A0A3Q0KMY2_SCHMA Loading...

Large ribosomal subunit protein mL44

AlphaFold DB , UniProt , Accession A0A3Q0KMY2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 340 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.7Very low45.5Very low251 Ų251160.2 Ų160.2100%1.23685%0.852SS**  0103.30-72-163.617900108.7
2S45.6Very low45.4Very low120 Ų120158.8 Ų158.884%0.83984%0.842SS**  trans-133.6125.5172.550.80000107.8
3R45.1Very low45.3Very low236 Ų236153.8 Ų153.889%0.89183%0.828SS**  trans-65131.6-162.9-69.8176.2173.9-177.7-2.9111.9F5R3-F5 PolarHBondContact O-N 3.15Å
4L45.1Very low45.4Very low166 Ų166151.2 Ų151.287%0.86983%0.826SS**  trans-60108.8166.7-69.4157.4000109.3T6L4-T6 PolarHBondContact O-N 3.01Å
5F49.9Very low45.7Very low199 Ų199148.9 Ų148.987%0.87382%0.818SS**  trans-77.6102.3161.3-83.1-84.1000107.8R3 L7R3-F5 PolarHBondContact O-N 3.15Å; F5-L7 PolarHBondContact O-N 3.22Å; F5-L7 VanDerWaalsContact O-N 3.1Å
6T48Very low45.9Very low128 Ų128154.4 Ų154.479%0.78582%0.823SS**  trans-63.3104.6169.747.80000108.9L4 S8L4-T6 PolarHBondContact O-N 3.01Å; T6-S8 PolarHBondContact O-N 3.21Å
7L46.6Very low46.4Very low169 Ų169154.6 Ų154.689%0.88582%0.817SS**  trans-66.396.8165-71.1162.9000107.4F5 P9F5-L7 PolarHBondContact O-N 3.22Å; F5-L7 VanDerWaalsContact O-N 3.1Å; L7-P9 VanDerWaalsContact O-CD 3.31Å; L7-P9 WeakPolarHBondContact O-CD 3.44Å
8S44.6Very low47.4Very low97 Ų97149.2 Ų149.268%0.67881%0.805SS**  trans-64.2117.3164.444.80000107.4T6 V10T6-S8 PolarHBondContact O-N 3.21Å; S8-V10 PolarHBondContact O-N 3.18Å
9P47.7Very low48.7Very low112 Ų112154 Ų15473%0.72781%0.81SS**  trans-69.4107172.329.1-29000105.5L7 L11L7-P9 VanDerWaalsContact O-CD 3.31Å; L7-P9 WeakPolarHBondContact O-CD 3.44Å; P9-L11 VanDerWaalsContact C-N 3.28Å; P9-L11 PolarHBondContact O-N 3.09Å
10V48.7Very low50.2Low122 Ų122155.5 Ų155.574%0.73980%0.804SS**  trans-57.2104.6162.9177.30000104.6S8 I12S8-V10 PolarHBondContact O-N 3.18Å; V10-I12 PolarHBondContact O-N 3.35Å
11L42.4Very low52Low162 Ų162151 Ų15185%0.84879%0.785SS**  trans-5888.3165.7-76.9162.3000105.5P9 S13P9-L11 VanDerWaalsContact C-N 3.28Å; P9-L11 PolarHBondContact O-N 3.09Å; L11-S13 PolarHBondContact O-N 2.98Å
12I44.6Very low54.4Low143 Ų143150.7 Ų150.773%0.73377%0.77SS**  trans-56.4102.3164.8-65.6164.6000102.6V10 C14V10-I12 PolarHBondContact O-N 3.35Å; I12-C14 PolarHBondContact O-N 3.19Å
13S44Very low56.7Low94 Ų94151.5 Ų151.566%0.65776%0.758SS**  trans-49.5109.6175.552.90000105.3L11 V15L11-S13 PolarHBondContact O-N 2.98Å; S13-V15 PolarHBondContact O-N 3.36Å
14C46.6Very low59Low118 Ų118142.3 Ų142.380%0.79773%0.727SS**  trans-49.6103.6172-56.90000104.3I12 R16I12-C14 PolarHBondContact O-N 3.19Å; C14-R16 VanDerWaalsContact C-N 3.31Å; C14-R16 PolarHBondContact O-N 2.97Å
15V50.1Low61.3Low117 Ų117144.5 Ų144.571%0.70972%0.723SS**  trans-51.4110.2176.8170.90000102.3S13 H17S13-V15 PolarHBondContact O-N 3.36Å; V15-H17 PolarHBondContact O-N 3.14Å
16R48.1Very low63.5Low237 Ų237138.9 Ų138.989%0.89471%0.707SS**  trans-57.694.3174.2-76.5-179177.5-176.9-0.1103C14 G18C14-R16 VanDerWaalsContact C-N 3.31Å; C14-R16 PolarHBondContact O-N 2.97Å; R16-G18 PolarHBondContact O-N 3.45Å
17H54.7Low65.9Low158 Ų158138.8 Ų138.873%0.73169%0.693SS**  trans-57.289.9155.7-108.264.1000101.8V15 R19V15-H17 PolarHBondContact O-N 3.14Å; H17-R19 PolarHBondContact O-N 2.95Å
18G65.6Low68.3Low57 Ų57135 Ų13559%0.58867%0.673SS**  trans-48.2115.8171.600000103.6R16 R20R16-G18 PolarHBondContact O-N 3.45Å; G18-R20 PolarHBondContact O-N 3.38Å
19R71.3Confident70.8Confident240 Ų240136.9 Ų136.991%0.90667%0.669SS**  trans-47.9109-172.8-75.5-177.9174.3-174.8-2106.1H17 P21H17-R19 PolarHBondContact O-N 2.95Å; R19-P21 VanDerWaalsContact O-CD 3.23Å; R19-P21 WeakPolarHBondContact O-CD 3.48Å
20R78.5Confident73.1Confident184 Ų184134.3 Ų134.369%0.69465%0.649SS**  trans-56.8118.9-179.5-78.5-169.8-178.2-164.92105.4G18 R22 I24G18-R20 PolarHBondContact O-N 3.38Å; R20-R22 PolarHBondContact O-N 2.9Å; R20-I24 HydrophobicContact CB-CD1 4.17Å; R20-I24 HydrophobicContact CG-CD1 4.49Å
21P87.8Confident75.4Confident62 Ų62131.7 Ų131.740%0.40363%0.631SS.*  trans-57.7144.1-175.118.7-31.6000110R19 F23 I24R19-P21 VanDerWaalsContact O-CD 3.23Å; R19-P21 WeakPolarHBondContact O-CD 3.48Å; P21-F23 HydrophobicContact CB-CD1 3.61Å; P21-F23 HydrophobicContact CB-CE1 3.38Å; P21-F23 HydrophobicContact CB-CZ 4.31Å; P21-F23 HydrophobicContact CG-CD1 4Å; P21-F23 HydrophobicContact CG-CE1 3.33Å; P21-F23 HydrophobicContact CG-CZ 3.78Å; P21-F23 PolarHBondContact O-N 3.33Å; P21-I24 VanDerWaalsContact CD-CD1 3.43Å; P21-I24 HydrophobicContact CG-CD1 3.59Å; P21-I24 HydrophobicContact CG-CG1 3.94Å; P21-I24 PolarHBondContact O-N 2.79Å
22R88.2Confident78Confident243 Ų243130.5 Ų130.592%0.91762%0.616SS**THydrogen-bonded Turntrans-57.6-23.5-167.1-61-175.7-158.6-169.46113.5R20 I24 P26R20-R22 PolarHBondContact O-N 2.9Å; R22-I24 VanDerWaalsContact C-N 3.33Å; R22-I24 PolarHBondContact O-N 2.98Å; R22-P26 WeakPolarHBondContact O-CD 3.37Å
23F93.1Very high80.5Confident137 Ų137127.3 Ų127.360%0.60160%0.6SS**THydrogen-bonded Turntrans-72.2-20.1179.174.5-98.6000114.1P21 R25 P26 Y27P21-F23 HydrophobicContact CB-CD1 3.61Å; P21-F23 HydrophobicContact CB-CE1 3.38Å; P21-F23 HydrophobicContact CB-CZ 4.31Å; P21-F23 HydrophobicContact CG-CD1 4Å; P21-F23 HydrophobicContact CG-CE1 3.33Å; P21-F23 HydrophobicContact CG-CZ 3.78Å; P21-F23 PolarHBondContact O-N 3.33Å; F23-R25 PolarHBondContact O-N 3.17Å; F23-P26 VanDerWaalsContact O-CD 3.29Å; F23-P26 WeakPolarHBondContact O-CD 3.46Å; F23-P26 VanDerWaalsContact O-CG 3.31Å; F23-P26 WeakPolarHBondContact O-CG 3.48Å; F23-Y27 WeakPolarHBondContact O-CB 3.47Å; F23-Y27 PolarHBondContact O-N 3.04Å; F23-Y27 VanDerWaalsContact O-N 3.14Å
24I93.9Very high83Confident43 Ų43129.3 Ų129.322%0.22159%0.593CS.*Hα-helixtrans-65-44.7-173.9-69.1178.3000111.5R20 P21 R22 Y27 L28R20-I24 HydrophobicContact CB-CD1 4.17Å; R20-I24 HydrophobicContact CG-CD1 4.49Å; P21-I24 VanDerWaalsContact CD-CD1 3.43Å; P21-I24 HydrophobicContact CG-CD1 3.59Å; P21-I24 HydrophobicContact CG-CG1 3.94Å; P21-I24 PolarHBondContact O-N 2.79Å; R22-I24 VanDerWaalsContact C-N 3.33Å; R22-I24 PolarHBondContact O-N 2.98Å; I24-Y27 PolarHBondContact O-N 3.02Å; I24-L28 HydrophobicContact CG2-CD1 3.72Å; I24-L28 HydrophobicContact CG2-CG 4.13Å; I24-L28 WeakPolarHBondContact O-CB 3.43Å; I24-L28 WeakPolarHBondContact O-CG 3.31Å; I24-L28 PolarHBondContact O-N 3.48Å
25R93.9Very high85.3Confident213 Ų213132.6 Ų132.680%0.80459%0.589SS**Hα-helixtrans-62.2-52.7-178.4-176.3178.6175.9-170.5-0.8113F23 Y27 L28 K29F23-R25 PolarHBondContact O-N 3.17Å; R25-Y27 VanDerWaalsContact C-N 3.28Å; R25-Y27 PolarHBondContact O-N 3.09Å; R25-L28 PolarHBondContact O-N 3.34Å; R25-K29 PolarHBondContact O-N 3.34Å
26P96.4Very high87.4Confident80 Ų80132 Ų13252%0.51958%0.581SS.*Hα-helixtrans-63-36.1177.623.5-32.3000112R22 F23 K29 D30R22-P26 WeakPolarHBondContact O-CD 3.37Å; F23-P26 VanDerWaalsContact O-CD 3.29Å; F23-P26 WeakPolarHBondContact O-CD 3.46Å; F23-P26 VanDerWaalsContact O-CG 3.31Å; F23-P26 WeakPolarHBondContact O-CG 3.48Å; P26-K29 PolarHBondContact O-N 2.96Å; P26-D30 WeakPolarHBondContact O-CB 3.33Å; P26-D30 PolarHBondContact O-N 3.22Å
27Y96.7Very high89.7Confident127 Ų127125 Ų12550%0.49857%0.574SS.*Hα-helixtrans-62.2-47.8175.2175-104.6000113.1F23 I24 R25 K29 D30 L31F23-Y27 WeakPolarHBondContact O-CB 3.47Å; F23-Y27 PolarHBondContact O-N 3.04Å; F23-Y27 VanDerWaalsContact O-N 3.14Å; I24-Y27 PolarHBondContact O-N 3.02Å; R25-Y27 VanDerWaalsContact C-N 3.28Å; R25-Y27 PolarHBondContact O-N 3.09Å; Y27-K29 VanDerWaalsContact C-N 3.29Å; Y27-K29 PolarHBondContact O-N 2.84Å; Y27-D30 PolarHBondContact O-N 2.9Å; Y27-L31 HydrophobicContact CD1-CD1 4.12Å; Y27-L31 HydrophobicContact CE1-CD1 3.48Å; Y27-L31 VanDerWaalsContact CE1-CD1 3.48Å; Y27-L31 HydrophobicContact CE1-CG 4.24Å; Y27-L31 HydrophobicContact CE2-CD1 4.41Å; Y27-L31 HydrophobicContact CE2-CG 4.39Å; Y27-L31 WeakPolarHBondContact O-CG 3.36Å; Y27-L31 PolarHBondContact O-N 3.21Å
28L97Very high91.5Very high89 Ų89125.4 Ų125.447%0.46658%0.576SS.*Hα-helixtrans-65-34.6177.2-70.7177.2000112.3I24 R25 L31 Y32I24-L28 HydrophobicContact CG2-CD1 3.72Å; I24-L28 HydrophobicContact CG2-CG 4.13Å; I24-L28 WeakPolarHBondContact O-CB 3.43Å; I24-L28 WeakPolarHBondContact O-CG 3.31Å; I24-L28 PolarHBondContact O-N 3.48Å; R25-L28 PolarHBondContact O-N 3.34Å; L28-L31 HydrophobicContact CD2-CD1 4.42Å; L28-L31 PolarHBondContact O-N 3.21Å; L28-Y32 PolarHBondContact O-N 3.45Å
29K96.9Very high92.7Very high137 Ų137124.2 Ų124.260%0.59657%0.565SS**Hα-helixtrans-65.2-46.6174.8-170-177.4176.7-171.90111.1R25 P26 Y27 L31 Y32 D33R25-K29 PolarHBondContact O-N 3.34Å; P26-K29 PolarHBondContact O-N 2.96Å; Y27-K29 VanDerWaalsContact C-N 3.29Å; Y27-K29 PolarHBondContact O-N 2.84Å; K29-L31 VanDerWaalsContact C-N 3.34Å; K29-L31 PolarHBondContact O-N 3.08Å; K29-Y32 WeakPolarHBondContact O-CB 3.49Å; K29-Y32 PolarHBondContact O-N 3.26Å; K29-Y32 VanDerWaalsContact O-N 3.11Å; K29-D33 VanDerWaalsContact O-CG 3.26Å; K29-D33 PolarHBondContact O-N 3.22Å
30D97.7Very high93.4Very high58 Ų58118.8 Ų118.831%0.3156%0.56SS.*Hα-helixtrans-59.3-42.2174.7171.744000111.8P26 Y27 Y32 D33 R34P26-D30 WeakPolarHBondContact O-CB 3.33Å; P26-D30 PolarHBondContact O-N 3.22Å; Y27-D30 PolarHBondContact O-N 2.9Å; D30-Y32 VanDerWaalsContact C-N 3.33Å; D30-Y32 PolarHBondContact O-N 3.17Å; D30-D33 PolarHBondContact O-N 3.06Å; D30-R34 WeakPolarHBondContact O-CB 3.45Å; D30-R34 VanDerWaalsContact O-CG 3.23Å; D30-R34 WeakPolarHBondContact O-CG 3.47Å; D30-R34 PolarHBondContact O-N 3.49Å; D30-R34 IonicContact OD1-CZ 3.62Å; D30-R34 IonicContact OD1-NE 2.9Å; D30-R34 PolarHBondContact OD1-NE 3.46Å; D30-R34 IonicContact OD1-NH2 2.92Å; D30-R34 PolarHBondContact OD1-NH2 3.26Å; D30-R34 IonicContact OD2-CZ 2.81Å; D30-R34 IonicContact OD2-NE 3.52Å; D30-R34 PolarHBondContact OD2-NE 2.81Å; D30-R34 IonicContact OD2-NH2 2.72Å; D30-R34 PolarHBondContact OD2-NH2 3.49Å
31L97Very high93.6Very high67 Ų67117.3 Ų117.335%0.35156%0.561SS.*Hα-helixtrans-61.2-39.4172.8-73.1-179.6000113.2Y27 L28 K29 R35Y27-L31 HydrophobicContact CD1-CD1 4.12Å; Y27-L31 HydrophobicContact CE1-CD1 3.48Å; Y27-L31 VanDerWaalsContact CE1-CD1 3.48Å; Y27-L31 HydrophobicContact CE1-CG 4.24Å; Y27-L31 HydrophobicContact CE2-CD1 4.41Å; Y27-L31 HydrophobicContact CE2-CG 4.39Å; Y27-L31 WeakPolarHBondContact O-CG 3.36Å; Y27-L31 PolarHBondContact O-N 3.21Å; L28-L31 HydrophobicContact CD2-CD1 4.42Å; L28-L31 PolarHBondContact O-N 3.21Å; K29-L31 VanDerWaalsContact C-N 3.34Å; K29-L31 PolarHBondContact O-N 3.08Å; L31-R35 PolarHBondContact O-N 2.93Å
32Y96.1Very high93.5Very high137 Ų137119.6 Ų119.654%0.53757%0.569SS.*Hα-helixtrans-66.7-44.8176.4176-98.4000111.7L28 K29 D30 R34 R35 L36L28-Y32 PolarHBondContact O-N 3.45Å; K29-Y32 WeakPolarHBondContact O-CB 3.49Å; K29-Y32 PolarHBondContact O-N 3.26Å; K29-Y32 VanDerWaalsContact O-N 3.11Å; D30-Y32 VanDerWaalsContact C-N 3.33Å; D30-Y32 PolarHBondContact O-N 3.17Å; Y32-R34 VanDerWaalsContact C-N 3.3Å; Y32-R34 PolarHBondContact O-N 3.43Å; Y32-R35 WeakPolarHBondContact O-CB 3.25Å; Y32-R35 PolarHBondContact O-N 3.38Å; Y32-R35 VanDerWaalsContact O-N 3.12Å; Y32-L36 HydrophobicContact CD1-CD1 3.94Å; Y32-L36 HydrophobicContact CD1-CG 4.35Å; Y32-L36 HydrophobicContact CE1-CD1 3.27Å; Y32-L36 HydrophobicContact CE1-CG 3.89Å; Y32-L36 HydrophobicContact CE2-CG 4.4Å; Y32-L36 PolarHBondContact O-N 3.19Å
33D97.3Very high93.4Very high76 Ų76110.7 Ų110.741%0.40654%0.536SS..Hα-helixtrans-62.4-39.3178.1-65.1-22.6000110.8K29 D30 L36 A37K29-D33 VanDerWaalsContact O-CG 3.26Å; K29-D33 PolarHBondContact O-N 3.22Å; D30-D33 PolarHBondContact O-N 3.06Å; D33-L36 PolarHBondContact O-N 3.5Å; D33-A37 WeakPolarHBondContact O-CB 3.39Å; D33-A37 PolarHBondContact O-N 3.31Å
34R96.8Very high93.1Very high136 Ų136111 Ų11151%0.51353%0.533SS..Hα-helixtrans-63.1-41.9171.9-70171-166.1-164.81112.7D30 Y32 A37 Q38D30-R34 WeakPolarHBondContact O-CB 3.45Å; D30-R34 VanDerWaalsContact O-CG 3.23Å; D30-R34 WeakPolarHBondContact O-CG 3.47Å; D30-R34 PolarHBondContact O-N 3.49Å; D30-R34 IonicContact OD1-CZ 3.62Å; D30-R34 IonicContact OD1-NE 2.9Å; D30-R34 PolarHBondContact OD1-NE 3.46Å; D30-R34 IonicContact OD1-NH2 2.92Å; D30-R34 PolarHBondContact OD1-NH2 3.26Å; D30-R34 IonicContact OD2-CZ 2.81Å; D30-R34 IonicContact OD2-NE 3.52Å; D30-R34 PolarHBondContact OD2-NE 2.81Å; D30-R34 IonicContact OD2-NH2 2.72Å; D30-R34 PolarHBondContact OD2-NH2 3.49Å; Y32-R34 VanDerWaalsContact C-N 3.3Å; Y32-R34 PolarHBondContact O-N 3.43Å; R34-A37 PolarHBondContact O-N 3.47Å; R34-Q38 WeakPolarHBondContact O-CG 3.19Å; R34-Q38 PolarHBondContact O-N 3.01Å
35R94.6Very high92.8Very high187 Ų187109.4 Ų109.471%0.70653%0.525SS*.Hα-helixtrans-62.9-43.6176.6-179.9178.7178.3155.12111.2L31 Y32 A37 Q38 G39L31-R35 PolarHBondContact O-N 2.93Å; Y32-R35 WeakPolarHBondContact O-CB 3.25Å; Y32-R35 PolarHBondContact O-N 3.38Å; Y32-R35 VanDerWaalsContact O-N 3.12Å; R35-A37 VanDerWaalsContact C-N 3.33Å; R35-A37 PolarHBondContact O-N 3.23Å; R35-Q38 PolarHBondContact O-N 3.43Å; R35-G39 PolarHBondContact O-N 2.82Å
36L94.8Very high92.6Very high103 Ų103104.2 Ų104.254%0.53951%0.506SS..Hα-helixtrans-61.6-41.9174.9-72.9-178.6000111.8Y32 D33 Q38 G39Y32-L36 HydrophobicContact CD1-CD1 3.94Å; Y32-L36 HydrophobicContact CD1-CG 4.35Å; Y32-L36 HydrophobicContact CE1-CD1 3.27Å; Y32-L36 HydrophobicContact CE1-CG 3.89Å; Y32-L36 HydrophobicContact CE2-CG 4.4Å; Y32-L36 PolarHBondContact O-N 3.19Å; D33-L36 PolarHBondContact O-N 3.5Å; L36-Q38 VanDerWaalsContact C-N 3.34Å; L36-Q38 PolarHBondContact O-N 3.27Å; L36-G39 PolarHBondContact O-N 3.37Å
37A95.7Very high92.3Very high91 Ų91105 Ų10575%0.75250%0.501SS*.Hα-helixtrans-65.5-34.5177.700000113.3D33 R34 R35 G39D33-A37 WeakPolarHBondContact O-CB 3.39Å; D33-A37 PolarHBondContact O-N 3.31Å; R34-A37 PolarHBondContact O-N 3.47Å; R35-A37 VanDerWaalsContact C-N 3.33Å; R35-A37 PolarHBondContact O-N 3.23Å; A37-G39 VanDerWaalsContact C-N 3.3Å
38Q91.6Very high91.9Very high166 Ų166102.8 Ų102.878%0.77650%0.498SS*.Hα-helixtrans-72.3-23.3175.6-74.6178-13.200113.1R34 R35 L36R34-Q38 WeakPolarHBondContact O-CG 3.19Å; R34-Q38 PolarHBondContact O-N 3.01Å; R35-Q38 PolarHBondContact O-N 3.43Å; L36-Q38 VanDerWaalsContact C-N 3.34Å; L36-Q38 PolarHBondContact O-N 3.27Å
39G90.6Very high91.6Very high33 Ų33105.6 Ų105.634%0.3450%0.503SS..  trans81-169.1-17600000113.2R35 L36 A37R35-G39 PolarHBondContact O-N 2.82Å; L36-G39 PolarHBondContact O-N 3.37Å; A37-G39 VanDerWaalsContact C-N 3.3Å
40P87.3Confident91.2Very high126 Ų126107.8 Ų107.882%0.81852%0.52SS*.SBendtrans-63.4149.8173.828.3-33.7000110.6I42P40-I42 PolarHBondContact O-N 3.03Å
41E83.3Confident90.9Very high153 Ų153110 Ų11072%0.71554%0.538SS*.PPolyproline II helixtrans-61.7133.8174.2-173.2165.4-166.500110R44E41-R44 IonicContact OE1-CZ 3.51Å; E41-R44 IonicContact OE1-NE 2.65Å; E41-R44 IonicContact OE1-NH2 3.27Å
42I84Confident90.6Very high110 Ų110109.1 Ų109.156%0.56453%0.53SS*.PPolyproline II helixtrans-62.8139.2177.2-55.2168.6000108.1P40 R44P40-I42 PolarHBondContact O-N 3.03Å; I42-R44 PolarHBondContact O-N 3.44Å
43Y86.7Confident90.5Very high55 Ų55106.7 Ų106.722%0.21653%0.527CS..PPolyproline II helixtrans-57.7126.9172.7175.3-105.3000110P45 I173 S174 A175 P176Y43-P45 HydrophobicContact CE1-CB 4.23Å; Y43-I173 HydrophobicContact CD1-CG2 4Å; Y43-I173 HydrophobicContact CE1-CG2 3.88Å; Y43-S174 VanDerWaalsContact CB-O 3.31Å; Y43-S174 WeakPolarHBondContact CB-O 3.47Å; Y43-A175 WeakPolarHBondContact CD1-O 3.49Å; Y43-A175 VanDerWaalsContact CE1-O 3.28Å; Y43-A175 WeakPolarHBondContact CE1-O 3.48Å; Y43-P176 HydrophobicContact CE2-CB 4.05Å
44R87.1Confident90.4Very high144 Ų144105.8 Ų105.854%0.54352%0.518SS..  trans-111.4115.3173.5-64.2-176.5-168.2171.28.5108.5E41 I42E41-R44 IonicContact OE1-CZ 3.51Å; E41-R44 IonicContact OE1-NE 2.65Å; E41-R44 IonicContact OE1-NH2 3.27Å; I42-R44 PolarHBondContact O-N 3.44Å
45P88.3Confident90.2Very high10 Ų10103.9 Ų103.97%0.06552%0.518CS..  trans-61.1153.9169.329.8-38.6000109.7Y43 K47 D48 I173Y43-P45 HydrophobicContact CE1-CB 4.23Å; P45-K47 HydrophobicContact CB-CG 4.05Å; P45-K47 HydrophobicContact CG-CD 4.34Å; P45-K47 HydrophobicContact CG-CG 3.86Å; P45-K47 PolarHBondContact O-N 3.47Å; P45-D48 WeakPolarHBondContact CD-OD2 3.29Å; P45-D48 WeakPolarHBondContact O-CB 3.41Å; P45-D48 PolarHBondContact O-N 3.31Å; P45-I173 HydrophobicContact CB-CD1 4.33Å; P45-I173 HydrophobicContact CG-CB 4.09Å; P45-I173 HydrophobicContact CG-CD1 4.13Å; P45-I173 HydrophobicContact CG-CG1 4.49Å
46R89.5Confident90.2Very high103 Ų10397.5 Ų97.539%0.38950%0.502SS..G310 helixtrans-59.7-25.6-175.1-175.861.2-173.9-110.2-17.1113.2D48 W49 W52 E57 D157R46-D48 PolarHBondContact O-N 2.88Å; R46-W49 VanDerWaalsContact O-CD1 3.32Å; R46-W49 PolarHBondContact O-N 3.43Å; R46-W52 HydrophobicContact CB-CE3 4.2Å; R46-W52 HydrophobicContact CB-CH2 4.06Å; R46-W52 HydrophobicContact CB-CZ3 3.73Å; R46-W52 HydrophobicContact CG-CE3 3.41Å; R46-W52 VanDerWaalsContact CG-CE3 3.41Å; R46-W52 HydrophobicContact CG-CH2 3.85Å; R46-W52 HydrophobicContact CG-CZ3 3.03Å; R46-E57 IonicContact NH2-OE1 2.64Å; R46-E57 PolarHBondContact NH2-OE1 3.43Å; R46-D157 HydrophobicContact CB-CB 3.88Å; R46-D157 HydrophobicContact CG-CB 4.25Å
47K89Confident90.2Very high96 Ų9694.3 Ų94.342%0.41748%0.484SS..G310 helixtrans-61.8-19.7174.271.4-177.6-177.1-179.80116P45 W49 W52 I173P45-K47 HydrophobicContact CB-CG 4.05Å; P45-K47 HydrophobicContact CG-CD 4.34Å; P45-K47 HydrophobicContact CG-CG 3.86Å; P45-K47 PolarHBondContact O-N 3.47Å; K47-W49 PolarHBondContact O-N 3.3Å; K47-W52 HydrophobicContact CB-CD2 4.33Å; K47-W52 HydrophobicContact CB-CG 4.29Å; K47-W52 HydrophobicContact CB-CZ2 4.35Å; K47-I173 VanDerWaalsContact NZ-CD1 3.25Å
48D88.5Confident90.2Very high82 Ų8290.8 Ų90.844%0.43945%0.452SS..G310 helixtrans-78.1-10-178-69.6-1.5000112.6P45 R46P45-D48 WeakPolarHBondContact CD-OD2 3.29Å; P45-D48 WeakPolarHBondContact O-CB 3.41Å; P45-D48 PolarHBondContact O-N 3.31Å; R46-D48 PolarHBondContact O-N 2.88Å
49W90.1Very high90.3Very high148 Ų14886.2 Ų86.256%0.56144%0.439SS*.SBendtrans-81.2136.4-179.6-67.879.5000111.4R46 K47 C51 W52R46-W49 VanDerWaalsContact O-CD1 3.32Å; R46-W49 PolarHBondContact O-N 3.43Å; K47-W49 PolarHBondContact O-N 3.3Å; W49-C51 PolarHBondContact O-N 2.65Å; W49-C51 VanDerWaalsContact O-N 3.11Å; W49-W52 WeakPolarHBondContact O-CB 3.37Å; W49-W52 PolarHBondContact O-N 2.92Å
50L90.1Very high90.4Very high182 Ų18286.4 Ų86.495%0.95344%0.437SS*.THydrogen-bonded Turntrans-57.8-30.3-173.7-176.762.7000114.5W52L50-W52 PolarHBondContact O-N 3.04Å
51C89.6Confident90.8Very high104 Ų10480.5 Ų80.570%0.70340%0.399SS*.THydrogen-bonded Turntrans-81.82.2178.655.30000113.9W49 N53W49-C51 PolarHBondContact O-N 2.65Å; W49-C51 VanDerWaalsContact O-N 3.11Å; C51-N53 PolarHBondContact O-N 3.41Å
52W91.1Very high91.3Very high49 Ų4974.6 Ų74.619%0.18637%0.372CS..  trans-71.9122.8-177.1-177.5-97.5000111.7R46 K47 W49 L50 E57 D157 I158R46-W52 HydrophobicContact CB-CE3 4.2Å; R46-W52 HydrophobicContact CB-CH2 4.06Å; R46-W52 HydrophobicContact CB-CZ3 3.73Å; R46-W52 HydrophobicContact CG-CE3 3.41Å; R46-W52 VanDerWaalsContact CG-CE3 3.41Å; R46-W52 HydrophobicContact CG-CH2 3.85Å; R46-W52 HydrophobicContact CG-CZ3 3.03Å; K47-W52 HydrophobicContact CB-CD2 4.33Å; K47-W52 HydrophobicContact CB-CG 4.29Å; K47-W52 HydrophobicContact CB-CZ2 4.35Å; W49-W52 WeakPolarHBondContact O-CB 3.37Å; W49-W52 PolarHBondContact O-N 2.92Å; L50-W52 PolarHBondContact O-N 3.04Å; W52-E57 HydrophobicContact CD2-CG 4.09Å; W52-E57 HydrophobicContact CE3-CG 3.6Å; W52-E57 HydrophobicContact CH2-CB 4.12Å; W52-E57 HydrophobicContact CH2-CG 3.88Å; W52-E57 HydrophobicContact CZ2-CB 4.44Å; W52-E57 HydrophobicContact CZ2-CG 4.31Å; W52-E57 HydrophobicContact CZ3-CB 4.16Å; W52-E57 HydrophobicContact CZ3-CG 3.43Å; W52-E57 VanDerWaalsContact CZ3-CG 3.43Å; W52-E57 WeakPolarHBondContact CZ3-OE1 3.46Å; W52-D157 HydrophobicContact CH2-CB 4.43Å; W52-D157 WeakPolarHBondContact CH2-O 3.23Å; W52-I158 HydrophobicContact CH2-CG1 4.33Å
53N94.9Very high91.8Very high86 Ų8673.7 Ų73.746%0.4638%0.376SS..  trans-129.4120.2169.2172.86.6000108.9C51 D55 S56 E57C51-N53 PolarHBondContact O-N 3.41Å; N53-D55 VanDerWaalsContact C-N 3.33Å; N53-D55 PolarHBondContact O-N 3.34Å; N53-D55 PolarHBondContact OD1-N 2.89Å; N53-S56 VanDerWaalsContact CB-OG 3.29Å; N53-S56 WeakPolarHBondContact CB-OG 3.3Å; N53-S56 PolarHBondContact O-N 2.93Å; N53-S56 PolarHBondContact O-OG 2.99Å; N53-E57 VanDerWaalsContact O-CG 3.24Å; N53-E57 WeakPolarHBondContact O-CG 3.42Å; N53-E57 PolarHBondContact O-N 2.82Å
54R93.9Very high92.2Very high58 Ų5877.4 Ų77.422%0.21939%0.389CS..Hα-helixtrans-60-41.6-174.6-175.2172.7177.976.4-0.2112S56 E57 L58 L160R54-S56 PolarHBondContact O-N 3.44Å; R54-E57 PolarHBondContact O-N 2.84Å; R54-L58 HydrophobicContact CG-CD1 3.91Å; R54-L58 HydrophobicContact CG-CG 4.27Å; R54-L58 WeakPolarHBondContact O-CB 3.19Å; R54-L58 VanDerWaalsContact O-CG 3.26Å; R54-L58 WeakPolarHBondContact O-CG 3.48Å; R54-L58 PolarHBondContact O-N 3.21Å; R54-L160 VanDerWaalsContact NH2-CD1 3.31Å
55D94.3Very high92.4Very high96 Ų9671.5 Ų71.551%0.51337%0.368SS..Hα-helixtrans-67.7-38.1-177.5-68.1-13.4000112.3N53 S59N53-D55 VanDerWaalsContact C-N 3.33Å; N53-D55 PolarHBondContact O-N 3.34Å; N53-D55 PolarHBondContact OD1-N 2.89Å; D55-S59 WeakPolarHBondContact O-CB 3.24Å; D55-S59 PolarHBondContact O-N 2.79Å; D55-S59 PolarHBondContact O-OG 3.31Å
56S94.2Very high92.6Very high53 Ų5373.9 Ų73.937%0.37139%0.394SS..Hα-helixtrans-70.2-37.7176.454.60000111.7N53 R54 S59 A60N53-S56 VanDerWaalsContact CB-OG 3.29Å; N53-S56 WeakPolarHBondContact CB-OG 3.3Å; N53-S56 PolarHBondContact O-N 2.93Å; N53-S56 PolarHBondContact O-OG 2.99Å; R54-S56 PolarHBondContact O-N 3.44Å; S56-S59 WeakPolarHBondContact CA-OG 3.47Å; S56-S59 PolarHBondContact O-N 2.82Å; S56-S59 PolarHBondContact O-OG 3Å; S56-A60 VanDerWaalsContact O-CB 3.26Å; S56-A60 WeakPolarHBondContact O-CB 3.28Å; S56-A60 PolarHBondContact O-N 3.39Å
57E94.4Very high92.6Very high36 Ų3671 Ų7117%0.16839%0.385CS..Hα-helixtrans-70.9-40179.2-65.7-78.8-17600110.8R46 W52 N53 R54 A60 F61R46-E57 IonicContact NH2-OE1 2.64Å; R46-E57 PolarHBondContact NH2-OE1 3.43Å; W52-E57 HydrophobicContact CD2-CG 4.09Å; W52-E57 HydrophobicContact CE3-CG 3.6Å; W52-E57 HydrophobicContact CH2-CB 4.12Å; W52-E57 HydrophobicContact CH2-CG 3.88Å; W52-E57 HydrophobicContact CZ2-CB 4.44Å; W52-E57 HydrophobicContact CZ2-CG 4.31Å; W52-E57 HydrophobicContact CZ3-CB 4.16Å; W52-E57 HydrophobicContact CZ3-CG 3.43Å; W52-E57 VanDerWaalsContact CZ3-CG 3.43Å; W52-E57 WeakPolarHBondContact CZ3-OE1 3.46Å; N53-E57 VanDerWaalsContact O-CG 3.24Å; N53-E57 WeakPolarHBondContact O-CG 3.42Å; N53-E57 PolarHBondContact O-N 2.82Å; R54-E57 PolarHBondContact O-N 2.84Å; E57-A60 PolarHBondContact O-N 3.42Å; E57-F61 VanDerWaalsContact O-CB 3.3Å; E57-F61 WeakPolarHBondContact O-CB 3.34Å; E57-F61 PolarHBondContact O-N 3Å
58L94.8Very high92.6Very high16 Ų1675.3 Ų75.38%0.08440%0.404CS..Hα-helixtrans-62.6-44.2172.6-70.8173.6000112.2R54 F61 L62 I74 E75 L78 I158R54-L58 HydrophobicContact CG-CD1 3.91Å; R54-L58 HydrophobicContact CG-CG 4.27Å; R54-L58 WeakPolarHBondContact O-CB 3.19Å; R54-L58 VanDerWaalsContact O-CG 3.26Å; R54-L58 WeakPolarHBondContact O-CG 3.48Å; R54-L58 PolarHBondContact O-N 3.21Å; L58-F61 WeakPolarHBondContact O-CB 3.08Å; L58-F61 PolarHBondContact O-N 2.93Å; L58-L62 WeakPolarHBondContact O-CG 3.47Å; L58-L62 PolarHBondContact O-N 3.41Å; L58-I74 HydrophobicContact CD2-CG2 3.91Å; L58-E75 HydrophobicContact CD1-CG 4.47Å; L58-L78 HydrophobicContact CD2-CD1 3.34Å; L58-I158 HydrophobicContact CD2-CG2 3.62Å; L58-I158 HydrophobicContact CG-CG2 4.38Å
59S93.7Very high92.8Very high70 Ų7072.3 Ų72.349%0.4939%0.388SS..Hα-helixtrans-67.7-36.6177.5590000112.9D55 S56 F61 S63D55-S59 WeakPolarHBondContact O-CB 3.24Å; D55-S59 PolarHBondContact O-N 2.79Å; D55-S59 PolarHBondContact O-OG 3.31Å; S56-S59 WeakPolarHBondContact CA-OG 3.47Å; S56-S59 PolarHBondContact O-N 2.82Å; S56-S59 PolarHBondContact O-OG 3Å; S59-F61 VanDerWaalsContact C-N 3.35Å; S59-S63 PolarHBondContact O-N 3.45Å; S59-S63 PolarHBondContact O-OG 2.82Å
60A94.2Very high92.9Very high38 Ų3871 Ų7131%0.31439%0.388SS..Hα-helixtrans-67.5-34.4172.900000112.5S56 E57 S63 R64S56-A60 VanDerWaalsContact O-CB 3.26Å; S56-A60 WeakPolarHBondContact O-CB 3.28Å; S56-A60 PolarHBondContact O-N 3.39Å; E57-A60 PolarHBondContact O-N 3.42Å; A60-S63 WeakPolarHBondContact CA-OG 3.41Å; A60-S63 PolarHBondContact O-OG 2.85Å; A60-R64 WeakPolarHBondContact O-CB 3.35Å; A60-R64 PolarHBondContact O-N 2.86Å
61F94.9Very high92.8Very high1 Ų169.4 Ų69.40%0.00437%0.374CS..Hα-helixtrans-66.6-46.4174.7173.8-107.2000112.1E57 L58 S59 S63 R64 I65 I155 I158 L189E57-F61 VanDerWaalsContact O-CB 3.3Å; E57-F61 WeakPolarHBondContact O-CB 3.34Å; E57-F61 PolarHBondContact O-N 3Å; L58-F61 WeakPolarHBondContact O-CB 3.08Å; L58-F61 PolarHBondContact O-N 2.93Å; S59-F61 VanDerWaalsContact C-N 3.35Å; F61-S63 VanDerWaalsContact C-N 3.34Å; F61-S63 PolarHBondContact O-N 2.81Å; F61-R64 WeakPolarHBondContact O-CB 3.22Å; F61-R64 PolarHBondContact O-N 3.04Å; F61-I65 HydrophobicContact CD1-CD1 4.06Å; F61-I65 HydrophobicContact CD2-CD1 4.07Å; F61-I65 HydrophobicContact CE1-CD1 3.47Å; F61-I65 VanDerWaalsContact CE1-CD1 3.47Å; F61-I65 HydrophobicContact CE2-CD1 3.47Å; F61-I65 VanDerWaalsContact CE2-CD1 3.47Å; F61-I65 HydrophobicContact CE2-CG1 4.38Å; F61-I65 HydrophobicContact CG-CD1 4.34Å; F61-I65 HydrophobicContact CZ-CD1 3.15Å; F61-I65 HydrophobicContact CZ-CG1 4.44Å; F61-I65 PolarHBondContact O-N 3.05Å; F61-I65 VanDerWaalsContact O-N 3.11Å; F61-I155 HydrophobicContact CE2-CG1 3.6Å; F61-I155 HydrophobicContact CZ-CD1 4.24Å; F61-I155 HydrophobicContact CZ-CG1 3.66Å; F61-I158 HydrophobicContact CB-CD1 3.52Å; F61-I158 HydrophobicContact CD2-CD1 4.04Å; F61-I158 HydrophobicContact CG-CD1 3.85Å; F61-L189 HydrophobicContact CZ-CD2 4.38Å
62L94.5Very high92.9Very high29 Ų2969.6 Ų69.615%0.15237%0.367CS..Hα-helixtrans-61.3-42.2175.2-70.3178.6000112.4L58 R64 I65 G66 E67 L69 I74L58-L62 WeakPolarHBondContact O-CG 3.47Å; L58-L62 PolarHBondContact O-N 3.41Å; L62-R64 VanDerWaalsContact C-N 3.28Å; L62-R64 PolarHBondContact O-N 2.81Å; L62-I65 PolarHBondContact O-N 3.33Å; L62-G66 PolarHBondContact O-N 3.22Å; L62-E67 PolarHBondContact O-N 3.43Å; L62-L69 HydrophobicContact CD2-CB 4.13Å; L62-L69 HydrophobicContact CD2-CD1 4.42Å; L62-I74 HydrophobicContact CD1-CD1 3.37Å; L62-I74 HydrophobicContact CD2-CD1 3.52Å; L62-I74 HydrophobicContact CD2-CG1 4.04Å; L62-I74 HydrophobicContact CG-CD1 3.77Å
63S94.5Very high93.1Very high92 Ų9271 Ų7164%0.64338%0.378SS*.Hα-helixtrans-67.3-29.8178.267.30000112.8S59 A60 F61S59-S63 PolarHBondContact O-N 3.45Å; S59-S63 PolarHBondContact O-OG 2.82Å; A60-S63 WeakPolarHBondContact CA-OG 3.41Å; A60-S63 PolarHBondContact O-OG 2.85Å; F61-S63 VanDerWaalsContact C-N 3.34Å; F61-S63 PolarHBondContact O-N 2.81Å
64R94.1Very high93.1Very high133 Ų13367 Ų6750%0.50236%0.357SS..Hα-helixtrans-67.3-44.5173.2-176-172.7-58.9133.96.9112.4A60 F61 L62 G66 L153A60-R64 WeakPolarHBondContact O-CB 3.35Å; A60-R64 PolarHBondContact O-N 2.86Å; F61-R64 WeakPolarHBondContact O-CB 3.22Å; F61-R64 PolarHBondContact O-N 3.04Å; L62-R64 VanDerWaalsContact C-N 3.28Å; L62-R64 PolarHBondContact O-N 2.81Å; R64-G66 VanDerWaalsContact C-N 3.3Å; R64-L153 WeakPolarHBondContact CD-O 3.44Å; R64-L153 PolarHBondContact NH1-O 3.39Å
65I92.4Very high93.1Very high19 Ų1968.2 Ų68.210%0.09737%0.365CS..Hα-helixtrans-73.3-27.9177.8-68162000111.1F61 L62 E67 L153 L189 F204F61-I65 HydrophobicContact CD1-CD1 4.06Å; F61-I65 HydrophobicContact CD2-CD1 4.07Å; F61-I65 HydrophobicContact CE1-CD1 3.47Å; F61-I65 VanDerWaalsContact CE1-CD1 3.47Å; F61-I65 HydrophobicContact CE2-CD1 3.47Å; F61-I65 VanDerWaalsContact CE2-CD1 3.47Å; F61-I65 HydrophobicContact CE2-CG1 4.38Å; F61-I65 HydrophobicContact CG-CD1 4.34Å; F61-I65 HydrophobicContact CZ-CD1 3.15Å; F61-I65 HydrophobicContact CZ-CG1 4.44Å; F61-I65 PolarHBondContact O-N 3.05Å; F61-I65 VanDerWaalsContact O-N 3.11Å; L62-I65 PolarHBondContact O-N 3.33Å; I65-E67 HydrophobicContact CG2-CB 3.98Å; I65-E67 HydrophobicContact CG2-CG 3.76Å; I65-L153 HydrophobicContact CG1-CD2 4.42Å; I65-L189 HydrophobicContact CD1-CD2 3.74Å; I65-F204 HydrophobicContact CG2-CD2 4.09Å; I65-F204 HydrophobicContact CG2-CE2 3.75Å
66G91.5Very high93.2Very high60 Ų6064.8 Ų64.862%0.61935%0.347SS*.THydrogen-bonded Turntrans85.110.7-17700000113.6L62 R64L62-G66 PolarHBondContact O-N 3.22Å; R64-G66 VanDerWaalsContact C-N 3.3Å
67E89Confident93.3Very high42 Ų4262.3 Ų62.320%0.19633%0.33CS..  trans-105.3146.6-176.7-73.1-66.4170.900112.4L62 I65 L193 K200L62-E67 PolarHBondContact O-N 3.43Å; I65-E67 HydrophobicContact CG2-CB 3.98Å; I65-E67 HydrophobicContact CG2-CG 3.76Å; E67-L193 HydrophobicContact CB-CD2 4.08Å; E67-L193 HydrophobicContact CG-CD1 4.48Å; E67-L193 HydrophobicContact CG-CD2 3.77Å; E67-K200 IonicContact OE2-NZ 2.53Å
68K90.4Very high93.4Very high187 Ų18760.6 Ų60.681%0.81332%0.322SS*.  trans-107.4100.5176.8-65.4-178.6-176.8176.90109.1
69L91.4Very high93.4Very high20 Ų2060.3 Ų60.311%0.10532%0.321CS..  trans-111.4152.9175.5-68.5174000110.6L62 I74 L189 L193L62-L69 HydrophobicContact CD2-CB 4.13Å; L62-L69 HydrophobicContact CD2-CD1 4.42Å; L69-I74 HydrophobicContact CB-CD1 3.65Å; L69-I74 HydrophobicContact CB-CG1 3.46Å; L69-I74 VanDerWaalsContact CB-CG1 3.46Å; L69-I74 HydrophobicContact CD1-CG1 4.1Å; L69-I74 HydrophobicContact CG-CG1 4.44Å; L69-L189 HydrophobicContact CD1-CD1 3.65Å; L69-L193 HydrophobicContact CD1-CD2 4.33Å; L69-L193 HydrophobicContact CD2-CD2 3.97Å; L69-L193 HydrophobicContact CG-CD2 4.31Å
70E92.1Very high93.4Very high119 Ų11957.7 Ų57.756%0.55630%0.302SS*.  trans-65.8140173.2-176.7172.9-160.100110.4D72 L73 I74E70-D72 VanDerWaalsContact C-N 3.32Å; E70-D72 HydrophobicContact CG-CB 4.47Å; E70-D72 PolarHBondContact O-N 2.88Å; E70-L73 HydrophobicContact CB-CB 4.27Å; E70-L73 HydrophobicContact CB-CD1 3.95Å; E70-L73 HydrophobicContact CB-CG 4.02Å; E70-L73 PolarHBondContact O-N 2.84Å; E70-I74 VanDerWaalsContact O-CD1 3.31Å; E70-I74 WeakPolarHBondContact O-CD1 3.36Å; E70-I74 VanDerWaalsContact O-CG1 3.29Å; E70-I74 WeakPolarHBondContact O-CG1 3.42Å; E70-I74 PolarHBondContact O-N 2.99Å
71K89.8Confident93.3Very high150 Ų15064 Ų6465%0.65232%0.317SS*.Hα-helixtrans-55.4-47.8-176.8-68-173.7177.9-173.50111.8L73 I74 E75K71-L73 VanDerWaalsContact C-N 3.33Å; K71-L73 PolarHBondContact O-N 3.35Å; K71-I74 PolarHBondContact O-N 3.17Å; K71-E75 PolarHBondContact O-N 2.88Å; K71-E75 VanDerWaalsContact O-N 3.08Å
72D91.9Very high93.1Very high107 Ų10765.2 Ų65.257%0.57233%0.326SS*.Hα-helixtrans-61.7-41.7-179-63.79.9000111.2E70 I74 E75 V76E70-D72 VanDerWaalsContact C-N 3.32Å; E70-D72 HydrophobicContact CG-CB 4.47Å; E70-D72 PolarHBondContact O-N 2.88Å; D72-I74 PolarHBondContact O-N 2.78Å; D72-E75 PolarHBondContact O-N 2.84Å; D72-V76 WeakPolarHBondContact O-CG2 3.26Å; D72-V76 PolarHBondContact O-N 3.22Å
73L94.3Very high92.9Very high78 Ų7866.3 Ų66.341%0.40833%0.328SS..Hα-helixtrans-64.9-40.1177.5-66.7179.2000112.4E70 K71 E75 V76 V77E70-L73 HydrophobicContact CB-CB 4.27Å; E70-L73 HydrophobicContact CB-CD1 3.95Å; E70-L73 HydrophobicContact CB-CG 4.02Å; E70-L73 PolarHBondContact O-N 2.84Å; K71-L73 VanDerWaalsContact C-N 3.33Å; K71-L73 PolarHBondContact O-N 3.35Å; L73-E75 VanDerWaalsContact C-N 3.32Å; L73-E75 PolarHBondContact O-N 3.23Å; L73-V76 PolarHBondContact O-N 3.42Å; L73-V77 WeakPolarHBondContact O-CG2 3.45Å; L73-V77 PolarHBondContact O-N 3Å
74I94.9Very high92.7Very high4 Ų462.1 Ų62.12%0.02130%0.299CS..Hα-helixtrans-67.5-36.6179.2-60.3151.7000110.9L58 L62 L69 E70 K71 D72 V76 V77 L78L58-I74 HydrophobicContact CD2-CG2 3.91Å; L62-I74 HydrophobicContact CD1-CD1 3.37Å; L62-I74 HydrophobicContact CD2-CD1 3.52Å; L62-I74 HydrophobicContact CD2-CG1 4.04Å; L62-I74 HydrophobicContact CG-CD1 3.77Å; L69-I74 HydrophobicContact CB-CD1 3.65Å; L69-I74 HydrophobicContact CB-CG1 3.46Å; L69-I74 VanDerWaalsContact CB-CG1 3.46Å; L69-I74 HydrophobicContact CD1-CG1 4.1Å; L69-I74 HydrophobicContact CG-CG1 4.44Å; E70-I74 VanDerWaalsContact O-CD1 3.31Å; E70-I74 WeakPolarHBondContact O-CD1 3.36Å; E70-I74 VanDerWaalsContact O-CG1 3.29Å; E70-I74 WeakPolarHBondContact O-CG1 3.42Å; E70-I74 PolarHBondContact O-N 2.99Å; K71-I74 PolarHBondContact O-N 3.17Å; D72-I74 PolarHBondContact O-N 2.78Å; I74-V76 VanDerWaalsContact C-N 3.28Å; I74-V76 PolarHBondContact O-N 3.16Å; I74-V77 PolarHBondContact O-N 2.93Å; I74-L78 HydrophobicContact CG2-CD1 3.71Å; I74-L78 HydrophobicContact CG2-CG 4.31Å; I74-L78 WeakPolarHBondContact O-CG 3.25Å; I74-L78 PolarHBondContact O-N 2.97Å
75E94.3Very high92.4Very high83 Ų8357.9 Ų57.939%0.38829%0.29SS..Hα-helixtrans-59.2-43.6174.1-70.4-168156.800111L58 K71 D72 L73 L78 T79L58-E75 HydrophobicContact CD1-CG 4.47Å; K71-E75 PolarHBondContact O-N 2.88Å; K71-E75 VanDerWaalsContact O-N 3.08Å; D72-E75 PolarHBondContact O-N 2.84Å; L73-E75 VanDerWaalsContact C-N 3.32Å; L73-E75 PolarHBondContact O-N 3.23Å; E75-L78 PolarHBondContact O-N 2.8Å; E75-T79 VanDerWaalsContact O-CG2 3.31Å; E75-T79 WeakPolarHBondContact O-CG2 3.2Å; E75-T79 PolarHBondContact O-N 3.36Å; E75-T79 VanDerWaalsContact O-N 3.1Å; E75-T79 PolarHBondContact O-OG1 3.05Å
76V95.4Very high92Very high23 Ų2358.9 Ų58.914%0.13929%0.293CS..Hα-helixtrans-65.6-38.2175.9-178.50000112.3D72 L73 I74 L78 T79 Q100 N102 L105D72-V76 WeakPolarHBondContact O-CG2 3.26Å; D72-V76 PolarHBondContact O-N 3.22Å; L73-V76 PolarHBondContact O-N 3.42Å; I74-V76 VanDerWaalsContact C-N 3.28Å; I74-V76 PolarHBondContact O-N 3.16Å; V76-L78 VanDerWaalsContact C-N 3.28Å; V76-L78 PolarHBondContact O-N 3.41Å; V76-T79 WeakPolarHBondContact CA-OG1 3.22Å; V76-T79 PolarHBondContact O-N 3.26Å; V76-T79 PolarHBondContact O-OG1 2.99Å; V76-Q100 HydrophobicContact CG1-CB 3.89Å; V76-Q100 HydrophobicContact CG2-CB 3.91Å; V76-N102 VanDerWaalsContact O-CB 3.31Å; V76-N102 WeakPolarHBondContact O-CB 3.43Å; V76-L105 HydrophobicContact CG1-CD1 4.06Å
77V97Very high91.6Very high1 Ų159.9 Ų59.91%0.00628%0.279CS..Hα-helixtrans-61.6-38.8176.5166.90000111.6L73 I74 N102 L105 A188 L189 A192L73-V77 WeakPolarHBondContact O-CG2 3.45Å; L73-V77 PolarHBondContact O-N 3Å; I74-V77 PolarHBondContact O-N 2.93Å; V77-N102 WeakPolarHBondContact O-CB 3.22Å; V77-N102 PolarHBondContact O-ND2 3.45Å; V77-L105 HydrophobicContact CG2-CD1 3.78Å; V77-A188 HydrophobicContact CG1-CB 4.11Å; V77-L189 HydrophobicContact CG1-CB 3.87Å; V77-L189 HydrophobicContact CG1-CD1 4.3Å; V77-A192 HydrophobicContact CG2-CB 3.52Å
78L96.1Very high91.2Very high1 Ų160.6 Ų60.61%0.00529%0.289CS..Hα-helixtrans-90.9-3.6-175.2-63.8172.3000113.6L58 I74 E75 V76 I158 V159 L160L58-L78 HydrophobicContact CD2-CD1 3.34Å; I74-L78 HydrophobicContact CG2-CD1 3.71Å; I74-L78 HydrophobicContact CG2-CG 4.31Å; I74-L78 WeakPolarHBondContact O-CG 3.25Å; I74-L78 PolarHBondContact O-N 2.97Å; E75-L78 PolarHBondContact O-N 2.8Å; V76-L78 VanDerWaalsContact C-N 3.28Å; V76-L78 PolarHBondContact O-N 3.41Å; L78-I158 HydrophobicContact CD1-CB 4.36Å; L78-I158 HydrophobicContact CD1-CG2 3.66Å; L78-V159 HydrophobicContact CD2-CG2 3.85Å; L78-L160 PolarHBondContact O-N 3.09Å
79T95.1Very high90.6Very high10 Ų1055.2 Ų55.26%0.06127%0.271CS..BIsolated β-bridgetrans-90.9110.2172.945.10000111.3E75 V76 Y83 I99 Q100 N102 L160E75-T79 VanDerWaalsContact O-CG2 3.31Å; E75-T79 WeakPolarHBondContact O-CG2 3.2Å; E75-T79 PolarHBondContact O-N 3.36Å; E75-T79 VanDerWaalsContact O-N 3.1Å; E75-T79 PolarHBondContact O-OG1 3.05Å; V76-T79 WeakPolarHBondContact CA-OG1 3.22Å; V76-T79 PolarHBondContact O-N 3.26Å; V76-T79 PolarHBondContact O-OG1 2.99Å; T79-Y83 HydrophobicContact CG2-CD1 4.34Å; T79-I99 HydrophobicContact CG2-CG2 4.4Å; T79-Q100 PolarHBondContact OG1-O 2.84Å; T79-N102 VanDerWaalsContact O-CB 3.24Å; T79-N102 WeakPolarHBondContact O-CB 3.32Å; T79-N102 PolarHBondContact O-N 3.05Å; T79-N102 PolarHBondContact O-ND2 3.42Å; T79-N102 PolarHBondContact O-OD1 3.41Å; T79-L160 HydrophobicContact CG2-CB 4.32Å; T79-L160 HydrophobicContact CG2-CD1 3.77Å
80D94.4Very high89.8Confident15 Ų1558.1 Ų58.18%0.0828%0.283CS..  trans-75.9156.4174.2-177.549.7000112.3S82 Y83 S84 L160 V181D80-S82 PolarHBondContact O-N 2.98Å; D80-S82 WeakPolarHBondContact OD2-CB 3.37Å; D80-S82 PolarHBondContact OD2-N 3.12Å; D80-S82 VanDerWaalsContact OD2-N 3.11Å; D80-S82 PolarHBondContact OD2-OG 3.43Å; D80-Y83 WeakPolarHBondContact O-CB 3.24Å; D80-Y83 PolarHBondContact O-N 3.23Å; D80-S84 PolarHBondContact O-N 3.28Å; D80-L160 WeakPolarHBondContact CB-O 3.17Å; D80-L160 PolarHBondContact N-O 3.11Å; D80-V181 HydrophobicContact CB-CG1 4.02Å
81R92Very high88.8Confident170 Ų17055.4 Ų55.464%0.64227%0.269SS*.Hα-helixtrans-55-38.7174.8-179.2-177.8177.5-172.80.1112.3Y83 S84 S85R81-Y83 PolarHBondContact O-N 2.84Å; R81-S84 PolarHBondContact O-N 3.47Å; R81-S85 WeakPolarHBondContact O-CB 3.38Å; R81-S85 PolarHBondContact O-N 3.34Å; R81-S85 PolarHBondContact O-OG 3.34Å
82S89.6Confident87.5Confident27 Ų2752.5 Ų52.519%0.18927%0.274CS..Hα-helixtrans-57.7-49.3178.663.70000111.2D80 S84 S85 F86 S162D80-S82 PolarHBondContact O-N 2.98Å; D80-S82 WeakPolarHBondContact OD2-CB 3.37Å; D80-S82 PolarHBondContact OD2-N 3.12Å; D80-S82 VanDerWaalsContact OD2-N 3.11Å; D80-S82 PolarHBondContact OD2-OG 3.43Å; S82-S84 PolarHBondContact O-N 3.23Å; S82-S85 PolarHBondContact O-N 3.16Å; S82-S85 PolarHBondContact O-OG 3.42Å; S82-F86 PolarHBondContact O-N 3.2Å; S82-S162 VanDerWaalsContact CB-OG 3.32Å; S82-S162 WeakPolarHBondContact CB-OG 3.35Å; S82-S162 PolarHBondContact O-OG 2.86Å; S82-S162 VanDerWaalsContact O-OG 3.13Å; S82-S162 PolarHBondContact OG-N 3.3Å; S82-S162 VanDerWaalsContact OG-N 3.14Å
83Y90.6Very high86.2Confident51 Ų5155.6 Ų55.620%0.229%0.285CS..Hα-helixtrans-60.8-47.7179.1-177.5-95.1000112.1T79 D80 R81 S85 F86 W87 I99 L160T79-Y83 HydrophobicContact CG2-CD1 4.34Å; D80-Y83 WeakPolarHBondContact O-CB 3.24Å; D80-Y83 PolarHBondContact O-N 3.23Å; R81-Y83 PolarHBondContact O-N 2.84Å; Y83-S85 PolarHBondContact O-N 2.94Å; Y83-F86 PolarHBondContact O-N 3.22Å; Y83-W87 AromaticContact CD1-CD1 3.79Å; Y83-W87 AromaticContact CD2-CD1 3.81Å; Y83-W87 AromaticContact CD2-NE1 3.78Å; Y83-W87 AromaticContact CE1-CD1 3.47Å; Y83-W87 VanDerWaalsContact CE1-CD1 3.47Å; Y83-W87 HydrophobicContact CE1-CG 4.37Å; Y83-W87 AromaticContact CE1-NE1 3.8Å; Y83-W87 AromaticContact CE2-CD1 3.51Å; Y83-W87 AromaticContact CE2-NE1 3.11Å; Y83-W87 AromaticContact CG-CD1 3.95Å; Y83-W87 AromaticContact CZ-CD1 3.32Å; Y83-W87 AromaticContact CZ-NE1 3.11Å; Y83-W87 VanDerWaalsContact O-CD1 3.27Å; Y83-W87 PolarHBondContact O-N 3.25Å; Y83-W87 PolarHBondContact OH-NE1 3.12Å; Y83-I99 HydrophobicContact CE1-CD1 4.39Å; Y83-L160 WeakPolarHBondContact CB-O 3.31Å; Y83-L160 HydrophobicContact CD1-CB 4.09Å; Y83-L160 HydrophobicContact CD2-CB 3.9Å; Y83-L160 HydrophobicContact CE1-CB 4.31Å; Y83-L160 HydrophobicContact CE1-CD1 4.04Å; Y83-L160 HydrophobicContact CE2-CB 4.11Å; Y83-L160 HydrophobicContact CE2-CD2 4.46Å; Y83-L160 HydrophobicContact CG-CB 3.88Å
84S89.9Confident84.5Confident5 Ų555.1 Ų55.14%0.03529%0.288CS..Hα-helixtrans-64-41.5179.4-175.70000112.7D80 R81 S82 F86 W87 S88 I99 D101D80-S84 PolarHBondContact O-N 3.28Å; R81-S84 PolarHBondContact O-N 3.47Å; S82-S84 PolarHBondContact O-N 3.23Å; S84-F86 VanDerWaalsContact C-N 3.34Å; S84-F86 PolarHBondContact O-N 3.36Å; S84-W87 PolarHBondContact O-N 2.83Å; S84-S88 VanDerWaalsContact O-CB 3.25Å; S84-S88 WeakPolarHBondContact O-CB 3.37Å; S84-S88 PolarHBondContact O-N 3.5Å; S84-S88 PolarHBondContact O-OG 3.26Å; S84-I99 PolarHBondContact OG-O 3.26Å; S84-D101 VanDerWaalsContact CB-CG 3.48Å; S84-D101 WeakPolarHBondContact CB-OD1 3.16Å; S84-D101 PolarHBondContact OG-OD1 3.19Å
85S87.8Confident82.8Confident43 Ų4363.7 Ų63.730%0.30133%0.334SS..Hα-helixtrans-61-43.1176.171.70000112R81 S82 Y83 S88 V89R81-S85 WeakPolarHBondContact O-CB 3.38Å; R81-S85 PolarHBondContact O-N 3.34Å; R81-S85 PolarHBondContact O-OG 3.34Å; S82-S85 PolarHBondContact O-N 3.16Å; S82-S85 PolarHBondContact O-OG 3.42Å; Y83-S85 PolarHBondContact O-N 2.94Å; S85-S88 PolarHBondContact O-N 2.84Å; S85-V89 WeakPolarHBondContact O-CG2 3.42Å; S85-V89 PolarHBondContact O-N 3.2Å; S85-V89 VanDerWaalsContact O-N 3.16Å
86F84.3Confident81.1Confident40 Ų4063 Ų6318%0.17534%0.338CS..Hα-helixtrans-61.7-46.5177177.5-92.7000112.3S82 Y83 S84 K90 Y167S82-F86 PolarHBondContact O-N 3.2Å; Y83-F86 PolarHBondContact O-N 3.22Å; S84-F86 VanDerWaalsContact C-N 3.34Å; S84-F86 PolarHBondContact O-N 3.36Å; F86-K90 HydrophobicContact CE1-CD 4.48Å; F86-K90 PolarHBondContact O-N 3.2Å; F86-Y167 HydrophobicContact CB-CD1 4.48Å; F86-Y167 HydrophobicContact CB-CE1 4.34Å; F86-Y167 AromaticContact CD2-CD1 3.7Å; F86-Y167 HydrophobicContact CD2-CD1 3.7Å; F86-Y167 HydrophobicContact CD2-CE1 4.26Å; F86-Y167 HydrophobicContact CE2-CD1 4.39Å; F86-Y167 HydrophobicContact CG-CD1 4.45Å
87W82.4Confident79.9Confident81 Ų8170.9 Ų70.931%0.30737%0.37SS..Hα-helixtrans-74.8-28.2178.9-79.5100.6000113.4Y83 S84 V89 K90 K91 I99Y83-W87 AromaticContact CD1-CD1 3.79Å; Y83-W87 AromaticContact CD2-CD1 3.81Å; Y83-W87 AromaticContact CD2-NE1 3.78Å; Y83-W87 AromaticContact CE1-CD1 3.47Å; Y83-W87 VanDerWaalsContact CE1-CD1 3.47Å; Y83-W87 HydrophobicContact CE1-CG 4.37Å; Y83-W87 AromaticContact CE1-NE1 3.8Å; Y83-W87 AromaticContact CE2-CD1 3.51Å; Y83-W87 AromaticContact CE2-NE1 3.11Å; Y83-W87 AromaticContact CG-CD1 3.95Å; Y83-W87 AromaticContact CZ-CD1 3.32Å; Y83-W87 AromaticContact CZ-NE1 3.11Å; Y83-W87 VanDerWaalsContact O-CD1 3.27Å; Y83-W87 PolarHBondContact O-N 3.25Å; Y83-W87 PolarHBondContact OH-NE1 3.12Å; S84-W87 PolarHBondContact O-N 2.83Å; W87-V89 VanDerWaalsContact C-N 3.34Å; W87-K90 HydrophobicContact CE3-CB 4.47Å; W87-K90 HydrophobicContact CE3-CD 4.18Å; W87-K90 HydrophobicContact CZ3-CD 3.97Å; W87-K90 PolarHBondContact O-N 3.42Å; W87-K91 HydrophobicContact CE3-CG 4.41Å; W87-K91 WeakPolarHBondContact O-CB 3.16Å; W87-K91 VanDerWaalsContact O-CG 3.28Å; W87-K91 WeakPolarHBondContact O-CG 3.37Å; W87-K91 PolarHBondContact O-N 3.09Å; W87-I99 HydrophobicContact CB-CD1 3.47Å; W87-I99 VanDerWaalsContact CB-CD1 3.47Å; W87-I99 HydrophobicContact CG-CD1 4.03Å
88S81.5Confident78.9Confident58 Ų5878.1 Ų78.141%0.40641%0.407SS..Hα-helixtrans-63.3-42173.7-64.70000110.9S84 S85 A92S84-S88 VanDerWaalsContact O-CB 3.25Å; S84-S88 WeakPolarHBondContact O-CB 3.37Å; S84-S88 PolarHBondContact O-N 3.5Å; S84-S88 PolarHBondContact O-OG 3.26Å; S85-S88 PolarHBondContact O-N 2.84Å; S88-A92 PolarHBondContact O-N 3.41Å; S88-A92 VanDerWaalsContact O-N 3.1Å
89V78.5Confident78.3Confident74 Ų7479.8 Ų79.845%0.44842%0.416SS..Hα-helixtrans-63.4-46.1173.7174.30000111.1S85 W87 Y167S85-V89 WeakPolarHBondContact O-CG2 3.42Å; S85-V89 PolarHBondContact O-N 3.2Å; S85-V89 VanDerWaalsContact O-N 3.16Å; W87-V89 VanDerWaalsContact C-N 3.34Å; V89-Y167 HydrophobicContact CB-CD1 4.15Å; V89-Y167 HydrophobicContact CB-CE1 4.49Å; V89-Y167 HydrophobicContact CG1-CD1 4.27Å; V89-Y167 HydrophobicContact CG1-CG 4.17Å; V89-Y167 HydrophobicContact CG2-CD1 4.19Å; V89-Y167 HydrophobicContact CG2-CE1 4.09Å
90K73.6Confident78Confident80 Ų8085.6 Ų85.635%0.34844%0.442SS..Hα-helixtrans-69.6-33.6-179.6-166.2172.2-173.4170.10113.5F86 W87 N170F86-K90 HydrophobicContact CE1-CD 4.48Å; F86-K90 PolarHBondContact O-N 3.2Å; W87-K90 HydrophobicContact CE3-CB 4.47Å; W87-K90 HydrophobicContact CE3-CD 4.18Å; W87-K90 HydrophobicContact CZ3-CD 3.97Å; W87-K90 PolarHBondContact O-N 3.42Å; K90-N170 PolarHBondContact NZ-OD1 2.95Å
91K71.1Confident77.8Confident62 Ų6287 Ų8727%0.2745%0.45SS..Hα-helixtrans-86.1-13.4-178.5-76.3179.4172.1-176.70114.1W87 E93 S94 I99W87-K91 HydrophobicContact CE3-CG 4.41Å; W87-K91 WeakPolarHBondContact O-CB 3.16Å; W87-K91 VanDerWaalsContact O-CG 3.28Å; W87-K91 WeakPolarHBondContact O-CG 3.37Å; W87-K91 PolarHBondContact O-N 3.09Å; K91-E93 PolarHBondContact O-N 2.91Å; K91-S94 CarbonylContact O-C 3.59Å; K91-S94 PolarHBondContact O-N 3.32Å; K91-I99 HydrophobicContact CD-CD1 4.46Å
92A63.8Low78Confident90 Ų9079 Ų7974%0.74442%0.42SS*.THydrogen-bonded Turntrans-53.7-17.4169.500000112.4S88S88-A92 PolarHBondContact O-N 3.41Å; S88-A92 VanDerWaalsContact O-N 3.1Å
93E63.8Low78.3Confident172 Ų17280.4 Ų80.480%0.80443%0.429SS*.THydrogen-bonded Turntrans-80.9-10.1173.4-56.3-179.7169.100114.6K91K91-E93 PolarHBondContact O-N 2.91Å
94S58.4Low78.5Confident68 Ų6884.9 Ų84.948%0.47645%0.452SS..SBendtrans-152.4121.6-177.558.80000114K91 S96K91-S94 CarbonylContact O-C 3.59Å; K91-S94 PolarHBondContact O-N 3.32Å; S94-S96 PolarHBondContact O-N 3.14Å; S94-S96 PolarHBondContact O-OG 3.39Å
95D58.3Low78.9Confident184 Ų18485 Ų8598%0.98445%0.453SS*.  trans-5784.6-176.4-72.1-22.2000114.3
96S58.6Low79.3Confident68 Ų6883 Ų8348%0.47644%0.439SS..  trans-140.4158.7178.961.70000112.8S94S94-S96 PolarHBondContact O-N 3.14Å; S94-S96 PolarHBondContact O-OG 3.39Å
97K70.9Confident80Confident189 Ų18984.1 Ų84.182%0.82246%0.455SS*.PPolyproline II helixtrans-49.8136.3-173.6-61.4177-179179.10113I99K97-I99 PolarHBondContact O-N 3.1Å
98I77.1Confident80.7Confident153 Ų15383.7 Ų83.779%0.78546%0.458SS*.PPolyproline II helixtrans-59130172.8-59.5169.2000108.9
99I82Confident81.5Confident35 Ų3581 Ų8118%0.17944%0.439CS..PPolyproline II helixtrans-77.2131.1172.9-64.6164000107.3T79 Y83 S84 W87 K91 K97T79-I99 HydrophobicContact CG2-CG2 4.4Å; Y83-I99 HydrophobicContact CE1-CD1 4.39Å; S84-I99 PolarHBondContact OG-O 3.26Å; W87-I99 HydrophobicContact CB-CD1 3.47Å; W87-I99 VanDerWaalsContact CB-CD1 3.47Å; W87-I99 HydrophobicContact CG-CD1 4.03Å; K91-I99 HydrophobicContact CD-CD1 4.46Å; K97-I99 PolarHBondContact O-N 3.1Å
100Q88.6Confident82.4Confident132 Ų13280 Ų8062%0.61743%0.429SS*.PPolyproline II helixtrans-84.3145.1176.7-66.8-179.4-1.500110.9V76 T79V76-Q100 HydrophobicContact CG1-CB 3.89Å; V76-Q100 HydrophobicContact CG2-CB 3.91Å; T79-Q100 PolarHBondContact OG1-O 2.84Å
101D91.5Very high83.5Confident46 Ų4678.4 Ų78.425%0.24643%0.428CS..PPolyproline II helixtrans-103.8148.1-175.7-62.114.8000110S84 S103S84-D101 VanDerWaalsContact CB-CG 3.48Å; S84-D101 WeakPolarHBondContact CB-OD1 3.16Å; S84-D101 PolarHBondContact OG-OD1 3.19Å; D101-S103 PolarHBondContact O-N 2.82Å
102N95.4Very high84.7Confident2 Ų276.3 Ų76.31%0.01142%0.42CS..THydrogen-bonded Turntrans-71.3-3.1174.768.2-0.7000114.7V76 V77 T79 E104 L105 A106 A188V76-N102 VanDerWaalsContact O-CB 3.31Å; V76-N102 WeakPolarHBondContact O-CB 3.43Å; V77-N102 WeakPolarHBondContact O-CB 3.22Å; V77-N102 PolarHBondContact O-ND2 3.45Å; T79-N102 VanDerWaalsContact O-CB 3.24Å; T79-N102 WeakPolarHBondContact O-CB 3.32Å; T79-N102 PolarHBondContact O-N 3.05Å; T79-N102 PolarHBondContact O-ND2 3.42Å; T79-N102 PolarHBondContact O-OD1 3.41Å; N102-E104 PolarHBondContact O-N 3.44Å; N102-L105 PolarHBondContact O-N 3.34Å; N102-A106 WeakPolarHBondContact O-CB 3.5Å; N102-A106 PolarHBondContact O-N 3.18Å; N102-A188 HydrophobicContact CB-CB 3.76Å
103S95.6Very high86.2Confident55 Ų5572.1 Ų72.139%0.38539%0.385SS..Hα-helixtrans-59.1-44.8-170.9630000114.1D101 A106 A107D101-S103 PolarHBondContact O-N 2.82Å; S103-A106 PolarHBondContact O-N 3.48Å; S103-A107 PolarHBondContact O-N 3.48Å
104E96.1Very high87.7Confident145 Ų14567.6 Ų67.668%0.67836%0.364SS*.Hα-helixtrans-65.3-43.2177.8-64.2-178.6179.600111.4N102 A107 L108N102-E104 PolarHBondContact O-N 3.44Å; E104-A107 PolarHBondContact O-N 3.46Å; E104-L108 WeakPolarHBondContact O-CG 3.41Å; E104-L108 PolarHBondContact O-N 3.44Å; E104-L108 VanDerWaalsContact O-N 3.08Å
105L97.2Very high89.4Confident9 Ų969.9 Ų69.95%0.04737%0.371CS..Hα-helixtrans-66-39.6177.7-67.7176.3000111.4V76 V77 N102 L108 G109 A188 K195V76-L105 HydrophobicContact CG1-CD1 4.06Å; V77-L105 HydrophobicContact CG2-CD1 3.78Å; N102-L105 PolarHBondContact O-N 3.34Å; L105-L108 PolarHBondContact O-N 2.81Å; L105-G109 PolarHBondContact O-N 3.03Å; L105-A188 HydrophobicContact CB-CB 3.83Å; L105-K195 HydrophobicContact CD2-CD 3.7Å; L105-K195 VanDerWaalsContact CD2-CE 3.44Å; L105-K195 VanDerWaalsContact CD2-NZ 3.27Å
106A97.7Very high91.1Very high1 Ų161.2 Ų61.21%0.00833%0.325CS..Hα-helixtrans-63.1-45.4177.200000111.2N102 S103 L108 G109 F110 H184 M187 A188N102-A106 WeakPolarHBondContact O-CB 3.5Å; N102-A106 PolarHBondContact O-N 3.18Å; S103-A106 PolarHBondContact O-N 3.48Å; A106-L108 VanDerWaalsContact C-N 3.31Å; A106-L108 PolarHBondContact O-N 3.05Å; A106-G109 PolarHBondContact O-N 3Å; A106-G109 VanDerWaalsContact O-N 3.12Å; A106-F110 WeakPolarHBondContact O-CD2 3.36Å; A106-F110 PolarHBondContact O-N 3.48Å; A106-H184 HydrophobicContact CB-CB 4.21Å; A106-M187 HydrophobicContact CB-CB 4.45Å; A106-A188 HydrophobicContact CB-CB 4.22Å
107A97.8Very high92.8Very high62 Ų6258 Ų5851%0.51230%0.302SS..Hα-helixtrans-60.4-40.517600000112.3S103 E104 F110 S111S103-A107 PolarHBondContact O-N 3.48Å; E104-A107 PolarHBondContact O-N 3.46Å; A107-F110 PolarHBondContact O-N 3.44Å; A107-S111 PolarHBondContact O-N 3.34Å; A107-S111 VanDerWaalsContact O-N 3.11Å; A107-S111 PolarHBondContact O-OG 3.21Å
108L97.6Very high94Very high73 Ų7351.3 Ų51.338%0.38227%0.272SS..Hα-helixtrans-63.8-43.3172.4-68.4175.3000111.6E104 L105 A106 F110 S111 V112E104-L108 WeakPolarHBondContact O-CG 3.41Å; E104-L108 PolarHBondContact O-N 3.44Å; E104-L108 VanDerWaalsContact O-N 3.08Å; L105-L108 PolarHBondContact O-N 2.81Å; A106-L108 VanDerWaalsContact C-N 3.31Å; A106-L108 PolarHBondContact O-N 3.05Å; L108-F110 VanDerWaalsContact C-N 3.33Å; L108-F110 PolarHBondContact O-N 2.72Å; L108-S111 PolarHBondContact O-N 3.5Å; L108-S111 PolarHBondContact O-OG 2.53Å; L108-V112 WeakPolarHBondContact O-CB 3.18Å; L108-V112 VanDerWaalsContact O-CG2 3.25Å; L108-V112 WeakPolarHBondContact O-CG2 3.39Å; L108-V112 PolarHBondContact O-N 3.43Å
109G97.9Very high94.8Very high0 Ų044.5 Ų44.50%024%0.238CC..Hα-helixtrans-58.9-43.2175.500000112.9L105 A106 V112 S113 M187L105-G109 PolarHBondContact O-N 3.03Å; A106-G109 PolarHBondContact O-N 3Å; A106-G109 VanDerWaalsContact O-N 3.12Å; G109-V112 PolarHBondContact O-N 3.34Å; G109-S113 WeakPolarHBondContact O-CB 3.37Å; G109-S113 PolarHBondContact O-N 2.92Å; G109-S113 PolarHBondContact O-OG 3.4Å; G109-M187 VanDerWaalsContact CA-O 3.29Å; G109-M187 WeakPolarHBondContact CA-O 3.49Å; G109-M187 WeakPolarHBondContact O-CE 3.41Å
110F97.4Very high95.3Very high53 Ų5342.8 Ų42.823%0.23223%0.229CC..Hα-helixtrans-63.7-43178.2-80.8-68.2000112.1A106 A107 L108 S113 E114 L146 M187A106-F110 WeakPolarHBondContact O-CD2 3.36Å; A106-F110 PolarHBondContact O-N 3.48Å; A107-F110 PolarHBondContact O-N 3.44Å; L108-F110 VanDerWaalsContact C-N 3.33Å; L108-F110 PolarHBondContact O-N 2.72Å; F110-S113 PolarHBondContact O-N 3.33Å; F110-S113 PolarHBondContact O-OG 3.35Å; F110-S113 VanDerWaalsContact O-OG 3.06Å; F110-E114 WeakPolarHBondContact O-CG 3.37Å; F110-E114 PolarHBondContact O-N 2.8Å; F110-E114 VanDerWaalsContact O-N 3.07Å; F110-L146 HydrophobicContact CE1-CD1 3.85Å; F110-L146 HydrophobicContact CZ-CD1 4.29Å; F110-M187 VanDerWaalsContact CA-CE 3.41Å; F110-M187 HydrophobicContact CB-CE 4.24Å; F110-M187 HydrophobicContact CD1-CE 3.62Å; F110-M187 HydrophobicContact CD1-CG 3.96Å; F110-M187 HydrophobicContact CD1-SD 4.45Å; F110-M187 HydrophobicContact CD2-CB 4.05Å; F110-M187 HydrophobicContact CD2-CG 4.14Å; F110-M187 HydrophobicContact CE1-CE 4.14Å; F110-M187 HydrophobicContact CE1-CG 3.64Å; F110-M187 HydrophobicContact CE1-SD 4.4Å; F110-M187 HydrophobicContact CE2-CB 3.92Å; F110-M187 HydrophobicContact CE2-CG 3.81Å; F110-M187 HydrophobicContact CG-CB 4.41Å; F110-M187 HydrophobicContact CG-CE 3.91Å; F110-M187 HydrophobicContact CG-CG 4.2Å; F110-M187 HydrophobicContact CZ-CB 4.19Å; F110-M187 HydrophobicContact CZ-CG 3.56Å
111S96.8Very high95.6Very high48 Ų4836.5 Ų36.534%0.33620%0.2SC..Hα-helixtrans-67.8-41.9177.258.40000112.1A107 L108 S113 E114 N115A107-S111 PolarHBondContact O-N 3.34Å; A107-S111 VanDerWaalsContact O-N 3.11Å; A107-S111 PolarHBondContact O-OG 3.21Å; L108-S111 PolarHBondContact O-N 3.5Å; L108-S111 PolarHBondContact O-OG 2.53Å; S111-S113 VanDerWaalsContact C-N 3.35Å; S111-S113 PolarHBondContact O-N 3.13Å; S111-E114 PolarHBondContact O-N 3.07Å; S111-N115 WeakPolarHBondContact O-CB 3.44Å; S111-N115 PolarHBondContact O-N 3.48Å; S111-N115 PolarHBondContact O-ND2 3.27Å
112V96.2Very high95.7Very high17 Ų1735.3 Ų35.310%0.10319%0.192CC..Hα-helixtrans-63.4-40176.4172.60000111.6L108 G109 F116 A194 A201 I205L108-V112 WeakPolarHBondContact O-CB 3.18Å; L108-V112 VanDerWaalsContact O-CG2 3.25Å; L108-V112 WeakPolarHBondContact O-CG2 3.39Å; L108-V112 PolarHBondContact O-N 3.43Å; G109-V112 PolarHBondContact O-N 3.34Å; V112-F116 WeakPolarHBondContact O-CB 3.34Å; V112-F116 PolarHBondContact O-N 3.17Å; V112-F116 VanDerWaalsContact O-N 3.15Å; V112-A194 HydrophobicContact CG1-CB 4.26Å; V112-A194 HydrophobicContact CG2-CB 3.91Å; V112-A201 HydrophobicContact CG1-CB 4.2Å; V112-I205 HydrophobicContact CG1-CD1 4.26Å
113S96.1Very high95.5Very high2 Ų236.2 Ų36.21%0.01420%0.198CC..Hα-helixtrans-69.2-41.3178.372.80000112.6G109 F110 S111 F116 L117 M187G109-S113 WeakPolarHBondContact O-CB 3.37Å; G109-S113 PolarHBondContact O-N 2.92Å; G109-S113 PolarHBondContact O-OG 3.4Å; F110-S113 PolarHBondContact O-N 3.33Å; F110-S113 PolarHBondContact O-OG 3.35Å; F110-S113 VanDerWaalsContact O-OG 3.06Å; S111-S113 VanDerWaalsContact C-N 3.35Å; S111-S113 PolarHBondContact O-N 3.13Å; S113-F116 PolarHBondContact O-N 3.4Å; S113-L117 VanDerWaalsContact O-CB 3.23Å; S113-L117 WeakPolarHBondContact O-CB 3.37Å; S113-L117 WeakPolarHBondContact O-CG 3.42Å; S113-L117 PolarHBondContact O-N 3.48Å; S113-M187 WeakPolarHBondContact OG-CE 3.32Å
114E94.7Very high95.3Very high77 Ų7735.2 Ų35.236%0.3619%0.19SC..Hα-helixtrans-58.1-51.8173.2-73.4-176.7171.400111.4F110 S111 F116 L117 Y118 K141F110-E114 WeakPolarHBondContact O-CG 3.37Å; F110-E114 PolarHBondContact O-N 2.8Å; F110-E114 VanDerWaalsContact O-N 3.07Å; S111-E114 PolarHBondContact O-N 3.07Å; E114-F116 PolarHBondContact O-N 3.09Å; E114-F116 VanDerWaalsContact O-N 3.12Å; E114-L117 PolarHBondContact O-N 3.42Å; E114-Y118 HydrophobicContact CB-CD2 4.41Å; E114-Y118 HydrophobicContact CB-CE2 4.3Å; E114-Y118 VanDerWaalsContact O-CD2 3.24Å; E114-Y118 WeakPolarHBondContact O-CD2 3.35Å; E114-Y118 PolarHBondContact O-N 2.91Å; E114-K141 HydrophobicContact CG-CD 4.11Å; E114-K141 IonicContact OE1-NZ 3.51Å; E114-K141 PolarHBondContact OE1-NZ 2.83Å
115N93.7Very high95.1Very high116 Ų11629.1 Ų29.162%0.6216%0.161SC*.Hα-helixtrans-60.9-25.9-176.8-69.2-19.7000112.8S111 P119S111-N115 WeakPolarHBondContact O-CB 3.44Å; S111-N115 PolarHBondContact O-N 3.48Å; S111-N115 PolarHBondContact O-ND2 3.27Å; N115-P119 WeakPolarHBondContact O-CD 3.47Å; N115-P119 VanDerWaalsContact O-CG 3.27Å; N115-P119 WeakPolarHBondContact O-CG 3.45Å
116F93.9Very high94.8Very high2 Ų232.3 Ų32.31%0.00918%0.182CC..Hα-helixtrans-90.3-44176.3-179.8-105.5000113.4V112 S113 E114 Y118 P119 F120 H202 I205 R206 L210 L310 L315V112-F116 WeakPolarHBondContact O-CB 3.34Å; V112-F116 PolarHBondContact O-N 3.17Å; V112-F116 VanDerWaalsContact O-N 3.15Å; S113-F116 PolarHBondContact O-N 3.4Å; E114-F116 PolarHBondContact O-N 3.09Å; E114-F116 VanDerWaalsContact O-N 3.12Å; F116-Y118 PolarHBondContact O-N 3.31Å; F116-P119 WeakPolarHBondContact O-CD 3.18Å; F116-F120 HydrophobicContact CE1-CD2 4.45Å; F116-F120 HydrophobicContact CZ-CD2 4.01Å; F116-F120 HydrophobicContact CZ-CG 4.5Å; F116-F120 WeakPolarHBondContact O-CB 3.31Å; F116-F120 PolarHBondContact O-N 3.48Å; F116-F120 VanDerWaalsContact O-N 3.1Å; F116-H202 HydrophobicContact CD2-CB 3.79Å; F116-H202 AromaticContact CD2-CE1 3.79Å; F116-H202 AromaticContact CD2-CG 3.45Å; F116-H202 VanDerWaalsContact CD2-CG 3.45Å; F116-H202 AromaticContact CD2-ND1 3.3Å; F116-H202 VanDerWaalsContact CD2-ND1 3.3Å; F116-H202 WeakPolarHBondContact CD2-ND1 3.25Å; F116-H202 HydrophobicContact CE2-CB 3.61Å; F116-H202 AromaticContact CE2-CG 3.78Å; F116-H202 HydrophobicContact CG-CB 4.36Å; F116-H202 AromaticContact CG-ND1 3.46Å; F116-H202 WeakPolarHBondContact CG-ND1 3.33Å; F116-H202 HydrophobicContact CZ-CB 4.02Å; F116-I205 HydrophobicContact CB-CD1 4.36Å; F116-I205 HydrophobicContact CD1-CB 3.95Å; F116-I205 HydrophobicContact CD1-CD1 4.26Å; F116-I205 HydrophobicContact CD1-CG2 3.59Å; F116-I205 HydrophobicContact CE1-CB 4.15Å; F116-I205 HydrophobicContact CE1-CG2 3.95Å; F116-R206 HydrophobicContact CE1-CB 4.44Å; F116-L210 HydrophobicContact CE1-CD1 3.94Å; F116-L310 HydrophobicContact CE2-CD2 4.35Å; F116-L310 HydrophobicContact CZ-CD2 4.05Å; F116-L315 HydrophobicContact CD2-CD1 4.31Å; F116-L315 HydrophobicContact CE2-CD1 4.35Å
117L95.4Very high94.5Very high0 Ų036.5 Ų36.50%020%0.202CC..Hα-helixtrans-64.8-41.6-174.1-72.8171000112.1S113 E114 L121 V137 L140 K141 I205 L210S113-L117 VanDerWaalsContact O-CB 3.23Å; S113-L117 WeakPolarHBondContact O-CB 3.37Å; S113-L117 WeakPolarHBondContact O-CG 3.42Å; S113-L117 PolarHBondContact O-N 3.48Å; E114-L117 PolarHBondContact O-N 3.42Å; L117-L121 WeakPolarHBondContact O-CB 3.31Å; L117-L121 VanDerWaalsContact O-CG 3.31Å; L117-L121 WeakPolarHBondContact O-CG 3.39Å; L117-L121 PolarHBondContact O-N 3.29Å; L117-V137 HydrophobicContact CB-CG2 4.21Å; L117-V137 HydrophobicContact CD1-CG1 4.44Å; L117-L140 HydrophobicContact CD2-CD1 4.02Å; L117-K141 HydrophobicContact CD1-CD 4.04Å; L117-K141 HydrophobicContact CD1-CG 4.13Å; L117-I205 HydrophobicContact CD2-CG2 3.79Å; L117-I205 HydrophobicContact CG-CG2 4.18Å; L117-L210 HydrophobicContact CD2-CD1 4.36Å; L117-L210 HydrophobicContact CD2-CD2 3.53Å; L117-L210 HydrophobicContact CD2-CG 3.81Å
118Y95.5Very high94.3Very high49 Ų4933.8 Ų33.819%0.19218%0.178CC..Hα-helixtrans-63.4-56.3-179.4-75.3-72.1000112.5E114 F116 F120 L121 R122 I133 M134 V137E114-Y118 HydrophobicContact CB-CD2 4.41Å; E114-Y118 HydrophobicContact CB-CE2 4.3Å; E114-Y118 VanDerWaalsContact O-CD2 3.24Å; E114-Y118 WeakPolarHBondContact O-CD2 3.35Å; E114-Y118 PolarHBondContact O-N 2.91Å; F116-Y118 PolarHBondContact O-N 3.31Å; Y118-F120 VanDerWaalsContact C-N 3.28Å; Y118-F120 PolarHBondContact O-N 3.34Å; Y118-L121 PolarHBondContact O-N 2.94Å; Y118-R122 WeakPolarHBondContact O-CB 3.43Å; Y118-R122 VanDerWaalsContact O-CG 3.29Å; Y118-R122 WeakPolarHBondContact O-CG 3.33Å; Y118-R122 PolarHBondContact O-N 3.29Å; Y118-I133 HydrophobicContact CD1-CG2 3.96Å; Y118-I133 HydrophobicContact CE1-CG2 4.48Å; Y118-M134 HydrophobicContact CE1-CG 3.99Å; Y118-V137 HydrophobicContact CD1-CG2 3.92Å; Y118-V137 HydrophobicContact CE1-CB 4.09Å; Y118-V137 HydrophobicContact CE1-CG1 4.23Å; Y118-V137 HydrophobicContact CE1-CG2 3.84Å; Y118-V137 HydrophobicContact CE2-CG1 4Å; Y118-V137 HydrophobicContact CG-CG2 4.38Å
119P93.9Very high94.2Very high10 Ų1030.4 Ų30.47%0.06516%0.161CC..Hα-helixtrans-63.3-35.2178.7-22.235.3000112.6N115 F116 R122 S123 L315 F318N115-P119 WeakPolarHBondContact O-CD 3.47Å; N115-P119 VanDerWaalsContact O-CG 3.27Å; N115-P119 WeakPolarHBondContact O-CG 3.45Å; F116-P119 WeakPolarHBondContact O-CD 3.18Å; P119-R122 PolarHBondContact O-N 2.64Å; P119-S123 WeakPolarHBondContact O-CB 3.26Å; P119-S123 PolarHBondContact O-N 2.64Å; P119-L315 HydrophobicContact CB-CB 4.41Å; P119-L315 HydrophobicContact CB-CD2 4.04Å; P119-F318 WeakPolarHBondContact CA-O 3.43Å; P119-F318 HydrophobicContact CB-CB 4.11Å; P119-F318 WeakPolarHBondContact O-CB 3.5Å
120F93.1Very high94Very high0 Ų031.4 Ų31.40%017%0.165CC..Hα-helixtrans-60.8-52.5175.7-177.1-87.5000111.3F116 Y118 R122 S123 V124 L210 I304 P305 L313F116-F120 HydrophobicContact CE1-CD2 4.45Å; F116-F120 HydrophobicContact CZ-CD2 4.01Å; F116-F120 HydrophobicContact CZ-CG 4.5Å; F116-F120 WeakPolarHBondContact O-CB 3.31Å; F116-F120 PolarHBondContact O-N 3.48Å; F116-F120 VanDerWaalsContact O-N 3.1Å; Y118-F120 VanDerWaalsContact C-N 3.28Å; Y118-F120 PolarHBondContact O-N 3.34Å; F120-R122 VanDerWaalsContact C-N 3.33Å; F120-R122 PolarHBondContact O-N 2.65Å; F120-S123 WeakPolarHBondContact O-CB 3.29Å; F120-S123 PolarHBondContact O-N 3.13Å; F120-S123 VanDerWaalsContact O-N 3.13Å; F120-S123 PolarHBondContact O-OG 2.95Å; F120-V124 HydrophobicContact CD1-CG2 4.19Å; F120-V124 HydrophobicContact CE1-CG2 3.76Å; F120-V124 HydrophobicContact CZ-CG2 4.05Å; F120-V124 WeakPolarHBondContact O-CG2 3.44Å; F120-V124 PolarHBondContact O-N 2.99Å; F120-V124 VanDerWaalsContact O-N 3.09Å; F120-L210 HydrophobicContact CD1-CD1 3.38Å; F120-L210 HydrophobicContact CD1-CD2 3.97Å; F120-L210 HydrophobicContact CD1-CG 4.34Å; F120-L210 HydrophobicContact CD2-CD1 4.15Å; F120-L210 HydrophobicContact CE1-CD1 3.35Å; F120-L210 HydrophobicContact CE1-CD2 4.09Å; F120-L210 HydrophobicContact CE1-CG 4.28Å; F120-L210 HydrophobicContact CE2-CD1 4.12Å; F120-L210 HydrophobicContact CG-CD1 3.8Å; F120-L210 HydrophobicContact CZ-CD1 3.74Å; F120-I304 HydrophobicContact CE1-CG2 3.84Å; F120-I304 HydrophobicContact CZ-CG2 4.08Å; F120-P305 HydrophobicContact CZ-CG 4.31Å; F120-L313 HydrophobicContact CD2-CD1 3.56Å; F120-L313 HydrophobicContact CE2-CD1 3.5Å; F120-L313 VanDerWaalsContact CE2-CD1 3.5Å
121L93.5Very high93.9Very high0 Ų032 Ų320%017%0.169CC..Hα-helixtrans-65.4-35.3-179.2-71.3171.6000112.6L117 Y118 S123 V124 Y125 I133 I136 V137 L210 L213L117-L121 WeakPolarHBondContact O-CB 3.31Å; L117-L121 VanDerWaalsContact O-CG 3.31Å; L117-L121 WeakPolarHBondContact O-CG 3.39Å; L117-L121 PolarHBondContact O-N 3.29Å; Y118-L121 PolarHBondContact O-N 2.94Å; L121-S123 VanDerWaalsContact C-N 3.32Å; L121-S123 PolarHBondContact O-N 3.43Å; L121-V124 PolarHBondContact O-N 3.37Å; L121-Y125 HydrophobicContact CD2-CD2 4.33Å; L121-Y125 HydrophobicContact CD2-CE2 4.18Å; L121-Y125 WeakPolarHBondContact O-CB 3.01Å; L121-Y125 PolarHBondContact O-N 2.94Å; L121-I133 HydrophobicContact CB-CG2 3.94Å; L121-I133 HydrophobicContact CD1-CG2 4.27Å; L121-I136 HydrophobicContact CD1-CB 4.25Å; L121-I136 HydrophobicContact CD1-CG2 3.71Å; L121-I136 HydrophobicContact CD2-CG2 4.26Å; L121-V137 HydrophobicContact CD1-CG2 3.49Å; L121-V137 VanDerWaalsContact CD1-CG2 3.49Å; L121-L210 HydrophobicContact CD2-CD2 4.36Å; L121-L213 HydrophobicContact CD2-CD1 3.78Å
122R94.2Very high93.8Very high20 Ų2029.9 Ų29.98%0.07515%0.153CC..Hα-helixtrans-65.4-34.9173.3-71169.9-170.6157.92.9112.5Y118 P119 F120 Y125 P126 E130 I133 F318 S319 Q320Y118-R122 WeakPolarHBondContact O-CB 3.43Å; Y118-R122 VanDerWaalsContact O-CG 3.29Å; Y118-R122 WeakPolarHBondContact O-CG 3.33Å; Y118-R122 PolarHBondContact O-N 3.29Å; P119-R122 PolarHBondContact O-N 2.64Å; F120-R122 VanDerWaalsContact C-N 3.33Å; F120-R122 PolarHBondContact O-N 2.65Å; R122-Y125 CarbonylContact O-C 3.46Å; R122-P126 VanDerWaalsContact O-CA 3.25Å; R122-P126 WeakPolarHBondContact O-CA 3.35Å; R122-P126 VanDerWaalsContact O-N 3.16Å; R122-E130 IonicContact CZ-OE1 3.7Å; R122-E130 IonicContact CZ-OE2 2.82Å; R122-E130 IonicContact NE-OE1 2.72Å; R122-E130 IonicContact NE-OE2 3.6Å; R122-E130 PolarHBondContact NE-OE2 2.99Å; R122-E130 IonicContact NH2-OE1 3.68Å; R122-E130 PolarHBondContact NH2-OE1 3.09Å; R122-E130 IonicContact NH2-OE2 3.56Å; R122-E130 PolarHBondContact NH2-OE2 2.75Å; R122-I133 HydrophobicContact CB-CD1 4.46Å; R122-I133 HydrophobicContact CG-CD1 3.56Å; R122-F318 HydrophobicContact CB-CB 4Å; R122-F318 HydrophobicContact CB-CD1 4.06Å; R122-F318 HydrophobicContact CB-CG 4.39Å; R122-F318 WeakPolarHBondContact CD-O 3.26Å; R122-F318 PolarHBondContact NH1-O 3.31Å; R122-S319 VanDerWaalsContact NH1-C 3.31Å; R122-S319 PolarHBondContact NH1-O 3.4Å; R122-Q320 WeakPolarHBondContact CD-O 3.26Å; R122-Q320 PolarHBondContact NH1-O 2.92Å; R122-Q320 VanDerWaalsContact NH1-O 3.16Å
123S91.7Very high93.8Very high21 Ų2129.1 Ų29.115%0.14715%0.149CC..Hα-helixtrans-67.9-37.9175.378.10000112.5P119 F120 L121 F318P119-S123 WeakPolarHBondContact O-CB 3.26Å; P119-S123 PolarHBondContact O-N 2.64Å; F120-S123 WeakPolarHBondContact O-CB 3.29Å; F120-S123 PolarHBondContact O-N 3.13Å; F120-S123 VanDerWaalsContact O-N 3.13Å; F120-S123 PolarHBondContact O-OG 2.95Å; L121-S123 VanDerWaalsContact C-N 3.32Å; L121-S123 PolarHBondContact O-N 3.43Å; S123-F318 VanDerWaalsContact CB-CD2 3.47Å
124V90.5Very high93.8Very high34 Ų3432.4 Ų32.421%0.20617%0.165CC..Hα-helixtrans-77-39.4178.31790000111.1F120 L121 P126 P305F120-V124 HydrophobicContact CD1-CG2 4.19Å; F120-V124 HydrophobicContact CE1-CG2 3.76Å; F120-V124 HydrophobicContact CZ-CG2 4.05Å; F120-V124 WeakPolarHBondContact O-CG2 3.44Å; F120-V124 PolarHBondContact O-N 2.99Å; F120-V124 VanDerWaalsContact O-N 3.09Å; L121-V124 PolarHBondContact O-N 3.37Å; V124-P126 VanDerWaalsContact C-CD 3.43Å; V124-P126 VanDerWaalsContact O-CD 3.32Å; V124-P126 WeakPolarHBondContact O-CD 3.44Å; V124-P305 HydrophobicContact CG2-CG 3.79Å
125Y92.1Very high93.8Very high18 Ų1831.1 Ų31.17%0.07116%0.162CC..  trans-122.269.5-176.7-54.6-67.6000111.5L121 R122 Q127 F128 L218 R301 I304 N322L121-Y125 HydrophobicContact CD2-CD2 4.33Å; L121-Y125 HydrophobicContact CD2-CE2 4.18Å; L121-Y125 WeakPolarHBondContact O-CB 3.01Å; L121-Y125 PolarHBondContact O-N 2.94Å; R122-Y125 CarbonylContact O-C 3.46Å; Y125-Q127 PolarHBondContact O-N 3.09Å; Y125-F128 HydrophobicContact CD1-CD1 4.45Å; Y125-F128 HydrophobicContact CD1-CD2 4.45Å; Y125-F128 HydrophobicContact CD1-CE1 4.07Å; Y125-F128 HydrophobicContact CD1-CE2 4.07Å; Y125-F128 AromaticContact CD1-CZ 3.86Å; Y125-F128 HydrophobicContact CD1-CZ 3.86Å; Y125-F128 HydrophobicContact CD2-CD2 4.49Å; Y125-F128 HydrophobicContact CD2-CE2 4.47Å; Y125-F128 HydrophobicContact CE1-CZ 4.31Å; Y125-F128 HydrophobicContact CG-CD1 4.47Å; Y125-F128 HydrophobicContact CG-CD2 4.02Å; Y125-F128 HydrophobicContact CG-CE1 4.47Å; Y125-F128 HydrophobicContact CG-CE2 4.03Å; Y125-F128 HydrophobicContact CG-CG 4.25Å; Y125-F128 HydrophobicContact CG-CZ 4.26Å; Y125-F128 PolarHBondContact O-N 3.1Å; Y125-L218 HydrophobicContact CE1-CD1 4.43Å; Y125-L218 HydrophobicContact CE2-CD1 4.42Å; Y125-L218 WeakPolarHBondContact OH-CD1 3.34Å; Y125-R301 PolarHBondContact OH-NH1 3.31Å; Y125-I304 WeakPolarHBondContact OH-CG1 3.47Å; Y125-N322 PolarHBondContact O-ND2 2.9Å
126P91.1Very high93.9Very high76 Ų7625.6 Ų25.649%0.49413%0.132SC..THydrogen-bonded Turntrans-68-21.3-176.127.1-35.8000113.5R122 V124R122-P126 VanDerWaalsContact O-CA 3.25Å; R122-P126 WeakPolarHBondContact O-CA 3.35Å; R122-P126 VanDerWaalsContact O-N 3.16Å; V124-P126 VanDerWaalsContact C-CD 3.43Å; V124-P126 VanDerWaalsContact O-CD 3.32Å; V124-P126 WeakPolarHBondContact O-CD 3.44Å
127Q90.9Very high94Very high89 Ų8925.5 Ų25.542%0.41613%0.132SC..THydrogen-bonded Turntrans-87.5-16179.4-63.7-174.5-34.200112.7Y125 F295 K296Y125-Q127 PolarHBondContact O-N 3.09Å; Q127-F295 HydrophobicContact CB-CD1 4.47Å; Q127-F295 WeakPolarHBondContact O-CD1 3.49Å; Q127-F295 WeakPolarHBondContact O-CE1 3.21Å; Q127-K296 VanDerWaalsContact OE1-CE 3.25Å
128F94.6Very high94Very high5 Ų531.1 Ų31.12%0.02216%0.159CC..SBendtrans-69.6137.4-174.4-84.525.4000111Y125 W132 I133 I136 I222 F295 L297 N322Y125-F128 HydrophobicContact CD1-CD1 4.45Å; Y125-F128 HydrophobicContact CD1-CD2 4.45Å; Y125-F128 HydrophobicContact CD1-CE1 4.07Å; Y125-F128 HydrophobicContact CD1-CE2 4.07Å; Y125-F128 AromaticContact CD1-CZ 3.86Å; Y125-F128 HydrophobicContact CD1-CZ 3.86Å; Y125-F128 HydrophobicContact CD2-CD2 4.49Å; Y125-F128 HydrophobicContact CD2-CE2 4.47Å; Y125-F128 HydrophobicContact CE1-CZ 4.31Å; Y125-F128 HydrophobicContact CG-CD1 4.47Å; Y125-F128 HydrophobicContact CG-CD2 4.02Å; Y125-F128 HydrophobicContact CG-CE1 4.47Å; Y125-F128 HydrophobicContact CG-CE2 4.03Å; Y125-F128 HydrophobicContact CG-CG 4.25Å; Y125-F128 HydrophobicContact CG-CZ 4.26Å; Y125-F128 PolarHBondContact O-N 3.1Å; F128-W132 HydrophobicContact CD1-CE3 4.44Å; F128-W132 HydrophobicContact CD2-CB 4.43Å; F128-W132 HydrophobicContact CD2-CE3 4.14Å; F128-W132 HydrophobicContact CE2-CE3 4.45Å; F128-W132 HydrophobicContact CG-CE3 4.14Å; F128-I133 HydrophobicContact CB-CD1 4.24Å; F128-I133 HydrophobicContact CB-CG1 4.12Å; F128-I136 HydrophobicContact CE2-CD1 4.44Å; F128-I222 HydrophobicContact CE2-CD1 4.09Å; F128-F295 HydrophobicContact CD1-CB 4.28Å; F128-F295 HydrophobicContact CE1-CB 4.43Å; F128-F295 WeakPolarHBondContact CE1-O 3.3Å; F128-L297 HydrophobicContact CE1-CB 4.09Å; F128-L297 HydrophobicContact CE1-CD1 4.46Å; F128-L297 HydrophobicContact CE1-CG 4.46Å; F128-L297 HydrophobicContact CE2-CD1 4.17Å; F128-L297 HydrophobicContact CZ-CB 3.97Å; F128-L297 HydrophobicContact CZ-CD1 3.81Å; F128-L297 HydrophobicContact CZ-CG 3.84Å; F128-N322 VanDerWaalsContact O-CB 3.26Å; F128-N322 WeakPolarHBondContact O-CB 3.24Å; F128-N322 PolarHBondContact O-ND2 3.43Å
129P94.6Very high94Very high2 Ų231.1 Ų31.11%0.01316%0.158CC..  trans-59.9147.9169.2-25.136.1000112.1E131 W132 I133 F295 I323 L325P129-E131 PolarHBondContact O-N 3.48Å; P129-W132 HydrophobicContact CG-CD2 4.31Å; P129-W132 HydrophobicContact CG-CE3 4.45Å; P129-W132 PolarHBondContact O-N 3.18Å; P129-W132 VanDerWaalsContact O-N 3.1Å; P129-I133 PolarHBondContact O-N 3.22Å; P129-F295 HydrophobicContact CG-CD1 4.38Å; P129-F295 HydrophobicContact CG-CD2 4.4Å; P129-F295 HydrophobicContact CG-CE1 3.83Å; P129-F295 HydrophobicContact CG-CE2 3.84Å; P129-F295 HydrophobicContact CG-CZ 3.53Å; P129-I323 WeakPolarHBondContact CA-O 3.32Å; P129-L325 HydrophobicContact CB-CD2 3.51Å; P129-L325 HydrophobicContact CB-CG 3.75Å; P129-L325 HydrophobicContact CG-CD2 3.43Å; P129-L325 VanDerWaalsContact CG-CD2 3.43Å; P129-L325 HydrophobicContact CG-CG 4.24Å
130E95.1Very high94.1Very high20 Ų2030.7 Ų30.79%0.09316%0.156CC..Hα-helixtrans-59.5-35.2-175.6-174.962.1-158.600112.6R122 W132 I133 M134 P321 N322 I323R122-E130 IonicContact CZ-OE1 3.7Å; R122-E130 IonicContact CZ-OE2 2.82Å; R122-E130 IonicContact NE-OE1 2.72Å; R122-E130 IonicContact NE-OE2 3.6Å; R122-E130 PolarHBondContact NE-OE2 2.99Å; R122-E130 IonicContact NH2-OE1 3.68Å; R122-E130 PolarHBondContact NH2-OE1 3.09Å; R122-E130 IonicContact NH2-OE2 3.56Å; R122-E130 PolarHBondContact NH2-OE2 2.75Å; E130-W132 VanDerWaalsContact C-N 3.28Å; E130-W132 PolarHBondContact O-N 3.04Å; E130-I133 PolarHBondContact O-N 3.47Å; E130-I133 VanDerWaalsContact O-N 3.14Å; E130-M134 HydrophobicContact CG-CG 4.46Å; E130-M134 HydrophobicContact CG-SD 4.36Å; E130-M134 WeakPolarHBondContact O-CG 3.43Å; E130-M134 PolarHBondContact O-N 3.44Å; E130-P321 HydrophobicContact CG-CB 4.04Å; E130-P321 WeakPolarHBondContact OE2-CA 3.37Å; E130-N322 HydrophobicContact CB-CB 4.44Å; E130-N322 PolarHBondContact OE2-N 3.4Å; E130-I323 PolarHBondContact N-O 3.42Å; E130-I323 VanDerWaalsContact N-O 3.09Å
131E94.5Very high94.3Very high65 Ų6532.5 Ų32.530%0.30416%0.163SC..Hα-helixtrans-60.8-36.6179.1-67.4171.1-141.200112.2P129 M134 T135 L325P129-E131 PolarHBondContact O-N 3.48Å; E131-M134 WeakPolarHBondContact O-CB 3.42Å; E131-M134 PolarHBondContact O-N 2.83Å; E131-T135 WeakPolarHBondContact O-CG2 3.44Å; E131-T135 PolarHBondContact O-N 3.15Å; E131-L325 HydrophobicContact CB-CD1 4.15Å; E131-L325 HydrophobicContact CB-CG 4.36Å; E131-L325 WeakPolarHBondContact OE1-CB 3.45Å; E131-L325 PolarHBondContact OE1-N 2.64Å; E131-L325 VanDerWaalsContact OE1-N 3.11Å; E131-L325 WeakPolarHBondContact OE2-CD1 3.32Å
132W95.2Very high94.4Very high5 Ų533.7 Ų33.72%0.01917%0.172CC..Hα-helixtrans-73.1-34.1177.2-64.4-1.1000112.1F128 P129 E130 M134 T135 I136 I222 I224 I291 F295 L297F128-W132 HydrophobicContact CD1-CE3 4.44Å; F128-W132 HydrophobicContact CD2-CB 4.43Å; F128-W132 HydrophobicContact CD2-CE3 4.14Å; F128-W132 HydrophobicContact CE2-CE3 4.45Å; F128-W132 HydrophobicContact CG-CE3 4.14Å; P129-W132 HydrophobicContact CG-CD2 4.31Å; P129-W132 HydrophobicContact CG-CE3 4.45Å; P129-W132 PolarHBondContact O-N 3.18Å; P129-W132 VanDerWaalsContact O-N 3.1Å; E130-W132 VanDerWaalsContact C-N 3.28Å; E130-W132 PolarHBondContact O-N 3.04Å; W132-M134 VanDerWaalsContact C-N 3.33Å; W132-T135 PolarHBondContact O-N 3.06Å; W132-T135 PolarHBondContact O-OG1 3.32Å; W132-I136 WeakPolarHBondContact O-CD1 3.49Å; W132-I136 VanDerWaalsContact O-CG1 3.27Å; W132-I136 WeakPolarHBondContact O-CG1 3.29Å; W132-I136 PolarHBondContact O-N 3.11Å; W132-I222 HydrophobicContact CB-CD1 4.06Å; W132-I222 HydrophobicContact CB-CG1 4.32Å; W132-I222 HydrophobicContact CD2-CD1 4.24Å; W132-I222 HydrophobicContact CD2-CG2 3.57Å; W132-I222 VanDerWaalsContact CE2-CG2 3.45Å; W132-I222 HydrophobicContact CE3-CD1 4.12Å; W132-I222 HydrophobicContact CE3-CG2 4.16Å; W132-I222 HydrophobicContact CG-CD1 4.24Å; W132-I222 HydrophobicContact CG-CG1 4.35Å; W132-I222 HydrophobicContact CG-CG2 3.76Å; W132-I222 HydrophobicContact CH2-CG2 4.46Å; W132-I222 HydrophobicContact CZ2-CG2 3.95Å; W132-I224 HydrophobicContact CH2-CD1 4.17Å; W132-I224 HydrophobicContact CZ2-CD1 3.87Å; W132-I224 HydrophobicContact CZ2-CG1 3.9Å; W132-I291 HydrophobicContact CH2-CG2 3.97Å; W132-I291 HydrophobicContact CZ2-CG2 4.16Å; W132-F295 HydrophobicContact CH2-CB 4.38Å; W132-F295 AromaticContact CH2-CD2 3.42Å; W132-F295 HydrophobicContact CH2-CD2 3.42Å; W132-F295 VanDerWaalsContact CH2-CD2 3.42Å; W132-F295 HydrophobicContact CH2-CE2 4.04Å; W132-F295 HydrophobicContact CH2-CG 4.21Å; W132-F295 HydrophobicContact CZ2-CD2 4.29Å; W132-F295 HydrophobicContact CZ2-CE2 4.5Å; W132-F295 HydrophobicContact CZ3-CB 3.84Å; W132-F295 AromaticContact CZ3-CD2 3.64Å; W132-F295 HydrophobicContact CZ3-CD2 3.64Å; W132-F295 HydrophobicContact CZ3-CE2 4.47Å; W132-F295 AromaticContact CZ3-CG 3.96Å; W132-F295 HydrophobicContact CZ3-CG 3.96Å; W132-L297 HydrophobicContact CE3-CD1 3.94Å; W132-L297 HydrophobicContact CH2-CD1 4.32Å; W132-L297 HydrophobicContact CZ3-CD1 3.63Å
133I95.7Very high94.5Very high0 Ų035.5 Ų35.50%019%0.186CC..Hα-helixtrans-66.4-42.2174-64.2170.8000109.3Y118 L121 R122 F128 P129 E130 T135 I136 V137 N322Y118-I133 HydrophobicContact CD1-CG2 3.96Å; Y118-I133 HydrophobicContact CE1-CG2 4.48Å; L121-I133 HydrophobicContact CB-CG2 3.94Å; L121-I133 HydrophobicContact CD1-CG2 4.27Å; R122-I133 HydrophobicContact CB-CD1 4.46Å; R122-I133 HydrophobicContact CG-CD1 3.56Å; F128-I133 HydrophobicContact CB-CD1 4.24Å; F128-I133 HydrophobicContact CB-CG1 4.12Å; P129-I133 PolarHBondContact O-N 3.22Å; E130-I133 PolarHBondContact O-N 3.47Å; E130-I133 VanDerWaalsContact O-N 3.14Å; I133-T135 PolarHBondContact O-N 3.14Å; I133-I136 PolarHBondContact O-N 3.3Å; I133-V137 HydrophobicContact CG2-CG2 4.34Å; I133-V137 VanDerWaalsContact O-CG2 3.31Å; I133-V137 WeakPolarHBondContact O-CG2 3.45Å; I133-V137 PolarHBondContact O-N 3.03Å; I133-N322 HydrophobicContact CD1-CB 4.48Å; I133-N322 VanDerWaalsContact CD1-ND2 3.29Å; I133-N322 WeakPolarHBondContact CD1-ND2 3.13Å
134M95.8Very high94.7Very high72 Ų7237.3 Ų37.336%0.35520%0.199SC..Hα-helixtrans-59.3-42.9175-70175.465.300112.4Y118 E130 E131 W132 I136 V137 Q138Y118-M134 HydrophobicContact CE1-CG 3.99Å; E130-M134 HydrophobicContact CG-CG 4.46Å; E130-M134 HydrophobicContact CG-SD 4.36Å; E130-M134 WeakPolarHBondContact O-CG 3.43Å; E130-M134 PolarHBondContact O-N 3.44Å; E131-M134 WeakPolarHBondContact O-CB 3.42Å; E131-M134 PolarHBondContact O-N 2.83Å; W132-M134 VanDerWaalsContact C-N 3.33Å; M134-I136 VanDerWaalsContact C-N 3.35Å; M134-I136 PolarHBondContact O-N 3.12Å; M134-V137 PolarHBondContact O-N 3.3Å; M134-Q138 WeakPolarHBondContact O-CB 3.32Å; M134-Q138 WeakPolarHBondContact O-CG 3.25Å; M134-Q138 PolarHBondContact O-N 3.32Å
135T95.2Very high95Very high49 Ų4936.9 Ų36.930%0.30120%0.195SC..Hα-helixtrans-63.8-40.6177.757.40000111.9E131 W132 I133 Q138 Y139E131-T135 WeakPolarHBondContact O-CG2 3.44Å; E131-T135 PolarHBondContact O-N 3.15Å; W132-T135 PolarHBondContact O-N 3.06Å; W132-T135 PolarHBondContact O-OG1 3.32Å; I133-T135 PolarHBondContact O-N 3.14Å; T135-Q138 PolarHBondContact O-N 3.5Å; T135-Y139 WeakPolarHBondContact O-CB 3.49Å; T135-Y139 PolarHBondContact O-N 3.04Å
136I95.6Very high95.2Very high0 Ų036.1 Ų36.10%019%0.192CC..Hα-helixtrans-62-47.6174.9-64.3165.2000110.9L121 F128 W132 I133 M134 Q138 Y139 L140 L213 L218 L221 I222L121-I136 HydrophobicContact CD1-CB 4.25Å; L121-I136 HydrophobicContact CD1-CG2 3.71Å; L121-I136 HydrophobicContact CD2-CG2 4.26Å; F128-I136 HydrophobicContact CE2-CD1 4.44Å; W132-I136 WeakPolarHBondContact O-CD1 3.49Å; W132-I136 VanDerWaalsContact O-CG1 3.27Å; W132-I136 WeakPolarHBondContact O-CG1 3.29Å; W132-I136 PolarHBondContact O-N 3.11Å; I133-I136 PolarHBondContact O-N 3.3Å; M134-I136 VanDerWaalsContact C-N 3.35Å; M134-I136 PolarHBondContact O-N 3.12Å; I136-Q138 PolarHBondContact O-N 3.48Å; I136-Y139 WeakPolarHBondContact O-CB 3.2Å; I136-Y139 PolarHBondContact O-N 3.06Å; I136-L140 HydrophobicContact CG2-CD1 4.5Å; I136-L140 WeakPolarHBondContact O-CG 3.25Å; I136-L140 PolarHBondContact O-N 3.07Å; I136-L213 HydrophobicContact CG2-CD1 3.81Å; I136-L213 HydrophobicContact CG2-CD2 3.66Å; I136-L213 HydrophobicContact CG2-CG 4.41Å; I136-L218 HydrophobicContact CD1-CD2 4.14Å; I136-L218 HydrophobicContact CG1-CD2 4.25Å; I136-L221 HydrophobicContact CB-CD2 4.45Å; I136-L221 HydrophobicContact CG1-CD2 3.95Å; I136-I222 HydrophobicContact CD1-CD1 4.41Å
137V96.2Very high95.5Very high1 Ų132.7 Ų32.71%0.00617%0.17CC..Hα-helixtrans-63.9-42.1178.9174.40000111.2L117 Y118 L121 I133 M134 Y139 L140 K141L117-V137 HydrophobicContact CB-CG2 4.21Å; L117-V137 HydrophobicContact CD1-CG1 4.44Å; Y118-V137 HydrophobicContact CD1-CG2 3.92Å; Y118-V137 HydrophobicContact CE1-CB 4.09Å; Y118-V137 HydrophobicContact CE1-CG1 4.23Å; Y118-V137 HydrophobicContact CE1-CG2 3.84Å; Y118-V137 HydrophobicContact CE2-CG1 4Å; Y118-V137 HydrophobicContact CG-CG2 4.38Å; L121-V137 HydrophobicContact CD1-CG2 3.49Å; L121-V137 VanDerWaalsContact CD1-CG2 3.49Å; I133-V137 HydrophobicContact CG2-CG2 4.34Å; I133-V137 VanDerWaalsContact O-CG2 3.31Å; I133-V137 WeakPolarHBondContact O-CG2 3.45Å; I133-V137 PolarHBondContact O-N 3.03Å; M134-V137 PolarHBondContact O-N 3.3Å; V137-Y139 VanDerWaalsContact C-N 3.33Å; V137-Y139 PolarHBondContact O-N 3.37Å; V137-L140 PolarHBondContact O-N 3.2Å; V137-K141 HydrophobicContact CG1-CD 3.49Å; V137-K141 VanDerWaalsContact CG1-CD 3.49Å; V137-K141 HydrophobicContact CG1-CG 4.41Å; V137-K141 WeakPolarHBondContact O-CB 3.31Å; V137-K141 WeakPolarHBondContact O-CD 3.2Å; V137-K141 WeakPolarHBondContact O-CG 3.32Å; V137-K141 PolarHBondContact O-N 3.44Å
138Q95.9Very high95.8Very high118 Ų11832.7 Ų32.755%0.55117%0.168SC*.Hα-helixtrans-61.8-41.7176.2-76.6174.52.600111.8M134 T135 I136 K141 S142M134-Q138 WeakPolarHBondContact O-CB 3.32Å; M134-Q138 WeakPolarHBondContact O-CG 3.25Å; M134-Q138 PolarHBondContact O-N 3.32Å; T135-Q138 PolarHBondContact O-N 3.5Å; I136-Q138 PolarHBondContact O-N 3.48Å; Q138-K141 CarbonylContact O-C 3.27Å; Q138-K141 PolarHBondContact O-N 3.08Å; Q138-S142 PolarHBondContact O-N 3.19Å
139Y95.7Very high95.9Very high48 Ų4833.1 Ų33.119%0.18817%0.171CC..Hα-helixtrans-59.9-50.8175.1172.8-90.2000111.6T135 I136 V137 K141 S142 E145 R212 I216 L221T135-Y139 WeakPolarHBondContact O-CB 3.49Å; T135-Y139 PolarHBondContact O-N 3.04Å; I136-Y139 WeakPolarHBondContact O-CB 3.2Å; I136-Y139 PolarHBondContact O-N 3.06Å; V137-Y139 VanDerWaalsContact C-N 3.33Å; V137-Y139 PolarHBondContact O-N 3.37Å; Y139-K141 PolarHBondContact O-N 3.1Å; Y139-S142 VanDerWaalsContact O-CB 3.25Å; Y139-S142 WeakPolarHBondContact O-CB 3.24Å; Y139-S142 PolarHBondContact O-N 3.22Å; Y139-S142 VanDerWaalsContact O-N 3.08Å; Y139-S142 PolarHBondContact O-OG 2.71Å; Y139-E145 HydrophobicContact CD1-CG 4.46Å; Y139-E145 HydrophobicContact CE1-CG 3.8Å; Y139-E145 HydrophobicContact CE2-CG 3.94Å; Y139-E145 PolarHBondContact OH-OE1 3.41Å; Y139-E145 PolarHBondContact OH-OE2 3.2Å; Y139-R212 HydrophobicContact CE1-CG 4.41Å; Y139-I216 HydrophobicContact CD1-CD1 4.05Å; Y139-I216 HydrophobicContact CE1-CD1 3.04Å; Y139-I216 HydrophobicContact CE1-CG1 4.34Å; Y139-I216 HydrophobicContact CE2-CD1 4.44Å; Y139-I216 WeakPolarHBondContact OH-CD1 3.04Å; Y139-L221 HydrophobicContact CD2-CD1 3.91Å; Y139-L221 HydrophobicContact CG-CD1 4.04Å; Y139-L221 HydrophobicContact CG-CD2 4.15Å
140L95.9Very high96Very high1 Ų133 Ų331%0.00517%0.17CC..Hα-helixtrans-61.2-28178.7-73.1179.8000113.5L117 I136 V137 L146 I209 L210 R212 L213L117-L140 HydrophobicContact CD2-CD1 4.02Å; I136-L140 HydrophobicContact CG2-CD1 4.5Å; I136-L140 WeakPolarHBondContact O-CG 3.25Å; I136-L140 PolarHBondContact O-N 3.07Å; V137-L140 PolarHBondContact O-N 3.2Å; L140-L146 WeakPolarHBondContact O-CD2 3.29Å; L140-I209 HydrophobicContact CB-CG2 4.17Å; L140-I209 HydrophobicContact CD1-CG2 4.44Å; L140-I209 HydrophobicContact CD2-CG2 4.28Å; L140-I209 WeakPolarHBondContact CD2-O 3.29Å; L140-L210 HydrophobicContact CD1-CD2 4Å; L140-R212 HydrophobicContact CD2-CB 4.08Å; L140-L213 HydrophobicContact CD1-CD1 3.95Å; L140-L213 HydrophobicContact CD1-CD2 4.03Å; L140-L213 HydrophobicContact CD1-CG 3.97Å; L140-L213 HydrophobicContact CD2-CD2 3.69Å; L140-L213 HydrophobicContact CD2-CG 3.93Å; L140-L213 HydrophobicContact CG-CD2 3.85Å; L140-L213 HydrophobicContact CG-CG 4.24Å
141K95.3Very high96.1Very high38 Ų3834 Ų3417%0.16518%0.182CC..THydrogen-bonded Turntrans-96.91.6-178.4-63.8172.580.8-116.60112.7E114 L117 V137 Q138 Y139E114-K141 HydrophobicContact CG-CD 4.11Å; E114-K141 IonicContact OE1-NZ 3.51Å; E114-K141 PolarHBondContact OE1-NZ 2.83Å; L117-K141 HydrophobicContact CD1-CD 4.04Å; L117-K141 HydrophobicContact CD1-CG 4.13Å; V137-K141 HydrophobicContact CG1-CD 3.49Å; V137-K141 VanDerWaalsContact CG1-CD 3.49Å; V137-K141 HydrophobicContact CG1-CG 4.41Å; V137-K141 WeakPolarHBondContact O-CB 3.31Å; V137-K141 WeakPolarHBondContact O-CD 3.2Å; V137-K141 WeakPolarHBondContact O-CG 3.32Å; V137-K141 PolarHBondContact O-N 3.44Å; Q138-K141 CarbonylContact O-C 3.27Å; Q138-K141 PolarHBondContact O-N 3.08Å; Y139-K141 PolarHBondContact O-N 3.1Å
142S95.9Very high96.1Very high25 Ų2537.3 Ų37.318%0.17520%0.197CC..SBendtrans-61.4140.717469.20000110Q138 Y139 S144 E145 L146Q138-S142 PolarHBondContact O-N 3.19Å; Y139-S142 VanDerWaalsContact O-CB 3.25Å; Y139-S142 WeakPolarHBondContact O-CB 3.24Å; Y139-S142 PolarHBondContact O-N 3.22Å; Y139-S142 VanDerWaalsContact O-N 3.08Å; Y139-S142 PolarHBondContact O-OG 2.71Å; S142-S144 PolarHBondContact O-N 2.91Å; S142-S144 PolarHBondContact OG-OG 2.84Å; S142-E145 PolarHBondContact O-N 2.71Å; S142-E145 WeakPolarHBondContact OG-CB 3.48Å; S142-E145 VanDerWaalsContact OG-CG 3.23Å; S142-E145 WeakPolarHBondContact OG-CG 3.27Å; S142-E145 PolarHBondContact OG-N 3.46Å; S142-L146 PolarHBondContact O-N 3.2Å; S142-L146 VanDerWaalsContact O-N 3.1Å
143P96.6Very high96.1Very high59 Ų5937.7 Ų37.738%0.38320%0.199SC..Hα-helixtrans-63-26.9-178.325.1-33.8000112A147 D180 A183P143-A147 WeakPolarHBondContact O-CB 3.41Å; P143-A147 PolarHBondContact O-N 2.92Å; P143-D180 WeakPolarHBondContact CB-OD1 3.3Å; P143-A183 HydrophobicContact CB-CB 4.46Å
144S96.3Very high96Very high59 Ų5938.2 Ų38.241%0.41321%0.205SC..Hα-helixtrans-64.3-48174.946.50000112.5S142 F148S142-S144 PolarHBondContact O-N 2.91Å; S142-S144 PolarHBondContact OG-OG 2.84Å; S144-F148 WeakPolarHBondContact O-CB 3.16Å; S144-F148 PolarHBondContact O-N 3.31Å
145E96Very high96Very high25 Ų2534.8 Ų34.812%0.11719%0.188CC..Hα-helixtrans-72.1-42-178.3-64.7-58.414700111.3Y139 S142 A147 F148 I149 R212Y139-E145 HydrophobicContact CD1-CG 4.46Å; Y139-E145 HydrophobicContact CE1-CG 3.8Å; Y139-E145 HydrophobicContact CE2-CG 3.94Å; Y139-E145 PolarHBondContact OH-OE1 3.41Å; Y139-E145 PolarHBondContact OH-OE2 3.2Å; S142-E145 PolarHBondContact O-N 2.71Å; S142-E145 WeakPolarHBondContact OG-CB 3.48Å; S142-E145 VanDerWaalsContact OG-CG 3.23Å; S142-E145 WeakPolarHBondContact OG-CG 3.27Å; S142-E145 PolarHBondContact OG-N 3.46Å; E145-A147 VanDerWaalsContact C-N 3.34Å; E145-A147 PolarHBondContact O-N 3.33Å; E145-F148 WeakPolarHBondContact O-CB 3.4Å; E145-F148 PolarHBondContact O-N 3.12Å; E145-I149 WeakPolarHBondContact O-CG1 3.48Å; E145-I149 PolarHBondContact O-N 2.93Å; E145-R212 IonicContact OE2-CZ 3.57Å; E145-R212 IonicContact OE2-NE 3.03Å; E145-R212 PolarHBondContact OE2-NE 3.07Å; E145-R212 IonicContact OE2-NH2 3.33Å
146L97.8Very high96Very high2 Ų236.3 Ų36.31%0.0119%0.191CC..Hα-helixtrans-62.8-41.1175.1-65.8179.3000111.8F110 L140 S142 F148 I149 A150 A183 L186 M187 I209F110-L146 HydrophobicContact CE1-CD1 3.85Å; F110-L146 HydrophobicContact CZ-CD1 4.29Å; L140-L146 WeakPolarHBondContact O-CD2 3.29Å; S142-L146 PolarHBondContact O-N 3.2Å; S142-L146 VanDerWaalsContact O-N 3.1Å; L146-F148 VanDerWaalsContact C-N 3.34Å; L146-I149 PolarHBondContact O-N 3.42Å; L146-A150 VanDerWaalsContact O-CB 3.26Å; L146-A150 WeakPolarHBondContact O-CB 3.42Å; L146-A150 PolarHBondContact O-N 2.89Å; L146-A183 HydrophobicContact CB-CB 3.72Å; L146-A183 HydrophobicContact CD1-CB 4.19Å; L146-L186 HydrophobicContact CD2-CD2 4.32Å; L146-L186 WeakPolarHBondContact O-CD1 3.48Å; L146-M187 HydrophobicContact CD1-CG 4.02Å; L146-M187 HydrophobicContact CD1-SD 4.04Å; L146-M187 HydrophobicContact CD2-SD 4.13Å; L146-I209 HydrophobicContact CD2-CD1 4.32Å
147A97.4Very high95.9Very high3 Ų339.7 Ų39.73%0.02521%0.209CC..Hα-helixtrans-65.7-36.9175.200000112.4P143 E145 A150 A151 L179 L182P143-A147 WeakPolarHBondContact O-CB 3.41Å; P143-A147 PolarHBondContact O-N 2.92Å; E145-A147 VanDerWaalsContact C-N 3.34Å; E145-A147 PolarHBondContact O-N 3.33Å; A147-A150 PolarHBondContact O-N 3.35Å; A147-A151 WeakPolarHBondContact O-CB 3.36Å; A147-A151 PolarHBondContact O-N 3.07Å; A147-L179 HydrophobicContact CB-CB 4.05Å; A147-L179 HydrophobicContact CB-CD2 3.64Å; A147-L179 HydrophobicContact CB-CG 4.48Å; A147-L182 HydrophobicContact CB-CB 3.84Å; A147-L182 HydrophobicContact CB-CD1 4.1Å
148F96.6Very high95.8Very high89 Ų8940 Ų4039%0.3921%0.21SC..Hα-helixtrans-61.5-50.9174.9178.8-99000111.1S144 E145 L146 A150 A151 H152S144-F148 WeakPolarHBondContact O-CB 3.16Å; S144-F148 PolarHBondContact O-N 3.31Å; E145-F148 WeakPolarHBondContact O-CB 3.4Å; E145-F148 PolarHBondContact O-N 3.12Å; L146-F148 VanDerWaalsContact C-N 3.34Å; F148-A150 VanDerWaalsContact C-N 3.33Å; F148-A150 PolarHBondContact O-N 2.96Å; F148-A151 PolarHBondContact O-N 3.2Å; F148-H152 AromaticContact CD1-CD2 3.88Å; F148-H152 AromaticContact CD2-CD2 3.96Å; F148-H152 AromaticContact CD2-NE2 3.93Å; F148-H152 AromaticContact CE1-CD2 3.55Å; F148-H152 AromaticContact CE1-NE2 3.71Å; F148-H152 AromaticContact CE2-CD2 3.65Å; F148-H152 AromaticContact CE2-NE2 3.2Å; F148-H152 WeakPolarHBondContact CE2-NE2 3.44Å; F148-H152 AromaticContact CZ-CD2 3.43Å; F148-H152 VanDerWaalsContact CZ-CD2 3.43Å; F148-H152 WeakPolarHBondContact CZ-CD2 3.07Å; F148-H152 AromaticContact CZ-NE2 3.07Å; F148-H152 WeakPolarHBondContact CZ-NE2 3.27Å; F148-H152 PolarHBondContact O-CD2 3.08Å; F148-H152 VanDerWaalsContact O-CD2 3.26Å; F148-H152 PolarHBondContact O-N 3.42Å
149I96.9Very high95.8Very high14 Ų1434.8 Ų34.87%0.07219%0.186CC..Hα-helixtrans-59.3-45.5176.1-62.3162000110.3E145 L146 A151 H152 L153 L186 F208 I209E145-I149 WeakPolarHBondContact O-CG1 3.48Å; E145-I149 PolarHBondContact O-N 2.93Å; L146-I149 PolarHBondContact O-N 3.42Å; I149-A151 VanDerWaalsContact C-N 3.33Å; I149-A151 PolarHBondContact O-N 3.18Å; I149-H152 PolarHBondContact O-N 2.89Å; I149-L153 HydrophobicContact CG2-CD1 4.14Å; I149-L153 HydrophobicContact CG2-CG 4.48Å; I149-L153 WeakPolarHBondContact O-CG 3.19Å; I149-L153 PolarHBondContact O-N 3.45Å; I149-L186 HydrophobicContact CB-CD1 3.77Å; I149-L186 HydrophobicContact CG2-CD1 3.62Å; I149-F208 HydrophobicContact CG2-CB 4.19Å; I149-I209 HydrophobicContact CD1-CG1 4.39Å
150A97.1Very high95.6Very high0 Ų034 Ų340%019%0.185CC..Hα-helixtrans-60-42.4178.900000112.2L146 A147 F148 L153 G154 I155 L182 L186L146-A150 VanDerWaalsContact O-CB 3.26Å; L146-A150 WeakPolarHBondContact O-CB 3.42Å; L146-A150 PolarHBondContact O-N 2.89Å; A147-A150 PolarHBondContact O-N 3.35Å; F148-A150 VanDerWaalsContact C-N 3.33Å; F148-A150 PolarHBondContact O-N 2.96Å; A150-L153 PolarHBondContact O-N 3.16Å; A150-G154 PolarHBondContact O-N 3.11Å; A150-I155 HydrophobicContact CB-CB 4.05Å; A150-I155 HydrophobicContact CB-CD1 3.95Å; A150-I155 HydrophobicContact CB-CG1 4.47Å; A150-I155 HydrophobicContact CB-CG2 4.24Å; A150-I155 VanDerWaalsContact O-CB 3.28Å; A150-I155 WeakPolarHBondContact O-CB 3.39Å; A150-I155 PolarHBondContact O-N 3.44Å; A150-L182 HydrophobicContact CB-CB 4.01Å; A150-L186 HydrophobicContact CB-CB 4.09Å; A150-L186 HydrophobicContact CB-CD1 4Å
151A95.8Very high95.5Very high42 Ų4234.7 Ų34.735%0.34719%0.188SC..Hα-helixtrans-63-41.5176.800000111.7A147 F148 I149 L153 G154A147-A151 WeakPolarHBondContact O-CB 3.36Å; A147-A151 PolarHBondContact O-N 3.07Å; F148-A151 PolarHBondContact O-N 3.2Å; I149-A151 VanDerWaalsContact C-N 3.33Å; I149-A151 PolarHBondContact O-N 3.18Å; A151-L153 VanDerWaalsContact C-N 3.35Å; A151-G154 PolarHBondContact O-N 3.27Å
152H94.8Very high95.1Very high133 Ų13334.2 Ų34.262%0.61619%0.19SC*.Hα-helixtrans-67.2-32.4176.4-82.9-72.3000113.6F148 I149 G154F148-H152 AromaticContact CD1-CD2 3.88Å; F148-H152 AromaticContact CD2-CD2 3.96Å; F148-H152 AromaticContact CD2-NE2 3.93Å; F148-H152 AromaticContact CE1-CD2 3.55Å; F148-H152 AromaticContact CE1-NE2 3.71Å; F148-H152 AromaticContact CE2-CD2 3.65Å; F148-H152 AromaticContact CE2-NE2 3.2Å; F148-H152 WeakPolarHBondContact CE2-NE2 3.44Å; F148-H152 AromaticContact CZ-CD2 3.43Å; F148-H152 VanDerWaalsContact CZ-CD2 3.43Å; F148-H152 WeakPolarHBondContact CZ-CD2 3.07Å; F148-H152 AromaticContact CZ-NE2 3.07Å; F148-H152 WeakPolarHBondContact CZ-NE2 3.27Å; F148-H152 PolarHBondContact O-CD2 3.08Å; F148-H152 VanDerWaalsContact O-CD2 3.26Å; F148-H152 PolarHBondContact O-N 3.42Å; I149-H152 PolarHBondContact O-N 2.89Å; H152-G154 PolarHBondContact O-N 2.81Å
153L94.8Very high94.2Very high13 Ų1335.8 Ų35.87%0.06820%0.196CC..Hα-helixtrans-71.7-13.9171-68.7175.3000113R64 I65 I149 A150 A151 I155 F204 F208R64-L153 WeakPolarHBondContact CD-O 3.44Å; R64-L153 PolarHBondContact NH1-O 3.39Å; I65-L153 HydrophobicContact CG1-CD2 4.42Å; I149-L153 HydrophobicContact CG2-CD1 4.14Å; I149-L153 HydrophobicContact CG2-CG 4.48Å; I149-L153 WeakPolarHBondContact O-CG 3.19Å; I149-L153 PolarHBondContact O-N 3.45Å; A150-L153 PolarHBondContact O-N 3.16Å; A151-L153 VanDerWaalsContact C-N 3.35Å; L153-I155 HydrophobicContact CB-CD1 4.49Å; L153-I155 HydrophobicContact CB-CG1 4.29Å; L153-I155 HydrophobicContact CD1-CD1 4.45Å; L153-F204 HydrophobicContact CD1-CZ 3.9Å; L153-F208 HydrophobicContact CD2-CD1 3.79Å; L153-F208 HydrophobicContact CD2-CE1 3.57Å; L153-F208 HydrophobicContact CD2-CG 4.42Å; L153-F208 HydrophobicContact CD2-CZ 4.03Å
154G94.6Very high92.7Very high11 Ų1136.2 Ų36.211%0.11319%0.193CC..THydrogen-bonded Turntrans85.316.5-177.900000114.3A150 A151 H152 K156 D157A150-G154 PolarHBondContact O-N 3.11Å; A151-G154 PolarHBondContact O-N 3.27Å; H152-G154 PolarHBondContact O-N 2.81Å; G154-K156 PolarHBondContact O-N 3.04Å; G154-D157 PolarHBondContact O-N 3.41Å
155I96.3Very high90.9Very high1 Ų139 Ų391%0.00521%0.207CC..Hα-helixtrans-60.8-35.4175.1-69.2179.4000110.4F61 A150 L153 D157 I158 V159 L182 A185 L186F61-I155 HydrophobicContact CE2-CG1 3.6Å; F61-I155 HydrophobicContact CZ-CD1 4.24Å; F61-I155 HydrophobicContact CZ-CG1 3.66Å; A150-I155 HydrophobicContact CB-CB 4.05Å; A150-I155 HydrophobicContact CB-CD1 3.95Å; A150-I155 HydrophobicContact CB-CG1 4.47Å; A150-I155 HydrophobicContact CB-CG2 4.24Å; A150-I155 VanDerWaalsContact O-CB 3.28Å; A150-I155 WeakPolarHBondContact O-CB 3.39Å; A150-I155 PolarHBondContact O-N 3.44Å; L153-I155 HydrophobicContact CB-CD1 4.49Å; L153-I155 HydrophobicContact CB-CG1 4.29Å; L153-I155 HydrophobicContact CD1-CD1 4.45Å; I155-D157 PolarHBondContact O-N 2.81Å; I155-D157 VanDerWaalsContact O-N 3.08Å; I155-I158 PolarHBondContact O-N 3.39Å; I155-I158 VanDerWaalsContact O-N 3.08Å; I155-V159 HydrophobicContact CB-CG2 4.42Å; I155-V159 HydrophobicContact CG2-CB 4.49Å; I155-V159 HydrophobicContact CG2-CG2 3.19Å; I155-V159 VanDerWaalsContact O-CG2 3.3Å; I155-V159 WeakPolarHBondContact O-CG2 3.11Å; I155-V159 PolarHBondContact O-N 3.23Å; I155-L182 HydrophobicContact CG2-CD2 4.16Å; I155-A185 HydrophobicContact CG2-CB 3.73Å; I155-L186 HydrophobicContact CD1-CB 4.15Å
156K94.5Very high88.9Confident81 Ų8143 Ų4335%0.35223%0.229SC..Hα-helixtrans-50-36.1179-178.6-177.3177.3-1780114.5G154 P177 L182G154-K156 PolarHBondContact O-N 3.04Å; K156-P177 HydrophobicContact CG-CG 3.94Å; K156-L182 HydrophobicContact CB-CD2 4.15Å
157D92.8Very high86.8Confident71 Ų7148.3 Ų48.338%0.3825%0.25SC..Hα-helixtrans-86.4-20.1-174.4-69.6-20.1000113R46 W52 G154 I155R46-D157 HydrophobicContact CB-CB 3.88Å; R46-D157 HydrophobicContact CG-CB 4.25Å; W52-D157 HydrophobicContact CH2-CB 4.43Å; W52-D157 WeakPolarHBondContact CH2-O 3.23Å; G154-D157 PolarHBondContact O-N 3.41Å; I155-D157 PolarHBondContact O-N 2.81Å; I155-D157 VanDerWaalsContact O-N 3.08Å
158I94.3Very high84.9Confident6 Ų653.9 Ų53.93%0.03129%0.289CS..Hα-helixtrans-110.9-25.1-168.9-46.8178.2000112.5W52 L58 F61 L78 I155 L160W52-I158 HydrophobicContact CH2-CG1 4.33Å; L58-I158 HydrophobicContact CD2-CG2 3.62Å; L58-I158 HydrophobicContact CG-CG2 4.38Å; F61-I158 HydrophobicContact CB-CD1 3.52Å; F61-I158 HydrophobicContact CD2-CD1 4.04Å; F61-I158 HydrophobicContact CG-CD1 3.85Å; L78-I158 HydrophobicContact CD1-CB 4.36Å; L78-I158 HydrophobicContact CD1-CG2 3.66Å; I155-I158 PolarHBondContact O-N 3.39Å; I155-I158 VanDerWaalsContact O-N 3.08Å; I158-L160 PolarHBondContact O-N 2.72Å
159V95.5Very high82.8Confident10 Ų1052.4 Ų52.46%0.06129%0.29CS..  trans-59.7136.1179.5170.20000111.9L78 I155 Y161 V181 A185L78-V159 HydrophobicContact CD2-CG2 3.85Å; I155-V159 HydrophobicContact CB-CG2 4.42Å; I155-V159 HydrophobicContact CG2-CB 4.49Å; I155-V159 HydrophobicContact CG2-CG2 3.19Å; I155-V159 VanDerWaalsContact O-CG2 3.3Å; I155-V159 WeakPolarHBondContact O-CG2 3.11Å; I155-V159 PolarHBondContact O-N 3.23Å; V159-Y161 HydrophobicContact CG1-CD1 4.31Å; V159-V181 HydrophobicContact CG1-CG1 3.67Å; V159-A185 HydrophobicContact CG2-CB 3.62Å
160L93.6Very high81.1Confident30 Ų3058.6 Ų58.616%0.15732%0.323CS..BIsolated β-bridgetrans-95.1111.4174.6-61.5-179.6000109R54 L78 T79 D80 Y83 I158R54-L160 VanDerWaalsContact NH2-CD1 3.31Å; L78-L160 PolarHBondContact O-N 3.09Å; T79-L160 HydrophobicContact CG2-CB 4.32Å; T79-L160 HydrophobicContact CG2-CD1 3.77Å; D80-L160 WeakPolarHBondContact CB-O 3.17Å; D80-L160 PolarHBondContact N-O 3.11Å; Y83-L160 WeakPolarHBondContact CB-O 3.31Å; Y83-L160 HydrophobicContact CD1-CB 4.09Å; Y83-L160 HydrophobicContact CD2-CB 3.9Å; Y83-L160 HydrophobicContact CE1-CB 4.31Å; Y83-L160 HydrophobicContact CE1-CD1 4.04Å; Y83-L160 HydrophobicContact CE2-CB 4.11Å; Y83-L160 HydrophobicContact CE2-CD2 4.46Å; Y83-L160 HydrophobicContact CG-CB 3.88Å; I158-L160 PolarHBondContact O-N 2.72Å
161Y92.6Very high79.3Confident16 Ų1664 Ų646%0.06335%0.346CS..  trans-137.4166.2177.868.5-80.3000110.3V159 I173 A175 P177 V181V159-Y161 HydrophobicContact CG1-CD1 4.31Å; Y161-I173 HydrophobicContact CE2-CG2 4.08Å; Y161-I173 VanDerWaalsContact OH-CG2 3.32Å; Y161-I173 WeakPolarHBondContact OH-CG2 3.4Å; Y161-A175 PolarHBondContact OH-O 2.84Å; Y161-P177 HydrophobicContact CD1-CB 3.83Å; Y161-P177 HydrophobicContact CD2-CB 4.26Å; Y161-P177 HydrophobicContact CE1-CB 3.61Å; Y161-P177 HydrophobicContact CE1-CG 4Å; Y161-P177 HydrophobicContact CE2-CB 4.06Å; Y161-P177 HydrophobicContact CG-CB 4.15Å; Y161-P177 VanDerWaalsContact OH-CD 3.28Å; Y161-P177 WeakPolarHBondContact OH-CD 3.36Å; Y161-V181 HydrophobicContact CG-CG1 4.35Å
162S86.7Confident77.9Confident29 Ų2967.6 Ų67.620%0.20336%0.359CS..  trans-120.7133.7169.660.40000110.6S82S82-S162 VanDerWaalsContact CB-OG 3.32Å; S82-S162 WeakPolarHBondContact CB-OG 3.35Å; S82-S162 PolarHBondContact O-OG 2.86Å; S82-S162 VanDerWaalsContact O-OG 3.13Å; S82-S162 PolarHBondContact OG-N 3.3Å; S82-S162 VanDerWaalsContact OG-N 3.14Å
163D77.7Confident76.9Confident58 Ų5862.3 Ų62.331%0.3134%0.335SS..  trans-75.8-23-177.1-172.114.8000113.1S174 A175D163-S174 WeakPolarHBondContact OD2-CB 3.48Å; D163-S174 PolarHBondContact OD2-N 3.43Å; D163-S174 VanDerWaalsContact OD2-N 3.15Å; D163-A175 PolarHBondContact OD2-N 2.94Å
164Q64.9Low76Confident68 Ų6864.7 Ų64.732%0.31835%0.352SS..  trans-130.1148.6-165.9-57.9-150.5-60.100115.7D166Q164-D166 VanDerWaalsContact C-N 3.34Å
165V57.6Low75.6Confident117 Ų11765.7 Ų65.771%0.70936%0.359SS*.SBendtrans-75.7-22.3169.7-176.70000111.8Y167V165-Y167 WeakPolarHBondContact O-CD2 3.41Å; V165-Y167 WeakPolarHBondContact O-CE2 3.5Å; V165-Y167 PolarHBondContact O-N 3.28Å
166D55.4Low75.3Confident109 Ų10968.5 Ų68.558%0.58338%0.378SS*.  trans-85.594.4-174.3-61.7-22.2000111.5Q164 S168Q164-D166 VanDerWaalsContact C-N 3.34Å; D166-S168 PolarHBondContact O-N 2.94Å
167Y53.5Low75.2Confident113 Ų11365.2 Ų65.244%0.44336%0.364SS..THydrogen-bonded Turntrans-64.61-177.7-56.1-78.9000115.6F86 V89 V165F86-Y167 HydrophobicContact CB-CD1 4.48Å; F86-Y167 HydrophobicContact CB-CE1 4.34Å; F86-Y167 AromaticContact CD2-CD1 3.7Å; F86-Y167 HydrophobicContact CD2-CD1 3.7Å; F86-Y167 HydrophobicContact CD2-CE1 4.26Å; F86-Y167 HydrophobicContact CE2-CD1 4.39Å; F86-Y167 HydrophobicContact CG-CD1 4.45Å; V89-Y167 HydrophobicContact CB-CD1 4.15Å; V89-Y167 HydrophobicContact CB-CE1 4.49Å; V89-Y167 HydrophobicContact CG1-CD1 4.27Å; V89-Y167 HydrophobicContact CG1-CG 4.17Å; V89-Y167 HydrophobicContact CG2-CD1 4.19Å; V89-Y167 HydrophobicContact CG2-CE1 4.09Å; V165-Y167 WeakPolarHBondContact O-CD2 3.41Å; V165-Y167 WeakPolarHBondContact O-CE2 3.5Å; V165-Y167 PolarHBondContact O-N 3.28Å
168S57.1Low75.2Confident120 Ų12066.7 Ų66.784%0.83937%0.372SS*.THydrogen-bonded Turntrans-90.7-10.5-163.8-1740000115.8D166D166-S168 PolarHBondContact O-N 2.94Å
169S53.4Low75.3Confident59 Ų5971.2 Ų71.241%0.41340%0.396SS..SBendtrans-127.9140.2-175.862.40000112.3K171S169-K171 PolarHBondContact O-N 3.44Å
170N59.7Low75.3Confident144 Ų14475 Ų7577%0.7742%0.416SS*.  trans-67.460.6167.3-75.6-30.2000109.7K90K90-N170 PolarHBondContact NZ-OD1 2.95Å
171K60.6Low75.4Confident114 Ų11474.2 Ų74.250%0.49641%0.413SS..PPolyproline II helixtrans-83.6139.7-169-155179.9176.6172.70111.9S169S169-K171 PolarHBondContact O-N 3.44Å
172I65Low75.6Confident117 Ų11773.9 Ų73.960%0.641%0.412SS*.PPolyproline II helixtrans-64.8134.7168.6-59.3161.5000107.8S174I172-S174 PolarHBondContact O-N 3.21Å; I172-S174 VanDerWaalsContact O-N 3.16Å
173I73.9Confident76.2Confident22 Ų2272.6 Ų72.611%0.11340%0.403CS..PPolyproline II helixtrans-55.2119.9172.4-65.4-177.8000107.8Y43 P45 K47 Y161 A175Y43-I173 HydrophobicContact CD1-CG2 4Å; Y43-I173 HydrophobicContact CE1-CG2 3.88Å; P45-I173 HydrophobicContact CB-CD1 4.33Å; P45-I173 HydrophobicContact CG-CB 4.09Å; P45-I173 HydrophobicContact CG-CD1 4.13Å; P45-I173 HydrophobicContact CG-CG1 4.49Å; K47-I173 VanDerWaalsContact NZ-CD1 3.25Å; Y161-I173 HydrophobicContact CE2-CG2 4.08Å; Y161-I173 VanDerWaalsContact OH-CG2 3.32Å; Y161-I173 WeakPolarHBondContact OH-CG2 3.4Å; I173-A175 WeakPolarHBondContact CG2-O 3.22Å
174S76.1Confident77.1Confident63 Ų6373.3 Ų73.344%0.44140%0.404SS..  trans-99.5-18.9-172.5-170.60000113.2Y43 D163 I172Y43-S174 VanDerWaalsContact CB-O 3.31Å; Y43-S174 WeakPolarHBondContact CB-O 3.47Å; D163-S174 WeakPolarHBondContact OD2-CB 3.48Å; D163-S174 PolarHBondContact OD2-N 3.43Å; D163-S174 VanDerWaalsContact OD2-N 3.15Å; I172-S174 PolarHBondContact O-N 3.21Å; I172-S174 VanDerWaalsContact O-N 3.16Å
175A86.2Confident78.7Confident32 Ų3270 Ų7026%0.26439%0.389SS..SBendtrans-133.7155.3-176.400000111.3Y43 Y161 D163 I173Y43-A175 WeakPolarHBondContact CD1-O 3.49Å; Y43-A175 VanDerWaalsContact CE1-O 3.28Å; Y43-A175 WeakPolarHBondContact CE1-O 3.48Å; Y161-A175 PolarHBondContact OH-O 2.84Å; D163-A175 PolarHBondContact OD2-N 2.94Å; I173-A175 WeakPolarHBondContact CG2-O 3.22Å
176P90.6Very high80.6Confident60 Ų6064.5 Ų64.539%0.3936%0.355SS..PPolyproline II helixtrans-60.5161.8169.728.5-36.2000111.7Y43Y43-P176 HydrophobicContact CE2-CB 4.05Å
177P92.5Very high82.6Confident11 Ų1159.3 Ų59.37%0.07133%0.328CS..PPolyproline II helixtrans-60.6143.6178.524.1-31.4000111.2K156 Y161 V181 L182K156-P177 HydrophobicContact CG-CG 3.94Å; Y161-P177 HydrophobicContact CD1-CB 3.83Å; Y161-P177 HydrophobicContact CD2-CB 4.26Å; Y161-P177 HydrophobicContact CE1-CB 3.61Å; Y161-P177 HydrophobicContact CE1-CG 4Å; Y161-P177 HydrophobicContact CE2-CB 4.06Å; Y161-P177 HydrophobicContact CG-CB 4.15Å; Y161-P177 VanDerWaalsContact OH-CD 3.28Å; Y161-P177 WeakPolarHBondContact OH-CD 3.36Å; P177-V181 HydrophobicContact CB-CB 4.48Å; P177-V181 HydrophobicContact CB-CG1 4.27Å; P177-L182 HydrophobicContact CB-CD2 4.17Å; P177-L182 HydrophobicContact CB-CG 4.19Å; P177-L182 HydrophobicContact CG-CD1 4.16Å; P177-L182 HydrophobicContact CG-CD2 3.73Å; P177-L182 HydrophobicContact CG-CG 3.98Å
178N93.1Very high84.7Confident102 Ų10254 Ų5455%0.54531%0.307SS..PPolyproline II helixtrans-60153172.7-69.5-22.5000110.9D180 V181 L182N178-D180 VanDerWaalsContact C-N 3.25Å; N178-D180 PolarHBondContact O-N 3.13Å; N178-V181 HydrophobicContact CB-CG2 4.13Å; N178-V181 WeakPolarHBondContact O-CB 3.44Å; N178-V181 PolarHBondContact O-N 3.31Å; N178-V181 VanDerWaalsContact O-N 3.13Å; N178-L182 PolarHBondContact O-N 2.95Å
179L95.7Very high86.6Confident101 Ų10148.4 Ų48.453%0.52927%0.267SS..Hα-helixtrans-56.3-42.9178.4-61.6168.7000111A147 V181 L182 A183A147-L179 HydrophobicContact CB-CB 4.05Å; A147-L179 HydrophobicContact CB-CD2 3.64Å; A147-L179 HydrophobicContact CB-CG 4.48Å; L179-V181 VanDerWaalsContact C-N 3.32Å; L179-V181 PolarHBondContact O-N 3.23Å; L179-L182 PolarHBondContact O-N 3.37Å; L179-A183 PolarHBondContact O-N 3.27Å
180D95.5Very high88.7Confident91 Ų9145.6 Ų45.649%0.48725%0.248SC..Hα-helixtrans-61.5-40.1179.3-58.5-34.4000112.1P143 N178 L182 A183 H184P143-D180 WeakPolarHBondContact CB-OD1 3.3Å; N178-D180 VanDerWaalsContact C-N 3.25Å; N178-D180 PolarHBondContact O-N 3.13Å; D180-L182 VanDerWaalsContact C-N 3.32Å; D180-L182 PolarHBondContact O-N 3.43Å; D180-A183 PolarHBondContact O-N 3.19Å; D180-H184 WeakPolarHBondContact O-CB 3.25Å; D180-H184 PolarHBondContact O-N 3.3Å; D180-H184 PolarHBondContact O-ND1 3.32Å
181V95.8Very high90.5Very high13 Ų1338.7 Ų38.78%0.07921%0.211CC..Hα-helixtrans-62.1-42.8179.3171.30000110.7D80 V159 Y161 P177 N178 L179 A185D80-V181 HydrophobicContact CB-CG1 4.02Å; V159-V181 HydrophobicContact CG1-CG1 3.67Å; Y161-V181 HydrophobicContact CG-CG1 4.35Å; P177-V181 HydrophobicContact CB-CB 4.48Å; P177-V181 HydrophobicContact CB-CG1 4.27Å; N178-V181 HydrophobicContact CB-CG2 4.13Å; N178-V181 WeakPolarHBondContact O-CB 3.44Å; N178-V181 PolarHBondContact O-N 3.31Å; N178-V181 VanDerWaalsContact O-N 3.13Å; L179-V181 VanDerWaalsContact C-N 3.32Å; L179-V181 PolarHBondContact O-N 3.23Å; V181-A185 WeakPolarHBondContact O-CB 3.05Å; V181-A185 PolarHBondContact O-N 3.15Å
182L97.2Very high92.3Very high9 Ų933.6 Ų33.65%0.04719%0.19CC..Hα-helixtrans-67.3-42.1176.8-66.7179000112A147 A150 I155 K156 P177 N178 L179 D180 A185 L186A147-L182 HydrophobicContact CB-CB 3.84Å; A147-L182 HydrophobicContact CB-CD1 4.1Å; A150-L182 HydrophobicContact CB-CB 4.01Å; I155-L182 HydrophobicContact CG2-CD2 4.16Å; K156-L182 HydrophobicContact CB-CD2 4.15Å; P177-L182 HydrophobicContact CB-CD2 4.17Å; P177-L182 HydrophobicContact CB-CG 4.19Å; P177-L182 HydrophobicContact CG-CD1 4.16Å; P177-L182 HydrophobicContact CG-CD2 3.73Å; P177-L182 HydrophobicContact CG-CG 3.98Å; N178-L182 PolarHBondContact O-N 2.95Å; L179-L182 PolarHBondContact O-N 3.37Å; D180-L182 VanDerWaalsContact C-N 3.32Å; D180-L182 PolarHBondContact O-N 3.43Å; L182-A185 PolarHBondContact O-N 3.08Å; L182-L186 PolarHBondContact O-N 2.78Å
183A97.9Very high93.8Very high2 Ų228 Ų282%0.01716%0.161CC..Hα-helixtrans-62.3-47.1176.700000111.5P143 L146 L179 D180 A185 L186 M187P143-A183 HydrophobicContact CB-CB 4.46Å; L146-A183 HydrophobicContact CB-CB 3.72Å; L146-A183 HydrophobicContact CD1-CB 4.19Å; L179-A183 PolarHBondContact O-N 3.27Å; D180-A183 PolarHBondContact O-N 3.19Å; A183-A185 VanDerWaalsContact C-N 3.34Å; A183-A185 PolarHBondContact O-N 3.02Å; A183-L186 PolarHBondContact O-N 3.46Å; A183-M187 VanDerWaalsContact O-CG 3.29Å; A183-M187 WeakPolarHBondContact O-CG 3.49Å; A183-M187 PolarHBondContact O-N 2.84Å
184H97.7Very high94.8Very high72 Ų7228 Ų2833%0.33317%0.165SC..Hα-helixtrans-62.4-39.8177.1-74.982.5000111.9A106 D180 M187 A188A106-H184 HydrophobicContact CB-CB 4.21Å; D180-H184 WeakPolarHBondContact O-CB 3.25Å; D180-H184 PolarHBondContact O-N 3.3Å; D180-H184 PolarHBondContact O-ND1 3.32Å; H184-M187 PolarHBondContact O-N 3.26Å; H184-A188 WeakPolarHBondContact O-CB 3.23Å; H184-A188 PolarHBondContact O-N 3.12Å
185A97.7Very high95.7Very high0 Ų031.2 Ų31.20%017%0.171CC..Hα-helixtrans-64.8-41.2176.600000112.6I155 V159 V181 L182 A183 A188 L189I155-A185 HydrophobicContact CG2-CB 3.73Å; V159-A185 HydrophobicContact CG2-CB 3.62Å; V181-A185 WeakPolarHBondContact O-CB 3.05Å; V181-A185 PolarHBondContact O-N 3.15Å; L182-A185 PolarHBondContact O-N 3.08Å; A183-A185 VanDerWaalsContact C-N 3.34Å; A183-A185 PolarHBondContact O-N 3.02Å; A185-A188 PolarHBondContact O-N 3.4Å; A185-L189 PolarHBondContact O-N 3.45Å
186L97.7Very high95.9Very high0 Ų033.7 Ų33.70%018%0.179CC..Hα-helixtrans-63.8-46.9174.2-173.6163.1000110.9L146 I149 A150 I155 L182 A183 A188 L189 V190 F204 I209L146-L186 HydrophobicContact CD2-CD2 4.32Å; L146-L186 WeakPolarHBondContact O-CD1 3.48Å; I149-L186 HydrophobicContact CB-CD1 3.77Å; I149-L186 HydrophobicContact CG2-CD1 3.62Å; A150-L186 HydrophobicContact CB-CB 4.09Å; A150-L186 HydrophobicContact CB-CD1 4Å; I155-L186 HydrophobicContact CD1-CB 4.15Å; L182-L186 PolarHBondContact O-N 2.78Å; A183-L186 PolarHBondContact O-N 3.46Å; L186-A188 VanDerWaalsContact C-N 3.32Å; L186-A188 PolarHBondContact O-N 2.9Å; L186-L189 VanDerWaalsContact O-CB 3.29Å; L186-L189 WeakPolarHBondContact O-CB 3.23Å; L186-L189 PolarHBondContact O-N 3.43Å; L186-L189 VanDerWaalsContact O-N 3.13Å; L186-V190 HydrophobicContact CD2-CG2 4.11Å; L186-V190 PolarHBondContact O-N 3.49Å; L186-F204 HydrophobicContact CD2-CE1 4.43Å; L186-I209 HydrophobicContact CD2-CD1 4.14Å
187M98.1Very high96Very high1 Ų136.3 Ų36.31%0.00518%0.184CC..Hα-helixtrans-67.4-34.2179.2-63.6-50.4-72.300112A106 G109 F110 S113 L146 A183 H184 L189 V190 G191A106-M187 HydrophobicContact CB-CB 4.45Å; G109-M187 VanDerWaalsContact CA-O 3.29Å; G109-M187 WeakPolarHBondContact CA-O 3.49Å; G109-M187 WeakPolarHBondContact O-CE 3.41Å; F110-M187 VanDerWaalsContact CA-CE 3.41Å; F110-M187 HydrophobicContact CB-CE 4.24Å; F110-M187 HydrophobicContact CD1-CE 3.62Å; F110-M187 HydrophobicContact CD1-CG 3.96Å; F110-M187 HydrophobicContact CD1-SD 4.45Å; F110-M187 HydrophobicContact CD2-CB 4.05Å; F110-M187 HydrophobicContact CD2-CG 4.14Å; F110-M187 HydrophobicContact CE1-CE 4.14Å; F110-M187 HydrophobicContact CE1-CG 3.64Å; F110-M187 HydrophobicContact CE1-SD 4.4Å; F110-M187 HydrophobicContact CE2-CB 3.92Å; F110-M187 HydrophobicContact CE2-CG 3.81Å; F110-M187 HydrophobicContact CG-CB 4.41Å; F110-M187 HydrophobicContact CG-CE 3.91Å; F110-M187 HydrophobicContact CG-CG 4.2Å; F110-M187 HydrophobicContact CZ-CB 4.19Å; F110-M187 HydrophobicContact CZ-CG 3.56Å; S113-M187 WeakPolarHBondContact OG-CE 3.32Å; L146-M187 HydrophobicContact CD1-CG 4.02Å; L146-M187 HydrophobicContact CD1-SD 4.04Å; L146-M187 HydrophobicContact CD2-SD 4.13Å; A183-M187 VanDerWaalsContact O-CG 3.29Å; A183-M187 WeakPolarHBondContact O-CG 3.49Å; A183-M187 PolarHBondContact O-N 2.84Å; H184-M187 PolarHBondContact O-N 3.26Å; M187-L189 VanDerWaalsContact C-N 3.29Å; M187-L189 PolarHBondContact O-N 3.41Å; M187-V190 WeakPolarHBondContact O-CB 3.42Å; M187-V190 PolarHBondContact O-N 3.34Å; M187-G191 PolarHBondContact O-N 3.49Å
188A97.9Very high96.1Very high0 Ų041.2 Ų41.20%021%0.208CC..Hα-helixtrans-63.5-36.3172.100000112.1V77 N102 L105 A106 H184 A185 L186 G191 A192V77-A188 HydrophobicContact CG1-CB 4.11Å; N102-A188 HydrophobicContact CB-CB 3.76Å; L105-A188 HydrophobicContact CB-CB 3.83Å; A106-A188 HydrophobicContact CB-CB 4.22Å; H184-A188 WeakPolarHBondContact O-CB 3.23Å; H184-A188 PolarHBondContact O-N 3.12Å; A185-A188 PolarHBondContact O-N 3.4Å; L186-A188 VanDerWaalsContact C-N 3.32Å; L186-A188 PolarHBondContact O-N 2.9Å; A188-G191 PolarHBondContact O-N 3.34Å; A188-A192 WeakPolarHBondContact O-CB 3.28Å; A188-A192 PolarHBondContact O-N 2.85Å
189L97Very high96Very high3 Ų342.7 Ų42.72%0.01621%0.212CC..Hα-helixtrans-62.6-45.2172.6-178.671.6000111F61 I65 L69 V77 A185 L186 M187 G191 A192 L193 F204F61-L189 HydrophobicContact CZ-CD2 4.38Å; I65-L189 HydrophobicContact CD1-CD2 3.74Å; L69-L189 HydrophobicContact CD1-CD1 3.65Å; V77-L189 HydrophobicContact CG1-CB 3.87Å; V77-L189 HydrophobicContact CG1-CD1 4.3Å; A185-L189 PolarHBondContact O-N 3.45Å; L186-L189 VanDerWaalsContact O-CB 3.29Å; L186-L189 WeakPolarHBondContact O-CB 3.23Å; L186-L189 PolarHBondContact O-N 3.43Å; L186-L189 VanDerWaalsContact O-N 3.13Å; M187-L189 VanDerWaalsContact C-N 3.29Å; M187-L189 PolarHBondContact O-N 3.41Å; L189-G191 VanDerWaalsContact C-N 3.33Å; L189-G191 PolarHBondContact O-N 2.91Å; L189-A192 PolarHBondContact O-N 3.37Å; L189-L193 HydrophobicContact CG-CD1 4.43Å; L189-L193 WeakPolarHBondContact O-CG 3.3Å; L189-L193 PolarHBondContact O-N 3.22Å; L189-F204 HydrophobicContact CD2-CE1 4.43Å; L189-F204 HydrophobicContact CD2-CE2 3.86Å; L189-F204 HydrophobicContact CD2-CZ 3.61Å
190V97.6Very high95.9Very high0 Ų040.1 Ų40.10%020%0.196CC..Hα-helixtrans-59.9-44.3174.2177.30000111L186 M187 A192 L193 A194 A201 F204 I205L186-V190 HydrophobicContact CD2-CG2 4.11Å; L186-V190 PolarHBondContact O-N 3.49Å; M187-V190 WeakPolarHBondContact O-CB 3.42Å; M187-V190 PolarHBondContact O-N 3.34Å; V190-A192 PolarHBondContact O-N 3.17Å; V190-L193 PolarHBondContact O-N 2.94Å; V190-A194 WeakPolarHBondContact O-CB 3.25Å; V190-A194 PolarHBondContact O-N 3.47Å; V190-A201 HydrophobicContact CG1-CB 4.32Å; V190-F204 HydrophobicContact CG2-CD1 3.66Å; V190-F204 HydrophobicContact CG2-CE1 3.73Å; V190-I205 HydrophobicContact CG1-CD1 3.87Å; V190-I205 HydrophobicContact CG1-CG1 4Å; V190-I205 HydrophobicContact CG2-CG1 4.49Å
191G97.6Very high95.8Very high0 Ų035.8 Ų35.80%017%0.173CC..Hα-helixtrans-64-36.8176.800000113.3M187 A188 L189 A194 K195M187-G191 PolarHBondContact O-N 3.49Å; A188-G191 PolarHBondContact O-N 3.34Å; L189-G191 VanDerWaalsContact C-N 3.33Å; L189-G191 PolarHBondContact O-N 2.91Å; G191-A194 PolarHBondContact O-N 3.46Å; G191-K195 PolarHBondContact O-N 3.26Å; G191-K195 VanDerWaalsContact O-N 3.12Å
192A96.9Very high95.7Very high6 Ų636.4 Ų36.45%0.0518%0.175CC..Hα-helixtrans-68-42.7174.400000112V77 A188 L189 V190 A194 K195 D196V77-A192 HydrophobicContact CG2-CB 3.52Å; A188-A192 WeakPolarHBondContact O-CB 3.28Å; A188-A192 PolarHBondContact O-N 2.85Å; L189-A192 PolarHBondContact O-N 3.37Å; V190-A192 PolarHBondContact O-N 3.17Å; A192-A194 VanDerWaalsContact C-N 3.3Å; A192-A194 PolarHBondContact O-N 2.83Å; A192-K195 PolarHBondContact O-N 3.48Å; A192-D196 PolarHBondContact O-N 2.84Å
193L96.2Very high95.5Very high0 Ų039 Ų390%019%0.188CC..Hα-helixtrans-61.5-40.1173.5-70170.2000111.3E67 L69 L189 V190 K195 D196 K197 A201 F204E67-L193 HydrophobicContact CB-CD2 4.08Å; E67-L193 HydrophobicContact CG-CD1 4.48Å; E67-L193 HydrophobicContact CG-CD2 3.77Å; L69-L193 HydrophobicContact CD1-CD2 4.33Å; L69-L193 HydrophobicContact CD2-CD2 3.97Å; L69-L193 HydrophobicContact CG-CD2 4.31Å; L189-L193 HydrophobicContact CG-CD1 4.43Å; L189-L193 WeakPolarHBondContact O-CG 3.3Å; L189-L193 PolarHBondContact O-N 3.22Å; V190-L193 PolarHBondContact O-N 2.94Å; L193-K195 VanDerWaalsContact C-N 3.3Å; L193-K195 PolarHBondContact O-N 3.47Å; L193-D196 PolarHBondContact O-N 3.31Å; L193-K197 CarbonylContact O-C 3.46Å; L193-K197 PolarHBondContact O-N 3.21Å; L193-A201 HydrophobicContact CB-CB 4.2Å; L193-F204 HydrophobicContact CD1-CB 3.9Å; L193-F204 HydrophobicContact CD1-CD1 4.44Å; L193-F204 HydrophobicContact CD1-CD2 3.77Å; L193-F204 HydrophobicContact CD1-CE2 4.45Å; L193-F204 HydrophobicContact CD1-CG 3.77Å
194A95.8Very high95.4Very high22 Ų2239.1 Ų39.118%0.18219%0.189CC..Hα-helixtrans-65.1-32178.200000113.1V112 V190 G191 A192 A201V112-A194 HydrophobicContact CG1-CB 4.26Å; V112-A194 HydrophobicContact CG2-CB 3.91Å; V190-A194 WeakPolarHBondContact O-CB 3.25Å; V190-A194 PolarHBondContact O-N 3.47Å; G191-A194 PolarHBondContact O-N 3.46Å; A192-A194 VanDerWaalsContact C-N 3.3Å; A192-A194 PolarHBondContact O-N 2.83Å; A194-A201 HydrophobicContact CB-CB 3.86Å
195K94.4Very high95.3Very high131 Ų13135.7 Ų35.757%0.5717%0.173SC*.Hα-helixtrans-67.5-34.7173.9-77.3-175.8175.4-178.20112.9L105 G191 A192 L193L105-K195 HydrophobicContact CD2-CD 3.7Å; L105-K195 VanDerWaalsContact CD2-CE 3.44Å; L105-K195 VanDerWaalsContact CD2-NZ 3.27Å; G191-K195 PolarHBondContact O-N 3.26Å; G191-K195 VanDerWaalsContact O-N 3.12Å; A192-K195 PolarHBondContact O-N 3.48Å; L193-K195 VanDerWaalsContact C-N 3.3Å; L193-K195 PolarHBondContact O-N 3.47Å
196D92Very high95.1Very high83 Ų8336.8 Ų36.844%0.44418%0.177SC..Hα-helixtrans-76.1-61.7174.8-179.727.6000110.3A192 L193 K200A192-D196 PolarHBondContact O-N 2.84Å; L193-D196 PolarHBondContact O-N 3.31Å; D196-K200 IonicContact OD2-NZ 3.11Å; D196-K200 PolarHBondContact OD2-NZ 3.33Å
197K92.2Very high94.9Very high115 Ų11540 Ų4050%0.519%0.194SC..  trans-149126.4176.4-61.5-172-176.4-175.20111.3L193 E199 K200 A201L193-K197 CarbonylContact O-C 3.46Å; L193-K197 PolarHBondContact O-N 3.21Å; K197-E199 VanDerWaalsContact C-N 3.3Å; K197-E199 PolarHBondContact O-N 2.93Å; K197-K200 HydrophobicContact CB-CB 4.45Å; K197-K200 HydrophobicContact CB-CD 4.12Å; K197-K200 HydrophobicContact CB-CG 4.03Å; K197-K200 WeakPolarHBondContact O-CB 3.46Å; K197-K200 PolarHBondContact O-N 3.44Å; K197-K200 VanDerWaalsContact O-N 3.14Å; K197-A201 PolarHBondContact O-N 3.13Å
198M93Very high94.7Very high115 Ų11542.7 Ų42.757%0.56721%0.206SC*.Hα-helixtrans-57.9-39.6178.2-178.2167.2-82.600113K200 A201 H202M198-K200 VanDerWaalsContact C-N 3.31Å; M198-K200 PolarHBondContact O-N 3.07Å; M198-A201 WeakPolarHBondContact O-CB 3.43Å; M198-A201 PolarHBondContact O-N 2.94Å; M198-A201 VanDerWaalsContact O-N 3.15Å; M198-H202 VanDerWaalsContact CG-NE2 3.28Å; M198-H202 WeakPolarHBondContact CG-NE2 3.15Å; M198-H202 PolarHBondContact O-N 3Å; M198-H202 VanDerWaalsContact O-N 3.08Å
199E91.9Very high94.5Very high133 Ų13342.8 Ų42.862%0.62121%0.206SC*.Hα-helixtrans-57.3-40.4177-66.5168.7-17100112.9K197 A201 H202 L203K197-E199 VanDerWaalsContact C-N 3.3Å; K197-E199 PolarHBondContact O-N 2.93Å; E199-A201 PolarHBondContact O-N 3.13Å; E199-H202 PolarHBondContact O-N 2.82Å; E199-L203 WeakPolarHBondContact O-CG 3.29Å; E199-L203 PolarHBondContact O-N 3.22Å
200K92.7Very high94.4Very high46 Ų4642.7 Ų42.720%0.221%0.206CC..Hα-helixtrans-65-40.8178.2-68.8-179.6174.5-1760111.6E67 D196 K197 M198 H202 L203 F204E67-K200 IonicContact OE2-NZ 2.53Å; D196-K200 IonicContact OD2-NZ 3.11Å; D196-K200 PolarHBondContact OD2-NZ 3.33Å; K197-K200 HydrophobicContact CB-CB 4.45Å; K197-K200 HydrophobicContact CB-CD 4.12Å; K197-K200 HydrophobicContact CB-CG 4.03Å; K197-K200 WeakPolarHBondContact O-CB 3.46Å; K197-K200 PolarHBondContact O-N 3.44Å; K197-K200 VanDerWaalsContact O-N 3.14Å; M198-K200 VanDerWaalsContact C-N 3.31Å; M198-K200 PolarHBondContact O-N 3.07Å; K200-H202 VanDerWaalsContact C-N 3.33Å; K200-H202 PolarHBondContact O-N 3.46Å; K200-L203 PolarHBondContact O-N 2.9Å; K200-F204 WeakPolarHBondContact O-CB 3.37Å; K200-F204 PolarHBondContact O-N 2.98Å
201A94.8Very high94.2Very high0 Ų044.8 Ų44.80%022%0.219CC..Hα-helixtrans-63.1-41.5176.300000111.3V112 V190 L193 A194 K197 M198 E199 F204 I205V112-A201 HydrophobicContact CG1-CB 4.2Å; V190-A201 HydrophobicContact CG1-CB 4.32Å; L193-A201 HydrophobicContact CB-CB 4.2Å; A194-A201 HydrophobicContact CB-CB 3.86Å; K197-A201 PolarHBondContact O-N 3.13Å; M198-A201 WeakPolarHBondContact O-CB 3.43Å; M198-A201 PolarHBondContact O-N 2.94Å; M198-A201 VanDerWaalsContact O-N 3.15Å; E199-A201 PolarHBondContact O-N 3.13Å; A201-F204 PolarHBondContact O-N 3.03Å; A201-I205 WeakPolarHBondContact O-CD1 3.31Å; A201-I205 WeakPolarHBondContact O-CG1 3.46Å; A201-I205 PolarHBondContact O-N 3.44Å
202H94.1Very high93.9Very high26 Ų2647.2 Ų47.212%0.1223%0.228CC..Hα-helixtrans-64.1-44.1176.1-65.4-26.5000112.9F116 M198 E199 K200 F204 I205 R206 L310F116-H202 HydrophobicContact CD2-CB 3.79Å; F116-H202 AromaticContact CD2-CE1 3.79Å; F116-H202 AromaticContact CD2-CG 3.45Å; F116-H202 VanDerWaalsContact CD2-CG 3.45Å; F116-H202 AromaticContact CD2-ND1 3.3Å; F116-H202 VanDerWaalsContact CD2-ND1 3.3Å; F116-H202 WeakPolarHBondContact CD2-ND1 3.25Å; F116-H202 HydrophobicContact CE2-CB 3.61Å; F116-H202 AromaticContact CE2-CG 3.78Å; F116-H202 HydrophobicContact CG-CB 4.36Å; F116-H202 AromaticContact CG-ND1 3.46Å; F116-H202 WeakPolarHBondContact CG-ND1 3.33Å; F116-H202 HydrophobicContact CZ-CB 4.02Å; M198-H202 VanDerWaalsContact CG-NE2 3.28Å; M198-H202 WeakPolarHBondContact CG-NE2 3.15Å; M198-H202 PolarHBondContact O-N 3Å; M198-H202 VanDerWaalsContact O-N 3.08Å; E199-H202 PolarHBondContact O-N 2.82Å; K200-H202 VanDerWaalsContact C-N 3.33Å; K200-H202 PolarHBondContact O-N 3.46Å; H202-F204 VanDerWaalsContact C-N 3.33Å; H202-F204 PolarHBondContact O-N 2.77Å; H202-I205 PolarHBondContact O-N 3.39Å; H202-R206 WeakPolarHBondContact O-CB 3.48Å; H202-R206 PolarHBondContact O-N 2.92Å; H202-L310 HydrophobicContact CB-CD1 3.68Å
203L93Very high93.6Very high63 Ų6347 Ų4733%0.3323%0.226SC..Hα-helixtrans-60.2-44.6173.8-69.5170.7000111.1E199 K200 I205 R206 D207 L310E199-L203 WeakPolarHBondContact O-CG 3.29Å; E199-L203 PolarHBondContact O-N 3.22Å; K200-L203 PolarHBondContact O-N 2.9Å; L203-I205 PolarHBondContact O-N 3.18Å; L203-R206 PolarHBondContact O-N 3.36Å; L203-D207 WeakPolarHBondContact O-CB 3.42Å; L203-D207 PolarHBondContact O-N 3.04Å; L203-L310 HydrophobicContact CD2-CD1 3.59Å; L203-L310 HydrophobicContact CD2-CG 3.91Å; L203-L310 HydrophobicContact CG-CD1 3.83Å
204F94.8Very high93.2Very high5 Ų550.7 Ų50.72%0.02225%0.252CS..Hα-helixtrans-60.9-44.6176.8-175.8-84.6000112.4I65 L153 L186 L189 V190 L193 K200 A201 H202 R206 D207 F208I65-F204 HydrophobicContact CG2-CD2 4.09Å; I65-F204 HydrophobicContact CG2-CE2 3.75Å; L153-F204 HydrophobicContact CD1-CZ 3.9Å; L186-F204 HydrophobicContact CD2-CE1 4.43Å; L189-F204 HydrophobicContact CD2-CE1 4.43Å; L189-F204 HydrophobicContact CD2-CE2 3.86Å; L189-F204 HydrophobicContact CD2-CZ 3.61Å; V190-F204 HydrophobicContact CG2-CD1 3.66Å; V190-F204 HydrophobicContact CG2-CE1 3.73Å; L193-F204 HydrophobicContact CD1-CB 3.9Å; L193-F204 HydrophobicContact CD1-CD1 4.44Å; L193-F204 HydrophobicContact CD1-CD2 3.77Å; L193-F204 HydrophobicContact CD1-CE2 4.45Å; L193-F204 HydrophobicContact CD1-CG 3.77Å; K200-F204 WeakPolarHBondContact O-CB 3.37Å; K200-F204 PolarHBondContact O-N 2.98Å; A201-F204 PolarHBondContact O-N 3.03Å; H202-F204 VanDerWaalsContact C-N 3.33Å; H202-F204 PolarHBondContact O-N 2.77Å; F204-R206 VanDerWaalsContact C-N 3.33Å; F204-R206 PolarHBondContact O-N 3.48Å; F204-D207 PolarHBondContact O-N 3.39Å; F204-F208 HydrophobicContact CD1-CD2 4.16Å; F204-F208 AromaticContact CD2-CD2 3.41Å; F204-F208 HydrophobicContact CD2-CD2 3.41Å; F204-F208 VanDerWaalsContact CD2-CD2 3.41Å; F204-F208 AromaticContact CD2-CE2 3.49Å; F204-F208 HydrophobicContact CD2-CE2 3.49Å; F204-F208 VanDerWaalsContact CD2-CE2 3.49Å; F204-F208 HydrophobicContact CE1-CB 4.5Å; F204-F208 HydrophobicContact CE1-CD2 4.08Å; F204-F208 AromaticContact CE2-CD2 3.3Å; F204-F208 HydrophobicContact CE2-CD2 3.3Å; F204-F208 AromaticContact CE2-CE2 3.4Å; F204-F208 HydrophobicContact CE2-CE2 3.4Å; F204-F208 VanDerWaalsContact CE2-CE2 3.4Å; F204-F208 HydrophobicContact CE2-CG 4.32Å; F204-F208 HydrophobicContact CE2-CZ 4.48Å; F204-F208 AromaticContact CG-CD2 3.84Å; F204-F208 HydrophobicContact CG-CD2 3.84Å; F204-F208 HydrophobicContact CG-CE2 4.32Å; F204-F208 AromaticContact CZ-CD2 3.66Å; F204-F208 HydrophobicContact CZ-CD2 3.66Å; F204-F208 HydrophobicContact CZ-CE2 4.19Å; F204-F208 HydrophobicContact CZ-CG 4.31Å; F204-F208 WeakPolarHBondContact O-CD2 3.12Å; F204-F208 PolarHBondContact O-N 3.38Å
205I95.6Very high92.8Very high0 Ų054.8 Ų54.80%027%0.271CS..Iπ-helixtrans-62.3-42.2176.6-66.2157.4000110.4V112 F116 L117 V190 A201 H202 L203 I209 L210V112-I205 HydrophobicContact CG1-CD1 4.26Å; F116-I205 HydrophobicContact CB-CD1 4.36Å; F116-I205 HydrophobicContact CD1-CB 3.95Å; F116-I205 HydrophobicContact CD1-CD1 4.26Å; F116-I205 HydrophobicContact CD1-CG2 3.59Å; F116-I205 HydrophobicContact CE1-CB 4.15Å; F116-I205 HydrophobicContact CE1-CG2 3.95Å; L117-I205 HydrophobicContact CD2-CG2 3.79Å; L117-I205 HydrophobicContact CG-CG2 4.18Å; V190-I205 HydrophobicContact CG1-CD1 3.87Å; V190-I205 HydrophobicContact CG1-CG1 4Å; V190-I205 HydrophobicContact CG2-CG1 4.49Å; A201-I205 WeakPolarHBondContact O-CD1 3.31Å; A201-I205 WeakPolarHBondContact O-CG1 3.46Å; A201-I205 PolarHBondContact O-N 3.44Å; H202-I205 PolarHBondContact O-N 3.39Å; L203-I205 PolarHBondContact O-N 3.18Å; I205-I209 HydrophobicContact CB-CD1 4.46Å; I205-I209 HydrophobicContact CG1-CD1 4.17Å; I205-I209 HydrophobicContact CG2-CB 4.16Å; I205-I209 HydrophobicContact CG2-CD1 4.2Å; I205-I209 WeakPolarHBondContact O-CA 3.39Å; I205-I209 VanDerWaalsContact O-CB 3.31Å; I205-I209 WeakPolarHBondContact O-CB 3.43Å; I205-I209 PolarHBondContact O-N 3.24Å; I205-L210 PolarHBondContact O-N 3.41Å
206R93.3Very high92.4Very high24 Ų2450 Ų509%0.09125%0.251CS..Iπ-helixtrans-62.5-46.7176-173.2-162.865.2-170.20.1112.4F116 H202 L203 F204 L210 L306 G308F116-R206 HydrophobicContact CE1-CB 4.44Å; H202-R206 WeakPolarHBondContact O-CB 3.48Å; H202-R206 PolarHBondContact O-N 2.92Å; L203-R206 PolarHBondContact O-N 3.36Å; F204-R206 VanDerWaalsContact C-N 3.33Å; F204-R206 PolarHBondContact O-N 3.48Å; R206-L210 HydrophobicContact CB-CD1 4.23Å; R206-L210 HydrophobicContact CG-CD1 4.26Å; R206-L210 WeakPolarHBondContact O-CB 3.38Å; R206-L306 HydrophobicContact CG-CD2 4.44Å; R206-L306 PolarHBondContact NE-O 3.44Å; R206-L306 VanDerWaalsContact NE-O 3.17Å; R206-G308 PolarHBondContact NH1-O 3.02Å
207D93Very high92.3Very high66 Ų6648.7 Ų48.735%0.35324%0.244SC..Iπ-helixtrans-78.2-28-170.4-64.4-8.2000112.4L203 F204 T211L203-D207 WeakPolarHBondContact O-CB 3.42Å; L203-D207 PolarHBondContact O-N 3.04Å; F204-D207 PolarHBondContact O-N 3.39Å; D207-T211 WeakPolarHBondContact O-CG2 3.29Å; D207-T211 PolarHBondContact O-OG1 2.91Å
208F94Very high92.1Very high59 Ų5943.3 Ų43.326%0.25922%0.22SC..Iπ-helixtrans-114.9-34.9-177.3-63.4-67.5000115.5I149 L153 F204 T211I149-F208 HydrophobicContact CG2-CB 4.19Å; L153-F208 HydrophobicContact CD2-CD1 3.79Å; L153-F208 HydrophobicContact CD2-CE1 3.57Å; L153-F208 HydrophobicContact CD2-CG 4.42Å; L153-F208 HydrophobicContact CD2-CZ 4.03Å; F204-F208 HydrophobicContact CD1-CD2 4.16Å; F204-F208 AromaticContact CD2-CD2 3.41Å; F204-F208 HydrophobicContact CD2-CD2 3.41Å; F204-F208 VanDerWaalsContact CD2-CD2 3.41Å; F204-F208 AromaticContact CD2-CE2 3.49Å; F204-F208 HydrophobicContact CD2-CE2 3.49Å; F204-F208 VanDerWaalsContact CD2-CE2 3.49Å; F204-F208 HydrophobicContact CE1-CB 4.5Å; F204-F208 HydrophobicContact CE1-CD2 4.08Å; F204-F208 AromaticContact CE2-CD2 3.3Å; F204-F208 HydrophobicContact CE2-CD2 3.3Å; F204-F208 AromaticContact CE2-CE2 3.4Å; F204-F208 HydrophobicContact CE2-CE2 3.4Å; F204-F208 VanDerWaalsContact CE2-CE2 3.4Å; F204-F208 HydrophobicContact CE2-CG 4.32Å; F204-F208 HydrophobicContact CE2-CZ 4.48Å; F204-F208 AromaticContact CG-CD2 3.84Å; F204-F208 HydrophobicContact CG-CD2 3.84Å; F204-F208 HydrophobicContact CG-CE2 4.32Å; F204-F208 AromaticContact CZ-CD2 3.66Å; F204-F208 HydrophobicContact CZ-CD2 3.66Å; F204-F208 HydrophobicContact CZ-CE2 4.19Å; F204-F208 HydrophobicContact CZ-CG 4.31Å; F204-F208 WeakPolarHBondContact O-CD2 3.12Å; F204-F208 PolarHBondContact O-N 3.38Å; F208-T211 VanDerWaalsContact C-OG1 3.29Å; F208-T211 WeakPolarHBondContact CA-OG1 3.39Å; F208-T211 PolarHBondContact O-OG1 2.96Å; F208-T211 VanDerWaalsContact O-OG1 3.13Å
209I95.4Very high91.8Very high2 Ų239.2 Ų39.21%0.0120%0.202CC..Iπ-helixtrans-91.5-49.6-176.7-56.3179.9000110.1L140 L146 I149 L186 I205 T211 R212L140-I209 HydrophobicContact CB-CG2 4.17Å; L140-I209 HydrophobicContact CD1-CG2 4.44Å; L140-I209 HydrophobicContact CD2-CG2 4.28Å; L140-I209 WeakPolarHBondContact CD2-O 3.29Å; L146-I209 HydrophobicContact CD2-CD1 4.32Å; I149-I209 HydrophobicContact CD1-CG1 4.39Å; L186-I209 HydrophobicContact CD2-CD1 4.14Å; I205-I209 HydrophobicContact CB-CD1 4.46Å; I205-I209 HydrophobicContact CG1-CD1 4.17Å; I205-I209 HydrophobicContact CG2-CB 4.16Å; I205-I209 HydrophobicContact CG2-CD1 4.2Å; I205-I209 WeakPolarHBondContact O-CA 3.39Å; I205-I209 VanDerWaalsContact O-CB 3.31Å; I205-I209 WeakPolarHBondContact O-CB 3.43Å; I205-I209 PolarHBondContact O-N 3.24Å; I209-T211 VanDerWaalsContact C-N 3.29Å; I209-T211 PolarHBondContact O-N 2.89Å; I209-R212 VanDerWaalsContact O-CB 3.29Å; I209-R212 WeakPolarHBondContact O-CB 3.13Å; I209-R212 PolarHBondContact O-N 3.18Å; I209-R212 VanDerWaalsContact O-N 3.16Å
210L94.1Very high91.6Very high0 Ų040.6 Ų40.60%021%0.209CC..G310 helixtrans-69.4-26.4-179.4-73.9170.6000113.1F116 L117 F120 L121 L140 I205 R206 R212 L213 L306F116-L210 HydrophobicContact CE1-CD1 3.94Å; L117-L210 HydrophobicContact CD2-CD1 4.36Å; L117-L210 HydrophobicContact CD2-CD2 3.53Å; L117-L210 HydrophobicContact CD2-CG 3.81Å; F120-L210 HydrophobicContact CD1-CD1 3.38Å; F120-L210 HydrophobicContact CD1-CD2 3.97Å; F120-L210 HydrophobicContact CD1-CG 4.34Å; F120-L210 HydrophobicContact CD2-CD1 4.15Å; F120-L210 HydrophobicContact CE1-CD1 3.35Å; F120-L210 HydrophobicContact CE1-CD2 4.09Å; F120-L210 HydrophobicContact CE1-CG 4.28Å; F120-L210 HydrophobicContact CE2-CD1 4.12Å; F120-L210 HydrophobicContact CG-CD1 3.8Å; F120-L210 HydrophobicContact CZ-CD1 3.74Å; L121-L210 HydrophobicContact CD2-CD2 4.36Å; L140-L210 HydrophobicContact CD1-CD2 4Å; I205-L210 PolarHBondContact O-N 3.41Å; R206-L210 HydrophobicContact CB-CD1 4.23Å; R206-L210 HydrophobicContact CG-CD1 4.26Å; R206-L210 WeakPolarHBondContact O-CB 3.38Å; L210-R212 PolarHBondContact O-N 3.46Å; L210-L213 HydrophobicContact CD2-CD1 4.02Å; L210-L213 WeakPolarHBondContact O-CB 3.47Å; L210-L213 PolarHBondContact O-N 3.26Å; L210-L213 VanDerWaalsContact O-N 3.07Å; L210-L306 HydrophobicContact CB-CD2 3.97Å
211T92.8Very high91.5Very high45 Ų4540.6 Ų40.628%0.27621%0.21SC..G310 helixtrans-58.5-26.5172.644.30000112.3D207 F208 I209 L213 S214 L306D207-T211 WeakPolarHBondContact O-CG2 3.29Å; D207-T211 PolarHBondContact O-OG1 2.91Å; F208-T211 VanDerWaalsContact C-OG1 3.29Å; F208-T211 WeakPolarHBondContact CA-OG1 3.39Å; F208-T211 PolarHBondContact O-OG1 2.96Å; F208-T211 VanDerWaalsContact O-OG1 3.13Å; I209-T211 VanDerWaalsContact C-N 3.29Å; I209-T211 PolarHBondContact O-N 2.89Å; T211-L213 PolarHBondContact O-N 2.56Å; T211-S214 PolarHBondContact O-N 3.22Å; T211-S214 VanDerWaalsContact O-N 3.11Å; T211-S214 PolarHBondContact O-OG 3.43Å; T211-L306 HydrophobicContact CG2-CD1 4Å; T211-L306 HydrophobicContact CG2-CD2 4.07Å
212R92.3Very high91.3Very high50 Ų5041 Ų4119%0.18921%0.212CC..G310 helixtrans-61.4-29.6176.8-169.453.4178.1152.37.9113Y139 L140 E145 I209 L210 S214 D215 I216Y139-R212 HydrophobicContact CE1-CG 4.41Å; L140-R212 HydrophobicContact CD2-CB 4.08Å; E145-R212 IonicContact OE2-CZ 3.57Å; E145-R212 IonicContact OE2-NE 3.03Å; E145-R212 PolarHBondContact OE2-NE 3.07Å; E145-R212 IonicContact OE2-NH2 3.33Å; I209-R212 VanDerWaalsContact O-CB 3.29Å; I209-R212 WeakPolarHBondContact O-CB 3.13Å; I209-R212 PolarHBondContact O-N 3.18Å; I209-R212 VanDerWaalsContact O-N 3.16Å; L210-R212 PolarHBondContact O-N 3.46Å; R212-S214 PolarHBondContact O-N 3.28Å; R212-D215 IonicContact NH1-OD2 3.31Å; R212-D215 PolarHBondContact NH1-OD2 3.4Å; R212-D215 PolarHBondContact O-N 2.93Å; R212-I216 HydrophobicContact CG-CD1 4.03Å; R212-I216 VanDerWaalsContact O-CD1 3.23Å; R212-I216 WeakPolarHBondContact O-CD1 3.42Å
213L90.9Very high91.1Very high1 Ų144.5 Ų44.51%0.00524%0.24CC..G310 helixtrans-67.7-16.5178-63.8-177.1000114.2L121 I136 L140 L210 T211 D215 I304L121-L213 HydrophobicContact CD2-CD1 3.78Å; I136-L213 HydrophobicContact CG2-CD1 3.81Å; I136-L213 HydrophobicContact CG2-CD2 3.66Å; I136-L213 HydrophobicContact CG2-CG 4.41Å; L140-L213 HydrophobicContact CD1-CD1 3.95Å; L140-L213 HydrophobicContact CD1-CD2 4.03Å; L140-L213 HydrophobicContact CD1-CG 3.97Å; L140-L213 HydrophobicContact CD2-CD2 3.69Å; L140-L213 HydrophobicContact CD2-CG 3.93Å; L140-L213 HydrophobicContact CG-CD2 3.85Å; L140-L213 HydrophobicContact CG-CG 4.24Å; L210-L213 HydrophobicContact CD2-CD1 4.02Å; L210-L213 WeakPolarHBondContact O-CB 3.47Å; L210-L213 PolarHBondContact O-N 3.26Å; L210-L213 VanDerWaalsContact O-N 3.07Å; T211-L213 PolarHBondContact O-N 2.56Å; L213-D215 VanDerWaalsContact C-N 3.32Å; L213-I304 HydrophobicContact CB-CD1 3.45Å; L213-I304 VanDerWaalsContact CB-CD1 3.45Å; L213-I304 HydrophobicContact CD1-CD1 3.89Å; L213-I304 HydrophobicContact CG-CD1 4.33Å
214S87.8Confident91Very high78 Ų7842 Ų4255%0.54523%0.227SC..G310 helixtrans-75.5-24.9175.363.20000112.9T211 R212 I216T211-S214 PolarHBondContact O-N 3.22Å; T211-S214 VanDerWaalsContact O-N 3.11Å; T211-S214 PolarHBondContact O-OG 3.43Å; R212-S214 PolarHBondContact O-N 3.28Å; S214-I216 VanDerWaalsContact C-N 3.33Å
215D86Confident90.6Very high109 Ų10946.1 Ų46.158%0.58325%0.254SS*.SBendtrans-83.9-13-177-62.2-18.5000112.7R212 L213R212-D215 IonicContact NH1-OD2 3.31Å; R212-D215 PolarHBondContact NH1-OD2 3.4Å; R212-D215 PolarHBondContact O-N 2.93Å; L213-D215 VanDerWaalsContact C-N 3.32Å
216I87.7Confident90.4Very high29 Ų2952 Ų5215%0.14929%0.285CS..SBendtrans-115.3139.1-168.9-57.9149.3000109.5Y139 R212 S214 L218Y139-I216 HydrophobicContact CD1-CD1 4.05Å; Y139-I216 HydrophobicContact CE1-CD1 3.04Å; Y139-I216 HydrophobicContact CE1-CG1 4.34Å; Y139-I216 HydrophobicContact CE2-CD1 4.44Å; Y139-I216 WeakPolarHBondContact OH-CD1 3.04Å; R212-I216 HydrophobicContact CG-CD1 4.03Å; R212-I216 VanDerWaalsContact O-CD1 3.23Å; R212-I216 WeakPolarHBondContact O-CD1 3.42Å; S214-I216 VanDerWaalsContact C-N 3.33Å; I216-L218 PolarHBondContact O-N 3.11Å
217D88.4Confident90.5Very high57 Ų5751.3 Ų51.331%0.30528%0.284SS..  trans-77.4119.5168.6-168.10.1000110.8T219 E220 L221D217-T219 PolarHBondContact O-N 2.99Å; D217-T219 VanDerWaalsContact OD1-CG2 3.3Å; D217-T219 WeakPolarHBondContact OD1-CG2 3.36Å; D217-T219 PolarHBondContact OD1-N 3.1Å; D217-T219 PolarHBondContact OD1-OG1 2.56Å; D217-T219 PolarHBondContact OD2-OG1 3.16Å; D217-E220 HydrophobicContact CB-CG 4.13Å; D217-E220 PolarHBondContact O-N 3.47Å; D217-L221 PolarHBondContact O-N 2.76Å
218L88.1Confident90.6Very high1 Ų152.1 Ų52.11%0.00529%0.288CS..Hα-helixtrans-64.5-25.7175-62.4179.1000111.4Y125 I136 I216 E220 L221 I222Y125-L218 HydrophobicContact CE1-CD1 4.43Å; Y125-L218 HydrophobicContact CE2-CD1 4.42Å; Y125-L218 WeakPolarHBondContact OH-CD1 3.34Å; I136-L218 HydrophobicContact CD1-CD2 4.14Å; I136-L218 HydrophobicContact CG1-CD2 4.25Å; I216-L218 PolarHBondContact O-N 3.11Å; L218-E220 VanDerWaalsContact C-N 3.3Å; L218-E220 PolarHBondContact O-N 3.19Å; L218-L221 PolarHBondContact O-N 3.28Å; L218-I222 WeakPolarHBondContact O-CB 3.45Å; L218-I222 WeakPolarHBondContact O-CG1 3.16Å; L218-I222 PolarHBondContact O-N 3.2Å; L218-I222 VanDerWaalsContact O-N 3.09Å
219T87.6Confident90.6Very high29 Ų2951.5 Ų51.518%0.17829%0.29CS..Hα-helixtrans-67.6-31.8179.184.10000112.2D217 L297D217-T219 PolarHBondContact O-N 2.99Å; D217-T219 VanDerWaalsContact OD1-CG2 3.3Å; D217-T219 WeakPolarHBondContact OD1-CG2 3.36Å; D217-T219 PolarHBondContact OD1-N 3.1Å; D217-T219 PolarHBondContact OD1-OG1 2.56Å; D217-T219 PolarHBondContact OD2-OG1 3.16Å; T219-L297 HydrophobicContact CG2-CD2 3.39Å
220E88.1Confident90.6Very high163 Ų16351.7 Ų51.776%0.76229%0.291SS*.Hα-helixtrans-78.1-36.2176.3-66.9-173.8167.500111.6D217 L218D217-E220 HydrophobicContact CB-CG 4.13Å; D217-E220 PolarHBondContact O-N 3.47Å; L218-E220 VanDerWaalsContact C-N 3.3Å; L218-E220 PolarHBondContact O-N 3.19Å
221L89.6Confident90.7Very high45 Ų4551.7 Ų51.724%0.23629%0.291CS..Hα-helixtrans-70.3-35.1-179.6-174.563.8000112.3I136 Y139 D217 L218 S223I136-L221 HydrophobicContact CB-CD2 4.45Å; I136-L221 HydrophobicContact CG1-CD2 3.95Å; Y139-L221 HydrophobicContact CD2-CD1 3.91Å; Y139-L221 HydrophobicContact CG-CD1 4.04Å; Y139-L221 HydrophobicContact CG-CD2 4.15Å; D217-L221 PolarHBondContact O-N 2.76Å; L218-L221 PolarHBondContact O-N 3.28Å; L221-S223 PolarHBondContact O-N 3.36Å
222I90.8Very high90.8Very high8 Ų853 Ų534%0.04129%0.294CS..  trans-90.9107.2-175.2-67.4166000110.1F128 W132 I136 L218 I224 L297F128-I222 HydrophobicContact CE2-CD1 4.09Å; W132-I222 HydrophobicContact CB-CD1 4.06Å; W132-I222 HydrophobicContact CB-CG1 4.32Å; W132-I222 HydrophobicContact CD2-CD1 4.24Å; W132-I222 HydrophobicContact CD2-CG2 3.57Å; W132-I222 VanDerWaalsContact CE2-CG2 3.45Å; W132-I222 HydrophobicContact CE3-CD1 4.12Å; W132-I222 HydrophobicContact CE3-CG2 4.16Å; W132-I222 HydrophobicContact CG-CD1 4.24Å; W132-I222 HydrophobicContact CG-CG1 4.35Å; W132-I222 HydrophobicContact CG-CG2 3.76Å; W132-I222 HydrophobicContact CH2-CG2 4.46Å; W132-I222 HydrophobicContact CZ2-CG2 3.95Å; I136-I222 HydrophobicContact CD1-CD1 4.41Å; L218-I222 WeakPolarHBondContact O-CB 3.45Å; L218-I222 WeakPolarHBondContact O-CG1 3.16Å; L218-I222 PolarHBondContact O-N 3.2Å; L218-I222 VanDerWaalsContact O-N 3.09Å; I222-I224 HydrophobicContact CG2-CG1 4.3Å; I222-L297 HydrophobicContact CB-CD1 4.48Å; I222-L297 HydrophobicContact CD1-CD1 3.47Å; I222-L297 VanDerWaalsContact CD1-CD1 3.47Å; I222-L297 HydrophobicContact CG2-CD1 4.48Å
223S89.1Confident91Very high100 Ų10050.6 Ų50.670%0.69929%0.285SS*.  trans-87.7131.6172-167.30000111.1L221 P225L221-S223 PolarHBondContact O-N 3.36Å; S223-P225 VanDerWaalsContact O-CD 3.31Å; S223-P225 WeakPolarHBondContact O-CD 3.15Å
224I92.3Very high91.2Very high10 Ų1050.5 Ų50.55%0.05129%0.285CS..  trans-112.293.2178-55.3175.8000108.6W132 I222 P227 L230 R288 I291 K292W132-I224 HydrophobicContact CH2-CD1 4.17Å; W132-I224 HydrophobicContact CZ2-CD1 3.87Å; W132-I224 HydrophobicContact CZ2-CG1 3.9Å; I222-I224 HydrophobicContact CG2-CG1 4.3Å; I224-P227 HydrophobicContact CG2-CB 4.3Å; I224-L230 HydrophobicContact CG2-CD2 3.86Å; I224-R288 HydrophobicContact CB-CG 4.37Å; I224-I291 HydrophobicContact CD1-CB 4.27Å; I224-I291 HydrophobicContact CD1-CG2 4.01Å; I224-I291 HydrophobicContact CG2-CD1 3.79Å; I224-K292 HydrophobicContact CD1-CG 4.12Å
225P86.7Confident91.6Very high92 Ų9246.9 Ų46.960%0.59726%0.259SS*.SBendtrans-74.4142.2174.730.8-33.7000110.5S223S223-P225 VanDerWaalsContact O-CD 3.31Å; S223-P225 WeakPolarHBondContact O-CD 3.15Å
226N90.9Very high91.9Very high123 Ų12344.7 Ų44.766%0.65825%0.245SC*.SBendtrans49.471.2176.6-60.3-29.7000114L228 P229N226-L228 PolarHBondContact O-N 2.78Å; N226-P229 HydrophobicContact CB-CG 4.02Å; N226-P229 VanDerWaalsContact O-CD 3.29Å; N226-P229 WeakPolarHBondContact O-CD 3.4Å; N226-P229 WeakPolarHBondContact O-CG 3.48Å
227P95.4Very high92.2Very high10 Ų1045.7 Ų45.77%0.06526%0.255CS..Hα-helixtrans-71.8-27.4-168.731.8-38.5000113.7I224 L230 L231 L287 R288 I291I224-P227 HydrophobicContact CG2-CB 4.3Å; P227-L230 PolarHBondContact O-N 3.03Å; P227-L231 WeakPolarHBondContact O-CB 3.48Å; P227-L231 PolarHBondContact O-N 2.73Å; P227-L287 HydrophobicContact CB-CB 3.67Å; P227-L287 HydrophobicContact CG-CB 3.79Å; P227-L287 HydrophobicContact CG-CD1 4.15Å; P227-R288 HydrophobicContact CB-CG 3.93Å; P227-R288 HydrophobicContact CG-CG 4.12Å; P227-I291 HydrophobicContact CB-CD1 3.77Å; P227-I291 WeakPolarHBondContact O-CD1 3.29Å
228L94.9Very high92.4Very high83 Ų8348.7 Ų48.744%0.43527%0.267SS..Hα-helixtrans-61.6-59.2-179.3-166.7164.8000113.7N226 L230 L231 Q232 L287N226-L228 PolarHBondContact O-N 2.78Å; L228-L230 PolarHBondContact O-N 3.34Å; L228-L231 PolarHBondContact O-N 3.35Å; L228-Q232 VanDerWaalsContact CD2-CD 3.44Å; L228-Q232 HydrophobicContact CD2-CG 4.07Å; L228-Q232 VanDerWaalsContact CD2-NE2 3.27Å; L228-Q232 WeakPolarHBondContact O-CG 3.21Å; L228-Q232 PolarHBondContact O-N 3.34Å; L228-L287 HydrophobicContact CB-CD1 3.81Å; L228-L287 HydrophobicContact CG-CD1 4.32Å
229P94.3Very high92.6Very high47 Ų4751.9 Ų51.931%0.30530%0.3SS..Hα-helixtrans-62.2-33.218024.7-35.4000112.1N226 Q232 G233 L329 A332N226-P229 HydrophobicContact CB-CG 4.02Å; N226-P229 VanDerWaalsContact O-CD 3.29Å; N226-P229 WeakPolarHBondContact O-CD 3.4Å; N226-P229 WeakPolarHBondContact O-CG 3.48Å; P229-Q232 PolarHBondContact O-N 3.44Å; P229-G233 PolarHBondContact O-N 3.13Å; P229-L329 HydrophobicContact CB-CD2 4.27Å; P229-L329 HydrophobicContact CG-CD2 4.39Å; P229-A332 WeakPolarHBondContact O-CB 3.31Å
230L95.4Very high92.9Very high6 Ų655.2 Ų55.23%0.03131%0.309CS..Hα-helixtrans-65.1-48.4177-177.758000111.3I224 P227 L228 Q232 G233 I234 I291 L325 L329I224-L230 HydrophobicContact CG2-CD2 3.86Å; P227-L230 PolarHBondContact O-N 3.03Å; L228-L230 PolarHBondContact O-N 3.34Å; L230-Q232 VanDerWaalsContact C-N 3.32Å; L230-Q232 PolarHBondContact O-N 3.49Å; L230-G233 PolarHBondContact O-N 3.14Å; L230-I234 HydrophobicContact CD1-CD1 4.15Å; L230-I234 HydrophobicContact CD1-CG1 4.47Å; L230-I234 HydrophobicContact CG-CD1 3.93Å; L230-I234 VanDerWaalsContact O-CG1 3.28Å; L230-I234 WeakPolarHBondContact O-CG1 3.35Å; L230-I234 PolarHBondContact O-N 3.22Å; L230-I291 HydrophobicContact CB-CD1 4.2Å; L230-I291 HydrophobicContact CD2-CD1 4Å; L230-I291 HydrophobicContact CD2-CG2 4.38Å; L230-I291 HydrophobicContact CG-CD1 4.15Å; L230-L325 HydrophobicContact CD1-CD2 4.03Å; L230-L325 HydrophobicContact CD2-CD2 4.12Å; L230-L329 HydrophobicContact CB-CD2 4.14Å; L230-L329 HydrophobicContact CD1-CD2 4.35Å; L230-L329 HydrophobicContact CD1-CG 4.47Å
231L96.1Very high93.1Very high0 Ų048.1 Ų48.10%028%0.28CS..Hα-helixtrans-62.6-38.8177.3-175.563.8000112P227 L228 G233 I234 L235 P243 I264 L287 I291P227-L231 WeakPolarHBondContact O-CB 3.48Å; P227-L231 PolarHBondContact O-N 2.73Å; L228-L231 PolarHBondContact O-N 3.35Å; L231-G233 PolarHBondContact O-N 3.15Å; L231-I234 PolarHBondContact O-N 2.95Å; L231-L235 HydrophobicContact CD1-CD1 4.37Å; L231-L235 HydrophobicContact CD1-CG 4.26Å; L231-L235 HydrophobicContact CG-CD1 4.02Å; L231-L235 HydrophobicContact CG-CG 4.34Å; L231-L235 WeakPolarHBondContact O-CB 3.47Å; L231-L235 WeakPolarHBondContact O-CG 3.45Å; L231-L235 PolarHBondContact O-N 3.14Å; L231-P243 HydrophobicContact CD2-CB 3.98Å; L231-P243 HydrophobicContact CD2-CG 4.45Å; L231-P243 HydrophobicContact CG-CB 4.47Å; L231-I264 HydrophobicContact CD2-CD1 4.46Å; L231-I264 HydrophobicContact CD2-CG2 3.94Å; L231-L287 HydrophobicContact CD2-CD2 3.62Å; L231-I291 HydrophobicContact CB-CD1 4.26Å; L231-I291 HydrophobicContact CB-CG1 3.99Å; L231-I291 HydrophobicContact CD1-CG1 4Å
232Q95.3Very high93.2Very high71 Ų7150.1 Ų50.133%0.33230%0.296SS..Hα-helixtrans-58.3-46.6173.9-77.1-180-14.700112.1L228 P229 L230 I234 L235 Q236 P243 A332L228-Q232 VanDerWaalsContact CD2-CD 3.44Å; L228-Q232 HydrophobicContact CD2-CG 4.07Å; L228-Q232 VanDerWaalsContact CD2-NE2 3.27Å; L228-Q232 WeakPolarHBondContact O-CG 3.21Å; L228-Q232 PolarHBondContact O-N 3.34Å; P229-Q232 PolarHBondContact O-N 3.44Å; L230-Q232 VanDerWaalsContact C-N 3.32Å; L230-Q232 PolarHBondContact O-N 3.49Å; Q232-I234 VanDerWaalsContact C-N 3.35Å; Q232-L235 PolarHBondContact O-N 3.46Å; Q232-Q236 VanDerWaalsContact O-CB 3.31Å; Q232-Q236 WeakPolarHBondContact O-CB 3.46Å; Q232-Q236 PolarHBondContact O-N 3.29Å; Q232-P243 HydrophobicContact CG-CG 3.67Å; Q232-A332 HydrophobicContact CB-CB 4.23Å
233G95.4Very high93.4Very high0 Ų050.9 Ų50.90%030%0.302CS..Hα-helixtrans-64-39.7178.200000113.2P229 L230 L231 S237 Y328P229-G233 PolarHBondContact O-N 3.13Å; L230-G233 PolarHBondContact O-N 3.14Å; L231-G233 PolarHBondContact O-N 3.15Å; G233-S237 PolarHBondContact O-N 3.35Å; G233-Y328 VanDerWaalsContact CA-O 3.25Å; G233-Y328 WeakPolarHBondContact CA-O 3.48Å
234I95.5Very high93.8Very high0 Ų050.9 Ų50.90%029%0.29CS..Hα-helixtrans-63.7-51.8175.6-69.3165.9000110.7L230 L231 Q232 Q236 S237 E238 I291 F294 F295 Y328L230-I234 HydrophobicContact CD1-CD1 4.15Å; L230-I234 HydrophobicContact CD1-CG1 4.47Å; L230-I234 HydrophobicContact CG-CD1 3.93Å; L230-I234 VanDerWaalsContact O-CG1 3.28Å; L230-I234 WeakPolarHBondContact O-CG1 3.35Å; L230-I234 PolarHBondContact O-N 3.22Å; L231-I234 PolarHBondContact O-N 2.95Å; Q232-I234 VanDerWaalsContact C-N 3.35Å; I234-Q236 VanDerWaalsContact C-N 3.28Å; I234-Q236 PolarHBondContact O-N 3.5Å; I234-S237 WeakPolarHBondContact O-CB 2.97Å; I234-S237 PolarHBondContact O-N 3.2Å; I234-S237 VanDerWaalsContact O-N 3.09Å; I234-S237 PolarHBondContact O-OG 2.9Å; I234-E238 PolarHBondContact O-N 2.93Å; I234-I291 HydrophobicContact CD1-CG1 4.31Å; I234-I291 HydrophobicContact CD1-CG2 4.07Å; I234-F294 HydrophobicContact CG2-CB 4.48Å; I234-F294 HydrophobicContact CG2-CD1 3.34Å; I234-F294 HydrophobicContact CG2-CD2 3.69Å; I234-F294 HydrophobicContact CG2-CE1 3.29Å; I234-F294 HydrophobicContact CG2-CE2 3.65Å; I234-F294 HydrophobicContact CG2-CG 3.54Å; I234-F294 HydrophobicContact CG2-CZ 3.45Å; I234-F294 VanDerWaalsContact CG2-CZ 3.45Å; I234-F295 HydrophobicContact CD1-CE2 3.61Å; I234-F295 HydrophobicContact CD1-CZ 3.85Å; I234-F295 HydrophobicContact CG1-CZ 4.27Å; I234-Y328 HydrophobicContact CB-CD1 4.37Å; I234-Y328 HydrophobicContact CG1-CD1 3.75Å; I234-Y328 HydrophobicContact CG1-CD2 4.24Å; I234-Y328 HydrophobicContact CG1-CE1 4.16Å; I234-Y328 HydrophobicContact CG1-CG 3.79Å
235L95.3Very high93.9Very high1 Ų153.5 Ų53.51%0.00531%0.307CS..Hα-helixtrans-60.9-38.9179.4-71.9173.2000111.8L231 Q232 S237 E238 G239 R240 P243L231-L235 HydrophobicContact CD1-CD1 4.37Å; L231-L235 HydrophobicContact CD1-CG 4.26Å; L231-L235 HydrophobicContact CG-CD1 4.02Å; L231-L235 HydrophobicContact CG-CG 4.34Å; L231-L235 WeakPolarHBondContact O-CB 3.47Å; L231-L235 WeakPolarHBondContact O-CG 3.45Å; L231-L235 PolarHBondContact O-N 3.14Å; Q232-L235 PolarHBondContact O-N 3.46Å; L235-S237 VanDerWaalsContact C-N 3.34Å; L235-S237 PolarHBondContact O-N 3.45Å; L235-E238 PolarHBondContact O-N 2.95Å; L235-G239 PolarHBondContact O-N 2.96Å; L235-R240 HydrophobicContact CB-CB 4.24Å; L235-R240 HydrophobicContact CD2-CB 4.06Å; L235-R240 HydrophobicContact CD2-CG 4.5Å; L235-R240 PolarHBondContact O-N 2.81Å; L235-P243 HydrophobicContact CD1-CB 3.75Å; L235-P243 HydrophobicContact CD1-CG 4.08Å
236Q93.4Very high94.4Very high64 Ų6454.6 Ų54.630%0.29930%0.299SS..Hα-helixtrans-64.1-38.2175.4-173.2-176.34.600112.4Q232 I234 E238 G239 L331Q232-Q236 VanDerWaalsContact O-CB 3.31Å; Q232-Q236 WeakPolarHBondContact O-CB 3.46Å; Q232-Q236 PolarHBondContact O-N 3.29Å; I234-Q236 VanDerWaalsContact C-N 3.28Å; I234-Q236 PolarHBondContact O-N 3.5Å; Q236-E238 PolarHBondContact O-N 2.9Å; Q236-G239 PolarHBondContact O-N 3.25Å; Q236-L331 PolarHBondContact OE1-O 3.25Å
237S93.9Very high94.7Very high50 Ų5052.5 Ų52.535%0.3529%0.288SS..Hα-helixtrans-63.6-29.3177.776.20000112.9G233 I234 L235G233-S237 PolarHBondContact O-N 3.35Å; I234-S237 WeakPolarHBondContact O-CB 2.97Å; I234-S237 PolarHBondContact O-N 3.2Å; I234-S237 VanDerWaalsContact O-N 3.09Å; I234-S237 PolarHBondContact O-OG 2.9Å; L235-S237 VanDerWaalsContact C-N 3.34Å; L235-S237 PolarHBondContact O-N 3.45Å
238E92.1Very high94.8Very high119 Ų11954.2 Ų54.256%0.55630%0.296SS*.THydrogen-bonded Turntrans-88.6-1.8174.3-69.4-75.1170.600113.2I234 L235 Q236 R240 F294I234-E238 PolarHBondContact O-N 2.93Å; L235-E238 PolarHBondContact O-N 2.95Å; Q236-E238 PolarHBondContact O-N 2.9Å; E238-R240 VanDerWaalsContact C-N 3.31Å; E238-R240 HydrophobicContact CB-CG 4.29Å; E238-R240 PolarHBondContact O-N 3.5Å; E238-F294 HydrophobicContact CG-CE2 3.65Å; E238-F294 HydrophobicContact CG-CZ 3.51Å; E238-F294 WeakPolarHBondContact OE1-CZ 3.41Å
239G92.1Very high94.9Very high68 Ų6857.8 Ų57.870%0.70131%0.305SS*.THydrogen-bonded Turntrans70.822.2-177.400000114.7L235 Q236L235-G239 PolarHBondContact O-N 2.96Å; Q236-G239 PolarHBondContact O-N 3.25Å
240R93.3Very high95Very high99 Ų9961 Ų6137%0.37432%0.316SS..PPolyproline II helixtrans-85.8157.4174.7-64.8-173179.5-158.1-1.3111.8L235 E238 D267L235-R240 HydrophobicContact CB-CB 4.24Å; L235-R240 HydrophobicContact CD2-CB 4.06Å; L235-R240 HydrophobicContact CD2-CG 4.5Å; L235-R240 PolarHBondContact O-N 2.81Å; E238-R240 VanDerWaalsContact C-N 3.31Å; E238-R240 HydrophobicContact CB-CG 4.29Å; E238-R240 PolarHBondContact O-N 3.5Å; R240-D267 WeakPolarHBondContact CA-OD2 3.19Å
241G92.3Very high95Very high15 Ų1563.5 Ų63.516%0.15533%0.333CS..PPolyproline II helixtrans-61.9165.117200000113.5D267G241-D267 WeakPolarHBondContact CA-OD1 3.38Å; G241-D267 PolarHBondContact N-OD1 2.98Å; G241-D267 PolarHBondContact N-OD2 3.2Å
242P93Very high95Very high86 Ų8666.8 Ų66.856%0.55836%0.356SS*.PPolyproline II helixtrans-62.3152.7179.228.3-35.2000111.7E244P242-E244 PolarHBondContact O-N 3.44Å
243P95.5Very high94.7Very high25 Ų2567 Ų6716%0.16236%0.359CS..PPolyproline II helixtrans-71.2129.5179.427.8-30.6000111.2L231 Q232 L235 I264 Y265L231-P243 HydrophobicContact CD2-CB 3.98Å; L231-P243 HydrophobicContact CD2-CG 4.45Å; L231-P243 HydrophobicContact CG-CB 4.47Å; Q232-P243 HydrophobicContact CG-CG 3.67Å; L235-P243 HydrophobicContact CD1-CB 3.75Å; L235-P243 HydrophobicContact CD1-CG 4.08Å; P243-I264 HydrophobicContact CB-CG2 3.79Å; P243-Y265 WeakPolarHBondContact CA-O 3.37Å
244E95.7Very high94.5Very high99 Ų9974.9 Ų74.946%0.46340%0.4SS..EExtended strand (participates in β ladder)trans-108.6122.8173.5-63.8-176.4175.800110P242 R246 I264 Y265P242-E244 PolarHBondContact O-N 3.44Å; E244-R246 IonicContact OE2-CZ 3.76Å; E244-R246 IonicContact OE2-NE 3.63Å; E244-R246 IonicContact OE2-NH2 3.96Å; E244-R246 PolarHBondContact OE2-NH2 3.1Å; E244-I264 WeakPolarHBondContact O-CA 3.29Å; E244-Y265 PolarHBondContact N-O 3.02Å; E244-Y265 PolarHBondContact O-N 3.28Å
245T96.4Very high94.4Very high66 Ų6678.6 Ų78.641%0.40542%0.423SS..EExtended strand (participates in β ladder)trans-85.5137.2174.653.50000110.9I264 E283T245-I264 HydrophobicContact CG2-CG1 3.96Å; T245-E283 HydrophobicContact CG2-CG 4.42Å
246R97.1Very high94.2Very high115 Ų11585.6 Ų85.643%0.43447%0.466SS..EExtended strand (participates in β ladder)trans-140.1132.5176.5-62.3-174.2-175175.82.7110.4E244 L248 G263 Y265E244-R246 IonicContact OE2-CZ 3.76Å; E244-R246 IonicContact OE2-NE 3.63Å; E244-R246 IonicContact OE2-NH2 3.96Å; E244-R246 PolarHBondContact OE2-NH2 3.1Å; R246-L248 PolarHBondContact O-N 3.32Å; R246-G263 PolarHBondContact N-O 3.41Å; R246-G263 PolarHBondContact O-N 2.76Å; R246-Y265 HydrophobicContact CB-CD2 4.16Å; R246-Y265 HydrophobicContact CB-CE2 4.08Å; R246-Y265 HydrophobicContact CG-CD2 4.06Å; R246-Y265 HydrophobicContact CG-CE2 4.38Å
247L97.3Very high94.3Very high78 Ų7889.4 Ų89.441%0.40849%0.487SS..EExtended strand (participates in β ladder)trans-73.9122.5172.1-176.9140.9000109.6Q250 F260 I279L247-Q250 HydrophobicContact CD2-CB 4.33Å; L247-Q250 HydrophobicContact CD2-CG 4.5Å; L247-F260 HydrophobicContact CD1-CD1 3.9Å; L247-I279 HydrophobicContact CD1-CG1 4.38Å
248L97.2Very high94.4Very high47 Ų4787.8 Ų87.825%0.24648%0.477CS..EExtended strand (participates in β ladder)trans-92.7-53.7-178.4-59.1178.8000110.8R246 E261 Y265 E273R246-L248 PolarHBondContact O-N 3.32Å; L248-E261 PolarHBondContact N-O 3.36Å; L248-Y265 HydrophobicContact CD2-CE2 4.09Å; L248-Y265 WeakPolarHBondContact CD2-OH 3.19Å; L248-E273 HydrophobicContact CD1-CB 4Å; L248-E273 VanDerWaalsContact CD1-OE2 3.25Å; L248-E273 WeakPolarHBondContact CD1-OE2 3.36Å
249Y96.6Very high94.7Very high158 Ų15884.3 Ų84.362%0.6247%0.466SS*.EExtended strand (participates in β ladder)trans-135.9153.9-177.4-58-81.1000110.9E261Y249-E261 HydrophobicContact CD2-CB 4.35Å; Y249-E261 HydrophobicContact CD2-CG 4.41Å; Y249-E261 WeakPolarHBondContact CD2-OE2 3.2Å; Y249-E261 PolarHBondContact N-O 3.08Å; Y249-E261 PolarHBondContact O-N 3.4Å
250Q96.2Very high94.9Very high115 Ų11581.9 Ų81.954%0.53744%0.436SS..EExtended strand (participates in β ladder)trans-143.2134.2172.463.8179.48.600109.3L247 M253 F260L247-Q250 HydrophobicContact CD2-CB 4.33Å; L247-Q250 HydrophobicContact CD2-CG 4.5Å; Q250-M253 HydrophobicContact CB-CG 4.46Å; Q250-M253 HydrophobicContact CB-SD 3.71Å; Q250-M253 HydrophobicContact CG-SD 4.24Å; Q250-F260 HydrophobicContact CB-CD1 4.18Å
251S95.7Very high95.2Very high57 Ų5779.8 Ų79.840%0.39943%0.43SS..EExtended strand (participates in β ladder)trans-137.5147.9-17966.20000110.5M253 C259S251-M253 PolarHBondContact O-N 3.45Å; S251-C259 PolarHBondContact N-O 2.85Å; S251-C259 PolarHBondContact O-N 3.05Å; S251-C259 WeakPolarHBondContact OG-CB 3.33Å; S251-C259 PolarHBondContact OG-O 3.48Å
252S94.8Very high95.4Very high69 Ų6979.1 Ų79.148%0.48342%0.423SS..  trans54.928.7170-58.10000115.9N254 T255 L257 A258S252-N254 PolarHBondContact O-N 2.96Å; S252-T255 WeakPolarHBondContact CB-OG1 3.24Å; S252-T255 PolarHBondContact O-N 3.37Å; S252-T255 PolarHBondContact O-OG1 3.26Å; S252-L257 VanDerWaalsContact CB-O 3.31Å; S252-L257 WeakPolarHBondContact CB-O 3.4Å; S252-A258 WeakPolarHBondContact O-CA 3.31Å; S252-A258 WeakPolarHBondContact O-CB 3.4Å
253M90.2Very high95.7Very high77 Ų7775 Ų7538%0.37940%0.397SS..THydrogen-bonded Turntrans-42.7-36.8-174-64.2-65.8-77.500116.7Q250 S251 F260Q250-M253 HydrophobicContact CB-CG 4.46Å; Q250-M253 HydrophobicContact CB-SD 3.71Å; Q250-M253 HydrophobicContact CG-SD 4.24Å; S251-M253 PolarHBondContact O-N 3.45Å; M253-F260 HydrophobicContact CE-CD1 4.31Å; M253-F260 HydrophobicContact CE-CE1 3.15Å; M253-F260 HydrophobicContact CE-CZ 3.35Å; M253-F260 HydrophobicContact SD-CD1 3.87Å; M253-F260 HydrophobicContact SD-CE1 3.08Å; M253-F260 WeakPolarHBondContact SD-CE1 3.35Å; M253-F260 HydrophobicContact SD-CE2 4.07Å; M253-F260 HydrophobicContact SD-CZ 3.19Å; M253-F260 WeakPolarHBondContact SD-CZ 3.07Å
254N90.3Very high95.8Very high164 Ų16473.9 Ų73.988%0.87739%0.389SS*.THydrogen-bonded Turntrans-101.219.3-174.7-65-17.7000112.7S252S252-N254 PolarHBondContact O-N 2.96Å
255T94.1Very high95.9Very high78 Ų7871.4 Ų71.448%0.47938%0.376SS..SBendtrans-126.8164.9-177.575.10000110.7S252 L257 A258S252-T255 WeakPolarHBondContact CB-OG1 3.24Å; S252-T255 PolarHBondContact O-N 3.37Å; S252-T255 PolarHBondContact O-OG1 3.26Å; T255-L257 PolarHBondContact O-N 3.19Å; T255-L257 VanDerWaalsContact O-N 3.16Å; T255-L257 PolarHBondContact OG1-N 3.32Å; T255-A258 PolarHBondContact O-N 3.04Å
256V91.8Very high95.9Very high149 Ų14968.3 Ų68.390%0.90336%0.357SS*.THydrogen-bonded Turntrans-64.3-15.7174.8-173.10000112.1
257L94.2Very high95.7Very high143 Ų14367.5 Ų67.575%0.74936%0.361SS*.THydrogen-bonded Turntrans-104.330.7177.6-57.4177.3000111.5S252 T255 C259S252-L257 VanDerWaalsContact CB-O 3.31Å; S252-L257 WeakPolarHBondContact CB-O 3.4Å; T255-L257 PolarHBondContact O-N 3.19Å; T255-L257 VanDerWaalsContact O-N 3.16Å; T255-L257 PolarHBondContact OG1-N 3.32Å; L257-C259 PolarHBondContact O-N 3.48Å
258A96.7Very high95.5Very high16 Ų1669.2 Ų69.213%0.13238%0.378CS..  trans-58.4137.3172.900000109.9S252 T255 F260 E277S252-A258 WeakPolarHBondContact O-CA 3.31Å; S252-A258 WeakPolarHBondContact O-CB 3.4Å; T255-A258 PolarHBondContact O-N 3.04Å; A258-F260 HydrophobicContact CB-CE2 4.1Å; A258-E277 WeakPolarHBondContact O-CA 3.28Å
259C97.3Very high95.5Very high47 Ų4772.3 Ų72.332%0.31839%0.391SS..EExtended strand (participates in β ladder)trans-139.6121.2178.9175.30000109.2S251 L257S251-C259 PolarHBondContact N-O 2.85Å; S251-C259 PolarHBondContact O-N 3.05Å; S251-C259 WeakPolarHBondContact OG-CB 3.33Å; S251-C259 PolarHBondContact OG-O 3.48Å; L257-C259 PolarHBondContact O-N 3.48Å
260F97.8Very high95.5Very high16 Ų1668.4 Ų68.47%0.0738%0.381CS..EExtended strand (participates in β ladder)trans-111.9131.7179.6-65-91.4000108.9L247 Q250 M253 A258 P275 G276 E277 I279 A282L247-F260 HydrophobicContact CD1-CD1 3.9Å; Q250-F260 HydrophobicContact CB-CD1 4.18Å; M253-F260 HydrophobicContact CE-CD1 4.31Å; M253-F260 HydrophobicContact CE-CE1 3.15Å; M253-F260 HydrophobicContact CE-CZ 3.35Å; M253-F260 HydrophobicContact SD-CD1 3.87Å; M253-F260 HydrophobicContact SD-CE1 3.08Å; M253-F260 WeakPolarHBondContact SD-CE1 3.35Å; M253-F260 HydrophobicContact SD-CE2 4.07Å; M253-F260 HydrophobicContact SD-CZ 3.19Å; M253-F260 WeakPolarHBondContact SD-CZ 3.07Å; A258-F260 HydrophobicContact CB-CE2 4.1Å; F260-P275 CarbonylContact O-C 3.55Å; F260-P275 VanDerWaalsContact O-C 3.27Å; F260-P275 WeakPolarHBondContact O-CA 3.26Å; F260-G276 PolarHBondContact N-O 3.02Å; F260-G276 PolarHBondContact O-N 3.08Å; F260-E277 WeakPolarHBondContact CD2-O 3.46Å; F260-E277 WeakPolarHBondContact CE2-O 3.28Å; F260-I279 HydrophobicContact CD1-CD1 4.37Å; F260-I279 HydrophobicContact CD1-CG1 3.54Å; F260-I279 HydrophobicContact CE1-CD1 3.93Å; F260-I279 HydrophobicContact CE1-CG1 3.47Å; F260-I279 VanDerWaalsContact CE1-CG1 3.47Å; F260-I279 HydrophobicContact CG-CG1 4.06Å; F260-I279 HydrophobicContact CZ-CG1 4.04Å; F260-A282 HydrophobicContact CB-CB 4.01Å; F260-A282 WeakPolarHBondContact O-CB 3.34Å
261E98.1Very high95.4Very high56 Ų5664 Ų6426%0.26236%0.362SS..EExtended strand (participates in β ladder)trans-112.5120176.6-166.5168.8-17600109.1L248 Y249L248-E261 PolarHBondContact N-O 3.36Å; Y249-E261 HydrophobicContact CD2-CB 4.35Å; Y249-E261 HydrophobicContact CD2-CG 4.41Å; Y249-E261 WeakPolarHBondContact CD2-OE2 3.2Å; Y249-E261 PolarHBondContact N-O 3.08Å; Y249-E261 PolarHBondContact O-N 3.4Å
262V98.4Very high95.5Very high1 Ų161.3 Ų61.31%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-115.5132.8-178175.80000108.8E273 A274 A282 E283 A286V262-E273 VanDerWaalsContact O-CA 3.25Å; V262-E273 WeakPolarHBondContact O-CA 3.44Å; V262-A274 PolarHBondContact N-O 2.8Å; V262-A274 PolarHBondContact O-N 2.92Å; V262-A282 HydrophobicContact CB-CB 4.19Å; V262-A282 HydrophobicContact CG2-CB 3.65Å; V262-E283 HydrophobicContact CG1-CG 3.92Å; V262-E283 HydrophobicContact CG2-CG 4.21Å; V262-A286 HydrophobicContact CB-CB 4.28Å; V262-A286 HydrophobicContact CG1-CB 4.28Å; V262-A286 VanDerWaalsContact O-CB 3.24Å; V262-A286 WeakPolarHBondContact O-CB 3.28Å
263G98.2Very high95.6Very high0 Ų062.2 Ų62.20%034%0.34CS..EExtended strand (participates in β ladder)trans-109.4142.717300000111.2R246 G272R246-G263 PolarHBondContact N-O 3.41Å; R246-G263 PolarHBondContact O-N 2.76Å; G263-G272 WeakPolarHBondContact CA-O 3.43Å
264I98Very high95.9Very high0 Ų059 Ų590%033%0.326CS..EExtended strand (participates in β ladder)trans-106.1132.1173.1-68.6143.6000109.6L231 P243 E244 T245 V271 G272 A286 L287 S290L231-I264 HydrophobicContact CD2-CD1 4.46Å; L231-I264 HydrophobicContact CD2-CG2 3.94Å; P243-I264 HydrophobicContact CB-CG2 3.79Å; E244-I264 WeakPolarHBondContact O-CA 3.29Å; T245-I264 HydrophobicContact CG2-CG1 3.96Å; I264-V271 PolarHBondContact O-N 3.4Å; I264-G272 PolarHBondContact N-O 3.35Å; I264-A286 HydrophobicContact CD1-CB 3.63Å; I264-A286 WeakPolarHBondContact CD1-O 2.74Å; I264-A286 HydrophobicContact CG1-CB 4.31Å; I264-L287 HydrophobicContact CD1-CB 4.05Å; I264-L287 HydrophobicContact CD1-CD2 3.55Å; I264-L287 HydrophobicContact CD1-CG 3.68Å; I264-L287 HydrophobicContact CG1-CD2 4.14Å; I264-S290 VanDerWaalsContact CD1-OG 3.26Å; I264-S290 WeakPolarHBondContact CD1-OG 3.43Å
265Y97.6Very high96.2Very high48 Ų4854.5 Ų54.519%0.18831%0.306CS..EExtended strand (participates in β ladder)trans-116.3145.5179.8-67.8-96.4000110.7P243 E244 R246 L248 Q269 L270P243-Y265 WeakPolarHBondContact CA-O 3.37Å; E244-Y265 PolarHBondContact N-O 3.02Å; E244-Y265 PolarHBondContact O-N 3.28Å; R246-Y265 HydrophobicContact CB-CD2 4.16Å; R246-Y265 HydrophobicContact CB-CE2 4.08Å; R246-Y265 HydrophobicContact CG-CD2 4.06Å; R246-Y265 HydrophobicContact CG-CE2 4.38Å; L248-Y265 HydrophobicContact CD2-CE2 4.09Å; L248-Y265 WeakPolarHBondContact CD2-OH 3.19Å; Y265-Q269 CarbonylContact C-O 3.35Å; Y265-Q269 WeakPolarHBondContact CA-O 3.25Å; Y265-L270 HydrophobicContact CD1-CB 4.22Å; Y265-L270 HydrophobicContact CD1-CD1 4.49Å; Y265-L270 HydrophobicContact CD2-CD1 4.36Å; Y265-L270 HydrophobicContact CE1-CB 3.83Å; Y265-L270 HydrophobicContact CE1-CD1 3.88Å; Y265-L270 HydrophobicContact CE2-CD1 3.71Å; Y265-L270 VanDerWaalsContact CZ-CD1 3.43Å
266S96Very high96.4Very high1 Ų151.2 Ų51.21%0.00729%0.287CS..EExtended strand (participates in β ladder)trans-133.7128.616664.30000107.6C268 Q269 V271S266-C268 PolarHBondContact O-N 3.16Å; S266-Q269 PolarHBondContact N-O 2.94Å; S266-Q269 PolarHBondContact O-N 3.18Å; S266-V271 VanDerWaalsContact OG-CG2 3.24Å; S266-V271 WeakPolarHBondContact OG-CG2 3.49Å
267D94.1Very high96.6Very high98 Ų9850.6 Ų50.652%0.52427%0.274SS..THydrogen-bonded Turntrans5043.3-179.2-56-37.6000113.8R240 G241 Q269R240-D267 WeakPolarHBondContact CA-OD2 3.19Å; G241-D267 WeakPolarHBondContact CA-OD1 3.38Å; G241-D267 PolarHBondContact N-OD1 2.98Å; G241-D267 PolarHBondContact N-OD2 3.2Å; D267-Q269 PolarHBondContact O-N 2.74Å
268C93.1Very high96.6Very high114 Ų11445.7 Ų45.777%0.7725%0.252SS*.THydrogen-bonded Turntrans63.613.1-176.4-52.80000115.8S266S266-C268 PolarHBondContact O-N 3.16Å
269Q95.9Very high96.5Very high111 Ų11148.5 Ų48.552%0.51926%0.264SS..EExtended strand (participates in β ladder)trans-107134.6173.5-60.9-178.41.800110.6Y265 S266 D267 V271Y265-Q269 CarbonylContact C-O 3.35Å; Y265-Q269 WeakPolarHBondContact CA-O 3.25Å; S266-Q269 PolarHBondContact N-O 2.94Å; S266-Q269 PolarHBondContact O-N 3.18Å; D267-Q269 PolarHBondContact O-N 2.74Å; Q269-V271 PolarHBondContact O-N 3.24Å
270L96.4Very high96.5Very high77 Ų7752 Ų5240%0.40328%0.279SS..EExtended strand (participates in β ladder)trans-69.2123.7173.3-174.488.9000109.2Y265Y265-L270 HydrophobicContact CD1-CB 4.22Å; Y265-L270 HydrophobicContact CD1-CD1 4.49Å; Y265-L270 HydrophobicContact CD2-CD1 4.36Å; Y265-L270 HydrophobicContact CE1-CB 3.83Å; Y265-L270 HydrophobicContact CE1-CD1 3.88Å; Y265-L270 HydrophobicContact CE2-CD1 3.71Å; Y265-L270 VanDerWaalsContact CZ-CD1 3.43Å
271V95.4Very high96.4Very high21 Ų2153.7 Ų53.713%0.12729%0.288CS..EExtended strand (participates in β ladder)trans-93.9-41.2177.7-174.60000110.7I264 S266 Q269 N293I264-V271 PolarHBondContact O-N 3.4Å; S266-V271 VanDerWaalsContact OG-CG2 3.24Å; S266-V271 WeakPolarHBondContact OG-CG2 3.49Å; Q269-V271 PolarHBondContact O-N 3.24Å; V271-N293 PolarHBondContact O-ND2 3.19Å
272G96.3Very high96.4Very high2 Ų251 Ų512%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-170.6160.9178.500000111.5G263 I264 S290G263-G272 WeakPolarHBondContact CA-O 3.43Å; I264-G272 PolarHBondContact N-O 3.35Å; G272-S290 WeakPolarHBondContact CA-OG 3.47Å; G272-S290 PolarHBondContact N-OG 2.83Å
273E96.8Very high96.3Very high88 Ų8853.9 Ų53.941%0.41129%0.289SS..EExtended strand (participates in β ladder)trans-140.4147.6178.663.8-166173.800109.1L248 V262 Q289L248-E273 HydrophobicContact CD1-CB 4Å; L248-E273 VanDerWaalsContact CD1-OE2 3.25Å; L248-E273 WeakPolarHBondContact CD1-OE2 3.36Å; V262-E273 VanDerWaalsContact O-CA 3.25Å; V262-E273 WeakPolarHBondContact O-CA 3.44Å; E273-Q289 WeakPolarHBondContact O-CG 3.32Å
274A97.3Very high96.3Very high9 Ų958.1 Ų58.17%0.07431%0.309CS..EExtended strand (participates in β ladder)trans-151150.2171.700000111.1V262 E285 A286 Q289V262-A274 PolarHBondContact N-O 2.8Å; V262-A274 PolarHBondContact O-N 2.92Å; A274-E285 VanDerWaalsContact CB-C 3.48Å; A274-E285 HydrophobicContact CB-CB 3.82Å; A274-A286 HydrophobicContact CB-CB 4.12Å; A274-Q289 HydrophobicContact CB-CB 4.31Å
275P97.4Very high96.2Very high70 Ų7062 Ų6246%0.45533%0.327SS..EExtended strand (participates in β ladder)trans-77.9167.9169.833.6-34.8000111.8F260F260-P275 CarbonylContact O-C 3.55Å; F260-P275 VanDerWaalsContact O-C 3.27Å; F260-P275 WeakPolarHBondContact O-CA 3.26Å
276G96.8Very high96.2Very high9 Ų959.7 Ų59.79%0.09332%0.318CS..EExtended strand (participates in β ladder)trans-169.9158.5170.600000112F260 S278F260-G276 PolarHBondContact N-O 3.02Å; F260-G276 PolarHBondContact O-N 3.08Å; G276-S278 VanDerWaalsContact C-N 3.27Å; G276-S278 PolarHBondContact O-N 2.97Å
277E95.8Very high96.3Very high136 Ų13660.1 Ų60.164%0.63632%0.32SS*.SBendtrans-70.6-24.3-178.464.6174.8-164.500113.5A258 F260 I281A258-E277 WeakPolarHBondContact O-CA 3.28Å; F260-E277 WeakPolarHBondContact CD2-O 3.46Å; F260-E277 WeakPolarHBondContact CE2-O 3.28Å; E277-I281 HydrophobicContact CG-CD1 3.55Å; E277-I281 WeakPolarHBondContact OE1-CD1 3.39Å
278S95.1Very high96.4Very high40 Ų4058.9 Ų58.928%0.2831%0.308SS..SBendtrans-135.3159.3176.3720000109.7G276 L280 I281 A282G276-S278 VanDerWaalsContact C-N 3.27Å; G276-S278 PolarHBondContact O-N 2.97Å; S278-L280 VanDerWaalsContact C-N 3.28Å; S278-L280 PolarHBondContact O-N 3.4Å; S278-I281 PolarHBondContact O-N 3.12Å; S278-I281 WeakPolarHBondContact OG-CD1 3.36Å; S278-I281 WeakPolarHBondContact OG-CG1 3.49Å; S278-I281 PolarHBondContact OG-N 3.41Å; S278-A282 WeakPolarHBondContact O-CB 3.42Å; S278-A282 PolarHBondContact O-N 3.3Å
279I95.4Very high96.5Very high74 Ų7456.3 Ų56.338%0.37929%0.285SS..Hα-helixtrans-57-42.8-179.7-59.7170.1000111.2L247 F260 A282 E283L247-I279 HydrophobicContact CD1-CG1 4.38Å; F260-I279 HydrophobicContact CD1-CD1 4.37Å; F260-I279 HydrophobicContact CD1-CG1 3.54Å; F260-I279 HydrophobicContact CE1-CD1 3.93Å; F260-I279 HydrophobicContact CE1-CG1 3.47Å; F260-I279 VanDerWaalsContact CE1-CG1 3.47Å; F260-I279 HydrophobicContact CG-CG1 4.06Å; F260-I279 HydrophobicContact CZ-CG1 4.04Å; I279-A282 PolarHBondContact O-N 3.49Å; I279-E283 HydrophobicContact CG2-CG 4.46Å; I279-E283 WeakPolarHBondContact O-CB 3.35Å; I279-E283 VanDerWaalsContact O-CG 3.3Å; I279-E283 WeakPolarHBondContact O-CG 3.31Å; I279-E283 PolarHBondContact O-N 3.35Å
280L95.8Very high96.5Very high122 Ų12251 Ų5164%0.63926%0.26SS*.Hα-helixtrans-66.1-41.9-179.4-61.5178000112S278 E283 E284S278-L280 VanDerWaalsContact C-N 3.28Å; S278-L280 PolarHBondContact O-N 3.4Å; L280-E283 PolarHBondContact O-N 2.91Å; L280-E284 WeakPolarHBondContact O-CG 3.32Å; L280-E284 PolarHBondContact O-N 3.5Å
281I96.4Very high96.5Very high50 Ų5047.3 Ų47.326%0.25624%0.241SC..Hα-helixtrans-67.5-44.1177.7-68169.9000110.1E277 S278 E283 E284 E285E277-I281 HydrophobicContact CG-CD1 3.55Å; E277-I281 WeakPolarHBondContact OE1-CD1 3.39Å; S278-I281 PolarHBondContact O-N 3.12Å; S278-I281 WeakPolarHBondContact OG-CD1 3.36Å; S278-I281 WeakPolarHBondContact OG-CG1 3.49Å; S278-I281 PolarHBondContact OG-N 3.41Å; I281-E283 VanDerWaalsContact C-N 3.32Å; I281-E283 PolarHBondContact O-N 2.98Å; I281-E284 PolarHBondContact O-N 2.72Å; I281-E285 HydrophobicContact CG2-CG 4.27Å; I281-E285 WeakPolarHBondContact CG2-OE1 3.36Å; I281-E285 WeakPolarHBondContact O-CB 3.21Å; I281-E285 WeakPolarHBondContact O-CG 3.34Å; I281-E285 PolarHBondContact O-N 2.89Å
282A97.6Very high96.4Very high0 Ų048.2 Ų48.20%024%0.243CC..Hα-helixtrans-60.8-40.8176.100000111.8F260 V262 S278 I279 A286F260-A282 HydrophobicContact CB-CB 4.01Å; F260-A282 WeakPolarHBondContact O-CB 3.34Å; V262-A282 HydrophobicContact CB-CB 4.19Å; V262-A282 HydrophobicContact CG2-CB 3.65Å; S278-A282 WeakPolarHBondContact O-CB 3.42Å; S278-A282 PolarHBondContact O-N 3.3Å; I279-A282 PolarHBondContact O-N 3.49Å; A282-A286 WeakPolarHBondContact O-CB 3.34Å; A282-A286 PolarHBondContact O-N 3.42Å
283E97.3Very high96.3Very high61 Ų6150.7 Ų50.729%0.28526%0.256SS..Hα-helixtrans-59.9-48.8173-79.2174.5-179.100111.8T245 V262 I279 L280 I281 A286 L287T245-E283 HydrophobicContact CG2-CG 4.42Å; V262-E283 HydrophobicContact CG1-CG 3.92Å; V262-E283 HydrophobicContact CG2-CG 4.21Å; I279-E283 HydrophobicContact CG2-CG 4.46Å; I279-E283 WeakPolarHBondContact O-CB 3.35Å; I279-E283 VanDerWaalsContact O-CG 3.3Å; I279-E283 WeakPolarHBondContact O-CG 3.31Å; I279-E283 PolarHBondContact O-N 3.35Å; L280-E283 PolarHBondContact O-N 2.91Å; I281-E283 VanDerWaalsContact C-N 3.32Å; I281-E283 PolarHBondContact O-N 2.98Å; E283-A286 PolarHBondContact O-N 3.18Å; E283-L287 VanDerWaalsContact O-CG 3.22Å; E283-L287 WeakPolarHBondContact O-CG 3.3Å; E283-L287 PolarHBondContact O-N 3.35Å
284E96.9Very high96.1Very high90 Ų9048.8 Ų48.842%0.42125%0.246SC..Hα-helixtrans-64.4-42.3178.4-71.5-173-176.800113L280 I281 L287 R288L280-E284 WeakPolarHBondContact O-CG 3.32Å; L280-E284 PolarHBondContact O-N 3.5Å; I281-E284 PolarHBondContact O-N 2.72Å; E284-L287 PolarHBondContact O-N 3.24Å; E284-R288 WeakPolarHBondContact O-CG 3.38Å; E284-R288 PolarHBondContact O-N 3.36Å; E284-R288 IonicContact OE2-CZ 3.66Å; E284-R288 IonicContact OE2-NH1 3.75Å; E284-R288 IonicContact OE2-NH2 2.79Å; E284-R288 PolarHBondContact OE2-NH2 3.07Å
285E96.4Very high95.9Very high80 Ų8048.5 Ų48.537%0.37424%0.243SC..Hα-helixtrans-65.3-40.7176.9-72.9-175.8-160.200111.4A274 I281 L287 R288 Q289A274-E285 VanDerWaalsContact CB-C 3.48Å; A274-E285 HydrophobicContact CB-CB 3.82Å; I281-E285 HydrophobicContact CG2-CG 4.27Å; I281-E285 WeakPolarHBondContact CG2-OE1 3.36Å; I281-E285 WeakPolarHBondContact O-CB 3.21Å; I281-E285 WeakPolarHBondContact O-CG 3.34Å; I281-E285 PolarHBondContact O-N 2.89Å; E285-L287 VanDerWaalsContact C-N 3.28Å; E285-L287 PolarHBondContact O-N 3.48Å; E285-R288 PolarHBondContact O-N 3.23Å; E285-Q289 WeakPolarHBondContact O-CB 3.28Å; E285-Q289 PolarHBondContact O-N 3.08Å
286A97.9Very high95.6Very high0 Ų051.5 Ų51.50%025%0.249CC..Hα-helixtrans-62.7-39175.400000110.8V262 I264 A274 A282 E283 Q289 S290V262-A286 HydrophobicContact CB-CB 4.28Å; V262-A286 HydrophobicContact CG1-CB 4.28Å; V262-A286 VanDerWaalsContact O-CB 3.24Å; V262-A286 WeakPolarHBondContact O-CB 3.28Å; I264-A286 HydrophobicContact CD1-CB 3.63Å; I264-A286 WeakPolarHBondContact CD1-O 2.74Å; I264-A286 HydrophobicContact CG1-CB 4.31Å; A274-A286 HydrophobicContact CB-CB 4.12Å; A282-A286 WeakPolarHBondContact O-CB 3.34Å; A282-A286 PolarHBondContact O-N 3.42Å; E283-A286 PolarHBondContact O-N 3.18Å; A286-Q289 PolarHBondContact O-N 3.35Å; A286-S290 WeakPolarHBondContact O-CB 3.31Å; A286-S290 PolarHBondContact O-N 3.11Å; A286-S290 PolarHBondContact O-OG 3.05Å
287L97.5Very high95.3Very high10 Ų1051.2 Ų51.25%0.05225%0.245CC..Hα-helixtrans-65.4-43.9177.1-70.2165.9000110.7P227 L228 L231 I264 E283 E284 E285 S290 I291P227-L287 HydrophobicContact CB-CB 3.67Å; P227-L287 HydrophobicContact CG-CB 3.79Å; P227-L287 HydrophobicContact CG-CD1 4.15Å; L228-L287 HydrophobicContact CB-CD1 3.81Å; L228-L287 HydrophobicContact CG-CD1 4.32Å; L231-L287 HydrophobicContact CD2-CD2 3.62Å; I264-L287 HydrophobicContact CD1-CB 4.05Å; I264-L287 HydrophobicContact CD1-CD2 3.55Å; I264-L287 HydrophobicContact CD1-CG 3.68Å; I264-L287 HydrophobicContact CG1-CD2 4.14Å; E283-L287 VanDerWaalsContact O-CG 3.22Å; E283-L287 WeakPolarHBondContact O-CG 3.3Å; E283-L287 PolarHBondContact O-N 3.35Å; E284-L287 PolarHBondContact O-N 3.24Å; E285-L287 VanDerWaalsContact C-N 3.28Å; E285-L287 PolarHBondContact O-N 3.48Å; L287-S290 PolarHBondContact O-N 2.78Å; L287-I291 WeakPolarHBondContact O-CG1 3.42Å; L287-I291 PolarHBondContact O-N 3.02Å; L287-I291 VanDerWaalsContact O-N 3.12Å
288R96Very high94.8Very high73 Ų7346.7 Ų46.728%0.27523%0.227SC..Hα-helixtrans-61-44.8174.3-68177.5-166104.66.2111I224 P227 E284 E285 S290 I291 K292I224-R288 HydrophobicContact CB-CG 4.37Å; P227-R288 HydrophobicContact CB-CG 3.93Å; P227-R288 HydrophobicContact CG-CG 4.12Å; E284-R288 WeakPolarHBondContact O-CG 3.38Å; E284-R288 PolarHBondContact O-N 3.36Å; E284-R288 IonicContact OE2-CZ 3.66Å; E284-R288 IonicContact OE2-NH1 3.75Å; E284-R288 IonicContact OE2-NH2 2.79Å; E284-R288 PolarHBondContact OE2-NH2 3.07Å; E285-R288 PolarHBondContact O-N 3.23Å; R288-S290 VanDerWaalsContact C-N 3.34Å; R288-S290 PolarHBondContact O-N 3.29Å; R288-I291 PolarHBondContact O-N 3.24Å; R288-K292 WeakPolarHBondContact O-CG 3.14Å; R288-K292 PolarHBondContact O-N 3.02Å
289Q95.7Very high94.3Very high59 Ų5951 Ų5128%0.27625%0.247SC..Hα-helixtrans-64.2-38.9178.3-170.36118.600112.1E273 A274 E285 A286 I291 K292 N293E273-Q289 WeakPolarHBondContact O-CG 3.32Å; A274-Q289 HydrophobicContact CB-CB 4.31Å; E285-Q289 WeakPolarHBondContact O-CB 3.28Å; E285-Q289 PolarHBondContact O-N 3.08Å; A286-Q289 PolarHBondContact O-N 3.35Å; Q289-I291 VanDerWaalsContact C-N 3.33Å; Q289-I291 PolarHBondContact O-N 2.89Å; Q289-K292 WeakPolarHBondContact O-CB 3.32Å; Q289-K292 PolarHBondContact O-N 2.95Å; Q289-N293 PolarHBondContact NE2-OD1 3.35Å; Q289-N293 WeakPolarHBondContact O-CB 3.31Å; Q289-N293 PolarHBondContact O-N 3.46Å; Q289-N293 PolarHBondContact O-OD1 3.23Å
290S96.1Very high93.8Very high0 Ų054.9 Ų54.90%027%0.269CS..Hα-helixtrans-60.9-41.9175.5-62.40000112I264 G272 A286 L287 R288 F294I264-S290 VanDerWaalsContact CD1-OG 3.26Å; I264-S290 WeakPolarHBondContact CD1-OG 3.43Å; G272-S290 WeakPolarHBondContact CA-OG 3.47Å; G272-S290 PolarHBondContact N-OG 2.83Å; A286-S290 WeakPolarHBondContact O-CB 3.31Å; A286-S290 PolarHBondContact O-N 3.11Å; A286-S290 PolarHBondContact O-OG 3.05Å; L287-S290 PolarHBondContact O-N 2.78Å; R288-S290 VanDerWaalsContact C-N 3.34Å; R288-S290 PolarHBondContact O-N 3.29Å; S290-F294 PolarHBondContact O-N 2.87Å
291I95.9Very high93.3Very high0 Ų051.8 Ų51.80%025%0.248CC..Hα-helixtrans-66.3-42.7175.6-64.8162.6000110.9W132 I224 P227 L230 L231 I234 L287 R288 Q289 F294 F295W132-I291 HydrophobicContact CH2-CG2 3.97Å; W132-I291 HydrophobicContact CZ2-CG2 4.16Å; I224-I291 HydrophobicContact CD1-CB 4.27Å; I224-I291 HydrophobicContact CD1-CG2 4.01Å; I224-I291 HydrophobicContact CG2-CD1 3.79Å; P227-I291 HydrophobicContact CB-CD1 3.77Å; P227-I291 WeakPolarHBondContact O-CD1 3.29Å; L230-I291 HydrophobicContact CB-CD1 4.2Å; L230-I291 HydrophobicContact CD2-CD1 4Å; L230-I291 HydrophobicContact CD2-CG2 4.38Å; L230-I291 HydrophobicContact CG-CD1 4.15Å; L231-I291 HydrophobicContact CB-CD1 4.26Å; L231-I291 HydrophobicContact CB-CG1 3.99Å; L231-I291 HydrophobicContact CD1-CG1 4Å; I234-I291 HydrophobicContact CD1-CG1 4.31Å; I234-I291 HydrophobicContact CD1-CG2 4.07Å; L287-I291 WeakPolarHBondContact O-CG1 3.42Å; L287-I291 PolarHBondContact O-N 3.02Å; L287-I291 VanDerWaalsContact O-N 3.12Å; R288-I291 PolarHBondContact O-N 3.24Å; Q289-I291 VanDerWaalsContact C-N 3.33Å; Q289-I291 PolarHBondContact O-N 2.89Å; I291-F294 WeakPolarHBondContact O-CB 3.43Å; I291-F294 PolarHBondContact O-N 3.42Å; I291-F295 HydrophobicContact CG2-CD2 3.87Å; I291-F295 HydrophobicContact CG2-CE2 3.84Å; I291-F295 VanDerWaalsContact O-CD2 3.32Å; I291-F295 WeakPolarHBondContact O-CD2 3.39Å; I291-F295 PolarHBondContact O-N 3.02Å
292K94.5Very high92.8Very high39 Ų3954.7 Ų54.717%0.1727%0.27CS..Hα-helixtrans-59-48.2175.8-74.5178.5179.6-178.90111.6I224 R288 Q289 F294 F295 K296 L297I224-K292 HydrophobicContact CD1-CG 4.12Å; R288-K292 WeakPolarHBondContact O-CG 3.14Å; R288-K292 PolarHBondContact O-N 3.02Å; Q289-K292 WeakPolarHBondContact O-CB 3.32Å; Q289-K292 PolarHBondContact O-N 2.95Å; K292-F294 VanDerWaalsContact C-N 3.29Å; K292-F294 PolarHBondContact O-N 3.11Å; K292-F295 CarbonylContact O-C 3.53Å; K292-F295 PolarHBondContact O-N 3.44Å; K292-K296 PolarHBondContact O-N 3.32Å; K292-K296 VanDerWaalsContact O-N 3.12Å; K292-L297 HydrophobicContact CB-CB 4.27Å; K292-L297 WeakPolarHBondContact CB-O 3.33Å; K292-L297 HydrophobicContact CD-CD2 4.21Å; K292-L297 HydrophobicContact CG-CD2 4.1Å; K292-L297 PolarHBondContact O-N 3.42Å
293N93.8Very high92.2Very high55 Ų5559.4 Ų59.429%0.29430%0.304SS..Hα-helixtrans-57.4-43.1176.2-69.7-7.1000111.6V271 Q289 F295 K296V271-N293 PolarHBondContact O-ND2 3.19Å; Q289-N293 PolarHBondContact NE2-OD1 3.35Å; Q289-N293 WeakPolarHBondContact O-CB 3.31Å; Q289-N293 PolarHBondContact O-N 3.46Å; Q289-N293 PolarHBondContact O-OD1 3.23Å; N293-F295 VanDerWaalsContact C-N 3.34Å; N293-F295 PolarHBondContact O-N 2.96Å; N293-K296 PolarHBondContact O-N 2.94Å; N293-K296 VanDerWaalsContact O-N 3.09Å
294F92.7Very high91.8Very high47 Ų4757 Ų5721%0.20629%0.293CS..Hα-helixtrans-58-45.6179.5-172.2-93.2000112.5I234 E238 S290 I291 K292 K296I234-F294 HydrophobicContact CG2-CB 4.48Å; I234-F294 HydrophobicContact CG2-CD1 3.34Å; I234-F294 HydrophobicContact CG2-CD2 3.69Å; I234-F294 HydrophobicContact CG2-CE1 3.29Å; I234-F294 HydrophobicContact CG2-CE2 3.65Å; I234-F294 HydrophobicContact CG2-CG 3.54Å; I234-F294 HydrophobicContact CG2-CZ 3.45Å; I234-F294 VanDerWaalsContact CG2-CZ 3.45Å; E238-F294 HydrophobicContact CG-CE2 3.65Å; E238-F294 HydrophobicContact CG-CZ 3.51Å; E238-F294 WeakPolarHBondContact OE1-CZ 3.41Å; S290-F294 PolarHBondContact O-N 2.87Å; I291-F294 WeakPolarHBondContact O-CB 3.43Å; I291-F294 PolarHBondContact O-N 3.42Å; K292-F294 VanDerWaalsContact C-N 3.29Å; K292-F294 PolarHBondContact O-N 3.11Å; F294-K296 VanDerWaalsContact C-N 3.27Å; F294-K296 PolarHBondContact O-N 3.04Å
295F93Very high91.2Very high4 Ų455.2 Ų55.22%0.01829%0.289CS..THydrogen-bonded Turntrans-86.18.6178.6-66.1-61.7000114Q127 F128 P129 W132 I234 I291 K292 N293 L297 Y328Q127-F295 HydrophobicContact CB-CD1 4.47Å; Q127-F295 WeakPolarHBondContact O-CD1 3.49Å; Q127-F295 WeakPolarHBondContact O-CE1 3.21Å; F128-F295 HydrophobicContact CD1-CB 4.28Å; F128-F295 HydrophobicContact CE1-CB 4.43Å; F128-F295 WeakPolarHBondContact CE1-O 3.3Å; P129-F295 HydrophobicContact CG-CD1 4.38Å; P129-F295 HydrophobicContact CG-CD2 4.4Å; P129-F295 HydrophobicContact CG-CE1 3.83Å; P129-F295 HydrophobicContact CG-CE2 3.84Å; P129-F295 HydrophobicContact CG-CZ 3.53Å; W132-F295 HydrophobicContact CH2-CB 4.38Å; W132-F295 AromaticContact CH2-CD2 3.42Å; W132-F295 HydrophobicContact CH2-CD2 3.42Å; W132-F295 VanDerWaalsContact CH2-CD2 3.42Å; W132-F295 HydrophobicContact CH2-CE2 4.04Å; W132-F295 HydrophobicContact CH2-CG 4.21Å; W132-F295 HydrophobicContact CZ2-CD2 4.29Å; W132-F295 HydrophobicContact CZ2-CE2 4.5Å; W132-F295 HydrophobicContact CZ3-CB 3.84Å; W132-F295 AromaticContact CZ3-CD2 3.64Å; W132-F295 HydrophobicContact CZ3-CD2 3.64Å; W132-F295 HydrophobicContact CZ3-CE2 4.47Å; W132-F295 AromaticContact CZ3-CG 3.96Å; W132-F295 HydrophobicContact CZ3-CG 3.96Å; I234-F295 HydrophobicContact CD1-CE2 3.61Å; I234-F295 HydrophobicContact CD1-CZ 3.85Å; I234-F295 HydrophobicContact CG1-CZ 4.27Å; I291-F295 HydrophobicContact CG2-CD2 3.87Å; I291-F295 HydrophobicContact CG2-CE2 3.84Å; I291-F295 VanDerWaalsContact O-CD2 3.32Å; I291-F295 WeakPolarHBondContact O-CD2 3.39Å; I291-F295 PolarHBondContact O-N 3.02Å; K292-F295 CarbonylContact O-C 3.53Å; K292-F295 PolarHBondContact O-N 3.44Å; N293-F295 VanDerWaalsContact C-N 3.34Å; N293-F295 PolarHBondContact O-N 2.96Å; F295-L297 PolarHBondContact O-N 3.48Å; F295-Y328 HydrophobicContact CZ-CE2 4.02Å
296K91.5Very high90.7Very high132 Ų13253.4 Ų53.457%0.57428%0.282SS*.THydrogen-bonded Turntrans55.531.8-174.9-56.1178.8-173.3167.80113.5Q127 K292 N293 F294 T298Q127-K296 VanDerWaalsContact OE1-CE 3.25Å; K292-K296 PolarHBondContact O-N 3.32Å; K292-K296 VanDerWaalsContact O-N 3.12Å; N293-K296 PolarHBondContact O-N 2.94Å; N293-K296 VanDerWaalsContact O-N 3.09Å; F294-K296 VanDerWaalsContact C-N 3.27Å; F294-K296 PolarHBondContact O-N 3.04Å; K296-T298 PolarHBondContact O-N 3.36Å; K296-T298 VanDerWaalsContact O-N 3.13Å
297L89.8Confident90.1Very high3 Ų360.8 Ų60.82%0.01632%0.316CS..  trans-85.268.4169.5-163.1165.1000107.9F128 W132 T219 I222 K292 F295F128-L297 HydrophobicContact CE1-CB 4.09Å; F128-L297 HydrophobicContact CE1-CD1 4.46Å; F128-L297 HydrophobicContact CE1-CG 4.46Å; F128-L297 HydrophobicContact CE2-CD1 4.17Å; F128-L297 HydrophobicContact CZ-CB 3.97Å; F128-L297 HydrophobicContact CZ-CD1 3.81Å; F128-L297 HydrophobicContact CZ-CG 3.84Å; W132-L297 HydrophobicContact CE3-CD1 3.94Å; W132-L297 HydrophobicContact CH2-CD1 4.32Å; W132-L297 HydrophobicContact CZ3-CD1 3.63Å; T219-L297 HydrophobicContact CG2-CD2 3.39Å; I222-L297 HydrophobicContact CB-CD1 4.48Å; I222-L297 HydrophobicContact CD1-CD1 3.47Å; I222-L297 VanDerWaalsContact CD1-CD1 3.47Å; I222-L297 HydrophobicContact CG2-CD1 4.48Å; K292-L297 HydrophobicContact CB-CB 4.27Å; K292-L297 WeakPolarHBondContact CB-O 3.33Å; K292-L297 HydrophobicContact CD-CD2 4.21Å; K292-L297 HydrophobicContact CG-CD2 4.1Å; K292-L297 PolarHBondContact O-N 3.42Å; F295-L297 PolarHBondContact O-N 3.48Å
298T85.4Confident89.4Confident42 Ų4262.7 Ų62.726%0.25834%0.337SS..SBendtrans-115.1158.4177.1540000109.7K296 D300 R301K296-T298 PolarHBondContact O-N 3.36Å; K296-T298 VanDerWaalsContact O-N 3.13Å; T298-D300 PolarHBondContact O-N 3.33Å; T298-R301 VanDerWaalsContact O-CB 3.25Å; T298-R301 WeakPolarHBondContact O-CB 3.49Å; T298-R301 VanDerWaalsContact O-CG 3.29Å; T298-R301 WeakPolarHBondContact O-CG 3.37Å; T298-R301 PolarHBondContact O-N 3.42Å; T298-R301 VanDerWaalsContact O-N 3.07Å
299D84.2Confident88.7Confident130 Ų13065.2 Ų65.270%0.69536%0.357SS*.THydrogen-bonded Turntrans-60.8-30.1179.1-60.1-14.2000111.9R301D299-R301 PolarHBondContact O-N 3.35Å; D299-R301 VanDerWaalsContact O-N 3.14Å
300D85.5Confident87.7Confident156 Ų15663.6 Ų63.683%0.83435%0.35SS*.THydrogen-bonded Turntrans-76.710.6177.5-60.7-25.6000114.4T298T298-D300 PolarHBondContact O-N 3.33Å
301R85.3Confident86.5Confident56 Ų5670 Ų7021%0.21138%0.384CS..PPolyproline II helixtrans-60.3148.4179.964.2-176-178.283.6-7111.7Y125 T298 D299Y125-R301 PolarHBondContact OH-NH1 3.31Å; T298-R301 VanDerWaalsContact O-CB 3.25Å; T298-R301 WeakPolarHBondContact O-CB 3.49Å; T298-R301 VanDerWaalsContact O-CG 3.29Å; T298-R301 WeakPolarHBondContact O-CG 3.37Å; T298-R301 PolarHBondContact O-N 3.42Å; T298-R301 VanDerWaalsContact O-N 3.07Å; D299-R301 PolarHBondContact O-N 3.35Å; D299-R301 VanDerWaalsContact O-N 3.14Å
302P86.1Confident85Confident111 Ų11175.5 Ų75.572%0.72142%0.417SS*.PPolyproline II helixtrans-58.9146.9171.725.9-33.8000110.8
303S85.1Confident83.7Confident100 Ų10075.7 Ų75.770%0.69942%0.42SS*.PPolyproline II helixtrans-65.4152.2173.956.40000110.8
304I87.6Confident82.9Confident10 Ų1076.7 Ų76.75%0.05143%0.425CS..PPolyproline II helixtrans-63.9133.7177.9-61.5168.2000108.4F120 Y125 L213 L306F120-I304 HydrophobicContact CE1-CG2 3.84Å; F120-I304 HydrophobicContact CZ-CG2 4.08Å; Y125-I304 WeakPolarHBondContact OH-CG1 3.47Å; L213-I304 HydrophobicContact CB-CD1 3.45Å; L213-I304 VanDerWaalsContact CB-CD1 3.45Å; L213-I304 HydrophobicContact CD1-CD1 3.89Å; L213-I304 HydrophobicContact CG-CD1 4.33Å; I304-L306 VanDerWaalsContact C-N 3.32Å; I304-L306 HydrophobicContact CB-CG 4.42Å; I304-L306 HydrophobicContact CG2-CD2 4.1Å; I304-L306 HydrophobicContact CG2-CG 4.25Å; I304-L306 PolarHBondContact O-N 3.02Å
305P86.3Confident82.3Confident53 Ų5376.9 Ų76.934%0.34443%0.428SS..  trans-71.286.9178.229.1-34.8000110.7F120 V124F120-P305 HydrophobicContact CZ-CG 4.31Å; V124-P305 HydrophobicContact CG2-CG 3.79Å
306L85.5Confident81.8Confident42 Ų4285.2 Ų85.222%0.2247%0.467CS..  trans-88-4.7178.7-64.9167.6000113.2R206 L210 T211 I304R206-L306 HydrophobicContact CG-CD2 4.44Å; R206-L306 PolarHBondContact NE-O 3.44Å; R206-L306 VanDerWaalsContact NE-O 3.17Å; L210-L306 HydrophobicContact CB-CD2 3.97Å; T211-L306 HydrophobicContact CG2-CD1 4Å; T211-L306 HydrophobicContact CG2-CD2 4.07Å; I304-L306 VanDerWaalsContact C-N 3.32Å; I304-L306 HydrophobicContact CB-CG 4.42Å; I304-L306 HydrophobicContact CG2-CD2 4.1Å; I304-L306 HydrophobicContact CG2-CG 4.25Å; I304-L306 PolarHBondContact O-N 3.02Å
307H85.3Confident81.5Confident155 Ų15585.9 Ų85.972%0.71847%0.47SS*.SBendtrans-127.2158.3-178.756-87.8000111.1
308G82.7Confident81.3Confident49 Ų4988.7 Ų88.751%0.50548%0.482SS..SBendtrans104.3-175.3179.500000114R206R206-G308 PolarHBondContact NH1-O 3.02Å
309N81.1Confident81.4Confident127 Ų12790.4 Ų90.468%0.67950%0.496SS*.  trans-80.5134.2179.9-66.7-6.2000110.1D311 V312N309-D311 VanDerWaalsContact C-N 3.28Å; N309-D311 PolarHBondContact O-N 2.96Å; N309-V312 HydrophobicContact CB-CG2 4.35Å
310L75.4Confident81.7Confident25 Ų2591.4 Ų91.413%0.13150%0.497CS..G310 helixtrans-67.6-29.2176.9-70.4175.2000112.3F116 H202 L203 V312 L313F116-L310 HydrophobicContact CE2-CD2 4.35Å; F116-L310 HydrophobicContact CZ-CD2 4.05Å; H202-L310 HydrophobicContact CB-CD1 3.68Å; L203-L310 HydrophobicContact CD2-CD1 3.59Å; L203-L310 HydrophobicContact CD2-CG 3.91Å; L203-L310 HydrophobicContact CG-CD1 3.83Å; L310-V312 PolarHBondContact O-N 3.06Å; L310-L313 WeakPolarHBondContact O-CB 3.41Å; L310-L313 PolarHBondContact O-N 3.06Å
311D70.1Confident82.1Confident133 Ų13388.2 Ų88.271%0.71148%0.484SS*.G310 helixtrans-59-19.5-177.8-52.2-14.9000114.1N309 L313N309-D311 VanDerWaalsContact C-N 3.28Å; N309-D311 PolarHBondContact O-N 2.96Å; D311-L313 PolarHBondContact O-N 3.35Å
312V64.1Low82.4Confident117 Ų11787 Ų8771%0.70948%0.482SS*.G310 helixtrans-71.7-22.4176.9-174.60000111.2N309 L310N309-V312 HydrophobicContact CB-CG2 4.35Å; L310-V312 PolarHBondContact O-N 3.06Å
313L67.6Low82.8Confident43 Ų4386.1 Ų86.123%0.22547%0.47CS..SBendtrans-89.5107.2176.9-56.9175.1000108.3F120 L310 D311 L315F120-L313 HydrophobicContact CD2-CD1 3.56Å; F120-L313 HydrophobicContact CE2-CD1 3.5Å; F120-L313 VanDerWaalsContact CE2-CD1 3.5Å; L310-L313 WeakPolarHBondContact O-CB 3.41Å; L310-L313 PolarHBondContact O-N 3.06Å; D311-L313 PolarHBondContact O-N 3.35Å; L313-L315 HydrophobicContact CB-CD2 4.45Å; L313-L315 PolarHBondContact O-N 3.01Å
314D76.1Confident83.2Confident76 Ų7683.6 Ų83.641%0.40645%0.452SS..  trans-67.176.6173.7-72.6-37.3000110.7E316 K317 F318D314-E316 PolarHBondContact O-N 3.48Å; D314-E316 VanDerWaalsContact O-N 3.09Å; D314-K317 HydrophobicContact CB-CB 4.07Å; D314-K317 HydrophobicContact CB-CD 3.68Å; D314-K317 HydrophobicContact CB-CG 3.85Å; D314-K317 PolarHBondContact O-N 2.9Å; D314-K317 WeakPolarHBondContact OD2-CD 3.49Å; D314-K317 WeakPolarHBondContact OD2-CE 3.44Å; D314-K317 IonicContact OD2-NZ 3.43Å; D314-K317 PolarHBondContact OD2-NZ 2.87Å; D314-F318 WeakPolarHBondContact O-CD2 3.23Å; D314-F318 PolarHBondContact O-N 3.41Å
315L80.5Confident83.4Confident51 Ų5183.7 Ų83.727%0.26745%0.453SS..THydrogen-bonded Turntrans-55.7-30.9-177.3-64.2174.8000112.2F116 P119 L313 F318 S319F116-L315 HydrophobicContact CD2-CD1 4.31Å; F116-L315 HydrophobicContact CE2-CD1 4.35Å; P119-L315 HydrophobicContact CB-CB 4.41Å; P119-L315 HydrophobicContact CB-CD2 4.04Å; L313-L315 HydrophobicContact CB-CD2 4.45Å; L313-L315 PolarHBondContact O-N 3.01Å; L315-F318 PolarHBondContact O-N 2.91Å; L315-S319 PolarHBondContact O-N 3.31Å
316E82.8Confident83.7Confident178 Ų17885.5 Ų85.583%0.83246%0.46SS*.THydrogen-bonded Turntrans-64.9-39.7176.9-63.5-173.1170.300112.6D314 F318 S319D314-E316 PolarHBondContact O-N 3.48Å; D314-E316 VanDerWaalsContact O-N 3.09Å; E316-F318 VanDerWaalsContact C-N 3.33Å; E316-F318 PolarHBondContact O-N 3.06Å; E316-S319 VanDerWaalsContact O-CB 3.32Å; E316-S319 WeakPolarHBondContact O-CB 3.44Å; E316-S319 PolarHBondContact O-N 3.35Å
317K84.5Confident84.1Confident146 Ų14688.8 Ų88.864%0.63547%0.47SS*.G310 helixtrans-66.2-39179-69.3-178.9-174.71650111.3D314 S319D314-K317 HydrophobicContact CB-CB 4.07Å; D314-K317 HydrophobicContact CB-CD 3.68Å; D314-K317 HydrophobicContact CB-CG 3.85Å; D314-K317 PolarHBondContact O-N 2.9Å; D314-K317 WeakPolarHBondContact OD2-CD 3.49Å; D314-K317 WeakPolarHBondContact OD2-CE 3.44Å; D314-K317 IonicContact OD2-NZ 3.43Å; D314-K317 PolarHBondContact OD2-NZ 2.87Å; K317-S319 VanDerWaalsContact C-N 3.28Å; K317-S319 PolarHBondContact O-N 3.23Å
318F86.2Confident84.6Confident62 Ų6282.4 Ų82.427%0.27244%0.44SS..G310 helixtrans-89.210.5-178.4-63.1-73.5000113.6P119 R122 S123 D314 L315 E316 Q320P119-F318 WeakPolarHBondContact CA-O 3.43Å; P119-F318 HydrophobicContact CB-CB 4.11Å; P119-F318 WeakPolarHBondContact O-CB 3.5Å; R122-F318 HydrophobicContact CB-CB 4Å; R122-F318 HydrophobicContact CB-CD1 4.06Å; R122-F318 HydrophobicContact CB-CG 4.39Å; R122-F318 WeakPolarHBondContact CD-O 3.26Å; R122-F318 PolarHBondContact NH1-O 3.31Å; S123-F318 VanDerWaalsContact CB-CD2 3.47Å; D314-F318 WeakPolarHBondContact O-CD2 3.23Å; D314-F318 PolarHBondContact O-N 3.41Å; L315-F318 PolarHBondContact O-N 2.91Å; E316-F318 VanDerWaalsContact C-N 3.33Å; E316-F318 PolarHBondContact O-N 3.06Å; F318-Q320 PolarHBondContact O-N 3.27Å
319S88.3Confident85.1Confident78 Ų7883.2 Ų83.255%0.54543%0.432SS..G310 helixtrans-66.6-28.6172.8-1720000112.2R122 L315 E316 K317R122-S319 VanDerWaalsContact NH1-C 3.31Å; R122-S319 PolarHBondContact NH1-O 3.4Å; L315-S319 PolarHBondContact O-N 3.31Å; E316-S319 VanDerWaalsContact O-CB 3.32Å; E316-S319 WeakPolarHBondContact O-CB 3.44Å; E316-S319 PolarHBondContact O-N 3.35Å; K317-S319 VanDerWaalsContact C-N 3.28Å; K317-S319 PolarHBondContact O-N 3.23Å
320Q90.2Very high85.7Confident152 Ų15283.1 Ų83.171%0.7143%0.428SS*.SBendtrans-74.3142.8175.9-64-177.1-1.700111.7R122 F318R122-Q320 WeakPolarHBondContact CD-O 3.26Å; R122-Q320 PolarHBondContact NH1-O 2.92Å; R122-Q320 VanDerWaalsContact NH1-O 3.16Å; F318-Q320 PolarHBondContact O-N 3.27Å
321P92.4Very high86.5Confident88 Ų8883.7 Ų83.757%0.57143%0.431SS*.PPolyproline II helixtrans-69.6151.2177.229.9-34.7000112.4E130E130-P321 HydrophobicContact CG-CB 4.04Å; E130-P321 WeakPolarHBondContact OE2-CA 3.37Å
322N93Very high87.4Confident32 Ų3277.7 Ų77.717%0.17140%0.399CS..PPolyproline II helixtrans-74.9172.9174.3-73.4-2.3000111.4Y125 F128 E130 I133 S324Y125-N322 PolarHBondContact O-ND2 2.9Å; F128-N322 VanDerWaalsContact O-CB 3.26Å; F128-N322 WeakPolarHBondContact O-CB 3.24Å; F128-N322 PolarHBondContact O-ND2 3.43Å; E130-N322 HydrophobicContact CB-CB 4.44Å; E130-N322 PolarHBondContact OE2-N 3.4Å; I133-N322 HydrophobicContact CD1-CB 4.48Å; I133-N322 VanDerWaalsContact CD1-ND2 3.29Å; I133-N322 WeakPolarHBondContact CD1-ND2 3.13Å; N322-S324 PolarHBondContact O-N 3.48Å
323I93.5Very high88.7Confident91 Ų9174.3 Ų74.347%0.46738%0.384SS..PPolyproline II helixtrans-58.8133.9174.4-59.197.3000109.6P129 E130 Y327 Y328P129-I323 WeakPolarHBondContact CA-O 3.32Å; E130-I323 PolarHBondContact N-O 3.42Å; E130-I323 VanDerWaalsContact N-O 3.09Å; I323-Y327 HydrophobicContact CG2-CD1 3.5Å; I323-Y327 HydrophobicContact CG2-CE1 4.29Å; I323-Y327 HydrophobicContact CG2-CG 3.92Å; I323-Y328 HydrophobicContact CG2-CE2 3.83Å
324S93.7Very high89.7Confident47 Ų4776 Ų7633%0.32939%0.393SS..PPolyproline II helixtrans-79.6159.7177.860.40000112.1N322 N326 Y327N322-S324 PolarHBondContact O-N 3.48Å; S324-N326 VanDerWaalsContact C-N 3.3Å; S324-Y327 WeakPolarHBondContact O-CB 3.5Å; S324-Y327 PolarHBondContact O-N 2.95Å
325L92.3Very high90Very high12 Ų1276.1 Ų76.16%0.06339%0.391CS..Hα-helixtrans-69-34175.6-67.6176.5000111.4P129 E131 L230 Y327 Y328 L329P129-L325 HydrophobicContact CB-CD2 3.51Å; P129-L325 HydrophobicContact CB-CG 3.75Å; P129-L325 HydrophobicContact CG-CD2 3.43Å; P129-L325 VanDerWaalsContact CG-CD2 3.43Å; P129-L325 HydrophobicContact CG-CG 4.24Å; E131-L325 HydrophobicContact CB-CD1 4.15Å; E131-L325 HydrophobicContact CB-CG 4.36Å; E131-L325 WeakPolarHBondContact OE1-CB 3.45Å; E131-L325 PolarHBondContact OE1-N 2.64Å; E131-L325 VanDerWaalsContact OE1-N 3.11Å; E131-L325 WeakPolarHBondContact OE2-CD1 3.32Å; L230-L325 HydrophobicContact CD1-CD2 4.03Å; L230-L325 HydrophobicContact CD2-CD2 4.12Å; L325-Y327 PolarHBondContact O-N 3.31Å; L325-Y328 PolarHBondContact O-N 3.18Å; L325-L329 PolarHBondContact O-N 3.38Å
326N93Very high90.1Very high92 Ų9276 Ų7649%0.49240%0.397SS..Hα-helixtrans-55-35.3177-71.6-27000113S324 Y328 L329 E330S324-N326 VanDerWaalsContact C-N 3.3Å; N326-Y328 VanDerWaalsContact C-N 3.34Å; N326-Y328 PolarHBondContact O-N 3.36Å; N326-L329 PolarHBondContact O-N 3.14Å; N326-E330 WeakPolarHBondContact O-CG 3.21Å; N326-E330 PolarHBondContact O-N 2.99Å
327Y94.3Very high90.1Very high110 Ų11074.3 Ų74.343%0.43139%0.387SS..Hα-helixtrans-56.4-46.7175.1172.8-102.2000112.1I323 S324 L325 E330 L331I323-Y327 HydrophobicContact CG2-CD1 3.5Å; I323-Y327 HydrophobicContact CG2-CE1 4.29Å; I323-Y327 HydrophobicContact CG2-CG 3.92Å; S324-Y327 WeakPolarHBondContact O-CB 3.5Å; S324-Y327 PolarHBondContact O-N 2.95Å; L325-Y327 PolarHBondContact O-N 3.31Å; Y327-E330 PolarHBondContact O-N 3.47Å; Y327-L331 HydrophobicContact CD1-CD1 4.31Å; Y327-L331 HydrophobicContact CE1-CD1 3.67Å; Y327-L331 HydrophobicContact CE1-CG 4.43Å; Y327-L331 WeakPolarHBondContact O-CG 3.43Å; Y327-L331 PolarHBondContact O-N 2.93Å; Y327-L331 VanDerWaalsContact O-N 3.17Å
328Y94Very high89.8Confident22 Ų2274.3 Ų74.39%0.08639%0.393CS..Hα-helixtrans-67.7-39178.4-60.7-70.1000111.9G233 I234 F295 I323 L325 N326 E330 L331 A332G233-Y328 VanDerWaalsContact CA-O 3.25Å; G233-Y328 WeakPolarHBondContact CA-O 3.48Å; I234-Y328 HydrophobicContact CB-CD1 4.37Å; I234-Y328 HydrophobicContact CG1-CD1 3.75Å; I234-Y328 HydrophobicContact CG1-CD2 4.24Å; I234-Y328 HydrophobicContact CG1-CE1 4.16Å; I234-Y328 HydrophobicContact CG1-CG 3.79Å; F295-Y328 HydrophobicContact CZ-CE2 4.02Å; I323-Y328 HydrophobicContact CG2-CE2 3.83Å; L325-Y328 PolarHBondContact O-N 3.18Å; N326-Y328 VanDerWaalsContact C-N 3.34Å; N326-Y328 PolarHBondContact O-N 3.36Å; Y328-E330 VanDerWaalsContact C-N 3.31Å; Y328-E330 PolarHBondContact O-N 2.81Å; Y328-L331 PolarHBondContact O-N 3.11Å; Y328-A332 PolarHBondContact O-N 3.28Å; Y328-A332 VanDerWaalsContact O-N 3.08Å
329L93.3Very high89.1Confident66 Ų6675.7 Ų75.735%0.34641%0.41SS..Hα-helixtrans-63.1-37.6176.6-66175.6000112.3P229 L230 L325 N326 A332 A333P229-L329 HydrophobicContact CB-CD2 4.27Å; P229-L329 HydrophobicContact CG-CD2 4.39Å; L230-L329 HydrophobicContact CB-CD2 4.14Å; L230-L329 HydrophobicContact CD1-CD2 4.35Å; L230-L329 HydrophobicContact CD1-CG 4.47Å; L325-L329 PolarHBondContact O-N 3.38Å; N326-L329 PolarHBondContact O-N 3.14Å; L329-A332 PolarHBondContact O-N 2.72Å; L329-A333 WeakPolarHBondContact O-CB 3.2Å; L329-A333 PolarHBondContact O-N 2.7Å
330E93.5Very high88Confident125 Ų12583 Ų8358%0.58443%0.432SS*.Hα-helixtrans-65.6-40.6175-74.4178.1-172.800112.2N326 Y327 Y328 A333 N334N326-E330 WeakPolarHBondContact O-CG 3.21Å; N326-E330 PolarHBondContact O-N 2.99Å; Y327-E330 PolarHBondContact O-N 3.47Å; Y328-E330 VanDerWaalsContact C-N 3.31Å; Y328-E330 PolarHBondContact O-N 2.81Å; E330-A333 PolarHBondContact O-N 3.43Å; E330-N334 WeakPolarHBondContact O-CB 3.29Å; E330-N334 PolarHBondContact O-N 2.77Å; E330-N334 PolarHBondContact O-ND2 2.99Å
331L92.1Very high87.9Confident37 Ų3779.6 Ų79.619%0.19442%0.418CS..Hα-helixtrans-59-49.4174.3-69.3-178.3000111.1Q236 Y327 Y328 A333 N334 H335Q236-L331 PolarHBondContact OE1-O 3.25Å; Y327-L331 HydrophobicContact CD1-CD1 4.31Å; Y327-L331 HydrophobicContact CE1-CD1 3.67Å; Y327-L331 HydrophobicContact CE1-CG 4.43Å; Y327-L331 WeakPolarHBondContact O-CG 3.43Å; Y327-L331 PolarHBondContact O-N 2.93Å; Y327-L331 VanDerWaalsContact O-N 3.17Å; Y328-L331 PolarHBondContact O-N 3.11Å; L331-A333 VanDerWaalsContact C-N 3.33Å; L331-A333 PolarHBondContact O-N 3.1Å; L331-N334 PolarHBondContact O-N 2.89Å; L331-N334 VanDerWaalsContact O-N 3.14Å; L331-H335 PolarHBondContact O-N 3.48Å
332A90.4Very high87.7Confident6 Ų679.2 Ų79.25%0.0541%0.41CS..Hα-helixtrans-59-43.3177.700000112.2P229 Q232 Y328 L329 N334 H335 A336P229-A332 WeakPolarHBondContact O-CB 3.31Å; Q232-A332 HydrophobicContact CB-CB 4.23Å; Y328-A332 PolarHBondContact O-N 3.28Å; Y328-A332 VanDerWaalsContact O-N 3.08Å; L329-A332 PolarHBondContact O-N 2.72Å; A332-N334 VanDerWaalsContact C-N 3.33Å; A332-N334 PolarHBondContact O-N 2.63Å; A332-H335 PolarHBondContact O-N 2.97Å; A332-A336 WeakPolarHBondContact O-CB 3.43Å; A332-A336 PolarHBondContact O-N 3.46Å
333A90.7Very high87.4Confident47 Ų4781.8 Ų81.839%0.38842%0.423SS..Hα-helixtrans-64.1-37.1177.500000112.5L329 E330 L331 K337L329-A333 WeakPolarHBondContact O-CB 3.2Å; L329-A333 PolarHBondContact O-N 2.7Å; E330-A333 PolarHBondContact O-N 3.43Å; L331-A333 VanDerWaalsContact C-N 3.33Å; L331-A333 PolarHBondContact O-N 3.1Å; A333-K337 WeakPolarHBondContact O-CG 3.29Å; A333-K337 PolarHBondContact O-N 3.03Å
334N89.9Confident87Confident78 Ų7881.2 Ų81.242%0.41742%0.421SS..Hα-helixtrans-69.4-40.7176.8-70.3-26.8000111.8E330 L331 A332 K337 L338E330-N334 WeakPolarHBondContact O-CB 3.29Å; E330-N334 PolarHBondContact O-N 2.77Å; E330-N334 PolarHBondContact O-ND2 2.99Å; L331-N334 PolarHBondContact O-N 2.89Å; L331-N334 VanDerWaalsContact O-N 3.14Å; A332-N334 VanDerWaalsContact C-N 3.33Å; A332-N334 PolarHBondContact O-N 2.63Å; N334-K337 WeakPolarHBondContact O-CB 3.4Å; N334-K337 PolarHBondContact O-N 2.82Å; N334-L338 WeakPolarHBondContact O-CG 3.31Å; N334-L338 PolarHBondContact O-N 2.96Å; N334-L338 VanDerWaalsContact O-N 3.15Å
335H81.3Confident86.6Confident79 Ų7983.4 Ų83.437%0.36643%0.426SS..Hα-helixtrans-61.8-45.4173.6-172.6-93000112L331 A332 K337 L338 C339L331-H335 PolarHBondContact O-N 3.48Å; A332-H335 PolarHBondContact O-N 2.97Å; H335-K337 PolarHBondContact O-N 2.85Å; H335-L338 PolarHBondContact O-N 2.77Å; H335-C339 PolarHBondContact CE1-SG 2.69Å; H335-C339 PolarHBondContact O-N 2.81Å; H335-C339 VanDerWaalsContact O-N 3.09Å
336A81.8Confident86.2Confident47 Ų4788.1 Ų88.139%0.38845%0.451SS..Hα-helixtrans-61.3-25.317700000113.4A332 K340A332-A336 WeakPolarHBondContact O-CB 3.43Å; A332-A336 PolarHBondContact O-N 3.46Å; A336-K340 WeakPolarHBondContact O-CG 3.23Å
337K83.3Confident85.7Confident144 Ų14487.9 Ų87.963%0.62645%0.448SS*.Hα-helixtrans-78.1-33.9172-71.2170.5-173.51690112.9A333 N334 H335A333-K337 WeakPolarHBondContact O-CG 3.29Å; A333-K337 PolarHBondContact O-N 3.03Å; N334-K337 WeakPolarHBondContact O-CB 3.4Å; N334-K337 PolarHBondContact O-N 2.82Å; H335-K337 PolarHBondContact O-N 2.85Å
338L79.6Confident85.1Confident145 Ų14586.2 Ų86.276%0.75945%0.449SS*.Hα-helixtrans-75.3-28179.6-69.5172.9000113N334 H335N334-L338 WeakPolarHBondContact O-CG 3.31Å; N334-L338 PolarHBondContact O-N 2.96Å; N334-L338 VanDerWaalsContact O-N 3.15Å; H335-L338 PolarHBondContact O-N 2.77Å
339C71Confident84.3Confident92 Ų9291.5 Ų91.562%0.62248%0.479SS*.  trans-82.9-8.5176.9-63.20000114.4H335H335-C339 PolarHBondContact CE1-SG 2.69Å; H335-C339 PolarHBondContact O-N 2.81Å; H335-C339 VanDerWaalsContact O-N 3.09Å
340K65Low83.5Confident232 Ų23293.8 Ų93.8100%1.00949%0.491SS*.  trans-96.40174.1-74.2-179.1-178.9-177.90109.9A336A336-K340 WeakPolarHBondContact O-CG 3.23Å

Retrieved 340 of 340 residues in 96.8 ms (Link to these results)

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