C340 VanDerWaalsContact C-N 3.3Å; W338-C340 PolarHBondContact O-N 3.5Å; C340-K342 VanDerWaalsContact C-N 3.31Å; C340-K342 PolarHBondContact O-N 2.82Å; C340-K343 WeakPolarHBondContact O-CB 3.22Å; C340-K343 PolarHBondContact O-N 3.19Å; C340-K343 VanDerWaalsContact O-N 3.13Å; C340-E344 WeakPolarHBondContact O-CG 3.45Å; C340-E344 PolarHBondContact O-N 2.9Å
341L80.3Confident79.1Confident0 Ų063.3 Ų63.30%032%0.316CS..Hα-helixtrans-69.4-31.1-176.5-157.6136.2000112.3L309 V325 F327 I330 L336 K337 W338 E344 L345 F394 V398L309-L341 HydrophobicContact CD1-CD2 3.44Å; L309-L341 VanDerWaalsContact CD1-CD2 3.44Å; L309-L341 HydrophobicContact CD2-CD2 3.71Å; L309-L341 HydrophobicContact CG-CD2 4.23Å; V325-L341 HydrophobicContact CG2-CD2 4.36Å; F327-L341 HydrophobicContact CD2-CB 4.41Å; F327-L341 HydrophobicContact CD2-CD1 3.82Å; F327-L341 HydrophobicContact CD2-CD2 3.82Å; F327-L341 HydrophobicContact CD2-CG 4.23Å; F327-L341 HydrophobicContact CE2-CB 3.9Å; F327-L341 HydrophobicContact CE2-CD1 3.88Å; F327-L341 HydrophobicContact CE2-CD2 4.16Å; F327-L341 HydrophobicContact CE2-CG 4.2Å; I330-L341 HydrophobicContact CG2-CD1 4.11Å; L336-L341 HydrophobicContact CD1-CD1 4.1Å; K337-L341 PolarHBondContact O-N 3.14Å; K337-L341 VanDerWaalsContact O-N 3.14Å; W338-L341 PolarHBondContact O-N 3.33Å; L341-E344 PolarHBondContact O-N 2.93Å; L341-L345 PolarHBondContact O-N 2.99Å; L341-F394 HydrophobicContact CD2-CE1 3.94Å; L341-F394 HydrophobicContact CD2-CZ 4.05Å; L341-F394 HydrophobicContact CG-CZ 4.47Å; L341-V398 HydrophobicContact CD1-CG1 4.1Å
342K83.8Confident79.2Confident75 Ų7562 Ų6233%0.32631%0.306SS..Hα-helixtrans-63.3-43.4169.7-170.8-172.1175.4-153.10111.6W338 C340 E344 L345 E346W338-K342 PolarHBondContact O-N 3.39Å; C340-K342 VanDerWaalsContact C-N 3.31Å; C340-K342 PolarHBondContact O-N 2.82Å; K342-E344 VanDerWaalsContact C-N 3.34Å; K342-L345 WeakPolarHBondContact O-CB 3.31Å; K342-L345 PolarHBondContact O-N 2.67Å; K342-L345 VanDerWaalsContact O-N 3.16Å; K342-E346 VanDerWaalsContact CE-OE1 3.24Å; K342-E346 WeakPolarHBondContact CE-OE1 3.36Å; K342-E346 IonicContact NZ-OE1 3.18Å; K342-E346 PolarHBondContact NZ-OE1 3.38Å; K342-E346 WeakPolarHBondContact O-CG 3.47Å; K342-E346 PolarHBondContact O-N 3.01Å
343K85.9Confident79.2Confident143 Ų14357.7 Ų57.762%0.62231%0.305SS*.Hα-helixtrans-62.5-40.9174.6-72.9178.1179.4-170.50112D339 C340 L345 E346 S347D339-K343 WeakPolarHBondContact O-CG 3.23Å; D339-K343 PolarHBondContact O-N 3.37Å; D339-K343 VanDerWaalsContact O-N 3.1Å; C340-K343 WeakPolarHBondContact O-CB 3.22Å; C340-K343 PolarHBondContact O-N 3.19Å; C340-K343 VanDerWaalsContact O-N 3.13Å; K343-L345 VanDerWaalsContact C-N 3.26Å; K343-L345 PolarHBondContact O-N 3.05Å; K343-E346 PolarHBondContact O-N 3.32Å; K343-S347 PolarHBondContact O-N 3.12Å
344E83.7Confident79.2Confident21 Ų2156.1 Ų56.110%0.09831%0.306CS..Hα-helixtrans-61.4-36.8173.9-62.4-63171.100111.3C340 L341 K342 S347 F348 F394 Y397 V398 R406C340-E344 WeakPolarHBondContact O-CG 3.45Å; C340-E344 PolarHBondContact O-N 2.9Å; L341-E344 PolarHBondContact O-N 2.93Å; K342-E344 VanDerWaalsContact C-N 3.34Å; E344-S347 PolarHBondContact O-N 3.07Å; E344-F348 VanDerWaalsContact O-CB 3.23Å; E344-F348 WeakPolarHBondContact O-CB 3.35Å; E344-F348 PolarHBondContact O-N 2.95Å; E344-F394 HydrophobicContact CB-CE2 4.16Å; E344-F394 HydrophobicContact CB-CZ 4.37Å; E344-Y397 HydrophobicContact CB-CE1 4.31Å; E344-Y397 PolarHBondContact OE2-OH 2.84Å; E344-V398 HydrophobicContact CB-CG2 4Å; E344-R406 IonicContact OE1-CZ 2.97Å; E344-R406 IonicContact OE1-NH2 3.92Å; E344-R406 PolarHBondContact OE1-NH2 2.85Å
345L86.9Confident79Confident0 Ų055.3 Ų55.30%030%0.303CS..Hα-helixtrans-65.9-40.6175-177.962.7000112.1L309 A313 L316 L318 L341 K342 K343 F348 A349 F394L309-L345 HydrophobicContact CD2-CD2 4.23Å; A313-L345 HydrophobicContact CB-CD1 4.3Å; A313-L345 HydrophobicContact CB-CD2 4.29Å; L316-L345 HydrophobicContact CD1-CD2 4.36Å; L316-L345 HydrophobicContact CD1-CG 3.97Å; L318-L345 HydrophobicContact CD1-CD1 4.15Å; L341-L345 PolarHBondContact O-N 2.99Å; K342-L345 WeakPolarHBondContact O-CB 3.31Å; K342-L345 PolarHBondContact O-N 2.67Å; K342-L345 VanDerWaalsContact O-N 3.16Å; K343-L345 VanDerWaalsContact C-N 3.26Å; K343-L345 PolarHBondContact O-N 3.05Å; L345-F348 PolarHBondContact O-N 3.24Å; L345-A349 VanDerWaalsContact O-CB 3.31Å; L345-A349 WeakPolarHBondContact O-CB 3.46Å; L345-A349 PolarHBondContact O-N 3.36Å; L345-F394 VanDerWaalsContact CA-CZ 3.49Å; L345-F394 HydrophobicContact CB-CE1 4.02Å; L345-F394 HydrophobicContact CB-CE2 3.87Å; L345-F394 HydrophobicContact CB-CZ 3.48Å; L345-F394 VanDerWaalsContact CB-CZ 3.48Å; L345-F394 HydrophobicContact CD1-CD1 3.8Å; L345-F394 HydrophobicContact CD1-CD2 4.04Å; L345-F394 HydrophobicContact CD1-CE1 3.79Å; L345-F394 HydrophobicContact CD1-CE2 4.03Å; L345-F394 HydrophobicContact CD1-CG 3.94Å; L345-F394 HydrophobicContact CD1-CZ 3.91Å; L345-F394 HydrophobicContact CG-CE1 4.39Å; L345-F394 HydrophobicContact CG-CZ 4.25Å
346E87.1Confident78.5Confident84 Ų8458.4 Ų58.439%0.39331%0.31SS..Hα-helixtrans-64.1-43.8175.5-70.3166.3-175.900111.1L316 K342 K343 A349 A350L316-E346 HydrophobicContact CD1-CG 4.1Å; K342-E346 VanDerWaalsContact CE-OE1 3.24Å; K342-E346 WeakPolarHBondContact CE-OE1 3.36Å; K342-E346 IonicContact NZ-OE1 3.18Å; K342-E346 PolarHBondContact NZ-OE1 3.38Å; K342-E346 WeakPolarHBondContact O-CG 3.47Å; K342-E346 PolarHBondContact O-N 3.01Å; K343-E346 PolarHBondContact O-N 3.32Å; E346-A349 PolarHBondContact O-N 2.96Å; E346-A350 PolarHBondContact O-N 2.85Å
347S83.3Confident78Confident47 Ų4760.2 Ų60.233%0.32933%0.33SS..Hα-helixtrans-61.8-49.1173.8173.40000111.5K343 E344 A349 A350 M351 Y397K343-S347 PolarHBondContact O-N 3.12Å; E344-S347 PolarHBondContact O-N 3.07Å; S347-A349 VanDerWaalsContact C-N 3.31Å; S347-A349 PolarHBondContact O-N 2.67Å; S347-A350 WeakPolarHBondContact O-CB 3.42Å; S347-A350 PolarHBondContact O-N 2.85Å; S347-A350 VanDerWaalsContact O-N 3.12Å; S347-M351 PolarHBondContact O-N 3.17Å; S347-M351 VanDerWaalsContact O-N 3.08Å; S347-Y397 PolarHBondContact OG-OH 2.99Å
348F85.6Confident77.8Confident0 Ų053 Ų530%030%0.298CS..Hα-helixtrans-57.9-42.5176.1-178.9-95.4000112.1L318 T322 E344 L345 A350 M351 A352 G358 I360 F394 Y397L318-F348 HydrophobicContact CD1-CD1 3.97Å; L318-F348 HydrophobicContact CD1-CE1 4.31Å; T322-F348 HydrophobicContact CG2-CD1 4.2Å; T322-F348 HydrophobicContact CG2-CE1 3.7Å; E344-F348 VanDerWaalsContact O-CB 3.23Å; E344-F348 WeakPolarHBondContact O-CB 3.35Å; E344-F348 PolarHBondContact O-N 2.95Å; L345-F348 PolarHBondContact O-N 3.24Å; F348-A350 VanDerWaalsContact C-N 3.34Å; F348-A350 PolarHBondContact O-N 3.47Å; F348-M351 PolarHBondContact O-N 3.34Å; F348-A352 HydrophobicContact CD1-CB 4.33Å; F348-A352 HydrophobicContact CE1-CB 3.98Å; F348-A352 HydrophobicContact CZ-CB 4.28Å; F348-A352 VanDerWaalsContact O-CB 3.28Å; F348-A352 WeakPolarHBondContact O-CB 3.47Å; F348-A352 PolarHBondContact O-N 3.34Å; F348-G358 VanDerWaalsContact CE1-O 3.23Å; F348-G358 WeakPolarHBondContact CE1-O 3.38Å; F348-G358 WeakPolarHBondContact CZ-O 3.24Å; F348-I360 HydrophobicContact CD2-CD1 3.81Å; F348-I360 HydrophobicContact CE2-CD1 3.45Å; F348-I360 VanDerWaalsContact CE2-CD1 3.45Å; F348-I360 HydrophobicContact CE2-CG1 3.85Å; F348-I360 HydrophobicContact CZ-CD1 4.27Å; F348-I360 HydrophobicContact CZ-CG1 4.2Å; F348-F394 HydrophobicContact CB-CD2 3.59Å; F348-F394 HydrophobicContact CB-CE2 3.95Å; F348-F394 HydrophobicContact CD1-CB 3.92Å; F348-F394 AromaticContact CD1-CD2 3.84Å; F348-F394 HydrophobicContact CD1-CD2 3.84Å; F348-F394 HydrophobicContact CD1-CG 4.22Å; F348-F394 HydrophobicContact CD2-CB 4.47Å; F348-F394 HydrophobicContact CD2-CD2 4.05Å; F348-F394 HydrophobicContact CE1-CB 3.81Å; F348-F394 HydrophobicContact CE2-CB 4.35Å; F348-F394 HydrophobicContact CG-CB 4.25Å; F348-F394 AromaticContact CG-CD2 3.55Å; F348-F394 HydrophobicContact CG-CD2 3.55Å; F348-F394 HydrophobicContact CG-CE2 4.4Å; F348-F394 HydrophobicContact CG-CG 4.32Å; F348-F394 HydrophobicContact CZ-CB 4.03Å; F348-Y397 HydrophobicContact CB-CD1 3.95Å; F348-Y397 HydrophobicContact CB-CE1 4.1Å; F348-Y397 AromaticContact CD2-CD1 3.76Å; F348-Y397 HydrophobicContact CD2-CD1 3.76Å; F348-Y397 HydrophobicContact CD2-CD2 4.13Å; F348-Y397 AromaticContact CD2-CG 3.54Å; F348-Y397 HydrophobicContact CD2-CG 3.54Å; F348-Y397 HydrophobicContact CE2-CG 4.22Å; F348-Y397 HydrophobicContact CG-CD1 4.26Å; F348-Y397 HydrophobicContact CG-CG 4.47Å
349A85.2Confident77.9Confident9 Ų953.9 Ų53.97%0.07431%0.306CS..Hα-helixtrans-63.8-38.117700000112.7L316 L318 L345 E346 S347 M351 A352 S353L316-A349 HydrophobicContact CB-CB 3.79Å; L316-A349 HydrophobicContact CD1-CB 3.88Å; L316-A349 HydrophobicContact CD2-CB 4.41Å; L316-A349 HydrophobicContact CG-CB 4.24Å; L318-A349 HydrophobicContact CD1-CB 3.62Å; L318-A349 HydrophobicContact CG-CB 4.09Å; L345-A349 VanDerWaalsContact O-CB 3.31Å; L345-A349 WeakPolarHBondContact O-CB 3.46Å; L345-A349 PolarHBondContact O-N 3.36Å; E346-A349 PolarHBondContact O-N 2.96Å; S347-A349 VanDerWaalsContact C-N 3.31Å; S347-A349 PolarHBondContact O-N 2.67Å; A349-M351 VanDerWaalsContact C-N 3.32Å; A349-M351 PolarHBondContact O-N 2.79Å; A349-A352 PolarHBondContact O-N 3.08Å; A349-S353 WeakPolarHBondContact O-CA 3.38Å; A349-S353 WeakPolarHBondContact O-CB 3.24Å; A349-S353 PolarHBondContact O-N 3.01Å
350A81Confident78.1Confident68 Ų6848.7 Ų48.756%0.56228%0.278SS*.Hα-helixtrans-61.9-42.8174.900000111.1E346 S347 F348 S353E346-A350 PolarHBondContact O-N 2.85Å; S347-A350 WeakPolarHBondContact O-CB 3.42Å; S347-A350 PolarHBondContact O-N 2.85Å; S347-A350 VanDerWaalsContact O-N 3.12Å; F348-A350 VanDerWaalsContact C-N 3.34Å; F348-A350 PolarHBondContact O-N 3.47Å; A350-S353 WeakPolarHBondContact O-CB 3.48Å; A350-S353 PolarHBondContact O-OG 2.89Å
351M77.2Confident78.5Confident25 Ų2548.7 Ų48.712%0.12328%0.277CS..Hα-helixtrans-68.4-43.7176.7-76.1-175.2-73.200113.4S347 F348 A349 S353 I360 I368 Y397S347-M351 PolarHBondContact O-N 3.17Å; S347-M351 VanDerWaalsContact O-N 3.08Å; F348-M351 PolarHBondContact O-N 3.34Å; A349-M351 VanDerWaalsContact C-N 3.32Å; A349-M351 PolarHBondContact O-N 2.79Å; M351-S353 VanDerWaalsContact C-N 3.28Å; M351-S353 PolarHBondContact O-N 3.28Å; M351-I360 HydrophobicContact CB-CD1 4.32Å; M351-I368 HydrophobicContact CB-CD1 3.71Å; M351-I368 HydrophobicContact CB-CG1 4.26Å; M351-I368 HydrophobicContact CG-CD1 4.03Å; M351-I368 HydrophobicContact CG-CG1 4.21Å; M351-I368 HydrophobicContact CG-CG2 4Å; M351-I368 HydrophobicContact SD-CD1 4.2Å; M351-I368 HydrophobicContact SD-CG2 3.64Å; M351-Y397 HydrophobicContact CE-CD2 4.04Å; M351-Y397 HydrophobicContact CE-CE1 4.18Å; M351-Y397 HydrophobicContact CE-CE2 3.21Å; M351-Y397 WeakPolarHBondContact CE-OH 3.24Å; M351-Y397 HydrophobicContact SD-CE2 4.25Å
352A75.4Confident78.8Confident1 Ų150.3 Ų50.31%0.00829%0.285CS..Hα-helixtrans-84.41.9-177.600000113.3L318 F348 A349 S354 C355 I360L318-A352 HydrophobicContact CD2-CB 4.02Å; F348-A352 HydrophobicContact CD1-CB 4.33Å; F348-A352 HydrophobicContact CE1-CB 3.98Å; F348-A352 HydrophobicContact CZ-CB 4.28Å; F348-A352 VanDerWaalsContact O-CB 3.28Å; F348-A352 WeakPolarHBondContact O-CB 3.47Å; F348-A352 PolarHBondContact O-N 3.34Å; A349-A352 PolarHBondContact O-N 3.08Å; A352-S354 PolarHBondContact O-N 3.44Å; A352-C355 HydrophobicContact CB-CB 4.44Å; A352-C355 WeakPolarHBondContact O-CA 3.24Å; A352-C355 VanDerWaalsContact O-CB 3.27Å; A352-C355 WeakPolarHBondContact O-CB 3.21Å; A352-C355 PolarHBondContact O-N 2.71Å; A352-I360 HydrophobicContact CB-CG1 4.29Å
353S68Low78.9Confident95 Ų9551.9 Ų51.966%0.66429%0.293SS*.THydrogen-bonded Turntrans-61.1-28.1-177.161.20000113.8A349 A350 M351A349-S353 WeakPolarHBondContact O-CA 3.38Å; A349-S353 WeakPolarHBondContact O-CB 3.24Å; A349-S353 PolarHBondContact O-N 3.01Å; A350-S353 WeakPolarHBondContact O-CB 3.48Å; A350-S353 PolarHBondContact O-OG 2.89Å; M351-S353 VanDerWaalsContact C-N 3.28Å; M351-S353 PolarHBondContact O-N 3.28Å
354S65.9Low78.9Confident62 Ų6245.8 Ų45.843%0.43427%0.267SS..THydrogen-bonded Turntrans-81.3-13.6172.849.70000113.4A352 E364A352-S354 PolarHBondContact O-N 3.44Å; S354-E364 PolarHBondContact OG-OE1 3.12Å; S354-E364 PolarHBondContact OG-OE2 2.83Å
355C64.3Low78.9Confident23 Ų2345.2 Ų45.216%0.15526%0.264CS..SBendtrans-91.8123.6-172.9-63.70000111.6A352 G357 N359 E364A352-C355 HydrophobicContact CB-CB 4.44Å; A352-C355 WeakPolarHBondContact O-CA 3.24Å; A352-C355 VanDerWaalsContact O-CB 3.27Å; A352-C355 WeakPolarHBondContact O-CB 3.21Å; A352-C355 PolarHBondContact O-N 2.71Å; C355-G357 PolarHBondContact O-N 2.87Å; C355-N359 VanDerWaalsContact CB-O 3.3Å; C355-N359 WeakPolarHBondContact CB-O 3.19Å; C355-N359 PolarHBondContact SG-O 3.23Å; C355-E364 WeakPolarHBondContact SG-CG 3.45Å
356K58.2Low78.6Confident216 Ų21645.4 Ų45.494%0.93927%0.266SS*.THydrogen-bonded Turntrans-68.2107.3168.3-71.4-175.9-179.81780108.8
357G64.3Low78.4Confident44 Ų4448.1 Ų48.145%0.45427%0.273SS..THydrogen-bonded Turntrans10114.9172.300000115.8P319 C355 N359P319-G357 VanDerWaalsContact CG-C 3.49Å; P319-G357 WeakPolarHBondContact CG-O 3.24Å; C355-G357 PolarHBondContact O-N 2.87Å; G357-N359 VanDerWaalsContact C-N 3.27Å; G357-N359 PolarHBondContact O-N 2.77Å
358G73.9Confident78.1Confident1 Ų147.2 Ų47.21%0.0126%0.264CS..SBendtrans6917.2166.100000116.6F348F348-G358 VanDerWaalsContact CE1-O 3.23Å; F348-G358 WeakPolarHBondContact CE1-O 3.38Å; F348-G358 WeakPolarHBondContact CZ-O 3.24Å
359N83.3Confident77.6Confident56 Ų5647.2 Ų47.230%0.29926%0.264SS..  trans-116.6143.9171.3-63.73.1000109.5C355 G357 T391C355-N359 VanDerWaalsContact CB-O 3.3Å; C355-N359 WeakPolarHBondContact CB-O 3.19Å; C355-N359 PolarHBondContact SG-O 3.23Å; G357-N359 VanDerWaalsContact C-N 3.27Å; G357-N359 PolarHBondContact O-N 2.77Å; N359-T391 HydrophobicContact CB-CG2 4.36Å; N359-T391 PolarHBondContact ND2-OG1 3.08Å
360I86.5Confident77Confident2 Ų251 Ų511%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-94.3119-178.2-58.6173.7000108.9F348 M351 A352 E364 F365 I368 T391 I392F348-I360 HydrophobicContact CD2-CD1 3.81Å; F348-I360 HydrophobicContact CE2-CD1 3.45Å; F348-I360 VanDerWaalsContact CE2-CD1 3.45Å; F348-I360 HydrophobicContact CE2-CG1 3.85Å; F348-I360 HydrophobicContact CZ-CD1 4.27Å; F348-I360 HydrophobicContact CZ-CG1 4.2Å; M351-I360 HydrophobicContact CB-CD1 4.32Å; A352-I360 HydrophobicContact CB-CG1 4.29Å; I360-E364 HydrophobicContact CG2-CB 3.96Å; I360-E364 HydrophobicContact CG2-CG 4.28Å; I360-F365 HydrophobicContact CG2-CB 3.94Å; I360-F365 HydrophobicContact CG2-CD2 4.41Å; I360-I368 HydrophobicContact CD1-CD1 4.21Å; I360-I368 HydrophobicContact CG2-CD1 3.92Å; I360-T391 CarbonylContact O-C 3.55Å; I360-T391 WeakPolarHBondContact O-CA 3.43Å; I360-I392 HydrophobicContact CB-CB 4.2Å; I360-I392 PolarHBondContact N-O 2.98Å; I360-I392 PolarHBondContact O-N 2.93Å
361T89.6Confident76.5Confident51 Ų5148.2 Ų48.231%0.31325%0.254SS..EExtended strand (participates in β ladder)trans-83.7168.8173.475.20000111.1E363 E364 F365 T391T361-E363 VanDerWaalsContact C-N 3.26Å; T361-E363 VanDerWaalsContact CB-OE2 3.27Å; T361-E363 WeakPolarHBondContact CB-OE2 3.3Å; T361-E363 PolarHBondContact O-N 2.82Å; T361-E363 PolarHBondContact OG1-N 2.53Å; T361-E363 PolarHBondContact OG1-OE2 3.43Å; T361-E364 PolarHBondContact O-N 2.87Å; T361-E364 VanDerWaalsContact O-N 3.1Å; T361-E364 PolarHBondContact OG1-N 3.08Å; T361-F365 WeakPolarHBondContact O-CB 3.45Å; T361-F365 PolarHBondContact O-N 2.85Å; T361-T391 HydrophobicContact CG2-CG2 4.5Å
362I85.7Confident76.2Confident34 Ų3449.8 Ų49.817%0.17427%0.267CS..Hα-helixtrans-60.4-35.5177.5-168.8170.9000112.6E364 F365 A366 V373 A378 F381I362-E364 VanDerWaalsContact C-N 3.32Å; I362-F365 PolarHBondContact O-N 2.8Å; I362-A366 VanDerWaalsContact O-CB 3.24Å; I362-A366 WeakPolarHBondContact O-CB 3.2Å; I362-A366 PolarHBondContact O-N 2.98Å; I362-V373 HydrophobicContact CD1-CG1 4.12Å; I362-V373 HydrophobicContact CG1-CG1 4.38Å; I362-A378 HydrophobicContact CD1-CB 3.77Å; I362-F381 HydrophobicContact CB-CD1 4.4Å; I362-F381 HydrophobicContact CB-CD2 3.98Å; I362-F381 HydrophobicContact CB-CE1 4.47Å; I362-F381 HydrophobicContact CB-CE2 4.05Å; I362-F381 HydrophobicContact CB-CG 4.16Å; I362-F381 HydrophobicContact CB-CZ 4.29Å; I362-F381 HydrophobicContact CD1-CB 4.36Å; I362-F381 HydrophobicContact CD1-CG 4.4Å; I362-F381 HydrophobicContact CG1-CB 4.29Å; I362-F381 HydrophobicContact CG1-CD2 4.13Å; I362-F381 HydrophobicContact CG1-CG 4.08Å
363E86.9Confident76.2Confident107 Ų10753.6 Ų53.650%0.529%0.29SS..Hα-helixtrans-68.2-34.3176.7-57.375.8-164.100111.7T361 R367T361-E363 VanDerWaalsContact C-N 3.26Å; T361-E363 VanDerWaalsContact CB-OE2 3.27Å; T361-E363 WeakPolarHBondContact CB-OE2 3.3Å; T361-E363 PolarHBondContact O-N 2.82Å; T361-E363 PolarHBondContact OG1-N 2.53Å; T361-E363 PolarHBondContact OG1-OE2 3.43Å; E363-R367 PolarHBondContact O-N 2.92Å; E363-R367 VanDerWaalsContact O-N 3.16Å
364E85.4Confident76.4Confident15 Ų1549.8 Ų49.87%0.0726%0.262CS..Hα-helixtrans-72.9-46.3174.2-164.270.4-149.600111.2S354 C355 I360 T361 I362 A366 R367 I368S354-E364 PolarHBondContact OG-OE1 3.12Å; S354-E364 PolarHBondContact OG-OE2 2.83Å; C355-E364 WeakPolarHBondContact SG-CG 3.45Å; I360-E364 HydrophobicContact CG2-CB 3.96Å; I360-E364 HydrophobicContact CG2-CG 4.28Å; T361-E364 PolarHBondContact O-N 2.87Å; T361-E364 VanDerWaalsContact O-N 3.1Å; T361-E364 PolarHBondContact OG1-N 3.08Å; I362-E364 VanDerWaalsContact C-N 3.32Å; E364-A366 PolarHBondContact O-N 2.74Å; E364-R367 CarbonylContact O-C 3.55Å; E364-R367 WeakPolarHBondContact O-CA 3.27Å; E364-R367 WeakPolarHBondContact O-CB 3.33Å; E364-R367 PolarHBondContact O-N 2.96Å; E364-R367 IonicContact OE1-CZ 2.72Å; E364-R367 IonicContact OE1-NH1 2.63Å; E364-R367 PolarHBondContact OE1-NH1 3.01Å; E364-R367 IonicContact OE2-CZ 2.84Å; E364-R367 IonicContact OE2-NH1 3.45Å; E364-R367 PolarHBondContact OE2-NH1 3.15Å; E364-R367 IonicContact OE2-NH2 3.82Å; E364-R367 PolarHBondContact OE2-NH2 2.69Å; E364-I368 HydrophobicContact CG-CD1 3.84Å; E364-I368 HydrophobicContact CG-CG1 4.27Å; E364-I368 VanDerWaalsContact O-CG1 3.32Å; E364-I368 WeakPolarHBondContact O-CG1 3.36Å; E364-I368 PolarHBondContact O-N 2.99Å
365F84Confident76.6Confident9 Ų951.5 Ų51.54%0.03927%0.271CS..Hα-helixtrans-55.3-42.2176.3-169.8-112.9000111.1I360 T361 I362 I368 L369 L377 L380 F381 F384 I392I360-F365 HydrophobicContact CG2-CB 3.94Å; I360-F365 HydrophobicContact CG2-CD2 4.41Å; T361-F365 WeakPolarHBondContact O-CB 3.45Å; T361-F365 PolarHBondContact O-N 2.85Å; I362-F365 PolarHBondContact O-N 2.8Å; F365-I368 PolarHBondContact O-N 3.33Å; F365-L369 HydrophobicContact CD1-CD1 3.9Å; F365-L369 HydrophobicContact CD2-CD1 4.47Å; F365-L369 HydrophobicContact CE1-CD1 3.44Å; F365-L369 VanDerWaalsContact CE1-CD1 3.44Å; F365-L369 HydrophobicContact CE2-CD1 4.07Å; F365-L369 HydrophobicContact CG-CD1 4.39Å; F365-L369 HydrophobicContact CZ-CD1 3.55Å; F365-L369 HydrophobicContact CZ-CG 4.5Å; F365-L369 WeakPolarHBondContact O-CB 3.27Å; F365-L369 WeakPolarHBondContact O-CG 3.29Å; F365-L369 PolarHBondContact O-N 2.88Å; F365-L377 HydrophobicContact CD1-CD1 4.04Å; F365-L377 HydrophobicContact CD1-CG 4.35Å; F365-L377 HydrophobicContact CE1-CD1 4.07Å; F365-L380 HydrophobicContact CE1-CD2 3.98Å; F365-L380 HydrophobicContact CE1-CG 3.95Å; F365-L380 HydrophobicContact CZ-CD2 4.11Å; F365-L380 HydrophobicContact CZ-CG 4.09Å; F365-F381 HydrophobicContact CB-CD2 3.82Å; F365-F381 HydrophobicContact CB-CE2 4.15Å; F365-F381 HydrophobicContact CD1-CB 4.16Å; F365-F381 AromaticContact CD1-CD2 3.85Å; F365-F381 HydrophobicContact CD1-CD2 3.85Å; F365-F381 HydrophobicContact CE1-CB 4.36Å; F365-F381 AromaticContact CG-CD2 3.89Å; F365-F381 HydrophobicContact CG-CD2 3.89Å; F365-F384 HydrophobicContact CZ-CD2 4.3Å; F365-F384 HydrophobicContact CZ-CE2 4.33Å; F365-I392 HydrophobicContact CD2-CD1 3.91Å; F365-I392 HydrophobicContact CE2-CD1 4.16Å; F365-I392 HydrophobicContact CG-CD1 4.28Å
366A80.9Confident76.6Confident4 Ų451.7 Ų51.73%0.03328%0.275CS..Hα-helixtrans-58.1-47171.400000112.4I362 E364 L369 K370 L371 V373 L377I362-A366 VanDerWaalsContact O-CB 3.24Å; I362-A366 WeakPolarHBondContact O-CB 3.2Å; I362-A366 PolarHBondContact O-N 2.98Å; E364-A366 PolarHBondContact O-N 2.74Å; A366-L369 CarbonylContact O-C 3.59Å; A366-L369 PolarHBondContact O-N 3.45Å; A366-K370 CarbonylContact O-C 3.35Å; A366-K370 WeakPolarHBondContact O-CA 3.27Å; A366-K370 PolarHBondContact O-N 3.02Å; A366-L371 CarbonylContact C-O 3.52Å; A366-L371 VanDerWaalsContact CB-O 3.28Å; A366-L371 WeakPolarHBondContact CB-O 3.38Å; A366-L371 PolarHBondContact O-N 2.85Å; A366-V373 HydrophobicContact CB-CG2 3.61Å; A366-L377 HydrophobicContact CB-CD2 3.39Å
367R82.1Confident77.2Confident141 Ų14141.4 Ų41.453%0.53223%0.23SC..Hα-helixtrans-66-41.8-180-163.5-173-49.8132.821.8112.6E363 E364 L369 K370E363-R367 PolarHBondContact O-N 2.92Å; E363-R367 VanDerWaalsContact O-N 3.16Å; E364-R367 CarbonylContact O-C 3.55Å; E364-R367 WeakPolarHBondContact O-CA 3.27Å; E364-R367 WeakPolarHBondContact O-CB 3.33Å; E364-R367 PolarHBondContact O-N 2.96Å; E364-R367 IonicContact OE1-CZ 2.72Å; E364-R367 IonicContact OE1-NH1 2.63Å; E364-R367 PolarHBondContact OE1-NH1 3.01Å; E364-R367 IonicContact OE2-CZ 2.84Å; E364-R367 IonicContact OE2-NH1 3.45Å; E364-R367 PolarHBondContact OE2-NH1 3.15Å; E364-R367 IonicContact OE2-NH2 3.82Å; E364-R367 PolarHBondContact OE2-NH2 2.69Å; R367-L369 VanDerWaalsContact C-N 3.34Å; R367-K370 PolarHBondContact O-N 2.69Å; R367-K370 VanDerWaalsContact O-N 3.08Å
368I77.7Confident77.7Confident29 Ų2941.1 Ų41.115%0.14922%0.223CC..Hα-helixtrans-59.7-47.9176.1-70160.5000109.6M351 I360 E364 F365 K370 Y479M351-I368 HydrophobicContact CB-CD1 3.71Å; M351-I368 HydrophobicContact CB-CG1 4.26Å; M351-I368 HydrophobicContact CG-CD1 4.03Å; M351-I368 HydrophobicContact CG-CG1 4.21Å; M351-I368 HydrophobicContact CG-CG2 4Å; M351-I368 HydrophobicContact SD-CD1 4.2Å; M351-I368 HydrophobicContact SD-CG2 3.64Å; I360-I368 HydrophobicContact CD1-CD1 4.21Å; I360-I368 HydrophobicContact CG2-CD1 3.92Å; E364-I368 HydrophobicContact CG-CD1 3.84Å; E364-I368 HydrophobicContact CG-CG1 4.27Å; E364-I368 VanDerWaalsContact O-CG1 3.32Å; E364-I368 WeakPolarHBondContact O-CG1 3.36Å; E364-I368 PolarHBondContact O-N 2.99Å; F365-I368 PolarHBondContact O-N 3.33Å; I368-K370 PolarHBondContact O-N 3.01Å; I368-Y479 PolarHBondContact O-OH 3.24Å
369L74.3Confident77.6Confident0 Ų044.7 Ų44.70%024%0.24CC..THydrogen-bonded Turntrans-75-6177.9-65.1177.5000113.2F365 A366 R367 L371 L377 L380 E478 Y479 L482F365-L369 HydrophobicContact CD1-CD1 3.9Å; F365-L369 HydrophobicContact CD2-CD1 4.47Å; F365-L369 HydrophobicContact CE1-CD1 3.44Å; F365-L369 VanDerWaalsContact CE1-CD1 3.44Å; F365-L369 HydrophobicContact CE2-CD1 4.07Å; F365-L369 HydrophobicContact CG-CD1 4.39Å; F365-L369 HydrophobicContact CZ-CD1 3.55Å; F365-L369 HydrophobicContact CZ-CG 4.5Å; F365-L369 WeakPolarHBondContact O-CB 3.27Å; F365-L369 WeakPolarHBondContact O-CG 3.29Å; F365-L369 PolarHBondContact O-N 2.88Å; A366-L369 CarbonylContact O-C 3.59Å; A366-L369 PolarHBondContact O-N 3.45Å; R367-L369 VanDerWaalsContact C-N 3.34Å; L369-L371 HydrophobicContact CB-CB 4.35Å; L369-L371 HydrophobicContact CB-CD1 4.04Å; L369-L371 HydrophobicContact CB-CG 3.94Å; L369-L371 WeakPolarHBondContact O-CG 3.3Å; L369-L371 PolarHBondContact O-N 2.87Å; L369-L377 HydrophobicContact CD1-CD1 3.74Å; L369-L380 HydrophobicContact CD1-CD2 4.12Å; L369-E478 HydrophobicContact CD2-CB 4.19Å; L369-E478 HydrophobicContact CD2-CG 3.66Å; L369-Y479 VanDerWaalsContact C-OH 3.23Å; L369-Y479 WeakPolarHBondContact CA-OH 3.26Å; L369-Y479 HydrophobicContact CB-CE1 4.16Å; L369-Y479 HydrophobicContact CD2-CD1 3.94Å; L369-Y479 HydrophobicContact CD2-CD2 3.93Å; L369-Y479 HydrophobicContact CD2-CE1 3.74Å; L369-Y479 HydrophobicContact CD2-CE2 3.75Å; L369-Y479 HydrophobicContact CD2-CG 4.05Å; L369-Y479 WeakPolarHBondContact O-CE1 3.36Å; L369-Y479 PolarHBondContact O-OH 2.85Å; L369-L482 HydrophobicContact CD1-CD1 4.39Å; L369-L482 HydrophobicContact CD2-CD1 4.47Å
370K73Confident77.1Confident88 Ų8842.6 Ų42.638%0.38323%0.228SC..THydrogen-bonded Turntrans5232.6-171.2-58.8-179.8-176.7172.50113A366 R367 I368 E455A366-K370 CarbonylContact O-C 3.35Å; A366-K370 WeakPolarHBondContact O-CA 3.27Å; A366-K370 PolarHBondContact O-N 3.02Å; R367-K370 PolarHBondContact O-N 2.69Å; R367-K370 VanDerWaalsContact O-N 3.08Å; I368-K370 PolarHBondContact O-N 3.01Å; K370-E455 WeakPolarHBondContact CE-OE2 3.42Å; K370-E455 IonicContact NZ-OE1 2.7Å; K370-E455 PolarHBondContact NZ-OE1 3.24Å; K370-E455 IonicContact NZ-OE2 2.71Å; K370-E455 PolarHBondContact NZ-OE2 3.42Å
371L70.5Confident76.8Confident9 Ų943 Ų435%0.04723%0.23CC..  trans-108.1146.9178-62.4-177.6000110.2A366 L369 L377 L442 M447 M449 L482A366-L371 CarbonylContact C-O 3.52Å; A366-L371 VanDerWaalsContact CB-O 3.28Å; A366-L371 WeakPolarHBondContact CB-O 3.38Å; A366-L371 PolarHBondContact O-N 2.85Å; L369-L371 HydrophobicContact CB-CB 4.35Å; L369-L371 HydrophobicContact CB-CD1 4.04Å; L369-L371 HydrophobicContact CB-CG 3.94Å; L369-L371 WeakPolarHBondContact O-CG 3.3Å; L369-L371 PolarHBondContact O-N 2.87Å; L371-L377 HydrophobicContact CB-CD1 4.32Å; L371-L377 HydrophobicContact CD1-CD1 4.01Å; L371-L442 HydrophobicContact CD1-CD1 3.85Å; L371-L442 HydrophobicContact CD1-CD2 4.43Å; L371-L442 HydrophobicContact CD2-CD1 3.87Å; L371-L442 HydrophobicContact CG-CD1 4.45Å; L371-M447 HydrophobicContact CD2-SD 3.83Å; L371-M449 HydrophobicContact CD2-CE 3.36Å; L371-M449 HydrophobicContact CD2-SD 3.62Å; L371-L482 HydrophobicContact CD1-CD1 3.72Å; L371-L482 HydrophobicContact CD1-CD2 4.1Å
372P69.8Low76.2Confident59 Ų5941.8 Ų41.838%0.38323%0.225SC..  trans-71.9148.6168.132.1-34.4000110.4N374 M447P372-N374 PolarHBondContact O-N 3.39Å; P372-N374 PolarHBondContact O-ND2 3.48Å; P372-M447 VanDerWaalsContact CD-CE 3.5Å; P372-M447 WeakPolarHBondContact CD-SD 3.29Å; P372-M447 HydrophobicContact CG-CE 3.33Å; P372-M447 HydrophobicContact CG-CG 3.74Å; P372-M447 HydrophobicContact CG-SD 3.88Å
373V76Confident75.6Confident81 Ų8142.2 Ų42.249%0.49123%0.228SC..  trans-62.3119.9172.4-178.20000109.3I362 A366I362-V373 HydrophobicContact CD1-CG1 4.12Å; I362-V373 HydrophobicContact CG1-CG1 4.38Å; A366-V373 HydrophobicContact CB-CG2 3.61Å
374N72.1Confident75.3Confident15 Ų1537.2 Ų37.28%0.0820%0.204CC..  trans-148.2170.1-179.268.660.7000110P372 A376 L377 A378 V444 M447P372-N374 PolarHBondContact O-N 3.39Å; P372-N374 PolarHBondContact O-ND2 3.48Å; N374-A376 VanDerWaalsContact C-N 3.34Å; N374-A376 PolarHBondContact O-N 2.83Å; N374-A376 WeakPolarHBondContact OD1-CA 3.32Å; N374-A376 WeakPolarHBondContact OD1-CB 3.42Å; N374-A376 PolarHBondContact OD1-N 2.71Å; N374-L377 PolarHBondContact O-N 2.75Å; N374-L377 PolarHBondContact OD1-N 2.75Å; N374-A378 PolarHBondContact O-N 3.38Å; N374-V444 HydrophobicContact CB-CG2 3.52Å; N374-M447 VanDerWaalsContact ND2-CE 3.28Å; N374-M447 WeakPolarHBondContact ND2-CE 3.48Å
375P70.8Confident75.1Confident98 Ų9837.1 Ų37.164%0.63620%0.204SC*.Hα-helixtrans-56.9-40.1-178.2-27.736.7000114.5A378 E379P375-A378 WeakPolarHBondContact O-CB 3.42Å; P375-A378 PolarHBondContact O-N 3.46Å; P375-E379 PolarHBondContact O-N 2.67Å
376A64.3Low74.6Confident27 Ų2738.8 Ų38.822%0.22321%0.21CC..Hα-helixtrans-68.1-40.2179.100000112.2N374 A378 E379 L380 L442N374-A376 VanDerWaalsContact C-N 3.34Å; N374-A376 PolarHBondContact O-N 2.83Å; N374-A376 WeakPolarHBondContact OD1-CA 3.32Å; N374-A376 WeakPolarHBondContact OD1-CB 3.42Å; N374-A376 PolarHBondContact OD1-N 2.71Å; A376-A378 VanDerWaalsContact C-N 3.3Å; A376-A378 PolarHBondContact O-N 3.24Å; A376-E379 PolarHBondContact O-N 3.45Å; A376-L380 PolarHBondContact O-N 2.97Å; A376-L442 HydrophobicContact CB-CB 4.38Å; A376-L442 HydrophobicContact CB-CD2 3.99Å; A376-L442 VanDerWaalsContact CB-O 3.27Å; A376-L442 WeakPolarHBondContact CB-O 3.47Å
377L70.9Confident74.1Confident0 Ų042.8 Ų42.80%023%0.231CC..Hα-helixtrans-63.3-38.8173.1-172.176.6000111.4F365 A366 L369 L371 N374 E379 L380 F381F365-L377 HydrophobicContact CD1-CD1 4.04Å; F365-L377 HydrophobicContact CD1-CG 4.35Å; F365-L377 HydrophobicContact CE1-CD1 4.07Å; A366-L377 HydrophobicContact CB-CD2 3.39Å; L369-L377 HydrophobicContact CD1-CD1 3.74Å; L371-L377 HydrophobicContact CB-CD1 4.32Å; L371-L377 HydrophobicContact CD1-CD1 4.01Å; N374-L377 PolarHBondContact O-N 2.75Å; N374-L377 PolarHBondContact OD1-N 2.75Å; L377-E379 VanDerWaalsContact C-N 3.32Å; L377-E379 PolarHBondContact O-N 2.87Å; L377-L380 PolarHBondContact O-N 3.16Å; L377-F381 WeakPolarHBondContact O-CB 3.47Å; L377-F381 PolarHBondContact O-N 2.84Å
378A75.1Confident74Confident38 Ų3838.4 Ų38.431%0.31423%0.23SC..Hα-helixtrans-64.8-35.817600000112.2I362 N374 P375 A376 A382I362-A378 HydrophobicContact CD1-CB 3.77Å; N374-A378 PolarHBondContact O-N 3.38Å; P375-A378 WeakPolarHBondContact O-CB 3.42Å; P375-A378 PolarHBondContact O-N 3.46Å; A376-A378 VanDerWaalsContact C-N 3.3Å; A376-A378 PolarHBondContact O-N 3.24Å; A378-A382 WeakPolarHBondContact O-CB 3.23Å; A378-A382 PolarHBondContact O-N 2.78Å
379E70.1Confident74.2Confident76 Ų7641.4 Ų41.436%0.35525%0.246SC..Hα-helixtrans-66.6-44.9172.4-70.2-164155.500112V6 P375 A376 L377 F381 A382 L383V6-E379 PolarHBondContact N-OE1 3.3Å; P375-E379 PolarHBondContact O-N 2.67Å; A376-E379 PolarHBondContact O-N 3.45Å; L377-E379 VanDerWaalsContact C-N 3.32Å; L377-E379 PolarHBondContact O-N 2.87Å; E379-F381 VanDerWaalsContact C-N 3.35Å; E379-F381 PolarHBondContact O-N 2.94Å; E379-A382 PolarHBondContact O-N 3.04Å; E379-L383 PolarHBondContact O-N 2.7Å
380L73.5Confident74.7Confident11 Ų1143.2 Ų43.26%0.05827%0.265CS..Hα-helixtrans-60.2-44.9174.7178.760.7000111.4F365 L369 A376 L377 A382 L383 F384 K481 L482F365-L380 HydrophobicContact CE1-CD2 3.98Å; F365-L380 HydrophobicContact CE1-CG 3.95Å; F365-L380 HydrophobicContact CZ-CD2 4.11Å; F365-L380 HydrophobicContact CZ-CG 4.09Å; L369-L380 HydrophobicContact CD1-CD2 4.12Å; A376-L380 PolarHBondContact O-N 2.97Å; L377-L380 PolarHBondContact O-N 3.16Å; L380-A382 VanDerWaalsContact C-N 3.3Å; L380-A382 PolarHBondContact O-N 3.32Å; L380-L383 HydrophobicContact CD1-CD1 4.27Å; L380-L383 VanDerWaalsContact O-CB 3.31Å; L380-L383 WeakPolarHBondContact O-CB 3.25Å; L380-L383 PolarHBondContact O-N 3Å; L380-F384 HydrophobicContact CD1-CE2 4.17Å; L380-K481 HydrophobicContact CD1-CB 4.14Å; L380-K481 HydrophobicContact CD1-CG 3.93Å; L380-L482 HydrophobicContact CD2-CD2 3.64Å; L380-L482 HydrophobicContact CD2-CG 3.86Å
381F80.3Confident75.4Confident11 Ų1140.3 Ų40.35%0.04825%0.254CS..Hα-helixtrans-56.3-44.8174.9-176.8-88.9000111.1I362 F365 L377 E379 L383 F384 D385 G390 I392I362-F381 HydrophobicContact CB-CD1 4.4Å; I362-F381 HydrophobicContact CB-CD2 3.98Å; I362-F381 HydrophobicContact CB-CE1 4.47Å; I362-F381 HydrophobicContact CB-CE2 4.05Å; I362-F381 HydrophobicContact CB-CG 4.16Å; I362-F381 HydrophobicContact CB-CZ 4.29Å; I362-F381 HydrophobicContact CD1-CB 4.36Å; I362-F381 HydrophobicContact CD1-CG 4.4Å; I362-F381 HydrophobicContact CG1-CB 4.29Å; I362-F381 HydrophobicContact CG1-CD2 4.13Å; I362-F381 HydrophobicContact CG1-CG 4.08Å; F365-F381 HydrophobicContact CB-CD2 3.82Å; F365-F381 HydrophobicContact CB-CE2 4.15Å; F365-F381 HydrophobicContact CD1-CB 4.16Å; F365-F381 AromaticContact CD1-CD2 3.85Å; F365-F381 HydrophobicContact CD1-CD2 3.85Å; F365-F381 HydrophobicContact CE1-CB 4.36Å; F365-F381 AromaticContact CG-CD2 3.89Å; F365-F381 HydrophobicContact CG-CD2 3.89Å; L377-F381 WeakPolarHBondContact O-CB 3.47Å; L377-F381 PolarHBondContact O-N 2.84Å; E379-F381 VanDerWaalsContact C-N 3.35Å; E379-F381 PolarHBondContact O-N 2.94Å; F381-L383 PolarHBondContact O-N 2.86Å; F381-L383 VanDerWaalsContact O-N 3.15Å; F381-F384 PolarHBondContact O-N 3.33Å; F381-D385 HydrophobicContact CD1-CB 4.1Å; F381-D385 HydrophobicContact CE1-CB 3.79Å; F381-D385 HydrophobicContact CZ-CB 4.48Å; F381-D385 PolarHBondContact O-N 2.82Å; F381-G390 WeakPolarHBondContact CZ-O 3.16Å; F381-I392 HydrophobicContact CD2-CD1 3.51Å; F381-I392 HydrophobicContact CD2-CG1 4.12Å; F381-I392 HydrophobicContact CE2-CD1 3.42Å; F381-I392 VanDerWaalsContact CE2-CD1 3.42Å; F381-I392 HydrophobicContact CE2-CG1 3.62Å; F381-I392 HydrophobicContact CG-CD1 4.33Å; F381-I392 HydrophobicContact CZ-CD1 4.19Å; F381-I392 HydrophobicContact CZ-CG1 3.88Å
382A77.2Confident76.1Confident26 Ų2639.9 Ų39.922%0.21525%0.252CS..Hα-helixtrans-67.8-11.1178.200000115R11 A378 E379 L380R11-A382 PolarHBondContact NH2-O 3.38Å; A378-A382 WeakPolarHBondContact O-CB 3.23Å; A378-A382 PolarHBondContact O-N 2.78Å; E379-A382 PolarHBondContact O-N 3.04Å; L380-A382 VanDerWaalsContact C-N 3.3Å; L380-A382 PolarHBondContact O-N 3.32Å
383L73Confident76.8Confident43 Ų4339.1 Ų39.123%0.22525%0.245CC..Hα-helixtrans-80-32.2169.1-61.3-178.3000112L9 E379 L380 F381 L404L9-L383 HydrophobicContact CD1-CD2 4Å; E379-L383 PolarHBondContact O-N 2.7Å; L380-L383 HydrophobicContact CD1-CD1 4.27Å; L380-L383 VanDerWaalsContact O-CB 3.31Å; L380-L383 WeakPolarHBondContact O-CB 3.25Å; L380-L383 PolarHBondContact O-N 3Å; F381-L383 PolarHBondContact O-N 2.86Å; F381-L383 VanDerWaalsContact O-N 3.15Å; L383-L404 HydrophobicContact CB-CD1 3.61Å; L383-L404 HydrophobicContact CD1-CD1 4.44Å
384F79.6Confident77.3Confident1 Ų135.3 Ų35.30%0.00422%0.222CC..Hα-helixtrans-81.3-47.6174.1-79.2-104.5000111.1F365 L380 F381 R386 I392 E396 V401 L404F365-F384 HydrophobicContact CZ-CD2 4.3Å; F365-F384 HydrophobicContact CZ-CE2 4.33Å; L380-F384 HydrophobicContact CD1-CE2 4.17Å; F381-F384 PolarHBondContact O-N 3.33Å; F384-R386 WeakPolarHBondContact O-CG 3.26Å; F384-R386 PolarHBondContact O-N 2.93Å; F384-I392 HydrophobicContact CB-CD1 3.46Å; F384-I392 VanDerWaalsContact CB-CD1 3.46Å; F384-I392 HydrophobicContact CB-CG1 3.75Å; F384-I392 HydrophobicContact CB-CG2 4.22Å; F384-I392 HydrophobicContact CD1-CG2 4.41Å; F384-I392 HydrophobicContact CG-CD1 4.14Å; F384-E396 WeakPolarHBondContact O-CB 3.34Å; F384-V401 HydrophobicContact CE1-CG2 4.26Å; F384-L404 HydrophobicContact CD2-CD1 3.95Å; F384-L404 HydrophobicContact CE2-CD1 3.85Å; F384-L404 HydrophobicContact CZ-CD1 4.44Å
385D82.9Confident77.7Confident13 Ų1335 Ų357%0.0722%0.22CC..  trans-70.690.8175.6174.69.3000110.6R11 F381 G388 D389 G390 I392R11-D385 PolarHBondContact NH2-O 3.39Å; F381-D385 HydrophobicContact CD1-CB 4.1Å; F381-D385 HydrophobicContact CE1-CB 3.79Å; F381-D385 HydrophobicContact CZ-CB 4.48Å; F381-D385 PolarHBondContact O-N 2.82Å; D385-G388 WeakPolarHBondContact OD1-CA 3.03Å; D385-G388 PolarHBondContact OD1-N 2.76Å; D385-G388 WeakPolarHBondContact OD2-CA 3.38Å; D385-D389 PolarHBondContact OD1-N 3.25Å; D385-G390 WeakPolarHBondContact OD2-CA 3.3Å; D385-G390 PolarHBondContact OD2-N 2.75Å; D385-G390 VanDerWaalsContact OD2-N 3.13Å; D385-I392 HydrophobicContact CB-CG1 4.49Å
386R71.6Confident78.2Confident44 Ų4430.8 Ų30.817%0.16619%0.191CC..SBendtrans-85.4-33.9-170.8-67.1-169.571.5111.74.9111.9R11 F384 E396R11-R386 PolarHBondContact NH1-O 2.85Å; F384-R386 WeakPolarHBondContact O-CG 3.26Å; F384-R386 PolarHBondContact O-N 2.93Å; R386-E396 HydrophobicContact CB-CG 4.48Å; R386-E396 PolarHBondContact N-OE1 3.01Å
387D72.2Confident79.2Confident88 Ų8829.9 Ų29.947%0.47118%0.182SC..SBendtrans-89-14178.872.46.5000113.2L16 D389 E396L16-D387 HydrophobicContact CD2-CB 3.89Å; D387-D389 WeakPolarHBondContact OD1-CB 3.04Å; D387-D389 PolarHBondContact OD1-N 2.9Å; D387-E396 PolarHBondContact N-OE1 2.96Å
388G78.8Confident79.6Confident49 Ų4929.9 Ų29.951%0.50518%0.182SC..  trans79.722.1176.200000113.1D385 G390D385-G388 WeakPolarHBondContact OD1-CA 3.03Å; D385-G388 PolarHBondContact OD1-N 2.76Å; D385-G388 WeakPolarHBondContact OD2-CA 3.38Å; G388-G390 PolarHBondContact O-N 2.59Å
389D81.7Confident79.6Confident92 Ų9228.3 Ų28.349%0.49217%0.169SC..SBendtrans-75.9-5.5179.186.9-4.6000113.4D385 D387 T391D385-D389 PolarHBondContact OD1-N 3.25Å; D387-D389 WeakPolarHBondContact OD1-CB 3.04Å; D387-D389 PolarHBondContact OD1-N 2.9Å; D389-T391 VanDerWaalsContact C-N 3.33Å; D389-T391 WeakPolarHBondContact OD1-CA 3.35Å; D389-T391 WeakPolarHBondContact OD1-CB 3.32Å; D389-T391 PolarHBondContact OD1-N 3.47Å; D389-T391 PolarHBondContact OD1-OG1 3.45Å; D389-T391 PolarHBondContact OD2-OG1 3.23Å
390G84.9Confident79.8Confident38 Ų3824.8 Ų24.839%0.39215%0.153SC..SBendtrans84.38.5178.300000113.6F381 D385 G388F381-G390 WeakPolarHBondContact CZ-O 3.16Å; D385-G390 WeakPolarHBondContact OD2-CA 3.3Å; D385-G390 PolarHBondContact OD2-N 2.75Å; D385-G390 VanDerWaalsContact OD2-N 3.13Å; G388-G390 PolarHBondContact O-N 2.59Å
391T87.3Confident80Confident27 Ų2724.3 Ų24.317%0.16615%0.15CC..EExtended strand (participates in β ladder)trans-129.1165.1174.972.20000110.7N359 I360 T361 D389N359-T391 HydrophobicContact CB-CG2 4.36Å; N359-T391 PolarHBondContact ND2-OG1 3.08Å; I360-T391 CarbonylContact O-C 3.55Å; I360-T391 WeakPolarHBondContact O-CA 3.43Å; T361-T391 HydrophobicContact CG2-CG2 4.5Å; D389-T391 VanDerWaalsContact C-N 3.33Å; D389-T391 WeakPolarHBondContact OD1-CA 3.35Å; D389-T391 WeakPolarHBondContact OD1-CB 3.32Å; D389-T391 PolarHBondContact OD1-N 3.47Å; D389-T391 PolarHBondContact OD1-OG1 3.45Å; D389-T391 PolarHBondContact OD2-OG1 3.23Å
392I85.6Confident79.6Confident1 Ų124.5 Ų24.51%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-114.5112.9171.3-60.6165.1000107.4I360 F365 F381 F384 D385 E396I360-I392 HydrophobicContact CB-CB 4.2Å; I360-I392 PolarHBondContact N-O 2.98Å; I360-I392 PolarHBondContact O-N 2.93Å; F365-I392 HydrophobicContact CD2-CD1 3.91Å; F365-I392 HydrophobicContact CE2-CD1 4.16Å; F365-I392 HydrophobicContact CG-CD1 4.28Å; F381-I392 HydrophobicContact CD2-CD1 3.51Å; F381-I392 HydrophobicContact CD2-CG1 4.12Å; F381-I392 HydrophobicContact CE2-CD1 3.42Å; F381-I392 VanDerWaalsContact CE2-CD1 3.42Å; F381-I392 HydrophobicContact CE2-CG1 3.62Å; F381-I392 HydrophobicContact CG-CD1 4.33Å; F381-I392 HydrophobicContact CZ-CD1 4.19Å; F381-I392 HydrophobicContact CZ-CG1 3.88Å; F384-I392 HydrophobicContact CB-CD1 3.46Å; F384-I392 VanDerWaalsContact CB-CD1 3.46Å; F384-I392 HydrophobicContact CB-CG1 3.75Å; F384-I392 HydrophobicContact CB-CG2 4.22Å; F384-I392 HydrophobicContact CD1-CG2 4.41Å; F384-I392 HydrophobicContact CG-CD1 4.14Å; D385-I392 HydrophobicContact CB-CG1 4.49Å; I392-E396 WeakPolarHBondContact CA-OE2 3.32Å; I392-E396 HydrophobicContact CG2-CB 3.92Å
393D85.4Confident79.2Confident42 Ų4226.8 Ų26.823%0.22516%0.159CC..  trans-80.1172.9171.780.321.7000111.8R395 E396 Y397D393-R395 VanDerWaalsContact C-N 3.28Å; D393-R395 PolarHBondContact O-N 2.9Å; D393-R395 VanDerWaalsContact OD1-CA 3.29Å; D393-R395 WeakPolarHBondContact OD1-CA 3.34Å; D393-R395 VanDerWaalsContact OD1-CB 3.25Å; D393-R395 WeakPolarHBondContact OD1-CB 3.26Å; D393-R395 PolarHBondContact OD1-N 3.25Å; D393-E396 PolarHBondContact N-OE2 3.23Å; D393-E396 PolarHBondContact O-N 3.4Å; D393-E396 WeakPolarHBondContact OD1-CB 3.5Å; D393-E396 WeakPolarHBondContact OD1-CG 3.34Å; D393-E396 PolarHBondContact OD1-N 3.07Å; D393-Y397 WeakPolarHBondContact O-CB 3.22Å; D393-Y397 PolarHBondContact O-N 3.13Å
394F85.3Confident78.8Confident1 Ų126 Ų260%0.00416%0.155CC..Hα-helixtrans-63.6-33.7-179.7175-122.8000113.2T322 V325 L341 E344 L345 F348 Y397 V398T322-F394 HydrophobicContact CG2-CB 3.36Å; T322-F394 HydrophobicContact CG2-CG 4.18Å; T322-F394 WeakPolarHBondContact O-CD1 3.48Å; V325-F394 HydrophobicContact CG1-CD1 3.53Å; V325-F394 HydrophobicContact CG1-CE1 4.09Å; V325-F394 HydrophobicContact CG1-CG 4.45Å; L341-F394 HydrophobicContact CD2-CE1 3.94Å; L341-F394 HydrophobicContact CD2-CZ 4.05Å; L341-F394 HydrophobicContact CG-CZ 4.47Å; E344-F394 HydrophobicContact CB-CE2 4.16Å; E344-F394 HydrophobicContact CB-CZ 4.37Å; L345-F394 VanDerWaalsContact CA-CZ 3.49Å; L345-F394 HydrophobicContact CB-CE1 4.02Å; L345-F394 HydrophobicContact CB-CE2 3.87Å; L345-F394 HydrophobicContact CB-CZ 3.48Å; L345-F394 VanDerWaalsContact CB-CZ 3.48Å; L345-F394 HydrophobicContact CD1-CD1 3.8Å; L345-F394 HydrophobicContact CD1-CD2 4.04Å; L345-F394 HydrophobicContact CD1-CE1 3.79Å; L345-F394 HydrophobicContact CD1-CE2 4.03Å; L345-F394 HydrophobicContact CD1-CG 3.94Å; L345-F394 HydrophobicContact CD1-CZ 3.91Å; L345-F394 HydrophobicContact CG-CE1 4.39Å; L345-F394 HydrophobicContact CG-CZ 4.25Å; F348-F394 HydrophobicContact CB-CD2 3.59Å; F348-F394 HydrophobicContact CB-CE2 3.95Å; F348-F394 HydrophobicContact CD1-CB 3.92Å; F348-F394 AromaticContact CD1-CD2 3.84Å; F348-F394 HydrophobicContact CD1-CD2 3.84Å; F348-F394 HydrophobicContact CD1-CG 4.22Å; F348-F394 HydrophobicContact CD2-CB 4.47Å; F348-F394 HydrophobicContact CD2-CD2 4.05Å; F348-F394 HydrophobicContact CE1-CB 3.81Å; F348-F394 HydrophobicContact CE2-CB 4.35Å; F348-F394 HydrophobicContact CG-CB 4.25Å; F348-F394 AromaticContact CG-CD2 3.55Å; F348-F394 HydrophobicContact CG-CD2 3.55Å; F348-F394 HydrophobicContact CG-CE2 4.4Å; F348-F394 HydrophobicContact CG-CG 4.32Å; F348-F394 HydrophobicContact CZ-CB 4.03Å; F394-Y397 HydrophobicContact CD2-CD1 4.14Å; F394-Y397 HydrophobicContact CE2-CD1 4.24Å; F394-V398 HydrophobicContact CD2-CG2 3.95Å; F394-V398 HydrophobicContact CE1-CG2 4.15Å; F394-V398 HydrophobicContact CE2-CG2 3.34Å; F394-V398 HydrophobicContact CZ-CG2 3.46Å; F394-V398 VanDerWaalsContact CZ-CG2 3.46Å; F394-V398 VanDerWaalsContact O-CG2 3.32Å; F394-V398 WeakPolarHBondContact O-CG2 3.4Å; F394-V398 PolarHBondContact O-N 3.26Å
395R81.9Confident78.2Confident10 Ų1026 Ų264%0.03816%0.155CC..Hα-helixtrans-67-45.1178.1164.9167.9179.1136-19.6110.5L15 V325 E326 I330 D393 V398 I399L15-R395 PolarHBondContact O-NH2 2.97Å; V325-R395 HydrophobicContact CB-CB 4.01Å; V325-R395 HydrophobicContact CG1-CB 3.78Å; V325-R395 PolarHBondContact O-NH1 3.24Å; E326-R395 IonicContact OE2-CZ 2.8Å; E326-R395 IonicContact OE2-NH1 3.49Å; E326-R395 PolarHBondContact OE2-NH1 3.16Å; E326-R395 IonicContact OE2-NH2 2.72Å; E326-R395 PolarHBondContact OE2-NH2 3.04Å; I330-R395 HydrophobicContact CD1-CB 4.45Å; I330-R395 HydrophobicContact CD1-CG 3.86Å; D393-R395 VanDerWaalsContact C-N 3.28Å; D393-R395 PolarHBondContact O-N 2.9Å; D393-R395 VanDerWaalsContact OD1-CA 3.29Å; D393-R395 WeakPolarHBondContact OD1-CA 3.34Å; D393-R395 VanDerWaalsContact OD1-CB 3.25Å; D393-R395 WeakPolarHBondContact OD1-CB 3.26Å; D393-R395 PolarHBondContact OD1-N 3.25Å; R395-V398 PolarHBondContact O-N 3.03Å; R395-I399 HydrophobicContact CG-CD1 3.76Å; R395-I399 WeakPolarHBondContact O-CB 3.43Å; R395-I399 WeakPolarHBondContact O-CD1 3.47Å; R395-I399 WeakPolarHBondContact O-CG1 3.36Å; R395-I399 PolarHBondContact O-N 3.04Å
396E81Confident77.5Confident9 Ų929.5 Ų29.54%0.04217%0.168CC..Hα-helixtrans-63-42.9175.9-72.8-178.1138.700111.8F384 R386 D387 I392 D393 I399 G400F384-E396 WeakPolarHBondContact O-CB 3.34Å; R386-E396 HydrophobicContact CB-CG 4.48Å; R386-E396 PolarHBondContact N-OE1 3.01Å; D387-E396 PolarHBondContact N-OE1 2.96Å; I392-E396 WeakPolarHBondContact CA-OE2 3.32Å; I392-E396 HydrophobicContact CG2-CB 3.92Å; D393-E396 PolarHBondContact N-OE2 3.23Å; D393-E396 PolarHBondContact O-N 3.4Å; D393-E396 WeakPolarHBondContact OD1-CB 3.5Å; D393-E396 WeakPolarHBondContact OD1-CG 3.34Å; D393-E396 PolarHBondContact OD1-N 3.07Å; E396-I399 PolarHBondContact O-N 3.07Å; E396-G400 PolarHBondContact O-N 3.08Å
397Y84.4Confident76.9Confident7 Ų731.2 Ų31.23%0.02718%0.184CC..Hα-helixtrans-55.6-53.7171.6171.8-99.2000111.9E344 S347 F348 M351 D393 F394 I399 G400 V401E344-Y397 HydrophobicContact CB-CE1 4.31Å; E344-Y397 PolarHBondContact OE2-OH 2.84Å; S347-Y397 PolarHBondContact OG-OH 2.99Å; F348-Y397 HydrophobicContact CB-CD1 3.95Å; F348-Y397 HydrophobicContact CB-CE1 4.1Å; F348-Y397 AromaticContact CD2-CD1 3.76Å; F348-Y397 HydrophobicContact CD2-CD1 3.76Å; F348-Y397 HydrophobicContact CD2-CD2 4.13Å; F348-Y397 AromaticContact CD2-CG 3.54Å; F348-Y397 HydrophobicContact CD2-CG 3.54Å; F348-Y397 HydrophobicContact CE2-CG 4.22Å; F348-Y397 HydrophobicContact CG-CD1 4.26Å; F348-Y397 HydrophobicContact CG-CG 4.47Å; M351-Y397 HydrophobicContact CE-CD2 4.04Å; M351-Y397 HydrophobicContact CE-CE1 4.18Å; M351-Y397 HydrophobicContact CE-CE2 3.21Å; M351-Y397 WeakPolarHBondContact CE-OH 3.24Å; M351-Y397 HydrophobicContact SD-CE2 4.25Å; D393-Y397 WeakPolarHBondContact O-CB 3.22Å; D393-Y397 PolarHBondContact O-N 3.13Å; F394-Y397 HydrophobicContact CD2-CD1 4.14Å; F394-Y397 HydrophobicContact CE2-CD1 4.24Å; Y397-I399 VanDerWaalsContact C-N 3.33Å; Y397-I399 PolarHBondContact O-N 2.73Å; Y397-G400 PolarHBondContact O-N 3.29Å; Y397-V401 HydrophobicContact CD2-CG2 4.08Å; Y397-V401 HydrophobicContact CE1-CG2 4.19Å; Y397-V401 HydrophobicContact CE2-CG2 3.56Å; Y397-V401 WeakPolarHBondContact O-CB 3.12Å; Y397-V401 WeakPolarHBondContact O-CG2 3.47Å; Y397-V401 PolarHBondContact O-N 2.74Å
398V80.4Confident76.2Confident1 Ų127.4 Ų27.41%0.00617%0.165CC..Hα-helixtrans-60.6-43.3-179.5170.60000111.3I330 L336 L341 E344 F394 R395 N402I330-V398 HydrophobicContact CG2-CG1 4.06Å; L336-V398 HydrophobicContact CD1-CG1 3.74Å; L341-V398 HydrophobicContact CD1-CG1 4.1Å; E344-V398 HydrophobicContact CB-CG2 4Å; F394-V398 HydrophobicContact CD2-CG2 3.95Å; F394-V398 HydrophobicContact CE1-CG2 4.15Å; F394-V398 HydrophobicContact CE2-CG2 3.34Å; F394-V398 HydrophobicContact CZ-CG2 3.46Å; F394-V398 VanDerWaalsContact CZ-CG2 3.46Å; F394-V398 VanDerWaalsContact O-CG2 3.32Å; F394-V398 WeakPolarHBondContact O-CG2 3.4Å; F394-V398 PolarHBondContact O-N 3.26Å; R395-V398 PolarHBondContact O-N 3.03Å; V398-N402 VanDerWaalsContact O-CB 3.3Å; V398-N402 WeakPolarHBondContact O-CB 3.11Å; V398-N402 PolarHBondContact O-N 2.86Å; V398-N402 PolarHBondContact O-ND2 3.42Å
399I75.1Confident75.5Confident5 Ų526.5 Ų26.53%0.02615%0.149CC..Hα-helixtrans-64.3-46.8178.1-71169000110.4L15 L334 R395 E396 Y397 N402 I403L15-I399 HydrophobicContact CD1-CD1 4.48Å; L15-I399 HydrophobicContact CD1-CG2 4.45Å; L15-I399 HydrophobicContact CD2-CD1 4.21Å; L334-I399 HydrophobicContact CD1-CG1 4.36Å; R395-I399 HydrophobicContact CG-CD1 3.76Å; R395-I399 WeakPolarHBondContact O-CB 3.43Å; R395-I399 WeakPolarHBondContact O-CD1 3.47Å; R395-I399 WeakPolarHBondContact O-CG1 3.36Å; R395-I399 PolarHBondContact O-N 3.04Å; E396-I399 PolarHBondContact O-N 3.07Å; Y397-I399 VanDerWaalsContact C-N 3.33Å; Y397-I399 PolarHBondContact O-N 2.73Å; I399-N402 PolarHBondContact O-N 3.14Å; I399-I403 HydrophobicContact CG2-CD1 3.64Å; I399-I403 HydrophobicContact CG2-CG1 4.29Å; I399-I403 WeakPolarHBondContact O-CB 3.36Å; I399-I403 WeakPolarHBondContact O-CG1 3.41Å; I399-I403 PolarHBondContact O-N 2.96Å
400G74.3Confident74.9Confident2 Ų225.3 Ų25.32%0.02115%0.145CC..Hα-helixtrans-60.3-51.3179.800000111.5E396 Y397 N402 I403 L404 C405E396-G400 PolarHBondContact O-N 3.08Å; Y397-G400 PolarHBondContact O-N 3.29Å; G400-N402 VanDerWaalsContact C-N 3.31Å; G400-N402 PolarHBondContact O-N 3.24Å; G400-I403 PolarHBondContact O-N 3.26Å; G400-L404 WeakPolarHBondContact O-CA 3.32Å; G400-L404 WeakPolarHBondContact O-CB 3.49Å; G400-L404 WeakPolarHBondContact O-CG 3.24Å; G400-L404 PolarHBondContact O-N 3.32Å; G400-C405 PolarHBondContact O-N 3.39Å
401V76.8Confident74.4Confident0 Ų028.1 Ų28.10%015%0.148CC..Iπ-helixtrans-57.7-43.6176.6167.80000111.7F384 Y397 C405 R406 P477F384-V401 HydrophobicContact CE1-CG2 4.26Å; Y397-V401 HydrophobicContact CD2-CG2 4.08Å; Y397-V401 HydrophobicContact CE1-CG2 4.19Å; Y397-V401 HydrophobicContact CE2-CG2 3.56Å; Y397-V401 WeakPolarHBondContact O-CB 3.12Å; Y397-V401 WeakPolarHBondContact O-CG2 3.47Å; Y397-V401 PolarHBondContact O-N 2.74Å; V401-C405 VanDerWaalsContact O-CB 3.25Å; V401-C405 WeakPolarHBondContact O-CB 3.48Å; V401-C405 PolarHBondContact O-N 2.87Å; V401-R406 PolarHBondContact O-N 3.43Å; V401-P477 HydrophobicContact CG1-CB 3.88Å; V401-P477 HydrophobicContact CG1-CG 4.31Å
402N72.1Confident73.5Confident16 Ų1632.2 Ų32.29%0.08617%0.168CC..Iπ-helixtrans-78.5-32.8-174.4-83.1-90.3000114.6L334 L336 V398 I399 G400 R406L334-N402 HydrophobicContact CD1-CB 3.82Å; L336-N402 VanDerWaalsContact CD2-OD1 3.32Å; L336-N402 WeakPolarHBondContact CD2-OD1 3.37Å; V398-N402 VanDerWaalsContact O-CB 3.3Å; V398-N402 WeakPolarHBondContact O-CB 3.11Å; V398-N402 PolarHBondContact O-N 2.86Å; V398-N402 PolarHBondContact O-ND2 3.42Å; I399-N402 PolarHBondContact O-N 3.14Å; G400-N402 VanDerWaalsContact C-N 3.31Å; G400-N402 PolarHBondContact O-N 3.24Å; N402-R406 WeakPolarHBondContact OD1-CD 3.44Å; N402-R406 PolarHBondContact OD1-NE 2.83Å; N402-R406 PolarHBondContact OD1-NH1 2.91Å
403I68.3Low72.7Confident74 Ų7434 Ų3438%0.37918%0.179SC..Iπ-helixtrans-93.3-41.5-177-60.7-176000111L334 I399 G400 P407L334-I403 HydrophobicContact CD2-CD1 3.96Å; L334-I403 HydrophobicContact CD2-CG1 3.69Å; I399-I403 HydrophobicContact CG2-CD1 3.64Å; I399-I403 HydrophobicContact CG2-CG1 4.29Å; I399-I403 WeakPolarHBondContact O-CB 3.36Å; I399-I403 WeakPolarHBondContact O-CG1 3.41Å; I399-I403 PolarHBondContact O-N 2.96Å; G400-I403 PolarHBondContact O-N 3.26Å; I403-P407 WeakPolarHBondContact O-CD 3.47Å; I403-P407 WeakPolarHBondContact O-CG 3.41Å
404L65.4Low72Confident26 Ų2632.1 Ų32.114%0.13617%0.169CC..Iπ-helixtrans-90.6-39.5-172.6-52172.3000111.6L9 L383 F384 G400 K481L9-L404 HydrophobicContact CD1-CD2 4.49Å; L383-L404 HydrophobicContact CB-CD1 3.61Å; L383-L404 HydrophobicContact CD1-CD1 4.44Å; F384-L404 HydrophobicContact CD2-CD1 3.95Å; F384-L404 HydrophobicContact CE2-CD1 3.85Å; F384-L404 HydrophobicContact CZ-CD1 4.44Å; G400-L404 WeakPolarHBondContact O-CA 3.32Å; G400-L404 WeakPolarHBondContact O-CB 3.49Å; G400-L404 WeakPolarHBondContact O-CG 3.24Å; G400-L404 PolarHBondContact O-N 3.32Å; L404-K481 HydrophobicContact CB-CG 4.42Å
405C67.4Low71.5Confident0 Ų036 Ų360%019%0.186CC..Iπ-helixtrans-100.2-42.6-167.9-63.70000114.3G400 V401 A408 N409 P477 A480G400-C405 PolarHBondContact O-N 3.39Å; V401-C405 VanDerWaalsContact O-CB 3.25Å; V401-C405 WeakPolarHBondContact O-CB 3.48Å; V401-C405 PolarHBondContact O-N 2.87Å; C405-A408 WeakPolarHBondContact O-CA 3.22Å; C405-A408 WeakPolarHBondContact O-CB 3.43Å; C405-A408 PolarHBondContact O-N 3.46Å; C405-A408 VanDerWaalsContact O-N 3.12Å; C405-N409 PolarHBondContact O-N 3.36Å; C405-P477 HydrophobicContact CB-CB 4.06Å; C405-P477 WeakPolarHBondContact CB-O 3.45Å; C405-P477 PolarHBondContact SG-O 2.99Å; C405-A480 HydrophobicContact CB-CB 4.04Å; C405-A480 WeakPolarHBondContact O-CB 3.43Å
406R68.2Low70.9Confident88 Ų8840.8 Ų40.833%0.33221%0.21SC..THydrogen-bonded Turntrans-63.1-42.5-178.1-74-173.7-174.8-176.31.3114.3L336 E344 V401 N402 A408 N409L336-R406 VanDerWaalsContact CD2-NH1 3.31Å; E344-R406 IonicContact OE1-CZ 2.97Å; E344-R406 IonicContact OE1-NH2 3.92Å; E344-R406 PolarHBondContact OE1-NH2 2.85Å; V401-R406 PolarHBondContact O-N 3.43Å; N402-R406 WeakPolarHBondContact OD1-CD 3.44Å; N402-R406 PolarHBondContact OD1-NE 2.83Å; N402-R406 PolarHBondContact OD1-NH1 2.91Å; R406-A408 PolarHBondContact O-N 3.36Å; R406-N409 PolarHBondContact O-N 3.17Å; R406-N409 VanDerWaalsContact O-N 3.09Å
407P59.6Low70.4Confident79 Ų7940.4 Ų40.451%0.51321%0.209SC..G310 helixtrans-65.2-25174.5-22.535.6000113.1I403 N409I403-P407 WeakPolarHBondContact O-CD 3.47Å; I403-P407 WeakPolarHBondContact O-CG 3.41Å; P407-N409 VanDerWaalsContact C-N 3.28Å
408A56Low69.9Low9 Ų940.6 Ų40.67%0.07421%0.21CC..G310 helixtrans-77-12.7174.700000113.4C405 R406 V413 A480 T484C405-A408 WeakPolarHBondContact O-CA 3.22Å; C405-A408 WeakPolarHBondContact O-CB 3.43Å; C405-A408 PolarHBondContact O-N 3.46Å; C405-A408 VanDerWaalsContact O-N 3.12Å; R406-A408 PolarHBondContact O-N 3.36Å; A408-V413 VanDerWaalsContact O-CG1 3.29Å; A408-V413 WeakPolarHBondContact O-CG1 3.23Å; A408-A480 HydrophobicContact CB-CB 4.05Å; A408-T484 HydrophobicContact CB-CG2 3.42Å; A408-T484 VanDerWaalsContact CB-CG2 3.42Å; A408-T484 WeakPolarHBondContact CB-OG1 3.4Å
409N63.8Low69.7Low30 Ų3046.2 Ų46.216%0.1624%0.236CC..G310 helixtrans-97.918.7-179.2-86.8-10.8000113.9C405 R406 P407 A473 A480C405-N409 PolarHBondContact O-N 3.36Å; R406-N409 PolarHBondContact O-N 3.17Å; R406-N409 VanDerWaalsContact O-N 3.09Å; P407-N409 VanDerWaalsContact C-N 3.28Å; N409-A473 PolarHBondContact ND2-O 2.97Å; N409-A480 WeakPolarHBondContact OD1-CB 3.42Å
410T70.7Confident69.3Low66 Ų6648.9 Ų48.941%0.40525%0.25SC..SBendtrans-70.2144.2170.754.10000109.9D412 V413 L414T410-D412 PolarHBondContact O-N 3Å; T410-D412 VanDerWaalsContact O-N 3.16Å; T410-V413 PolarHBondContact O-N 3.22Å; T410-V413 WeakPolarHBondContact OG1-CB 3.48Å; T410-V413 WeakPolarHBondContact OG1-CG2 3.37Å; T410-L414 PolarHBondContact O-N 3.39Å
411E73Confident69.1Low97 Ų9749 Ų4945%0.45325%0.25SC..Hα-helixtrans-52.2-41.8-177.8-173.3177.9164.800112.6V413 L414 K415 F466E411-V413 VanDerWaalsContact C-N 3.34Å; E411-V413 PolarHBondContact O-N 2.89Å; E411-L414 PolarHBondContact O-N 3.38Å; E411-K415 HydrophobicContact CG-CD 4.34Å; E411-K415 WeakPolarHBondContact O-CB 3.46Å; E411-K415 WeakPolarHBondContact O-CG 3.43Å; E411-K415 PolarHBondContact O-N 3.47Å; E411-K415 WeakPolarHBondContact OE1-CE 3.46Å; E411-K415 IonicContact OE1-NZ 2.8Å; E411-K415 PolarHBondContact OE1-NZ 3.42Å; E411-F466 HydrophobicContact CG-CZ 4.48Å
412D69.3Low69.2Low113 Ų11349.2 Ų49.260%0.60425%0.251SS*.Hα-helixtrans-62.9-39.1178.2-60.4-34.6000112.9T410 M416T410-D412 PolarHBondContact O-N 3Å; T410-D412 VanDerWaalsContact O-N 3.16Å; D412-M416 WeakPolarHBondContact O-CB 3.17Å; D412-M416 VanDerWaalsContact O-CG 3.27Å; D412-M416 WeakPolarHBondContact O-CG 3.45Å; D412-M416 PolarHBondContact O-N 2.97Å
413V67.4Low69.3Low38 Ų3854 Ų5423%0.2328%0.276CS..Hα-helixtrans-75.6-37-179.7174.50000110.4A408 T410 E411 M416 A417 T484 L487A408-V413 VanDerWaalsContact O-CG1 3.29Å; A408-V413 WeakPolarHBondContact O-CG1 3.23Å; T410-V413 PolarHBondContact O-N 3.22Å; T410-V413 WeakPolarHBondContact OG1-CB 3.48Å; T410-V413 WeakPolarHBondContact OG1-CG2 3.37Å; E411-V413 VanDerWaalsContact C-N 3.34Å; E411-V413 PolarHBondContact O-N 2.89Å; V413-M416 PolarHBondContact O-N 3.44Å; V413-A417 WeakPolarHBondContact O-CB 3.34Å; V413-A417 PolarHBondContact O-N 3.48Å; V413-T484 HydrophobicContact CG1-CG2 3.31Å; V413-L487 HydrophobicContact CG1-CD1 4.08Å
414L72.1Confident69.9Low3 Ų355.7 Ų55.72%0.01629%0.285CS..Hα-helixtrans-67.2-38.8173.7-68.7175.2000111.8T410 E411 A417 F418 F466 F469 Q470 A473T410-L414 PolarHBondContact O-N 3.39Å; E411-L414 PolarHBondContact O-N 3.38Å; L414-A417 PolarHBondContact O-N 2.85Å; L414-F418 VanDerWaalsContact O-CB 3.26Å; L414-F418 WeakPolarHBondContact O-CB 3.27Å; L414-F418 PolarHBondContact O-N 3.42Å; L414-F466 HydrophobicContact CB-CE2 4.36Å; L414-F469 HydrophobicContact CD2-CE1 4.03Å; L414-Q470 HydrophobicContact CD1-CG 4.11Å; L414-A473 HydrophobicContact CD1-CB 4.17Å; L414-A473 HydrophobicContact CD2-CB 3.57Å
415K75.3Confident70.7Confident82 Ų8260.3 Ų60.336%0.35731%0.31SS..Hα-helixtrans-63.3-47172.6-78.6179.8-176.2164.10111.2E411 A417 F418 Q419 F466E411-K415 HydrophobicContact CG-CD 4.34Å; E411-K415 WeakPolarHBondContact O-CB 3.46Å; E411-K415 WeakPolarHBondContact O-CG 3.43Å; E411-K415 PolarHBondContact O-N 3.47Å; E411-K415 WeakPolarHBondContact OE1-CE 3.46Å; E411-K415 IonicContact OE1-NZ 2.8Å; E411-K415 PolarHBondContact OE1-NZ 3.42Å; K415-A417 VanDerWaalsContact C-N 3.33Å; K415-A417 PolarHBondContact O-N 3.31Å; K415-F418 PolarHBondContact O-N 3.14Å; K415-Q419 WeakPolarHBondContact O-CB 3.44Å; K415-Q419 WeakPolarHBondContact O-CG 3.39Å; K415-Q419 PolarHBondContact O-N 2.95Å; K415-F466 HydrophobicContact CB-CE2 4.17Å; K415-F466 HydrophobicContact CB-CZ 4.38Å; K415-F466 HydrophobicContact CD-CZ 4.25Å; K415-F466 HydrophobicContact CG-CD2 4.31Å; K415-F466 HydrophobicContact CG-CE1 4Å; K415-F466 HydrophobicContact CG-CE2 3.46Å; K415-F466 VanDerWaalsContact CG-CE2 3.46Å; K415-F466 HydrophobicContact CG-CZ 3.28Å
416M67.8Low71.6Confident111 Ų11164 Ų6455%0.54733%0.33SS..Hα-helixtrans-61.1-41.6175.8-75.1-179.2-176.900112.1D412 V413 L420 L487D412-M416 WeakPolarHBondContact O-CB 3.17Å; D412-M416 VanDerWaalsContact O-CG 3.27Å; D412-M416 WeakPolarHBondContact O-CG 3.45Å; D412-M416 PolarHBondContact O-N 2.97Å; V413-M416 PolarHBondContact O-N 3.44Å; M416-L420 WeakPolarHBondContact O-CG 3.49Å; M416-L420 PolarHBondContact O-N 3.44Å; M416-L487 HydrophobicContact CB-CD1 4.49Å; M416-L487 HydrophobicContact CB-CD2 4.14Å
417A70Confident72.3Confident1 Ų161.7 Ų61.71%0.00833%0.333CS..Hα-helixtrans-64.1-46.7175.400000110.8V413 L414 K415 Q419 L420 F421 F469 F483 L487V413-A417 WeakPolarHBondContact O-CB 3.34Å; V413-A417 PolarHBondContact O-N 3.48Å; L414-A417 PolarHBondContact O-N 2.85Å; K415-A417 VanDerWaalsContact C-N 3.33Å; K415-A417 PolarHBondContact O-N 3.31Å; A417-Q419 PolarHBondContact O-N 2.94Å; A417-L420 WeakPolarHBondContact O-CB 3.22Å; A417-L420 PolarHBondContact O-N 3.18Å; A417-F421 VanDerWaalsContact O-CD2 3.32Å; A417-F421 WeakPolarHBondContact O-CD2 3.35Å; A417-F421 PolarHBondContact O-N 3.47Å; A417-F421 VanDerWaalsContact O-N 3.13Å; A417-F469 HydrophobicContact CB-CE1 4.22Å; A417-F469 HydrophobicContact CB-CZ 4.22Å; A417-F483 HydrophobicContact CB-CB 4.36Å; A417-L487 HydrophobicContact CB-CD1 3.98Å
418F75.3Confident73.6Confident12 Ų1262.3 Ų62.35%0.05333%0.328CS..Hα-helixtrans-57.5-47.9178.3-175.5-90.9000112.2L414 K415 L420 F421 D422 G427 I429 T465 F466 F469L414-F418 VanDerWaalsContact O-CB 3.26Å; L414-F418 WeakPolarHBondContact O-CB 3.27Å; L414-F418 PolarHBondContact O-N 3.42Å; K415-F418 PolarHBondContact O-N 3.14Å; F418-L420 PolarHBondContact O-N 2.78Å; F418-F421 WeakPolarHBondContact O-CB 3.49Å; F418-F421 PolarHBondContact O-N 2.86Å; F418-D422 WeakPolarHBondContact O-CB 3.36Å; F418-D422 PolarHBondContact O-N 2.93Å; F418-G427 WeakPolarHBondContact CZ-O 3.14Å; F418-I429 HydrophobicContact CD2-CD1 3.4Å; F418-I429 VanDerWaalsContact CD2-CD1 3.4Å; F418-I429 HydrophobicContact CD2-CG1 4.06Å; F418-I429 HydrophobicContact CE2-CD1 3.46Å; F418-I429 VanDerWaalsContact CE2-CD1 3.46Å; F418-I429 HydrophobicContact CE2-CG1 3.7Å; F418-I429 HydrophobicContact CG-CD1 4.21Å; F418-I429 HydrophobicContact CZ-CD1 4.31Å; F418-I429 HydrophobicContact CZ-CG1 4.08Å; F418-T465 VanDerWaalsContact CE2-C 3.43Å; F418-F466 HydrophobicContact CB-CD2 3.75Å; F418-F466 HydrophobicContact CB-CE2 4.23Å; F418-F466 HydrophobicContact CD1-CB 4.21Å; F418-F466 HydrophobicContact CD1-CD2 4.12Å; F418-F466 HydrophobicContact CD2-CB 4.16Å; F418-F466 AromaticContact CD2-CD2 3.99Å; F418-F466 HydrophobicContact CD2-CD2 3.99Å; F418-F466 HydrophobicContact CE1-CB 4.07Å; F418-F466 HydrophobicContact CE2-CB 4.03Å; F418-F466 HydrophobicContact CG-CB 4.25Å; F418-F466 AromaticContact CG-CD2 3.67Å; F418-F466 HydrophobicContact CG-CD2 3.67Å; F418-F466 HydrophobicContact CG-CG 4.46Å; F418-F466 HydrophobicContact CZ-CB 3.97Å; F418-F466 VanDerWaalsContact CZ-N 3.33Å; F418-F469 HydrophobicContact CB-CD1 4.2Å; F418-F469 HydrophobicContact CB-CE1 4.37Å; F418-F469 HydrophobicContact CD2-CB 3.78Å; F418-F469 HydrophobicContact CD2-CD1 4.12Å; F418-F469 HydrophobicContact CD2-CD2 4.42Å; F418-F469 AromaticContact CD2-CG 3.87Å; F418-F469 HydrophobicContact CD2-CG 3.87Å; F418-F469 HydrophobicContact CE2-CB 4.19Å
419Q75.2Confident75Confident119 Ų11961.9 Ų61.956%0.55632%0.324SS*.Hα-helixtrans-62.8-23.7176.2-73.2178.9-38.600113.8K415 A417K415-Q419 WeakPolarHBondContact O-CB 3.44Å; K415-Q419 WeakPolarHBondContact O-CG 3.39Å; K415-Q419 PolarHBondContact O-N 2.95Å; A417-Q419 PolarHBondContact O-N 2.94Å
420L68.1Low76.1Confident61 Ų6161.2 Ų61.232%0.31932%0.322SS..Hα-helixtrans-80.1-29.9173.5-77.3177.2000112.6M416 A417 F418 L437 Y486 L487M416-L420 WeakPolarHBondContact O-CG 3.49Å; M416-L420 PolarHBondContact O-N 3.44Å; A417-L420 WeakPolarHBondContact O-CB 3.22Å; A417-L420 PolarHBondContact O-N 3.18Å; F418-L420 PolarHBondContact O-N 2.78Å; L420-L437 VanDerWaalsContact C-CD1 3.45Å; L420-L437 HydrophobicContact CB-CD1 4.34Å; L420-L437 WeakPolarHBondContact O-CD1 3.41Å; L420-Y486 HydrophobicContact CB-CD1 4.44Å; L420-Y486 HydrophobicContact CB-CE1 4.2Å; L420-Y486 HydrophobicContact CD1-CD1 4.04Å; L420-Y486 HydrophobicContact CD1-CE1 4.17Å; L420-L487 HydrophobicContact CD1-CD2 3.23Å; L420-L487 HydrophobicContact CD1-CG 3.7Å; L420-L487 HydrophobicContact CG-CD2 4.37Å
421F70.4Confident76.8Confident3 Ų361 Ų611%0.01332%0.318CS..Hα-helixtrans-75.8-33.4174.8-88-99.5000112.5A417 F418 I423 I429 E433 F434 L437 L438 F483A417-F421 VanDerWaalsContact O-CD2 3.32Å; A417-F421 WeakPolarHBondContact O-CD2 3.35Å; A417-F421 PolarHBondContact O-N 3.47Å; A417-F421 VanDerWaalsContact O-N 3.13Å; F418-F421 WeakPolarHBondContact O-CB 3.49Å; F418-F421 PolarHBondContact O-N 2.86Å; F421-I423 PolarHBondContact O-N 3.32Å; F421-I429 HydrophobicContact CB-CD1 3.41Å; F421-I429 VanDerWaalsContact CB-CD1 3.41Å; F421-I429 HydrophobicContact CB-CG1 3.72Å; F421-I429 HydrophobicContact CB-CG2 4.02Å; F421-I429 HydrophobicContact CD1-CD1 4.48Å; F421-I429 HydrophobicContact CD1-CG2 4.2Å; F421-I429 HydrophobicContact CG-CD1 4.1Å; F421-E433 VanDerWaalsContact O-CB 3.29Å; F421-E433 WeakPolarHBondContact O-CB 3.38Å; F421-F434 AromaticContact CD1-CD2 3.86Å; F421-F434 HydrophobicContact CD1-CD2 3.86Å; F421-F434 AromaticContact CE1-CD2 3.68Å; F421-F434 HydrophobicContact CE1-CD2 3.68Å; F421-F434 HydrophobicContact CE1-CE2 4.04Å; F421-F434 HydrophobicContact CE1-CG 4.48Å; F421-L437 VanDerWaalsContact CA-CD1 3.45Å; F421-L437 HydrophobicContact CB-CD1 4.13Å; F421-L437 HydrophobicContact CD1-CB 4.05Å; F421-L437 HydrophobicContact CD1-CD1 4.05Å; F421-L437 HydrophobicContact CD1-CD2 4.43Å; F421-L437 HydrophobicContact CD1-CG 4.41Å; F421-L437 HydrophobicContact CD2-CD1 3.65Å; F421-L437 HydrophobicContact CD2-CD2 4.06Å; F421-L437 HydrophobicContact CD2-CG 4.39Å; F421-L437 HydrophobicContact CE1-CB 4Å; F421-L437 HydrophobicContact CE1-CD1 4.4Å; F421-L437 HydrophobicContact CE1-CD2 3.96Å; F421-L437 HydrophobicContact CE1-CG 4.34Å; F421-L437 HydrophobicContact CE2-CD1 4.03Å; F421-L437 HydrophobicContact CE2-CD2 3.53Å; F421-L437 HydrophobicContact CE2-CG 4.32Å; F421-L437 HydrophobicContact CG-CD1 3.67Å; F421-L437 HydrophobicContact CG-CD2 4.49Å; F421-L437 HydrophobicContact CG-CG 4.45Å; F421-L437 HydrophobicContact CZ-CB 4.42Å; F421-L437 HydrophobicContact CZ-CD1 4.4Å; F421-L437 HydrophobicContact CZ-CD2 3.49Å; F421-L437 VanDerWaalsContact CZ-CD2 3.49Å; F421-L437 HydrophobicContact CZ-CG 4.31Å; F421-L438 HydrophobicContact CE1-CD1 4.3Å; F421-L438 HydrophobicContact CE1-CG 3.98Å; F421-L438 HydrophobicContact CZ-CD2 4.24Å; F421-L438 HydrophobicContact CZ-CG 4.1Å; F421-F483 AromaticContact CE2-CD1 3.69Å; F421-F483 HydrophobicContact CE2-CD1 3.69Å; F421-F483 HydrophobicContact CE2-CE1 4.35Å; F421-F483 AromaticContact CZ-CD1 3.58Å; F421-F483 HydrophobicContact CZ-CD1 3.58Å; F421-F483 AromaticContact CZ-CE1 3.86Å; F421-F483 HydrophobicContact CZ-CE1 3.86Å
422D77.6Confident77.3Confident6 Ų660.4 Ų60.43%0.03233%0.325CS..  trans-8191.1174.9-176.5-1.8000109.3F418 D425 D426 G427 K428 I429F418-D422 WeakPolarHBondContact O-CB 3.36Å; F418-D422 PolarHBondContact O-N 2.93Å; D422-D425 WeakPolarHBondContact OD1-CA 3.48Å; D422-D425 PolarHBondContact OD1-N 3.47Å; D422-D426 PolarHBondContact OD1-N 3.12Å; D422-D426 PolarHBondContact OD2-N 3.38Å; D422-G427 WeakPolarHBondContact OD2-CA 3.33Å; D422-G427 PolarHBondContact OD2-N 3.46Å; D422-K428 VanDerWaalsContact CG-O 3.32Å; D422-K428 PolarHBondContact OD2-N 3.25Å; D422-I429 HydrophobicContact CB-CG1 4.48Å
423I74.3Confident77.8Confident117 Ų11755.8 Ų55.860%0.630%0.3SS*.SBendtrans-77.2-33.5-171.5-63177.2000110.2F421 E433F421-I423 PolarHBondContact O-N 3.32Å; I423-E433 HydrophobicContact CB-CG 4.3Å; I423-E433 HydrophobicContact CD1-CB 4.45Å; I423-E433 HydrophobicContact CD1-CG 4.22Å; I423-E433 HydrophobicContact CG1-CG 4.25Å; I423-E433 PolarHBondContact N-OE1 3.22Å
424D81.3Confident78.5Confident109 Ų10954 Ų5458%0.58329%0.289SS*.SBendtrans-93.41.7179.4676.7000114.5D426 E433D424-D426 PolarHBondContact O-N 3.31Å; D424-D426 WeakPolarHBondContact OD1-CB 3.3Å; D424-D426 PolarHBondContact OD1-N 3.27Å; D424-E433 PolarHBondContact N-OE1 2.86Å
425D81.8Confident78.7Confident123 Ų12354.9 Ų54.966%0.65829%0.294SS*.  trans57.135.7176.6-160.134.2000112D422 G427D422-D425 WeakPolarHBondContact OD1-CA 3.48Å; D422-D425 PolarHBondContact OD1-N 3.47Å; D425-G427 PolarHBondContact O-N 3.45Å
426D85.5Confident78.5Confident76 Ų7653.5 Ų53.541%0.40630%0.298SS..SBendtrans-83.1-1.4-179.992.8-11.7000113.4D422 D424 K428D422-D426 PolarHBondContact OD1-N 3.12Å; D422-D426 PolarHBondContact OD2-N 3.38Å; D424-D426 PolarHBondContact O-N 3.31Å; D424-D426 WeakPolarHBondContact OD1-CB 3.3Å; D424-D426 PolarHBondContact OD1-N 3.27Å; D426-K428 WeakPolarHBondContact OD1-CA 3.33Å; D426-K428 VanDerWaalsContact OD1-CB 3.25Å; D426-K428 WeakPolarHBondContact OD1-CB 3.44Å; D426-K428 PolarHBondContact OD1-N 2.94Å; D426-K428 VanDerWaalsContact OD1-O 3.1Å
427G83.2Confident78.6Confident40 Ų4048.4 Ų48.441%0.41227%0.273SS..SBendtrans82.711.2-179.800000113.6F418 D422 D425F418-G427 WeakPolarHBondContact CZ-O 3.14Å; D422-G427 WeakPolarHBondContact OD2-CA 3.33Å; D422-G427 PolarHBondContact OD2-N 3.46Å; D425-G427 PolarHBondContact O-N 3.45Å
428K88.4Confident78.5Confident92 Ų9248.6 Ų48.640%0.427%0.274SS..EExtended strand (participates in β ladder)trans-142.7160.8-176.9-48.2175.2-171.1165.10109.5D422 D426 F463 I464D422-K428 VanDerWaalsContact CG-O 3.32Å; D422-K428 PolarHBondContact OD2-N 3.25Å; D426-K428 WeakPolarHBondContact OD1-CA 3.33Å; D426-K428 VanDerWaalsContact OD1-CB 3.25Å; D426-K428 WeakPolarHBondContact OD1-CB 3.44Å; D426-K428 PolarHBondContact OD1-N 2.94Å; D426-K428 VanDerWaalsContact OD1-O 3.1Å; K428-F463 HydrophobicContact CB-CB 3.98Å; K428-F463 HydrophobicContact CB-CD1 4.47Å; K428-F463 HydrophobicContact CB-CG 4.49Å; K428-F463 HydrophobicContact CD-CB 4.21Å; K428-F463 HydrophobicContact CD-CG 4.35Å; K428-I464 WeakPolarHBondContact CA-O 3.39Å
429I84.9Confident78.3Confident0 Ų051.7 Ų51.70%029%0.285CS..EExtended strand (participates in β ladder)trans-113.5115.7176.2-54.7163.5000108.5F418 F421 D422 E433 F434 F453 F463 I464 F469F418-I429 HydrophobicContact CD2-CD1 3.4Å; F418-I429 VanDerWaalsContact CD2-CD1 3.4Å; F418-I429 HydrophobicContact CD2-CG1 4.06Å; F418-I429 HydrophobicContact CE2-CD1 3.46Å; F418-I429 VanDerWaalsContact CE2-CD1 3.46Å; F418-I429 HydrophobicContact CE2-CG1 3.7Å; F418-I429 HydrophobicContact CG-CD1 4.21Å; F418-I429 HydrophobicContact CZ-CD1 4.31Å; F418-I429 HydrophobicContact CZ-CG1 4.08Å; F421-I429 HydrophobicContact CB-CD1 3.41Å; F421-I429 VanDerWaalsContact CB-CD1 3.41Å; F421-I429 HydrophobicContact CB-CG1 3.72Å; F421-I429 HydrophobicContact CB-CG2 4.02Å; F421-I429 HydrophobicContact CD1-CD1 4.48Å; F421-I429 HydrophobicContact CD1-CG2 4.2Å; F421-I429 HydrophobicContact CG-CD1 4.1Å; D422-I429 HydrophobicContact CB-CG1 4.48Å; I429-E433 HydrophobicContact CG2-CB 4.24Å; I429-F434 HydrophobicContact CG2-CB 3.91Å; I429-F434 HydrophobicContact CG2-CD2 4.32Å; I429-F453 WeakPolarHBondContact O-CE2 3.34Å; I429-F463 WeakPolarHBondContact O-CA 3.35Å; I429-I464 HydrophobicContact CB-CB 4.21Å; I429-I464 PolarHBondContact N-O 3Å; I429-I464 PolarHBondContact O-N 3.43Å; I429-F469 HydrophobicContact CD1-CD2 4.14Å; I429-F469 HydrophobicContact CD1-CE2 4.48Å
430S87.3Confident77.9Confident17 Ų1749.5 Ų49.512%0.11928%0.283CS..EExtended strand (participates in β ladder)trans-75.6160.5173.470.10000112.1S432 E433 F434S430-S432 PolarHBondContact O-N 3.48Å; S430-S432 PolarHBondContact OG-OG 3.32Å; S430-E433 VanDerWaalsContact CB-OE2 3.22Å; S430-E433 WeakPolarHBondContact CB-OE2 3.39Å; S430-E433 PolarHBondContact N-OE2 2.94Å; S430-E433 PolarHBondContact O-N 3.11Å; S430-E433 VanDerWaalsContact OG-CD 3.27Å; S430-E433 VanDerWaalsContact OG-CG 3.24Å; S430-E433 WeakPolarHBondContact OG-CG 3.34Å; S430-E433 PolarHBondContact OG-N 3.36Å; S430-E433 PolarHBondContact OG-OE2 3.19Å; S430-F434 WeakPolarHBondContact O-CB 3.42Å; S430-F434 PolarHBondContact O-N 3.16Å
431L84.9Confident77.6Confident60 Ų6047.2 Ų47.231%0.31427%0.273SS..Hα-helixtrans-59.1-33.6175.617963.7000112.2N435 T450 F453L431-N435 WeakPolarHBondContact CD1-ND2 3.37Å; L431-N435 WeakPolarHBondContact O-CB 3.49Å; L431-N435 PolarHBondContact O-N 3.03Å; L431-N435 VanDerWaalsContact O-N 3.07Å; L431-N435 PolarHBondContact O-ND2 3.3Å; L431-T450 HydrophobicContact CD2-CG2 4.29Å; L431-F453 HydrophobicContact CB-CD1 4.28Å; L431-F453 HydrophobicContact CB-CD2 4.34Å; L431-F453 HydrophobicContact CB-CE1 4.09Å; L431-F453 HydrophobicContact CB-CE2 4.16Å; L431-F453 HydrophobicContact CB-CG 4.4Å; L431-F453 HydrophobicContact CB-CZ 4.02Å; L431-F453 HydrophobicContact CD1-CB 3.58Å; L431-F453 HydrophobicContact CD1-CD1 3.83Å; L431-F453 HydrophobicContact CD1-CD2 3.91Å; L431-F453 HydrophobicContact CD1-CE1 4.49Å; L431-F453 HydrophobicContact CD1-CG 3.49Å; L431-F453 VanDerWaalsContact CD1-CG 3.49Å
432S82.4Confident77.2Confident86 Ų8647.6 Ų47.660%0.60128%0.275SS*.Hα-helixtrans-64.9-47.2176.425.60000112.1S430 N435 A436S430-S432 PolarHBondContact O-N 3.48Å; S430-S432 PolarHBondContact OG-OG 3.32Å; S432-N435 PolarHBondContact O-N 3.46Å; S432-A436 WeakPolarHBondContact O-CB 3.41Å; S432-A436 PolarHBondContact O-N 3.29Å
433E81.2Confident76.5Confident15 Ų1550.3 Ų50.37%0.0730%0.304CS..Hα-helixtrans-69.6-42.4-178.9-67.2164.4124.900111.6F421 I423 D424 I429 S430 N435 A436 L437F421-E433 VanDerWaalsContact O-CB 3.29Å; F421-E433 WeakPolarHBondContact O-CB 3.38Å; I423-E433 HydrophobicContact CB-CG 4.3Å; I423-E433 HydrophobicContact CD1-CB 4.45Å; I423-E433 HydrophobicContact CD1-CG 4.22Å; I423-E433 HydrophobicContact CG1-CG 4.25Å; I423-E433 PolarHBondContact N-OE1 3.22Å; D424-E433 PolarHBondContact N-OE1 2.86Å; I429-E433 HydrophobicContact CG2-CB 4.24Å; S430-E433 VanDerWaalsContact CB-OE2 3.22Å; S430-E433 WeakPolarHBondContact CB-OE2 3.39Å; S430-E433 PolarHBondContact N-OE2 2.94Å; S430-E433 PolarHBondContact O-N 3.11Å; S430-E433 VanDerWaalsContact OG-CD 3.27Å; S430-E433 VanDerWaalsContact OG-CG 3.24Å; S430-E433 WeakPolarHBondContact OG-CG 3.34Å; S430-E433 PolarHBondContact OG-N 3.36Å; S430-E433 PolarHBondContact OG-OE2 3.19Å; E433-N435 VanDerWaalsContact C-N 3.31Å; E433-N435 PolarHBondContact O-N 3.22Å; E433-A436 PolarHBondContact O-N 3.41Å; E433-L437 WeakPolarHBondContact O-CB 3.36Å; E433-L437 PolarHBondContact O-N 3.45Å
434F81Confident75.8Confident0 Ų046.1 Ų46.10%028%0.283CS..Hα-helixtrans-56.9-45174-169.1-106.1000112.1F421 I429 S430 L438 M449 L452 F453 I456 I464 F483F421-F434 AromaticContact CD1-CD2 3.86Å; F421-F434 HydrophobicContact CD1-CD2 3.86Å; F421-F434 AromaticContact CE1-CD2 3.68Å; F421-F434 HydrophobicContact CE1-CD2 3.68Å; F421-F434 HydrophobicContact CE1-CE2 4.04Å; F421-F434 HydrophobicContact CE1-CG 4.48Å; I429-F434 HydrophobicContact CG2-CB 3.91Å; I429-F434 HydrophobicContact CG2-CD2 4.32Å; S430-F434 WeakPolarHBondContact O-CB 3.42Å; S430-F434 PolarHBondContact O-N 3.16Å; F434-L438 HydrophobicContact CD1-CD1 3.71Å; F434-L438 HydrophobicContact CD2-CD1 4.04Å; F434-L438 HydrophobicContact CE1-CD1 3.32Å; F434-L438 HydrophobicContact CE2-CD1 3.67Å; F434-L438 HydrophobicContact CG-CD1 4.06Å; F434-L438 HydrophobicContact CZ-CD1 3.3Å; F434-L438 WeakPolarHBondContact O-CB 3.43Å; F434-L438 PolarHBondContact O-N 3.16Å; F434-L438 VanDerWaalsContact O-N 3.17Å; F434-M449 HydrophobicContact CD1-CB 4.1Å; F434-M449 HydrophobicContact CE1-CB 4.03Å; F434-L452 HydrophobicContact CE1-CB 4.41Å; F434-L452 HydrophobicContact CE1-CD2 4.25Å; F434-L452 HydrophobicContact CE1-CG 4.22Å; F434-L452 HydrophobicContact CZ-CD2 4.06Å; F434-L452 HydrophobicContact CZ-CG 4.1Å; F434-F453 HydrophobicContact CB-CD2 3.76Å; F434-F453 HydrophobicContact CB-CE2 4.1Å; F434-F453 HydrophobicContact CD1-CB 3.96Å; F434-F453 AromaticContact CD1-CD2 3.77Å; F434-F453 HydrophobicContact CD1-CD2 3.77Å; F434-F453 HydrophobicContact CD1-CG 4.38Å; F434-F453 HydrophobicContact CD2-CD2 4.44Å; F434-F453 HydrophobicContact CE1-CB 4.09Å; F434-F453 HydrophobicContact CE1-CD2 4.46Å; F434-F453 AromaticContact CG-CD2 3.75Å; F434-F453 HydrophobicContact CG-CD2 3.75Å; F434-F453 HydrophobicContact CG-CE2 4.47Å; F434-I456 HydrophobicContact CE2-CD1 3.75Å; F434-I456 HydrophobicContact CZ-CD1 3.53Å; F434-I464 HydrophobicContact CD2-CD1 4.04Å; F434-I464 HydrophobicContact CE2-CD1 4.14Å; F434-I464 HydrophobicContact CG-CD1 4.5Å; F434-F483 HydrophobicContact CE2-CE1 4.37Å
435N76.6Confident74.7Confident23 Ų2345.5 Ų45.512%0.12329%0.286CS..Hα-helixtrans-66-47.3175.3-85.3-59.6000112L431 S432 E433 L437 R439 M449L431-N435 WeakPolarHBondContact CD1-ND2 3.37Å; L431-N435 WeakPolarHBondContact O-CB 3.49Å; L431-N435 PolarHBondContact O-N 3.03Å; L431-N435 VanDerWaalsContact O-N 3.07Å; L431-N435 PolarHBondContact O-ND2 3.3Å; S432-N435 PolarHBondContact O-N 3.46Å; E433-N435 VanDerWaalsContact C-N 3.31Å; E433-N435 PolarHBondContact O-N 3.22Å; N435-L437 VanDerWaalsContact C-N 3.32Å; N435-L437 PolarHBondContact O-N 3.22Å; N435-R439 VanDerWaalsContact O-CB 3.27Å; N435-R439 WeakPolarHBondContact O-CB 3.35Å; N435-R439 WeakPolarHBondContact O-CD 3.4Å; N435-R439 WeakPolarHBondContact O-CG 3.36Å; N435-R439 PolarHBondContact O-N 3.04Å; N435-M449 VanDerWaalsContact OD1-CB 3.31Å; N435-M449 WeakPolarHBondContact OD1-CB 3.33Å; N435-M449 PolarHBondContact OD1-N 3.42Å
436A72.1Confident73.8Confident53 Ų5346.6 Ų46.644%0.43829%0.291SS..Hα-helixtrans-59-45.9-176.800000111.4S432 E433 S440S432-A436 WeakPolarHBondContact O-CB 3.41Å; S432-A436 PolarHBondContact O-N 3.29Å; E433-A436 PolarHBondContact O-N 3.41Å; A436-S440 PolarHBondContact O-N 3.24Å; A436-S440 VanDerWaalsContact O-N 3.15Å
437L69.1Low72.8Confident4 Ų443.2 Ų43.22%0.02127%0.273CS..Hα-helixtrans-73.3-43.4-176.4-161159.3000112L420 F421 E433 N435 R439 S440 A441 Y486L420-L437 VanDerWaalsContact C-CD1 3.45Å; L420-L437 HydrophobicContact CB-CD1 4.34Å; L420-L437 WeakPolarHBondContact O-CD1 3.41Å; F421-L437 VanDerWaalsContact CA-CD1 3.45Å; F421-L437 HydrophobicContact CB-CD1 4.13Å; F421-L437 HydrophobicContact CD1-CB 4.05Å; F421-L437 HydrophobicContact CD1-CD1 4.05Å; F421-L437 HydrophobicContact CD1-CD2 4.43Å; F421-L437 HydrophobicContact CD1-CG 4.41Å; F421-L437 HydrophobicContact CD2-CD1 3.65Å; F421-L437 HydrophobicContact CD2-CD2 4.06Å; F421-L437 HydrophobicContact CD2-CG 4.39Å; F421-L437 HydrophobicContact CE1-CB 4Å; F421-L437 HydrophobicContact CE1-CD1 4.4Å; F421-L437 HydrophobicContact CE1-CD2 3.96Å; F421-L437 HydrophobicContact CE1-CG 4.34Å; F421-L437 HydrophobicContact CE2-CD1 4.03Å; F421-L437 HydrophobicContact CE2-CD2 3.53Å; F421-L437 HydrophobicContact CE2-CG 4.32Å; F421-L437 HydrophobicContact CG-CD1 3.67Å; F421-L437 HydrophobicContact CG-CD2 4.49Å; F421-L437 HydrophobicContact CG-CG 4.45Å; F421-L437 HydrophobicContact CZ-CB 4.42Å; F421-L437 HydrophobicContact CZ-CD1 4.4Å; F421-L437 HydrophobicContact CZ-CD2 3.49Å; F421-L437 VanDerWaalsContact CZ-CD2 3.49Å; F421-L437 HydrophobicContact CZ-CG 4.31Å; E433-L437 WeakPolarHBondContact O-CB 3.36Å; E433-L437 PolarHBondContact O-N 3.45Å; N435-L437 VanDerWaalsContact C-N 3.32Å; N435-L437 PolarHBondContact O-N 3.22Å; L437-R439 VanDerWaalsContact C-N 3.35Å; L437-R439 PolarHBondContact O-N 2.97Å; L437-S440 WeakPolarHBondContact O-CB 3.37Å; L437-S440 PolarHBondContact O-N 3.42Å; L437-S440 VanDerWaalsContact O-N 3.14Å; L437-A441 HydrophobicContact CD2-CB 4.39Å; L437-A441 WeakPolarHBondContact O-CB 3.46Å; L437-A441 PolarHBondContact O-N 2.95Å; L437-Y486 HydrophobicContact CD1-CD1 4.03Å; L437-Y486 HydrophobicContact CD1-CE1 3.61Å; L437-Y486 HydrophobicContact CD2-CD1 3.52Å; L437-Y486 HydrophobicContact CD2-CD2 3.71Å; L437-Y486 HydrophobicContact CD2-CE1 3.75Å; L437-Y486 HydrophobicContact CD2-CE2 3.92Å; L437-Y486 HydrophobicContact CD2-CG 3.48Å; L437-Y486 VanDerWaalsContact CD2-CG 3.48Å; L437-Y486 HydrophobicContact CG-CD1 4.02Å; L437-Y486 HydrophobicContact CG-CD2 4.33Å; L437-Y486 HydrophobicContact CG-CE1 3.69Å; L437-Y486 HydrophobicContact CG-CE2 4.02Å; L437-Y486 HydrophobicContact CG-CG 4.31Å
438L68.6Low72.2Confident5 Ų546.5 Ų46.53%0.02628%0.281CS..Hα-helixtrans-67.2-34.5177.5-76.4162.8000113F421 F434 S440 A441 L442 M449F421-L438 HydrophobicContact CE1-CD1 4.3Å; F421-L438 HydrophobicContact CE1-CG 3.98Å; F421-L438 HydrophobicContact CZ-CD2 4.24Å; F421-L438 HydrophobicContact CZ-CG 4.1Å; F434-L438 HydrophobicContact CD1-CD1 3.71Å; F434-L438 HydrophobicContact CD2-CD1 4.04Å; F434-L438 HydrophobicContact CE1-CD1 3.32Å; F434-L438 HydrophobicContact CE2-CD1 3.67Å; F434-L438 HydrophobicContact CG-CD1 4.06Å; F434-L438 HydrophobicContact CZ-CD1 3.3Å; F434-L438 WeakPolarHBondContact O-CB 3.43Å; F434-L438 PolarHBondContact O-N 3.16Å; F434-L438 VanDerWaalsContact O-N 3.17Å; L438-S440 VanDerWaalsContact C-N 3.27Å; L438-S440 PolarHBondContact O-N 3.46Å; L438-A441 PolarHBondContact O-N 3.32Å; L438-L442 VanDerWaalsContact O-CB 3.26Å; L438-L442 WeakPolarHBondContact O-CB 3.31Å; L438-L442 WeakPolarHBondContact O-CG 3.36Å; L438-L442 PolarHBondContact O-N 2.86Å; L438-M449 HydrophobicContact CB-CE 3.43Å; L438-M449 VanDerWaalsContact CB-CE 3.43Å; L438-M449 HydrophobicContact CB-CG 4.47Å; L438-M449 HydrophobicContact CD1-CE 3.81Å; L438-M449 HydrophobicContact CD1-CG 4.31Å; L438-M449 HydrophobicContact CD2-CE 4.3Å; L438-M449 HydrophobicContact CG-CE 4.03Å
439R70.6Confident71.5Confident77 Ų7742.2 Ų42.229%0.29126%0.263SS..Hα-helixtrans-60.7-40171.5-73.1175.3-174.2-134.70.7111.3N435 L437 G443 V444 P445 M447N435-R439 VanDerWaalsContact O-CB 3.27Å; N435-R439 WeakPolarHBondContact O-CB 3.35Å; N435-R439 WeakPolarHBondContact O-CD 3.4Å; N435-R439 WeakPolarHBondContact O-CG 3.36Å; N435-R439 PolarHBondContact O-N 3.04Å; L437-R439 VanDerWaalsContact C-N 3.35Å; L437-R439 PolarHBondContact O-N 2.97Å; R439-G443 WeakPolarHBondContact O-CA 3.31Å; R439-G443 PolarHBondContact O-N 3.23Å; R439-V444 WeakPolarHBondContact CA-O 3.32Å; R439-V444 VanDerWaalsContact CB-O 3.3Å; R439-V444 WeakPolarHBondContact CB-O 3.46Å; R439-V444 VanDerWaalsContact CG-O 3.25Å; R439-V444 WeakPolarHBondContact CG-O 3.21Å; R439-V444 PolarHBondContact O-N 3.23Å; R439-P445 PolarHBondContact NH1-O 3.46Å; R439-M447 HydrophobicContact CG-CB 4.37Å; R439-M447 VanDerWaalsContact CZ-O 3.25Å; R439-M447 PolarHBondContact NE-O 2.97Å; R439-M447 PolarHBondContact NH2-O 3.43Å
440S65.6Low71.3Confident73 Ų7344.5 Ų44.551%0.5128%0.277SS..Hα-helixtrans-68.4-49.7175.9-170.60000112A436 L437 L438 L442 G443A436-S440 PolarHBondContact O-N 3.24Å; A436-S440 VanDerWaalsContact O-N 3.15Å; L437-S440 WeakPolarHBondContact O-CB 3.37Å; L437-S440 PolarHBondContact O-N 3.42Å; L437-S440 VanDerWaalsContact O-N 3.14Å; L438-S440 VanDerWaalsContact C-N 3.27Å; L438-S440 PolarHBondContact O-N 3.46Å; S440-L442 VanDerWaalsContact C-N 3.34Å; S440-L442 PolarHBondContact O-N 3.46Å; S440-G443 PolarHBondContact O-N 2.9Å
441A62.4Low70.9Confident13 Ų1351.2 Ų51.211%0.10730%0.304CS..Hα-helixtrans-64.1-34.9-178.900000113.6L437 L438 Y486L437-A441 HydrophobicContact CD2-CB 4.39Å; L437-A441 WeakPolarHBondContact O-CB 3.46Å; L437-A441 PolarHBondContact O-N 2.95Å; L438-A441 PolarHBondContact O-N 3.32Å; A441-Y486 HydrophobicContact CB-CD2 3.71Å; A441-Y486 HydrophobicContact CB-CG 4.2Å
442L62.7Low70.5Confident11 Ų1148.5 Ų48.56%0.05829%0.29CS..Hα-helixtrans-95.3-6.8-179.8-65.9171.2000113.2L371 A376 L438 S440 V444 M447 M449 L482L371-L442 HydrophobicContact CD1-CD1 3.85Å; L371-L442 HydrophobicContact CD1-CD2 4.43Å; L371-L442 HydrophobicContact CD2-CD1 3.87Å; L371-L442 HydrophobicContact CG-CD1 4.45Å; A376-L442 HydrophobicContact CB-CB 4.38Å; A376-L442 HydrophobicContact CB-CD2 3.99Å; A376-L442 VanDerWaalsContact CB-O 3.27Å; A376-L442 WeakPolarHBondContact CB-O 3.47Å; L438-L442 VanDerWaalsContact O-CB 3.26Å; L438-L442 WeakPolarHBondContact O-CB 3.31Å; L438-L442 WeakPolarHBondContact O-CG 3.36Å; L438-L442 PolarHBondContact O-N 2.86Å; S440-L442 VanDerWaalsContact C-N 3.34Å; S440-L442 PolarHBondContact O-N 3.46Å; L442-V444 VanDerWaalsContact C-N 3.32Å; L442-V444 HydrophobicContact CB-CG2 4.49Å; L442-V444 WeakPolarHBondContact O-CG2 3.36Å; L442-V444 PolarHBondContact O-N 2.82Å; L442-M447 HydrophobicContact CB-CE 4.13Å; L442-M447 HydrophobicContact CD1-CE 3.86Å; L442-M447 HydrophobicContact CD1-SD 3.63Å; L442-M449 HydrophobicContact CD1-CE 3.71Å; L442-L482 HydrophobicContact CD2-CD2 3.73Å
443G62.6Low70.5Confident62 Ų6244.6 Ų44.664%0.63926%0.262SS*.THydrogen-bonded Turntrans63.132.5-178.600000114R439 S440R439-G443 WeakPolarHBondContact O-CA 3.31Å; R439-G443 PolarHBondContact O-N 3.23Å; S440-G443 PolarHBondContact O-N 2.9Å
444V59.8Low70.7Confident29 Ų2948.4 Ų48.418%0.17628%0.283CS..  trans-125111.8-178-173.60000110.7N374 R439 L442 D446 M447N374-V444 HydrophobicContact CB-CG2 3.52Å; R439-V444 WeakPolarHBondContact CA-O 3.32Å; R439-V444 VanDerWaalsContact CB-O 3.3Å; R439-V444 WeakPolarHBondContact CB-O 3.46Å; R439-V444 VanDerWaalsContact CG-O 3.25Å; R439-V444 WeakPolarHBondContact CG-O 3.21Å; R439-V444 PolarHBondContact O-N 3.23Å; L442-V444 VanDerWaalsContact C-N 3.32Å; L442-V444 HydrophobicContact CB-CG2 4.49Å; L442-V444 WeakPolarHBondContact O-CG2 3.36Å; L442-V444 PolarHBondContact O-N 2.82Å; V444-D446 PolarHBondContact O-N 3.14Å; V444-M447 HydrophobicContact CB-CB 4.44Å; V444-M447 HydrophobicContact CB-CE 3.47Å; V444-M447 VanDerWaalsContact CB-CE 3.47Å; V444-M447 HydrophobicContact CG1-CB 4.25Å; V444-M447 HydrophobicContact CG1-CE 3.87Å; V444-M447 HydrophobicContact CG2-CE 3.49Å; V444-M447 VanDerWaalsContact CG2-CE 3.49Å
445P58.3Low70.6Confident97 Ų9752 Ų5263%0.6330%0.299SS*.THydrogen-bonded Turntrans-76.1-13.9-171.826.8-32.7000115.2R439R439-P445 PolarHBondContact NH1-O 3.46Å
446D62.9Low70.9Confident145 Ų14551.1 Ų51.178%0.77530%0.295SS*.THydrogen-bonded Turntrans-123.332-173.7-75.1-35.8000114.5V444V444-D446 PolarHBondContact O-N 3.14Å
447M64.4Low71.6Confident5 Ų549 Ų493%0.02528%0.276CS..  trans-85.9117.4-177.3-162.1174.8-66.700112.5L371 P372 N374 R439 L442 V444 M449L371-M447 HydrophobicContact CD2-SD 3.83Å; P372-M447 VanDerWaalsContact CD-CE 3.5Å; P372-M447 WeakPolarHBondContact CD-SD 3.29Å; P372-M447 HydrophobicContact CG-CE 3.33Å; P372-M447 HydrophobicContact CG-CG 3.74Å; P372-M447 HydrophobicContact CG-SD 3.88Å; N374-M447 VanDerWaalsContact ND2-CE 3.28Å; N374-M447 WeakPolarHBondContact ND2-CE 3.48Å; R439-M447 HydrophobicContact CG-CB 4.37Å; R439-M447 VanDerWaalsContact CZ-O 3.25Å; R439-M447 PolarHBondContact NE-O 2.97Å; R439-M447 PolarHBondContact NH2-O 3.43Å; L442-M447 HydrophobicContact CB-CE 4.13Å; L442-M447 HydrophobicContact CD1-CE 3.86Å; L442-M447 HydrophobicContact CD1-SD 3.63Å; V444-M447 HydrophobicContact CB-CB 4.44Å; V444-M447 HydrophobicContact CB-CE 3.47Å; V444-M447 VanDerWaalsContact CB-CE 3.47Å; V444-M447 HydrophobicContact CG1-CB 4.25Å; V444-M447 HydrophobicContact CG1-CE 3.87Å; V444-M447 HydrophobicContact CG2-CE 3.49Å; V444-M447 VanDerWaalsContact CG2-CE 3.49Å; M447-M449 HydrophobicContact CG-CE 3.87Å; M447-M449 HydrophobicContact CG-CG 4.34Å; M447-M449 HydrophobicContact CG-SD 3.68Å; M447-M449 PolarHBondContact O-N 3.37Å; M447-M449 HydrophobicContact SD-CE 3.07Å; M447-M449 WeakPolarHBondContact SD-CE 3.24Å; M447-M449 HydrophobicContact SD-SD 3.59Å
448D70.6Confident71.9Confident109 Ų10952.9 Ų52.958%0.58331%0.309SS*.  trans-82.6104.2173.4177.917000111.2T450D448-T450 VanDerWaalsContact OD1-CB 3.23Å; D448-T450 WeakPolarHBondContact OD1-CB 3.13Å; D448-T450 PolarHBondContact OD1-N 2.91Å; D448-T450 VanDerWaalsContact OD1-N 3.08Å; D448-T450 PolarHBondContact OD1-OG1 2.88Å
449M74.5Confident72.6Confident3 Ų357.6 Ų57.62%0.01533%0.334CS..  trans-977.4-179.1-57-64-14200113.8L371 F434 N435 L438 L442 M447 K451 L452 F453L371-M449 HydrophobicContact CD2-CE 3.36Å; L371-M449 HydrophobicContact CD2-SD 3.62Å; F434-M449 HydrophobicContact CD1-CB 4.1Å; F434-M449 HydrophobicContact CE1-CB 4.03Å; N435-M449 VanDerWaalsContact OD1-CB 3.31Å; N435-M449 WeakPolarHBondContact OD1-CB 3.33Å; N435-M449 PolarHBondContact OD1-N 3.42Å; L438-M449 HydrophobicContact CB-CE 3.43Å; L438-M449 VanDerWaalsContact CB-CE 3.43Å; L438-M449 HydrophobicContact CB-CG 4.47Å; L438-M449 HydrophobicContact CD1-CE 3.81Å; L438-M449 HydrophobicContact CD1-CG 4.31Å; L438-M449 HydrophobicContact CD2-CE 4.3Å; L438-M449 HydrophobicContact CG-CE 4.03Å; L442-M449 HydrophobicContact CD1-CE 3.71Å; M447-M449 HydrophobicContact CG-CE 3.87Å; M447-M449 HydrophobicContact CG-CG 4.34Å; M447-M449 HydrophobicContact CG-SD 3.68Å; M447-M449 PolarHBondContact O-N 3.37Å; M447-M449 HydrophobicContact SD-CE 3.07Å; M447-M449 WeakPolarHBondContact SD-CE 3.24Å; M447-M449 HydrophobicContact SD-SD 3.59Å; M449-K451 PolarHBondContact O-N 3.36Å; M449-K451 VanDerWaalsContact O-N 3.11Å; M449-L452 PolarHBondContact O-N 3.25Å; M449-F453 PolarHBondContact O-N 3.07Å
450T79.8Confident73.2Confident47 Ų4756.7 Ų56.729%0.28835%0.348SS..Hα-helixtrans-56.4-34.8-173.7-51.20000112.4L431 D448 N454L431-T450 HydrophobicContact CD2-CG2 4.29Å; D448-T450 VanDerWaalsContact OD1-CB 3.23Å; D448-T450 WeakPolarHBondContact OD1-CB 3.13Å; D448-T450 PolarHBondContact OD1-N 2.91Å; D448-T450 VanDerWaalsContact OD1-N 3.08Å; D448-T450 PolarHBondContact OD1-OG1 2.88Å; T450-N454 WeakPolarHBondContact O-CB 3.31Å; T450-N454 VanDerWaalsContact O-CG 3.22Å; T450-N454 PolarHBondContact O-N 3.32Å; T450-N454 VanDerWaalsContact O-N 3.11Å; T450-N454 PolarHBondContact O-ND2 2.75Å
451K78.2Confident74.2Confident159 Ų15956 Ų5669%0.69134%0.344SS*.Hα-helixtrans-69.4-39.7177.5-68.1-178-177.3174.70113.3M449 E455M449-K451 PolarHBondContact O-N 3.36Å; M449-K451 VanDerWaalsContact O-N 3.11Å; K451-E455 PolarHBondContact O-N 2.74Å
452L76.8Confident75.3Confident3 Ų357 Ų572%0.01636%0.356CS..Hα-helixtrans-71.7-42177.7-179.361.3000110F434 M449 N454 E455 I456 F472 Y479F434-L452 HydrophobicContact CE1-CB 4.41Å; F434-L452 HydrophobicContact CE1-CD2 4.25Å; F434-L452 HydrophobicContact CE1-CG 4.22Å; F434-L452 HydrophobicContact CZ-CD2 4.06Å; F434-L452 HydrophobicContact CZ-CG 4.1Å; M449-L452 PolarHBondContact O-N 3.25Å; L452-N454 PolarHBondContact O-N 3.34Å; L452-E455 WeakPolarHBondContact O-CB 3.41Å; L452-E455 PolarHBondContact O-N 3.06Å; L452-E455 VanDerWaalsContact O-N 3.08Å; L452-I456 HydrophobicContact CG-CD1 4.4Å; L452-I456 WeakPolarHBondContact O-CG1 3.45Å; L452-I456 PolarHBondContact O-N 3.31Å; L452-F472 HydrophobicContact CD1-CZ 3.88Å; L452-Y479 HydrophobicContact CD1-CD1 4.42Å; L452-Y479 HydrophobicContact CD1-CE1 3.66Å; L452-Y479 HydrophobicContact CD2-CD1 4.45Å; L452-Y479 HydrophobicContact CD2-CE1 4.03Å
453F83.2Confident76.5Confident3 Ų360.5 Ų60.51%0.01337%0.37CS..Hα-helixtrans-55.5-48.5175.5-176.3-92000112.2I429 L431 F434 M449 E455 I456 N457 G462 I464I429-F453 WeakPolarHBondContact O-CE2 3.34Å; L431-F453 HydrophobicContact CB-CD1 4.28Å; L431-F453 HydrophobicContact CB-CD2 4.34Å; L431-F453 HydrophobicContact CB-CE1 4.09Å; L431-F453 HydrophobicContact CB-CE2 4.16Å; L431-F453 HydrophobicContact CB-CG 4.4Å; L431-F453 HydrophobicContact CB-CZ 4.02Å; L431-F453 HydrophobicContact CD1-CB 3.58Å; L431-F453 HydrophobicContact CD1-CD1 3.83Å; L431-F453 HydrophobicContact CD1-CD2 3.91Å; L431-F453 HydrophobicContact CD1-CE1 4.49Å; L431-F453 HydrophobicContact CD1-CG 3.49Å; L431-F453 VanDerWaalsContact CD1-CG 3.49Å; F434-F453 HydrophobicContact CB-CD2 3.76Å; F434-F453 HydrophobicContact CB-CE2 4.1Å; F434-F453 HydrophobicContact CD1-CB 3.96Å; F434-F453 AromaticContact CD1-CD2 3.77Å; F434-F453 HydrophobicContact CD1-CD2 3.77Å; F434-F453 HydrophobicContact CD1-CG 4.38Å; F434-F453 HydrophobicContact CD2-CD2 4.44Å; F434-F453 HydrophobicContact CE1-CB 4.09Å; F434-F453 HydrophobicContact CE1-CD2 4.46Å; F434-F453 AromaticContact CG-CD2 3.75Å; F434-F453 HydrophobicContact CG-CD2 3.75Å; F434-F453 HydrophobicContact CG-CE2 4.47Å; M449-F453 PolarHBondContact O-N 3.07Å; F453-E455 PolarHBondContact O-N 2.83Å; F453-I456 PolarHBondContact O-N 3.46Å; F453-N457 HydrophobicContact CD1-CB 4.45Å; F453-N457 HydrophobicContact CE1-CB 4.27Å; F453-N457 VanDerWaalsContact O-CB 3.29Å; F453-N457 WeakPolarHBondContact O-CB 3.49Å; F453-N457 PolarHBondContact O-N 2.94Å; F453-G462 WeakPolarHBondContact CZ-O 3.18Å; F453-I464 HydrophobicContact CD2-CD1 3.42Å; F453-I464 VanDerWaalsContact CD2-CD1 3.42Å; F453-I464 HydrophobicContact CD2-CG1 4.07Å; F453-I464 HydrophobicContact CE2-CD1 3.5Å; F453-I464 HydrophobicContact CE2-CG1 3.72Å; F453-I464 HydrophobicContact CG-CD1 4.21Å; F453-I464 HydrophobicContact CZ-CD1 4.34Å; F453-I464 HydrophobicContact CZ-CG1 4.11Å
454N84Confident77.7Confident95 Ų9557.6 Ų57.651%0.50834%0.34SS..Hα-helixtrans-67.6-18.4179.3-70.7-20.1000114T450 L452T450-N454 WeakPolarHBondContact O-CB 3.31Å; T450-N454 VanDerWaalsContact O-CG 3.22Å; T450-N454 PolarHBondContact O-N 3.32Å; T450-N454 VanDerWaalsContact O-N 3.11Å; T450-N454 PolarHBondContact O-ND2 2.75Å; L452-N454 PolarHBondContact O-N 3.34Å
455E79.6Confident79.2Confident76 Ų7658.4 Ų58.436%0.35535%0.345SS..Hα-helixtrans-82.1-31.5175.5-173.4169.6-131.500112K370 K451 L452 F453 F472K370-E455 WeakPolarHBondContact CE-OE2 3.42Å; K370-E455 IonicContact NZ-OE1 2.7Å; K370-E455 PolarHBondContact NZ-OE1 3.24Å; K370-E455 IonicContact NZ-OE2 2.71Å; K370-E455 PolarHBondContact NZ-OE2 3.42Å; K451-E455 PolarHBondContact O-N 2.74Å; L452-E455 WeakPolarHBondContact O-CB 3.41Å; L452-E455 PolarHBondContact O-N 3.06Å; L452-E455 VanDerWaalsContact O-N 3.08Å; F453-E455 PolarHBondContact O-N 2.83Å; E455-F472 HydrophobicContact CG-CE2 4.22Å
456I82.8Confident80.5Confident4 Ų456 Ų562%0.02133%0.325CS..Hα-helixtrans-77.3-43.1174.3-54.6171.8000110.2F434 L452 F453 A458 I464 F472F434-I456 HydrophobicContact CE2-CD1 3.75Å; F434-I456 HydrophobicContact CZ-CD1 3.53Å; L452-I456 HydrophobicContact CG-CD1 4.4Å; L452-I456 WeakPolarHBondContact O-CG1 3.45Å; L452-I456 PolarHBondContact O-N 3.31Å; F453-I456 PolarHBondContact O-N 3.46Å; I456-A458 PolarHBondContact O-N 2.86Å; I456-I464 HydrophobicContact CB-CD1 3.79Å; I456-I464 HydrophobicContact CB-CG1 4.11Å; I456-I464 HydrophobicContact CD1-CD1 4.06Å; I456-I464 HydrophobicContact CG2-CB 4.36Å; I456-I464 HydrophobicContact CG2-CD1 3.79Å; I456-I464 HydrophobicContact CG2-CG1 3.89Å; I456-I464 HydrophobicContact CG2-CG2 3.55Å; I456-F472 HydrophobicContact CB-CD2 4.3Å; I456-F472 HydrophobicContact CB-CG 4.28Å; I456-F472 HydrophobicContact CD1-CD1 3.97Å; I456-F472 HydrophobicContact CD1-CE1 3.96Å; I456-F472 HydrophobicContact CD1-CG 4.35Å; I456-F472 HydrophobicContact CD1-CZ 4.33Å; I456-F472 HydrophobicContact CG1-CB 4.34Å; I456-F472 HydrophobicContact CG1-CD1 3.73Å; I456-F472 HydrophobicContact CG1-CD2 3.64Å; I456-F472 HydrophobicContact CG1-CE1 3.84Å; I456-F472 HydrophobicContact CG1-CE2 3.75Å; I456-F472 HydrophobicContact CG1-CG 3.62Å; I456-F472 HydrophobicContact CG1-CZ 3.85Å; I456-F472 HydrophobicContact CG2-CB 3.91Å; I456-F472 HydrophobicContact CG2-CG 4.13Å
457N86.7Confident81.6Confident8 Ų853.4 Ų53.44%0.04331%0.311CS..  trans-75.269.3176.4173.427.3000110.7F453 D459 G460 S461 G462 F463 I464F453-N457 HydrophobicContact CD1-CB 4.45Å; F453-N457 HydrophobicContact CE1-CB 4.27Å; F453-N457 VanDerWaalsContact O-CB 3.29Å; F453-N457 WeakPolarHBondContact O-CB 3.49Å; F453-N457 PolarHBondContact O-N 2.94Å; N457-D459 VanDerWaalsContact C-N 3.27Å; N457-D459 PolarHBondContact O-N 3.5Å; N457-D459 PolarHBondContact OD1-OD1 2.86Å; N457-G460 PolarHBondContact O-N 3.32Å; N457-G460 WeakPolarHBondContact OD1-CA 3.46Å; N457-G460 PolarHBondContact OD1-N 2.87Å; N457-S461 PolarHBondContact OD1-N 3.46Å; N457-S461 PolarHBondContact OD1-OG 3.48Å; N457-G462 WeakPolarHBondContact ND2-CA 3.27Å; N457-G462 PolarHBondContact ND2-N 3.25Å; N457-G462 VanDerWaalsContact ND2-N 3.16Å; N457-F463 PolarHBondContact OD1-O 2.89Å; N457-I464 HydrophobicContact CB-CG1 4.16Å
458A76.5Confident82.7Confident87 Ų8753.8 Ų53.872%0.71931%0.313SS*.THydrogen-bonded Turntrans-67.8-26.3-173.500000113I456 G460I456-A458 PolarHBondContact O-N 2.86Å; A458-G460 VanDerWaalsContact C-N 3.35Å
459D82.8Confident83.2Confident104 Ų10448.6 Ų48.656%0.55629%0.285SS*.THydrogen-bonded Turntrans-84.6-9.1178.577.2-2.3000113.7N457 S461 E468N457-D459 VanDerWaalsContact C-N 3.27Å; N457-D459 PolarHBondContact O-N 3.5Å; N457-D459 PolarHBondContact OD1-OD1 2.86Å; D459-S461 PolarHBondContact O-N 3.36Å; D459-S461 WeakPolarHBondContact OD1-CB 3.41Å; D459-S461 PolarHBondContact OD1-N 3.17Å; D459-S461 PolarHBondContact OD1-OG 2.99Å; D459-E468 VanDerWaalsContact CG-OE1 3.27Å; D459-E468 PolarHBondContact N-OE1 3.19Å
460G83.5Confident83.5Confident57 Ų5750.9 Ų50.959%0.58830%0.296SS*.  trans69.317.9179.300000113.7N457 A458 G462N457-G460 PolarHBondContact O-N 3.32Å; N457-G460 WeakPolarHBondContact OD1-CA 3.46Å; N457-G460 PolarHBondContact OD1-N 2.87Å; A458-G460 VanDerWaalsContact C-N 3.35Å; G460-G462 PolarHBondContact O-N 3.05Å
461S85.8Confident83.6Confident60 Ų6053.5 Ų53.542%0.4231%0.306SS..SBendtrans-64.3-20.7-178.962.20000113.4N457 D459 F463N457-S461 PolarHBondContact OD1-N 3.46Å; N457-S461 PolarHBondContact OD1-OG 3.48Å; D459-S461 PolarHBondContact O-N 3.36Å; D459-S461 WeakPolarHBondContact OD1-CB 3.41Å; D459-S461 PolarHBondContact OD1-N 3.17Å; D459-S461 PolarHBondContact OD1-OG 2.99Å; S461-F463 PolarHBondContact OG-N 3.19Å; S461-F463 PolarHBondContact OG-O 2.9Å
462G85.3Confident83.7Confident34 Ų3446.4 Ų46.435%0.35128%0.275SS..SBendtrans93.31.6-17900000113.1F453 N457 G460F453-G462 WeakPolarHBondContact CZ-O 3.18Å; N457-G462 WeakPolarHBondContact ND2-CA 3.27Å; N457-G462 PolarHBondContact ND2-N 3.25Å; N457-G462 VanDerWaalsContact ND2-N 3.16Å; G460-G462 PolarHBondContact O-N 3.05Å
463F89.6Confident83.7Confident84 Ų8446.3 Ų46.337%0.36827%0.274SS..EExtended strand (participates in β ladder)trans-136.2155177.5-57.7-90.1000109.1K428 I429 N457 S461K428-F463 HydrophobicContact CB-CB 3.98Å; K428-F463 HydrophobicContact CB-CD1 4.47Å; K428-F463 HydrophobicContact CB-CG 4.49Å; K428-F463 HydrophobicContact CD-CB 4.21Å; K428-F463 HydrophobicContact CD-CG 4.35Å; I429-F463 WeakPolarHBondContact O-CA 3.35Å; N457-F463 PolarHBondContact OD1-O 2.89Å; S461-F463 PolarHBondContact OG-N 3.19Å; S461-F463 PolarHBondContact OG-O 2.9Å
464I87.3Confident83.2Confident0 Ų049.7 Ų49.70%030%0.298CS..EExtended strand (participates in β ladder)trans-101120.4173.6-63.8164.2000108.4K428 I429 F434 F453 I456 N457 E468 F469K428-I464 WeakPolarHBondContact CA-O 3.39Å; I429-I464 HydrophobicContact CB-CB 4.21Å; I429-I464 PolarHBondContact N-O 3Å; I429-I464 PolarHBondContact O-N 3.43Å; F434-I464 HydrophobicContact CD2-CD1 4.04Å; F434-I464 HydrophobicContact CE2-CD1 4.14Å; F434-I464 HydrophobicContact CG-CD1 4.5Å; F453-I464 HydrophobicContact CD2-CD1 3.42Å; F453-I464 VanDerWaalsContact CD2-CD1 3.42Å; F453-I464 HydrophobicContact CD2-CG1 4.07Å; F453-I464 HydrophobicContact CE2-CD1 3.5Å; F453-I464 HydrophobicContact CE2-CG1 3.72Å; F453-I464 HydrophobicContact CG-CD1 4.21Å; F453-I464 HydrophobicContact CZ-CD1 4.34Å; F453-I464 HydrophobicContact CZ-CG1 4.11Å; I456-I464 HydrophobicContact CB-CD1 3.79Å; I456-I464 HydrophobicContact CB-CG1 4.11Å; I456-I464 HydrophobicContact CD1-CD1 4.06Å; I456-I464 HydrophobicContact CG2-CB 4.36Å; I456-I464 HydrophobicContact CG2-CD1 3.79Å; I456-I464 HydrophobicContact CG2-CG1 3.89Å; I456-I464 HydrophobicContact CG2-CG2 3.55Å; N457-I464 HydrophobicContact CB-CG1 4.16Å; I464-E468 HydrophobicContact CG2-CB 4.27Å; I464-F469 HydrophobicContact CG2-CB 3.92Å; I464-F469 HydrophobicContact CG2-CD2 4.43Å
465T90.1Very high82.7Confident47 Ų4748.6 Ų48.629%0.28830%0.299SS..EExtended strand (participates in β ladder)trans-81.8160.5172.962.40000111.7F418 N467 E468 F469F418-T465 VanDerWaalsContact CE2-C 3.43Å; T465-N467 PolarHBondContact O-N 2.92Å; T465-E468 WeakPolarHBondContact CB-OE2 3.34Å; T465-E468 PolarHBondContact N-OE2 2.9Å; T465-E468 PolarHBondContact O-N 3.34Å; T465-E468 VanDerWaalsContact O-N 3.14Å; T465-E468 VanDerWaalsContact OG1-CG 3.31Å; T465-E468 WeakPolarHBondContact OG1-CG 3.49Å; T465-E468 PolarHBondContact OG1-N 3.26Å; T465-E468 PolarHBondContact OG1-OE2 2.86Å; T465-F469 WeakPolarHBondContact O-CB 3.38Å; T465-F469 PolarHBondContact O-N 3.1Å
466F85.6Confident82.4Confident47 Ų4747.8 Ų47.821%0.20629%0.294CS..Hα-helixtrans-56.6-38176.5177.7-107.1000112.5E411 L414 K415 F418 F469 Q470E411-F466 HydrophobicContact CG-CZ 4.48Å; L414-F466 HydrophobicContact CB-CE2 4.36Å; K415-F466 HydrophobicContact CB-CE2 4.17Å; K415-F466 HydrophobicContact CB-CZ 4.38Å; K415-F466 HydrophobicContact CD-CZ 4.25Å; K415-F466 HydrophobicContact CG-CD2 4.31Å; K415-F466 HydrophobicContact CG-CE1 4Å; K415-F466 HydrophobicContact CG-CE2 3.46Å; K415-F466 VanDerWaalsContact CG-CE2 3.46Å; K415-F466 HydrophobicContact CG-CZ 3.28Å; F418-F466 HydrophobicContact CB-CD2 3.75Å; F418-F466 HydrophobicContact CB-CE2 4.23Å; F418-F466 HydrophobicContact CD1-CB 4.21Å; F418-F466 HydrophobicContact CD1-CD2 4.12Å; F418-F466 HydrophobicContact CD2-CB 4.16Å; F418-F466 AromaticContact CD2-CD2 3.99Å; F418-F466 HydrophobicContact CD2-CD2 3.99Å; F418-F466 HydrophobicContact CE1-CB 4.07Å; F418-F466 HydrophobicContact CE2-CB 4.03Å; F418-F466 HydrophobicContact CG-CB 4.25Å; F418-F466 AromaticContact CG-CD2 3.67Å; F418-F466 HydrophobicContact CG-CD2 3.67Å; F418-F466 HydrophobicContact CG-CG 4.46Å; F418-F466 HydrophobicContact CZ-CB 3.97Å; F418-F466 VanDerWaalsContact CZ-N 3.33Å; F466-F469 PolarHBondContact O-N 2.87Å; F466-Q470 HydrophobicContact CZ-CB 4.39Å; F466-Q470 VanDerWaalsContact O-CB 3.28Å; F466-Q470 WeakPolarHBondContact O-CB 3.33Å; F466-Q470 PolarHBondContact O-N 3.29Å
467N86.4Confident81.7Confident90 Ų9048.5 Ų48.548%0.48130%0.3SS..Hα-helixtrans-66.5-41.8178.6-174.762.5000111.7T465 Q470 M471T465-N467 PolarHBondContact O-N 2.92Å; N467-Q470 PolarHBondContact O-N 2.93Å; N467-M471 WeakPolarHBondContact O-CB 3.49Å; N467-M471 VanDerWaalsContact O-CG 3.26Å; N467-M471 WeakPolarHBondContact O-CG 3.27Å; N467-M471 PolarHBondContact O-N 2.82Å
468E87.1Confident80.7Confident12 Ų1248.8 Ų48.86%0.05630%0.3CS..Hα-helixtrans-65.2-43.3174.5-71.5168.2130.800111.8D459 I464 T465 Q470 M471 F472D459-E468 VanDerWaalsContact CG-OE1 3.27Å; D459-E468 PolarHBondContact N-OE1 3.19Å; I464-E468 HydrophobicContact CG2-CB 4.27Å; T465-E468 WeakPolarHBondContact CB-OE2 3.34Å; T465-E468 PolarHBondContact N-OE2 2.9Å; T465-E468 PolarHBondContact O-N 3.34Å; T465-E468 VanDerWaalsContact O-N 3.14Å; T465-E468 VanDerWaalsContact OG1-CG 3.31Å; T465-E468 WeakPolarHBondContact OG1-CG 3.49Å; T465-E468 PolarHBondContact OG1-N 3.26Å; T465-E468 PolarHBondContact OG1-OE2 2.86Å; E468-Q470 VanDerWaalsContact C-N 3.35Å; E468-Q470 PolarHBondContact O-N 3.36Å; E468-M471 HydrophobicContact CG-CE 4.44Å; E468-M471 PolarHBondContact O-N 2.76Å; E468-F472 VanDerWaalsContact O-CB 3.26Å; E468-F472 WeakPolarHBondContact O-CB 3.19Å; E468-F472 PolarHBondContact O-N 3.27Å
469F81.7Confident80.3Confident1 Ų144.8 Ų44.80%0.00427%0.267CS..Hα-helixtrans-58.5-46.1174.6-172.2-98000111.7L414 A417 F418 I429 I464 T465 F466 F472 A473 F483L414-F469 HydrophobicContact CD2-CE1 4.03Å; A417-F469 HydrophobicContact CB-CE1 4.22Å; A417-F469 HydrophobicContact CB-CZ 4.22Å; F418-F469 HydrophobicContact CB-CD1 4.2Å; F418-F469 HydrophobicContact CB-CE1 4.37Å; F418-F469 HydrophobicContact CD2-CB 3.78Å; F418-F469 HydrophobicContact CD2-CD1 4.12Å; F418-F469 HydrophobicContact CD2-CD2 4.42Å; F418-F469 AromaticContact CD2-CG 3.87Å; F418-F469 HydrophobicContact CD2-CG 3.87Å; F418-F469 HydrophobicContact CE2-CB 4.19Å; I429-F469 HydrophobicContact CD1-CD2 4.14Å; I429-F469 HydrophobicContact CD1-CE2 4.48Å; I464-F469 HydrophobicContact CG2-CB 3.92Å; I464-F469 HydrophobicContact CG2-CD2 4.43Å; T465-F469 WeakPolarHBondContact O-CB 3.38Å; T465-F469 PolarHBondContact O-N 3.1Å; F466-F469 PolarHBondContact O-N 2.87Å; F469-F472 PolarHBondContact O-N 2.88Å; F469-A473 WeakPolarHBondContact O-CB 3.11Å; F469-A473 PolarHBondContact O-N 3.28Å; F469-F483 HydrophobicContact CE2-CD1 4.09Å; F469-F483 HydrophobicContact CE2-CD2 4.42Å; F469-F483 AromaticContact CE2-CE1 3.97Å; F469-F483 HydrophobicContact CE2-CE1 3.97Å; F469-F483 HydrophobicContact CE2-CE2 4.31Å; F469-F483 HydrophobicContact CE2-CG 4.32Å; F469-F483 HydrophobicContact CE2-CZ 4.09Å; F469-F483 HydrophobicContact CZ-CB 4.34Å; F469-F483 HydrophobicContact CZ-CD1 4.04Å; F469-F483 HydrophobicContact CZ-CD2 4.07Å; F469-F483 HydrophobicContact CZ-CE1 4.37Å; F469-F483 HydrophobicContact CZ-CE2 4.38Å; F469-F483 AromaticContact CZ-CG 3.89Å; F469-F483 HydrophobicContact CZ-CG 3.89Å
470Q81.8Confident79.5Confident51 Ų5139.9 Ų39.924%0.23824%0.241CC..Hα-helixtrans-66.6-44178.5-174.6-179.941.200112.3L414 F466 N467 E468 F472 S474L414-Q470 HydrophobicContact CD1-CG 4.11Å; F466-Q470 HydrophobicContact CZ-CB 4.39Å; F466-Q470 VanDerWaalsContact O-CB 3.28Å; F466-Q470 WeakPolarHBondContact O-CB 3.33Å; F466-Q470 PolarHBondContact O-N 3.29Å; N467-Q470 PolarHBondContact O-N 2.93Å; E468-Q470 VanDerWaalsContact C-N 3.35Å; E468-Q470 PolarHBondContact O-N 3.36Å; Q470-F472 VanDerWaalsContact C-N 3.33Å; Q470-S474 VanDerWaalsContact O-CB 3.28Å; Q470-S474 WeakPolarHBondContact O-CB 3.32Å; Q470-S474 PolarHBondContact O-N 3.03Å; Q470-S474 PolarHBondContact O-OG 3.33Å
471M82Confident78.4Confident102 Ų10238.1 Ų38.150%0.50222%0.217SC..Hα-helixtrans-63.1-41.3176.3-75.8-166.9-57.200111.3N467 E468 S474 S475N467-M471 WeakPolarHBondContact O-CB 3.49Å; N467-M471 VanDerWaalsContact O-CG 3.26Å; N467-M471 WeakPolarHBondContact O-CG 3.27Å; N467-M471 PolarHBondContact O-N 2.82Å; E468-M471 HydrophobicContact CG-CE 4.44Å; E468-M471 PolarHBondContact O-N 2.76Å; M471-S474 PolarHBondContact O-N 3.37Å; M471-S475 WeakPolarHBondContact O-CB 3.39Å; M471-S475 PolarHBondContact O-N 2.61Å; M471-S475 PolarHBondContact O-OG 2.7Å
472F79.2Confident77.4Confident10 Ų1036 Ų364%0.04420%0.201CC..Hα-helixtrans-64.7-50.2176.8-176.1-96.1000111.5L452 E455 I456 E468 F469 Q470 S474 S475 H476 Y479L452-F472 HydrophobicContact CD1-CZ 3.88Å; E455-F472 HydrophobicContact CG-CE2 4.22Å; I456-F472 HydrophobicContact CB-CD2 4.3Å; I456-F472 HydrophobicContact CB-CG 4.28Å; I456-F472 HydrophobicContact CD1-CD1 3.97Å; I456-F472 HydrophobicContact CD1-CE1 3.96Å; I456-F472 HydrophobicContact CD1-CG 4.35Å; I456-F472 HydrophobicContact CD1-CZ 4.33Å; I456-F472 HydrophobicContact CG1-CB 4.34Å; I456-F472 HydrophobicContact CG1-CD1 3.73Å; I456-F472 HydrophobicContact CG1-CD2 3.64Å; I456-F472 HydrophobicContact CG1-CE1 3.84Å; I456-F472 HydrophobicContact CG1-CE2 3.75Å; I456-F472 HydrophobicContact CG1-CG 3.62Å; I456-F472 HydrophobicContact CG1-CZ 3.85Å; I456-F472 HydrophobicContact CG2-CB 3.91Å; I456-F472 HydrophobicContact CG2-CG 4.13Å; E468-F472 VanDerWaalsContact O-CB 3.26Å; E468-F472 WeakPolarHBondContact O-CB 3.19Å; E468-F472 PolarHBondContact O-N 3.27Å; F469-F472 PolarHBondContact O-N 2.88Å; Q470-F472 VanDerWaalsContact C-N 3.33Å; F472-S474 PolarHBondContact O-N 2.68Å; F472-S475 WeakPolarHBondContact CA-OG 3.47Å; F472-S475 PolarHBondContact O-N 3.43Å; F472-S475 VanDerWaalsContact O-N 3.12Å; F472-S475 PolarHBondContact O-OG 3.01Å; F472-H476 AromaticContact CD2-ND1 3.71Å; F472-H476 HydrophobicContact CE1-CB 4.37Å; F472-H476 AromaticContact CE2-ND1 3.68Å; F472-H476 HydrophobicContact CZ-CB 4.27Å; F472-H476 PolarHBondContact O-N 2.84Å; F472-H476 PolarHBondContact O-ND1 3.47Å; F472-Y479 HydrophobicContact CE1-CD1 4.33Å; F472-Y479 HydrophobicContact CE1-CD2 4.05Å; F472-Y479 HydrophobicContact CE1-CE2 4.47Å; F472-Y479 AromaticContact CE1-CG 3.96Å; F472-Y479 HydrophobicContact CE1-CG 3.96Å; F472-Y479 HydrophobicContact CZ-CD2 4.13Å; F472-Y479 HydrophobicContact CZ-CE2 4.1Å; F472-Y479 HydrophobicContact CZ-CG 4.36Å
473A76Confident76.4Confident0 Ų034.5 Ų34.50%019%0.185CC..Hα-helixtrans-60.7-34.8178.200000112.6N409 L414 F469 H476N409-A473 PolarHBondContact ND2-O 2.97Å; L414-A473 HydrophobicContact CD1-CB 4.17Å; L414-A473 HydrophobicContact CD2-CB 3.57Å; F469-A473 WeakPolarHBondContact O-CB 3.11Å; F469-A473 PolarHBondContact O-N 3.28Å; A473-H476 CarbonylContact O-C 3.42Å
474S74.6Confident75.1Confident74 Ų7431 Ų3152%0.51717%0.17SC..Hα-helixtrans-72.8-31.6177.1-59.70000113.4Q470 M471 F472Q470-S474 VanDerWaalsContact O-CB 3.28Å; Q470-S474 WeakPolarHBondContact O-CB 3.32Å; Q470-S474 PolarHBondContact O-N 3.03Å; Q470-S474 PolarHBondContact O-OG 3.33Å; M471-S474 PolarHBondContact O-N 3.37Å; F472-S474 PolarHBondContact O-N 2.68Å
475S73.4Confident73.9Confident73 Ų7332.7 Ų32.751%0.5118%0.181SC..Hα-helixtrans-89.2-23.4-18052.20000113.6M471 F472M471-S475 WeakPolarHBondContact O-CB 3.39Å; M471-S475 PolarHBondContact O-N 2.61Å; M471-S475 PolarHBondContact O-OG 2.7Å; F472-S475 WeakPolarHBondContact CA-OG 3.47Å; F472-S475 PolarHBondContact O-N 3.43Å; F472-S475 VanDerWaalsContact O-N 3.12Å; F472-S475 PolarHBondContact O-OG 3.01Å
476H71.9Confident72.5Confident58 Ų5832 Ų3227%0.26917%0.173SC..  trans-128.469.7179.7-5782.3000110.9F472 A473 E478 Y479F472-H476 AromaticContact CD2-ND1 3.71Å; F472-H476 HydrophobicContact CE1-CB 4.37Å; F472-H476 AromaticContact CE2-ND1 3.68Å; F472-H476 HydrophobicContact CZ-CB 4.27Å; F472-H476 PolarHBondContact O-N 2.84Å; F472-H476 PolarHBondContact O-ND1 3.47Å; A473-H476 CarbonylContact O-C 3.42Å; H476-E478 VanDerWaalsContact C-OE2 3.25Å; H476-E478 IonicContact CD2-OE1 3.41Å; H476-E478 IonicContact CG-OE1 2.86Å; H476-E478 PolarHBondContact O-N 3.39Å; H476-E478 VanDerWaalsContact O-N 3.13Å; H476-Y479 HydrophobicContact CB-CD2 3.61Å; H476-Y479 HydrophobicContact CB-CE2 3.98Å; H476-Y479 PolarHBondContact O-N 3.07Å; H476-Y479 VanDerWaalsContact O-N 3.12Å
477P68.7Low71.1Confident20 Ų2031.2 Ų31.213%0.1317%0.171CC..G310 helixtrans-56.5-31.5-174.9-23.133.4000113.4V401 C405 Y479 A480V401-P477 HydrophobicContact CG1-CB 3.88Å; V401-P477 HydrophobicContact CG1-CG 4.31Å; C405-P477 HydrophobicContact CB-CB 4.06Å; C405-P477 WeakPolarHBondContact CB-O 3.45Å; C405-P477 PolarHBondContact SG-O 2.99Å; P477-Y479 PolarHBondContact O-N 3.11Å; P477-A480 WeakPolarHBondContact O-CB 3.11Å; P477-A480 PolarHBondContact O-N 3.41Å
478E64.9Low69.9Low13 Ų1330.9 Ų30.96%0.06117%0.166CC..G310 helixtrans-52.2-27.6177.762.8-80.8-17300113.7L369 H476L369-E478 HydrophobicContact CD2-CB 4.19Å; L369-E478 HydrophobicContact CD2-CG 3.66Å; H476-E478 VanDerWaalsContact C-OE2 3.25Å; H476-E478 IonicContact CD2-OE1 3.41Å; H476-E478 IonicContact CG-OE1 2.86Å; H476-E478 PolarHBondContact O-N 3.39Å; H476-E478 VanDerWaalsContact O-N 3.13Å
479Y68.3Low68.4Low4 Ų432.9 Ų32.92%0.01618%0.177CC..G310 helixtrans-83-17.5175.2-65.8-97.1000114.1I368 L369 L452 F472 H476 P477 K481 L482 F483I368-Y479 PolarHBondContact O-OH 3.24Å; L369-Y479 VanDerWaalsContact C-OH 3.23Å; L369-Y479 WeakPolarHBondContact CA-OH 3.26Å; L369-Y479 HydrophobicContact CB-CE1 4.16Å; L369-Y479 HydrophobicContact CD2-CD1 3.94Å; L369-Y479 HydrophobicContact CD2-CD2 3.93Å; L369-Y479 HydrophobicContact CD2-CE1 3.74Å; L369-Y479 HydrophobicContact CD2-CE2 3.75Å; L369-Y479 HydrophobicContact CD2-CG 4.05Å; L369-Y479 WeakPolarHBondContact O-CE1 3.36Å; L369-Y479 PolarHBondContact O-OH 2.85Å; L452-Y479 HydrophobicContact CD1-CD1 4.42Å; L452-Y479 HydrophobicContact CD1-CE1 3.66Å; L452-Y479 HydrophobicContact CD2-CD1 4.45Å; L452-Y479 HydrophobicContact CD2-CE1 4.03Å; F472-Y479 HydrophobicContact CE1-CD1 4.33Å; F472-Y479 HydrophobicContact CE1-CD2 4.05Å; F472-Y479 HydrophobicContact CE1-CE2 4.47Å; F472-Y479 AromaticContact CE1-CG 3.96Å; F472-Y479 HydrophobicContact CE1-CG 3.96Å; F472-Y479 HydrophobicContact CZ-CD2 4.13Å; F472-Y479 HydrophobicContact CZ-CE2 4.1Å; F472-Y479 HydrophobicContact CZ-CG 4.36Å; H476-Y479 HydrophobicContact CB-CD2 3.61Å; H476-Y479 HydrophobicContact CB-CE2 3.98Å; H476-Y479 PolarHBondContact O-N 3.07Å; H476-Y479 VanDerWaalsContact O-N 3.12Å; P477-Y479 PolarHBondContact O-N 3.11Å; Y479-K481 PolarHBondContact O-N 3.44Å; Y479-L482 HydrophobicContact CD1-CD1 3.77Å; Y479-L482 HydrophobicContact CG-CD1 4.43Å; Y479-L482 VanDerWaalsContact O-CB 3.28Å; Y479-L482 WeakPolarHBondContact O-CB 3.23Å; Y479-L482 PolarHBondContact O-N 2.87Å; Y479-F483 WeakPolarHBondContact O-CD2 3.4Å; Y479-F483 PolarHBondContact O-N 3.17Å
480A65.7Low67.3Low1 Ų136 Ų361%0.00819%0.192CC..Hα-helixtrans-58.1-37.1-17800000112.9C405 A408 N409 P477 L482 F483 T484C405-A480 HydrophobicContact CB-CB 4.04Å; C405-A480 WeakPolarHBondContact O-CB 3.43Å; A408-A480 HydrophobicContact CB-CB 4.05Å; N409-A480 WeakPolarHBondContact OD1-CB 3.42Å; P477-A480 WeakPolarHBondContact O-CB 3.11Å; P477-A480 PolarHBondContact O-N 3.41Å; A480-L482 VanDerWaalsContact C-N 3.34Å; A480-F483 PolarHBondContact O-N 3.36Å; A480-T484 PolarHBondContact O-N 2.9Å; A480-T484 VanDerWaalsContact O-N 3.11Å; A480-T484 PolarHBondContact O-OG1 3.27Å
481K62Low66.2Low19 Ų1942.5 Ų42.58%0.08321%0.214CC..Hα-helixtrans-71.2-30.5177.3-169.361.1-170.41660111.8L380 L404 Y479 T484 T485 E488L380-K481 HydrophobicContact CD1-CB 4.14Å; L380-K481 HydrophobicContact CD1-CG 3.93Å; L404-K481 HydrophobicContact CB-CG 4.42Å; Y479-K481 PolarHBondContact O-N 3.44Å; K481-T484 WeakPolarHBondContact CA-OG1 3.21Å; K481-T484 PolarHBondContact O-N 3.04Å; K481-T484 PolarHBondContact O-OG1 3.41Å; K481-T485 VanDerWaalsContact O-CB 3.3Å; K481-T485 WeakPolarHBondContact O-CB 3.23Å; K481-T485 PolarHBondContact O-N 2.79Å; K481-T485 PolarHBondContact O-OG1 3.35Å; K481-E488 IonicContact NZ-OE1 3.57Å; K481-E488 PolarHBondContact NZ-OE1 3.44Å; K481-E488 IonicContact NZ-OE2 3.97Å; K481-E488 PolarHBondContact NZ-OE2 3.26Å
482L64.4Low64.7Low15 Ų1544.2 Ų44.28%0.07922%0.216CC..Hα-helixtrans-61-47.8173.1-69.2167000110.9L369 L371 L380 L442 Y479 A480 T484 T485L369-L482 HydrophobicContact CD1-CD1 4.39Å; L369-L482 HydrophobicContact CD2-CD1 4.47Å; L371-L482 HydrophobicContact CD1-CD1 3.72Å; L371-L482 HydrophobicContact CD1-CD2 4.1Å; L380-L482 HydrophobicContact CD2-CD2 3.64Å; L380-L482 HydrophobicContact CD2-CG 3.86Å; L442-L482 HydrophobicContact CD2-CD2 3.73Å; Y479-L482 HydrophobicContact CD1-CD1 3.77Å; Y479-L482 HydrophobicContact CG-CD1 4.43Å; Y479-L482 VanDerWaalsContact O-CB 3.28Å; Y479-L482 WeakPolarHBondContact O-CB 3.23Å; Y479-L482 PolarHBondContact O-N 2.87Å; A480-L482 VanDerWaalsContact C-N 3.34Å; L482-T484 VanDerWaalsContact C-N 3.35Å; L482-T484 PolarHBondContact O-N 3.02Å; L482-T485 PolarHBondContact O-N 3.46Å
483F64.3Low63.4Low3 Ų348 Ų481%0.01323%0.234CC..Hα-helixtrans-66.5-35.2-179.5-58.4-53.9000112.8A417 F421 F434 F469 Y479 A480A417-F483 HydrophobicContact CB-CB 4.36Å; F421-F483 AromaticContact CE2-CD1 3.69Å; F421-F483 HydrophobicContact CE2-CD1 3.69Å; F421-F483 HydrophobicContact CE2-CE1 4.35Å; F421-F483 AromaticContact CZ-CD1 3.58Å; F421-F483 HydrophobicContact CZ-CD1 3.58Å; F421-F483 AromaticContact CZ-CE1 3.86Å; F421-F483 HydrophobicContact CZ-CE1 3.86Å; F434-F483 HydrophobicContact CE2-CE1 4.37Å; F469-F483 HydrophobicContact CE2-CD1 4.09Å; F469-F483 HydrophobicContact CE2-CD2 4.42Å; F469-F483 AromaticContact CE2-CE1 3.97Å; F469-F483 HydrophobicContact CE2-CE1 3.97Å; F469-F483 HydrophobicContact CE2-CE2 4.31Å; F469-F483 HydrophobicContact CE2-CG 4.32Å; F469-F483 HydrophobicContact CE2-CZ 4.09Å; F469-F483 HydrophobicContact CZ-CB 4.34Å; F469-F483 HydrophobicContact CZ-CD1 4.04Å; F469-F483 HydrophobicContact CZ-CD2 4.07Å; F469-F483 HydrophobicContact CZ-CE1 4.37Å; F469-F483 HydrophobicContact CZ-CE2 4.38Å; F469-F483 AromaticContact CZ-CG 3.89Å; F469-F483 HydrophobicContact CZ-CG 3.89Å; Y479-F483 WeakPolarHBondContact O-CD2 3.4Å; Y479-F483 PolarHBondContact O-N 3.17Å; A480-F483 PolarHBondContact O-N 3.36Å
484T62Low62.3Low11 Ų1150.8 Ų50.87%0.06726%0.257CS..Hα-helixtrans-86-21.6179.451.90000115A408 V413 A480 K481 L482 Y486 L487 E488A408-T484 HydrophobicContact CB-CG2 3.42Å; A408-T484 VanDerWaalsContact CB-CG2 3.42Å; A408-T484 WeakPolarHBondContact CB-OG1 3.4Å; V413-T484 HydrophobicContact CG1-CG2 3.31Å; A480-T484 PolarHBondContact O-N 2.9Å; A480-T484 VanDerWaalsContact O-N 3.11Å; A480-T484 PolarHBondContact O-OG1 3.27Å; K481-T484 WeakPolarHBondContact CA-OG1 3.21Å; K481-T484 PolarHBondContact O-N 3.04Å; K481-T484 PolarHBondContact O-OG1 3.41Å; L482-T484 VanDerWaalsContact C-N 3.35Å; L482-T484 PolarHBondContact O-N 3.02Å; T484-Y486 PolarHBondContact O-N 3.42Å; T484-L487 HydrophobicContact CG2-CD1 4.14Å; T484-L487 WeakPolarHBondContact O-CB 3.39Å; T484-L487 PolarHBondContact O-N 3.42Å; T484-E488 PolarHBondContact O-N 3.34Å
485T62.5Low61.1Low36 Ų3652.6 Ų52.622%0.22126%0.26CS..Hα-helixtrans-63-34172.9-59.50000110.6K481 L482 E488 L489K481-T485 VanDerWaalsContact O-CB 3.3Å; K481-T485 WeakPolarHBondContact O-CB 3.23Å; K481-T485 PolarHBondContact O-N 2.79Å; K481-T485 PolarHBondContact O-OG1 3.35Å; L482-T485 PolarHBondContact O-N 3.46Å; T485-E488 PolarHBondContact O-N 3Å; T485-L489 HydrophobicContact CG2-CD1 4.19Å; T485-L489 WeakPolarHBondContact O-CB 3.46Å; T485-L489 WeakPolarHBondContact O-CG 3.41Å; T485-L489 PolarHBondContact O-N 2.89Å
486Y60.3Low59.7Low32 Ų3255.6 Ų55.613%0.12527%0.266CS..Hα-helixtrans-64.5-44.1172-174.1-105000112.9L420 L437 A441 T484 E488 L489 Q490L420-Y486 HydrophobicContact CB-CD1 4.44Å; L420-Y486 HydrophobicContact CB-CE1 4.2Å; L420-Y486 HydrophobicContact CD1-CD1 4.04Å; L420-Y486 HydrophobicContact CD1-CE1 4.17Å; L437-Y486 HydrophobicContact CD1-CD1 4.03Å; L437-Y486 HydrophobicContact CD1-CE1 3.61Å; L437-Y486 HydrophobicContact CD2-CD1 3.52Å; L437-Y486 HydrophobicContact CD2-CD2 3.71Å; L437-Y486 HydrophobicContact CD2-CE1 3.75Å; L437-Y486 HydrophobicContact CD2-CE2 3.92Å; L437-Y486 HydrophobicContact CD2-CG 3.48Å; L437-Y486 VanDerWaalsContact CD2-CG 3.48Å; L437-Y486 HydrophobicContact CG-CD1 4.02Å; L437-Y486 HydrophobicContact CG-CD2 4.33Å; L437-Y486 HydrophobicContact CG-CE1 3.69Å; L437-Y486 HydrophobicContact CG-CE2 4.02Å; L437-Y486 HydrophobicContact CG-CG 4.31Å; A441-Y486 HydrophobicContact CB-CD2 3.71Å; A441-Y486 HydrophobicContact CB-CG 4.2Å; T484-Y486 PolarHBondContact O-N 3.42Å; Y486-E488 PolarHBondContact O-N 3.48Å; Y486-L489 PolarHBondContact O-N 2.94Å; Y486-Q490 HydrophobicContact CD1-CG 4.1Å; Y486-Q490 HydrophobicContact CD2-CG 4.49Å; Y486-Q490 HydrophobicContact CE1-CG 3.64Å; Y486-Q490 HydrophobicContact CE2-CG 4.09Å; Y486-Q490 WeakPolarHBondContact O-CB 3.35Å; Y486-Q490 PolarHBondContact O-N 3.49Å; Y486-Q490 PolarHBondContact OH-NE2 3.29Å
487L56.7Low58.4Low31 Ų3160.5 Ų60.516%0.16229%0.289CS..Hα-helixtrans-56.1-40.6173-82.4160000111.6V413 M416 A417 L420 T484 R491V413-L487 HydrophobicContact CG1-CD1 4.08Å; M416-L487 HydrophobicContact CB-CD1 4.49Å; M416-L487 HydrophobicContact CB-CD2 4.14Å; A417-L487 HydrophobicContact CB-CD1 3.98Å; L420-L487 HydrophobicContact CD1-CD2 3.23Å; L420-L487 HydrophobicContact CD1-CG 3.7Å; L420-L487 HydrophobicContact CG-CD2 4.37Å; T484-L487 HydrophobicContact CG2-CD1 4.14Å; T484-L487 WeakPolarHBondContact O-CB 3.39Å; T484-L487 PolarHBondContact O-N 3.42Å; L487-R491 WeakPolarHBondContact O-CB 3.34Å; L487-R491 VanDerWaalsContact O-CG 3.28Å; L487-R491 WeakPolarHBondContact O-CG 3.39Å; L487-R491 PolarHBondContact O-N 2.66Å; L487-R491 VanDerWaalsContact O-N 3.07Å
488E59.7Low57.3Low83 Ų8361.5 Ų61.539%0.38830%0.299SS..Hα-helixtrans-69.8-41.8177.4-72.2174.6177.100112.2K481 T484 T485 Y486 R491 Y492K481-E488 IonicContact NZ-OE1 3.57Å; K481-E488 PolarHBondContact NZ-OE1 3.44Å; K481-E488 IonicContact NZ-OE2 3.97Å; K481-E488 PolarHBondContact NZ-OE2 3.26Å; T484-E488 PolarHBondContact O-N 3.34Å; T485-E488 PolarHBondContact O-N 3Å; Y486-E488 PolarHBondContact O-N 3.48Å; E488-R491 PolarHBondContact O-N 2.66Å; E488-Y492 WeakPolarHBondContact O-CB 3.47Å; E488-Y492 PolarHBondContact O-N 2.88Å
489L57.2Low56.3Low54 Ų5467.8 Ų67.828%0.28333%0.33SS..Hα-helixtrans-63.8-45.1176.2-76.6166.3000112.2T485 Y486 Y492 Q493T485-L489 HydrophobicContact CG2-CD1 4.19Å; T485-L489 WeakPolarHBondContact O-CB 3.46Å; T485-L489 WeakPolarHBondContact O-CG 3.41Å; T485-L489 PolarHBondContact O-N 2.89Å; Y486-L489 PolarHBondContact O-N 2.94Å; L489-Y492 PolarHBondContact O-N 3.19Å; L489-Q493 WeakPolarHBondContact O-CG 3.35Å; L489-Q493 PolarHBondContact O-N 3.38Å
490Q58.2Low55.3Low66 Ų6673.5 Ų73.531%0.30837%0.367SS..Hα-helixtrans-64.2-42.4176.5-77-65.1-36.500111.7Y486 Y492 Q493 A494Y486-Q490 HydrophobicContact CD1-CG 4.1Å; Y486-Q490 HydrophobicContact CD2-CG 4.49Å; Y486-Q490 HydrophobicContact CE1-CG 3.64Å; Y486-Q490 HydrophobicContact CE2-CG 4.09Å; Y486-Q490 WeakPolarHBondContact O-CB 3.35Å; Y486-Q490 PolarHBondContact O-N 3.49Å; Y486-Q490 PolarHBondContact OH-NE2 3.29Å; Q490-Y492 VanDerWaalsContact C-N 3.27Å; Q490-Y492 PolarHBondContact O-N 3.33Å; Q490-Q493 PolarHBondContact O-N 3Å; Q490-A494 VanDerWaalsContact O-CB 3.27Å; Q490-A494 WeakPolarHBondContact O-CB 3.35Å; Q490-A494 PolarHBondContact O-N 3.23Å
491R57.6Low54.3Low187 Ų18775.9 Ų75.971%0.70639%0.392SS*.Hα-helixtrans-59.7-40.6172.5-76.7177.2102.9169.59.7111.5L487 E488 I495L487-R491 WeakPolarHBondContact O-CB 3.34Å; L487-R491 VanDerWaalsContact O-CG 3.28Å; L487-R491 WeakPolarHBondContact O-CG 3.39Å; L487-R491 PolarHBondContact O-N 2.66Å; L487-R491 VanDerWaalsContact O-N 3.07Å; E488-R491 PolarHBondContact O-N 2.66Å; R491-I495 WeakPolarHBondContact O-CB 3.28Å; R491-I495 VanDerWaalsContact O-CD1 3.27Å; R491-I495 WeakPolarHBondContact O-CD1 3.43Å; R491-I495 WeakPolarHBondContact O-CG1 3.37Å; R491-I495 PolarHBondContact O-N 3.21Å
492Y51.1Low53.4Low138 Ų13880.7 Ų80.754%0.54142%0.419SS..Hα-helixtrans-68.5-41.5179.2-163.1-96000112.3E488 L489 Q490 I495 Q496E488-Y492 WeakPolarHBondContact O-CB 3.47Å; E488-Y492 PolarHBondContact O-N 2.88Å; L489-Y492 PolarHBondContact O-N 3.19Å; Q490-Y492 VanDerWaalsContact C-N 3.27Å; Q490-Y492 PolarHBondContact O-N 3.33Å; Y492-I495 PolarHBondContact O-N 2.93Å; Y492-Q496 HydrophobicContact CD1-CG 4.27Å; Y492-Q496 HydrophobicContact CE1-CG 4.07Å; Y492-Q496 WeakPolarHBondContact O-CG 3Å; Y492-Q496 PolarHBondContact O-N 3.34Å
493Q52.2Low52.6Low90 Ų9085.9 Ų85.942%0.42145%0.446SS..Hα-helixtrans-63.4-45.9173.8-74.8176.8-25.200111.5L489 Q490 I495 Q496 E497L489-Q493 WeakPolarHBondContact O-CG 3.35Å; L489-Q493 PolarHBondContact O-N 3.38Å; Q490-Q493 PolarHBondContact O-N 3Å; Q493-I495 VanDerWaalsContact C-N 3.26Å; Q493-I495 PolarHBondContact O-N 2.98Å; Q493-Q496 PolarHBondContact O-N 3.41Å; Q493-E497 WeakPolarHBondContact O-CB 3.43Å; Q493-E497 WeakPolarHBondContact O-CG 3.36Å; Q493-E497 PolarHBondContact O-N 3.35Å
494A53.6Low51.5Low59 Ų5993 Ų9349%0.48848%0.479SS..Hα-helixtrans-60.5-34.7174.700000112.7Q490 A498Q490-A494 VanDerWaalsContact O-CB 3.27Å; Q490-A494 WeakPolarHBondContact O-CB 3.35Å; Q490-A494 PolarHBondContact O-N 3.23Å; A494-A498 WeakPolarHBondContact O-CB 3.37Å; A494-A498 PolarHBondContact O-N 2.98Å; A494-A498 VanDerWaalsContact O-N 3.08Å
495I48.8Very low50.3Low112 Ų11298.1 Ų98.157%0.57451%0.506SS*.Hα-helixtrans-71.7-34.8174-70.3162.9000111.7R491 Y492 Q493R491-I495 WeakPolarHBondContact O-CB 3.28Å; R491-I495 VanDerWaalsContact O-CD1 3.27Å; R491-I495 WeakPolarHBondContact O-CD1 3.43Å; R491-I495 WeakPolarHBondContact O-CG1 3.37Å; R491-I495 PolarHBondContact O-N 3.21Å; Y492-I495 PolarHBondContact O-N 2.93Å; Q493-I495 VanDerWaalsContact C-N 3.26Å; Q493-I495 PolarHBondContact O-N 2.98Å
496Q43.6Very low49.1Very low136 Ų13699.4 Ų99.464%0.63652%0.52SS*.Hα-helixtrans-75.3-31.2176.6-78.2-171.8-3900113.3Y492 Q493Y492-Q496 HydrophobicContact CD1-CG 4.27Å; Y492-Q496 HydrophobicContact CE1-CG 4.07Å; Y492-Q496 WeakPolarHBondContact O-CG 3Å; Y492-Q496 PolarHBondContact O-N 3.34Å; Q493-Q496 PolarHBondContact O-N 3.41Å
497E45.6Very low48.1Very low161 Ų161100 Ų10075%0.75254%0.536SS*.Hα-helixtrans-83.5-19.1177.6-70.2179.417600112.9Q493 M499Q493-E497 WeakPolarHBondContact O-CB 3.43Å; Q493-E497 WeakPolarHBondContact O-CG 3.36Å; Q493-E497 PolarHBondContact O-N 3.35Å; E497-M499 PolarHBondContact O-N 3.23Å
498A44.5Very low47.1Very low41 Ų41105.4 Ų105.434%0.33956%0.56SS.*SBendtrans-67.8112.1170.700000110.2A494A494-A498 WeakPolarHBondContact O-CB 3.37Å; A494-A498 PolarHBondContact O-N 2.98Å; A494-A498 VanDerWaalsContact O-N 3.08Å
499M44.8Very low46Very low145 Ų145107.6 Ų107.671%0.71457%0.573SS**  trans-59153.1173.4-72.6-142.8-65.300110.9E497 G501 D502E497-M499 PolarHBondContact O-N 3.23Å; M499-G501 PolarHBondContact O-N 2.86Å; M499-D502 PolarHBondContact O-N 3.01Å
500P45.8Very low45Very low123 Ų123115.9 Ų115.980%0.79960%0.601SS**THydrogen-bonded Turntrans-60.7-8.1-171.1-20.831.3000115.8
501G46.1Very low43.8Very low52 Ų52124 Ų12454%0.53663%0.628SS.*THydrogen-bonded Turntrans-88.7-20.8-176.500000115.8M499M499-G501 PolarHBondContact O-N 2.86Å
502D43.4Very low42.6Very low120 Ų120118.2 Ų118.264%0.64263%0.627SS**THydrogen-bonded Turntrans-86.8-13.4-172.9-68.3-30.8000113.6M499 E504M499-D502 PolarHBondContact O-N 3.01Å; D502-E504 VanDerWaalsContact C-N 3.34Å
503L46.8Very low41.9Very low124 Ų124120.3 Ų120.365%0.64964%0.642SS**Hα-helixtrans-75.4-18.2176.6-90.4140.1000113.7
504E40.7Very low40.9Very low153 Ų153120.2 Ų120.272%0.71566%0.657SS**Hα-helixtrans-80.1-27.3177.2-73-164.8150.100113D502 G507D502-E504 VanDerWaalsContact C-N 3.34Å; E504-G507 PolarHBondContact O-N 3.46Å
505L36.8Very low40Very low118 Ų118123.4 Ų123.462%0.61867%0.672SS**Hα-helixtrans-74.8-35.2-179.5-148.577.2000112.2G507 Q508L505-G507 VanDerWaalsContact C-N 3.31Å; L505-G507 PolarHBondContact O-N 3.02Å; L505-Q508 PolarHBondContact O-N 3.33Å
506A38.2Very low39.4Very low63 Ų63127 Ų12752%0.52169%0.687SS.*Hα-helixtrans-71.2-25176.600000113.2
507G39.1Very low38.8Very low45 Ų45128.2 Ų128.246%0.46470%0.697SS.*Hα-helixtrans-75-26.9175.500000113.9E504 L505E504-G507 PolarHBondContact O-N 3.46Å; L505-G507 VanDerWaalsContact C-N 3.31Å; L505-G507 PolarHBondContact O-N 3.02Å
508Q35.7Very low38Very low144 Ų144125.1 Ų125.167%0.67369%0.694SS**Hα-helixtrans-82.2-31179.2-74.7-177.2-800113L505 R510 R511L505-Q508 PolarHBondContact O-N 3.33Å; Q508-R510 VanDerWaalsContact C-N 3.32Å; Q508-R510 PolarHBondContact O-N 3Å; Q508-R511 PolarHBondContact O-N 3.33Å
509I36Very low37.4Very low128 Ų128130.8 Ų130.866%0.65672%0.717SS**Hα-helixtrans-68-30.8178.4-62.3172.1000111.6R511I509-R511 VanDerWaalsContact C-N 3.32Å; I509-R511 PolarHBondContact O-N 2.9Å
510R36.3Very low36.7Very low229 Ų229129.3 Ų129.386%0.86472%0.72SS**THydrogen-bonded Turntrans-74.4-11.9175.6-76.7-167.6-162.5-164.84.3115.4Q508Q508-R510 VanDerWaalsContact C-N 3.32Å; Q508-R510 PolarHBondContact O-N 3Å
511R34.3Very low36.1Very low235 Ų235130.6 Ų130.689%0.88772%0.721SS**THydrogen-bonded Turntrans-93.5-5.4178-87.5-173.3178.4-173.61.2113.8Q508 I509Q508-R511 PolarHBondContact O-N 3.33Å; I509-R511 VanDerWaalsContact C-N 3.32Å; I509-R511 PolarHBondContact O-N 2.9Å
512G32.4Very low35.4Very low66 Ų66138.1 Ų138.168%0.6874%0.739SS**SBendtrans-95.1-12.1-174.900000116.3
513E34.6Very low35.1Very low182 Ų182141.1 Ų141.185%0.8575%0.746SS**  trans-116.377.7-178.7-71.4-177.2166.100110.7
514A32.9Very low34.7Very low89 Ų89141.8 Ų141.874%0.73675%0.75SS**PPolyproline II helixtrans-101.3119.2154.400000107E516A514-E516 PolarHBondContact O-N 3.29Å
515P34.3Very low34.5Very low125 Ų125146 Ų14681%0.81278%0.778SS**PPolyproline II helixtrans-72.3116.1170.6-7.423.5000108.4D517P515-D517 PolarHBondContact O-N 2.95Å
516E35Very low34.4Very low188 Ų188147.4 Ų147.488%0.87979%0.786SS**PPolyproline II helixtrans-58.9123.7148.8-74.1-176.4149.400107.3A514A514-E516 PolarHBondContact O-N 3.29Å
517D30.8Very low34.2Very low161 Ų161151.8 Ų151.886%0.86180%0.8SS**  trans-152.5139.5146.7-108.2-25.2000112.7P515P515-D517 PolarHBondContact O-N 2.95Å
518S29.6Very low33.9Very low96 Ų96157.8 Ų157.867%0.67182%0.818SS**  trans-76.8143-167510000115.5
519I32.3Very low33.8Very low160 Ų160158.6 Ų158.682%0.82183%0.827SS**  trans21.9120.6134.6-50.7172.9000117.8
520S29.2Very low33.6Very low114 Ų114160.5 Ų160.580%0.79784%0.838SS**  -178.7147.6111.257.10000114.3
521D33.9Very low33.5Very low150 Ų150155.9 Ų155.980%0.80284%0.836SS**  trans-51.6145.8177.5-65.5-67.8000116.1
522K30.6Very low33.4Very low211 Ų211150.3 Ų150.392%0.91783%0.832SS**  -169.8139.3110.3-106.6175-177.4178.40114.2
523K37Very low33.5Very low182 Ų182156.8 Ų156.879%0.79184%0.844SS**  trans-75.6168.3168.6-103178.2173.7179.40112.4
524D39.4Very low33.4Very low139 Ų139154.7 Ų154.774%0.74384%0.843SS**  trans89.295.2157-52.8-31.1000117.2
525D35.7Very low33.4Very low241 Ų241160.6 Ų160.6100%1.28985%0.853SS**  174.40100.4-93.5-20.7000111.7

Retrieved 525 of 525 residues in 334.4 ms (Link to these results)

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