A0A077Z294_TRITR Loading...

Unnamed protein product

AlphaFold DB , UniProt , Accession A0A077Z294, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 425 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
1M48.4Very low51.7Low243 Ų243126.4 Ų126.4100%1.19771%0.711SS**  067.60-59.1173.3-171.500110.9
2R47.7Very low51.9Low255 Ų255125.1 Ų125.196%0.96270%0.7SS**  trans-153.587.9175-74.6-170.7178.4171-1.5109.1
3A50Low51.8Low89 Ų89122.6 Ų122.674%0.73668%0.682SS**  trans-157.4-18.2178.700000114.9
4T53.3Low51.6Low121 Ų121124.2 Ų124.274%0.74268%0.679SS**THydrogen-bonded Turntrans-92.25.3-164.344.10000116
5A53.2Low51.6Low83 Ų83120 Ų12069%0.68667%0.667SS**THydrogen-bonded Turntrans-92-17-176.600000114.8
6A52.3Low51.3Low71 Ų71116.5 Ų116.559%0.58766%0.658SS**Hα-helixtrans-88.8-21.9-170.900000114.7
7T53.8Low50.9Low95 Ų95118.7 Ų118.758%0.58366%0.659SS**Hα-helixtrans-80.9-29.3-174.138.90000113.9L11T7-L11 PolarHBondContact O-N 3.22Å
8I53.4Low50.5Low109 Ų109120.1 Ų120.156%0.55967%0.665SS**Hα-helixtrans-70.2-40.6-177.8-60.9175000110.9L10 L11 I12I8-L10 VanDerWaalsContact C-N 3.3Å; I8-L10 PolarHBondContact O-N 3.28Å; I8-L11 PolarHBondContact O-N 3.3Å; I8-I12 HydrophobicContact CG2-CD1 4.34Å; I8-I12 PolarHBondContact O-N 3.17Å
9T51.8Low50Low86 Ų86119.8 Ų119.853%0.52867%0.667SS.*Hα-helixtrans-65.4-33.3179.7-27.90000112.5I12 I13T9-I12 PolarHBondContact O-N 3.11Å; T9-I13 WeakPolarHBondContact O-CG1 3.4Å; T9-I13 PolarHBondContact O-N 3.23Å
10L51.6Low49.3Very low117 Ų117119.2 Ų119.261%0.61367%0.666SS**Hα-helixtrans-71.9-30.8178.3-126.5109.3000112.7I8 K14I8-L10 VanDerWaalsContact C-N 3.3Å; I8-L10 PolarHBondContact O-N 3.28Å; L10-K14 PolarHBondContact O-N 3.42Å; L10-K14 VanDerWaalsContact O-N 3.1Å
11L52.8Low48.8Very low121 Ų121118.1 Ų118.163%0.63467%0.667SS**Hα-helixtrans-69.9-38.2174-79.6164.5000112T7 I8 I13 K14 A15T7-L11 PolarHBondContact O-N 3.22Å; I8-L11 PolarHBondContact O-N 3.3Å; L11-I13 VanDerWaalsContact C-N 3.34Å; L11-I13 PolarHBondContact O-N 3.24Å; L11-K14 PolarHBondContact O-N 3.42Å; L11-A15 WeakPolarHBondContact O-CB 3.42Å; L11-A15 PolarHBondContact O-N 3.46Å
12I54Low48.1Very low111 Ų111110.4 Ų110.457%0.56964%0.641SS**Hα-helixtrans-65.4-38.5176.1-63.1169.1000110.9I8 T9 A15 A16I8-I12 HydrophobicContact CG2-CD1 4.34Å; I8-I12 PolarHBondContact O-N 3.17Å; T9-I12 PolarHBondContact O-N 3.11Å; I12-A15 PolarHBondContact O-N 3.18Å; I12-A16 WeakPolarHBondContact O-CB 3.44Å; I12-A16 PolarHBondContact O-N 3.22Å
13I51.4Low47.4Very low93 Ų93105.9 Ų105.948%0.47764%0.637SS.*Hα-helixtrans-66.7-43.4175.5-65169.4000110.9T9 L11 A15 A16 F17T9-I13 WeakPolarHBondContact O-CG1 3.4Å; T9-I13 PolarHBondContact O-N 3.23Å; L11-I13 VanDerWaalsContact C-N 3.34Å; L11-I13 PolarHBondContact O-N 3.24Å; I13-A15 PolarHBondContact O-N 3.24Å; I13-A16 PolarHBondContact O-N 3.28Å; I13-F17 HydrophobicContact CG2-CD2 3.94Å; I13-F17 HydrophobicContact CG2-CE2 4.2Å; I13-F17 WeakPolarHBondContact O-CD2 3.48Å; I13-F17 PolarHBondContact O-N 2.97Å; I13-F17 VanDerWaalsContact O-N 3.07Å
14K49.1Very low46.9Very low145 Ų145106.2 Ų106.263%0.6363%0.626SS**Hα-helixtrans-64-38.3174.8-80.5-163.3169.7-164.70113.1L10 L11 F17 L18L10-K14 PolarHBondContact O-N 3.42Å; L10-K14 VanDerWaalsContact O-N 3.1Å; L11-K14 PolarHBondContact O-N 3.42Å; K14-F17 PolarHBondContact O-N 3.27Å; K14-L18 WeakPolarHBondContact O-CD1 3.43Å; K14-L18 WeakPolarHBondContact O-CG 3.41Å; K14-L18 PolarHBondContact O-N 3.27Å
15A50.7Low46.2Very low61 Ų61105.1 Ų105.150%0.50462%0.621SS.*Hα-helixtrans-66-38.5175.500000112.4L11 I12 I13 L18L11-A15 WeakPolarHBondContact O-CB 3.42Å; L11-A15 PolarHBondContact O-N 3.46Å; I12-A15 PolarHBondContact O-N 3.18Å; I13-A15 PolarHBondContact O-N 3.24Å; A15-L18 PolarHBondContact O-N 3.37Å
16A47.5Very low45.6Very low64 Ų64106.9 Ų106.953%0.52962%0.615SS.*Hα-helixtrans-69.3-30.2176.500000113.5I12 I13 T19I12-A16 WeakPolarHBondContact O-CB 3.44Å; I12-A16 PolarHBondContact O-N 3.22Å; I13-A16 PolarHBondContact O-N 3.28Å; A16-T19 PolarHBondContact O-OG1 3.43Å
17F43.7Very low45.1Very low154 Ų154106.7 Ų106.768%0.67561%0.613SS**THydrogen-bonded Turntrans-85.8-3.9175.9-88-81.3000114.5I13 K14I13-F17 HydrophobicContact CG2-CD2 3.94Å; I13-F17 HydrophobicContact CG2-CE2 4.2Å; I13-F17 WeakPolarHBondContact O-CD2 3.48Å; I13-F17 PolarHBondContact O-N 2.97Å; I13-F17 VanDerWaalsContact O-N 3.07Å; K14-F17 PolarHBondContact O-N 3.27Å
18L43.8Very low44.4Very low144 Ų144108 Ų10875%0.75461%0.613SS**THydrogen-bonded Turntrans-98.22.1175.9-78.7166.9000113.7K14 A15K14-L18 WeakPolarHBondContact O-CD1 3.43Å; K14-L18 WeakPolarHBondContact O-CG 3.41Å; K14-L18 PolarHBondContact O-N 3.27Å; A15-L18 PolarHBondContact O-N 3.37Å
19T41.1Very low43.8Very low114 Ų114108.4 Ų108.470%0.69962%0.616SS**  trans-102.55.2175.455.30000114.1A16 S21A16-T19 PolarHBondContact O-OG1 3.43Å; T19-S21 VanDerWaalsContact C-N 3.25Å; T19-S21 PolarHBondContact O-N 3.43Å; T19-S21 VanDerWaalsContact O-N 3.11Å
20T37.1Very low43.5Very low107 Ų107109.4 Ų109.466%0.65662%0.618SS**  trans-76.987.4156.255.60000107.2A22T20-A22 PolarHBondContact O-N 3.41Å
21S38.5Very low42.9Very low98 Ų98110.4 Ų110.469%0.68562%0.617SS**  trans-46127.5153.248.30000107T19 D23T19-S21 VanDerWaalsContact C-N 3.25Å; T19-S21 PolarHBondContact O-N 3.43Å; T19-S21 VanDerWaalsContact O-N 3.11Å; S21-D23 PolarHBondContact O-N 3.07Å
22A33.4Very low42.4Very low80 Ų80108 Ų10866%0.66162%0.621SS**  trans-56116.8175.600000107.9T20 D24T20-A22 PolarHBondContact O-N 3.41Å; A22-D24 PolarHBondContact O-N 3.29Å
23D33.5Very low42.4Very low161 Ų161105.8 Ų105.886%0.86161%0.61SS**  trans-6483155.2-81-52.3000105.4S21 P25S21-D23 PolarHBondContact O-N 3.07Å; D23-P25 WeakPolarHBondContact O-CD 3.48Å; D23-P25 VanDerWaalsContact O-N 3.14Å
24D38.1Very low42.7Very low96 Ų96107.7 Ų107.751%0.51362%0.621SS.*  trans-64.6111.9178-120.6-33000106.8A22 E26 A27A22-D24 PolarHBondContact O-N 3.29Å; D24-E26 PolarHBondContact O-N 3.33Å; D24-A27 WeakPolarHBondContact O-CB 3.36Å; D24-A27 PolarHBondContact O-N 3.48Å
25P39.4Very low43.4Very low97 Ų97104.6 Ų104.663%0.6362%0.615SS**THydrogen-bonded Turntrans-65.4-15.7-175.227.6-34.1000111.8D23 A27 E28D23-P25 WeakPolarHBondContact O-CD 3.48Å; D23-P25 VanDerWaalsContact O-N 3.14Å; P25-A27 VanDerWaalsContact C-N 3.3Å; P25-E28 PolarHBondContact O-N 2.9Å
26E40.2Very low44.1Very low121 Ų121102 Ų10257%0.56559%0.593SS**Hα-helixtrans-72-20.8173.5-56.7-168.5129.900112.9D24 E28 D29D24-E26 PolarHBondContact O-N 3.33Å; E26-E28 VanDerWaalsContact C-N 3.31Å; E26-E28 PolarHBondContact O-N 3.34Å; E26-D29 PolarHBondContact O-N 3.49Å
27A42.5Very low45Very low67 Ų67101.7 Ų101.755%0.55458%0.582SS**Hα-helixtrans-73.5-20.7174.600000113.3D24 P25D24-A27 WeakPolarHBondContact O-CB 3.36Å; D24-A27 PolarHBondContact O-N 3.48Å; P25-A27 VanDerWaalsContact C-N 3.3Å
28E38.3Very low45.9Very low122 Ų12295.9 Ų95.957%0.5756%0.563SS**Hα-helixtrans-75.4-37.6173.4-74.1-82132.500111.7P25 E26 L30 K31P25-E28 PolarHBondContact O-N 2.9Å; E26-E28 VanDerWaalsContact C-N 3.31Å; E26-E28 PolarHBondContact O-N 3.34Å; E28-L30 PolarHBondContact O-N 3.1Å; E28-K31 VanDerWaalsContact O-CB 3.27Å; E28-K31 WeakPolarHBondContact O-CB 3.22Å; E28-K31 VanDerWaalsContact O-CG 3.29Å; E28-K31 WeakPolarHBondContact O-CG 3.36Å; E28-K31 PolarHBondContact O-N 3.35Å; E28-K31 WeakPolarHBondContact OE1-CE 3.39Å; E28-K31 IonicContact OE1-NZ 2.59Å; E28-K31 PolarHBondContact OE1-NZ 3.11Å; E28-K31 IonicContact OE2-NZ 2.8Å; E28-K31 PolarHBondContact OE2-NZ 3.38Å
29D42.3Very low46.8Very low118 Ų11891.8 Ų91.863%0.63156%0.555SS**Hα-helixtrans-75.5-21-178.3-90.2-18.4000113.3E26 K31E26-D29 PolarHBondContact O-N 3.49Å; D29-K31 PolarHBondContact O-N 3.09Å
30L45Very low47.7Very low107 Ų10790.7 Ų90.756%0.5655%0.549SS*.G310 helixtrans-71.1-9.4169.2-96.789.4000114.2E28 G32 I33E28-L30 PolarHBondContact O-N 3.1Å; L30-G32 PolarHBondContact O-N 3.23Å; L30-I33 PolarHBondContact O-N 2.99Å; L30-I33 VanDerWaalsContact O-N 3.07Å
31K39.4Very low48.8Very low137 Ų13789.3 Ų89.360%0.59654%0.537SS*.G310 helixtrans-60.3-12178.9-73178.4179170.70114.7E28 D29E28-K31 VanDerWaalsContact O-CB 3.27Å; E28-K31 WeakPolarHBondContact O-CB 3.22Å; E28-K31 VanDerWaalsContact O-CG 3.29Å; E28-K31 WeakPolarHBondContact O-CG 3.36Å; E28-K31 PolarHBondContact O-N 3.35Å; E28-K31 WeakPolarHBondContact OE1-CE 3.39Å; E28-K31 IonicContact OE1-NZ 2.59Å; E28-K31 PolarHBondContact OE1-NZ 3.11Å; E28-K31 IonicContact OE2-NZ 2.8Å; E28-K31 PolarHBondContact OE2-NZ 3.38Å; D29-K31 PolarHBondContact O-N 3.09Å
32G42.5Very low49.8Very low70 Ų7086.6 Ų86.672%0.72252%0.517SS*.G310 helixtrans-81.7-21.3175.200000115.4L30L30-G32 PolarHBondContact O-N 3.23Å
33I52.2Low51.2Low65 Ų6585 Ų8533%0.33350%0.497SS..SBendtrans-110.2106.2-179.7-54.3175.6000107.5L30 P35 P221L30-I33 PolarHBondContact O-N 2.99Å; L30-I33 VanDerWaalsContact O-N 3.07Å; I33-P35 WeakPolarHBondContact O-CD 3.49Å; I33-P221 HydrophobicContact CD1-CB 3.9Å; I33-P221 HydrophobicContact CD1-CG 3.9Å; I33-P221 HydrophobicContact CG1-CB 4.33Å
34L59.1Low52.6Low134 Ų13480.3 Ų80.370%0.70248%0.475SS*.PPolyproline II helixtrans-63.3122.2172.7-82.779.1000108.4C36 W71L34-C36 PolarHBondContact O-N 3.24Å; L34-W71 VanDerWaalsContact O-CD1 3.25Å
35P63.2Low53.8Low80 Ų8081 Ų8152%0.51948%0.484SS..PPolyproline II helixtrans-61.7134.2168.227.7-33.2000108I33 K68 G69I33-P35 WeakPolarHBondContact O-CD 3.49Å; P35-K68 HydrophobicContact CB-CB 4.28Å; P35-G69 WeakPolarHBondContact CA-O 3.35Å
36C64.9Low54.9Low5 Ų581.9 Ų81.93%0.03448%0.476CS..EExtended strand (participates in β ladder)trans-80.6160.4173.657.70000109.9L34 C54 K68 G69 W71L34-C36 PolarHBondContact O-N 3.24Å; C36-C54 HydrophobicContact CB-CB 3.57Å; C36-C54 WeakPolarHBondContact CB-SG 3.06Å; C36-C54 WeakPolarHBondContact SG-CA 2.94Å; C36-C54 WeakPolarHBondContact SG-CB 3.29Å; C36-C54 CovalentContact SG-SG 2.01Å; C36-C54 PolarHBondContact SG-SG 2.75Å; C36-K68 CarbonylContact O-C 3.44Å; C36-K68 WeakPolarHBondContact O-CA 3.36Å; C36-G69 PolarHBondContact N-O 3.06Å; C36-G69 VanDerWaalsContact N-O 3.13Å; C36-G69 PolarHBondContact O-N 3.47Å; C36-G69 PolarHBondContact SG-O 2.98Å; C36-W71 HydrophobicContact CB-CD2 3.83Å; C36-W71 VanDerWaalsContact CB-CE2 3.42Å; C36-W71 HydrophobicContact CB-CE3 4.34Å; C36-W71 HydrophobicContact CB-CG 4.27Å; C36-W71 HydrophobicContact CB-CH2 4.18Å; C36-W71 HydrophobicContact CB-CZ2 3.63Å
37D66.7Low56Low58 Ų5879.4 Ų79.431%0.3148%0.482SS..EExtended strand (participates in β ladder)trans-97.2111.3167.4178.4-9000108G39 T40 D41 N67D37-G39 PolarHBondContact O-N 2.79Å; D37-G39 VanDerWaalsContact O-N 3.14Å; D37-G39 WeakPolarHBondContact OD1-CA 3.27Å; D37-G39 PolarHBondContact OD1-N 2.8Å; D37-T40 WeakPolarHBondContact CB-OG1 3.41Å; D37-T40 PolarHBondContact O-N 3.36Å; D37-D41 PolarHBondContact O-N 3.31Å; D37-N67 WeakPolarHBondContact OD1-CB 3.2Å
38A62.8Low57Low32 Ų3283.9 Ų83.926%0.26449%0.492SS..THydrogen-bonded Turntrans-62.1-19.8-178.500000112.7C54 K56 N67A38-C54 WeakPolarHBondContact CA-SG 3.41Å; A38-C54 PolarHBondContact N-SG 2.59Å; A38-C54 VanDerWaalsContact N-SG 3.4Å; A38-K56 HydrophobicContact CB-CB 3.98Å; A38-N67 WeakPolarHBondContact CB-O 3.42Å; A38-N67 PolarHBondContact N-O 3.32Å
39G62.1Low58.1Low58 Ų5880.5 Ų80.560%0.59848%0.478SS*.THydrogen-bonded Turntrans-81.7-18.717400000114.7D37D37-G39 PolarHBondContact O-N 2.79Å; D37-G39 VanDerWaalsContact O-N 3.14Å; D37-G39 WeakPolarHBondContact OD1-CA 3.27Å; D37-G39 PolarHBondContact OD1-N 2.8Å
40T61Low59.1Low92 Ų9275.3 Ų75.356%0.56445%0.452SS*.THydrogen-bonded Turntrans-126.5-30-173.862.80000115.4D37 P42D37-T40 WeakPolarHBondContact CB-OG1 3.41Å; D37-T40 PolarHBondContact O-N 3.36Å; T40-P42 VanDerWaalsContact O-CD 3.24Å; T40-P42 WeakPolarHBondContact O-CD 3.41Å
41D59Low60Low77 Ų7771.7 Ų71.741%0.41243%0.431SS..  trans-117.550.7-172.1-70.7-43.4000112.9D37 I43 C54 W71D37-D41 PolarHBondContact O-N 3.31Å; D41-I43 VanDerWaalsContact C-N 3.34Å; D41-I43 PolarHBondContact O-N 3.43Å; D41-C54 WeakPolarHBondContact O-CB 3.41Å; D41-W71 HydrophobicContact CB-CH2 3.82Å; D41-W71 HydrophobicContact CB-CZ2 4.05Å; D41-W71 WeakPolarHBondContact O-CH2 3.46Å; D41-W71 WeakPolarHBondContact O-CZ3 3.33Å
42P60.7Low61.2Low41 Ų4167.8 Ų67.827%0.26641%0.414SS..  trans-62.8-34.5-168.925.8-35.4000114T40 I53 C54 F285T40-P42 VanDerWaalsContact O-CD 3.24Å; T40-P42 WeakPolarHBondContact O-CD 3.41Å; P42-I53 CarbonylContact O-C 3.45Å; P42-I53 WeakPolarHBondContact O-CA 3.22Å; P42-C54 PolarHBondContact O-N 3.48Å; P42-F285 HydrophobicContact CB-CE2 3.84Å; P42-F285 HydrophobicContact CB-CZ 3.94Å
43I61.6Low62.3Low47 Ų4765 Ų6524%0.24138%0.383CS..EExtended strand (participates in β ladder)trans-146.6136.8-178.1-55.4179.9000111.9D41 Y51 F52 G284 F285D41-I43 VanDerWaalsContact C-N 3.34Å; D41-I43 PolarHBondContact O-N 3.43Å; I43-Y51 HydrophobicContact CG2-CD2 3.96Å; I43-Y51 HydrophobicContact CG2-CG 4.43Å; I43-F52 CarbonylContact C-O 3.46Å; I43-F52 VanDerWaalsContact CA-O 3.26Å; I43-F52 WeakPolarHBondContact CA-O 3.32Å; I43-G284 WeakPolarHBondContact CD1-O 3.49Å; I43-F285 VanDerWaalsContact CD1-CA 3.46Å; I43-F285 HydrophobicContact CD1-CB 4.06Å; I43-F285 HydrophobicContact CD1-CD1 3.55Å; I43-F285 HydrophobicContact CD1-CD2 4.17Å; I43-F285 HydrophobicContact CD1-CE1 3.96Å; I43-F285 HydrophobicContact CD1-CG 3.66Å; I43-F285 HydrophobicContact CD1-CZ 4.42Å; I43-F285 HydrophobicContact CG1-CD1 4.04Å; I43-F285 HydrophobicContact CG1-CE1 3.9Å; I43-F285 HydrophobicContact CG1-CG 4.4Å; I43-F285 HydrophobicContact CG1-CZ 4.14Å
44V63.3Low62.8Low63 Ų6362.2 Ų62.238%0.38237%0.369SS..EExtended strand (participates in β ladder)trans-125.6121.7168.9171.70000109.9Y51 F52 W71V44-Y51 CarbonylContact O-C 3.44Å; V44-Y51 WeakPolarHBondContact O-CA 3.35Å; V44-F52 HydrophobicContact CB-CB 4.48Å; V44-F52 PolarHBondContact N-O 3.05Å; V44-F52 PolarHBondContact O-N 3.09Å; V44-W71 HydrophobicContact CB-CH2 4.19Å; V44-W71 HydrophobicContact CB-CZ3 4.28Å; V44-W71 HydrophobicContact CG2-CH2 3.44Å; V44-W71 VanDerWaalsContact CG2-CH2 3.44Å; V44-W71 HydrophobicContact CG2-CZ2 4.14Å; V44-W71 HydrophobicContact CG2-CZ3 3.99Å
45P63.7Low63Low109 Ų10956.7 Ų56.771%0.70834%0.339SS*.EExtended strand (participates in β ladder)trans-65.3138.7178.527.1-34.3000111.8
46Y63.2Low63.3Low116 Ų11654.5 Ų54.546%0.45532%0.322SS..  trans-128.786.5-176.5-174.4-106.2000111.5G50 F52Y46-G50 CarbonylContact C-O 3.14Å; Y46-G50 WeakPolarHBondContact CA-O 3.45Å; Y46-G50 PolarHBondContact N-O 2.94Å; Y46-G50 CarbonylContact O-C 3.55Å; Y46-G50 VanDerWaalsContact O-O 3.12Å; Y46-F52 HydrophobicContact CD1-CE2 4.35Å; Y46-F52 HydrophobicContact CD2-CD2 4.08Å; Y46-F52 AromaticContact CD2-CE2 3.28Å; Y46-F52 HydrophobicContact CD2-CE2 3.28Å; Y46-F52 AromaticContact CD2-CZ 4Å; Y46-F52 HydrophobicContact CD2-CZ 4Å; Y46-F52 AromaticContact CE2-CE2 3.86Å; Y46-F52 HydrophobicContact CE2-CE2 3.86Å; Y46-F52 HydrophobicContact CE2-CZ 4.2Å; Y46-F52 HydrophobicContact CG-CD2 4.08Å; Y46-F52 AromaticContact CG-CE2 3.55Å; Y46-F52 HydrophobicContact CG-CE2 3.55Å; Y46-F52 HydrophobicContact CG-CZ 4.14Å
47G63.6Low63.2Low69 Ų6956.5 Ų56.571%0.71133%0.334SS*.SBendtrans72.4-162.8-175.500000112.9
48E62.1Low62.8Low162 Ų16256.3 Ų56.376%0.75734%0.336SS*.SBendtrans-82.8-19.1-176.6-61.1177.6159.400112.7S82 F83E48-S82 WeakPolarHBondContact O-CA 3.44Å; E48-F83 PolarHBondContact O-N 2.89Å; E48-F83 VanDerWaalsContact O-N 3.13Å
49N61.7Low62.7Low51 Ų5155.9 Ų55.927%0.27333%0.33SS..SBendtrans-117.87.2-167.2-69.3-3.6000114.2S75 C76 T80 S81 S82N49-S75 VanDerWaalsContact O-CA 3.27Å; N49-S75 WeakPolarHBondContact O-CA 3.43Å; N49-C76 PolarHBondContact O-N 2.8Å; N49-T80 PolarHBondContact ND2-O 2.82Å; N49-T80 PolarHBondContact OD1-O 3.37Å; N49-S81 VanDerWaalsContact OD1-C 3.27Å; N49-S82 PolarHBondContact OD1-N 2.6Å
50G63.7Low62.2Low8 Ų854.5 Ų54.58%0.08231%0.313CS..EExtended strand (participates in β ladder)trans-166.6174.9-174.700000115.7Y46 W74Y46-G50 CarbonylContact C-O 3.14Å; Y46-G50 WeakPolarHBondContact CA-O 3.45Å; Y46-G50 PolarHBondContact N-O 2.94Å; Y46-G50 CarbonylContact O-C 3.55Å; Y46-G50 VanDerWaalsContact O-O 3.12Å; G50-W74 CarbonylContact C-O 3.54Å; G50-W74 WeakPolarHBondContact CA-O 3.46Å
51Y64.3Low61.6Low31 Ų3153.7 Ų53.712%0.12231%0.308CS..EExtended strand (participates in β ladder)trans-153.3155.6179.956.7-78.5000109.9I43 V44 I53 W74 F83I43-Y51 HydrophobicContact CG2-CD2 3.96Å; I43-Y51 HydrophobicContact CG2-CG 4.43Å; V44-Y51 CarbonylContact O-C 3.44Å; V44-Y51 WeakPolarHBondContact O-CA 3.35Å; Y51-I53 HydrophobicContact CD2-CD1 4.32Å; Y51-I53 HydrophobicContact CD2-CG1 3.67Å; Y51-I53 HydrophobicContact CE2-CD1 3.62Å; Y51-I53 HydrophobicContact CE2-CG1 3.46Å; Y51-I53 VanDerWaalsContact CE2-CG1 3.46Å; Y51-W74 HydrophobicContact CD1-CB 4.02Å; Y51-W74 HydrophobicContact CD2-CB 4.25Å; Y51-W74 HydrophobicContact CE1-CB 3.64Å; Y51-W74 HydrophobicContact CE1-CG 4.43Å; Y51-W74 HydrophobicContact CE2-CB 3.93Å; Y51-W74 HydrophobicContact CE2-CG 4.25Å; Y51-W74 HydrophobicContact CG-CB 4.29Å; Y51-W74 AromaticContact CZ-CG 3.95Å; Y51-W74 PolarHBondContact N-O 2.8Å; Y51-W74 PolarHBondContact O-N 3.28Å; Y51-F83 HydrophobicContact CD1-CD2 4.4Å; Y51-F83 HydrophobicContact CD1-CE2 4.39Å; Y51-F83 HydrophobicContact CE1-CD2 4.02Å; Y51-F83 AromaticContact CE1-CE2 3.58Å; Y51-F83 HydrophobicContact CE1-CE2 3.58Å; Y51-F83 AromaticContact CE1-CZ 3.91Å; Y51-F83 HydrophobicContact CE1-CZ 3.91Å
52F63.9Low60.9Low56 Ų5654.1 Ų54.125%0.24633%0.33CS..EExtended strand (participates in β ladder)trans-96.8137.7165.2-67.5-76.2000109.3I43 V44 Y46 W71 I72 R73I43-F52 CarbonylContact C-O 3.46Å; I43-F52 VanDerWaalsContact CA-O 3.26Å; I43-F52 WeakPolarHBondContact CA-O 3.32Å; V44-F52 HydrophobicContact CB-CB 4.48Å; V44-F52 PolarHBondContact N-O 3.05Å; V44-F52 PolarHBondContact O-N 3.09Å; Y46-F52 HydrophobicContact CD1-CE2 4.35Å; Y46-F52 HydrophobicContact CD2-CD2 4.08Å; Y46-F52 AromaticContact CD2-CE2 3.28Å; Y46-F52 HydrophobicContact CD2-CE2 3.28Å; Y46-F52 AromaticContact CD2-CZ 4Å; Y46-F52 HydrophobicContact CD2-CZ 4Å; Y46-F52 AromaticContact CE2-CE2 3.86Å; Y46-F52 HydrophobicContact CE2-CE2 3.86Å; Y46-F52 HydrophobicContact CE2-CZ 4.2Å; Y46-F52 HydrophobicContact CG-CD2 4.08Å; Y46-F52 AromaticContact CG-CE2 3.55Å; Y46-F52 HydrophobicContact CG-CE2 3.55Å; Y46-F52 HydrophobicContact CG-CZ 4.14Å; F52-W71 HydrophobicContact CB-CD2 4.33Å; F52-W71 HydrophobicContact CB-CE3 3.6Å; F52-W71 HydrophobicContact CB-CZ3 4.06Å; F52-W71 HydrophobicContact CD1-CB 4.42Å; F52-I72 CarbonylContact C-O 3.54Å; F52-I72 VanDerWaalsContact CA-O 3.31Å; F52-I72 WeakPolarHBondContact CA-O 3.42Å; F52-R73 HydrophobicContact CD1-CB 3.78Å; F52-R73 HydrophobicContact CD1-CG 4.28Å; F52-R73 HydrophobicContact CE1-CB 3.63Å; F52-R73 HydrophobicContact CE1-CG 3.98Å
53I65Low60.5Low11 Ų1157.7 Ų57.76%0.05634%0.343CS..EExtended strand (participates in β ladder)trans-106.1136.9171.2-62171.5000108.1P42 Y51 W71 I72 W74 F285P42-I53 CarbonylContact O-C 3.45Å; P42-I53 WeakPolarHBondContact O-CA 3.22Å; Y51-I53 HydrophobicContact CD2-CD1 4.32Å; Y51-I53 HydrophobicContact CD2-CG1 3.67Å; Y51-I53 HydrophobicContact CE2-CD1 3.62Å; Y51-I53 HydrophobicContact CE2-CG1 3.46Å; Y51-I53 VanDerWaalsContact CE2-CG1 3.46Å; I53-W71 CarbonylContact O-C 3.37Å; I53-W71 WeakPolarHBondContact O-CA 3.34Å; I53-I72 HydrophobicContact CB-CB 4.44Å; I53-I72 PolarHBondContact N-O 3.2Å; I53-I72 PolarHBondContact O-N 2.94Å; I53-W74 HydrophobicContact CD1-CG 4.15Å; I53-F285 HydrophobicContact CG1-CE1 4.35Å; I53-F285 HydrophobicContact CG2-CE1 3.68Å; I53-F285 HydrophobicContact CG2-CZ 4.24Å
54C63.7Low60.2Low7 Ų763.8 Ų63.85%0.04737%0.371CS..EExtended strand (participates in β ladder)trans-89126.8161.2-174.90000110.4C36 A38 D41 P42 W71C36-C54 HydrophobicContact CB-CB 3.57Å; C36-C54 WeakPolarHBondContact CB-SG 3.06Å; C36-C54 WeakPolarHBondContact SG-CA 2.94Å; C36-C54 WeakPolarHBondContact SG-CB 3.29Å; C36-C54 CovalentContact SG-SG 2.01Å; C36-C54 PolarHBondContact SG-SG 2.75Å; A38-C54 WeakPolarHBondContact CA-SG 3.41Å; A38-C54 PolarHBondContact N-SG 2.59Å; A38-C54 VanDerWaalsContact N-SG 3.4Å; D41-C54 WeakPolarHBondContact O-CB 3.41Å; P42-C54 PolarHBondContact O-N 3.48Å; C54-W71 HydrophobicContact CB-CE3 4.21Å; C54-W71 HydrophobicContact CB-CH2 4.39Å; C54-W71 HydrophobicContact CB-CZ3 3.97Å
55Q63.9Low59.9Low17 Ų1766.2 Ų66.28%0.07938%0.382CS..EExtended strand (participates in β ladder)trans-125.9127.4175.2-176.7-178.6-19.100110.7T57 G69 L70 I72 Y271Q55-T57 PolarHBondContact O-N 2.99Å; Q55-G69 CarbonylContact O-C 3.53Å; Q55-G69 WeakPolarHBondContact O-CA 3.3Å; Q55-L70 PolarHBondContact N-O 3.42Å; Q55-L70 VanDerWaalsContact N-O 3.11Å; Q55-L70 PolarHBondContact O-N 3.01Å; Q55-I72 HydrophobicContact CB-CD1 3.61Å; Q55-I72 HydrophobicContact CG-CD1 4.4Å; Q55-Y271 VanDerWaalsContact CD-CE1 3.47Å; Q55-Y271 HydrophobicContact CG-CE1 4.32Å; Q55-Y271 VanDerWaalsContact NE2-CD1 3.26Å
56K67.6Low59.8Low35 Ų3562.3 Ų62.315%0.15236%0.357CS..EExtended strand (participates in β ladder)trans-56.5129.3174.5-168-173.8177.1-171.30109.4A38 D65 S66 D122A38-K56 HydrophobicContact CB-CB 3.98Å; K56-D65 IonicContact NZ-OD1 3.69Å; K56-D65 PolarHBondContact NZ-OD1 2.76Å; K56-S66 WeakPolarHBondContact CE-O 3.41Å; K56-D122 WeakPolarHBondContact CB-O 3.43Å
57T63.1Low59.8Low46 Ų4661.1 Ų61.128%0.28236%0.358SS..PPolyproline II helixtrans-73.9144.4173.847.70000110.5Q55 V59 K68 L70Q55-T57 PolarHBondContact O-N 2.99Å; T57-V59 PolarHBondContact O-N 3.04Å; T57-K68 PolarHBondContact N-O 3.5Å; T57-K68 PolarHBondContact OG1-O 3.11Å; T57-L70 HydrophobicContact CG2-CD1 3.61Å; T57-L70 HydrophobicContact CG2-CG 3.64Å
58P58.5Low59.9Low55 Ų5564 Ų6436%0.35735%0.351SS..PPolyproline II helixtrans-57.2136.4169.626-33.5000109.7Y144P58-Y144 HydrophobicContact CG-CE1 4.44Å
59V60.2Low60Low23 Ų2356.4 Ų56.414%0.13932%0.316CS..PPolyproline II helixtrans-88137.9-173.7-175.70000109.2T57 Q63T57-V59 PolarHBondContact O-N 3.04Å; V59-Q63 HydrophobicContact CG1-CB 3.84Å; V59-Q63 HydrophobicContact CG1-CG 4.25Å; V59-Q63 WeakPolarHBondContact CG1-O 3.45Å
60A53.1Low60.2Low29 Ų2957.7 Ų57.724%0.2432%0.323CS..BIsolated β-bridgetrans-77.2147.8175.400000111.6G62 Q63 L160A60-G62 PolarHBondContact O-N 3.32Å; A60-G62 VanDerWaalsContact O-N 3.1Å; A60-Q63 HydrophobicContact CB-CB 4.35Å; A60-Q63 VanDerWaalsContact O-CB 3.3Å; A60-Q63 WeakPolarHBondContact O-CB 3.05Å; A60-Q63 PolarHBondContact O-N 3.44Å; A60-L160 HydrophobicContact CB-CB 4.13Å; A60-L160 HydrophobicContact CB-CD2 4.05Å
61V46.6Very low60.1Low75 Ų7560.7 Ų60.746%0.45533%0.332SS..THydrogen-bonded Turntrans-58.8119.4178.8177.50000110.2H159 L160 M161V61-H159 HydrophobicContact CG2-CB 3.6Å; V61-L160 WeakPolarHBondContact CG2-O 3.49Å; V61-L160 PolarHBondContact N-O 3.44Å; V61-M161 HydrophobicContact CG2-SD 3.82Å
62G44.6Very low60.2Low86 Ų8660.4 Ų60.489%0.88733%0.332SS*.THydrogen-bonded Turntrans92.1-0.3-177.300000115.5A60A60-G62 PolarHBondContact O-N 3.32Å; A60-G62 VanDerWaalsContact O-N 3.1Å
63Q52.4Low60.3Low116 Ų11663 Ų6354%0.54234%0.34SS..SBendtrans-86.4138167.9-171.8175.98.700109.7V59 A60V59-Q63 HydrophobicContact CG1-CB 3.84Å; V59-Q63 HydrophobicContact CG1-CG 4.25Å; V59-Q63 WeakPolarHBondContact CG1-O 3.45Å; A60-Q63 HydrophobicContact CB-CB 4.35Å; A60-Q63 VanDerWaalsContact O-CB 3.3Å; A60-Q63 WeakPolarHBondContact O-CB 3.05Å; A60-Q63 PolarHBondContact O-N 3.44Å
64E55.1Low60.2Low175 Ų17564.2 Ų64.282%0.81834%0.344SS*.  trans-64.6143.3175.5-70-174.7161.900111.3S66E64-S66 PolarHBondContact O-N 3.28Å
65D58.4Low60.2Low114 Ų11467 Ų6761%0.6136%0.364SS*.  trans-51.6103.3173.1-109.1-47.4000110.6K56K56-D65 IonicContact NZ-OD1 3.69Å; K56-D65 PolarHBondContact NZ-OD1 2.76Å
66S60.6Low60.1Low27 Ų2766.8 Ų66.819%0.18936%0.364CS..  trans-110.1129.3177.697.40000109.1K56 E64 K68K56-S66 WeakPolarHBondContact CE-O 3.41Å; E64-S66 PolarHBondContact O-N 3.28Å; S66-K68 PolarHBondContact O-N 2.96Å; S66-K68 WeakPolarHBondContact OG-CB 3.4Å; S66-K68 PolarHBondContact OG-N 3.16Å
67N64.6Low59.8Low90 Ų9071.7 Ų71.748%0.48138%0.382SS..  trans-70.46.8170.9-63.4-5.6000112.6D37 A38 G69D37-N67 WeakPolarHBondContact OD1-CB 3.2Å; A38-N67 WeakPolarHBondContact CB-O 3.42Å; A38-N67 PolarHBondContact N-O 3.32Å; N67-G69 PolarHBondContact O-N 3.22Å
68K64.4Low59.3Low130 Ų13077.5 Ų77.557%0.56541%0.407SS*.EExtended strand (participates in β ladder)trans-64.3131.7177.9-62.9178-179174.30109.3P35 C36 T57 S66P35-K68 HydrophobicContact CB-CB 4.28Å; C36-K68 CarbonylContact O-C 3.44Å; C36-K68 WeakPolarHBondContact O-CA 3.36Å; T57-K68 PolarHBondContact N-O 3.5Å; T57-K68 PolarHBondContact OG1-O 3.11Å; S66-K68 PolarHBondContact O-N 2.96Å; S66-K68 WeakPolarHBondContact OG-CB 3.4Å; S66-K68 PolarHBondContact OG-N 3.16Å
69G64.6Low59.1Low2 Ų279 Ų792%0.02143%0.431CS..EExtended strand (participates in β ladder)trans-126.5174.9175.600000112.6P35 C36 Q55 N67P35-G69 WeakPolarHBondContact CA-O 3.35Å; C36-G69 PolarHBondContact N-O 3.06Å; C36-G69 VanDerWaalsContact N-O 3.13Å; C36-G69 PolarHBondContact O-N 3.47Å; C36-G69 PolarHBondContact SG-O 2.98Å; Q55-G69 CarbonylContact O-C 3.53Å; Q55-G69 WeakPolarHBondContact O-CA 3.3Å; N67-G69 PolarHBondContact O-N 3.22Å
70L65.2Low58.9Low78 Ų7879.1 Ų79.141%0.40843%0.432SS..EExtended strand (participates in β ladder)trans-101.9139.9172.8-70.7167.4000110.4Q55 T57 I72Q55-L70 PolarHBondContact N-O 3.42Å; Q55-L70 VanDerWaalsContact N-O 3.11Å; Q55-L70 PolarHBondContact O-N 3.01Å; T57-L70 HydrophobicContact CG2-CD1 3.61Å; T57-L70 HydrophobicContact CG2-CG 3.64Å; L70-I72 PolarHBondContact O-N 3.23Å
71W62.7Low59Low71 Ų7182.5 Ų82.527%0.26945%0.454SS..EExtended strand (participates in β ladder)trans-76.7114.3169-76.9120000110.8L34 C36 D41 V44 F52 I53 C54L34-W71 VanDerWaalsContact O-CD1 3.25Å; C36-W71 HydrophobicContact CB-CD2 3.83Å; C36-W71 VanDerWaalsContact CB-CE2 3.42Å; C36-W71 HydrophobicContact CB-CE3 4.34Å; C36-W71 HydrophobicContact CB-CG 4.27Å; C36-W71 HydrophobicContact CB-CH2 4.18Å; C36-W71 HydrophobicContact CB-CZ2 3.63Å; D41-W71 HydrophobicContact CB-CH2 3.82Å; D41-W71 HydrophobicContact CB-CZ2 4.05Å; D41-W71 WeakPolarHBondContact O-CH2 3.46Å; D41-W71 WeakPolarHBondContact O-CZ3 3.33Å; V44-W71 HydrophobicContact CB-CH2 4.19Å; V44-W71 HydrophobicContact CB-CZ3 4.28Å; V44-W71 HydrophobicContact CG2-CH2 3.44Å; V44-W71 VanDerWaalsContact CG2-CH2 3.44Å; V44-W71 HydrophobicContact CG2-CZ2 4.14Å; V44-W71 HydrophobicContact CG2-CZ3 3.99Å; F52-W71 HydrophobicContact CB-CD2 4.33Å; F52-W71 HydrophobicContact CB-CE3 3.6Å; F52-W71 HydrophobicContact CB-CZ3 4.06Å; F52-W71 HydrophobicContact CD1-CB 4.42Å; I53-W71 CarbonylContact O-C 3.37Å; I53-W71 WeakPolarHBondContact O-CA 3.34Å; C54-W71 HydrophobicContact CB-CE3 4.21Å; C54-W71 HydrophobicContact CB-CH2 4.39Å; C54-W71 HydrophobicContact CB-CZ3 3.97Å
72I65.4Low59.5Low25 Ų2582 Ų8213%0.12845%0.454CS..EExtended strand (participates in β ladder)trans-107.3119179.4-59160.7000108.8F52 I53 Q55 L70 F268 M272F52-I72 CarbonylContact C-O 3.54Å; F52-I72 VanDerWaalsContact CA-O 3.31Å; F52-I72 WeakPolarHBondContact CA-O 3.42Å; I53-I72 HydrophobicContact CB-CB 4.44Å; I53-I72 PolarHBondContact N-O 3.2Å; I53-I72 PolarHBondContact O-N 2.94Å; Q55-I72 HydrophobicContact CB-CD1 3.61Å; Q55-I72 HydrophobicContact CG-CD1 4.4Å; L70-I72 PolarHBondContact O-N 3.23Å; I72-F268 HydrophobicContact CD1-CZ 4.24Å; I72-M272 HydrophobicContact CD1-CG 4.09Å; I72-M272 HydrophobicContact CD1-SD 3.73Å; I72-M272 HydrophobicContact CG1-SD 4.17Å; I72-M272 HydrophobicContact CG2-SD 3.81Å
73R65.9Low60Low112 Ų11279.9 Ų79.942%0.42342%0.42SS..EExtended strand (participates in β ladder)trans-80.8120.2176.8-172.4177.7164.3-152.3-7110.9F52F52-R73 HydrophobicContact CD1-CB 3.78Å; F52-R73 HydrophobicContact CD1-CG 4.28Å; F52-R73 HydrophobicContact CE1-CB 3.63Å; F52-R73 HydrophobicContact CE1-CG 3.98Å
74W64.2Low60.3Low35 Ų3576.6 Ų76.613%0.13341%0.407CS..EExtended strand (participates in β ladder)trans-100.4133.7164.3-90.257.9000110.1G50 Y51 I53 P90 M272 P276G50-W74 CarbonylContact C-O 3.54Å; G50-W74 WeakPolarHBondContact CA-O 3.46Å; Y51-W74 HydrophobicContact CD1-CB 4.02Å; Y51-W74 HydrophobicContact CD2-CB 4.25Å; Y51-W74 HydrophobicContact CE1-CB 3.64Å; Y51-W74 HydrophobicContact CE1-CG 4.43Å; Y51-W74 HydrophobicContact CE2-CB 3.93Å; Y51-W74 HydrophobicContact CE2-CG 4.25Å; Y51-W74 HydrophobicContact CG-CB 4.29Å; Y51-W74 AromaticContact CZ-CG 3.95Å; Y51-W74 PolarHBondContact N-O 2.8Å; Y51-W74 PolarHBondContact O-N 3.28Å; I53-W74 HydrophobicContact CD1-CG 4.15Å; W74-P90 HydrophobicContact CH2-CG 4.48Å; W74-M272 WeakPolarHBondContact CZ2-O 3.05Å; W74-P276 HydrophobicContact CE3-CG 4.44Å; W74-P276 HydrophobicContact CH2-CG 3.78Å; W74-P276 HydrophobicContact CZ2-CG 3.9Å; W74-P276 HydrophobicContact CZ3-CG 4.06Å
75S63.9Low60.2Low66 Ų6670.5 Ų70.546%0.46238%0.378SS..EExtended strand (participates in β ladder)trans-149.4143172.553.10000111.7N49N49-S75 VanDerWaalsContact O-CA 3.27Å; N49-S75 WeakPolarHBondContact O-CA 3.43Å
76C61.4Low60.2Low12 Ų1273.2 Ų73.28%0.08139%0.387CS..PPolyproline II helixtrans-68.5157.2171.3-58.50000112N49 T80 F83 C88N49-C76 PolarHBondContact O-N 2.8Å; C76-T80 WeakPolarHBondContact CB-OG1 3.22Å; C76-F83 VanDerWaalsContact SG-CA 3.59Å; C76-F83 WeakPolarHBondContact SG-CD2 3.46Å; C76-C88 HydrophobicContact CB-CB 4Å; C76-C88 WeakPolarHBondContact CB-SG 3.48Å; C76-C88 WeakPolarHBondContact SG-CB 3.23Å; C76-C88 CovalentContact SG-SG 2.01Å; C76-C88 PolarHBondContact SG-SG 2.87Å
77Y60.1Low60.2Low138 Ų13878.1 Ų78.154%0.54141%0.405SS..PPolyproline II helixtrans-55.6143170.5-72.8-81.7000112.2G79 T80Y77-G79 PolarHBondContact O-N 2.83Å; Y77-T80 PolarHBondContact O-N 2.75Å; Y77-T80 PolarHBondContact O-OG1 2.73Å; Y77-T80 VanDerWaalsContact O-OG1 3.05Å
78E53.1Low60Low169 Ų16974.4 Ų74.479%0.7939%0.386SS*.THydrogen-bonded Turntrans-56.6123.4174.7-62.6-169.7156.200110.3
79G55.4Low59.7Low85 Ų8572.4 Ų72.488%0.87638%0.377SS*.THydrogen-bonded Turntrans123.4-14.3-174.300000114.4Y77Y77-G79 PolarHBondContact O-N 2.83Å
80T56.4Low59.5Low26 Ų2673.8 Ų73.816%0.1639%0.386CS..  trans-88.7137.4162.948.90000110N49 C76 Y77 K87N49-T80 PolarHBondContact ND2-O 2.82Å; N49-T80 PolarHBondContact OD1-O 3.37Å; C76-T80 WeakPolarHBondContact CB-OG1 3.22Å; Y77-T80 PolarHBondContact O-N 2.75Å; Y77-T80 PolarHBondContact O-OG1 2.73Å; Y77-T80 VanDerWaalsContact O-OG1 3.05Å; T80-K87 HydrophobicContact CG2-CB 4.34Å; T80-K87 HydrophobicContact CG2-CD 4.07Å
81S53.3Low59Low100 Ų10074.2 Ų74.270%0.69939%0.392SS*.SBendtrans-96.42.917859.80000113.5N49N49-S81 VanDerWaalsContact OD1-C 3.27Å
82S58.3Low58.8Low65 Ų6573.5 Ų73.546%0.45539%0.393SS..SBendtrans-163.7144.3-179.354.10000107.2E48 N49 D84E48-S82 WeakPolarHBondContact O-CA 3.44Å; N49-S82 PolarHBondContact OD1-N 2.6Å; S82-D84 PolarHBondContact O-N 2.97Å; S82-D84 VanDerWaalsContact O-N 3.15Å
83F54.8Low58.1Low41 Ų4180.4 Ų80.418%0.1843%0.425CS..  trans-56.1118.8171.4-178.7-87.1000111.6E48 Y51 C76 C88 M287E48-F83 PolarHBondContact O-N 2.89Å; E48-F83 VanDerWaalsContact O-N 3.13Å; Y51-F83 HydrophobicContact CD1-CD2 4.4Å; Y51-F83 HydrophobicContact CD1-CE2 4.39Å; Y51-F83 HydrophobicContact CE1-CD2 4.02Å; Y51-F83 AromaticContact CE1-CE2 3.58Å; Y51-F83 HydrophobicContact CE1-CE2 3.58Å; Y51-F83 AromaticContact CE1-CZ 3.91Å; Y51-F83 HydrophobicContact CE1-CZ 3.91Å; C76-F83 VanDerWaalsContact SG-CA 3.59Å; C76-F83 WeakPolarHBondContact SG-CD2 3.46Å; F83-C88 HydrophobicContact CD2-CB 4.23Å; F83-C88 HydrophobicContact CE2-CB 3.76Å; F83-C88 HydrophobicContact CZ-CB 4.22Å; F83-M287 HydrophobicContact CE1-SD 3.4Å; F83-M287 WeakPolarHBondContact CE1-SD 3.32Å; F83-M287 HydrophobicContact CZ-CE 4.26Å; F83-M287 HydrophobicContact CZ-SD 3.58Å; F83-M287 VanDerWaalsContact CZ-SD 3.58Å
84D57.9Low57.6Low48 Ų4876.8 Ų76.826%0.25742%0.422SS..  trans-127.4101.5-173.4-178.6-12.8000109.2S82 E86 K87 C88S82-D84 PolarHBondContact O-N 2.97Å; S82-D84 VanDerWaalsContact O-N 3.15Å; D84-E86 VanDerWaalsContact C-N 3.3Å; D84-E86 PolarHBondContact O-N 2.87Å; D84-E86 VanDerWaalsContact O-N 3.13Å; D84-K87 HydrophobicContact CB-CB 4.34Å; D84-K87 PolarHBondContact O-N 2.75Å; D84-K87 WeakPolarHBondContact OD2-CD 3.47Å; D84-K87 IonicContact OD2-NZ 2.59Å; D84-K87 PolarHBondContact OD2-NZ 3.47Å; D84-C88 PolarHBondContact N-SG 2.04Å; D84-C88 WeakPolarHBondContact O-CB 3.17Å; D84-C88 PolarHBondContact O-N 3.09Å; D84-C88 PolarHBondContact O-SG 3.37Å
85E53.7Low57.4Low46 Ų4679.9 Ų79.922%0.21545%0.447CS..Hα-helixtrans-38.9-55.4-174.3178.3168.6-17200112.5K87 C88 K89 W277 M287E85-K87 VanDerWaalsContact C-N 3.3Å; E85-K87 PolarHBondContact O-N 3.07Å; E85-C88 PolarHBondContact O-N 2.8Å; E85-K89 PolarHBondContact O-N 3.03Å; E85-K89 VanDerWaalsContact O-N 3.07Å; E85-W277 HydrophobicContact CB-CH2 4.35Å; E85-W277 HydrophobicContact CG-CH2 3.28Å; E85-W277 HydrophobicContact CG-CZ2 4.22Å; E85-W277 HydrophobicContact CG-CZ3 3.61Å; E85-W277 WeakPolarHBondContact O-CH2 3.28Å; E85-W277 WeakPolarHBondContact O-CZ2 3.36Å; E85-M287 HydrophobicContact CB-SD 3.83Å; E85-M287 HydrophobicContact CG-CB 4.45Å; E85-M287 HydrophobicContact CG-CE 3.91Å; E85-M287 HydrophobicContact CG-CG 4.1Å; E85-M287 HydrophobicContact CG-SD 3.61Å; E85-M287 WeakPolarHBondContact OE2-CB 3.47Å
86E58.5Low57Low172 Ų17278.8 Ų78.880%0.80444%0.435SS*.Hα-helixtrans-64.6-29.6-175.5-62.5-173.2166.200114D84D84-E86 VanDerWaalsContact C-N 3.3Å; D84-E86 PolarHBondContact O-N 2.87Å; D84-E86 VanDerWaalsContact O-N 3.13Å
87K60.8Low57.1Low130 Ų13079.8 Ų79.857%0.56544%0.438SS*.Hα-helixtrans-93.7-24.2179.8-62.3-173.8-175.367.30113.4T80 D84 E85T80-K87 HydrophobicContact CG2-CB 4.34Å; T80-K87 HydrophobicContact CG2-CD 4.07Å; D84-K87 HydrophobicContact CB-CB 4.34Å; D84-K87 PolarHBondContact O-N 2.75Å; D84-K87 WeakPolarHBondContact OD2-CD 3.47Å; D84-K87 IonicContact OD2-NZ 2.59Å; D84-K87 PolarHBondContact OD2-NZ 3.47Å; E85-K87 VanDerWaalsContact C-N 3.3Å; E85-K87 PolarHBondContact O-N 3.07Å
88C59.5Low57.5Low12 Ų1276.2 Ų76.28%0.08143%0.428CS..Hα-helixtrans-94.80.1-179-50.10000112.5C76 F83 D84 E85C76-C88 HydrophobicContact CB-CB 4Å; C76-C88 WeakPolarHBondContact CB-SG 3.48Å; C76-C88 WeakPolarHBondContact SG-CB 3.23Å; C76-C88 CovalentContact SG-SG 2.01Å; C76-C88 PolarHBondContact SG-SG 2.87Å; F83-C88 HydrophobicContact CD2-CB 4.23Å; F83-C88 HydrophobicContact CE2-CB 3.76Å; F83-C88 HydrophobicContact CZ-CB 4.22Å; D84-C88 PolarHBondContact N-SG 2.04Å; D84-C88 WeakPolarHBondContact O-CB 3.17Å; D84-C88 PolarHBondContact O-N 3.09Å; D84-C88 PolarHBondContact O-SG 3.37Å; E85-C88 PolarHBondContact O-N 2.8Å
89K59.7Low58.3Low87 Ų8773.3 Ų73.338%0.37842%0.424SS..SBendtrans-55.7125.8163.7-169.8164.2-177.6177.80109.6E85 V91 L92 W277E85-K89 PolarHBondContact O-N 3.03Å; E85-K89 VanDerWaalsContact O-N 3.07Å; K89-V91 PolarHBondContact O-N 3.02Å; K89-L92 VanDerWaalsContact CE-CD1 3.46Å; K89-W277 HydrophobicContact CB-CH2 3.76Å; K89-W277 HydrophobicContact CB-CZ2 3.33Å; K89-W277 HydrophobicContact CD-CD2 4.33Å; K89-W277 HydrophobicContact CD-CE3 4.35Å; K89-W277 HydrophobicContact CD-CH2 3.98Å; K89-W277 HydrophobicContact CD-CZ2 4.04Å; K89-W277 HydrophobicContact CD-CZ3 4.18Å; K89-W277 HydrophobicContact CG-CD2 4.28Å; K89-W277 HydrophobicContact CG-CH2 4.03Å; K89-W277 HydrophobicContact CG-CZ2 3.6Å
90P59.1Low59.2Low32 Ų3277.4 Ų77.421%0.20842%0.42CS..  trans-58.1135.8169.224.1-30.4000108.1W74 L92W74-P90 HydrophobicContact CH2-CG 4.48Å; P90-L92 HydrophobicContact CB-CD2 4.49Å; P90-L92 HydrophobicContact CG-CD2 4.08Å; P90-L92 WeakPolarHBondContact O-CD2 3.17Å; P90-L92 WeakPolarHBondContact O-CG 3.37Å; P90-L92 PolarHBondContact O-N 2.83Å
91V56Low60Low86 Ų8677 Ų7752%0.52142%0.418SS..  trans-62.9113.1178.2-178.30000107.3K89 E93K89-V91 PolarHBondContact O-N 3.02Å; V91-E93 HydrophobicContact CG1-CB 3.81Å; V91-E93 HydrophobicContact CG1-CG 3.64Å; V91-E93 PolarHBondContact O-N 3.27Å
92L58.2Low61Low57 Ų5775 Ų7530%0.29840%0.397SS..  trans-81.942.5-175.6-54.2-171.9000111.5K89 P90 F97 M274K89-L92 VanDerWaalsContact CE-CD1 3.46Å; P90-L92 HydrophobicContact CB-CD2 4.49Å; P90-L92 HydrophobicContact CG-CD2 4.08Å; P90-L92 WeakPolarHBondContact O-CD2 3.17Å; P90-L92 WeakPolarHBondContact O-CG 3.37Å; P90-L92 PolarHBondContact O-N 2.83Å; L92-F97 HydrophobicContact CB-CB 4.06Å; L92-F97 HydrophobicContact CB-CG 4.22Å; L92-F97 HydrophobicContact CD2-CD1 3.97Å; L92-F97 HydrophobicContact CD2-CD2 4.43Å; L92-F97 HydrophobicContact CD2-CE1 4.11Å; L92-F97 HydrophobicContact CD2-CG 4.15Å; L92-F97 HydrophobicContact CD2-CZ 4.4Å; L92-F97 WeakPolarHBondContact O-CB 3.41Å; L92-M274 HydrophobicContact CD1-CE 3.71Å; L92-M274 HydrophobicContact CD2-CE 3.22Å; L92-M274 HydrophobicContact CG-CE 4.11Å
93E49.6Very low61.9Low169 Ų16975.3 Ų75.379%0.7940%0.397SS*.  trans-114108.8-179.5-62.8177.2-177.700107.8V91V91-E93 HydrophobicContact CG1-CB 3.81Å; V91-E93 HydrophobicContact CG1-CG 3.64Å; V91-E93 PolarHBondContact O-N 3.27Å
94G56Low62.9Low36 Ų3676 Ų7637%0.37140%0.402SS..SBendtrans159.4161.9-17900000111.2M96 F97 D98G94-M96 PolarHBondContact O-N 3.01Å; G94-M96 VanDerWaalsContact O-N 3.1Å; G94-F97 CarbonylContact O-C 3.57Å; G94-F97 PolarHBondContact O-N 3.41Å; G94-D98 PolarHBondContact O-N 2.81Å
95P58.8Low63.8Low101 Ų10173.7 Ų73.766%0.65639%0.39SS*.THydrogen-bonded Turntrans-62.8-20.9-174.325.6-35.1000113.8
96M57.2Low64.9Low42 Ų4273 Ų7321%0.20739%0.388CS..THydrogen-bonded Turntrans-75.8-23173.9-61.7-160.7-73.600113.5G94 F262 N266 Y270G94-M96 PolarHBondContact O-N 3.01Å; G94-M96 VanDerWaalsContact O-N 3.1Å; M96-F262 HydrophobicContact CG-CE1 4.06Å; M96-F262 HydrophobicContact SD-CE1 4.36Å; M96-N266 HydrophobicContact SD-CB 4.31Å; M96-Y270 WeakPolarHBondContact O-CE2 3.28Å
97F63.6Low65.7Low34 Ų3468.6 Ų68.615%0.14937%0.367CS..SBendtrans-109.811.1-179.7-56.6-66.8000112.5L92 G94 Y270 S273 M274L92-F97 HydrophobicContact CB-CB 4.06Å; L92-F97 HydrophobicContact CB-CG 4.22Å; L92-F97 HydrophobicContact CD2-CD1 3.97Å; L92-F97 HydrophobicContact CD2-CD2 4.43Å; L92-F97 HydrophobicContact CD2-CE1 4.11Å; L92-F97 HydrophobicContact CD2-CG 4.15Å; L92-F97 HydrophobicContact CD2-CZ 4.4Å; L92-F97 WeakPolarHBondContact O-CB 3.41Å; G94-F97 CarbonylContact O-C 3.57Å; G94-F97 PolarHBondContact O-N 3.41Å; F97-Y270 HydrophobicContact CD1-CD2 4.05Å; F97-Y270 AromaticContact CD1-CE2 3.59Å; F97-Y270 HydrophobicContact CD1-CE2 3.59Å; F97-Y270 AromaticContact CE1-CD2 3.68Å; F97-Y270 HydrophobicContact CE1-CD2 3.68Å; F97-Y270 AromaticContact CE1-CE2 3.65Å; F97-Y270 HydrophobicContact CE1-CE2 3.65Å; F97-Y270 HydrophobicContact CZ-CD2 4.47Å; F97-S273 VanDerWaalsContact CE1-OG 3.28Å; F97-S273 WeakPolarHBondContact CE1-OG 3.05Å; F97-S273 VanDerWaalsContact CZ-OG 3.26Å; F97-S273 WeakPolarHBondContact CZ-OG 3.26Å; F97-M274 HydrophobicContact CD1-CE 4.2Å; F97-M274 HydrophobicContact CD1-SD 4.44Å; F97-M274 HydrophobicContact CE1-CE 3.95Å; F97-M274 HydrophobicContact CE1-CG 4.18Å; F97-M274 HydrophobicContact CE1-SD 4.41Å
98D67.9Low66.5Low62 Ų6262.4 Ų62.433%0.33234%0.34SS..  trans-53.5128.1175.5-168.6-51.1000109.5G94 E100 V101 K102G94-D98 PolarHBondContact O-N 2.81Å; D98-E100 PolarHBondContact O-N 2.97Å; D98-E100 VanDerWaalsContact O-N 3.1Å; D98-E100 WeakPolarHBondContact OD1-CB 2.93Å; D98-E100 PolarHBondContact OD1-N 2.86Å; D98-V101 HydrophobicContact CB-CB 4.2Å; D98-V101 HydrophobicContact CB-CG2 4.1Å; D98-V101 PolarHBondContact O-N 2.92Å; D98-K102 WeakPolarHBondContact O-CB 2.91Å; D98-K102 PolarHBondContact O-N 3.43Å
99P70.2Confident67.3Low109 Ų10961.8 Ų61.871%0.70834%0.336SS*.THydrogen-bonded Turntrans-57.8-23.6-179.124-35.3000113.9P103P99-P103 VanDerWaalsContact O-CD 3.32Å; P99-P103 WeakPolarHBondContact O-CD 2.92Å
100E73.5Confident68.2Low170 Ų17057.7 Ų57.779%0.79432%0.319SS*.THydrogen-bonded Turntrans-76.5-32.1175-59.9-169.9171.700112.5D98D98-E100 PolarHBondContact O-N 2.97Å; D98-E100 VanDerWaalsContact O-N 3.1Å; D98-E100 WeakPolarHBondContact OD1-CB 2.93Å; D98-E100 PolarHBondContact OD1-N 2.86Å
101V73.8Confident69.1Low19 Ų1957 Ų5712%0.11531%0.314CS..THydrogen-bonded Turntrans-93.2-29.2-176.7-178.20000111.9D98 L104 M105 F259D98-V101 HydrophobicContact CB-CB 4.2Å; D98-V101 HydrophobicContact CB-CG2 4.1Å; D98-V101 PolarHBondContact O-N 2.92Å; V101-L104 PolarHBondContact O-N 3.4Å; V101-L104 VanDerWaalsContact O-N 3.13Å; V101-M105 HydrophobicContact CG1-CG 3.82Å; V101-M105 PolarHBondContact O-N 3.39Å; V101-F259 HydrophobicContact CG1-CZ 4.23Å
102K74.9Confident69.8Low57 Ų5757.8 Ų57.825%0.24831%0.31CS..Hα-helixtrans-46.3-52.5178.5172.1149-175.154.40114.9D98 L104 M105 D106 Y270D98-K102 WeakPolarHBondContact O-CB 2.91Å; D98-K102 PolarHBondContact O-N 3.43Å; K102-L104 PolarHBondContact O-N 2.9Å; K102-M105 PolarHBondContact O-N 2.99Å; K102-M105 VanDerWaalsContact O-N 3.16Å; K102-D106 WeakPolarHBondContact CE-OD2 3.35Å; K102-D106 VanDerWaalsContact CG-OD2 3.31Å; K102-D106 WeakPolarHBondContact CG-OD2 3.36Å; K102-D106 IonicContact NZ-OD1 2.77Å; K102-D106 PolarHBondContact NZ-OD1 3.1Å; K102-D106 IonicContact NZ-OD2 2.72Å; K102-D106 PolarHBondContact NZ-OD2 3.42Å; K102-D106 PolarHBondContact O-N 3.45Å; K102-Y270 WeakPolarHBondContact CG-OH 3.14Å; K102-Y270 PolarHBondContact NZ-OH 2.93Å
103P76.3Confident70.1Confident72 Ų7259 Ų5947%0.46832%0.315SS..Hα-helixtrans-62.2-31.7-176.823.6-34.3000113.1P99 Q107P99-P103 VanDerWaalsContact O-CD 3.32Å; P99-P103 WeakPolarHBondContact O-CD 2.92Å; P103-Q107 WeakPolarHBondContact O-CG 3.36Å; P103-Q107 PolarHBondContact O-N 3.39Å
104L76.6Confident70.6Confident54 Ų5455.1 Ų55.128%0.28330%0.299SS..Hα-helixtrans-75-41.3175.5179.251.4000111.3V101 K102 D106 Q107 L108 F259V101-L104 PolarHBondContact O-N 3.4Å; V101-L104 VanDerWaalsContact O-N 3.13Å; K102-L104 PolarHBondContact O-N 2.9Å; L104-D106 VanDerWaalsContact C-N 3.33Å; L104-D106 PolarHBondContact O-N 2.92Å; L104-Q107 PolarHBondContact O-N 2.87Å; L104-L108 HydrophobicContact CD1-CD1 3.9Å; L104-L108 HydrophobicContact CD1-CG 4.09Å; L104-L108 HydrophobicContact CG-CD1 3.91Å; L104-L108 WeakPolarHBondContact O-CB 3.42Å; L104-L108 VanDerWaalsContact O-CG 3.26Å; L104-L108 WeakPolarHBondContact O-CG 3.4Å; L104-L108 PolarHBondContact O-N 3.29Å; L104-F259 HydrophobicContact CD2-CE1 4.01Å; L104-F259 HydrophobicContact CD2-CE2 3.85Å; L104-F259 HydrophobicContact CD2-CZ 3.36Å; L104-F259 HydrophobicContact CG-CE1 4.42Å; L104-F259 HydrophobicContact CG-CZ 4.09Å
105M75.5Confident70.6Confident1 Ų162.9 Ų62.91%0.00533%0.326CS..Hα-helixtrans-61.7-40.3172.7-67.5-67.3-69.800112.1V101 K102 Q107 L108 T109 L267 Y270V101-M105 HydrophobicContact CG1-CG 3.82Å; V101-M105 PolarHBondContact O-N 3.39Å; K102-M105 PolarHBondContact O-N 2.99Å; K102-M105 VanDerWaalsContact O-N 3.16Å; M105-Q107 VanDerWaalsContact C-N 3.31Å; M105-Q107 PolarHBondContact O-N 2.91Å; M105-L108 PolarHBondContact O-N 3.43Å; M105-T109 WeakPolarHBondContact O-CB 3.33Å; M105-T109 WeakPolarHBondContact O-CG2 3.3Å; M105-T109 PolarHBondContact O-N 2.93Å; M105-T109 PolarHBondContact O-OG1 3.42Å; M105-L267 HydrophobicContact CE-CD2 3.69Å; M105-L267 HydrophobicContact SD-CD2 3.95Å; M105-Y270 HydrophobicContact CB-CD1 3.95Å; M105-Y270 HydrophobicContact CB-CD2 4.25Å; M105-Y270 HydrophobicContact CB-CE1 3.58Å; M105-Y270 HydrophobicContact CB-CE2 3.9Å; M105-Y270 HydrophobicContact CB-CG 4.27Å; M105-Y270 HydrophobicContact CE-CD1 4.18Å; M105-Y270 HydrophobicContact CE-CD2 3.78Å; M105-Y270 HydrophobicContact CE-CG 3.58Å; M105-Y270 HydrophobicContact CG-CE2 4.35Å
106D77.7Confident70.2Confident32 Ų3263.9 Ų63.917%0.17133%0.33CS..Hα-helixtrans-62.1-37.7175.5-72.3-34.8000111.6K102 L104 F110 C111 Y270 M278K102-D106 WeakPolarHBondContact CE-OD2 3.35Å; K102-D106 VanDerWaalsContact CG-OD2 3.31Å; K102-D106 WeakPolarHBondContact CG-OD2 3.36Å; K102-D106 IonicContact NZ-OD1 2.77Å; K102-D106 PolarHBondContact NZ-OD1 3.1Å; K102-D106 IonicContact NZ-OD2 2.72Å; K102-D106 PolarHBondContact NZ-OD2 3.42Å; K102-D106 PolarHBondContact O-N 3.45Å; L104-D106 VanDerWaalsContact C-N 3.33Å; L104-D106 PolarHBondContact O-N 2.92Å; D106-F110 WeakPolarHBondContact O-CA 3.48Å; D106-F110 WeakPolarHBondContact O-CB 3.45Å; D106-F110 PolarHBondContact O-N 2.76Å; D106-C111 PolarHBondContact O-N 2.94Å; D106-Y270 PolarHBondContact OD1-OH 3.49Å; D106-M278 HydrophobicContact CB-CE 4.18Å
107Q75.6Confident70.2Confident78 Ų7865 Ų6536%0.36434%0.337SS..Hα-helixtrans-70.8-35.1174.2-73.7174.6-6.200113.5P103 L104 M105 C111 A127P103-Q107 WeakPolarHBondContact O-CG 3.36Å; P103-Q107 PolarHBondContact O-N 3.39Å; L104-Q107 PolarHBondContact O-N 2.87Å; M105-Q107 VanDerWaalsContact C-N 3.31Å; M105-Q107 PolarHBondContact O-N 2.91Å; Q107-C111 WeakPolarHBondContact O-CB 3.24Å; Q107-A127 HydrophobicContact CB-CB 4.31Å; Q107-A127 PolarHBondContact O-N 3.13Å
108L77.1Confident69.8Low0 Ų066.4 Ų66.40%036%0.361CS..Hα-helixtrans-79.9-18.8-179.3-68.5166.3000113.9L104 M105 S125 F132 W158 L267L104-L108 HydrophobicContact CD1-CD1 3.9Å; L104-L108 HydrophobicContact CD1-CG 4.09Å; L104-L108 HydrophobicContact CG-CD1 3.91Å; L104-L108 WeakPolarHBondContact O-CB 3.42Å; L104-L108 VanDerWaalsContact O-CG 3.26Å; L104-L108 WeakPolarHBondContact O-CG 3.4Å; L104-L108 PolarHBondContact O-N 3.29Å; M105-L108 PolarHBondContact O-N 3.43Å; L108-S125 CarbonylContact C-O 3.49Å; L108-F132 HydrophobicContact CD1-CE1 3.63Å; L108-F132 HydrophobicContact CD1-CZ 4.19Å; L108-F132 HydrophobicContact CD2-CD1 4.41Å; L108-F132 HydrophobicContact CD2-CE1 4.16Å; L108-W158 HydrophobicContact CD2-CZ2 4.47Å; L108-W158 WeakPolarHBondContact O-CZ2 3.38Å; L108-W158 PolarHBondContact O-NE1 2.74Å; L108-L267 HydrophobicContact CB-CD2 3.97Å
109T77.1Confident69.4Low0 Ų067.4 Ų67.40%037%0.373CS..Hα-helixtrans-115.6-30.5-176.857.70000114.9M105 S125 L267 Y270 Y271M105-T109 WeakPolarHBondContact O-CB 3.33Å; M105-T109 WeakPolarHBondContact O-CG2 3.3Å; M105-T109 PolarHBondContact O-N 2.93Å; M105-T109 PolarHBondContact O-OG1 3.42Å; T109-S125 CarbonylContact C-O 3.58Å; T109-S125 WeakPolarHBondContact CA-O 3.31Å; T109-S125 PolarHBondContact N-O 2.84Å; T109-S125 PolarHBondContact O-N 2.87Å; T109-S125 VanDerWaalsContact O-N 3.08Å; T109-L267 HydrophobicContact CG2-CB 3.98Å; T109-L267 HydrophobicContact CG2-CD2 3.53Å; T109-L267 HydrophobicContact CG2-CG 4.35Å; T109-L267 WeakPolarHBondContact CG2-O 3.4Å; T109-Y270 HydrophobicContact CG2-CD1 4.01Å; T109-Y271 WeakPolarHBondContact O-CD2 3.48Å
110F77.1Confident68.9Low1 Ų162.8 Ų62.80%0.00434%0.343CS..Hα-helixtrans-127.89.4-172.3-58.3-70.6000114.7D106 K112 P121 S125 Y270 Y271 M274 F275 M278 Y279D106-F110 WeakPolarHBondContact O-CA 3.48Å; D106-F110 WeakPolarHBondContact O-CB 3.45Å; D106-F110 PolarHBondContact O-N 2.76Å; F110-K112 PolarHBondContact O-N 3.48Å; F110-P121 HydrophobicContact CD1-CG 4.39Å; F110-S125 WeakPolarHBondContact CA-OG 3.45Å; F110-S125 PolarHBondContact N-O 2.76Å; F110-Y270 HydrophobicContact CE2-CD1 4.25Å; F110-Y270 HydrophobicContact CE2-CE1 4.06Å; F110-Y271 AromaticContact CD1-CD2 3.6Å; F110-Y271 HydrophobicContact CD1-CD2 3.6Å; F110-Y271 AromaticContact CD1-CE2 3.67Å; F110-Y271 HydrophobicContact CD1-CE2 3.67Å; F110-Y271 AromaticContact CE1-CD2 3.25Å; F110-Y271 HydrophobicContact CE1-CD2 3.25Å; F110-Y271 AromaticContact CE1-CE2 3.53Å; F110-Y271 HydrophobicContact CE1-CE2 3.53Å; F110-Y271 AromaticContact CE1-CG 3.85Å; F110-Y271 HydrophobicContact CE1-CG 3.85Å; F110-Y271 AromaticContact CZ-CD2 3.97Å; F110-Y271 HydrophobicContact CZ-CD2 3.97Å; F110-Y271 HydrophobicContact CZ-CG 4.23Å; F110-Y271 WeakPolarHBondContact CZ-O 3.17Å; F110-M274 HydrophobicContact CE2-CB 3.54Å; F110-M274 HydrophobicContact CE2-CG 4.44Å; F110-M274 HydrophobicContact CZ-CB 3.56Å; F110-F275 HydrophobicContact CE1-CB 3.96Å; F110-F275 HydrophobicContact CE1-CD2 4.07Å; F110-F275 HydrophobicContact CZ-CB 4.26Å; F110-M278 HydrophobicContact CB-CE 3.8Å; F110-M278 HydrophobicContact CD2-CE 3.34Å; F110-M278 HydrophobicContact CD2-CG 4.35Å; F110-M278 HydrophobicContact CE2-CE 3.98Å; F110-M278 HydrophobicContact CE2-CG 4.09Å; F110-M278 HydrophobicContact CG-CE 3.7Å; F110-M278 HydrophobicContact CZ-CG 4.34Å; F110-Y279 AromaticContact CD1-CE2 3.9Å; F110-Y279 HydrophobicContact CD1-CE2 3.9Å; F110-Y279 HydrophobicContact CE1-CE2 4.35Å
111C77.7Confident68.5Low16 Ų1655.8 Ų55.811%0.10831%0.312CS..  trans-15.9113.3-173-174.10000114.7D106 Q107 S125 A127 C155D106-C111 PolarHBondContact O-N 2.94Å; Q107-C111 WeakPolarHBondContact O-CB 3.24Å; C111-S125 PolarHBondContact N-OG 3.02Å; C111-A127 HydrophobicContact CB-CB 4.34Å; C111-A127 WeakPolarHBondContact SG-CA 3.48Å; C111-C155 HydrophobicContact CB-CB 3.73Å; C111-C155 WeakPolarHBondContact CB-SG 3.48Å; C111-C155 PolarHBondContact O-SG 3.49Å; C111-C155 WeakPolarHBondContact SG-CA 3.36Å; C111-C155 WeakPolarHBondContact SG-CB 3.21Å; C111-C155 CovalentContact SG-SG 2.03Å; C111-C155 PolarHBondContact SG-SG 3.48Å
112K72.6Confident67.9Low103 Ų10361 Ų6145%0.44834%0.339SS..  trans-102120.2-179.4-62.7-175.7178-178.30109.6F110 Y279F110-K112 PolarHBondContact O-N 3.48Å; K112-Y279 VanDerWaalsContact CE-OH 3.26Å; K112-Y279 WeakPolarHBondContact CE-OH 3.39Å
113E64.4Low67.5Low84 Ų8459.1 Ų59.139%0.39334%0.337SS..SBendtrans-70.1-46.6176.6-61.5-147.4119.600111.4S153 R154 C155E113-S153 VanDerWaalsContact OE1-C 3.3Å; E113-S153 WeakPolarHBondContact OE1-CA 3.08Å; E113-S153 WeakPolarHBondContact OE1-CB 3.5Å; E113-R154 PolarHBondContact OE1-N 3.1Å; E113-C155 HydrophobicContact CG-CB 3.9Å; E113-C155 VanDerWaalsContact CG-SG 3.53Å; E113-C155 PolarHBondContact OE1-N 3.17Å
114N59.5Low67.4Low87 Ų8756.6 Ų56.647%0.46532%0.319SS..  trans-127.5144.9170.1-52.4-76.6000110.6T116 D117N114-T116 WeakPolarHBondContact CB-OG1 3.26Å; N114-T116 PolarHBondContact O-N 3.25Å; N114-D117 HydrophobicContact CB-CB 4.42Å; N114-D117 WeakPolarHBondContact CB-OD2 3.02Å; N114-D117 PolarHBondContact ND2-OD2 2.86Å; N114-D117 PolarHBondContact O-N 3.45Å; N114-D117 VanDerWaalsContact O-N 3.11Å
115E55.4Low67.4Low199 Ų19954.7 Ų54.793%0.9331%0.31SS*.THydrogen-bonded Turntrans-62.8-21.5172.6-63.6-172.114900112.9
116T51.4Low67.7Low122 Ų12254.7 Ų54.775%0.74831%0.31SS*.THydrogen-bonded Turntrans-81.9-14.4177.550.70000113.9N114 G118N114-T116 WeakPolarHBondContact CB-OG1 3.26Å; N114-T116 PolarHBondContact O-N 3.25Å; T116-G118 PolarHBondContact O-N 3.36Å
117D56Low67.8Low65 Ų6553.5 Ų53.535%0.34831%0.305SS..  trans-79.789.3-177.5-67.5-17.9000109.3N114 S119N114-D117 HydrophobicContact CB-CB 4.42Å; N114-D117 WeakPolarHBondContact CB-OD2 3.02Å; N114-D117 PolarHBondContact ND2-OD2 2.86Å; N114-D117 PolarHBondContact O-N 3.45Å; N114-D117 VanDerWaalsContact O-N 3.11Å; D117-S119 PolarHBondContact O-N 2.65Å
118G54.9Low67.8Low64 Ų6451.2 Ų51.266%0.6630%0.302SS*.  trans-67.310.7168.200000113.9T116 V120T116-G118 PolarHBondContact O-N 3.36Å; G118-V120 PolarHBondContact O-N 3.36Å
119S59.6Low67.5Low82 Ų8257.3 Ų57.357%0.57333%0.331SS*.PPolyproline II helixtrans-66.9117166.1530000109D117D117-S119 PolarHBondContact O-N 2.65Å
120V60Low67.1Low12 Ų1263.3 Ų63.37%0.07335%0.354CS..PPolyproline II helixtrans-76.6137.4172.3175.40000108.8G118 F275 Y279 Y282G118-V120 PolarHBondContact O-N 3.36Å; V120-F275 HydrophobicContact CG1-CD2 4.46Å; V120-F275 HydrophobicContact CG1-CE2 3.32Å; V120-F275 HydrophobicContact CG1-CZ 3.39Å; V120-Y279 HydrophobicContact CB-CD1 4.38Å; V120-Y279 HydrophobicContact CB-CG 4.35Å; V120-Y279 HydrophobicContact CG1-CD2 4.08Å; V120-Y279 HydrophobicContact CG1-CG 4.08Å; V120-Y279 HydrophobicContact CG2-CD1 3.48Å; V120-Y279 VanDerWaalsContact CG2-CD1 3.48Å; V120-Y279 HydrophobicContact CG2-CD2 4.37Å; V120-Y279 HydrophobicContact CG2-CE1 4.13Å; V120-Y279 HydrophobicContact CG2-CG 3.58Å; V120-Y282 HydrophobicContact CB-CD1 3.58Å; V120-Y282 HydrophobicContact CB-CD2 3.78Å; V120-Y282 HydrophobicContact CB-CE1 3.62Å; V120-Y282 HydrophobicContact CB-CE2 3.78Å; V120-Y282 HydrophobicContact CB-CG 3.66Å; V120-Y282 HydrophobicContact CG1-CD1 3.81Å; V120-Y282 HydrophobicContact CG1-CE1 3.98Å; V120-Y282 HydrophobicContact CG1-CG 4.24Å; V120-Y282 VanDerWaalsContact CG2-CB 3.44Å; V120-Y282 HydrophobicContact CG2-CD1 3.61Å; V120-Y282 HydrophobicContact CG2-CD2 3.28Å; V120-Y282 HydrophobicContact CG2-CE1 4.11Å; V120-Y282 HydrophobicContact CG2-CE2 3.79Å; V120-Y282 HydrophobicContact CG2-CG 3.15Å
121P65.8Low66.7Low24 Ų2464.8 Ų64.816%0.15637%0.365CS..PPolyproline II helixtrans-71.3133.817831.1-35.9000110F110 G123 Y271 Y279F110-P121 HydrophobicContact CD1-CG 4.39Å; P121-G123 WeakPolarHBondContact CB-O 3.44Å; P121-G123 PolarHBondContact O-N 2.65Å; P121-Y271 HydrophobicContact CG-CE2 4.47Å; P121-Y271 PolarHBondContact O-OH 2.88Å; P121-Y279 VanDerWaalsContact CD-CZ 3.43Å; P121-Y279 WeakPolarHBondContact CD-OH 3.4Å; P121-Y279 HydrophobicContact CG-CE2 4.07Å
122D61.3Low66.6Low128 Ų12865.4 Ų65.468%0.68437%0.366SS*.SBendtrans-67.9-10.9179.5-64.5-41.2000113.2K56K56-D122 WeakPolarHBondContact CB-O 3.43Å
123G66.5Low67Low18 Ų1862.6 Ų62.619%0.18635%0.354CS..SBendtrans-164.9-164.1179.200000111.3P121 S125 Y271P121-G123 WeakPolarHBondContact CB-O 3.44Å; P121-G123 PolarHBondContact O-N 2.65Å; G123-S125 PolarHBondContact O-N 3.13Å; G123-Y271 VanDerWaalsContact O-CE2 3.31Å; G123-Y271 WeakPolarHBondContact O-CE2 3.31Å; G123-Y271 PolarHBondContact O-OH 2.67Å
124L73.4Confident67.7Low18 Ų1858.6 Ų58.69%0.09434%0.336CS..  trans-71.4126.8174.1-80.670.9000110.1M264 L267 F268 Y271L124-M264 HydrophobicContact CD2-CE 4.09Å; L124-L267 HydrophobicContact CD2-CB 4.3Å; L124-F268 HydrophobicContact CD1-CD2 3.65Å; L124-F268 HydrophobicContact CD1-CE2 4.14Å; L124-F268 HydrophobicContact CD2-CB 4.44Å; L124-F268 HydrophobicContact CD2-CD2 4.46Å; L124-Y271 HydrophobicContact CB-CD2 4.43Å; L124-Y271 HydrophobicContact CD1-CD1 3.79Å; L124-Y271 HydrophobicContact CD1-CD2 3.69Å; L124-Y271 HydrophobicContact CD1-CE1 4.26Å; L124-Y271 HydrophobicContact CD1-CE2 4.13Å; L124-Y271 HydrophobicContact CD1-CG 3.48Å; L124-Y271 VanDerWaalsContact CD1-CG 3.48Å; L124-Y271 HydrophobicContact CG-CD2 3.65Å; L124-Y271 HydrophobicContact CG-CE2 4.3Å; L124-Y271 HydrophobicContact CG-CG 3.79Å
125S77.7Confident68.7Low15 Ų1555.8 Ų55.811%0.10532%0.322CS..EExtended strand (participates in β ladder)trans-113.8143.6175.359.10000111.4L108 T109 F110 C111 G123 G156L108-S125 CarbonylContact C-O 3.49Å; T109-S125 CarbonylContact C-O 3.58Å; T109-S125 WeakPolarHBondContact CA-O 3.31Å; T109-S125 PolarHBondContact N-O 2.84Å; T109-S125 PolarHBondContact O-N 2.87Å; T109-S125 VanDerWaalsContact O-N 3.08Å; F110-S125 WeakPolarHBondContact CA-OG 3.45Å; F110-S125 PolarHBondContact N-O 2.76Å; C111-S125 PolarHBondContact N-OG 3.02Å; G123-S125 PolarHBondContact O-N 3.13Å; S125-G156 WeakPolarHBondContact CA-O 3.03Å
126C80.6Confident69.6Low0 Ų046.8 Ų46.80%028%0.28CS..EExtended strand (participates in β ladder)trans-114.2144.8-175.553.40000111.5C146 C155 G156 W158C126-C146 HydrophobicContact CB-CB 3.71Å; C126-C146 WeakPolarHBondContact CB-SG 3.37Å; C126-C146 WeakPolarHBondContact SG-CA 2.95Å; C126-C146 WeakPolarHBondContact SG-CB 3.4Å; C126-C146 CovalentContact SG-SG 2.02Å; C126-C146 PolarHBondContact SG-SG 3.14Å; C126-C155 CarbonylContact O-C 3.37Å; C126-C155 VanDerWaalsContact O-CA 3.29Å; C126-C155 WeakPolarHBondContact O-CA 3.39Å; C126-G156 PolarHBondContact N-O 3.28Å; C126-G156 PolarHBondContact O-N 3.01Å; C126-G156 PolarHBondContact SG-O 3.04Å; C126-W158 HydrophobicContact CB-CD2 3.94Å; C126-W158 VanDerWaalsContact CB-CE2 3.48Å; C126-W158 HydrophobicContact CB-CE3 4.49Å; C126-W158 HydrophobicContact CB-CG 4.36Å; C126-W158 HydrophobicContact CB-CH2 4.26Å; C126-W158 HydrophobicContact CB-CZ2 3.68Å
127A80.8Confident70.3Confident8 Ų843.9 Ų43.97%0.06627%0.274CS..EExtended strand (participates in β ladder)trans-87.8113.2170.900000110.2Q107 C111 E129 Y130 S131Q107-A127 HydrophobicContact CB-CB 4.31Å; Q107-A127 PolarHBondContact O-N 3.13Å; C111-A127 HydrophobicContact CB-CB 4.34Å; C111-A127 WeakPolarHBondContact SG-CA 3.48Å; A127-E129 PolarHBondContact O-N 3.05Å; A127-E129 VanDerWaalsContact O-N 3.14Å; A127-Y130 HydrophobicContact CB-CD2 4.06Å; A127-Y130 CarbonylContact O-C 3.56Å; A127-Y130 PolarHBondContact O-N 2.82Å; A127-S131 WeakPolarHBondContact O-CB 3.03Å; A127-S131 PolarHBondContact O-N 3.37Å; A127-S131 PolarHBondContact O-OG 3.4Å
128G75.6Confident70.9Confident30 Ų3048.6 Ų48.631%0.30929%0.294SS..THydrogen-bonded Turntrans-62.2-24.6-172.800000114.9Y130 S131 R154G128-Y130 VanDerWaalsContact C-N 3.32Å; G128-S131 PolarHBondContact O-OG 2.88Å; G128-R154 PolarHBondContact N-O 3.27Å
129E70.5Confident71.6Confident127 Ų12747.7 Ų47.759%0.59327%0.274SS*.THydrogen-bonded Turntrans-74.1-20.3175.2-65.2178.6-161.100113.3A127 R154A127-E129 PolarHBondContact O-N 3.05Å; A127-E129 VanDerWaalsContact O-N 3.14Å; E129-R154 IonicContact OE1-NE 3.91Å
130Y68.6Low72.4Confident127 Ų12748.8 Ų48.850%0.49827%0.273SS..THydrogen-bonded Turntrans-125.8-7.3-171.9-57.7-64.1000114.2A127 G128 F132A127-Y130 HydrophobicContact CB-CD2 4.06Å; A127-Y130 CarbonylContact O-C 3.56Å; A127-Y130 PolarHBondContact O-N 2.82Å; G128-Y130 VanDerWaalsContact C-N 3.32Å; Y130-F132 PolarHBondContact O-N 2.81Å
131S68.6Low73.4Confident32 Ų3251.6 Ų51.622%0.22429%0.285CS..  trans-72.6105.6179.956.50000111.7A127 G128 C146A127-S131 WeakPolarHBondContact O-CB 3.03Å; A127-S131 PolarHBondContact O-N 3.37Å; A127-S131 PolarHBondContact O-OG 3.4Å; G128-S131 PolarHBondContact O-OG 2.88Å; S131-C146 WeakPolarHBondContact OG-CB 3.48Å
132F75.8Confident74.1Confident29 Ų2955.1 Ų55.113%0.12730%0.295CS..PPolyproline II helixtrans-74.2156.4158.357.1-87.4000110.1L108 Y130 V134 F259L108-F132 HydrophobicContact CD1-CE1 3.63Å; L108-F132 HydrophobicContact CD1-CZ 4.19Å; L108-F132 HydrophobicContact CD2-CD1 4.41Å; L108-F132 HydrophobicContact CD2-CE1 4.16Å; Y130-F132 PolarHBondContact O-N 2.81Å; F132-V134 HydrophobicContact CD2-CG2 4.04Å; F132-V134 HydrophobicContact CE2-CG2 3.82Å; F132-V134 PolarHBondContact O-N 2.94Å; F132-F259 AromaticContact CE1-CD1 3.76Å; F132-F259 HydrophobicContact CE1-CD1 3.76Å; F132-F259 HydrophobicContact CE1-CE1 4.26Å; F132-F259 AromaticContact CZ-CD1 3.73Å; F132-F259 HydrophobicContact CZ-CD1 3.73Å; F132-F259 HydrophobicContact CZ-CE1 4.43Å
133Q81.1Confident75.2Confident44 Ų4449.7 Ų49.721%0.20627%0.266CS..PPolyproline II helixtrans-68.1125.1169.5-68.1166.861.900109.1F143 Y144 F169 Q174Q133-F143 HydrophobicContact CB-CD2 4Å; Q133-F143 HydrophobicContact CG-CD2 4.03Å; Q133-F143 HydrophobicContact CG-CE2 4.13Å; Q133-Y144 WeakPolarHBondContact CA-O 3.35Å; Q133-F169 HydrophobicContact CB-CE2 3.89Å; Q133-F169 HydrophobicContact CB-CZ 3.52Å; Q133-F169 VanDerWaalsContact OE1-CE2 3.32Å; Q133-Q174 PolarHBondContact NE2-O 2.87Å; Q133-Q174 PolarHBondContact O-NE2 3.27Å; Q133-Q174 VanDerWaalsContact O-NE2 3.15Å; Q133-Q174 PolarHBondContact OE1-O 3.05Å
134V79.7Confident75.9Confident0 Ų050.3 Ų50.30%026%0.262CS..EExtended strand (participates in β ladder)trans-102.5126.6-172.6-173.70000109.5F132 F143 Y144 W158 F262 M264 L267F132-V134 HydrophobicContact CD2-CG2 4.04Å; F132-V134 HydrophobicContact CE2-CG2 3.82Å; F132-V134 PolarHBondContact O-N 2.94Å; V134-F143 CarbonylContact O-C 3.56Å; V134-F143 VanDerWaalsContact O-CA 3.23Å; V134-F143 WeakPolarHBondContact O-CA 3.01Å; V134-Y144 PolarHBondContact N-O 3.12Å; V134-Y144 PolarHBondContact O-N 2.79Å; V134-W158 HydrophobicContact CB-CZ3 4.44Å; V134-W158 HydrophobicContact CG2-CH2 3.39Å; V134-W158 HydrophobicContact CG2-CZ2 4.17Å; V134-W158 HydrophobicContact CG2-CZ3 3.6Å; V134-F262 WeakPolarHBondContact CG1-O 3.13Å; V134-M264 HydrophobicContact CB-CG 3.96Å; V134-M264 HydrophobicContact CB-SD 3.89Å; V134-M264 HydrophobicContact CG1-CB 4.31Å; V134-M264 HydrophobicContact CG1-CG 3.67Å; V134-M264 VanDerWaalsContact CG1-N 3.33Å; V134-M264 HydrophobicContact CG1-SD 3.81Å; V134-M264 HydrophobicContact CG2-SD 4.11Å; V134-L267 HydrophobicContact CB-CD1 4.49Å; V134-L267 HydrophobicContact CG1-CD1 3.97Å; V134-L267 HydrophobicContact CG2-CD1 3.79Å
135P78.8Confident76.4Confident28 Ų2853.2 Ų53.218%0.18228%0.276CS..EExtended strand (participates in β ladder)trans-65147175.727.2-33.2000111.4G137 F169 I171 G263 M264P135-G137 PolarHBondContact O-N 2.79Å; P135-F169 HydrophobicContact CB-CD1 3.94Å; P135-F169 HydrophobicContact CB-CE1 4.21Å; P135-I171 HydrophobicContact CG-CD1 3.97Å; P135-G263 WeakPolarHBondContact O-CA 3.31Å; P135-M264 PolarHBondContact O-N 2.01Å; P135-M264 VanDerWaalsContact O-N 3.1Å
136D75.1Confident76.7Confident10 Ų1053.3 Ų53.35%0.05328%0.276CS..PPolyproline II helixtrans-74.1120.5159.8-166.6-25.5000108.8E138 N139 R142 Y144 Q265D136-E138 PolarHBondContact O-N 3.45Å; D136-E138 PolarHBondContact OD1-N 3.37Å; D136-N139 CarbonylContact O-C 3.56Å; D136-N139 PolarHBondContact O-N 3.11Å; D136-R142 HydrophobicContact CB-CB 3.6Å; D136-R142 WeakPolarHBondContact CB-O 3.49Å; D136-R142 PolarHBondContact N-O 2.96Å; D136-Y144 HydrophobicContact CB-CE2 3.88Å; D136-Q265 PolarHBondContact OD1-NE2 2.92Å
137G66.9Low76.8Confident60 Ų6057.1 Ų57.162%0.61929%0.294SS*.SBendtrans-67.5-14.6179.200000114.5P135 Q265P135-G137 PolarHBondContact O-N 2.79Å; G137-Q265 VanDerWaalsContact CA-OE1 3.29Å
138E67.2Low76.9Confident164 Ų16460.3 Ų60.377%0.76631%0.309SS*.SBendtrans-96.9-29.5176.4-71.1174.6-158.800112.7D136D136-E138 PolarHBondContact O-N 3.45Å; D136-E138 PolarHBondContact OD1-N 3.37Å
139N71Confident76.7Confident46 Ų4668.1 Ų68.125%0.24633%0.329CS..  trans-136.8107.9-175.8-171.6-24.4000112.3D136 Q141 R142D136-N139 CarbonylContact O-C 3.56Å; D136-N139 PolarHBondContact O-N 3.11Å; N139-Q141 PolarHBondContact O-N 3.41Å; N139-Q141 WeakPolarHBondContact OD1-CB 3.44Å; N139-Q141 PolarHBondContact OD1-N 3.39Å; N139-R142 HydrophobicContact CB-CB 4.2Å; N139-R142 HydrophobicContact CB-CG 4.1Å; N139-R142 WeakPolarHBondContact O-CB 3.38Å; N139-R142 PolarHBondContact O-N 3.46Å
140I76Confident76.9Confident105 Ų10567.1 Ų67.154%0.53833%0.328SS..THydrogen-bonded Turntrans-62.1-11.5-179.469.3-177.9000115.1I168 F169I140-I168 HydrophobicContact CB-CG2 4.07Å; I140-I168 HydrophobicContact CD1-CD1 3.76Å; I140-I168 HydrophobicContact CD1-CG1 3.92Å; I140-I168 HydrophobicContact CD1-CG2 4.31Å; I140-I168 HydrophobicContact CG1-CG1 4.21Å; I140-I168 HydrophobicContact CG1-CG2 4.26Å; I140-F169 PolarHBondContact O-N 2.83Å
141Q80.9Confident77.1Confident71 Ų7166.5 Ų66.533%0.33234%0.342SS..THydrogen-bonded Turntrans-92.6-2.5173.5-50.3-166.1-69.500112.7N139 C163 H167N139-Q141 PolarHBondContact O-N 3.41Å; N139-Q141 WeakPolarHBondContact OD1-CB 3.44Å; N139-Q141 PolarHBondContact OD1-N 3.39Å; Q141-C163 WeakPolarHBondContact O-CB 3.46Å; Q141-C163 PolarHBondContact O-N 3.43Å; Q141-H167 PolarHBondContact NE2-O 2.79Å
142R80.5Confident77.3Confident98 Ų9872 Ų7237%0.3737%0.37SS..EExtended strand (participates in β ladder)trans-113.6140.1-177.7-71.3-177.2-173.5170.50.5110.1D136 N139 L160 M161 I162D136-R142 HydrophobicContact CB-CB 3.6Å; D136-R142 WeakPolarHBondContact CB-O 3.49Å; D136-R142 PolarHBondContact N-O 2.96Å; N139-R142 HydrophobicContact CB-CB 4.2Å; N139-R142 HydrophobicContact CB-CG 4.1Å; N139-R142 WeakPolarHBondContact O-CB 3.38Å; N139-R142 PolarHBondContact O-N 3.46Å; R142-L160 HydrophobicContact CB-CD1 3.91Å; R142-L160 HydrophobicContact CG-CD1 4.25Å; R142-M161 WeakPolarHBondContact CA-O 3.29Å; R142-I162 HydrophobicContact CG-CG1 4.46Å
143F83.8Confident77.3Confident14 Ų1471.4 Ų71.46%0.06137%0.368CS..EExtended strand (participates in β ladder)trans-144.9159.3175.167.2-82.8000109.4Q133 V134 Q145 M161 F169 C176Q133-F143 HydrophobicContact CB-CD2 4Å; Q133-F143 HydrophobicContact CG-CD2 4.03Å; Q133-F143 HydrophobicContact CG-CE2 4.13Å; V134-F143 CarbonylContact O-C 3.56Å; V134-F143 VanDerWaalsContact O-CA 3.23Å; V134-F143 WeakPolarHBondContact O-CA 3.01Å; F143-Q145 HydrophobicContact CE2-CB 4.45Å; F143-M161 HydrophobicContact CD1-CB 3.94Å; F143-M161 HydrophobicContact CD2-CB 3.83Å; F143-M161 HydrophobicContact CD2-CG 4.35Å; F143-M161 HydrophobicContact CE1-CB 3.52Å; F143-M161 HydrophobicContact CE2-CB 3.42Å; F143-M161 VanDerWaalsContact CE2-CB 3.42Å; F143-M161 HydrophobicContact CE2-CG 3.77Å; F143-M161 HydrophobicContact CG-CB 4.09Å; F143-M161 HydrophobicContact CZ-CB 3.27Å; F143-M161 HydrophobicContact CZ-CG 3.95Å; F143-M161 PolarHBondContact N-O 3.18Å; F143-M161 WeakPolarHBondContact O-CA 3.48Å; F143-M161 WeakPolarHBondContact O-CB 3.05Å; F143-M161 PolarHBondContact O-N 2.84Å; F143-M161 VanDerWaalsContact O-O 3.09Å; F143-F169 HydrophobicContact CB-CB 4.21Å; F143-F169 HydrophobicContact CB-CD1 3.73Å; F143-F169 HydrophobicContact CB-CD2 3.75Å; F143-F169 HydrophobicContact CB-CE1 4.03Å; F143-F169 HydrophobicContact CB-CE2 4.07Å; F143-F169 HydrophobicContact CB-CG 3.59Å; F143-F169 HydrophobicContact CB-CZ 4.2Å; F143-F169 HydrophobicContact CD1-CB 4.27Å; F143-F169 AromaticContact CD1-CD2 3.76Å; F143-F169 HydrophobicContact CD1-CD2 3.76Å; F143-F169 HydrophobicContact CD1-CE2 4.45Å; F143-F169 HydrophobicContact CD1-CG 4.1Å; F143-F169 HydrophobicContact CD2-CD2 4.26Å; F143-F169 HydrophobicContact CD2-CE2 4.15Å; F143-F169 HydrophobicContact CE1-CD2 4.41Å; F143-F169 AromaticContact CG-CD2 3.66Å; F143-F169 HydrophobicContact CG-CD2 3.66Å; F143-F169 AromaticContact CG-CE2 3.98Å; F143-F169 HydrophobicContact CG-CE2 3.98Å; F143-F169 AromaticContact CG-CG 3.99Å; F143-F169 HydrophobicContact CG-CG 3.99Å; F143-C176 WeakPolarHBondContact CE1-SG 3.42Å
144Y82.1Confident77.1Confident31 Ų3176.7 Ų76.712%0.12239%0.387CS..EExtended strand (participates in β ladder)trans-113130.8-179.6-66.4-109.8000108.8P58 Q133 V134 D136 H159 L160 M264P58-Y144 HydrophobicContact CG-CE1 4.44Å; Q133-Y144 WeakPolarHBondContact CA-O 3.35Å; V134-Y144 PolarHBondContact N-O 3.12Å; V134-Y144 PolarHBondContact O-N 2.79Å; D136-Y144 HydrophobicContact CB-CE2 3.88Å; Y144-H159 WeakPolarHBondContact CA-O 3.36Å; Y144-L160 HydrophobicContact CD1-CB 4.25Å; Y144-L160 HydrophobicContact CD1-CD1 4.38Å; Y144-L160 HydrophobicContact CD2-CD1 4.06Å; Y144-L160 HydrophobicContact CE1-CB 4.02Å; Y144-L160 HydrophobicContact CE1-CD1 4.03Å; Y144-L160 HydrophobicContact CE2-CD1 3.69Å; Y144-L160 HydrophobicContact CG-CD1 4.41Å; Y144-M264 HydrophobicContact CD1-CE 4.11Å; Y144-M264 HydrophobicContact CD1-CG 3.95Å; Y144-M264 HydrophobicContact CD2-CB 3.98Å; Y144-M264 HydrophobicContact CD2-CG 3.2Å; Y144-M264 HydrophobicContact CE1-CG 4.32Å; Y144-M264 HydrophobicContact CE2-CB 3.92Å; Y144-M264 HydrophobicContact CE2-CG 3.64Å; Y144-M264 HydrophobicContact CG-CB 4.46Å; Y144-M264 HydrophobicContact CG-CE 4.31Å; Y144-M264 HydrophobicContact CG-CG 3.36Å; Y144-M264 HydrophobicContact CG-SD 4.2Å
145Q83.5Confident77.2Confident79 Ų7977.5 Ų77.537%0.36939%0.392SS..EExtended strand (participates in β ladder)trans-113.9147.4177.6-176.7168.8-2.400109.2F143 H159 M161F143-Q145 HydrophobicContact CE2-CB 4.45Å; Q145-H159 PolarHBondContact N-O 3.14Å; Q145-H159 PolarHBondContact O-N 2.88Å; Q145-M161 HydrophobicContact CB-CG 3.96Å
146C84.2Confident77.3Confident17 Ų1776.3 Ų76.312%0.11539%0.385CS..EExtended strand (participates in β ladder)trans-82.3119.7171.8-170.70000109.9C126 S131C126-C146 HydrophobicContact CB-CB 3.71Å; C126-C146 WeakPolarHBondContact CB-SG 3.37Å; C126-C146 WeakPolarHBondContact SG-CA 2.95Å; C126-C146 WeakPolarHBondContact SG-CB 3.4Å; C126-C146 CovalentContact SG-SG 2.02Å; C126-C146 PolarHBondContact SG-SG 3.14Å; S131-C146 WeakPolarHBondContact OG-CB 3.48Å
147E82.4Confident77.5Confident79 Ų7979.2 Ų79.237%0.36940%0.399SS..EExtended strand (participates in β ladder)trans-103.8120.5169.3-76-173.3-143.500109.8G156 E157 H159E147-G156 CarbonylContact O-C 3.55Å; E147-G156 WeakPolarHBondContact O-CA 3.46Å; E147-E157 PolarHBondContact N-O 2.95Å; E147-E157 PolarHBondContact O-N 3.19Å; E147-H159 HydrophobicContact CB-CB 4.48Å; E147-H159 HydrophobicContact CG-CB 4.09Å; E147-H159 IonicContact OE1-CE1 2.81Å; E147-H159 IonicContact OE1-CG 3.56Å; E147-H159 IonicContact OE1-ND1 3.93Å; E147-H159 PolarHBondContact OE1-ND1 3.28Å; E147-H159 IonicContact OE2-CE1 3.77Å; E147-H159 PolarHBondContact OE2-CE1 3.24Å; E147-H159 VanDerWaalsContact OE2-CE1 3.27Å; E147-H159 IonicContact OE2-ND1 3.27Å; E147-H159 PolarHBondContact OE2-ND1 2.9Å
148L81.9Confident78.2Confident76 Ų7676.7 Ų76.740%0.39837%0.37SS..EExtended strand (participates in β ladder)trans-76.1126.6178-68.8178.2000110.3N150 S153L148-N150 PolarHBondContact O-N 3.31Å; L148-S153 WeakPolarHBondContact CD2-O 3.27Å
149R72.5Confident78.8Confident193 Ų19371 Ų7173%0.72834%0.343SS*.SBendtrans-64-29.5-178.4-162.8176-169.2-172.410.5113
150N75Confident79.2Confident107 Ų10770 Ų7057%0.57234%0.338SS*.SBendtrans-137.6157170.5-68.8-66.6000109.8L148 N152 S153L148-N150 PolarHBondContact O-N 3.31Å; N150-N152 PolarHBondContact O-N 2.98Å; N150-S153 PolarHBondContact N-OG 3.44Å; N150-S153 PolarHBondContact O-N 3.15Å; N150-S153 PolarHBondContact O-OG 2.95Å
151S72.9Confident79.4Confident113 Ų11367.7 Ų67.779%0.7933%0.326SS*.THydrogen-bonded Turntrans-61.1-17.2171.459.10000114.2
152N71.9Confident79.6Confident149 Ų14969.8 Ų69.880%0.79734%0.338SS*.THydrogen-bonded Turntrans-109.5-6.5-174.7-58.74.7000112.8N150N150-N152 PolarHBondContact O-N 2.98Å
153S75.6Confident79.8Confident15 Ų1565.6 Ų65.611%0.10532%0.323CS..  trans-79.5134.6173.748.80000109.2E113 L148 N150 C155E113-S153 VanDerWaalsContact OE1-C 3.3Å; E113-S153 WeakPolarHBondContact OE1-CA 3.08Å; E113-S153 WeakPolarHBondContact OE1-CB 3.5Å; L148-S153 WeakPolarHBondContact CD2-O 3.27Å; N150-S153 PolarHBondContact N-OG 3.44Å; N150-S153 PolarHBondContact O-N 3.15Å; N150-S153 PolarHBondContact O-OG 2.95Å; S153-C155 WeakPolarHBondContact CB-O 3.43Å; S153-C155 PolarHBondContact OG-O 3.38Å
154R77.8Confident79.7Confident155 Ų15570.5 Ų70.559%0.58535%0.351SS*.SBendtrans-73.3-26.2170.6-80.6-176.6161.2171.2-2.4111.5E113 G128 E129E113-R154 PolarHBondContact OE1-N 3.1Å; G128-R154 PolarHBondContact N-O 3.27Å; E129-R154 IonicContact OE1-NE 3.91Å
155C81.3Confident79.2Confident17 Ų1777.4 Ų77.412%0.11538%0.384CS..EExtended strand (participates in β ladder)trans-104.6144.1-176.2-56.80000111.9C111 E113 C126 S153C111-C155 HydrophobicContact CB-CB 3.73Å; C111-C155 WeakPolarHBondContact CB-SG 3.48Å; C111-C155 PolarHBondContact O-SG 3.49Å; C111-C155 WeakPolarHBondContact SG-CA 3.36Å; C111-C155 WeakPolarHBondContact SG-CB 3.21Å; C111-C155 CovalentContact SG-SG 2.03Å; C111-C155 PolarHBondContact SG-SG 3.48Å; E113-C155 HydrophobicContact CG-CB 3.9Å; E113-C155 VanDerWaalsContact CG-SG 3.53Å; E113-C155 PolarHBondContact OE1-N 3.17Å; C126-C155 CarbonylContact O-C 3.37Å; C126-C155 VanDerWaalsContact O-CA 3.29Å; C126-C155 WeakPolarHBondContact O-CA 3.39Å; S153-C155 WeakPolarHBondContact CB-O 3.43Å; S153-C155 PolarHBondContact OG-O 3.38Å
156G80.5Confident78.6Confident4 Ų481.1 Ų81.14%0.04140%0.401CS..EExtended strand (participates in β ladder)trans-132.9-176.5176.700000111.6S125 C126 E147S125-G156 WeakPolarHBondContact CA-O 3.03Å; C126-G156 PolarHBondContact N-O 3.28Å; C126-G156 PolarHBondContact O-N 3.01Å; C126-G156 PolarHBondContact SG-O 3.04Å; E147-G156 CarbonylContact O-C 3.55Å; E147-G156 WeakPolarHBondContact O-CA 3.46Å
157E80.4Confident78.5Confident71 Ų7182.5 Ų82.533%0.33241%0.406SS..EExtended strand (participates in β ladder)trans-110.9145.7179.8-62.9-178.9-149.900109.6E147 H159E147-E157 PolarHBondContact N-O 2.95Å; E147-E157 PolarHBondContact O-N 3.19Å; E157-H159 PolarHBondContact O-N 2.85Å
158W80.3Confident78.5Confident6 Ų681 Ų812%0.02340%0.4CS..EExtended strand (participates in β ladder)trans-79.7113.6178.5-76.4108.2000110.7L108 C126 V134 M264 L267L108-W158 HydrophobicContact CD2-CZ2 4.47Å; L108-W158 WeakPolarHBondContact O-CZ2 3.38Å; L108-W158 PolarHBondContact O-NE1 2.74Å; C126-W158 HydrophobicContact CB-CD2 3.94Å; C126-W158 VanDerWaalsContact CB-CE2 3.48Å; C126-W158 HydrophobicContact CB-CE3 4.49Å; C126-W158 HydrophobicContact CB-CG 4.36Å; C126-W158 HydrophobicContact CB-CH2 4.26Å; C126-W158 HydrophobicContact CB-CZ2 3.68Å; V134-W158 HydrophobicContact CB-CZ3 4.44Å; V134-W158 HydrophobicContact CG2-CH2 3.39Å; V134-W158 HydrophobicContact CG2-CZ2 4.17Å; V134-W158 HydrophobicContact CG2-CZ3 3.6Å; W158-M264 HydrophobicContact CB-CE 3.92Å; W158-M264 HydrophobicContact CD2-CE 3.94Å; W158-M264 HydrophobicContact CD2-SD 4.07Å; W158-M264 HydrophobicContact CE3-SD 4.31Å; W158-M264 HydrophobicContact CG-CE 3.65Å; W158-M264 HydrophobicContact CG-SD 4.42Å; W158-L267 HydrophobicContact CZ2-CD1 4.22Å
159H79.7Confident78.4Confident44 Ų4478 Ų7820%0.20438%0.383CS..EExtended strand (participates in β ladder)trans-106126.8-176.3-87-143000111V61 Y144 Q145 E147 E157 M161V61-H159 HydrophobicContact CG2-CB 3.6Å; Y144-H159 WeakPolarHBondContact CA-O 3.36Å; Q145-H159 PolarHBondContact N-O 3.14Å; Q145-H159 PolarHBondContact O-N 2.88Å; E147-H159 HydrophobicContact CB-CB 4.48Å; E147-H159 HydrophobicContact CG-CB 4.09Å; E147-H159 IonicContact OE1-CE1 2.81Å; E147-H159 IonicContact OE1-CG 3.56Å; E147-H159 IonicContact OE1-ND1 3.93Å; E147-H159 PolarHBondContact OE1-ND1 3.28Å; E147-H159 IonicContact OE2-CE1 3.77Å; E147-H159 PolarHBondContact OE2-CE1 3.24Å; E147-H159 VanDerWaalsContact OE2-CE1 3.27Å; E147-H159 IonicContact OE2-ND1 3.27Å; E147-H159 PolarHBondContact OE2-ND1 2.9Å; E157-H159 PolarHBondContact O-N 2.85Å; H159-M161 PolarHBondContact O-N 3.15Å
160L80.6Confident78.7Confident27 Ų2771 Ų7114%0.14136%0.361CS..EExtended strand (participates in β ladder)trans-76.2117.8178.4177.563000111.3A60 V61 R142 Y144A60-L160 HydrophobicContact CB-CB 4.13Å; A60-L160 HydrophobicContact CB-CD2 4.05Å; V61-L160 WeakPolarHBondContact CG2-O 3.49Å; V61-L160 PolarHBondContact N-O 3.44Å; R142-L160 HydrophobicContact CB-CD1 3.91Å; R142-L160 HydrophobicContact CG-CD1 4.25Å; Y144-L160 HydrophobicContact CD1-CB 4.25Å; Y144-L160 HydrophobicContact CD1-CD1 4.38Å; Y144-L160 HydrophobicContact CD2-CD1 4.06Å; Y144-L160 HydrophobicContact CE1-CB 4.02Å; Y144-L160 HydrophobicContact CE1-CD1 4.03Å; Y144-L160 HydrophobicContact CE2-CD1 3.69Å; Y144-L160 HydrophobicContact CG-CD1 4.41Å
161M80Confident78.8Confident56 Ų5667 Ų6728%0.27634%0.339SS..EExtended strand (participates in β ladder)trans-106.3150.4175.6-61.6-64.4-79.700110.9V61 R142 F143 Q145 H159V61-M161 HydrophobicContact CG2-SD 3.82Å; R142-M161 WeakPolarHBondContact CA-O 3.29Å; F143-M161 HydrophobicContact CD1-CB 3.94Å; F143-M161 HydrophobicContact CD2-CB 3.83Å; F143-M161 HydrophobicContact CD2-CG 4.35Å; F143-M161 HydrophobicContact CE1-CB 3.52Å; F143-M161 HydrophobicContact CE2-CB 3.42Å; F143-M161 VanDerWaalsContact CE2-CB 3.42Å; F143-M161 HydrophobicContact CE2-CG 3.77Å; F143-M161 HydrophobicContact CG-CB 4.09Å; F143-M161 HydrophobicContact CZ-CB 3.27Å; F143-M161 HydrophobicContact CZ-CG 3.95Å; F143-M161 PolarHBondContact N-O 3.18Å; F143-M161 WeakPolarHBondContact O-CA 3.48Å; F143-M161 WeakPolarHBondContact O-CB 3.05Å; F143-M161 PolarHBondContact O-N 2.84Å; F143-M161 VanDerWaalsContact O-O 3.09Å; Q145-M161 HydrophobicContact CB-CG 3.96Å; H159-M161 PolarHBondContact O-N 3.15Å
162I84.5Confident78.9Confident115 Ų11566 Ų6659%0.5933%0.332SS*.EExtended strand (participates in β ladder)trans-124.4126.6-178.5-48.9179.8000108.4R142R142-I162 HydrophobicContact CG-CG1 4.46Å
163C83.9Confident79.2Confident9 Ų962.4 Ų62.46%0.06132%0.316CS..PPolyproline II helixtrans-65.5151.3171-68.70000111.2Q141 H167 C176Q141-C163 WeakPolarHBondContact O-CB 3.46Å; Q141-C163 PolarHBondContact O-N 3.43Å; C163-H167 HydrophobicContact CB-CB 3.99Å; C163-C176 WeakPolarHBondContact CA-SG 3.45Å; C163-C176 HydrophobicContact CB-CB 3.7Å; C163-C176 WeakPolarHBondContact CB-SG 3.48Å; C163-C176 WeakPolarHBondContact SG-CB 3.46Å; C163-C176 CovalentContact SG-SG 2.04Å; C163-C176 PolarHBondContact SG-SG 2.99Å
164N82.2Confident79.4Confident118 Ų11864 Ų6463%0.63132%0.322SS*.PPolyproline II helixtrans-57.3157.8173-68-30.3000111.9Q166 H167N164-Q166 PolarHBondContact O-N 3.3Å; N164-H167 WeakPolarHBondContact O-CB 3.37Å; N164-H167 PolarHBondContact O-N 3.48Å
165E71.6Confident79.6Confident175 Ų17558.4 Ų58.482%0.81831%0.308SS*.THydrogen-bonded Turntrans-47.8136.1172.5-64.2-178.6-172.700111.1H167E165-H167 PolarHBondContact O-N 2.97Å
166Q72.2Confident79.7Confident157 Ų15759.3 Ų59.373%0.73431%0.314SS*.THydrogen-bonded Turntrans70.6-3.5-176.2-47.6175.31.900116.6N164N164-Q166 PolarHBondContact O-N 3.3Å
167H81.4Confident79.8Confident46 Ų4662.4 Ų62.421%0.21333%0.33CS..EExtended strand (participates in β ladder)trans-93.3148.6173.5-65.3-156.9000111.3Q141 C163 N164 E165 C176 N177Q141-H167 PolarHBondContact NE2-O 2.79Å; C163-H167 HydrophobicContact CB-CB 3.99Å; N164-H167 WeakPolarHBondContact O-CB 3.37Å; N164-H167 PolarHBondContact O-N 3.48Å; E165-H167 PolarHBondContact O-N 2.97Å; H167-C176 HydrophobicContact CB-CB 4Å; H167-C176 PolarHBondContact ND1-O 3Å; H167-N177 CarbonylContact C-O 3.5Å; H167-N177 VanDerWaalsContact CA-O 3.22Å; H167-N177 WeakPolarHBondContact CA-O 3.48Å
168I82.7Confident79.6Confident47 Ų4764.2 Ų64.224%0.24134%0.34CS..EExtended strand (participates in β ladder)trans-117.4138.6173.4-66.2175.3000107.5I140 D170 C176 N177 D179I140-I168 HydrophobicContact CB-CG2 4.07Å; I140-I168 HydrophobicContact CD1-CD1 3.76Å; I140-I168 HydrophobicContact CD1-CG1 3.92Å; I140-I168 HydrophobicContact CD1-CG2 4.31Å; I140-I168 HydrophobicContact CG1-CG1 4.21Å; I140-I168 HydrophobicContact CG1-CG2 4.26Å; I168-D170 PolarHBondContact O-N 3.33Å; I168-C176 CarbonylContact O-C 3.59Å; I168-C176 WeakPolarHBondContact O-CA 3.24Å; I168-N177 PolarHBondContact N-O 2.88Å; I168-N177 PolarHBondContact O-N 2.02Å; I168-D179 HydrophobicContact CD1-CB 3.62Å; I168-D179 HydrophobicContact CG1-CB 4.32Å
169F80.5Confident78.8Confident13 Ų1365.8 Ų65.86%0.05735%0.35CS..EExtended strand (participates in β ladder)trans-74.9120.2172.4179.6-104.6000110.5Q133 P135 I140 F143 I171Q133-F169 HydrophobicContact CB-CE2 3.89Å; Q133-F169 HydrophobicContact CB-CZ 3.52Å; Q133-F169 VanDerWaalsContact OE1-CE2 3.32Å; P135-F169 HydrophobicContact CB-CD1 3.94Å; P135-F169 HydrophobicContact CB-CE1 4.21Å; I140-F169 PolarHBondContact O-N 2.83Å; F143-F169 HydrophobicContact CB-CB 4.21Å; F143-F169 HydrophobicContact CB-CD1 3.73Å; F143-F169 HydrophobicContact CB-CD2 3.75Å; F143-F169 HydrophobicContact CB-CE1 4.03Å; F143-F169 HydrophobicContact CB-CE2 4.07Å; F143-F169 HydrophobicContact CB-CG 3.59Å; F143-F169 HydrophobicContact CB-CZ 4.2Å; F143-F169 HydrophobicContact CD1-CB 4.27Å; F143-F169 AromaticContact CD1-CD2 3.76Å; F143-F169 HydrophobicContact CD1-CD2 3.76Å; F143-F169 HydrophobicContact CD1-CE2 4.45Å; F143-F169 HydrophobicContact CD1-CG 4.1Å; F143-F169 HydrophobicContact CD2-CD2 4.26Å; F143-F169 HydrophobicContact CD2-CE2 4.15Å; F143-F169 HydrophobicContact CE1-CD2 4.41Å; F143-F169 AromaticContact CG-CD2 3.66Å; F143-F169 HydrophobicContact CG-CD2 3.66Å; F143-F169 AromaticContact CG-CE2 3.98Å; F143-F169 HydrophobicContact CG-CE2 3.98Å; F143-F169 AromaticContact CG-CG 3.99Å; F143-F169 HydrophobicContact CG-CG 3.99Å; F169-I171 HydrophobicContact CE1-CB 4.15Å
170D78.8Confident77.7Confident46 Ų4672.1 Ų72.125%0.24638%0.379CS..EExtended strand (participates in β ladder)trans-103.8108.5175.8169.517.6000110I168 S172 T173 Q174 A175 N177I168-D170 PolarHBondContact O-N 3.33Å; D170-S172 VanDerWaalsContact CG-OG 3.27Å; D170-S172 PolarHBondContact O-N 2.77Å; D170-S172 VanDerWaalsContact O-N 3.17Å; D170-S172 VanDerWaalsContact OD1-CB 3.32Å; D170-S172 WeakPolarHBondContact OD1-CB 3.49Å; D170-S172 PolarHBondContact OD1-N 3.35Å; D170-S172 PolarHBondContact OD1-OG 3.03Å; D170-S172 PolarHBondContact OD2-OG 3.49Å; D170-S172 VanDerWaalsContact OD2-OG 3.13Å; D170-T173 WeakPolarHBondContact CB-OG1 3.15Å; D170-T173 PolarHBondContact O-N 2.89Å; D170-T173 WeakPolarHBondContact OD2-CB 3.3Å; D170-T173 VanDerWaalsContact OD2-CG2 3.28Å; D170-T173 WeakPolarHBondContact OD2-CG2 3.46Å; D170-T173 PolarHBondContact OD2-OG1 2.85Å; D170-Q174 PolarHBondContact O-N 2.83Å; D170-A175 PolarHBondContact N-O 3.32Å; D170-A175 PolarHBondContact O-N 3.08Å; D170-N177 PolarHBondContact OD2-ND2 3.41Å
171I76.4Confident76.4Confident25 Ų2575.8 Ų75.813%0.12840%0.403CS..THydrogen-bonded Turntrans-58.3-28.1179-167.2174.7000112.9P135 F169 Q174 F259P135-I171 HydrophobicContact CG-CD1 3.97Å; F169-I171 HydrophobicContact CE1-CB 4.15Å; I171-Q174 PolarHBondContact O-NE2 2.9Å; I171-F259 WeakPolarHBondContact CD1-O 2.98Å
172S74.5Confident74.4Confident90 Ų9080.4 Ų80.463%0.62942%0.424SS*.THydrogen-bonded Turntrans-76.7-30.5-17776.50000113.2D170D170-S172 VanDerWaalsContact CG-OG 3.27Å; D170-S172 PolarHBondContact O-N 2.77Å; D170-S172 VanDerWaalsContact O-N 3.17Å; D170-S172 VanDerWaalsContact OD1-CB 3.32Å; D170-S172 WeakPolarHBondContact OD1-CB 3.49Å; D170-S172 PolarHBondContact OD1-N 3.35Å; D170-S172 PolarHBondContact OD1-OG 3.03Å; D170-S172 PolarHBondContact OD2-OG 3.49Å; D170-S172 VanDerWaalsContact OD2-OG 3.13Å
173T77.6Confident72.2Confident75 Ų7580.6 Ų80.646%0.4643%0.432SS..THydrogen-bonded Turntrans-103.3-6.2175.655.20000113.4D170 A175 N177D170-T173 WeakPolarHBondContact CB-OG1 3.15Å; D170-T173 PolarHBondContact O-N 2.89Å; D170-T173 WeakPolarHBondContact OD2-CB 3.3Å; D170-T173 VanDerWaalsContact OD2-CG2 3.28Å; D170-T173 WeakPolarHBondContact OD2-CG2 3.46Å; D170-T173 PolarHBondContact OD2-OG1 2.85Å; T173-A175 PolarHBondContact O-N 2.79Å; T173-N177 PolarHBondContact OG1-ND2 3.45Å
174Q80.5Confident70.1Confident49 Ų4984.5 Ų84.523%0.22945%0.45CS..THydrogen-bonded Turntrans56.637.8-179.1-65.8-78.5-66.700112.1Q133 D170 I171Q133-Q174 PolarHBondContact NE2-O 2.87Å; Q133-Q174 PolarHBondContact O-NE2 3.27Å; Q133-Q174 VanDerWaalsContact O-NE2 3.15Å; Q133-Q174 PolarHBondContact OE1-O 3.05Å; D170-Q174 PolarHBondContact O-N 2.83Å; I171-Q174 PolarHBondContact O-NE2 2.9Å
175A82.4Confident68Low36 Ų3685.6 Ų85.630%0.29845%0.451SS..EExtended strand (participates in β ladder)trans-147.7155.3-171.800000112.8D170 T173 N177D170-A175 PolarHBondContact N-O 3.32Å; D170-A175 PolarHBondContact O-N 3.08Å; T173-A175 PolarHBondContact O-N 2.79Å; A175-N177 PolarHBondContact O-N 3.17Å
176C84.1Confident66.3Low37 Ų3781.8 Ų81.825%0.2544%0.444CS..EExtended strand (participates in β ladder)trans-83.799.2170.4-66.10000110.6F143 C163 H167 I168F143-C176 WeakPolarHBondContact CE1-SG 3.42Å; C163-C176 WeakPolarHBondContact CA-SG 3.45Å; C163-C176 HydrophobicContact CB-CB 3.7Å; C163-C176 WeakPolarHBondContact CB-SG 3.48Å; C163-C176 WeakPolarHBondContact SG-CB 3.46Å; C163-C176 CovalentContact SG-SG 2.04Å; C163-C176 PolarHBondContact SG-SG 2.99Å; H167-C176 HydrophobicContact CB-CB 4Å; H167-C176 PolarHBondContact ND1-O 3Å; I168-C176 CarbonylContact O-C 3.59Å; I168-C176 WeakPolarHBondContact O-CA 3.24Å
177N81.8Confident64.8Low68 Ų6882.5 Ų82.536%0.36444%0.44SS..EExtended strand (participates in β ladder)trans-97.2155179.7-65.4-33.6000111.5H167 I168 D170 T173 A175H167-N177 CarbonylContact C-O 3.5Å; H167-N177 VanDerWaalsContact CA-O 3.22Å; H167-N177 WeakPolarHBondContact CA-O 3.48Å; I168-N177 PolarHBondContact N-O 2.88Å; I168-N177 PolarHBondContact O-N 2.02Å; D170-N177 PolarHBondContact OD2-ND2 3.41Å; T173-N177 PolarHBondContact OG1-ND2 3.45Å; A175-N177 PolarHBondContact O-N 3.17Å
178I76.7Confident62.9Low109 Ų10985.7 Ų85.756%0.55946%0.458SS*.EExtended strand (participates in β ladder)trans-67.9141.7170.9-59.1173.4000108.8E180I178-E180 VanDerWaalsContact C-N 3.35Å; I178-E180 PolarHBondContact O-N 3.35Å
179D63.4Low60.7Low40 Ų4089.8 Ų89.821%0.21448%0.476CS..  trans-68.186.1173.5-176.215000112I168 T181 Q182I168-D179 HydrophobicContact CD1-CB 3.62Å; I168-D179 HydrophobicContact CG1-CB 4.32Å; D179-T181 PolarHBondContact O-N 2.87Å; D179-T181 WeakPolarHBondContact OD1-CA 3.29Å; D179-T181 VanDerWaalsContact OD1-CB 3.32Å; D179-T181 WeakPolarHBondContact OD1-CB 3.18Å; D179-T181 PolarHBondContact OD1-N 3.41Å; D179-T181 PolarHBondContact OD1-OG1 2.84Å; D179-Q182 PolarHBondContact OD2-NE2 3.19Å; D179-Q182 VanDerWaalsContact OD2-NE2 3.09Å
180E56.2Low58.7Low177 Ų17795.2 Ų95.283%0.82751%0.505SS*.THydrogen-bonded Turntrans-69.4-3.8172.6-64.5-163.2149.900113.2I178 Q182I178-E180 VanDerWaalsContact C-N 3.35Å; I178-E180 PolarHBondContact O-N 3.35Å; E180-Q182 VanDerWaalsContact C-N 3.3Å; E180-Q182 PolarHBondContact O-N 3.49Å
181T54Low56.8Low103 Ų103103.1 Ų103.163%0.63253%0.531SS*.THydrogen-bonded Turntrans-81.6-6-177.877.50000114.3D179D179-T181 PolarHBondContact O-N 2.87Å; D179-T181 WeakPolarHBondContact OD1-CA 3.29Å; D179-T181 VanDerWaalsContact OD1-CB 3.32Å; D179-T181 WeakPolarHBondContact OD1-CB 3.18Å; D179-T181 PolarHBondContact OD1-N 3.41Å; D179-T181 PolarHBondContact OD1-OG1 2.84Å
182Q36.5Very low55Low153 Ų153109.6 Ų109.672%0.71556%0.561SS**THydrogen-bonded Turntrans-104.991.6161.8-67.617865.200109.3D179 E180D179-Q182 PolarHBondContact OD2-NE2 3.19Å; D179-Q182 VanDerWaalsContact OD2-NE2 3.09Å; E180-Q182 VanDerWaalsContact C-N 3.3Å; E180-Q182 PolarHBondContact O-N 3.49Å
183P38.9Very low53.2Low119 Ų119109.1 Ų109.177%0.77356%0.562SS**THydrogen-bonded Turn-155.891.85238.9-14.4000116.4
184E39.4Very low51.1Low91 Ų91115 Ų11543%0.42558%0.578SS.*  trans-138.320160.7-127-158.2-159.600116.3S186 R187E184-S186 PolarHBondContact O-N 2.87Å; E184-R187 VanDerWaalsContact CD-CD 3.44Å; E184-R187 HydrophobicContact CG-CB 3.98Å; E184-R187 PolarHBondContact O-N 2.97Å; E184-R187 WeakPolarHBondContact OE1-CD 3.18Å; E184-R187 IonicContact OE1-CZ 3.05Å; E184-R187 IonicContact OE1-NE 2.94Å; E184-R187 IonicContact OE1-NH1 2.79Å; E184-R187 PolarHBondContact OE1-NH1 3.05Å
185Q39.8Very low48.8Very low142 Ų142120.1 Ų120.166%0.66461%0.606SS**Hα-helixtrans-56-25.7175-76.1-170.4-8.800114.2R187 Q189Q185-R187 VanDerWaalsContact C-N 3.27Å; Q185-R187 PolarHBondContact O-N 3.28Å; Q185-Q189 WeakPolarHBondContact O-CG 3.42Å
186S35.4Very low46.4Very low95 Ų95123.6 Ų123.666%0.66463%0.625SS**Hα-helixtrans-69.9-17.6177.654.30000114.4E184E184-S186 PolarHBondContact O-N 2.87Å
187R39.1Very low43.8Very low172 Ų172133.5 Ų133.565%0.64966%0.659SS**Hα-helixtrans-106.3-28.6-173.1-148.5176.7-172.4177.70.6114E184 Q185E184-R187 VanDerWaalsContact CD-CD 3.44Å; E184-R187 HydrophobicContact CG-CB 3.98Å; E184-R187 PolarHBondContact O-N 2.97Å; E184-R187 WeakPolarHBondContact OE1-CD 3.18Å; E184-R187 IonicContact OE1-CZ 3.05Å; E184-R187 IonicContact OE1-NE 2.94Å; E184-R187 IonicContact OE1-NH1 2.79Å; E184-R187 PolarHBondContact OE1-NH1 3.05Å; Q185-R187 VanDerWaalsContact C-N 3.27Å; Q185-R187 PolarHBondContact O-N 3.28Å
188L41.9Very low41.3Very low113 Ų113134.9 Ų134.959%0.59268%0.68SS**Hα-helixtrans-76.7-36.8175.2-84.4153.9000112.8L190 R191 Q192L188-L190 VanDerWaalsContact C-N 3.28Å; L188-L190 PolarHBondContact O-N 2.8Å; L188-R191 PolarHBondContact O-N 3.42Å; L188-R191 VanDerWaalsContact O-N 3.11Å; L188-Q192 PolarHBondContact O-N 3.02Å
189Q36.1Very low39Very low132 Ų132134.9 Ų134.962%0.61770%0.696SS**Hα-helixtrans-64.2-30.9179-68.8-178.914.700113Q185 R191Q185-Q189 WeakPolarHBondContact O-CG 3.42Å; Q189-R191 VanDerWaalsContact C-N 3.31Å; Q189-R191 PolarHBondContact O-N 2.86Å
190L38.9Very low37.5Very low127 Ų127137.4 Ų137.467%0.66572%0.722SS**Hα-helixtrans-73.5-16.9175.9-99.6152000114.2L188L188-L190 VanDerWaalsContact C-N 3.28Å; L188-L190 PolarHBondContact O-N 2.8Å
191R39.2Very low36.4Very low213 Ų213134.5 Ų134.580%0.80472%0.719SS**Hα-helixtrans-93.1-25.7178.7-110.4-178.8172.6-177.4-2.8114.1L188 Q189L188-R191 PolarHBondContact O-N 3.42Å; L188-R191 VanDerWaalsContact O-N 3.11Å; Q189-R191 VanDerWaalsContact C-N 3.31Å; Q189-R191 PolarHBondContact O-N 2.86Å
192Q38.9Very low35.1Very low161 Ų161134.4 Ų134.475%0.75273%0.728SS**Hα-helixtrans-80.6-19175.4-71.1-177.1-14.500113.2L188 Y194L188-Q192 PolarHBondContact O-N 3.02Å; Q192-Y194 VanDerWaalsContact C-N 3.26Å; Q192-Y194 PolarHBondContact O-N 3.12Å
193A35.6Very low35Very low79 Ų79138 Ų13865%0.65374%0.737SS**THydrogen-bonded Turntrans-78.55179.500000115.4
194Y34.3Very low34.3Very low200 Ų200135.3 Ų135.378%0.78473%0.731SS**THydrogen-bonded Turntrans-130.717.7-167-106.7-79.2000116.1Q192Q192-Y194 VanDerWaalsContact C-N 3.26Å; Q192-Y194 PolarHBondContact O-N 3.12Å
195L32.3Very low34Very low156 Ų156142.6 Ų142.682%0.81776%0.757SS**  trans-89.4116.3171-83.7162000110.5
196P31Very low33.3Very low109 Ų109139.4 Ų139.471%0.70876%0.755SS**  trans-78155.1-173.232.2-35.7000112.5A198P196-A198 PolarHBondContact O-N 3.24Å; P196-A198 VanDerWaalsContact O-N 3.09Å
197Y29.9Very low32.9Very low244 Ų244143.1 Ų143.196%0.95776%0.762SS**  trans-48.5112.2170.1-83.3-109.6000111.8
198A30.8Very low32.4Very low98 Ų98140 Ų14081%0.8176%0.764SS**  trans-125.794168.200000109P196P196-A198 PolarHBondContact O-N 3.24Å; P196-A198 VanDerWaalsContact O-N 3.09Å
199A28.2Very low31.8Very low108 Ų108142.8 Ų142.889%0.89378%0.775SS**  trans-80.7132174.400000110.7
200A30.4Very low31.4Very low93 Ų93140.5 Ų140.577%0.76977%0.772SS**  trans-153.9152.5173.800000108.3
201P33.2Very low30.8Very low117 Ų117138.8 Ų138.876%0.7678%0.777SS**  -115.8165.8-104.228.8-14.3000115Y203P201-Y203 PolarHBondContact O-N 2.82Å
202A28.1Very low30.3Very low100 Ų100138.4 Ų138.483%0.82678%0.776SS**  trans-72.7111.7-177.600000113.4
203Y33.2Very low29.5Very low228 Ų228137.7 Ų137.789%0.89478%0.778SS**  trans-138.4131.7147.2-73.1-91.5000106P201P201-Y203 PolarHBondContact O-N 2.82Å
204G25.5Very low29.2Very low64 Ų64142.2 Ų142.266%0.6678%0.779SS**  cis138.824.211.300000113.4
205Y31.8Very low28.7Very low244 Ų244135.9 Ų135.996%0.95778%0.775SS**  trans-143.4142.3168.6-96.6-78.9000111.5
206A25.8Very low28.7Very low75 Ų75133.1 Ų133.162%0.6276%0.764SS**  trans-83.9147.1-171.900000113.4
207Q27.5Very low28.4Very low173 Ų173132.5 Ų132.581%0.80876%0.76SS**  -149.5145.1110.7-80.5-44.9-67.200109.5M209Q207-M209 PolarHBondContact O-N 3.42Å
208P28.8Very low28.4Very low107 Ų107129.9 Ų129.970%0.69575%0.75SS**PPolyproline II helixtrans-73.8120.2170.330.9-30.8000109.3
209M27.9Very low28.1Very low170 Ų170128.8 Ų128.884%0.83774%0.741SS**PPolyproline II helixtrans-59.8130.7161.7-83.8-76.9-169.500108Q207 A211Q207-M209 PolarHBondContact O-N 3.42Å; M209-A211 PolarHBondContact O-N 2.99Å; M209-A211 VanDerWaalsContact O-N 3.15Å
210P27.5Very low28.1Very low84 Ų84127.4 Ų127.455%0.54573%0.729SS.*PPolyproline II helixtrans-64.4119.6173.626.8-32.3000108.5Y212P210-Y212 HydrophobicContact CG-CD2 4.43Å; P210-Y212 HydrophobicContact CG-CE2 3.92Å; P210-Y212 PolarHBondContact O-N 3.28Å; P210-Y212 VanDerWaalsContact O-N 3.14Å
211A27Very low28Very low92 Ų92127.1 Ų127.176%0.7672%0.72SS**  trans-62113.1155.600000106.2M209 D213M209-A211 PolarHBondContact O-N 2.99Å; M209-A211 VanDerWaalsContact O-N 3.15Å; A211-D213 PolarHBondContact O-N 3.06Å
212Y27.9Very low27.6Very low204 Ų204126.7 Ų126.780%0.872%0.72SS**  trans-71.783169.6-81.5-90.2000108P210 Y214P210-Y212 HydrophobicContact CG-CD2 4.43Å; P210-Y212 HydrophobicContact CG-CE2 3.92Å; P210-Y212 PolarHBondContact O-N 3.28Å; P210-Y212 VanDerWaalsContact O-N 3.14Å; Y212-Y214 PolarHBondContact O-N 3.24Å
213D23.5Very low27.6Very low146 Ų146127.1 Ų127.178%0.78171%0.712SS**  trans-74.278.7174.7-165.87.5000109.1A211A211-D213 PolarHBondContact O-N 3.06Å
214Y28.7Very low27.3Very low175 Ų175119.3 Ų119.369%0.68669%0.689SS**  trans-110.568.4164.7-92.2-79.9000109.3Y212 V216Y212-Y214 PolarHBondContact O-N 3.24Å; Y214-V216 HydrophobicContact CD1-CG2 4.25Å; Y214-V216 PolarHBondContact O-N 2.82Å
215G24.5Very low27.3Very low67 Ų67124.3 Ų124.369%0.69170%0.697SS**  trans-66.693.9159.200000110.4
216V30.8Very low27.1Very low97 Ų97120.3 Ų120.359%0.58868%0.681SS**  trans-117.698.1164.9-173.20000108.4Y214Y214-V216 HydrophobicContact CD1-CG2 4.25Å; Y214-V216 PolarHBondContact O-N 2.82Å
217P25.2Very low27.1Very low97 Ų97121 Ų12163%0.6369%0.687SS**  trans-69.6137159.331.9-30.8000107.5
218Y29.7Very low27.1Very low188 Ų188121.2 Ų121.274%0.73768%0.682SS**  trans169.7106.1139.4-94.4-62.8000112.5A220Y218-A220 PolarHBondContact O-N 3.27Å
219A25.5Very low27Very low75 Ų75122.1 Ų122.162%0.6269%0.688SS**  trans39.275.7137.300000118
220A27.6Very low27Very low79 Ų79123.6 Ų123.665%0.65368%0.684SS**  trans-64.5149.4130.900000108.4Y218 S222Y218-A220 PolarHBondContact O-N 3.27Å; A220-S222 PolarHBondContact O-N 3.05Å
221P27.9Very low26.9Very low87 Ų87125.9 Ų125.957%0.56570%0.699SS**  trans-56.6136.816328.5-33.8000107.6I33 V223I33-P221 HydrophobicContact CD1-CB 3.9Å; I33-P221 HydrophobicContact CD1-CG 3.9Å; I33-P221 HydrophobicContact CG1-CB 4.33Å; P221-V223 PolarHBondContact O-N 3.32Å
222S25Very low27Very low109 Ų109128.1 Ų128.176%0.76270%0.696SS**  trans-67.293.7-174.351.30000110.8A220 P224A220-S222 PolarHBondContact O-N 3.05Å; S222-P224 WeakPolarHBondContact O-CD 3.45Å
223V28.6Very low26.9Very low109 Ų109122.7 Ų122.766%0.66169%0.694SS**  trans-52.5118.1138.8-100.80000105.4P221 M225P221-V223 PolarHBondContact O-N 3.32Å; V223-M225 VanDerWaalsContact C-N 3.34Å; V223-M225 PolarHBondContact O-N 2.82Å
224P26.6Very low27.1Very low64 Ų64126 Ų12642%0.41670%0.697SS.*  trans-71.596.1-171.828.7-34000108.4S222 Y226S222-P224 WeakPolarHBondContact O-CD 3.45Å; P224-Y226 HydrophobicContact CB-CD2 3.72Å; P224-Y226 HydrophobicContact CB-CE2 3.62Å; P224-Y226 HydrophobicContact CG-CD2 4.21Å; P224-Y226 HydrophobicContact CG-CE2 4.15Å; P224-Y226 PolarHBondContact O-N 3.06Å
225M26.4Very low27.1Very low169 Ų169121.5 Ų121.583%0.83370%0.696SS**  trans-65.174.2166.5-77.8-81.1173.800108.7V223 A227V223-M225 VanDerWaalsContact C-N 3.34Å; V223-M225 PolarHBondContact O-N 2.82Å; M225-A227 PolarHBondContact O-N 2.03Å
226Y26.9Very low27.3Very low159 Ų159123.3 Ų123.362%0.62470%0.696SS**  trans-70.570.1166.4-79.7-66.8000108.6P224 Y228P224-Y226 HydrophobicContact CB-CD2 3.72Å; P224-Y226 HydrophobicContact CB-CE2 3.62Å; P224-Y226 HydrophobicContact CG-CD2 4.21Å; P224-Y226 HydrophobicContact CG-CE2 4.15Å; P224-Y226 PolarHBondContact O-N 3.06Å; Y226-Y228 PolarHBondContact O-N 2.95Å
227A26.4Very low27.4Very low89 Ų89125.2 Ų125.274%0.73671%0.707SS**  trans-65.576.7167.500000109M225 P229M225-A227 PolarHBondContact O-N 2.03Å; A227-P229 WeakPolarHBondContact O-CD 3.46Å
228Y26.2Very low27.5Very low178 Ų178128.3 Ų128.370%0.69871%0.713SS**  trans-56.7126.7167.3-98.4-86000108Y226 R230Y226-Y228 PolarHBondContact O-N 2.95Å; Y228-R230 PolarHBondContact O-N 3.45Å
229P26.4Very low27.4Very low127 Ų127130 Ų13083%0.82572%0.718SS**  trans-76.266.7177.432.9-35.8000109.6A227A227-P229 WeakPolarHBondContact O-CD 3.46Å
230R28.7Very low27.6Very low201 Ų201131.8 Ų131.876%0.75872%0.721SS**  trans-84.6136.1160.6-66.8-171.3-179.5-123.80.8106.9Y228 I232Y228-R230 PolarHBondContact O-N 3.45Å; R230-I232 PolarHBondContact O-N 3.48Å
231P26.6Very low27.6Very low132 Ų132136 Ų13686%0.85773%0.728SS**  trans-70.284.6175.129.9-33.7000108.5A233P231-A233 PolarHBondContact O-N 3.48Å
232I28.4Very low27.6Very low138 Ų138138.4 Ų138.471%0.70874%0.74SS**  trans-59.4109.2160.4-60.9175.3000104.3R230 Y234R230-I232 PolarHBondContact O-N 3.48Å; I232-Y234 VanDerWaalsContact C-N 3.31Å; I232-Y234 PolarHBondContact O-N 2.95Å
233A25.9Very low27.7Very low91 Ų91138.3 Ų138.375%0.75274%0.735SS**  trans-60104.4167.800000105.8P231 A235P231-A233 PolarHBondContact O-N 3.48Å; A233-A235 PolarHBondContact O-N 3.29Å
234Y27.9Very low27.6Very low215 Ų215138.9 Ų138.984%0.84374%0.741SS**  trans-56.296165-71.6-91.8000106I232 P236I232-Y234 VanDerWaalsContact C-N 3.31Å; I232-Y234 PolarHBondContact O-N 2.95Å; Y234-P236 WeakPolarHBondContact O-CD 3.5Å
235A28.2Very low27.8Very low81 Ų81141.7 Ų141.767%0.66976%0.756SS**  trans-53.8112.515400000103.7A233 V237A233-A235 PolarHBondContact O-N 3.29Å; A235-V237 PolarHBondContact O-N 3.14Å
236P28.5Very low27.8Very low105 Ų105142 Ų14268%0.68276%0.758SS**  trans-58.5122.5179.624.2-31.7000105.3Y234 Q238Y234-P236 WeakPolarHBondContact O-CD 3.5Å; P236-Q238 PolarHBondContact O-N 2.79Å
237V32.5Very low27.8Very low136 Ų136139.8 Ų139.882%0.82476%0.763SS**  trans-6092.3171-179.60000105.1A235 R239A235-V237 PolarHBondContact O-N 3.14Å; V237-R239 VanDerWaalsContact C-N 3.31Å; V237-R239 PolarHBondContact O-N 3.34Å
238Q27.7Very low27.8Very low162 Ų162140.2 Ų140.276%0.75777%0.766SS**  trans-63107.1172.7-78.9-159.5-16.300103.8P236 V240P236-Q238 PolarHBondContact O-N 2.79Å; Q238-V240 PolarHBondContact O-N 2.97Å
239R28.4Very low27.7Very low224 Ų224136 Ų13685%0.84577%0.769SS**  trans-58.590.7160.7-69.5-175175.9-147.2-0.8105.2V237 Q241V237-R239 VanDerWaalsContact C-N 3.31Å; V237-R239 PolarHBondContact O-N 3.34Å; R239-Q241 VanDerWaalsContact C-N 3.35Å; R239-Q241 PolarHBondContact O-N 3.19Å
240V29Very low27.8Very low112 Ų112136.8 Ų136.868%0.67977%0.771SS**  trans-57.4106.7174.71760000104.5Q238 V242Q238-V240 PolarHBondContact O-N 2.97Å; V240-V242 PolarHBondContact O-N 2.74Å
241Q27.2Very low27.7Very low168 Ų168135 Ų13579%0.78578%0.782SS**  trans-61.3128.6174.2-69.3-162.3-20.100106.4R239 V243R239-Q241 VanDerWaalsContact C-N 3.35Å; R239-Q241 PolarHBondContact O-N 3.19Å; Q241-V243 VanDerWaalsContact C-N 3.3Å; Q241-V243 PolarHBondContact O-N 2.7Å
242V27.2Very low27.7Very low137 Ų137131.4 Ų131.483%0.8377%0.769SS**  trans-67.492.8-178.1-177.40000107.8V240V240-V242 PolarHBondContact O-N 2.74Å
243V27.1Very low27.6Very low108 Ų108134.5 Ų134.566%0.65578%0.778SS**  trans-94.1117.1171.8-172.40000107.4Q241 V245Q241-V243 VanDerWaalsContact C-N 3.3Å; Q241-V243 PolarHBondContact O-N 2.7Å; V243-V245 HydrophobicContact CG1-CG2 3.9Å; V243-V245 PolarHBondContact O-N 3Å
244P27.9Very low27.8Very low121 Ų121136 Ų13679%0.78678%0.78SS**  trans-78.1106.9-177.530.8-33.3000110
245V30.7Very low28.1Very low122 Ų122130.9 Ų130.974%0.73977%0.765SS**  trans-130.288.3176.2-168.10000111.4V243V243-V245 HydrophobicContact CG1-CG2 3.9Å; V243-V245 PolarHBondContact O-N 3Å
246M26.2Very low28.5Very low177 Ų177131.2 Ų131.287%0.87276%0.756SS**  trans47.7152132.3-69.6-123.9-80.500122
247P26.9Very low28.9Very low111 Ų111130.6 Ų130.672%0.72175%0.752SS**  trans-96.2159.7-151.637.7-37.1000115.4
248A26Very low29.3Very low98 Ų98130.2 Ų130.281%0.8174%0.739SS**  trans50.7118.8145.500000119.2
249A24.8Very low30.2Very low91 Ų91123.4 Ų123.475%0.75271%0.707SS**  161.498.898.900000112.2
250T27.8Very low30.8Very low142 Ų142116.9 Ų116.987%0.87170%0.696SS**SBendtrans-174.7131.5143.822.10000108.9G252T250-G252 PolarHBondContact O-N 3.24Å
251V27.4Very low31.9Very low164 Ų164114.1 Ų114.199%0.99469%0.69SS**SBendtrans-47.7100.5-174-168.20000113
252G26.3Very low33.5Very low56 Ų56107.2 Ų107.258%0.57766%0.658SS**SBendtrans172.1121.3179.300000108.9T250 P254T250-G252 PolarHBondContact O-N 3.24Å; G252-P254 VanDerWaalsContact O-CD 3.28Å; G252-P254 WeakPolarHBondContact O-CD 3.26Å
253F26.7Very low35.6Very low204 Ų204101.1 Ų101.190%0.89562%0.622SS**  trans-62.6117.6-170.7-72.6-94000111.4M255F253-M255 PolarHBondContact O-N 2.96Å
254P30.2Very low37.7Very low123 Ų12396.5 Ų96.580%0.79959%0.594SS**  trans-74.5100.4171.930.2-31000108.4G252 N256G252-P254 VanDerWaalsContact O-CD 3.28Å; G252-P254 WeakPolarHBondContact O-CD 3.26Å; P254-N256 PolarHBondContact O-N 3.45Å; P254-N256 VanDerWaalsContact O-N 3.12Å
255M33.4Very low39.8Very low106 Ų10693.6 Ų93.652%0.52257%0.57SS.*  trans-53.3117.1173.5-76.4-78.3-89.100109.7F253F253-M255 PolarHBondContact O-N 2.96Å
256N37Very low41.6Very low89 Ų8990.1 Ų90.148%0.47655%0.547SS..  trans-67.7122.4179.5-165.610000108.3P254 F258 F259P254-N256 PolarHBondContact O-N 3.45Å; P254-N256 VanDerWaalsContact O-N 3.12Å; N256-F258 PolarHBondContact O-N 2.83Å; N256-F258 WeakPolarHBondContact OD1-CD2 3.48Å; N256-F259 HydrophobicContact CB-CD2 4.28Å; N256-F259 PolarHBondContact O-N 3.43Å
257P36.9Very low43.9Very low92 Ų9281.7 Ų81.760%0.59751%0.505SS*.G310 helixtrans-63.5-5-168.922.9-35.5000115.4F259 S260P257-F259 PolarHBondContact O-N 3.21Å; P257-S260 PolarHBondContact O-OG 3.2Å
258F40.1Very low46.1Very low127 Ų12778.8 Ų78.856%0.55748%0.481SS*.G310 helixtrans-63.6-25.3168.3-69-89.6000113.3N256 F262N256-F258 PolarHBondContact O-N 2.83Å; N256-F258 WeakPolarHBondContact OD1-CD2 3.48Å; F258-F262 WeakPolarHBondContact O-CE2 3.22Å
259F46.3Very low48.1Very low19 Ų1978.8 Ų78.88%0.08347%0.465CS..G310 helixtrans-89.1-11.1-171-74.8-81.2000116.2V101 L104 F132 I171 N256 P257 G261 F262V101-F259 HydrophobicContact CG1-CZ 4.23Å; L104-F259 HydrophobicContact CD2-CE1 4.01Å; L104-F259 HydrophobicContact CD2-CE2 3.85Å; L104-F259 HydrophobicContact CD2-CZ 3.36Å; L104-F259 HydrophobicContact CG-CE1 4.42Å; L104-F259 HydrophobicContact CG-CZ 4.09Å; F132-F259 AromaticContact CE1-CD1 3.76Å; F132-F259 HydrophobicContact CE1-CD1 3.76Å; F132-F259 HydrophobicContact CE1-CE1 4.26Å; F132-F259 AromaticContact CZ-CD1 3.73Å; F132-F259 HydrophobicContact CZ-CD1 3.73Å; F132-F259 HydrophobicContact CZ-CE1 4.43Å; I171-F259 WeakPolarHBondContact CD1-O 2.98Å; N256-F259 HydrophobicContact CB-CD2 4.28Å; N256-F259 PolarHBondContact O-N 3.43Å; P257-F259 PolarHBondContact O-N 3.21Å; F259-G261 PolarHBondContact O-N 3.13Å; F259-F262 AromaticContact CD1-CD2 3.67Å; F259-F262 HydrophobicContact CD1-CD2 3.67Å; F259-F262 HydrophobicContact CD1-CE2 4.08Å; F259-F262 HydrophobicContact CE1-CD2 4.02Å; F259-F262 HydrophobicContact CE1-CE2 4.1Å; F259-F262 HydrophobicContact CG-CD2 4.38Å; F259-F262 PolarHBondContact O-N 3.25Å
260S42.5Very low50.4Low87 Ų8774.5 Ų74.561%0.60843%0.429SS*.G310 helixtrans-70.92.2-175.957.30000115.5P257P257-S260 PolarHBondContact O-OG 3.2Å
261G51.2Low52.6Low55 Ų5568 Ų6857%0.56739%0.388SS*.G310 helixtrans-1317.9-178.100000115.7F259 G263 N266F259-G261 PolarHBondContact O-N 3.13Å; G261-G263 PolarHBondContact O-N 2.01Å; G261-N266 PolarHBondContact O-ND2 3.16Å
262F61.7Low54.6Low23 Ų2362.3 Ų62.310%0.10135%0.352CS..  trans-8898.4173.8-67.6-64.2000110.4M96 V134 F258 F259 N266M96-F262 HydrophobicContact CG-CE1 4.06Å; M96-F262 HydrophobicContact SD-CE1 4.36Å; V134-F262 WeakPolarHBondContact CG1-O 3.13Å; F258-F262 WeakPolarHBondContact O-CE2 3.22Å; F259-F262 AromaticContact CD1-CD2 3.67Å; F259-F262 HydrophobicContact CD1-CD2 3.67Å; F259-F262 HydrophobicContact CD1-CE2 4.08Å; F259-F262 HydrophobicContact CE1-CD2 4.02Å; F259-F262 HydrophobicContact CE1-CE2 4.1Å; F259-F262 HydrophobicContact CG-CD2 4.38Å; F259-F262 PolarHBondContact O-N 3.25Å; F262-N266 HydrophobicContact CD1-CB 3.9Å
263G71Confident56.6Low8 Ų860.3 Ų60.38%0.08233%0.329CS..  trans-80.7166.7161.600000111.8P135 G261 Q265 N266 L267P135-G263 WeakPolarHBondContact O-CA 3.31Å; G261-G263 PolarHBondContact O-N 2.01Å; G263-Q265 PolarHBondContact O-N 3.03Å; G263-Q265 VanDerWaalsContact O-N 3.12Å; G263-N266 WeakPolarHBondContact O-CB 3.04Å; G263-N266 PolarHBondContact O-N 3.02Å; G263-L267 PolarHBondContact O-N 3.13Å
264M71.9Confident58.7Low11 Ų1150.9 Ų50.95%0.05429%0.288CS..Hα-helixtrans-58.3-28.7-178.1-84.9-57.5-77.800113.6L124 V134 P135 Y144 W158 N266 L267 F268L124-M264 HydrophobicContact CD2-CE 4.09Å; V134-M264 HydrophobicContact CB-CG 3.96Å; V134-M264 HydrophobicContact CB-SD 3.89Å; V134-M264 HydrophobicContact CG1-CB 4.31Å; V134-M264 HydrophobicContact CG1-CG 3.67Å; V134-M264 VanDerWaalsContact CG1-N 3.33Å; V134-M264 HydrophobicContact CG1-SD 3.81Å; V134-M264 HydrophobicContact CG2-SD 4.11Å; P135-M264 PolarHBondContact O-N 2.01Å; P135-M264 VanDerWaalsContact O-N 3.1Å; Y144-M264 HydrophobicContact CD1-CE 4.11Å; Y144-M264 HydrophobicContact CD1-CG 3.95Å; Y144-M264 HydrophobicContact CD2-CB 3.98Å; Y144-M264 HydrophobicContact CD2-CG 3.2Å; Y144-M264 HydrophobicContact CE1-CG 4.32Å; Y144-M264 HydrophobicContact CE2-CB 3.92Å; Y144-M264 HydrophobicContact CE2-CG 3.64Å; Y144-M264 HydrophobicContact CG-CB 4.46Å; Y144-M264 HydrophobicContact CG-CE 4.31Å; Y144-M264 HydrophobicContact CG-CG 3.36Å; Y144-M264 HydrophobicContact CG-SD 4.2Å; W158-M264 HydrophobicContact CB-CE 3.92Å; W158-M264 HydrophobicContact CD2-CE 3.94Å; W158-M264 HydrophobicContact CD2-SD 4.07Å; W158-M264 HydrophobicContact CE3-SD 4.31Å; W158-M264 HydrophobicContact CG-CE 3.65Å; W158-M264 HydrophobicContact CG-SD 4.42Å; M264-N266 PolarHBondContact O-N 3.07Å; M264-L267 PolarHBondContact O-N 3.34Å; M264-L267 HydrophobicContact SD-CB 4.39Å; M264-L267 HydrophobicContact SD-CD1 3.69Å; M264-F268 VanDerWaalsContact O-CB 3.31Å; M264-F268 WeakPolarHBondContact O-CB 3.28Å; M264-F268 PolarHBondContact O-N 3.37Å
265Q70.9Confident60.5Low61 Ų6145.8 Ų45.829%0.28525%0.253SS..Hα-helixtrans-56.7-38.1174.2-68.475.94.700111.8D136 G137 G263 Q269D136-Q265 PolarHBondContact OD1-NE2 2.92Å; G137-Q265 VanDerWaalsContact CA-OE1 3.29Å; G263-Q265 PolarHBondContact O-N 3.03Å; G263-Q265 VanDerWaalsContact O-N 3.12Å; Q265-Q269 VanDerWaalsContact O-CB 3.3Å; Q265-Q269 WeakPolarHBondContact O-CB 3.26Å; Q265-Q269 PolarHBondContact O-N 3.27Å
266N69.2Low62Low49 Ų4941 Ų4126%0.26223%0.23SC..Hα-helixtrans-75-37.3178.4-65.4-21.1000111.7M96 G261 F262 G263 M264 Q269 Y270M96-N266 HydrophobicContact SD-CB 4.31Å; G261-N266 PolarHBondContact O-ND2 3.16Å; F262-N266 HydrophobicContact CD1-CB 3.9Å; G263-N266 WeakPolarHBondContact O-CB 3.04Å; G263-N266 PolarHBondContact O-N 3.02Å; M264-N266 PolarHBondContact O-N 3.07Å; N266-Q269 PolarHBondContact O-N 3.35Å; N266-Y270 WeakPolarHBondContact O-CB 3.19Å; N266-Y270 PolarHBondContact O-N 2.92Å
267L74.3Confident63.3Low0 Ų039.6 Ų39.60%022%0.218CC..Hα-helixtrans-66.4-39.9172.5-73.6169000111.5M105 L108 T109 L124 V134 W158 G263 M264 Y270 Y271M105-L267 HydrophobicContact CE-CD2 3.69Å; M105-L267 HydrophobicContact SD-CD2 3.95Å; L108-L267 HydrophobicContact CB-CD2 3.97Å; T109-L267 HydrophobicContact CG2-CB 3.98Å; T109-L267 HydrophobicContact CG2-CD2 3.53Å; T109-L267 HydrophobicContact CG2-CG 4.35Å; T109-L267 WeakPolarHBondContact CG2-O 3.4Å; L124-L267 HydrophobicContact CD2-CB 4.3Å; V134-L267 HydrophobicContact CB-CD1 4.49Å; V134-L267 HydrophobicContact CG1-CD1 3.97Å; V134-L267 HydrophobicContact CG2-CD1 3.79Å; W158-L267 HydrophobicContact CZ2-CD1 4.22Å; G263-L267 PolarHBondContact O-N 3.13Å; M264-L267 PolarHBondContact O-N 3.34Å; M264-L267 HydrophobicContact SD-CB 4.39Å; M264-L267 HydrophobicContact SD-CD1 3.69Å; L267-Y270 PolarHBondContact O-N 2.97Å; L267-Y271 WeakPolarHBondContact O-CB 3.38Å; L267-Y271 PolarHBondContact O-N 3.1Å
268F71.8Confident64.7Low49 Ų4937.3 Ų37.322%0.21520%0.2CC..Hα-helixtrans-64.9-43.1174.1-170.2-101.1000111.5I72 L124 M264 Y271 M272I72-F268 HydrophobicContact CD1-CZ 4.24Å; L124-F268 HydrophobicContact CD1-CD2 3.65Å; L124-F268 HydrophobicContact CD1-CE2 4.14Å; L124-F268 HydrophobicContact CD2-CB 4.44Å; L124-F268 HydrophobicContact CD2-CD2 4.46Å; M264-F268 VanDerWaalsContact O-CB 3.31Å; M264-F268 WeakPolarHBondContact O-CB 3.28Å; M264-F268 PolarHBondContact O-N 3.37Å; F268-Y271 PolarHBondContact O-N 3.05Å; F268-M272 HydrophobicContact CD1-CE 3.47Å; F268-M272 VanDerWaalsContact CD1-CE 3.47Å; F268-M272 HydrophobicContact CD1-CG 4.3Å; F268-M272 HydrophobicContact CD1-SD 3.94Å; F268-M272 HydrophobicContact CE1-CE 3.57Å; F268-M272 HydrophobicContact CE1-CG 4.02Å; F268-M272 HydrophobicContact CE1-SD 3.42Å; F268-M272 WeakPolarHBondContact CE1-SD 3.29Å; F268-M272 HydrophobicContact CZ-CG 4.33Å; F268-M272 HydrophobicContact CZ-SD 4.11Å; F268-M272 WeakPolarHBondContact O-CB 3.45Å; F268-M272 WeakPolarHBondContact O-CG 3.17Å; F268-M272 PolarHBondContact O-N 3.21Å
269Q70Confident65.8Low99 Ų9932.2 Ų32.246%0.46318%0.177SC..Hα-helixtrans-62.5-41.8173.2-171.317810.300112.2Q265 N266 M272 S273Q265-Q269 VanDerWaalsContact O-CB 3.3Å; Q265-Q269 WeakPolarHBondContact O-CB 3.26Å; Q265-Q269 PolarHBondContact O-N 3.27Å; N266-Q269 PolarHBondContact O-N 3.35Å; Q269-M272 HydrophobicContact CB-CE 4.47Å; Q269-S273 WeakPolarHBondContact O-CB 3.45Å; Q269-S273 PolarHBondContact O-N 2.81Å; Q269-S273 PolarHBondContact O-OG 3.03Å
270Y73.1Confident66.3Low1 Ų135.4 Ų35.40%0.00420%0.2CC..Hα-helixtrans-60.7-52.7174.3-172.4-92.6000111M96 F97 K102 M105 D106 T109 F110 N266 L267 M272 S273 M274M96-Y270 WeakPolarHBondContact O-CE2 3.28Å; F97-Y270 HydrophobicContact CD1-CD2 4.05Å; F97-Y270 AromaticContact CD1-CE2 3.59Å; F97-Y270 HydrophobicContact CD1-CE2 3.59Å; F97-Y270 AromaticContact CE1-CD2 3.68Å; F97-Y270 HydrophobicContact CE1-CD2 3.68Å; F97-Y270 AromaticContact CE1-CE2 3.65Å; F97-Y270 HydrophobicContact CE1-CE2 3.65Å; F97-Y270 HydrophobicContact CZ-CD2 4.47Å; K102-Y270 WeakPolarHBondContact CG-OH 3.14Å; K102-Y270 PolarHBondContact NZ-OH 2.93Å; M105-Y270 HydrophobicContact CB-CD1 3.95Å; M105-Y270 HydrophobicContact CB-CD2 4.25Å; M105-Y270 HydrophobicContact CB-CE1 3.58Å; M105-Y270 HydrophobicContact CB-CE2 3.9Å; M105-Y270 HydrophobicContact CB-CG 4.27Å; M105-Y270 HydrophobicContact CE-CD1 4.18Å; M105-Y270 HydrophobicContact CE-CD2 3.78Å; M105-Y270 HydrophobicContact CE-CG 3.58Å; M105-Y270 HydrophobicContact CG-CE2 4.35Å; D106-Y270 PolarHBondContact OD1-OH 3.49Å; T109-Y270 HydrophobicContact CG2-CD1 4.01Å; F110-Y270 HydrophobicContact CE2-CD1 4.25Å; F110-Y270 HydrophobicContact CE2-CE1 4.06Å; N266-Y270 WeakPolarHBondContact O-CB 3.19Å; N266-Y270 PolarHBondContact O-N 2.92Å; L267-Y270 PolarHBondContact O-N 2.97Å; Y270-M272 PolarHBondContact O-N 3.26Å; Y270-S273 PolarHBondContact O-N 2.72Å; Y270-S273 VanDerWaalsContact O-N 3.17Å; Y270-S273 PolarHBondContact O-OG 3.2Å; Y270-M274 HydrophobicContact CD1-CG 4.14Å; Y270-M274 HydrophobicContact CD2-CG 4.45Å; Y270-M274 HydrophobicContact CE1-CB 4.31Å; Y270-M274 HydrophobicContact CE1-CG 3.69Å; Y270-M274 HydrophobicContact CE2-CG 4.05Å; Y270-M274 HydrophobicContact CG-CG 4.5Å; Y270-M274 WeakPolarHBondContact O-CB 3.4Å; Y270-M274 PolarHBondContact O-N 3.07Å
271Y74.1Confident66.7Low4 Ų433.8 Ų33.82%0.01620%0.197CC..Hα-helixtrans-51-55.4175.6177.9-81.6000110.8Q55 T109 F110 P121 G123 L124 L267 F268 S273 M274 F275Q55-Y271 VanDerWaalsContact CD-CE1 3.47Å; Q55-Y271 HydrophobicContact CG-CE1 4.32Å; Q55-Y271 VanDerWaalsContact NE2-CD1 3.26Å; T109-Y271 WeakPolarHBondContact O-CD2 3.48Å; F110-Y271 AromaticContact CD1-CD2 3.6Å; F110-Y271 HydrophobicContact CD1-CD2 3.6Å; F110-Y271 AromaticContact CD1-CE2 3.67Å; F110-Y271 HydrophobicContact CD1-CE2 3.67Å; F110-Y271 AromaticContact CE1-CD2 3.25Å; F110-Y271 HydrophobicContact CE1-CD2 3.25Å; F110-Y271 AromaticContact CE1-CE2 3.53Å; F110-Y271 HydrophobicContact CE1-CE2 3.53Å; F110-Y271 AromaticContact CE1-CG 3.85Å; F110-Y271 HydrophobicContact CE1-CG 3.85Å; F110-Y271 AromaticContact CZ-CD2 3.97Å; F110-Y271 HydrophobicContact CZ-CD2 3.97Å; F110-Y271 HydrophobicContact CZ-CG 4.23Å; F110-Y271 WeakPolarHBondContact CZ-O 3.17Å; P121-Y271 HydrophobicContact CG-CE2 4.47Å; P121-Y271 PolarHBondContact O-OH 2.88Å; G123-Y271 VanDerWaalsContact O-CE2 3.31Å; G123-Y271 WeakPolarHBondContact O-CE2 3.31Å; G123-Y271 PolarHBondContact O-OH 2.67Å; L124-Y271 HydrophobicContact CB-CD2 4.43Å; L124-Y271 HydrophobicContact CD1-CD1 3.79Å; L124-Y271 HydrophobicContact CD1-CD2 3.69Å; L124-Y271 HydrophobicContact CD1-CE1 4.26Å; L124-Y271 HydrophobicContact CD1-CE2 4.13Å; L124-Y271 HydrophobicContact CD1-CG 3.48Å; L124-Y271 VanDerWaalsContact CD1-CG 3.48Å; L124-Y271 HydrophobicContact CG-CD2 3.65Å; L124-Y271 HydrophobicContact CG-CE2 4.3Å; L124-Y271 HydrophobicContact CG-CG 3.79Å; L267-Y271 WeakPolarHBondContact O-CB 3.38Å; L267-Y271 PolarHBondContact O-N 3.1Å; F268-Y271 PolarHBondContact O-N 3.05Å; Y271-S273 VanDerWaalsContact C-N 3.33Å; Y271-S273 PolarHBondContact O-N 3.35Å; Y271-M274 PolarHBondContact O-N 2.86Å; Y271-F275 HydrophobicContact CD1-CB 4.28Å; Y271-F275 HydrophobicContact CE1-CB 4.06Å; Y271-F275 AromaticContact CE1-CD2 3.71Å; Y271-F275 HydrophobicContact CE1-CD2 3.71Å; Y271-F275 HydrophobicContact CE1-CE2 4.35Å; Y271-F275 HydrophobicContact CE1-CG 4.02Å; Y271-F275 HydrophobicContact CE2-CD2 4.02Å; Y271-F275 AromaticContact CZ-CD2 3.39Å; Y271-F275 AromaticContact CZ-CE2 3.83Å; Y271-F275 WeakPolarHBondContact O-CB 3.46Å; Y271-F275 PolarHBondContact O-N 3.03Å; Y271-F275 VanDerWaalsContact OH-CD2 3.24Å; Y271-F275 WeakPolarHBondContact OH-CD2 3.45Å; Y271-F275 WeakPolarHBondContact OH-CE2 3.46Å
272M69.1Low66.7Low45 Ų4535.8 Ų35.822%0.22219%0.188CC..Hα-helixtrans-54.8-49.8179.6-75.2-171.6-65.500111.1I72 W74 F268 Q269 Y270 M274 P276I72-M272 HydrophobicContact CD1-CG 4.09Å; I72-M272 HydrophobicContact CD1-SD 3.73Å; I72-M272 HydrophobicContact CG1-SD 4.17Å; I72-M272 HydrophobicContact CG2-SD 3.81Å; W74-M272 WeakPolarHBondContact CZ2-O 3.05Å; F268-M272 HydrophobicContact CD1-CE 3.47Å; F268-M272 VanDerWaalsContact CD1-CE 3.47Å; F268-M272 HydrophobicContact CD1-CG 4.3Å; F268-M272 HydrophobicContact CD1-SD 3.94Å; F268-M272 HydrophobicContact CE1-CE 3.57Å; F268-M272 HydrophobicContact CE1-CG 4.02Å; F268-M272 HydrophobicContact CE1-SD 3.42Å; F268-M272 WeakPolarHBondContact CE1-SD 3.29Å; F268-M272 HydrophobicContact CZ-CG 4.33Å; F268-M272 HydrophobicContact CZ-SD 4.11Å; F268-M272 WeakPolarHBondContact O-CB 3.45Å; F268-M272 WeakPolarHBondContact O-CG 3.17Å; F268-M272 PolarHBondContact O-N 3.21Å; Q269-M272 HydrophobicContact CB-CE 4.47Å; Y270-M272 PolarHBondContact O-N 3.26Å; M272-M274 VanDerWaalsContact C-N 3.3Å; M272-M274 PolarHBondContact O-N 2.83Å; M272-P276 VanDerWaalsContact O-CD 3.29Å; M272-P276 WeakPolarHBondContact O-CD 3.48Å
273S67.7Low65.8Low14 Ų1436.9 Ų36.910%0.09821%0.206CC..Hα-helixtrans-64.6-29.8-17772.90000114.3F97 Q269 Y270 Y271F97-S273 VanDerWaalsContact CE1-OG 3.28Å; F97-S273 WeakPolarHBondContact CE1-OG 3.05Å; F97-S273 VanDerWaalsContact CZ-OG 3.26Å; F97-S273 WeakPolarHBondContact CZ-OG 3.26Å; Q269-S273 WeakPolarHBondContact O-CB 3.45Å; Q269-S273 PolarHBondContact O-N 2.81Å; Q269-S273 PolarHBondContact O-OG 3.03Å; Y270-S273 PolarHBondContact O-N 2.72Å; Y270-S273 VanDerWaalsContact O-N 3.17Å; Y270-S273 PolarHBondContact O-OG 3.2Å; Y271-S273 VanDerWaalsContact C-N 3.33Å; Y271-S273 PolarHBondContact O-N 3.35Å
274M71Confident64.4Low6 Ų639.6 Ų39.63%0.0323%0.234CC..Hα-helixtrans-99-26.2-175.8-73.2-69.893.500114.1L92 F97 F110 Y270 Y271 M272 W277 M278L92-M274 HydrophobicContact CD1-CE 3.71Å; L92-M274 HydrophobicContact CD2-CE 3.22Å; L92-M274 HydrophobicContact CG-CE 4.11Å; F97-M274 HydrophobicContact CD1-CE 4.2Å; F97-M274 HydrophobicContact CD1-SD 4.44Å; F97-M274 HydrophobicContact CE1-CE 3.95Å; F97-M274 HydrophobicContact CE1-CG 4.18Å; F97-M274 HydrophobicContact CE1-SD 4.41Å; F110-M274 HydrophobicContact CE2-CB 3.54Å; F110-M274 HydrophobicContact CE2-CG 4.44Å; F110-M274 HydrophobicContact CZ-CB 3.56Å; Y270-M274 HydrophobicContact CD1-CG 4.14Å; Y270-M274 HydrophobicContact CD2-CG 4.45Å; Y270-M274 HydrophobicContact CE1-CB 4.31Å; Y270-M274 HydrophobicContact CE1-CG 3.69Å; Y270-M274 HydrophobicContact CE2-CG 4.05Å; Y270-M274 HydrophobicContact CG-CG 4.5Å; Y270-M274 WeakPolarHBondContact O-CB 3.4Å; Y270-M274 PolarHBondContact O-N 3.07Å; Y271-M274 PolarHBondContact O-N 2.86Å; M272-M274 VanDerWaalsContact C-N 3.3Å; M272-M274 PolarHBondContact O-N 2.83Å; M274-W277 CarbonylContact O-C 3.55Å; M274-W277 WeakPolarHBondContact O-CA 3.4Å; M274-W277 WeakPolarHBondContact O-CB 3.31Å; M274-W277 PolarHBondContact O-N 3.15Å; M274-M278 HydrophobicContact CB-CG 4.33Å; M274-M278 WeakPolarHBondContact O-CB 3.36Å; M274-M278 PolarHBondContact O-N 3.11Å
275F68.5Low63.1Low17 Ų1740.3 Ų40.38%0.07524%0.236CC..Hα-helixtrans-56-48.2-172.7178.5-88.4000113.4F110 V120 Y271 W277 M278 Y279 F285F110-F275 HydrophobicContact CE1-CB 3.96Å; F110-F275 HydrophobicContact CE1-CD2 4.07Å; F110-F275 HydrophobicContact CZ-CB 4.26Å; V120-F275 HydrophobicContact CG1-CD2 4.46Å; V120-F275 HydrophobicContact CG1-CE2 3.32Å; V120-F275 HydrophobicContact CG1-CZ 3.39Å; Y271-F275 HydrophobicContact CD1-CB 4.28Å; Y271-F275 HydrophobicContact CE1-CB 4.06Å; Y271-F275 AromaticContact CE1-CD2 3.71Å; Y271-F275 HydrophobicContact CE1-CD2 3.71Å; Y271-F275 HydrophobicContact CE1-CE2 4.35Å; Y271-F275 HydrophobicContact CE1-CG 4.02Å; Y271-F275 HydrophobicContact CE2-CD2 4.02Å; Y271-F275 AromaticContact CZ-CD2 3.39Å; Y271-F275 AromaticContact CZ-CE2 3.83Å; Y271-F275 WeakPolarHBondContact O-CB 3.46Å; Y271-F275 PolarHBondContact O-N 3.03Å; Y271-F275 VanDerWaalsContact OH-CD2 3.24Å; Y271-F275 WeakPolarHBondContact OH-CD2 3.45Å; Y271-F275 WeakPolarHBondContact OH-CE2 3.46Å; F275-W277 PolarHBondContact O-N 3.26Å; F275-W277 VanDerWaalsContact O-N 3.11Å; F275-M278 PolarHBondContact O-N 3.14Å; F275-Y279 AromaticContact CD2-CD2 3.98Å; F275-Y279 HydrophobicContact CD2-CD2 3.98Å; F275-Y279 HydrophobicContact CD2-CE2 4.4Å; F275-Y279 HydrophobicContact CE2-CD2 4.16Å; F275-Y279 PolarHBondContact O-N 2.96Å; F275-Y279 VanDerWaalsContact O-N 3.15Å; F275-F285 AromaticContact CE1-CD1 3.82Å; F275-F285 HydrophobicContact CE1-CD1 3.82Å; F275-F285 AromaticContact CE1-CE1 3.75Å; F275-F285 HydrophobicContact CE1-CE1 3.75Å; F275-F285 HydrophobicContact CE1-CG 4.3Å; F275-F285 HydrophobicContact CE1-CZ 4.18Å
276P63.9Low61.4Low6 Ų639.3 Ų39.34%0.03924%0.242CC..Hα-helixtrans-63-20.5177.5-23.336.1000114.1W74 M272 M287W74-P276 HydrophobicContact CE3-CG 4.44Å; W74-P276 HydrophobicContact CH2-CG 3.78Å; W74-P276 HydrophobicContact CZ2-CG 3.9Å; W74-P276 HydrophobicContact CZ3-CG 4.06Å; M272-P276 VanDerWaalsContact O-CD 3.29Å; M272-P276 WeakPolarHBondContact O-CD 3.48Å; P276-M287 HydrophobicContact CB-CE 4.15Å
277W64.9Low60.3Low59 Ų5937.9 Ų37.922%0.22323%0.234CC..Hα-helixtrans-97.2-28.1-177.6-64.7100.9000113.4E85 K89 M274 F275 M287E85-W277 HydrophobicContact CB-CH2 4.35Å; E85-W277 HydrophobicContact CG-CH2 3.28Å; E85-W277 HydrophobicContact CG-CZ2 4.22Å; E85-W277 HydrophobicContact CG-CZ3 3.61Å; E85-W277 WeakPolarHBondContact O-CH2 3.28Å; E85-W277 WeakPolarHBondContact O-CZ2 3.36Å; K89-W277 HydrophobicContact CB-CH2 3.76Å; K89-W277 HydrophobicContact CB-CZ2 3.33Å; K89-W277 HydrophobicContact CD-CD2 4.33Å; K89-W277 HydrophobicContact CD-CE3 4.35Å; K89-W277 HydrophobicContact CD-CH2 3.98Å; K89-W277 HydrophobicContact CD-CZ2 4.04Å; K89-W277 HydrophobicContact CD-CZ3 4.18Å; K89-W277 HydrophobicContact CG-CD2 4.28Å; K89-W277 HydrophobicContact CG-CH2 4.03Å; K89-W277 HydrophobicContact CG-CZ2 3.6Å; M274-W277 CarbonylContact O-C 3.55Å; M274-W277 WeakPolarHBondContact O-CA 3.4Å; M274-W277 WeakPolarHBondContact O-CB 3.31Å; M274-W277 PolarHBondContact O-N 3.15Å; F275-W277 PolarHBondContact O-N 3.26Å; F275-W277 VanDerWaalsContact O-N 3.11Å; W277-M287 HydrophobicContact CD2-CE 4.18Å; W277-M287 HydrophobicContact CE3-CE 4.39Å; W277-M287 HydrophobicContact CH2-CE 3.85Å; W277-M287 HydrophobicContact CZ2-CE 3.5Å; W277-M287 HydrophobicContact CZ3-CE 4.25Å
278M66.2Low58.6Low43 Ų4341.9 Ų41.921%0.21226%0.26CS..Hα-helixtrans-76.8-30.1174.8-81.9-82.1-97.400112.3D106 F110 M274 F275 P280D106-M278 HydrophobicContact CB-CE 4.18Å; F110-M278 HydrophobicContact CB-CE 3.8Å; F110-M278 HydrophobicContact CD2-CE 3.34Å; F110-M278 HydrophobicContact CD2-CG 4.35Å; F110-M278 HydrophobicContact CE2-CE 3.98Å; F110-M278 HydrophobicContact CE2-CG 4.09Å; F110-M278 HydrophobicContact CG-CE 3.7Å; F110-M278 HydrophobicContact CZ-CG 4.34Å; M274-M278 HydrophobicContact CB-CG 4.33Å; M274-M278 WeakPolarHBondContact O-CB 3.36Å; M274-M278 PolarHBondContact O-N 3.11Å; F275-M278 PolarHBondContact O-N 3.14Å; M278-P280 VanDerWaalsContact C-CD 3.45Å
279Y63.3Low57Low20 Ų2045.4 Ų45.48%0.07829%0.289CS..SBendtrans-130.459.5-174-58.9-70.2000113.4F110 K112 V120 P121 F275 G281F110-Y279 AromaticContact CD1-CE2 3.9Å; F110-Y279 HydrophobicContact CD1-CE2 3.9Å; F110-Y279 HydrophobicContact CE1-CE2 4.35Å; K112-Y279 VanDerWaalsContact CE-OH 3.26Å; K112-Y279 WeakPolarHBondContact CE-OH 3.39Å; V120-Y279 HydrophobicContact CB-CD1 4.38Å; V120-Y279 HydrophobicContact CB-CG 4.35Å; V120-Y279 HydrophobicContact CG1-CD2 4.08Å; V120-Y279 HydrophobicContact CG1-CG 4.08Å; V120-Y279 HydrophobicContact CG2-CD1 3.48Å; V120-Y279 VanDerWaalsContact CG2-CD1 3.48Å; V120-Y279 HydrophobicContact CG2-CD2 4.37Å; V120-Y279 HydrophobicContact CG2-CE1 4.13Å; V120-Y279 HydrophobicContact CG2-CG 3.58Å; P121-Y279 VanDerWaalsContact CD-CZ 3.43Å; P121-Y279 WeakPolarHBondContact CD-OH 3.4Å; P121-Y279 HydrophobicContact CG-CE2 4.07Å; F275-Y279 AromaticContact CD2-CD2 3.98Å; F275-Y279 HydrophobicContact CD2-CD2 3.98Å; F275-Y279 HydrophobicContact CD2-CE2 4.4Å; F275-Y279 HydrophobicContact CE2-CD2 4.16Å; F275-Y279 PolarHBondContact O-N 2.96Å; F275-Y279 VanDerWaalsContact O-N 3.15Å; Y279-G281 PolarHBondContact O-N 3.31Å; Y279-G281 VanDerWaalsContact O-N 3.14Å
280P55.6Low55.7Low86 Ų8651 Ų5156%0.55831%0.305SS*.THydrogen-bonded Turntrans-62.7116.9-179.327.2-34.9000111.3M278M278-P280 VanDerWaalsContact C-CD 3.45Å
281G51.9Low53.8Low54 Ų5455.3 Ų55.356%0.55735%0.35SS*.THydrogen-bonded Turntrans93.44.1171.600000117Y279Y279-G281 PolarHBondContact O-N 3.31Å; Y279-G281 VanDerWaalsContact O-N 3.14Å
282Y50.1Low51.8Low97 Ų9758.6 Ų58.638%0.3839%0.385SS..SBendtrans-67.4153.7169.3-176.8-102.4000111.7V120 G284 F285V120-Y282 HydrophobicContact CB-CD1 3.58Å; V120-Y282 HydrophobicContact CB-CD2 3.78Å; V120-Y282 HydrophobicContact CB-CE1 3.62Å; V120-Y282 HydrophobicContact CB-CE2 3.78Å; V120-Y282 HydrophobicContact CB-CG 3.66Å; V120-Y282 HydrophobicContact CG1-CD1 3.81Å; V120-Y282 HydrophobicContact CG1-CE1 3.98Å; V120-Y282 HydrophobicContact CG1-CG 4.24Å; V120-Y282 VanDerWaalsContact CG2-CB 3.44Å; V120-Y282 HydrophobicContact CG2-CD1 3.61Å; V120-Y282 HydrophobicContact CG2-CD2 3.28Å; V120-Y282 HydrophobicContact CG2-CE1 4.11Å; V120-Y282 HydrophobicContact CG2-CE2 3.79Å; V120-Y282 HydrophobicContact CG2-CG 3.15Å; Y282-G284 CarbonylContact O-C 3.6Å; Y282-G284 PolarHBondContact O-N 2.72Å; Y282-F285 HydrophobicContact CD1-CD2 4.21Å; Y282-F285 VanDerWaalsContact O-CA 3.29Å; Y282-F285 WeakPolarHBondContact O-CA 3.17Å; Y282-F285 WeakPolarHBondContact O-CB 3.32Å; Y282-F285 WeakPolarHBondContact O-CD2 3.4Å; Y282-F285 PolarHBondContact O-N 2.84Å
283G42.9Very low50Low46 Ų4664.8 Ų64.847%0.47441%0.414SS..THydrogen-bonded Turntrans51.318.6158.100000119.8F285G283-F285 VanDerWaalsContact C-N 3.28Å
284G41.8Very low48.3Very low64 Ų6476.9 Ų76.966%0.6646%0.457SS*.THydrogen-bonded Turntrans84.9-6.6-168.700000114.5I43 Y282 G286I43-G284 WeakPolarHBondContact CD1-O 3.49Å; Y282-G284 CarbonylContact O-C 3.6Å; Y282-G284 PolarHBondContact O-N 2.72Å; G284-G286 PolarHBondContact O-N 2.77Å
285F44.8Very low46.4Very low26 Ų2679.2 Ų79.211%0.11448%0.483CS..  trans-65.325162-55.9-96.8000113P42 I43 I53 F275 Y282 G283 M287P42-F285 HydrophobicContact CB-CE2 3.84Å; P42-F285 HydrophobicContact CB-CZ 3.94Å; I43-F285 VanDerWaalsContact CD1-CA 3.46Å; I43-F285 HydrophobicContact CD1-CB 4.06Å; I43-F285 HydrophobicContact CD1-CD1 3.55Å; I43-F285 HydrophobicContact CD1-CD2 4.17Å; I43-F285 HydrophobicContact CD1-CE1 3.96Å; I43-F285 HydrophobicContact CD1-CG 3.66Å; I43-F285 HydrophobicContact CD1-CZ 4.42Å; I43-F285 HydrophobicContact CG1-CD1 4.04Å; I43-F285 HydrophobicContact CG1-CE1 3.9Å; I43-F285 HydrophobicContact CG1-CG 4.4Å; I43-F285 HydrophobicContact CG1-CZ 4.14Å; I53-F285 HydrophobicContact CG1-CE1 4.35Å; I53-F285 HydrophobicContact CG2-CE1 3.68Å; I53-F285 HydrophobicContact CG2-CZ 4.24Å; F275-F285 AromaticContact CE1-CD1 3.82Å; F275-F285 HydrophobicContact CE1-CD1 3.82Å; F275-F285 AromaticContact CE1-CE1 3.75Å; F275-F285 HydrophobicContact CE1-CE1 3.75Å; F275-F285 HydrophobicContact CE1-CG 4.3Å; F275-F285 HydrophobicContact CE1-CZ 4.18Å; Y282-F285 HydrophobicContact CD1-CD2 4.21Å; Y282-F285 VanDerWaalsContact O-CA 3.29Å; Y282-F285 WeakPolarHBondContact O-CA 3.17Å; Y282-F285 WeakPolarHBondContact O-CB 3.32Å; Y282-F285 WeakPolarHBondContact O-CD2 3.4Å; Y282-F285 PolarHBondContact O-N 2.84Å; G283-F285 VanDerWaalsContact C-N 3.28Å; F285-M287 PolarHBondContact O-N 3.32Å
286G36Very low44.6Very low40 Ų4082.6 Ų82.641%0.41252%0.522SS..  trans-67.7100.9164.400000109.4G284G284-G286 PolarHBondContact O-N 2.77Å
287M45.4Very low43Very low19 Ų1985.9 Ų85.99%0.09456%0.558CS.*  trans-34.5125.7134.4-60.8-80-164.800107F83 E85 P276 W277 F285 P289F83-M287 HydrophobicContact CE1-SD 3.4Å; F83-M287 WeakPolarHBondContact CE1-SD 3.32Å; F83-M287 HydrophobicContact CZ-CE 4.26Å; F83-M287 HydrophobicContact CZ-SD 3.58Å; F83-M287 VanDerWaalsContact CZ-SD 3.58Å; E85-M287 HydrophobicContact CB-SD 3.83Å; E85-M287 HydrophobicContact CG-CB 4.45Å; E85-M287 HydrophobicContact CG-CE 3.91Å; E85-M287 HydrophobicContact CG-CG 4.1Å; E85-M287 HydrophobicContact CG-SD 3.61Å; E85-M287 WeakPolarHBondContact OE2-CB 3.47Å; P276-M287 HydrophobicContact CB-CE 4.15Å; W277-M287 HydrophobicContact CD2-CE 4.18Å; W277-M287 HydrophobicContact CE3-CE 4.39Å; W277-M287 HydrophobicContact CH2-CE 3.85Å; W277-M287 HydrophobicContact CZ2-CE 3.5Å; W277-M287 HydrophobicContact CZ3-CE 4.25Å; F285-M287 PolarHBondContact O-N 3.32Å; M287-P289 VanDerWaalsContact O-N 3.16Å
288P38.8Very low41.3Very low84 Ų8487 Ų8755%0.54559%0.587SS.*SBendtrans-51.7128-170.119.3-32.1000109.5R290P288-R290 PolarHBondContact O-N 3.2Å
289P38.2Very low39.6Very low124 Ų12489 Ų8981%0.80562%0.62SS**SBendtrans-51.4116.2-154.617.8-33.2000110.9M287 G291M287-P289 VanDerWaalsContact O-N 3.16Å; P289-G291 PolarHBondContact O-N 3.15Å
290R43.1Very low38.3Very low215 Ų21592.3 Ų92.381%0.81165%0.651SS**  trans-10104.1-173.4-91.4-176.7171166-1.7111.8P288 G292P288-R290 PolarHBondContact O-N 3.2Å; R290-G292 VanDerWaalsContact C-N 3.31Å; R290-G292 WeakPolarHBondContact O-CA 3.48Å; R290-G292 PolarHBondContact O-N 2.85Å
291G32.6Very low37.4Very low92 Ų9294 Ų9495%0.94866%0.662SS**THydrogen-bonded Turntrans-51.990.3-174.200000112.3P289P289-G291 PolarHBondContact O-N 3.15Å
292G32Very low36.8Very low73 Ų7397.5 Ų97.575%0.75367%0.674SS**THydrogen-bonded Turntrans-174.3-24.5-161.800000115.1R290R290-G292 VanDerWaalsContact C-N 3.31Å; R290-G292 WeakPolarHBondContact O-CA 3.48Å; R290-G292 PolarHBondContact O-N 2.85Å
293Q32.3Very low36.2Very low175 Ų17597.5 Ų97.582%0.81869%0.694SS**  trans-154.184.8168.5-138.6161.916.300115.5G295Q293-G295 PolarHBondContact O-N 2.93Å; Q293-G295 VanDerWaalsContact O-N 3.17Å
294R31.6Very low35.8Very low268 Ų26899.4 Ų99.4100%1.01172%0.715SS**  trans-74.391.7151.4-94.8-173.5170.8-174.4-1.1108.3
295G30.6Very low35.6Very low56 Ų56100.1 Ų100.158%0.57772%0.722SS**  trans-177.668.818000000116.6Q293Q293-G295 PolarHBondContact O-N 2.93Å; Q293-G295 VanDerWaalsContact O-N 3.17Å
296G30.9Very low35.6Very low87 Ų87103.7 Ų103.790%0.89776%0.756SS**  trans71152.4171.900000114.5
297G29.4Very low35.7Very low76 Ų76108.2 Ų108.278%0.78478%0.778SS**  cis-164.4146.7-700000105.9
298G30.5Very low35.5Very low81 Ų81111.3 Ų111.384%0.83582%0.815SS**  75.280.457.900000108A300G298-A300 PolarHBondContact O-N 3.13Å
299G29.7Very low35.5Very low87 Ų87111.1 Ų111.190%0.89783%0.828SS**  trans-69.7119-171.300000113.1
300A36.2Very low35.6Very low89 Ų89109.1 Ų109.174%0.73683%0.83SS**  trans-171.9128.5154.200000110.2G298G298-A300 PolarHBondContact O-N 3.13Å
301P35.8Very low35.8Very low122 Ų122103.5 Ų103.579%0.79283%0.83SS**  trans-88.7164.5153.636.4-31.2000110.1
302P39.9Very low36.5Very low126 Ų126105.3 Ų105.382%0.81883%0.825SS**  cis-127-154.4-11.240.5-22.8000111.9
303A38.1Very low37Very low97 Ų97107 Ų10780%0.80283%0.832SS**  trans89.188.8160.400000119.8
304G33.5Very low37.3Very low87 Ų87102.6 Ų102.690%0.89783%0.833SS**  trans25.7125.8134.900000122.9
305G37.3Very low37.7Very low79 Ų7993.5 Ų93.581%0.81482%0.823SS**  trans172.3121.9160.100000111.9
306A45.5Very low38.5Very low101 Ų10196.7 Ų96.784%0.83583%0.833SS**  trans-80.3150.3-177.500000112.8
307P37.9Very low39.3Very low135 Ų13598.5 Ų98.588%0.87783%0.829SS**  trans-86.1133-178.233.5-33.4000112.5
308G40.7Very low39.9Very low84 Ų8498.7 Ų98.787%0.86683%0.831SS**  trans-160104.6172.200000111.5
309G39Very low40.4Very low79 Ų7999.1 Ų99.181%0.81484%0.835SS**  trans-167.483.4-176.600000112.9
310G41.7Very low41.1Very low83 Ų8399.6 Ų99.686%0.85683%0.831SS**  trans-74.3147.2164.600000111
311A46.8Very low42.1Very low97 Ų97101.1 Ų101.180%0.80283%0.834SS**  trans-99.6-166.8-162.700000113.2
312P47.9Very low42.9Very low130 Ų130101 Ų10184%0.84483%0.832SS**  -128.4179.5-120.232.5-9.6000115.1
313A41.2Very low43.3Very low109 Ų109100.6 Ų100.690%0.90183%0.833SS**  trans-158.4141.2163.100000113.1
314G39.1Very low43.4Very low81 Ų81100.2 Ų100.284%0.83584%0.839SS**  trans112.563.7142.600000121.9
315G39.7Very low43.7Very low78 Ų7899.6 Ų99.680%0.80483%0.832SS**  trans79.1167.5132.400000122
316P48.2Very low44.3Very low123 Ų123101.8 Ų101.880%0.79983%0.832SS**  trans-133.4-149.5-155.940.1-17.9000112.6
317P47.8Very low44.5Very low125 Ų125103.2 Ų103.281%0.81283%0.833SS**  -121.7174.2-55.427.4-8.9000113
318G41.8Very low44.7Very low80 Ų80100.7 Ų100.783%0.82583%0.831SS**  trans173.3144.8160.300000116.4
319G40.8Very low44.8Very low89 Ų89100.8 Ų100.892%0.91883%0.832SS**  trans110.8119.5167.500000115.5
320A44.1Very low44.8Very low98 Ų98101.1 Ų101.181%0.8184%0.835SS**  trans-106.9168.9-177.600000112.5
321P56.8Low45.2Very low121 Ų121102 Ų10279%0.78683%0.834SS**  trans-97-145.8-171.344.3-38.4000110.4
322P54.2Low45.1Very low118 Ų118103.9 Ų103.977%0.76684%0.838SS**  cis-136.2178.5-16.941.2-24.6000115.1
323S46.6Very low44.8Very low119 Ų119101.2 Ų101.283%0.83283%0.834SS**  trans-176.6128148.2560000116.1
324G41Very low44.8Very low89 Ų89100.2 Ų100.292%0.91884%0.835SS**  trans67.6149.2155.100000118.6
325G41Very low44.8Very low73 Ų73100.2 Ų100.275%0.75384%0.835SS**  cis-170.4172.10.100000110.5
326P48.8Very low44.8Very low126 Ų126102.2 Ų102.282%0.81884%0.836SS**  trans-119.9-148.9-145.847.2-34.5000114.1
327P49Very low44.7Very low131 Ų131102.3 Ų102.385%0.85184%0.837SS**  -126.6175.9-119.733.7-10.4000116.7
328G42.7Very low44.3Very low81 Ų81100.3 Ų100.384%0.83584%0.839SS**  trans-179.5154.5165.500000109.3
329G42.4Very low44.2Very low86 Ų86101.5 Ų101.589%0.88784%0.841SS**  cis146115.63.800000108.8
330G40.6Very low44.2Very low86 Ų86104.6 Ų104.689%0.88784%0.837SS**  trans175.1139.1-177.200000112.9
331A48.2Very low44.7Very low102 Ų102105.2 Ų105.284%0.84383%0.833SS**  trans-129.8175.5-163.900000112.2
332P46.6Very low44.3Very low136 Ų136104.6 Ų104.688%0.88383%0.829SS**  trans-101170.8-160.139.5-36.6000116.5
333G40.6Very low43.5Very low74 Ų74103.7 Ų103.776%0.76383%0.831SS**  trans-154.5141.6161.300000108.1
334G40.7Very low43.2Very low89 Ų89103.2 Ų103.292%0.91883%0.834SS**  84.4133.670.600000109.6
335G39.6Very low43.1Very low80 Ų80102.4 Ų102.483%0.82583%0.826SS**  cis-178.1169.70.700000109
336S40.7Very low43.3Very low120 Ų120105.1 Ų105.184%0.83983%0.83SS**  trans-77.5-160.7-175.6-29.60000113.2
337P44.8Very low43.1Very low126 Ų126108 Ų10882%0.81883%0.83SS**  cis-137.2176-24.234.4-15.5000115
338G39Very low42.8Very low82 Ų82110.8 Ų110.885%0.84583%0.832SS**  trans106.2127130.600000121
339A40.1Very low42.6Very low106 Ų106111 Ų11188%0.87683%0.834SS**  trans-169.7136.9141.300000110
340N41.4Very low42.5Very low153 Ų153111.6 Ų111.682%0.81883%0.83SS**  trans-158.8165.9177.1-145.73.4000109.5
341P54.5Low43.1Very low112 Ų112112.9 Ų112.973%0.72782%0.823SS**  -97.4-97.6-90.630.6-16.6000112.7
342P47.8Very low42.9Very low108 Ų108116.3 Ų116.370%0.70183%0.828SS**  cis-127.2176-14.544-28.2000116.3
343A37.3Very low42.6Very low99 Ų99112.9 Ų112.982%0.81882%0.817SS**  trans69.5120.7147.500000122.9
344A40.8Very low42.6Very low109 Ų109118.6 Ų118.690%0.90182%0.824SS**  -169.1140.7121.800000111.8
345G38Very low43.1Very low72 Ų72121.7 Ų121.774%0.74282%0.819SS**  trans-115.5-162.1-179.800000114.3
346P45.3Very low43.5Very low130 Ų130123.1 Ų123.184%0.84481%0.814SS**  -117.4178.6-123.742-35.5000116.4
347K45.3Very low43.7Very low185 Ų185120.9 Ų120.980%0.80481%0.809SS**  trans-167.6120.2159.7-99.9158-175-177.20108.1
348E43.3Very low43.9Very low190 Ų190124.1 Ų124.189%0.88881%0.811SS**  67.8117.975.4-70.6-174.115900114.9
349G38.3Very low44.4Very low86 Ų86127 Ų12789%0.88781%0.807SS**  trans148.5106.3169.500000114.2
350A39.3Very low44.7Very low98 Ų98131.5 Ų131.581%0.8181%0.807SS**  trans-120.2-165.4178.800000110.9
351P52.6Low44.7Very low114 Ų114128.1 Ų128.174%0.7481%0.807SS**  -130.1168.8-96.939.5-22.7000116.7
352D45.1Very low44Very low174 Ų174126.3 Ų126.393%0.9381%0.81SS**  trans-158.7161.9161.7-87.8-49.7000107.7
353G40.2Very low43.8Very low64 Ų64130.1 Ų130.166%0.6682%0.815SS**  cis178169.6-3.300000112.6
354E40.8Very low44.1Very low194 Ų194130.6 Ų130.691%0.90780%0.804SS**  trans49.286157.7-68.8168.197.400122.1
355D50.7Low44.1Very low154 Ų154134.2 Ų134.282%0.82480%0.799SS**  22.1168.5106.7-141.336.5000121.7
356P48.7Very low43.9Very low110 Ų110134.5 Ų134.571%0.71480%0.802SS**  -123.1171.9-73.236.5-22.9000115.2
357G43.4Very low43.2Very low72 Ų72132.5 Ų132.574%0.74281%0.805SS**  trans-159.3107.217200000117.7
358K49.9Very low42.6Very low195 Ų195127 Ų12785%0.84880%0.801SS**  trans8.2141.9145.5-56.1168.2-174.71640117.8
359D49.1Very low42.2Very low142 Ų142127 Ų12776%0.75981%0.806SS**  -165.3-178.160.4-131.2-48.7000116.1
360K46.2Very low42Very low201 Ų201126.3 Ų126.387%0.87480%0.799SS**  trans-92.2153.9-164.4-64163.9175.8168.40116.3
361G42.1Very low41.8Very low81 Ų81125.6 Ų125.684%0.83580%0.801SS**  trans141.2138.6149.500000113.6
362G39.7Very low41.1Very low75 Ų75124.2 Ų124.277%0.77380%0.799SS**  cis155.7122.8-7.900000113.4
363K43.9Very low40.7Very low188 Ų188124.7 Ų124.782%0.81780%0.801SS**  trans77.8148.6153-107.6178.1-1771780121.6
364D44Very low40.4Very low109 Ų109125.4 Ų125.458%0.58381%0.809SS**  trans71.1145.6153.3-64.6-44.6000118
365K40.1Very low40.3Very low185 Ų185120.1 Ų120.180%0.80481%0.806SS**  cis-174.6146.1-28.1-122.3176.7-162.31510109.5
366G34.2Very low39.4Very low77 Ų77121.6 Ų121.679%0.79481%0.813SS**  trans68.8110.3142.300000120.9
367G30.8Very low38.8Very low89 Ų89120.2 Ų120.292%0.91882%0.819SS**  80.6142.498.200000121
368G33Very low38.3Very low69 Ų69120.3 Ų120.371%0.71182%0.819SS**  trans119110.5164.400000112.6
369L33.4Very low38Very low189 Ų189121.2 Ų121.299%0.9982%0.824SS**  82.8118.465.2-83163.2000114.5
370G34.2Very low37.3Very low73 Ų73118.1 Ų118.175%0.75383%0.825SS**  trans139.7114.8179.500000108.1
371G35Very low37Very low82 Ų82118.3 Ų118.385%0.84583%0.826SS**  cis84.7129.632.600000108.8
372A38.9Very low36.8Very low85 Ų85123 Ų12370%0.70283%0.831SS**  cis-164.6-175.30.900000108.9
373L36.4Very low36.7Very low184 Ų184125.1 Ų125.196%0.96383%0.83SS**  trans69.9138.5171.6-51.8119.8000115.6
374G34.5Very low36.4Very low80 Ų80119.6 Ų119.683%0.82583%0.827SS**  cis149.3149.5-3.100000111.2
375G37.6Very low36.3Very low82 Ų82122.9 Ų122.985%0.84584%0.844SS**  trans127.183.1168.300000115.8
376L33.4Very low36.3Very low185 Ų185119.9 Ų119.997%0.96984%0.843SS**  trans-85.8146163.3-123.882.4000110.5
377G35.5Very low36.6Very low82 Ų82120 Ų12085%0.84585%0.845SS**  trans98.2131.616600000114.4
378G32.9Very low36.6Very low73 Ų73121.2 Ų121.275%0.75385%0.846SS**  cis120.693.67.600000111.5
379K43.2Very low36.7Very low215 Ų215121.8 Ų121.894%0.93585%0.852SS**  trans-175.5122.2156.5-104.3156.3-172.1177.70108.5
380G34.5Very low36.7Very low76 Ų76116.3 Ų116.378%0.78484%0.84SS**  trans-89.2176.9-172.700000114.6
381K40.3Very low37Very low206 Ų206121.1 Ų121.190%0.89685%0.848SS**  trans-163.5111.1151.7-109.3171.5-177.5-178.30108.7P383K381-P383 WeakPolarHBondContact O-CD 3.37Å
382L37.8Very low37.2Very low180 Ų180122.5 Ų122.594%0.94284%0.842SS**  trans-87.3129.2164.2-99.8153.9000108.6
383P36.5Very low37.3Very low118 Ų118128.3 Ų128.377%0.76685%0.852SS**  trans-137.9132.2150.534.6-19.7000113.4K381K381-P383 WeakPolarHBondContact O-CD 3.37Å
384G37.9Very low37.4Very low72 Ų72127.2 Ų127.274%0.74285%0.846SS**  trans96.793.7153.300000117.7
385L42.7Very low37.4Very low178 Ų178129.1 Ų129.193%0.93284%0.844SS**  trans-80136.6145.4-86.987.3000109.3
386P40Very low37.4Very low123 Ų123128.9 Ų128.980%0.79984%0.841SS**  trans-127129.1154.834.1-20.8000112.8
387G39.1Very low37.9Very low80 Ų80128.7 Ų128.783%0.82584%0.837SS**  trans74.797.8146.200000118.5
388A31.7Very low38.4Very low114 Ų114130.4 Ų130.494%0.94283%0.834SS**  trans-66.1137.6157.700000110.8
389G34.5Very low38.9Very low81 Ų81136.8 Ų136.884%0.83584%0.841SS**  trans-174.7125173.800000114
390G34.2Very low38.7Very low73 Ų73134.4 Ų134.475%0.75384%0.838SS**  trans101.262.616200000117.4P392G390-P392 VanDerWaalsContact O-CD 3.3Å; G390-P392 WeakPolarHBondContact O-CD 3.46Å
391L39.7Very low39Very low174 Ų174135.8 Ų135.891%0.91183%0.832SS**PPolyproline II helixtrans-71.1118.4160.6-104.4159.2000110.1
392P40.7Very low38.8Very low111 Ų111129.6 Ų129.672%0.72183%0.828SS**PPolyproline II helixtrans-73.6145.4172.4-13.430.6000110.9G390 L394G390-P392 VanDerWaalsContact O-CD 3.3Å; G390-P392 WeakPolarHBondContact O-CD 3.46Å; P392-L394 PolarHBondContact O-N 3.07Å
393K39.9Very low39.3Very low208 Ų208128.2 Ų128.290%0.90482%0.82SS**PPolyproline II helixtrans-66.7123176.2-74172.2175.9170.80110.7
394L38.8Very low39.3Very low161 Ų161128.8 Ų128.884%0.84382%0.823SS**PPolyproline II helixtrans-62.2138.4167.6-85.8158.6000110.9P392P392-L394 PolarHBondContact O-N 3.07Å
395P35Very low39.9Very low119 Ų119127.8 Ų127.877%0.77381%0.813SS**PPolyproline II helixtrans-58.3142.2169.5-23.534.6000111.6M397P395-M397 PolarHBondContact O-N 3.32Å
396G37.6Very low40Very low77 Ų77128.4 Ų128.479%0.79481%0.808SS**PPolyproline II helixtrans-69.7126.5-172.700000113.4
397M43.2Very low40.4Very low181 Ų181127.2 Ų127.289%0.89281%0.809SS**PPolyproline II helixtrans-60137.3163.8-76.3179.4164.300110.4P395 K399P395-M397 PolarHBondContact O-N 3.32Å; M397-K399 PolarHBondContact O-N 3.26Å
398P46.7Very low41Very low119 Ų119131.2 Ų131.277%0.77381%0.808SS**PPolyproline II helixtrans-65.6133.217526.7-33.1000110.7L400P398-L400 PolarHBondContact O-N 3.25Å; P398-L400 VanDerWaalsContact O-N 3.16Å
399K43.6Very low42.2Very low206 Ų206130.6 Ų130.690%0.89679%0.788SS**  trans-67.8110.8172.4-73.9177.4176.2174.30109.6M397M397-K399 PolarHBondContact O-N 3.26Å
400L39.3Very low43Very low166 Ų166133.9 Ų133.987%0.86978%0.783SS**PPolyproline II helixtrans-63.4131.2166.2-84.3156.7000109.7P398P398-L400 PolarHBondContact O-N 3.25Å; P398-L400 VanDerWaalsContact O-N 3.16Å
401P39.2Very low44Very low104 Ų104134.4 Ų134.468%0.67577%0.774SS**PPolyproline II helixtrans-72.8134.7-178.729-33.8000111I403P401-I403 PolarHBondContact O-N 2.81Å
402G37Very low44.8Very low77 Ų77131.7 Ų131.779%0.79476%0.76SS**PPolyproline II helixtrans-68.9119.5174.900000111.4
403I47.3Very low45.6Very low151 Ų151130.8 Ų130.877%0.77475%0.748SS**  trans-101.5112.6174.4-60.6-180000109.2P401 G405P401-I403 PolarHBondContact O-N 2.81Å; I403-G405 PolarHBondContact O-N 2.59Å
404P37.8Very low46.4Very low130 Ų130125 Ų12584%0.84473%0.733SS**  trans-79.9108.9176.331.2-31.8000110.3
405G49.3Very low47.4Very low51 Ų51125.4 Ų125.453%0.52673%0.728SS.*  trans-150-28.6-179.100000117I403 A407I403-G405 PolarHBondContact O-N 2.59Å; G405-A407 PolarHBondContact O-N 2.98Å; G405-A407 VanDerWaalsContact O-N 3.09Å
406F45.4Very low48.6Very low190 Ų190125.3 Ų125.383%0.83372%0.72SS**G310 helixtrans-69-11.6-169.7-98.6-89.6000116.3M408F406-M408 VanDerWaalsContact C-N 3.29Å; F406-M408 PolarHBondContact O-N 3.1Å
407A47.7Very low49.5Very low99 Ų99126.8 Ų126.882%0.81871%0.709SS**G310 helixtrans-72.6-12.2-175.500000115.2G405G405-A407 PolarHBondContact O-N 2.98Å; G405-A407 VanDerWaalsContact O-N 3.09Å
408M52.7Low50.1Low163 Ų163121.5 Ų121.580%0.80369%0.694SS**G310 helixtrans-101-5.6-172.8-69.5-129.8-111.800116.1F406 P411F406-M408 VanDerWaalsContact C-N 3.29Å; F406-M408 PolarHBondContact O-N 3.1Å; M408-P411 WeakPolarHBondContact O-CD 3.4Å
409I56.3Low50.6Low101 Ų101119.8 Ų119.852%0.51868%0.683SS.*SBendtrans-89.5-28.7-173.6-67.6174.2000113.2P411 L412I409-P411 VanDerWaalsContact C-CD 3.47Å; I409-L412 PolarHBondContact O-N 2.92Å; I409-L412 VanDerWaalsContact O-N 3.17Å
410M51.3Low51.3Low150 Ų150114.8 Ų114.874%0.73967%0.665SS**Hα-helixtrans-51.3-43.2179.5-90.2-67.2-161.400116.4L412M410-L412 PolarHBondContact O-N 2.74Å
411P54.6Low52.1Low85 Ų85115.8 Ų115.855%0.55266%0.662SS**Hα-helixtrans-73.3-8.3-177.328.5-35000114.7M408 I409M408-P411 WeakPolarHBondContact O-CD 3.4Å; I409-P411 VanDerWaalsContact C-CD 3.47Å
412L56.7Low53.2Low117 Ų117119.7 Ų119.761%0.61367%0.669SS**Hα-helixtrans-83.5-38.3179.4-117.9156.9000112I409 M410 S414 K415I409-L412 PolarHBondContact O-N 2.92Å; I409-L412 VanDerWaalsContact O-N 3.17Å; M410-L412 PolarHBondContact O-N 2.74Å; L412-S414 VanDerWaalsContact C-N 3.35Å; L412-S414 PolarHBondContact O-N 2.95Å; L412-K415 PolarHBondContact O-N 3.11Å
413I58.3Low54.2Low91 Ų91122.8 Ų122.847%0.46767%0.667SS.*Hα-helixtrans-65.2-37.5-179.4-60.5174.4000111.2K415 I416 L417I413-K415 PolarHBondContact O-N 3.19Å; I413-I416 PolarHBondContact O-N 3.05Å; I413-L417 HydrophobicContact CG2-CD1 4.1Å; I413-L417 PolarHBondContact O-N 3.04Å
414S56.7Low55Low86 Ų86124.9 Ų124.960%0.60167%0.67SS**Hα-helixtrans-64.1-22.6178-56.60000114.5L412L412-S414 VanDerWaalsContact C-N 3.35Å; L412-S414 PolarHBondContact O-N 2.95Å
415K58.8Low55.9Low170 Ų170124.5 Ų124.574%0.73969%0.69SS**Hα-helixtrans-80.6-25.7176.4-74.9-175.5176.4177.60113.2L412 I413L412-K415 PolarHBondContact O-N 3.11Å; I413-K415 PolarHBondContact O-N 3.19Å
416I61.8Low56.3Low117 Ų117128.2 Ų128.260%0.670%0.698SS**Hα-helixtrans-80-30.8-179.9-60.6174.4000111.2I413 P419I413-I416 PolarHBondContact O-N 3.05Å; I416-P419 WeakPolarHBondContact O-CD 3.48Å
417L55.1Low56.8Low109 Ų109124.9 Ų124.957%0.57169%0.691SS**Hα-helixtrans-82.7-16.1-179.4-74.3164.6000114.8I413I413-L417 HydrophobicContact CG2-CD1 4.1Å; I413-L417 PolarHBondContact O-N 3.04Å
418A57.4Low57.4Low70 Ų70126.3 Ų126.358%0.57968%0.684SS**THydrogen-bonded Turntrans-60.3-42.5-177.500000115.9
419P55.5Low57.6Low83 Ų83124.2 Ų124.254%0.53968%0.677SS.*THydrogen-bonded Turntrans-74.2-25.9-177.827.2-34.6000114.5I416 K421 K422I416-P419 WeakPolarHBondContact O-CD 3.48Å; P419-K421 VanDerWaalsContact C-N 3.26Å; P419-K421 PolarHBondContact O-N 2.7Å; P419-K422 PolarHBondContact O-N 3.18Å
420I59.5Low57.7Low100 Ų100125.6 Ų125.651%0.51369%0.687SS.*G310 helixtrans-65.7-30.7-174.3-62.7177.2000111.7K422 L423I420-K422 PolarHBondContact O-N 3.33Å; I420-K422 VanDerWaalsContact O-N 3.11Å; I420-L423 PolarHBondContact O-N 3.17Å
421K55.6Low58.1Low187 Ų187124 Ų12481%0.81368%0.683SS**G310 helixtrans-70.2-6-179.7-148.7174-174.1177.40114.4P419P419-K421 VanDerWaalsContact C-N 3.26Å; P419-K421 PolarHBondContact O-N 2.7Å
422K61.6Low58.4Low187 Ų187126.8 Ų126.881%0.81369%0.693SS**G310 helixtrans-97.53.2177.9-116.5-176-178.9-175.10114.6P419 I420P419-K422 PolarHBondContact O-N 3.18Å; I420-K422 PolarHBondContact O-N 3.33Å; I420-K422 VanDerWaalsContact O-N 3.11Å
423L59Low58.5Low142 Ų142127.5 Ų127.574%0.74370%0.699SS**SBendtrans-109.8-3.4179.1-80.7159.8000113.6I420I420-L423 PolarHBondContact O-N 3.17Å
424F64.5Low58.5Low194 Ų194130.6 Ų130.685%0.85172%0.718SS**  trans-135.927.1-175.6-74.1-79.9000113.3
425G57.2Low58.7Low122 Ų122134.6 Ų134.6100%1.25873%0.729SS**  trans-165.5017400000110.4

Retrieved 425 of 425 residues in 90.7 ms (Link to these results)