A0A077Z7U9_TRITR Loading...

Tubulin polyglutamylase TTLL4

AlphaFold DB , UniProt , Accession A0A077Z7U9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 518 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
1M31.2Very low37.3Very low242 Ų242151 Ų151100%1.19282%0.821SS**  054.50-75.7-159.6-75.600110.9
2F26.3Very low39.6Very low211 Ų211149.1 Ų149.193%0.92580%0.802SS**  trans-122.155.6-179.4-103.8-82.8000108.8
3E26Very low41.7Very low182 Ų182141.5 Ų141.585%0.8577%0.766SS**  trans-170.292.8177.2-112.5172.2-155.100107.5
4L28.8Very low44.3Very low158 Ų158137.9 Ų137.983%0.82775%0.746SS**  trans170.555.6159-94.5148.9000110V6L4-V6 HydrophobicContact CD2-CG2 4.26Å
5F32Very low46.4Very low213 Ų213132.9 Ų132.993%0.93473%0.726SS**  trans-10588.1142.9-93-87.1000105.1A7F5-A7 PolarHBondContact O-N 2.75Å
6V31.9Very low48Very low116 Ų116130.4 Ų130.470%0.70371%0.711SS**  trans-62.6961581770000104.1L4 V8L4-V6 HydrophobicContact CD2-CG2 4.26Å; V6-V8 VanDerWaalsContact C-N 3.3Å; V6-V8 PolarHBondContact O-N 3.3Å
7A37.8Very low49.5Very low85 Ų85126.5 Ų126.570%0.70269%0.689SS**  trans-57.8103.9168.900000105.2F5 S9F5-A7 PolarHBondContact O-N 2.75Å; A7-S9 VanDerWaalsContact C-N 3.31Å; A7-S9 PolarHBondContact O-N 3.12Å
8V38.8Very low50.8Low122 Ų122123.6 Ų123.674%0.73967%0.666SS**  trans-54.1107.9167.9175.90000104.5V6 V10V6-V8 VanDerWaalsContact C-N 3.3Å; V6-V8 PolarHBondContact O-N 3.3Å; V8-V10 VanDerWaalsContact C-N 3.31Å; V8-V10 PolarHBondContact O-N 3.49Å
9S45.4Very low52.1Low104 Ų104125.5 Ų125.573%0.72766%0.663SS**  trans-61.6100.5176.8175.90000106.1A7 P11A7-S9 VanDerWaalsContact C-N 3.31Å; A7-S9 PolarHBondContact O-N 3.12Å; S9-P11 VanDerWaalsContact O-CD 3.24Å; S9-P11 WeakPolarHBondContact O-CD 3.41Å
10V55.2Low53.1Low120 Ų120124 Ų12473%0.72765%0.65SS**  trans-70.3113.1173.5-178.80000105V8 E12V8-V10 VanDerWaalsContact C-N 3.31Å; V8-V10 PolarHBondContact O-N 3.49Å; V10-E12 PolarHBondContact O-N 3.4Å
11P56.6Low54.2Low108 Ų108120.3 Ų120.370%0.70163%0.631SS**PPolyproline II helixtrans-58.1136-177.421.7-30.4000109.3S9S9-P11 VanDerWaalsContact O-CD 3.24Å; S9-P11 WeakPolarHBondContact O-CD 3.41Å
12E65.7Low56.6Low128 Ų128110.2 Ų110.260%0.59858%0.582SS**PPolyproline II helixtrans-58138.8178.7-70.3-169.518000110.1V10 R18V10-E12 PolarHBondContact O-N 3.4Å; E12-R18 IonicContact OE2-CZ 3.08Å; E12-R18 IonicContact OE2-NH1 2.76Å; E12-R18 PolarHBondContact OE2-NH1 3.39Å
13P66.8Low59.3Low50 Ų50101 Ų10133%0.32554%0.541SS..PPolyproline II helixtrans-56.4148.3173-18.528.4000110.3I17 R18P13-I17 HydrophobicContact CB-CB 3.92Å; P13-I17 HydrophobicContact CB-CG2 3.62Å; P13-I17 HydrophobicContact CG-CG2 4.41Å; P13-R18 HydrophobicContact CB-CG 4.16Å; P13-R18 VanDerWaalsContact O-CD 3.32Å; P13-R18 WeakPolarHBondContact O-CD 3.48Å; P13-R18 WeakPolarHBondContact O-CG 3.49Å; P13-R18 PolarHBondContact O-NE 3.05Å; P13-R18 VanDerWaalsContact O-NE 3.14Å
14N77.2Confident61.9Low92 Ų9293.3 Ų93.349%0.49251%0.507SS..PPolyproline II helixtrans-57.2160.8175.868.838.8000111.7N16 I17 R18N14-N16 PolarHBondContact O-N 3.5Å; N14-N16 VanDerWaalsContact O-N 3.13Å; N14-N16 WeakPolarHBondContact OD1-CB 3.32Å; N14-N16 PolarHBondContact OD1-N 3.39Å; N14-I17 PolarHBondContact O-N 3.36Å; N14-I17 VanDerWaalsContact O-N 3.08Å; N14-I17 PolarHBondContact OD1-N 3.09Å; N14-R18 PolarHBondContact O-N 3.37Å
15S76Confident63.9Low63 Ų6389.4 Ų89.444%0.44149%0.493SS..Hα-helixtrans-57.4-29.5-17755.60000114R19S15-R19 WeakPolarHBondContact O-CB 3.49Å; S15-R19 VanDerWaalsContact O-CG 3.28Å; S15-R19 WeakPolarHBondContact O-CG 3.37Å; S15-R19 PolarHBondContact O-N 3.39Å; S15-R19 VanDerWaalsContact O-N 3.15Å; S15-R19 PolarHBondContact O-NE 2.91Å
16N72.6Confident65.8Low92 Ų9280.3 Ų80.349%0.49246%0.456SS..Hα-helixtrans-67.6-39.7177.4-69.6-24000112.2N14 R19N14-N16 PolarHBondContact O-N 3.5Å; N14-N16 VanDerWaalsContact O-N 3.13Å; N14-N16 WeakPolarHBondContact OD1-CB 3.32Å; N14-N16 PolarHBondContact OD1-N 3.39Å; N16-R19 PolarHBondContact OD1-NH2 3.25Å
17I72.5Confident67.4Low65 Ų6581.6 Ų81.633%0.33346%0.464SS..Hα-helixtrans-73.2-44.5176.3-69.2168.9000110.6P13 N14 R19 K20 L21 V347P13-I17 HydrophobicContact CB-CB 3.92Å; P13-I17 HydrophobicContact CB-CG2 3.62Å; P13-I17 HydrophobicContact CG-CG2 4.41Å; N14-I17 PolarHBondContact O-N 3.36Å; N14-I17 VanDerWaalsContact O-N 3.08Å; N14-I17 PolarHBondContact OD1-N 3.09Å; I17-R19 VanDerWaalsContact C-N 3.33Å; I17-R19 PolarHBondContact O-N 3.46Å; I17-K20 PolarHBondContact O-N 3.4Å; I17-L21 HydrophobicContact CG2-CD1 3.74Å; I17-L21 HydrophobicContact CG2-CG 4.26Å; I17-L21 PolarHBondContact O-N 3.21Å; I17-V347 HydrophobicContact CG2-CG2 3.92Å
18R74Confident68.7Low73 Ų7381.7 Ų81.728%0.27545%0.452SS..Hα-helixtrans-56.6-45.3-179.9-72.2-173.9-65.4176.18.3112.2E12 P13 N14 K20 L21E12-R18 IonicContact OE2-CZ 3.08Å; E12-R18 IonicContact OE2-NH1 2.76Å; E12-R18 PolarHBondContact OE2-NH1 3.39Å; P13-R18 HydrophobicContact CB-CG 4.16Å; P13-R18 VanDerWaalsContact O-CD 3.32Å; P13-R18 WeakPolarHBondContact O-CD 3.48Å; P13-R18 WeakPolarHBondContact O-CG 3.49Å; P13-R18 PolarHBondContact O-NE 3.05Å; P13-R18 VanDerWaalsContact O-NE 3.14Å; N14-R18 PolarHBondContact O-N 3.37Å; R18-K20 PolarHBondContact O-N 3.01Å; R18-L21 PolarHBondContact O-N 2.74Å
19R74.9Confident69.9Low161 Ų16176.8 Ų76.861%0.60842%0.421SS*.THydrogen-bonded Turntrans-59.4-18.9175.4-73.2-173.5-61.3161.7-0.4114.8S15 N16 I17 L22S15-R19 WeakPolarHBondContact O-CB 3.49Å; S15-R19 VanDerWaalsContact O-CG 3.28Å; S15-R19 WeakPolarHBondContact O-CG 3.37Å; S15-R19 PolarHBondContact O-N 3.39Å; S15-R19 VanDerWaalsContact O-N 3.15Å; S15-R19 PolarHBondContact O-NE 2.91Å; N16-R19 PolarHBondContact OD1-NH2 3.25Å; I17-R19 VanDerWaalsContact C-N 3.33Å; I17-R19 PolarHBondContact O-N 3.46Å; R19-L22 WeakPolarHBondContact O-CD1 3.28Å; R19-L22 WeakPolarHBondContact O-CG 3.48Å
20K72.9Confident70.9Confident94 Ų9473 Ų7341%0.40939%0.394SS..THydrogen-bonded Turntrans-94.9-18.3175.1-65-174.2176.6-166.80112.7I17 R18 L22 V46 V347 D350I17-K20 PolarHBondContact O-N 3.4Å; R18-K20 PolarHBondContact O-N 3.01Å; K20-L22 PolarHBondContact O-N 3.42Å; K20-L22 VanDerWaalsContact O-N 3.14Å; K20-V46 WeakPolarHBondContact O-CG1 3.46Å; K20-V347 HydrophobicContact CB-CG1 3.82Å; K20-V347 HydrophobicContact CD-CG1 3.68Å; K20-V347 HydrophobicContact CG-CG1 4.4Å; K20-D350 IonicContact NZ-OD1 2.83Å
21L76.6Confident71.6Confident48 Ų4876.1 Ų76.125%0.25140%0.398SS..  trans-88.949-178.3-73173.8000112.3I17 R18 V46 V347I17-L21 HydrophobicContact CG2-CD1 3.74Å; I17-L21 HydrophobicContact CG2-CG 4.26Å; I17-L21 PolarHBondContact O-N 3.21Å; R18-L21 PolarHBondContact O-N 2.74Å; L21-V46 HydrophobicContact CD2-CG2 4.37Å; L21-V347 HydrophobicContact CD1-CG2 4.35Å; L21-V347 HydrophobicContact CD2-CG2 3.6Å; L21-V347 HydrophobicContact CG-CG2 3.86Å
22L80.7Confident72.1Confident30 Ų3072.2 Ų72.216%0.15737%0.371CS..PPolyproline II helixtrans-83.4129.2-177.5-61.7173.4000111.1R19 K20 E39 A41 P44 W45 V46R19-L22 WeakPolarHBondContact O-CD1 3.28Å; R19-L22 WeakPolarHBondContact O-CG 3.48Å; K20-L22 PolarHBondContact O-N 3.42Å; K20-L22 VanDerWaalsContact O-N 3.14Å; L22-E39 HydrophobicContact CD2-CB 3.74Å; L22-A41 HydrophobicContact CB-CB 3.91Å; L22-A41 HydrophobicContact CD1-CB 3.76Å; L22-A41 HydrophobicContact CD2-CB 4.22Å; L22-A41 HydrophobicContact CG-CB 4.17Å; L22-P44 WeakPolarHBondContact CB-O 3.37Å; L22-P44 WeakPolarHBondContact CD1-O 3.39Å; L22-W45 CarbonylContact O-C 3.18Å; L22-W45 VanDerWaalsContact O-CA 3.28Å; L22-W45 WeakPolarHBondContact O-CA 3.4Å; L22-W45 WeakPolarHBondContact O-CB 3.02Å; L22-V46 WeakPolarHBondContact O-CG2 3.26Å; L22-V46 PolarHBondContact O-N 3.02Å
23W83.1Confident72.2Confident18 Ų1866.1 Ų66.17%0.06834%0.342CS..EExtended strand (participates in β ladder)trans-96.2138.9173.2-75.773.9000111.4S25 F29 L37 E39 H40 A41 G47 W49 L340 V345W23-S25 PolarHBondContact O-N 3.08Å; W23-F29 HydrophobicContact CB-CZ 4.44Å; W23-F29 HydrophobicContact CE3-CE1 4.49Å; W23-F29 HydrophobicContact CE3-CZ 4.19Å; W23-L37 HydrophobicContact CB-CD1 4.3Å; W23-L37 HydrophobicContact CD2-CD1 3.47Å; W23-L37 VanDerWaalsContact CD2-CD1 3.47Å; W23-L37 HydrophobicContact CD2-CD2 4.13Å; W23-L37 HydrophobicContact CD2-CG 4.39Å; W23-L37 VanDerWaalsContact CE2-CD2 3.49Å; W23-L37 HydrophobicContact CE3-CD1 3.79Å; W23-L37 HydrophobicContact CG-CD1 3.7Å; W23-L37 HydrophobicContact CG-CD2 4.41Å; W23-L37 HydrophobicContact CG-CG 4.49Å; W23-L37 HydrophobicContact CZ2-CD1 4.29Å; W23-L37 HydrophobicContact CZ2-CD2 3.75Å; W23-L37 HydrophobicContact CZ3-CD1 4.33Å; W23-E39 PolarHBondContact N-O 3.26Å; W23-H40 CarbonylContact O-C 3.5Å; W23-H40 VanDerWaalsContact O-CA 3.24Å; W23-H40 WeakPolarHBondContact O-CA 3.46Å; W23-A41 PolarHBondContact O-N 3.07Å; W23-G47 CarbonylContact C-O 3.49Å; W23-G47 WeakPolarHBondContact CA-O 3.45Å; W23-W49 HydrophobicContact CZ3-CB 4.3Å; W23-L340 HydrophobicContact CH2-CD2 3.53Å; W23-L340 HydrophobicContact CZ2-CD2 4.17Å; W23-L340 HydrophobicContact CZ3-CD2 4.26Å; W23-V345 HydrophobicContact CH2-CG2 3.83Å; W23-V345 HydrophobicContact CZ2-CB 4.38Å; W23-V345 HydrophobicContact CZ2-CG2 3.74Å
24C80.8Confident72.5Confident19 Ų1969.6 Ų69.613%0.12835%0.352CS..EExtended strand (participates in β ladder)trans-58.6126.5175.4-170.80000109.8S26 F29 A41 W45 G47 Y48C24-S26 PolarHBondContact O-N 3.15Å; C24-F29 WeakPolarHBondContact O-CE2 3.28Å; C24-A41 WeakPolarHBondContact CA-O 3.43Å; C24-W45 HydrophobicContact CB-CB 4.16Å; C24-W45 HydrophobicContact CB-CD2 3.65Å; C24-W45 HydrophobicContact CB-CE3 4.15Å; C24-W45 HydrophobicContact CB-CG 3.64Å; C24-G47 PolarHBondContact N-O 2.83Å; C24-Y48 HydrophobicContact CB-CD2 3.63Å; C24-Y48 HydrophobicContact CB-CE2 4.49Å; C24-Y48 HydrophobicContact CB-CG 4.45Å
25S71Confident72.1Confident76 Ų7674.2 Ų74.253%0.53137%0.368SS..PPolyproline II helixtrans-68.4127.7177.8-169.70000111.2W23 A41W23-S25 PolarHBondContact O-N 3.08Å; S25-A41 PolarHBondContact N-O 3.11Å; S25-A41 VanDerWaalsContact N-O 3.14Å
26S70.7Confident71.9Confident23 Ų2374.2 Ų74.216%0.16136%0.362CS..  trans-138.4141.1177164.80000111C24 L28 F29C24-S26 PolarHBondContact O-N 3.15Å; S26-L28 PolarHBondContact O-N 3.3Å; S26-L28 PolarHBondContact OG-N 2.89Å; S26-F29 WeakPolarHBondContact O-CD2 3.31Å; S26-F29 PolarHBondContact O-N 3.14Å
27T65.4Low71.8Confident142 Ų14271 Ų7187%0.87134%0.344SS*.THydrogen-bonded Turntrans-68.8-15.7176.752.40000112.8
28L65.9Low71.5Confident88 Ų8873 Ų7346%0.46136%0.355SS..THydrogen-bonded Turntrans-94.16-178.4-72.8172.1000114.1S26 P30 Q51S26-L28 PolarHBondContact O-N 3.3Å; S26-L28 PolarHBondContact OG-N 2.89Å; L28-P30 WeakPolarHBondContact O-CD 3.45Å; L28-Q51 HydrophobicContact CD1-CB 4Å; L28-Q51 HydrophobicContact CD1-CG 3.39Å
29F64.6Low71.2Confident18 Ų1872.4 Ų72.48%0.07936%0.355CS..  trans-55.1112.6174.3-96.6-90.3000109.7W23 C24 S26 K31 V33 K34 L37 W49W23-F29 HydrophobicContact CB-CZ 4.44Å; W23-F29 HydrophobicContact CE3-CE1 4.49Å; W23-F29 HydrophobicContact CE3-CZ 4.19Å; C24-F29 WeakPolarHBondContact O-CE2 3.28Å; S26-F29 WeakPolarHBondContact O-CD2 3.31Å; S26-F29 PolarHBondContact O-N 3.14Å; F29-K31 PolarHBondContact O-N 3.09Å; F29-V33 HydrophobicContact CD1-CB 3.92Å; F29-V33 HydrophobicContact CD1-CG1 3.47Å; F29-V33 VanDerWaalsContact CD1-CG1 3.47Å; F29-V33 HydrophobicContact CE1-CB 4.4Å; F29-V33 HydrophobicContact CE1-CG1 3.45Å; F29-V33 VanDerWaalsContact CE1-CG1 3.45Å; F29-K34 HydrophobicContact CB-CB 4.45Å; F29-K34 HydrophobicContact CB-CG 4.48Å; F29-L37 HydrophobicContact CD1-CD1 4.34Å; F29-L37 HydrophobicContact CE1-CD1 3.5Å; F29-L37 VanDerWaalsContact CE1-CD1 3.5Å; F29-L37 HydrophobicContact CZ-CD1 4.28Å; F29-W49 HydrophobicContact CE1-CB 3.99Å; F29-W49 WeakPolarHBondContact CE2-O 3.31Å; F29-W49 HydrophobicContact CZ-CB 3.91Å
30P65.1Low70.9Confident26 Ų2668 Ų6817%0.16934%0.341CS..  trans-56.2137.9170.9-21.734.1000108.3L28 I32 V33 K34 V321L28-P30 WeakPolarHBondContact O-CD 3.45Å; P30-I32 HydrophobicContact CB-CG2 3.94Å; P30-I32 PolarHBondContact O-N 3.34Å; P30-V33 HydrophobicContact CB-CG2 4.02Å; P30-V33 HydrophobicContact CG-CG2 3.85Å; P30-V33 PolarHBondContact O-N 3.38Å; P30-K34 PolarHBondContact O-N 3.46Å; P30-V321 HydrophobicContact CB-CG2 3.67Å; P30-V321 HydrophobicContact CG-CG2 3.36Å
31K70.1Confident70.5Confident185 Ų18564.6 Ų64.680%0.80433%0.33SS*.Hα-helixtrans-48.5-33.3-179.8-72.1-173.2177.2-1750112.4F29 K34 K35F29-K31 PolarHBondContact O-N 3.09Å; K31-K34 PolarHBondContact O-N 3.47Å; K31-K35 WeakPolarHBondContact O-CG 3.31Å; K31-K35 PolarHBondContact O-N 3.4Å
32I66.8Low70Confident26 Ų2667.9 Ų67.913%0.13335%0.353CS..Hα-helixtrans-67.9-44.2178.7-160.3147.6000113.2P30 K34 K35 M36 T333 V336P30-I32 HydrophobicContact CB-CG2 3.94Å; P30-I32 PolarHBondContact O-N 3.34Å; I32-K34 VanDerWaalsContact C-N 3.32Å; I32-K34 PolarHBondContact O-N 2.59Å; I32-K35 PolarHBondContact O-N 3.18Å; I32-M36 HydrophobicContact CG1-CE 3.96Å; I32-M36 WeakPolarHBondContact O-CG 3.32Å; I32-M36 PolarHBondContact O-N 2.81Å; I32-T333 VanDerWaalsContact CD1-CA 3.41Å; I32-T333 HydrophobicContact CD1-CG2 3.8Å; I32-T333 VanDerWaalsContact CD1-OG1 3.23Å; I32-T333 WeakPolarHBondContact CD1-OG1 3.26Å; I32-T333 HydrophobicContact CG1-CG2 4.43Å; I32-V336 HydrophobicContact CG2-CB 4.37Å; I32-V336 HydrophobicContact CG2-CG1 4.24Å; I32-V336 HydrophobicContact CG2-CG2 4.07Å
33V69Low69.3Low0 Ų073.9 Ų73.90%038%0.38CS..Hα-helixtrans-64.4-42.2174.2-177.40000109.6F29 P30 K35 M36 L37 V336 L340F29-V33 HydrophobicContact CD1-CB 3.92Å; F29-V33 HydrophobicContact CD1-CG1 3.47Å; F29-V33 VanDerWaalsContact CD1-CG1 3.47Å; F29-V33 HydrophobicContact CE1-CB 4.4Å; F29-V33 HydrophobicContact CE1-CG1 3.45Å; F29-V33 VanDerWaalsContact CE1-CG1 3.45Å; P30-V33 HydrophobicContact CB-CG2 4.02Å; P30-V33 HydrophobicContact CG-CG2 3.85Å; P30-V33 PolarHBondContact O-N 3.38Å; V33-K35 VanDerWaalsContact C-N 3.26Å; V33-K35 PolarHBondContact O-N 3.1Å; V33-M36 PolarHBondContact O-N 2.81Å; V33-L37 HydrophobicContact CG1-CD1 3.59Å; V33-L37 HydrophobicContact CG1-CG 4.22Å; V33-L37 WeakPolarHBondContact O-CG 3.25Å; V33-L37 PolarHBondContact O-N 2.94Å; V33-V336 HydrophobicContact CB-CG1 4.49Å; V33-V336 HydrophobicContact CG2-CG1 3.48Å; V33-V336 VanDerWaalsContact CG2-CG1 3.48Å; V33-L340 HydrophobicContact CG1-CD1 4.39Å
34K71.4Confident68.8Low123 Ų12377.5 Ų77.554%0.53541%0.406SS..Hα-helixtrans-63.8-30.3-180-145.1178.4-174.5-179.50113.1F29 P30 K31 I32F29-K34 HydrophobicContact CB-CB 4.45Å; F29-K34 HydrophobicContact CB-CG 4.48Å; P30-K34 PolarHBondContact O-N 3.46Å; K31-K34 PolarHBondContact O-N 3.47Å; I32-K34 VanDerWaalsContact C-N 3.32Å; I32-K34 PolarHBondContact O-N 2.59Å
35K69.9Low69.1Low188 Ų18877.4 Ų77.482%0.81740%0.403SS*.Hα-helixtrans-74.8-24.5172.9-77.5-176.3176.5-167.70113.3K31 I32 V33K31-K35 WeakPolarHBondContact O-CG 3.31Å; K31-K35 PolarHBondContact O-N 3.4Å; I32-K35 PolarHBondContact O-N 3.18Å; V33-K35 VanDerWaalsContact C-N 3.26Å; V33-K35 PolarHBondContact O-N 3.1Å
36M71.8Confident69.7Low63 Ų6374 Ų7431%0.3138%0.379SS..Hα-helixtrans-87.9-16.3-178.3-70.2172.4176.400113.2I32 V33 T333 V336 Q337 L340I32-M36 HydrophobicContact CG1-CE 3.96Å; I32-M36 WeakPolarHBondContact O-CG 3.32Å; I32-M36 PolarHBondContact O-N 2.81Å; V33-M36 PolarHBondContact O-N 2.81Å; M36-T333 HydrophobicContact CE-CG2 4.23Å; M36-T333 WeakPolarHBondContact CE-O 3.44Å; M36-V336 HydrophobicContact SD-CG1 3.91Å; M36-Q337 HydrophobicContact CE-CB 3.75Å; M36-Q337 HydrophobicContact SD-CB 4.1Å; M36-L340 HydrophobicContact CB-CD1 4.37Å; M36-L340 HydrophobicContact SD-CD1 4.24Å
37L71.3Confident70.5Confident25 Ų2573 Ų7313%0.13137%0.372CS..  trans-112.4136.4-173.9-60.6177.4000110.9W23 F29 V33 L340W23-L37 HydrophobicContact CB-CD1 4.3Å; W23-L37 HydrophobicContact CD2-CD1 3.47Å; W23-L37 VanDerWaalsContact CD2-CD1 3.47Å; W23-L37 HydrophobicContact CD2-CD2 4.13Å; W23-L37 HydrophobicContact CD2-CG 4.39Å; W23-L37 VanDerWaalsContact CE2-CD2 3.49Å; W23-L37 HydrophobicContact CE3-CD1 3.79Å; W23-L37 HydrophobicContact CG-CD1 3.7Å; W23-L37 HydrophobicContact CG-CD2 4.41Å; W23-L37 HydrophobicContact CG-CG 4.49Å; W23-L37 HydrophobicContact CZ2-CD1 4.29Å; W23-L37 HydrophobicContact CZ2-CD2 3.75Å; W23-L37 HydrophobicContact CZ3-CD1 4.33Å; F29-L37 HydrophobicContact CD1-CD1 4.34Å; F29-L37 HydrophobicContact CE1-CD1 3.5Å; F29-L37 VanDerWaalsContact CE1-CD1 3.5Å; F29-L37 HydrophobicContact CZ-CD1 4.28Å; V33-L37 HydrophobicContact CG1-CD1 3.59Å; V33-L37 HydrophobicContact CG1-CG 4.22Å; V33-L37 WeakPolarHBondContact O-CG 3.25Å; V33-L37 PolarHBondContact O-N 2.94Å; L37-L340 HydrophobicContact CD2-CD1 4.33Å
38I64.4Low71.6Confident107 Ų10767.5 Ų67.555%0.54934%0.335SS..  trans-84.4-44.2-169.7-50.6176.7000111.6
39E67.7Low72.5Confident61 Ų6164.4 Ų64.429%0.28532%0.317SS..  trans-136.1140.9-167.9-60.4-173.4-174.700113.3L22 W23L22-E39 HydrophobicContact CD2-CB 3.74Å; W23-E39 PolarHBondContact N-O 3.26Å
40H69.4Low73.6Confident68 Ų6864 Ų6432%0.31532%0.318SS..EExtended strand (participates in β ladder)trans-123.7140.2179.6-61.3-67.5000111.3W23W23-H40 CarbonylContact O-C 3.5Å; W23-H40 VanDerWaalsContact O-CA 3.24Å; W23-H40 WeakPolarHBondContact O-CA 3.46Å
41A64.9Low74.4Confident22 Ų2268.7 Ų68.718%0.18234%0.338CS..EExtended strand (participates in β ladder)trans-142159.8172.800000111.4L22 W23 C24 S25L22-A41 HydrophobicContact CB-CB 3.91Å; L22-A41 HydrophobicContact CD1-CB 3.76Å; L22-A41 HydrophobicContact CD2-CB 4.22Å; L22-A41 HydrophobicContact CG-CB 4.17Å; W23-A41 PolarHBondContact O-N 3.07Å; C24-A41 WeakPolarHBondContact CA-O 3.43Å; S25-A41 PolarHBondContact N-O 3.11Å; S25-A41 VanDerWaalsContact N-O 3.14Å
42T65.6Low75.2Confident118 Ų11866.3 Ų66.372%0.72432%0.324SS*.SBendtrans-78.4-48.1172.5390000111
43E67Low76.1Confident155 Ų15566.7 Ų66.772%0.72433%0.325SS*.SBendtrans-158.4151166.9-67-163.3166.100110
44P72.8Confident77Confident95 Ų9573.9 Ų73.962%0.61736%0.356SS*.SBendcis-75.3145.6-11.432-33000111.3L22L22-P44 WeakPolarHBondContact CB-O 3.37Å; L22-P44 WeakPolarHBondContact CD1-O 3.39Å
45W85.9Confident77.8Confident16 Ų1670 Ų706%0.06134%0.343CS..  trans-130.9153.8176.356.7-92.6000110.3L22 C24 L61 Q65 V67L22-W45 CarbonylContact O-C 3.18Å; L22-W45 VanDerWaalsContact O-CA 3.28Å; L22-W45 WeakPolarHBondContact O-CA 3.4Å; L22-W45 WeakPolarHBondContact O-CB 3.02Å; C24-W45 HydrophobicContact CB-CB 4.16Å; C24-W45 HydrophobicContact CB-CD2 3.65Å; C24-W45 HydrophobicContact CB-CE3 4.15Å; C24-W45 HydrophobicContact CB-CG 3.64Å; W45-L61 HydrophobicContact CH2-CD2 3.68Å; W45-L61 HydrophobicContact CZ2-CD2 4.04Å; W45-Q65 HydrophobicContact CD2-CG 4.49Å; W45-Q65 HydrophobicContact CE3-CB 4.32Å; W45-Q65 HydrophobicContact CE3-CG 4.07Å; W45-Q65 HydrophobicContact CH2-CB 3.94Å; W45-Q65 HydrophobicContact CH2-CG 4.13Å; W45-Q65 HydrophobicContact CZ3-CB 3.68Å; W45-Q65 HydrophobicContact CZ3-CG 3.88Å; W45-Q65 WeakPolarHBondContact O-CG 3.47Å; W45-Q65 PolarHBondContact O-NE2 2.8Å; W45-V67 HydrophobicContact CH2-CG1 3.87Å; W45-V67 HydrophobicContact CZ3-CG1 4.24Å
46V83.7Confident78.8Confident6 Ų664.5 Ų64.54%0.03633%0.328CS..SBendtrans-108.3-29.3-179.8-63.20000112.7K20 L21 L22 F64 K66 V345 P348K20-V46 WeakPolarHBondContact O-CG1 3.46Å; L21-V46 HydrophobicContact CD2-CG2 4.37Å; L22-V46 WeakPolarHBondContact O-CG2 3.26Å; L22-V46 PolarHBondContact O-N 3.02Å; V46-F64 HydrophobicContact CG1-CD2 4.23Å; V46-K66 PolarHBondContact O-N 2.85Å; V46-V345 HydrophobicContact CB-CG1 4.09Å; V46-V345 HydrophobicContact CG2-CG1 3.67Å; V46-P348 HydrophobicContact CG1-CG 3.83Å
47G87.3Confident79.6Confident0 Ų063.6 Ų63.60%033%0.325CS..EExtended strand (participates in β ladder)trans-122.6141.3179.100000112.7W23 C24 K66W23-G47 CarbonylContact C-O 3.49Å; W23-G47 WeakPolarHBondContact CA-O 3.45Å; C24-G47 PolarHBondContact N-O 2.83Å; G47-K66 CarbonylContact C-O 3.53Å
48Y88.2Confident80.5Confident27 Ų2762.5 Ų62.511%0.10632%0.319CS..EExtended strand (participates in β ladder)trans-127.7131.1173177.1-89000110.6C24 G50 Q51 H53 K66 V67 N68C24-Y48 HydrophobicContact CB-CD2 3.63Å; C24-Y48 HydrophobicContact CB-CE2 4.49Å; C24-Y48 HydrophobicContact CB-CG 4.45Å; Y48-G50 VanDerWaalsContact CE1-N 3.31Å; Y48-Q51 WeakPolarHBondContact CE1-O 3.31Å; Y48-Q51 PolarHBondContact OH-N 3.14Å; Y48-Q51 PolarHBondContact OH-O 2.89Å; Y48-H53 AromaticContact CD1-NE2 3.52Å; Y48-H53 AromaticContact CD2-NE2 3.97Å; Y48-H53 AromaticContact CE1-CD2 3.7Å; Y48-H53 AromaticContact CE1-NE2 3.27Å; Y48-H53 VanDerWaalsContact CE1-NE2 3.27Å; Y48-H53 WeakPolarHBondContact CE1-NE2 3.25Å; Y48-H53 AromaticContact CE2-NE2 3.77Å; Y48-H53 AromaticContact CG-NE2 3.87Å; Y48-H53 AromaticContact CZ-CD2 3.99Å; Y48-H53 AromaticContact CZ-NE2 3.41Å; Y48-K66 PolarHBondContact N-O 2.87Å; Y48-V67 HydrophobicContact CD1-CB 4.35Å; Y48-V67 HydrophobicContact CD1-CG1 4.42Å; Y48-V67 HydrophobicContact CG-CG1 4.42Å; Y48-N68 WeakPolarHBondContact CD1-OD1 3.44Å; Y48-N68 PolarHBondContact O-N 2.94Å
49W86.5Confident81.7Confident23 Ų2362 Ų629%0.08732%0.32CS..  trans-129.9116.5165.4-172-71.9000109.5W23 F29 N68 Y295 V339 L340W23-W49 HydrophobicContact CZ3-CB 4.3Å; F29-W49 HydrophobicContact CE1-CB 3.99Å; F29-W49 WeakPolarHBondContact CE2-O 3.31Å; F29-W49 HydrophobicContact CZ-CB 3.91Å; W49-N68 HydrophobicContact CD2-CB 4.17Å; W49-N68 HydrophobicContact CE3-CB 3.88Å; W49-N68 HydrophobicContact CZ3-CB 4.35Å; W49-Y295 HydrophobicContact CE3-CE2 4.26Å; W49-Y295 AromaticContact CZ3-CE2 3.92Å; W49-Y295 HydrophobicContact CZ3-CE2 3.92Å; W49-V339 HydrophobicContact CH2-CG1 4.03Å; W49-V339 HydrophobicContact CZ3-CG1 3.73Å; W49-L340 HydrophobicContact CE3-CD2 4.24Å; W49-L340 HydrophobicContact CZ3-CD2 4.43Å
50G85.6Confident82.6Confident9 Ų966.3 Ų66.39%0.09334%0.338CS..SBendtrans179.9-142.8-177.500000115.7Y48 N68 H69Y48-G50 VanDerWaalsContact CE1-N 3.31Å; G50-N68 PolarHBondContact N-OD1 3.19Å; G50-N68 VanDerWaalsContact N-OD1 3.15Å; G50-H69 PolarHBondContact O-NE2 3.4Å
51Q83.6Confident83.4Confident125 Ų12563.9 Ų63.958%0.58433%0.327SS*.SBendtrans-71.4150.7-179.5-116.4167.175.400110.3L28 Y48 H53L28-Q51 HydrophobicContact CD1-CB 4Å; L28-Q51 HydrophobicContact CD1-CG 3.39Å; Y48-Q51 WeakPolarHBondContact CE1-O 3.31Å; Y48-Q51 PolarHBondContact OH-N 3.14Å; Y48-Q51 PolarHBondContact OH-O 2.89Å; Q51-H53 PolarHBondContact O-N 3.1Å
52R85.5Confident84.2Confident136 Ų13667.6 Ų67.651%0.51334%0.342SS..PPolyproline II helixtrans-62.3126.6174.9-173.4-171.763.9154.31.1110.3H69 N73R52-H69 HydrophobicContact CG-CB 4.5Å; R52-N73 VanDerWaalsContact CD-OD1 3.25Å; R52-N73 WeakPolarHBondContact CD-OD1 3.2Å
53H85.7Confident84.8Confident34 Ų3464.7 Ų64.716%0.15733%0.325CS..PPolyproline II helixtrans-65.7151172.3-70.9-132.1000110.6Y48 Q51 D57 F58Y48-H53 AromaticContact CD1-NE2 3.52Å; Y48-H53 AromaticContact CD2-NE2 3.97Å; Y48-H53 AromaticContact CE1-CD2 3.7Å; Y48-H53 AromaticContact CE1-NE2 3.27Å; Y48-H53 VanDerWaalsContact CE1-NE2 3.27Å; Y48-H53 WeakPolarHBondContact CE1-NE2 3.25Å; Y48-H53 AromaticContact CE2-NE2 3.77Å; Y48-H53 AromaticContact CG-NE2 3.87Å; Y48-H53 AromaticContact CZ-CD2 3.99Å; Y48-H53 AromaticContact CZ-NE2 3.41Å; Q51-H53 PolarHBondContact O-N 3.1Å; H53-D57 HydrophobicContact CB-CB 4.47Å; H53-F58 HydrophobicContact CB-CD2 4.11Å; H53-F58 HydrophobicContact CB-CE2 3.61Å; H53-F58 HydrophobicContact CB-CZ 4.05Å
54K89Confident85.2Confident150 Ų15060.4 Ų60.465%0.65230%0.304SS*.PPolyproline II helixtrans-65.6148.2164.7-60.3176.7179.5173.80107.9S56 D57 F58K54-S56 PolarHBondContact O-N 2.94Å; K54-S56 VanDerWaalsContact O-N 3.13Å; K54-D57 WeakPolarHBondContact CB-OD2 3.28Å; K54-D57 WeakPolarHBondContact O-CB 3.48Å; K54-D57 PolarHBondContact O-N 3.29Å; K54-F58 WeakPolarHBondContact O-CD2 3.45Å
55V88.8Confident85.8Confident42 Ų4256.6 Ų56.626%0.25528%0.278SS..G310 helixtrans-54.1-38-178.7-179.60000111.7D57 P71 F74 M287V55-D57 VanDerWaalsContact C-N 3.29Å; V55-D57 PolarHBondContact O-N 3.14Å; V55-P71 HydrophobicContact CG1-CB 4.09Å; V55-P71 WeakPolarHBondContact CG2-O 3.46Å; V55-F74 HydrophobicContact CG2-CE1 4.28Å; V55-M287 HydrophobicContact CG1-CE 3.79Å; V55-M287 HydrophobicContact CG1-CG 3.8Å; V55-M287 HydrophobicContact CG1-SD 4.05Å
56S89Confident86Confident73 Ų7357 Ų5751%0.5128%0.281SS..G310 helixtrans-68.2-22.3178.153.80000114.7K54 F58K54-S56 PolarHBondContact O-N 2.94Å; K54-S56 VanDerWaalsContact O-N 3.13Å; S56-F58 VanDerWaalsContact C-N 3.33Å
57D90.5Very high86.4Confident44 Ų4456.8 Ų56.824%0.23528%0.279CS..G310 helixtrans-81.8-14.9-176.4-65-36.7000112.3H53 K54 V55 V59 K60H53-D57 HydrophobicContact CB-CB 4.47Å; K54-D57 WeakPolarHBondContact CB-OD2 3.28Å; K54-D57 WeakPolarHBondContact O-CB 3.48Å; K54-D57 PolarHBondContact O-N 3.29Å; V55-D57 VanDerWaalsContact C-N 3.29Å; V55-D57 PolarHBondContact O-N 3.14Å; D57-V59 PolarHBondContact O-N 2.91Å; D57-K60 WeakPolarHBondContact O-CB 3.36Å; D57-K60 PolarHBondContact O-N 2.79Å; D57-K60 VanDerWaalsContact O-N 3.15Å; D57-K60 IonicContact OD1-NZ 3.99Å; D57-K60 PolarHBondContact OD1-NZ 2.8Å
58F90.3Very high86.7Confident1 Ų157.1 Ų57.10%0.00428%0.281CS..G310 helixtrans-63.2-29.2176.3-79.4-93000113.1H53 K54 S56 K60 L61 V67 H69 P71 M287 M288H53-F58 HydrophobicContact CB-CD2 4.11Å; H53-F58 HydrophobicContact CB-CE2 3.61Å; H53-F58 HydrophobicContact CB-CZ 4.05Å; K54-F58 WeakPolarHBondContact O-CD2 3.45Å; S56-F58 VanDerWaalsContact C-N 3.33Å; F58-K60 PolarHBondContact O-N 3.29Å; F58-L61 HydrophobicContact CD1-CD1 3.77Å; F58-L61 HydrophobicContact CE1-CD1 4.38Å; F58-L61 HydrophobicContact CG-CD1 4.41Å; F58-L61 WeakPolarHBondContact O-CB 3.47Å; F58-L61 PolarHBondContact O-N 2.81Å; F58-L61 VanDerWaalsContact O-N 3.16Å; F58-V67 HydrophobicContact CD1-CG2 4.49Å; F58-V67 HydrophobicContact CE1-CG2 3.83Å; F58-H69 WeakPolarHBondContact CE1-O 3.41Å; F58-H69 VanDerWaalsContact CZ-O 3.28Å; F58-H69 WeakPolarHBondContact CZ-O 3.33Å; F58-P71 HydrophobicContact CD1-CB 4.5Å; F58-P71 HydrophobicContact CD1-CG 4.4Å; F58-P71 HydrophobicContact CD2-CB 3.75Å; F58-P71 HydrophobicContact CD2-CG 4.48Å; F58-P71 HydrophobicContact CE1-CG 4.49Å; F58-P71 HydrophobicContact CE2-CB 3.79Å; F58-P71 HydrophobicContact CG-CB 4.11Å; F58-P71 HydrophobicContact CG-CG 4.39Å; F58-P71 HydrophobicContact CZ-CB 4.2Å; F58-M287 CarbonylContact C-O 3.32Å; F58-M287 HydrophobicContact CB-CB 4.1Å; F58-M287 WeakPolarHBondContact CB-O 3.48Å; F58-M288 HydrophobicContact CB-CG 4.06Å; F58-M288 HydrophobicContact CD1-CE 4.35Å; F58-M288 HydrophobicContact CD1-CG 3.91Å; F58-M288 HydrophobicContact CD1-SD 3.89Å; F58-M288 HydrophobicContact CE1-SD 4.32Å; F58-M288 HydrophobicContact CG-CG 4.34Å
59V88.2Confident87Confident96 Ų9655.9 Ų55.958%0.58228%0.276SS*.G310 helixtrans-66.3-22.5178.3-179.60000111.7D57 L61 M287D57-V59 PolarHBondContact O-N 2.91Å; V59-L61 VanDerWaalsContact C-N 3.31Å; V59-M287 WeakPolarHBondContact CA-O 3.38Å; V59-M287 WeakPolarHBondContact CG2-O 3.29Å; V59-M287 HydrophobicContact CG2-SD 4.17Å; V59-M287 PolarHBondContact N-O 3.35Å; V59-M287 VanDerWaalsContact N-O 3.15Å
60K88Confident87.4Confident153 Ų15354.8 Ų54.867%0.66527%0.272SS*.G310 helixtrans-82.6-10.3179.6-56.9171.4-178164.70112.8D57 F58D57-K60 WeakPolarHBondContact O-CB 3.36Å; D57-K60 PolarHBondContact O-N 2.79Å; D57-K60 VanDerWaalsContact O-N 3.15Å; D57-K60 IonicContact OD1-NZ 3.99Å; D57-K60 PolarHBondContact OD1-NZ 2.8Å; F58-K60 PolarHBondContact O-N 3.29Å
61L85.8Confident87.7Confident17 Ų1754.5 Ų54.59%0.08927%0.268CS..  trans-73.4134.5-178.5-64.1174.2000110.5W45 F58 V59 V67 M293W45-L61 HydrophobicContact CH2-CD2 3.68Å; W45-L61 HydrophobicContact CZ2-CD2 4.04Å; F58-L61 HydrophobicContact CD1-CD1 3.77Å; F58-L61 HydrophobicContact CE1-CD1 4.38Å; F58-L61 HydrophobicContact CG-CD1 4.41Å; F58-L61 WeakPolarHBondContact O-CB 3.47Å; F58-L61 PolarHBondContact O-N 2.81Å; F58-L61 VanDerWaalsContact O-N 3.16Å; V59-L61 VanDerWaalsContact C-N 3.31Å; L61-V67 HydrophobicContact CD1-CG1 3.72Å; L61-V67 HydrophobicContact CD1-CG2 3.99Å; L61-V67 HydrophobicContact CD2-CG1 3.92Å; L61-M293 HydrophobicContact CB-CE 3.49Å; L61-M293 VanDerWaalsContact CB-CE 3.49Å; L61-M293 HydrophobicContact CD1-CE 4.45Å
62M82.2Confident88.2Confident100 Ų10048.5 Ų48.549%0.49324%0.24SC..  trans-75.8148.1173.5-60.3-60.6-71.300110.5F64 Q65 M293M62-F64 HydrophobicContact CB-CD1 3.81Å; M62-F64 HydrophobicContact CB-CE1 3.36Å; M62-F64 HydrophobicContact CB-CE2 4.25Å; M62-F64 HydrophobicContact CB-CG 4.42Å; M62-F64 HydrophobicContact CB-CZ 3.61Å; M62-F64 HydrophobicContact CE-CE1 4.25Å; M62-F64 HydrophobicContact CG-CE1 3.93Å; M62-F64 HydrophobicContact CG-CZ 3.96Å; M62-F64 PolarHBondContact O-N 2.82Å; M62-Q65 HydrophobicContact CB-CG 4.1Å; M62-Q65 VanDerWaalsContact O-CB 3.32Å; M62-Q65 WeakPolarHBondContact O-CB 3.34Å; M62-Q65 PolarHBondContact O-N 2.92Å; M62-M293 WeakPolarHBondContact O-CE 3.2Å
63P76.4Confident88.5Confident56 Ų5642 Ų4236%0.36422%0.216SC..THydrogen-bonded Turntrans-57.4-23.4-175-28.335.8000116A289 F292P63-A289 HydrophobicContact CG-CB 4.35Å; P63-F292 WeakPolarHBondContact O-CE2 3.26Å
64F76.9Confident88.8Confident66 Ų6642.7 Ų42.729%0.28922%0.218SC..THydrogen-bonded Turntrans-85.2-10.8177.262.1-100.7000113.6V46 M62 P348V46-F64 HydrophobicContact CG1-CD2 4.23Å; M62-F64 HydrophobicContact CB-CD1 3.81Å; M62-F64 HydrophobicContact CB-CE1 3.36Å; M62-F64 HydrophobicContact CB-CE2 4.25Å; M62-F64 HydrophobicContact CB-CG 4.42Å; M62-F64 HydrophobicContact CB-CZ 3.61Å; M62-F64 HydrophobicContact CE-CE1 4.25Å; M62-F64 HydrophobicContact CG-CE1 3.93Å; M62-F64 HydrophobicContact CG-CZ 3.96Å; M62-F64 PolarHBondContact O-N 2.82Å; F64-P348 HydrophobicContact CB-CB 3.94Å; F64-P348 HydrophobicContact CB-CG 3.86Å; F64-P348 HydrophobicContact CD2-CG 3.84Å; F64-P348 HydrophobicContact CG-CB 4.17Å; F64-P348 HydrophobicContact CG-CG 3.87Å
65Q85.5Confident89.1Confident15 Ų1536.6 Ų36.67%0.0719%0.193CC..  trans-81.5138.5-178.8-70.6-179.2-4400111.1W45 M62 M293W45-Q65 HydrophobicContact CD2-CG 4.49Å; W45-Q65 HydrophobicContact CE3-CB 4.32Å; W45-Q65 HydrophobicContact CE3-CG 4.07Å; W45-Q65 HydrophobicContact CH2-CB 3.94Å; W45-Q65 HydrophobicContact CH2-CG 4.13Å; W45-Q65 HydrophobicContact CZ3-CB 3.68Å; W45-Q65 HydrophobicContact CZ3-CG 3.88Å; W45-Q65 WeakPolarHBondContact O-CG 3.47Å; W45-Q65 PolarHBondContact O-NE2 2.8Å; M62-Q65 HydrophobicContact CB-CG 4.1Å; M62-Q65 VanDerWaalsContact O-CB 3.32Å; M62-Q65 WeakPolarHBondContact O-CB 3.34Å; M62-Q65 PolarHBondContact O-N 2.92Å; Q65-M293 WeakPolarHBondContact O-CB 3.34Å
66K89.1Confident89.3Confident25 Ų2534.6 Ų34.611%0.10918%0.181CC..EExtended strand (participates in β ladder)trans-120.5129.4178-152.5163.1-170.7141.50111.9V46 G47 Y48 F292 M293 Y295 S343 V345V46-K66 PolarHBondContact O-N 2.85Å; G47-K66 CarbonylContact C-O 3.53Å; Y48-K66 PolarHBondContact N-O 2.87Å; K66-F292 WeakPolarHBondContact CE-O 3.38Å; K66-F292 PolarHBondContact NZ-O 3.46Å; K66-M293 CarbonylContact C-O 3.48Å; K66-M293 VanDerWaalsContact CA-O 3.27Å; K66-M293 WeakPolarHBondContact CA-O 3.3Å; K66-Y295 HydrophobicContact CD-CD1 4.23Å; K66-Y295 HydrophobicContact CD-CE1 4.37Å; K66-Y295 HydrophobicContact CG-CD1 3.9Å; K66-Y295 HydrophobicContact CG-CE1 3.92Å; K66-S343 VanDerWaalsContact CD-O 3.26Å; K66-S343 WeakPolarHBondContact CD-O 2.97Å; K66-S343 WeakPolarHBondContact CE-O 3.47Å; K66-S343 PolarHBondContact NZ-O 2.78Å; K66-V345 HydrophobicContact CB-CG2 4.29Å; K66-V345 HydrophobicContact CD-CG2 4.33Å
67V92.3Very high89.5Confident0 Ų031.9 Ų31.90%016%0.164CC..EExtended strand (participates in β ladder)trans-122.6146.2-175.9-58.50000111.6W45 Y48 F58 L61 H69 M293 A294 Y295W45-V67 HydrophobicContact CH2-CG1 3.87Å; W45-V67 HydrophobicContact CZ3-CG1 4.24Å; Y48-V67 HydrophobicContact CD1-CB 4.35Å; Y48-V67 HydrophobicContact CD1-CG1 4.42Å; Y48-V67 HydrophobicContact CG-CG1 4.42Å; F58-V67 HydrophobicContact CD1-CG2 4.49Å; F58-V67 HydrophobicContact CE1-CG2 3.83Å; L61-V67 HydrophobicContact CD1-CG1 3.72Å; L61-V67 HydrophobicContact CD1-CG2 3.99Å; L61-V67 HydrophobicContact CD2-CG1 3.92Å; V67-H69 VanDerWaalsContact C-N 3.25Å; V67-H69 PolarHBondContact O-N 3.12Å; V67-M293 WeakPolarHBondContact CG2-O 3.24Å; V67-M293 PolarHBondContact N-O 3.2Å; V67-A294 HydrophobicContact CG2-CB 3.89Å; V67-A294 VanDerWaalsContact O-CA 3.27Å; V67-A294 WeakPolarHBondContact O-CA 3.44Å; V67-Y295 VanDerWaalsContact O-CD1 3.29Å; V67-Y295 WeakPolarHBondContact O-CD1 3.47Å; V67-Y295 WeakPolarHBondContact O-CE1 3.35Å; V67-Y295 PolarHBondContact O-N 3.13Å; V67-Y295 VanDerWaalsContact O-N 3.08Å
68N92.9Very high89.6Confident7 Ų733.8 Ų33.84%0.03717%0.168CC..SBendtrans-85.317.7-176.574.2-49.3000114.8Y48 W49 G50 Y295Y48-N68 WeakPolarHBondContact CD1-OD1 3.44Å; Y48-N68 PolarHBondContact O-N 2.94Å; W49-N68 HydrophobicContact CD2-CB 4.17Å; W49-N68 HydrophobicContact CE3-CB 3.88Å; W49-N68 HydrophobicContact CZ3-CB 4.35Å; G50-N68 PolarHBondContact N-OD1 3.19Å; G50-N68 VanDerWaalsContact N-OD1 3.15Å; N68-Y295 CarbonylContact C-O 3.33Å; N68-Y295 VanDerWaalsContact CA-O 3.29Å; N68-Y295 WeakPolarHBondContact CA-O 3.33Å; N68-Y295 HydrophobicContact CB-CD2 4.44Å; N68-Y295 HydrophobicContact CB-CE1 4.34Å; N68-Y295 HydrophobicContact CB-CE2 3.71Å
69H94.4Very high89.6Confident2 Ų235.1 Ų35.11%0.00917%0.174CC..  trans-142.2140.9-179.6-70.5-53.8000112.6G50 R52 F58 V67 A294 Y295 E296 S318G50-H69 PolarHBondContact O-NE2 3.4Å; R52-H69 HydrophobicContact CG-CB 4.5Å; F58-H69 WeakPolarHBondContact CE1-O 3.41Å; F58-H69 VanDerWaalsContact CZ-O 3.28Å; F58-H69 WeakPolarHBondContact CZ-O 3.33Å; V67-H69 VanDerWaalsContact C-N 3.25Å; V67-H69 PolarHBondContact O-N 3.12Å; H69-A294 WeakPolarHBondContact O-CB 3.39Å; H69-Y295 PolarHBondContact N-O 3.29Å; H69-Y295 VanDerWaalsContact N-O 3.16Å; H69-E296 VanDerWaalsContact CA-OE2 3.3Å; H69-E296 WeakPolarHBondContact CA-OE2 3.39Å; H69-E296 IonicContact CE1-OE1 2.83Å; H69-E296 PolarHBondContact CE1-OE1 3.38Å; H69-E296 IonicContact CG-OE1 3.23Å; H69-E296 IonicContact ND1-OE1 2.81Å; H69-E296 PolarHBondContact ND1-OE1 3.48Å; H69-E296 IonicContact ND1-OE2 2.66Å; H69-S318 PolarHBondContact CE1-OG 3.44Å; H69-S318 PolarHBondContact NE2-OG 3.47Å
70F94.8Very high89.8Confident0 Ų031.6 Ų31.60%015%0.152CC..  trans-89.8147.9168.5-66.3-73.5000111.9G72 N73 V181 W184 M284 A294 E296F70-G72 PolarHBondContact O-N 3.25Å; F70-G72 VanDerWaalsContact O-N 3.17Å; F70-N73 HydrophobicContact CB-CB 4.42Å; F70-N73 WeakPolarHBondContact O-CB 3.32Å; F70-N73 PolarHBondContact O-N 3.22Å; F70-N73 PolarHBondContact O-ND2 3.23Å; F70-V181 HydrophobicContact CE2-CB 4.11Å; F70-V181 HydrophobicContact CE2-CG1 3.97Å; F70-V181 WeakPolarHBondContact CE2-O 3.39Å; F70-V181 HydrophobicContact CZ-CG1 4.25Å; F70-W184 AromaticContact CD1-CD1 3.57Å; F70-W184 AromaticContact CD1-NE1 3.88Å; F70-W184 AromaticContact CD2-CD1 3.7Å; F70-W184 AromaticContact CD2-NE1 3.13Å; F70-W184 AromaticContact CE1-CD1 3.49Å; F70-W184 VanDerWaalsContact CE1-CD1 3.49Å; F70-W184 AromaticContact CE1-NE1 3.99Å; F70-W184 AromaticContact CE2-CD1 3.6Å; F70-W184 AromaticContact CE2-NE1 3.24Å; F70-W184 AromaticContact CG-CD1 3.68Å; F70-W184 AromaticContact CG-NE1 3.47Å; F70-W184 AromaticContact CZ-CD1 3.49Å; F70-W184 VanDerWaalsContact CZ-CD1 3.49Å; F70-W184 AromaticContact CZ-NE1 3.68Å; F70-M284 HydrophobicContact CD1-CE 3.83Å; F70-M284 HydrophobicContact CD1-CG 4.45Å; F70-M284 HydrophobicContact CD1-SD 3.54Å; F70-M284 VanDerWaalsContact CD1-SD 3.54Å; F70-M284 HydrophobicContact CE1-CE 3.76Å; F70-M284 HydrophobicContact CE1-SD 3.92Å; F70-M284 HydrophobicContact CG-SD 4.42Å; F70-A294 HydrophobicContact CD1-CB 3.41Å; F70-A294 VanDerWaalsContact CD1-CB 3.41Å; F70-A294 HydrophobicContact CE1-CB 3.5Å; F70-A294 WeakPolarHBondContact CE1-O 3.31Å; F70-A294 HydrophobicContact CG-CB 4.15Å; F70-A294 HydrophobicContact CZ-CB 4.32Å; F70-A294 VanDerWaalsContact CZ-O 3.24Å; F70-A294 WeakPolarHBondContact CZ-O 3.45Å; F70-E296 HydrophobicContact CD2-CB 3.47Å; F70-E296 VanDerWaalsContact CD2-CB 3.47Å; F70-E296 HydrophobicContact CE2-CB 3.61Å; F70-E296 PolarHBondContact N-OE2 3.25Å
71P93.4Very high90Very high2 Ų229.8 Ų29.81%0.01314%0.141CC..THydrogen-bonded Turntrans-60.5-28.5177.121.8-31.5000113.2V55 F58 F74 M284 M287 M288V55-P71 HydrophobicContact CG1-CB 4.09Å; V55-P71 WeakPolarHBondContact CG2-O 3.46Å; F58-P71 HydrophobicContact CD1-CB 4.5Å; F58-P71 HydrophobicContact CD1-CG 4.4Å; F58-P71 HydrophobicContact CD2-CB 3.75Å; F58-P71 HydrophobicContact CD2-CG 4.48Å; F58-P71 HydrophobicContact CE1-CG 4.49Å; F58-P71 HydrophobicContact CE2-CB 3.79Å; F58-P71 HydrophobicContact CG-CB 4.11Å; F58-P71 HydrophobicContact CG-CG 4.39Å; F58-P71 HydrophobicContact CZ-CB 4.2Å; P71-F74 VanDerWaalsContact O-CE1 3.27Å; P71-F74 WeakPolarHBondContact O-CE1 3.3Å; P71-M284 HydrophobicContact CG-CG 3.96Å; P71-M287 HydrophobicContact CG-CB 4.48Å; P71-M288 VanDerWaalsContact CD-SD 3.57Å; P71-M288 HydrophobicContact CG-CG 4.39Å; P71-M288 HydrophobicContact CG-SD 3.9Å
72G92.8Very high90.4Very high0 Ų029.4 Ų29.40%014%0.139CC..THydrogen-bonded Turntrans-975.2-178.100000115.8F70 F74 L75F70-G72 PolarHBondContact O-N 3.25Å; F70-G72 VanDerWaalsContact O-N 3.17Å; G72-F74 PolarHBondContact O-N 3.28Å; G72-L75 WeakPolarHBondContact O-CB 3.29Å; G72-L75 WeakPolarHBondContact O-CG 3.33Å; G72-L75 PolarHBondContact O-N 2.99Å
73N92.7Very high91Very high0 Ų025.1 Ų25.10%012%0.119CC..THydrogen-bonded Turntrans-57.5-25.6-170.465.67.3000115.1R52 F70 L75 L76 G77 E296 Y298 I317R52-N73 VanDerWaalsContact CD-OD1 3.25Å; R52-N73 WeakPolarHBondContact CD-OD1 3.2Å; F70-N73 HydrophobicContact CB-CB 4.42Å; F70-N73 WeakPolarHBondContact O-CB 3.32Å; F70-N73 PolarHBondContact O-N 3.22Å; F70-N73 PolarHBondContact O-ND2 3.23Å; N73-L75 PolarHBondContact O-N 3.48Å; N73-L76 PolarHBondContact O-N 2.78Å; N73-G77 PolarHBondContact O-N 3.47Å; N73-E296 WeakPolarHBondContact CB-OE2 3.33Å; N73-E296 VanDerWaalsContact ND2-CD 3.35Å; N73-E296 PolarHBondContact ND2-OE1 2.92Å; N73-E296 PolarHBondContact ND2-OE2 3.47Å; N73-Y298 HydrophobicContact CB-CE1 4.38Å; N73-I317 HydrophobicContact CB-CD1 4.17Å; N73-I317 HydrophobicContact CB-CG2 4.44Å; N73-I317 WeakPolarHBondContact ND2-CG2 3.31Å; N73-I317 WeakPolarHBondContact O-CD1 3.23Å
74F92.2Very high91.8Very high47 Ų4725 Ų2521%0.20612%0.115CC..Hα-helixtrans-64.2-18.3176.166.5-94.4000113.8V55 P71 G72 L76 R78 L283V55-F74 HydrophobicContact CG2-CE1 4.28Å; P71-F74 VanDerWaalsContact O-CE1 3.27Å; P71-F74 WeakPolarHBondContact O-CE1 3.3Å; G72-F74 PolarHBondContact O-N 3.28Å; F74-L76 VanDerWaalsContact C-N 3.35Å; F74-R78 HydrophobicContact CB-CG 4.12Å; F74-R78 VanDerWaalsContact O-CB 3.23Å; F74-R78 WeakPolarHBondContact O-CB 3.26Å; F74-R78 WeakPolarHBondContact O-CG 3.13Å; F74-R78 PolarHBondContact O-N 3.43Å; F74-L283 HydrophobicContact CE1-CD1 4.35Å; F74-L283 HydrophobicContact CZ-CD1 4.16Å
75L94.3Very high92.6Very high23 Ų2322.5 Ų22.512%0.1211%0.105CC..Hα-helixtrans-67.5-39175.4-69.1167.2000111.4G72 N73 R81 L82 P279 I280 L283G72-L75 WeakPolarHBondContact O-CB 3.29Å; G72-L75 WeakPolarHBondContact O-CG 3.33Å; G72-L75 PolarHBondContact O-N 2.99Å; N73-L75 PolarHBondContact O-N 3.48Å; L75-R81 CarbonylContact O-C 3.51Å; L75-R81 WeakPolarHBondContact O-CB 3.33Å; L75-L82 PolarHBondContact O-N 3.25Å; L75-P279 HydrophobicContact CD1-CB 3.73Å; L75-P279 HydrophobicContact CD1-CG 3.94Å; L75-I280 HydrophobicContact CB-CG1 4.34Å; L75-I280 HydrophobicContact CD1-CG1 3.73Å; L75-L283 HydrophobicContact CD1-CD1 4.29Å
76L94.2Very high93.1Very high0 Ų022.1 Ų22.10%010%0.104CC..Hα-helixtrans-84.8-40.8175.6-170.170.7000111.4N73 F74 L82 L273 C276 Y298 F300 V315N73-L76 PolarHBondContact O-N 2.78Å; F74-L76 VanDerWaalsContact C-N 3.35Å; L76-L82 HydrophobicContact CD1-CD1 3.95Å; L76-L273 HydrophobicContact CD2-CD2 3.77Å; L76-C276 HydrophobicContact CD1-CB 4.44Å; L76-Y298 HydrophobicContact CB-CE1 4.5Å; L76-Y298 HydrophobicContact CD2-CD1 3.89Å; L76-Y298 HydrophobicContact CD2-CD2 4.21Å; L76-Y298 HydrophobicContact CD2-CE1 3.81Å; L76-Y298 HydrophobicContact CD2-CE2 4.13Å; L76-Y298 HydrophobicContact CD2-CG 4.08Å; L76-F300 HydrophobicContact CD2-CZ 4.32Å; L76-V315 HydrophobicContact CD1-CG2 4.36Å; L76-V315 HydrophobicContact CD2-CG1 3.86Å; L76-V315 HydrophobicContact CG-CB 4.11Å; L76-V315 HydrophobicContact CG-CG1 3.9Å; L76-V315 HydrophobicContact CG-CG2 4.21Å
77G92.7Very high93.2Very high16 Ų1623.6 Ų23.617%0.16511%0.113CC..Hα-helixtrans-90-14.6-169.400000117N73 V315N73-G77 PolarHBondContact O-N 3.47Å; G77-V315 VanDerWaalsContact CA-O 3.28Å; G77-V315 WeakPolarHBondContact CA-O 3.38Å
78R91.8Very high93.3Very high83 Ų8329.4 Ų29.431%0.31314%0.14SC..SBendtrans-87.9127.9168.4-66.8178.953.8103.4-2.8109.9F74 D80 R81 L82F74-R78 HydrophobicContact CB-CG 4.12Å; F74-R78 VanDerWaalsContact O-CB 3.23Å; F74-R78 WeakPolarHBondContact O-CB 3.26Å; F74-R78 WeakPolarHBondContact O-CG 3.13Å; F74-R78 PolarHBondContact O-N 3.43Å; R78-D80 VanDerWaalsContact C-N 3.28Å; R78-D80 WeakPolarHBondContact CB-OD1 3.48Å; R78-D80 IonicContact CZ-OD1 3.96Å; R78-D80 IonicContact CZ-OD2 3.78Å; R78-D80 IonicContact NE-OD1 2.75Å; R78-D80 PolarHBondContact NE-OD1 2.82Å; R78-D80 IonicContact NE-OD2 2.65Å; R78-D80 IonicContact NH2-OD1 2.75Å; R78-D80 PolarHBondContact NH2-OD1 2.95Å; R78-D80 IonicContact NH2-OD2 3.2Å; R78-D80 PolarHBondContact NH2-OD2 2.98Å; R78-D80 PolarHBondContact O-N 3.2Å; R78-R81 HydrophobicContact CB-CB 4.21Å; R78-R81 HydrophobicContact CB-CG 4.07Å; R78-R81 PolarHBondContact O-N 2.75Å; R78-R81 VanDerWaalsContact O-N 3.1Å; R78-L82 WeakPolarHBondContact O-CB 3.41Å; R78-L82 PolarHBondContact O-N 2.79Å
79K91.4Very high93.4Very high30 Ų3030.1 Ų30.113%0.1314%0.143CC..Hα-helixtrans-55.8-39-177.8-66.4171.6175.4650113.3C83 K131 I157 E314K79-C83 WeakPolarHBondContact O-CB 2.87Å; K79-C83 PolarHBondContact O-N 3.34Å; K79-C83 VanDerWaalsContact O-N 3.13Å; K79-K131 HydrophobicContact CD-CD 4.43Å; K79-I157 HydrophobicContact CB-CD1 3.19Å; K79-I157 HydrophobicContact CD-CD1 4.32Å; K79-I157 HydrophobicContact CG-CD1 4.39Å; K79-E314 WeakPolarHBondContact CE-OE2 3.2Å; K79-E314 IonicContact NZ-OE2 3.77Å; K79-E314 PolarHBondContact NZ-OE2 3.31Å
80D91Very high93.2Very high22 Ų2231.6 Ų31.612%0.11816%0.156CC..Hα-helixtrans-69.5-41.4179.259.1-22.2000111.7R78 L84 I106 I157R78-D80 VanDerWaalsContact C-N 3.28Å; R78-D80 WeakPolarHBondContact CB-OD1 3.48Å; R78-D80 IonicContact CZ-OD1 3.96Å; R78-D80 IonicContact CZ-OD2 3.78Å; R78-D80 IonicContact NE-OD1 2.75Å; R78-D80 PolarHBondContact NE-OD1 2.82Å; R78-D80 IonicContact NE-OD2 2.65Å; R78-D80 IonicContact NH2-OD1 2.75Å; R78-D80 PolarHBondContact NH2-OD1 2.95Å; R78-D80 IonicContact NH2-OD2 3.2Å; R78-D80 PolarHBondContact NH2-OD2 2.98Å; R78-D80 PolarHBondContact O-N 3.2Å; D80-L84 VanDerWaalsContact O-CG 3.29Å; D80-L84 WeakPolarHBondContact O-CG 3.4Å; D80-L84 PolarHBondContact O-N 3.35Å; D80-I106 HydrophobicContact CB-CD1 4.13Å; D80-I106 HydrophobicContact CB-CG1 4.47Å; D80-I157 HydrophobicContact CB-CD1 3.91Å; D80-I157 HydrophobicContact CB-CG1 4.4Å; D80-I157 VanDerWaalsContact N-CD1 3.28Å
81R93.9Very high93.1Very high114 Ų11440.2 Ų40.243%0.4319%0.194SC..Hα-helixtrans-70.4-44.4178.2-61.9-59.8-177.9170.1-0.5111.9L75 R78 C83 L84 S85L75-R81 CarbonylContact O-C 3.51Å; L75-R81 WeakPolarHBondContact O-CB 3.33Å; R78-R81 HydrophobicContact CB-CB 4.21Å; R78-R81 HydrophobicContact CB-CG 4.07Å; R78-R81 PolarHBondContact O-N 2.75Å; R78-R81 VanDerWaalsContact O-N 3.1Å; R81-C83 VanDerWaalsContact C-N 3.34Å; R81-C83 PolarHBondContact O-N 2.77Å; R81-L84 PolarHBondContact O-N 2.85Å; R81-L84 VanDerWaalsContact O-N 3.14Å; R81-S85 PolarHBondContact O-N 2.85Å; R81-S85 PolarHBondContact O-OG 3.34Å
82L94.5Very high93.1Very high10 Ų1047.1 Ų47.15%0.05222%0.219CC..Hα-helixtrans-57.2-47.7176.1177.559.4000111.4L75 L76 R78 L84 S85 L86 L312 V315L75-L82 PolarHBondContact O-N 3.25Å; L76-L82 HydrophobicContact CD1-CD1 3.95Å; R78-L82 WeakPolarHBondContact O-CB 3.41Å; R78-L82 PolarHBondContact O-N 2.79Å; L82-L84 VanDerWaalsContact C-N 3.31Å; L82-L84 PolarHBondContact O-N 3.17Å; L82-S85 PolarHBondContact O-N 2.78Å; L82-L86 HydrophobicContact CD1-CD1 3.93Å; L82-L86 HydrophobicContact CD1-CG 4.04Å; L82-L86 HydrophobicContact CG-CD1 3.97Å; L82-L86 HydrophobicContact CG-CG 4.44Å; L82-L86 WeakPolarHBondContact O-CG 3.36Å; L82-L86 PolarHBondContact O-N 2.81Å; L82-L312 HydrophobicContact CD2-CD2 4.12Å; L82-V315 HydrophobicContact CD2-CG2 4.08Å
83C93.3Very high93.1Very high10 Ų1050.1 Ų50.17%0.06823%0.231CC..Hα-helixtrans-57.1-44.5176.4169.30000111.8K79 R81 S85 L86 D87 T104K79-C83 WeakPolarHBondContact O-CB 2.87Å; K79-C83 PolarHBondContact O-N 3.34Å; K79-C83 VanDerWaalsContact O-N 3.13Å; R81-C83 VanDerWaalsContact C-N 3.34Å; R81-C83 PolarHBondContact O-N 2.77Å; C83-S85 PolarHBondContact O-N 3.27Å; C83-L86 PolarHBondContact O-N 3.41Å; C83-D87 VanDerWaalsContact O-CB 3.3Å; C83-D87 WeakPolarHBondContact O-CB 3.32Å; C83-D87 VanDerWaalsContact O-CG 3.26Å; C83-D87 PolarHBondContact O-N 3.16Å; C83-T104 HydrophobicContact CB-CG2 4.07Å; C83-T104 VanDerWaalsContact SG-CB 3.55Å
84L94Very high92.9Very high54 Ų5457.8 Ų57.828%0.28326%0.264SS..Hα-helixtrans-65-40.4178.5-69170.9000112.7D80 R81 L82 Q88 I106 R109D80-L84 VanDerWaalsContact O-CG 3.29Å; D80-L84 WeakPolarHBondContact O-CG 3.4Å; D80-L84 PolarHBondContact O-N 3.35Å; R81-L84 PolarHBondContact O-N 2.85Å; R81-L84 VanDerWaalsContact O-N 3.14Å; L82-L84 VanDerWaalsContact C-N 3.31Å; L82-L84 PolarHBondContact O-N 3.17Å; L84-Q88 WeakPolarHBondContact O-CB 3.34Å; L84-Q88 PolarHBondContact O-N 2.69Å; L84-I106 HydrophobicContact CD1-CD1 3.98Å; L84-I106 HydrophobicContact CD2-CD1 3.81Å; L84-I106 HydrophobicContact CG-CD1 3.67Å; L84-R109 VanDerWaalsContact CD2-NH2 3.31Å
85S94.4Very high92.5Very high13 Ų1363 Ų639%0.09129%0.287CS..Hα-helixtrans-63.1-46.1176.1-60.40000111.2R81 L82 C83 Q88 M89R81-S85 PolarHBondContact O-N 2.85Å; R81-S85 PolarHBondContact O-OG 3.34Å; L82-S85 PolarHBondContact O-N 2.78Å; C83-S85 PolarHBondContact O-N 3.27Å; S85-Q88 PolarHBondContact O-N 3.29Å; S85-M89 WeakPolarHBondContact O-CG 3.44Å; S85-M89 PolarHBondContact O-N 3.3Å
86L94.8Very high92.2Very high7 Ų769.2 Ų69.24%0.03732%0.315CS..Hα-helixtrans-66.7-42.2178.3-67.2176.4000112.1L82 C83 Q88 M89 A90 F98 F100 A101 L312L82-L86 HydrophobicContact CD1-CD1 3.93Å; L82-L86 HydrophobicContact CD1-CG 4.04Å; L82-L86 HydrophobicContact CG-CD1 3.97Å; L82-L86 HydrophobicContact CG-CG 4.44Å; L82-L86 WeakPolarHBondContact O-CG 3.36Å; L82-L86 PolarHBondContact O-N 2.81Å; C83-L86 PolarHBondContact O-N 3.41Å; L86-Q88 VanDerWaalsContact C-N 3.3Å; L86-Q88 PolarHBondContact O-N 3.48Å; L86-M89 PolarHBondContact O-N 2.86Å; L86-M89 VanDerWaalsContact O-N 3.17Å; L86-A90 WeakPolarHBondContact O-CB 3.43Å; L86-A90 PolarHBondContact O-N 3.4Å; L86-F98 HydrophobicContact CD2-CD1 4.28Å; L86-F100 HydrophobicContact CD1-CE2 4.31Å; L86-F100 HydrophobicContact CD2-CE2 3.79Å; L86-F100 HydrophobicContact CD2-CZ 3.77Å; L86-A101 HydrophobicContact CD1-CB 3.68Å; L86-L312 HydrophobicContact CD1-CD2 4.28Å
87D91.8Very high92.2Very high55 Ų5571.2 Ų71.229%0.29432%0.324SS..Hα-helixtrans-62.2-38.3175.8-79.5-4.6000111.6C83 M89 A90 K91C83-D87 VanDerWaalsContact O-CB 3.3Å; C83-D87 WeakPolarHBondContact O-CB 3.32Å; C83-D87 VanDerWaalsContact O-CG 3.26Å; C83-D87 PolarHBondContact O-N 3.16Å; D87-M89 VanDerWaalsContact C-N 3.34Å; D87-A90 PolarHBondContact O-N 3.32Å; D87-K91 VanDerWaalsContact O-CG 3.29Å; D87-K91 WeakPolarHBondContact O-CG 3.18Å; D87-K91 PolarHBondContact O-N 3.45Å
88Q93.3Very high92.3Very high123 Ų12370.7 Ų70.758%0.57532%0.318SS*.Hα-helixtrans-63.9-42.9175.2-176.4175.47.200111L84 S85 L86 K91 R92L84-Q88 WeakPolarHBondContact O-CB 3.34Å; L84-Q88 PolarHBondContact O-N 2.69Å; S85-Q88 PolarHBondContact O-N 3.29Å; L86-Q88 VanDerWaalsContact C-N 3.3Å; L86-Q88 PolarHBondContact O-N 3.48Å; Q88-K91 PolarHBondContact O-N 3.22Å; Q88-R92 PolarHBondContact O-N 3.41Å
89M95Very high92.4Very high21 Ų2167.3 Ų67.310%0.10331%0.308CS..Hα-helixtrans-65.8-43.3175.8-67.8-59.3-72.700111.8S85 L86 D87 K91 R92 W93 F98 Y403S85-M89 WeakPolarHBondContact O-CG 3.44Å; S85-M89 PolarHBondContact O-N 3.3Å; L86-M89 PolarHBondContact O-N 2.86Å; L86-M89 VanDerWaalsContact O-N 3.17Å; D87-M89 VanDerWaalsContact C-N 3.34Å; M89-K91 PolarHBondContact O-N 3.27Å; M89-R92 PolarHBondContact O-N 2.93Å; M89-R92 VanDerWaalsContact O-N 3.08Å; M89-W93 WeakPolarHBondContact O-CB 3.27Å; M89-W93 PolarHBondContact O-N 3.01Å; M89-F98 HydrophobicContact CB-CB 4.38Å; M89-F98 HydrophobicContact CB-CD1 3.45Å; M89-F98 VanDerWaalsContact CB-CD1 3.45Å; M89-F98 HydrophobicContact CB-CD2 4Å; M89-F98 HydrophobicContact CB-CE1 3.61Å; M89-F98 HydrophobicContact CB-CE2 4.16Å; M89-F98 HydrophobicContact CB-CG 3.66Å; M89-F98 HydrophobicContact CB-CZ 3.99Å; M89-F98 HydrophobicContact CE-CE1 3.79Å; M89-F98 HydrophobicContact CE-CE2 3.82Å; M89-F98 HydrophobicContact CE-CZ 3.27Å; M89-F98 HydrophobicContact CG-CD1 4.16Å; M89-F98 HydrophobicContact CG-CE1 3.88Å; M89-F98 HydrophobicContact CG-CZ 4.28Å; M89-Y403 VanDerWaalsContact CE-O 3.27Å; M89-Y403 WeakPolarHBondContact CE-O 3.21Å
90A92.2Very high92.6Very high34 Ų3466.6 Ų66.628%0.28131%0.305SS..Hα-helixtrans-69.8-13178.400000114.4L86 D87 W93 F98L86-A90 WeakPolarHBondContact O-CB 3.43Å; L86-A90 PolarHBondContact O-N 3.4Å; D87-A90 PolarHBondContact O-N 3.32Å; A90-W93 CarbonylContact C-O 3.54Å; A90-F98 HydrophobicContact CB-CB 3.9Å
91K91.5Very high92.8Very high181 Ų18166.8 Ų66.879%0.78731%0.31SS*.Hα-helixtrans-83.6-33.4167.9-75.3170.5-175178.20112.4D87 Q88 M89D87-K91 VanDerWaalsContact O-CG 3.29Å; D87-K91 WeakPolarHBondContact O-CG 3.18Å; D87-K91 PolarHBondContact O-N 3.45Å; Q88-K91 PolarHBondContact O-N 3.22Å; M89-K91 PolarHBondContact O-N 3.27Å
92R93.2Very high92.9Very high146 Ų14661.5 Ų61.555%0.55129%0.29SS*.Hα-helixtrans-81.2-35.3179-176.5176-178.8-169.5-1111.8Q88 M89Q88-R92 PolarHBondContact O-N 3.41Å; M89-R92 PolarHBondContact O-N 2.93Å; M89-R92 VanDerWaalsContact O-N 3.08Å
93W93.3Very high92.9Very high64 Ų6464.8 Ų64.824%0.24231%0.305CS..SBendtrans-112.2165.9-178.8-62.1100000110.3M89 A90 E97 F98 K402 Y403M89-W93 WeakPolarHBondContact O-CB 3.27Å; M89-W93 PolarHBondContact O-N 3.01Å; A90-W93 CarbonylContact C-O 3.54Å; W93-E97 HydrophobicContact CB-CB 4.17Å; W93-F98 HydrophobicContact CB-CD2 3.73Å; W93-F98 HydrophobicContact CB-CE2 3.98Å; W93-F98 AromaticContact CD1-CE2 3.57Å; W93-F98 HydrophobicContact CG-CD2 4.04Å; W93-F98 AromaticContact CG-CE2 3.78Å; W93-F98 HydrophobicContact CG-CE2 3.78Å; W93-K402 HydrophobicContact CH2-CB 4.03Å; W93-K402 HydrophobicContact CH2-CD 4.39Å; W93-K402 HydrophobicContact CH2-CG 3.98Å; W93-K402 WeakPolarHBondContact CZ2-O 3.28Å; W93-K402 HydrophobicContact CZ3-CD 4.42Å; W93-K402 HydrophobicContact CZ3-CG 4.43Å; W93-Y403 AromaticContact CD2-CD1 3.73Å; W93-Y403 HydrophobicContact CD2-CD1 3.73Å; W93-Y403 AromaticContact CD2-CE1 3.93Å; W93-Y403 HydrophobicContact CD2-CE1 3.93Å; W93-Y403 AromaticContact CE2-CD1 3.62Å; W93-Y403 HydrophobicContact CE3-CD1 4.12Å; W93-Y403 AromaticContact CE3-CE1 3.93Å; W93-Y403 HydrophobicContact CE3-CE1 3.93Å; W93-Y403 HydrophobicContact CG-CD1 4.17Å; W93-Y403 HydrophobicContact CG-CE1 4.4Å; W93-Y403 HydrophobicContact CH2-CD1 4.34Å; W93-Y403 AromaticContact CZ2-CD1 3.98Å; W93-Y403 HydrophobicContact CZ2-CD1 3.98Å; W93-Y403 HydrophobicContact CZ3-CD1 4.39Å; W93-Y403 HydrophobicContact CZ3-CE1 4.27Å; W93-Y403 AromaticContact NE1-CD1 3.88Å
94K87.4Confident93Very high160 Ų16065 Ų6570%0.69631%0.306SS*.  trans-69.7157.8177.4-49.6-176.8176.11780111.2E96 E97K94-E96 WeakPolarHBondContact CB-OE2 3.37Å; K94-E96 PolarHBondContact O-N 3.23Å; K94-E97 WeakPolarHBondContact O-CB 3.36Å; K94-E97 PolarHBondContact O-N 3.32Å
95K85.7Confident93Very high158 Ų15863.2 Ų63.269%0.68730%0.296SS*.Hα-helixtrans-63.8-24-179.4-169.7176.9179.3-177.50112.1E97 G99K95-E97 PolarHBondContact O-N 3.35Å; K95-G99 WeakPolarHBondContact O-CA 3.29Å; K95-G99 PolarHBondContact O-N 3.4Å
96E87.7Confident93.1Very high152 Ų15263.7 Ų63.771%0.7130%0.297SS*.Hα-helixtrans-65.9-25.9175.3-60.169.5-143.100111.6K94K94-E96 WeakPolarHBondContact CB-OE2 3.37Å; K94-E96 PolarHBondContact O-N 3.23Å
97E93.1Very high93.1Very high43 Ų4363.6 Ų63.620%0.20130%0.297CS..Hα-helixtrans-86.1-42.8-177.8-64.3-71-179.300112.8W93 K94 K95 F100 K271 Y403W93-E97 HydrophobicContact CB-CB 4.17Å; K94-E97 WeakPolarHBondContact O-CB 3.36Å; K94-E97 PolarHBondContact O-N 3.32Å; K95-E97 PolarHBondContact O-N 3.35Å; E97-F100 WeakPolarHBondContact O-CD1 3.38Å; E97-F100 WeakPolarHBondContact O-CE1 3.35Å; E97-K271 WeakPolarHBondContact O-CD 3.41Å; E97-K271 PolarHBondContact O-NZ 3.21Å; E97-K271 WeakPolarHBondContact OE2-CE 3.27Å; E97-K271 IonicContact OE2-NZ 2.82Å; E97-K271 PolarHBondContact OE2-NZ 3.14Å; E97-Y403 HydrophobicContact CB-CE1 4.43Å; E97-Y403 HydrophobicContact CG-CE1 4.38Å; E97-Y403 PolarHBondContact OE1-OH 3Å; E97-Y403 PolarHBondContact OE2-OH 3.08Å
98F95.5Very high93.3Very high5 Ų564.1 Ų64.12%0.02230%0.304CS..Hα-helixtrans-1207.9-174.4-74.6-91.3000114.4L86 M89 A90 W93 F100 K271 Y403L86-F98 HydrophobicContact CD2-CD1 4.28Å; M89-F98 HydrophobicContact CB-CB 4.38Å; M89-F98 HydrophobicContact CB-CD1 3.45Å; M89-F98 VanDerWaalsContact CB-CD1 3.45Å; M89-F98 HydrophobicContact CB-CD2 4Å; M89-F98 HydrophobicContact CB-CE1 3.61Å; M89-F98 HydrophobicContact CB-CE2 4.16Å; M89-F98 HydrophobicContact CB-CG 3.66Å; M89-F98 HydrophobicContact CB-CZ 3.99Å; M89-F98 HydrophobicContact CE-CE1 3.79Å; M89-F98 HydrophobicContact CE-CE2 3.82Å; M89-F98 HydrophobicContact CE-CZ 3.27Å; M89-F98 HydrophobicContact CG-CD1 4.16Å; M89-F98 HydrophobicContact CG-CE1 3.88Å; M89-F98 HydrophobicContact CG-CZ 4.28Å; A90-F98 HydrophobicContact CB-CB 3.9Å; W93-F98 HydrophobicContact CB-CD2 3.73Å; W93-F98 HydrophobicContact CB-CE2 3.98Å; W93-F98 AromaticContact CD1-CE2 3.57Å; W93-F98 HydrophobicContact CG-CD2 4.04Å; W93-F98 AromaticContact CG-CE2 3.78Å; W93-F98 HydrophobicContact CG-CE2 3.78Å; F98-F100 HydrophobicContact CB-CE1 4.41Å; F98-F100 AromaticContact CD1-CE1 3.94Å; F98-F100 HydrophobicContact CD1-CE1 3.94Å; F98-F100 AromaticContact CD1-CZ 3.99Å; F98-F100 HydrophobicContact CD1-CZ 3.99Å; F98-F100 HydrophobicContact CG-CE1 4.35Å; F98-F100 PolarHBondContact O-N 3.38Å; F98-F100 VanDerWaalsContact O-N 3.15Å; F98-K271 HydrophobicContact CD1-CB 4.38Å; F98-K271 HydrophobicContact CE1-CB 3.76Å; F98-K271 HydrophobicContact CE1-CG 4.3Å; F98-K271 HydrophobicContact CZ-CB 4.13Å; F98-K271 HydrophobicContact CZ-CD 4.46Å; F98-K271 HydrophobicContact CZ-CG 4.17Å; F98-Y403 AromaticContact CE2-CD1 3.61Å; F98-Y403 HydrophobicContact CE2-CD1 3.61Å; F98-Y403 AromaticContact CE2-CE1 3.95Å; F98-Y403 HydrophobicContact CE2-CE1 3.95Å; F98-Y403 HydrophobicContact CE2-CG 4.29Å; F98-Y403 AromaticContact CZ-CD1 3.96Å; F98-Y403 HydrophobicContact CZ-CD1 3.96Å; F98-Y403 HydrophobicContact CZ-CG 4.17Å
99G93.2Very high93.4Very high11 Ų1166.6 Ų66.611%0.11331%0.308CS..THydrogen-bonded Turntrans-82.325.8178.600000114.3K95 A101 R309 W311K95-G99 WeakPolarHBondContact O-CA 3.29Å; K95-G99 PolarHBondContact O-N 3.4Å; G99-A101 VanDerWaalsContact C-N 3.32Å; G99-R309 PolarHBondContact O-NH2 3.2Å; G99-W311 WeakPolarHBondContact O-CZ3 3.45Å
100F96Very high93.4Very high16 Ų1667.9 Ų67.97%0.0731%0.313CS..THydrogen-bonded Turntrans-88.73.417956.1-108.4000113.2L86 E97 F98 L268 K271 A272 W311 L312L86-F100 HydrophobicContact CD1-CE2 4.31Å; L86-F100 HydrophobicContact CD2-CE2 3.79Å; L86-F100 HydrophobicContact CD2-CZ 3.77Å; E97-F100 WeakPolarHBondContact O-CD1 3.38Å; E97-F100 WeakPolarHBondContact O-CE1 3.35Å; F98-F100 HydrophobicContact CB-CE1 4.41Å; F98-F100 AromaticContact CD1-CE1 3.94Å; F98-F100 HydrophobicContact CD1-CE1 3.94Å; F98-F100 AromaticContact CD1-CZ 3.99Å; F98-F100 HydrophobicContact CD1-CZ 3.99Å; F98-F100 HydrophobicContact CG-CE1 4.35Å; F98-F100 PolarHBondContact O-N 3.38Å; F98-F100 VanDerWaalsContact O-N 3.15Å; F100-L268 HydrophobicContact CB-CB 4.36Å; F100-L268 HydrophobicContact CB-CD1 3.94Å; F100-L268 HydrophobicContact CD1-CB 4.42Å; F100-L268 HydrophobicContact CD2-CB 4.13Å; F100-L268 HydrophobicContact CD2-CD1 3.76Å; F100-L268 HydrophobicContact CD2-CG 3.87Å; F100-L268 HydrophobicContact CE2-CG 4.32Å; F100-L268 HydrophobicContact CG-CB 4.05Å; F100-L268 HydrophobicContact CG-CD1 4.06Å; F100-L268 HydrophobicContact CG-CG 4.25Å; F100-K271 HydrophobicContact CE1-CB 3.68Å; F100-K271 HydrophobicContact CE1-CD 3.97Å; F100-K271 HydrophobicContact CZ-CB 3.79Å; F100-A272 HydrophobicContact CE2-CB 4.37Å; F100-W311 CarbonylContact O-C 3.56Å; F100-W311 VanDerWaalsContact O-CA 3.3Å; F100-W311 WeakPolarHBondContact O-CA 3.45Å; F100-L312 HydrophobicContact CD2-CB 4.16Å; F100-L312 HydrophobicContact CE2-CD2 4.23Å; F100-L312 PolarHBondContact O-N 2.83Å
101A95.9Very high93.6Very high25 Ų2569 Ų6921%0.20731%0.31CS..SBendtrans-110.9144.8168.400000110.3L86 G99L86-A101 HydrophobicContact CD1-CB 3.68Å; G99-A101 VanDerWaalsContact C-N 3.32Å
102P95Very high93.8Very high4 Ų471 Ų713%0.02631%0.313CS..  trans-66.3146.8177.3-15.227.6000111.7T104 Q159 R160 I162 W311 L312 I313P102-T104 PolarHBondContact O-N 3.13Å; P102-T104 PolarHBondContact O-OG1 3.43Å; P102-Q159 HydrophobicContact CB-CG 3.67Å; P102-Q159 HydrophobicContact CG-CG 4.21Å; P102-R160 HydrophobicContact CB-CB 4.47Å; P102-R160 WeakPolarHBondContact CB-O 3.41Å; P102-I162 HydrophobicContact CG-CD1 3.93Å; P102-I162 HydrophobicContact CG-CG1 4.4Å; P102-W311 HydrophobicContact CG-CE3 4.13Å; P102-L312 WeakPolarHBondContact CD-O 3.45Å; P102-I313 HydrophobicContact CG-CD1 4.3Å
103E93.7Very high93.8Very high79 Ų7966.7 Ų66.737%0.36931%0.308SS..  trans-49.7126.6175.5-178.6-179.6-143.100110.3F105 R117 Q159 R160E103-F105 HydrophobicContact CG-CE2 3.67Å; E103-F105 HydrophobicContact CG-CZ 3.95Å; E103-R117 IonicContact OE1-NE 3.73Å; E103-R117 IonicContact OE2-NE 3.53Å; E103-R117 PolarHBondContact OE2-NE 3.36Å; E103-R117 IonicContact OE2-NH2 3.38Å; E103-Q159 CarbonylContact O-C 3.56Å; E103-Q159 WeakPolarHBondContact O-CA 3.33Å; E103-R160 HydrophobicContact CB-CB 4.2Å; E103-R160 PolarHBondContact O-N 3.5Å
104T95.5Very high93.9Very high14 Ų1463.6 Ų63.69%0.08630%0.296CS..EExtended strand (participates in β ladder)trans-134.3140-169.1-61.90000110.8C83 P102 I157 V158 Q159C83-T104 HydrophobicContact CB-CG2 4.07Å; C83-T104 VanDerWaalsContact SG-CB 3.55Å; P102-T104 PolarHBondContact O-N 3.13Å; P102-T104 PolarHBondContact O-OG1 3.43Å; T104-I157 HydrophobicContact CG2-CG2 3.28Å; T104-V158 CarbonylContact C-O 3.53Å; T104-V158 WeakPolarHBondContact CA-O 3.37Å; T104-Q159 HydrophobicContact CG2-CB 4.41Å; T104-Q159 WeakPolarHBondContact OG1-CG 3.41Å; T104-Q159 PolarHBondContact OG1-NE2 2.72Å
105F95.7Very high94.2Very high16 Ų1657.5 Ų57.57%0.0727%0.271CS..EExtended strand (participates in β ladder)trans-126.2133.3179.4-60.2-91.2000110.1E103 Q110 A113 L114 R117 F128 I157 V158E103-F105 HydrophobicContact CG-CE2 3.67Å; E103-F105 HydrophobicContact CG-CZ 3.95Å; F105-Q110 HydrophobicContact CB-CB 4.23Å; F105-Q110 HydrophobicContact CD1-CB 4.21Å; F105-A113 HydrophobicContact CD1-CB 4.35Å; F105-A113 HydrophobicContact CE1-CB 4.14Å; F105-L114 HydrophobicContact CB-CB 4.14Å; F105-L114 HydrophobicContact CD1-CB 3.96Å; F105-L114 HydrophobicContact CD2-CB 4.24Å; F105-L114 HydrophobicContact CD2-CD1 3.63Å; F105-L114 HydrophobicContact CD2-CG 4.47Å; F105-L114 HydrophobicContact CE1-CB 4.44Å; F105-L114 HydrophobicContact CE2-CD1 3.95Å; F105-L114 HydrophobicContact CG-CB 3.85Å; F105-L114 HydrophobicContact CG-CD1 4.11Å; F105-L114 HydrophobicContact CG-CG 4.49Å; F105-R117 HydrophobicContact CE2-CG 4.36Å; F105-R117 HydrophobicContact CZ-CB 4.06Å; F105-R117 HydrophobicContact CZ-CG 4.02Å; F105-F128 HydrophobicContact CE2-CE1 4.33Å; F105-I157 WeakPolarHBondContact O-CA 3.23Å; F105-V158 PolarHBondContact N-O 3.13Å; F105-V158 PolarHBondContact O-N 3.01Å
106I95.3Very high94.5Very high23 Ų2352.1 Ų52.112%0.11826%0.256CS..EExtended strand (participates in β ladder)trans-100.2112.9-179.9-56.7171000108.9D80 L84 R109 Q110D80-I106 HydrophobicContact CB-CD1 4.13Å; D80-I106 HydrophobicContact CB-CG1 4.47Å; L84-I106 HydrophobicContact CD1-CD1 3.98Å; L84-I106 HydrophobicContact CD2-CD1 3.81Å; L84-I106 HydrophobicContact CG-CD1 3.67Å; I106-R109 PolarHBondContact O-N 3.22Å; I106-Q110 WeakPolarHBondContact O-CB 3.4Å; I106-Q110 PolarHBondContact O-N 3.1Å
107L95.6Very high94.8Very high6 Ų648.1 Ų48.13%0.03123%0.234CC..THydrogen-bonded Turntrans-86.1149.8177-61.1-173.9000111.9R111 L114 I150 P151 L156 V158L107-R111 VanDerWaalsContact CD2-CA 3.48Å; L107-R111 HydrophobicContact CD2-CB 3.63Å; L107-R111 HydrophobicContact CD2-CG 4.1Å; L107-L114 HydrophobicContact CD2-CD2 4.14Å; L107-I150 HydrophobicContact CD1-CG2 3.83Å; L107-I150 HydrophobicContact CD2-CG2 4.45Å; L107-P151 HydrophobicContact CD1-CG 4.35Å; L107-L156 HydrophobicContact CB-CB 4.43Å; L107-L156 WeakPolarHBondContact CB-O 3.3Å; L107-L156 HydrophobicContact CD1-CB 4.27Å; L107-L156 PolarHBondContact N-O 2.89Å; L107-V158 HydrophobicContact CD1-CG2 3.51Å; L107-V158 HydrophobicContact CG-CG2 3.85Å
108P95.4Very high94.7Very high66 Ų6646.1 Ų46.143%0.42923%0.225SC..THydrogen-bonded Turncis-80.4-11.3-1.832.2-36.1000114.1Q110 R111 E152P108-Q110 VanDerWaalsContact C-N 3.3Å; P108-Q110 PolarHBondContact O-N 2.97Å; P108-Q110 VanDerWaalsContact O-N 3.14Å; P108-R111 VanDerWaalsContact O-CB 3.31Å; P108-R111 WeakPolarHBondContact O-CB 3.48Å; P108-R111 PolarHBondContact O-N 2.99Å; P108-E152 VanDerWaalsContact CB-O 3.28Å; P108-E152 WeakPolarHBondContact CB-O 3Å
109R95.3Very high94.3Very high175 Ų17552.7 Ų52.766%0.6625%0.253SS*.THydrogen-bonded Turntrans-54.8-38.8-169.7-168.3175.971.8163.64.2114.5L84 I106L84-R109 VanDerWaalsContact CD2-NH2 3.31Å; I106-R109 PolarHBondContact O-N 3.22Å
110Q95.9Very high93.6Very high47 Ų4761.7 Ų61.722%0.2228%0.284CS..THydrogen-bonded Turntrans-106.316.7-176.8-66.9173.6-51.300113.1F105 I106 P108 R112 A113 L114F105-Q110 HydrophobicContact CB-CB 4.23Å; F105-Q110 HydrophobicContact CD1-CB 4.21Å; I106-Q110 WeakPolarHBondContact O-CB 3.4Å; I106-Q110 PolarHBondContact O-N 3.1Å; P108-Q110 VanDerWaalsContact C-N 3.3Å; P108-Q110 PolarHBondContact O-N 2.97Å; P108-Q110 VanDerWaalsContact O-N 3.14Å; Q110-R112 PolarHBondContact O-N 3.3Å; Q110-A113 PolarHBondContact O-N 2.91Å; Q110-L114 PolarHBondContact O-N 3.22Å
111R95.7Very high92.3Very high59 Ų5964 Ų6422%0.22330%0.297CS..Hα-helixtrans-57.1-46.3-178.6-172.9170.3171-104.27.7112.8L107 P108 A113 L114 L115 I150 P151 E152L107-R111 VanDerWaalsContact CD2-CA 3.48Å; L107-R111 HydrophobicContact CD2-CB 3.63Å; L107-R111 HydrophobicContact CD2-CG 4.1Å; P108-R111 VanDerWaalsContact O-CB 3.31Å; P108-R111 WeakPolarHBondContact O-CB 3.48Å; P108-R111 PolarHBondContact O-N 2.99Å; R111-A113 VanDerWaalsContact C-N 3.33Å; R111-A113 PolarHBondContact O-N 2.63Å; R111-L114 WeakPolarHBondContact O-CB 3.3Å; R111-L114 PolarHBondContact O-N 3.5Å; R111-L115 HydrophobicContact CG-CD1 4.07Å; R111-L115 HydrophobicContact CG-CG 4.3Å; R111-L115 WeakPolarHBondContact O-CG 3.28Å; R111-L115 PolarHBondContact O-N 3.22Å; R111-I150 HydrophobicContact CG-CG2 4.28Å; R111-P151 WeakPolarHBondContact CD-O 3.34Å; R111-E152 IonicContact CZ-OE1 3.1Å; R111-E152 IonicContact NH1-OE1 3.76Å; R111-E152 PolarHBondContact NH1-OE1 3.34Å; R111-E152 IonicContact NH2-OE1 2.77Å
112R95.4Very high90.2Very high223 Ų22368.9 Ų68.984%0.84233%0.33SS*.Hα-helixtrans-60.4-42.8-179.3-175.1176.1175.8170.3-1.2111.9Q110 L115 A116Q110-R112 PolarHBondContact O-N 3.3Å; R112-L115 PolarHBondContact O-N 3Å; R112-A116 WeakPolarHBondContact O-CB 3.35Å; R112-A116 PolarHBondContact O-N 3.16Å
113A94.6Very high88.5Confident54 Ų5472.5 Ų72.545%0.44637%0.368SS..Hα-helixtrans-65-43.6177.400000111.7F105 Q110 R111 A116 R117F105-A113 HydrophobicContact CD1-CB 4.35Å; F105-A113 HydrophobicContact CE1-CB 4.14Å; Q110-A113 PolarHBondContact O-N 2.91Å; R111-A113 VanDerWaalsContact C-N 3.33Å; R111-A113 PolarHBondContact O-N 2.63Å; A113-A116 PolarHBondContact O-N 2.81Å; A113-R117 WeakPolarHBondContact O-CB 3.44Å; A113-R117 PolarHBondContact O-N 2.55Å
114L94.5Very high87.2Confident0 Ų074.5 Ų74.50%038%0.381CS..Hα-helixtrans-58.9-49.5174.5170.965.4000111.7F105 L107 Q110 R111 A116 R117 M118 F128 I150 V158F105-L114 HydrophobicContact CB-CB 4.14Å; F105-L114 HydrophobicContact CD1-CB 3.96Å; F105-L114 HydrophobicContact CD2-CB 4.24Å; F105-L114 HydrophobicContact CD2-CD1 3.63Å; F105-L114 HydrophobicContact CD2-CG 4.47Å; F105-L114 HydrophobicContact CE1-CB 4.44Å; F105-L114 HydrophobicContact CE2-CD1 3.95Å; F105-L114 HydrophobicContact CG-CB 3.85Å; F105-L114 HydrophobicContact CG-CD1 4.11Å; F105-L114 HydrophobicContact CG-CG 4.49Å; L107-L114 HydrophobicContact CD2-CD2 4.14Å; Q110-L114 PolarHBondContact O-N 3.22Å; R111-L114 WeakPolarHBondContact O-CB 3.3Å; R111-L114 PolarHBondContact O-N 3.5Å; L114-A116 VanDerWaalsContact C-N 3.32Å; L114-A116 PolarHBondContact O-N 2.88Å; L114-R117 WeakPolarHBondContact O-CB 3.34Å; L114-R117 PolarHBondContact O-N 3.2Å; L114-R117 VanDerWaalsContact O-N 3.1Å; L114-M118 HydrophobicContact CD1-CG 4.1Å; L114-M118 HydrophobicContact CD1-SD 4.05Å; L114-M118 HydrophobicContact CG-CG 4.5Å; L114-M118 HydrophobicContact CG-SD 4.11Å; L114-M118 WeakPolarHBondContact O-CG 3.25Å; L114-M118 PolarHBondContact O-N 3.04Å; L114-F128 HydrophobicContact CD1-CD1 4.09Å; L114-F128 HydrophobicContact CD1-CE1 3.89Å; L114-F128 HydrophobicContact CD1-CZ 4.25Å; L114-I150 HydrophobicContact CD2-CD1 4.17Å; L114-I150 HydrophobicContact CD2-CG1 4.24Å; L114-I150 HydrophobicContact CD2-CG2 3.71Å; L114-V158 HydrophobicContact CD1-CB 4.48Å; L114-V158 HydrophobicContact CD1-CG1 3.96Å; L114-V158 HydrophobicContact CD2-CB 3.77Å; L114-V158 HydrophobicContact CD2-CG1 3.75Å; L114-V158 HydrophobicContact CD2-CG2 3.77Å
115L93.6Very high85.9Confident32 Ų3275.4 Ų75.417%0.16839%0.387CS..Hα-helixtrans-62.8-39.4-179.3-68.4177.7000111.9R111 R112 R117 M118 K119 T147 I150R111-L115 HydrophobicContact CG-CD1 4.07Å; R111-L115 HydrophobicContact CG-CG 4.3Å; R111-L115 WeakPolarHBondContact O-CG 3.28Å; R111-L115 PolarHBondContact O-N 3.22Å; R112-L115 PolarHBondContact O-N 3Å; L115-R117 VanDerWaalsContact C-N 3.34Å; L115-M118 PolarHBondContact O-N 2.87Å; L115-K119 WeakPolarHBondContact O-CB 3.45Å; L115-K119 VanDerWaalsContact O-CG 3.28Å; L115-K119 WeakPolarHBondContact O-CG 3.5Å; L115-K119 PolarHBondContact O-N 3.41Å; L115-T147 HydrophobicContact CD2-CG2 4.13Å; L115-I150 HydrophobicContact CD2-CB 4.34Å; L115-I150 HydrophobicContact CD2-CG1 4.4Å
116A92.8Very high85.5Confident44 Ų4475.9 Ų75.936%0.36440%0.397SS..Hα-helixtrans-62.8-41.9173.200000111.6R112 A113 L114 M118 K119 R120R112-A116 WeakPolarHBondContact O-CB 3.35Å; R112-A116 PolarHBondContact O-N 3.16Å; A113-A116 PolarHBondContact O-N 2.81Å; L114-A116 VanDerWaalsContact C-N 3.32Å; L114-A116 PolarHBondContact O-N 2.88Å; A116-M118 PolarHBondContact O-N 3.06Å; A116-K119 PolarHBondContact O-N 2.89Å; A116-R120 WeakPolarHBondContact O-CG 2.99Å; A116-R120 PolarHBondContact O-N 3.05Å; A116-R120 VanDerWaalsContact O-N 3.09Å
117R92.3Very high85.3Confident69 Ų6975.6 Ų75.626%0.2640%0.396SS..Hα-helixtrans-63.1-39.4176.9175.163.1-174.996.8-6112.8E103 F105 A113 L114 L115 N121E103-R117 IonicContact OE1-NE 3.73Å; E103-R117 IonicContact OE2-NE 3.53Å; E103-R117 PolarHBondContact OE2-NE 3.36Å; E103-R117 IonicContact OE2-NH2 3.38Å; F105-R117 HydrophobicContact CE2-CG 4.36Å; F105-R117 HydrophobicContact CZ-CB 4.06Å; F105-R117 HydrophobicContact CZ-CG 4.02Å; A113-R117 WeakPolarHBondContact O-CB 3.44Å; A113-R117 PolarHBondContact O-N 2.55Å; L114-R117 WeakPolarHBondContact O-CB 3.34Å; L114-R117 PolarHBondContact O-N 3.2Å; L114-R117 VanDerWaalsContact O-N 3.1Å; L115-R117 VanDerWaalsContact C-N 3.34Å; R117-N121 PolarHBondContact NH1-ND2 2.8Å
118M91.3Very high85.3Confident0 Ų075.4 Ų75.40%040%0.395CS..Hα-helixtrans-69.5-40.3176.6-68179.978.700111.6L114 L115 A116 C125 F128 T147 I150L114-M118 HydrophobicContact CD1-CG 4.1Å; L114-M118 HydrophobicContact CD1-SD 4.05Å; L114-M118 HydrophobicContact CG-CG 4.5Å; L114-M118 HydrophobicContact CG-SD 4.11Å; L114-M118 WeakPolarHBondContact O-CG 3.25Å; L114-M118 PolarHBondContact O-N 3.04Å; L115-M118 PolarHBondContact O-N 2.87Å; A116-M118 PolarHBondContact O-N 3.06Å; M118-C125 HydrophobicContact CB-CB 4.41Å; M118-C125 PolarHBondContact O-SG 3.08Å; M118-F128 HydrophobicContact CE-CD2 4.03Å; M118-F128 HydrophobicContact CE-CE2 4.27Å; M118-F128 HydrophobicContact CG-CD2 4.17Å; M118-F128 HydrophobicContact CG-CE2 3.56Å; M118-F128 HydrophobicContact CG-CZ 4Å; M118-F128 HydrophobicContact SD-CD2 4.33Å; M118-F128 HydrophobicContact SD-CE2 4.31Å; M118-T147 HydrophobicContact CB-CG2 3.8Å; M118-T147 HydrophobicContact CE-CG2 4.03Å; M118-T147 HydrophobicContact SD-CG2 4.04Å; M118-I150 HydrophobicContact CE-CG1 4.49Å; M118-I150 HydrophobicContact SD-CD1 4.29Å; M118-I150 HydrophobicContact SD-CG1 3.94Å
119K86.8Confident85.2Confident143 Ų14372.8 Ų72.862%0.62238%0.378SS*.Hα-helixtrans-72.5-30.3-178-74.1179.6180-170.70114.3L115 A116 N121L115-K119 WeakPolarHBondContact O-CB 3.45Å; L115-K119 VanDerWaalsContact O-CG 3.28Å; L115-K119 WeakPolarHBondContact O-CG 3.5Å; L115-K119 PolarHBondContact O-N 3.41Å; A116-K119 PolarHBondContact O-N 2.89Å; K119-N121 PolarHBondContact O-N 3.26Å; K119-N121 VanDerWaalsContact O-N 3.15Å
120R80.3Confident85.2Confident200 Ų20064.7 Ų64.776%0.75535%0.347SS*.THydrogen-bonded Turntrans-58.6-25.8-178.5-87.6-178.4-175.3158.10.9114.1A116 S122A116-R120 WeakPolarHBondContact O-CG 2.99Å; A116-R120 PolarHBondContact O-N 3.05Å; A116-R120 VanDerWaalsContact O-N 3.09Å; R120-S122 PolarHBondContact O-N 3.05Å
121N67.2Low85.1Confident65 Ų6563.1 Ų63.135%0.34834%0.34SS..SBendtrans-96.483.4178.2-68.1-3.3000109.3R117 K119 G123 N124R117-N121 PolarHBondContact NH1-ND2 2.8Å; K119-N121 PolarHBondContact O-N 3.26Å; K119-N121 VanDerWaalsContact O-N 3.15Å; N121-G123 VanDerWaalsContact C-N 3.25Å; N121-G123 PolarHBondContact O-N 2.98Å; N121-N124 WeakPolarHBondContact CB-O 3.34Å; N121-N124 PolarHBondContact ND2-O 3.17Å; N121-N124 VanDerWaalsContact ND2-O 3.14Å; N121-N124 PolarHBondContact O-N 3.46Å
122S53.5Low84.7Confident127 Ų12761.5 Ų61.589%0.88834%0.337SS*.THydrogen-bonded Turntrans-59.276.8178.5-56.10000112.7R120R120-S122 PolarHBondContact O-N 3.05Å
123G58.5Low84Confident80 Ų8052.1 Ų52.183%0.82531%0.305SS*.THydrogen-bonded Turntrans133.1-24.1177.100000114.8N121N121-G123 VanDerWaalsContact C-N 3.25Å; N121-G123 PolarHBondContact O-N 2.98Å
124N66.8Low83.2Confident121 Ų12154.1 Ų54.165%0.64732%0.316SS*.  trans-140.378178.8-167.8-4.5000111.1N121 G126N121-N124 WeakPolarHBondContact CB-O 3.34Å; N121-N124 PolarHBondContact ND2-O 3.17Å; N121-N124 VanDerWaalsContact ND2-O 3.14Å; N121-N124 PolarHBondContact O-N 3.46Å; N124-G126 PolarHBondContact O-N 3.07Å; N124-G126 PolarHBondContact OD1-N 3.41Å
125C68.2Low82.3Confident33 Ų3356.3 Ų56.322%0.22333%0.331CS..  trans-56.1-14.1179.1-64.60000113.4M118 F128M118-C125 HydrophobicContact CB-CB 4.41Å; M118-C125 PolarHBondContact O-SG 3.08Å; C125-F128 VanDerWaalsContact O-CE2 3.26Å; C125-F128 WeakPolarHBondContact O-CE2 3.42Å
126G85.8Confident81.2Confident26 Ų2658.1 Ų58.127%0.26835%0.346SS..  trans73.5158.7-16600000111N124N124-G126 PolarHBondContact O-N 3.07Å; N124-G126 PolarHBondContact OD1-N 3.41Å
127V92.4Very high80.3Confident18 Ų1864.2 Ų64.211%0.10936%0.36CS..  trans-89.1136.1176-176.40000108.8L143 Y161 T163 L211V127-L143 HydrophobicContact CG1-CB 4.28Å; V127-L143 HydrophobicContact CG1-CD2 3.76Å; V127-Y161 HydrophobicContact CB-CD1 4.16Å; V127-Y161 HydrophobicContact CG1-CD1 3.91Å; V127-Y161 HydrophobicContact CG1-CG 4.14Å; V127-Y161 VanDerWaalsContact O-CB 3.25Å; V127-Y161 WeakPolarHBondContact O-CB 2.99Å; V127-Y161 PolarHBondContact O-N 3.37Å; V127-T163 HydrophobicContact CB-CG2 4.14Å; V127-T163 HydrophobicContact CG2-CG2 4.13Å; V127-L211 HydrophobicContact CG1-CD1 4.26Å; V127-L211 HydrophobicContact CG1-CD2 3.77Å; V127-L211 HydrophobicContact CG2-CD1 4.4Å; V127-L211 HydrophobicContact CG2-CD2 4.32Å
128F94.7Very high79.3Confident2 Ų261.2 Ų61.21%0.00935%0.35CS..EExtended strand (participates in β ladder)trans-117.9146.7174.2-67.4-92.3000110.5F105 L114 M118 C125 L143 T144 V158 Q159 R160F105-F128 HydrophobicContact CE2-CE1 4.33Å; L114-F128 HydrophobicContact CD1-CD1 4.09Å; L114-F128 HydrophobicContact CD1-CE1 3.89Å; L114-F128 HydrophobicContact CD1-CZ 4.25Å; M118-F128 HydrophobicContact CE-CD2 4.03Å; M118-F128 HydrophobicContact CE-CE2 4.27Å; M118-F128 HydrophobicContact CG-CD2 4.17Å; M118-F128 HydrophobicContact CG-CE2 3.56Å; M118-F128 HydrophobicContact CG-CZ 4Å; M118-F128 HydrophobicContact SD-CD2 4.33Å; M118-F128 HydrophobicContact SD-CE2 4.31Å; C125-F128 VanDerWaalsContact O-CE2 3.26Å; C125-F128 WeakPolarHBondContact O-CE2 3.42Å; F128-L143 CarbonylContact O-C 3.53Å; F128-L143 VanDerWaalsContact O-CA 3.31Å; F128-L143 WeakPolarHBondContact O-CA 3.44Å; F128-T144 PolarHBondContact N-O 3.2Å; F128-T144 PolarHBondContact O-N 2.84Å; F128-V158 HydrophobicContact CB-CG1 3.71Å; F128-V158 HydrophobicContact CD1-CG1 3.93Å; F128-V158 HydrophobicContact CG-CG1 4.07Å; F128-Q159 CarbonylContact C-O 3.48Å; F128-Q159 VanDerWaalsContact CA-O 3.31Å; F128-Q159 WeakPolarHBondContact CA-O 3.46Å; F128-R160 HydrophobicContact CE1-CB 4.49Å
129I94.7Very high78.5Confident11 Ų1168.4 Ų68.46%0.05638%0.382CS..EExtended strand (participates in β ladder)trans-107.7121.3173.9-171.4166.3000109.3K131 I141 L143 Q159 Y161 L218I129-K131 HydrophobicContact CG1-CG 4.14Å; I129-I141 HydrophobicContact CD1-CG2 3.6Å; I129-I141 HydrophobicContact CG1-CG2 3.56Å; I129-L143 HydrophobicContact CB-CD2 4.04Å; I129-L143 HydrophobicContact CD1-CD2 4.47Å; I129-L143 HydrophobicContact CG1-CD2 4.33Å; I129-Q159 HydrophobicContact CG2-CB 3.88Å; I129-Q159 HydrophobicContact CG2-CG 4.4Å; I129-Q159 WeakPolarHBondContact CG2-O 3.45Å; I129-Q159 PolarHBondContact N-O 2.77Å; I129-Q159 PolarHBondContact O-N 3.22Å; I129-Y161 HydrophobicContact CB-CD2 4.24Å; I129-Y161 HydrophobicContact CD1-CD2 4.3Å; I129-L218 HydrophobicContact CD1-CD2 4.27Å
130L95Very high78.4Confident5 Ų564.2 Ų64.23%0.02638%0.379CS..EExtended strand (participates in β ladder)trans-91.3126.4175.4-67.983.9000108.3I141 R142 T144 I150 L156 I157 V158L130-I141 VanDerWaalsContact O-CA 3.28Å; L130-I141 WeakPolarHBondContact O-CA 3.15Å; L130-R142 PolarHBondContact N-O 3.01Å; L130-R142 PolarHBondContact O-N 3.03Å; L130-R142 VanDerWaalsContact O-N 3.13Å; L130-T144 HydrophobicContact CD1-CG2 3.51Å; L130-I150 HydrophobicContact CD1-CD1 4.35Å; L130-I150 HydrophobicContact CD2-CD1 4.25Å; L130-L156 HydrophobicContact CD2-CD1 3.97Å; L130-I157 CarbonylContact C-O 3.58Å; L130-I157 WeakPolarHBondContact CA-O 3.32Å; L130-V158 HydrophobicContact CD2-CG2 4.48Å; L130-V158 HydrophobicContact CG-CG1 4.49Å; L130-V158 HydrophobicContact CG-CG2 4.12Å
131K92.6Very high78.8Confident13 Ų1355.6 Ų55.66%0.05735%0.348CS..EExtended strand (participates in β ladder)trans-130.9138.5-178.3-58.8175.2179.5172.20109.7K79 I129 I141 I157K79-K131 HydrophobicContact CD-CD 4.43Å; I129-K131 HydrophobicContact CG1-CG 4.14Å; K131-I141 HydrophobicContact CG-CD1 4.29Å; K131-I141 HydrophobicContact CG-CG1 4.25Å; K131-I157 PolarHBondContact N-O 2.91Å; K131-I157 PolarHBondContact O-N 3.39Å
132P88.8Confident80Confident26 Ų2659.6 Ų59.617%0.16936%0.358CS..  trans-66.7148.9166.528.8-36.8000111.2S134 L156P132-S134 VanDerWaalsContact C-N 3.34Å; P132-S134 PolarHBondContact O-N 2.97Å; P132-L156 HydrophobicContact CB-CD2 4.48Å
133P80.7Confident81.9Confident26 Ų2654.6 Ų54.617%0.16932%0.321CS..THydrogen-bonded Turntrans-64.7-33.9-174.8-21.732.2000114.5P155 I157P133-P155 WeakPolarHBondContact CD-O 3.27Å; P133-I157 HydrophobicContact CB-CD1 4.32Å
134S76.5Confident83.4Confident96 Ų9651.1 Ų51.167%0.67128%0.284SS*.THydrogen-bonded Turntrans-133.628.4-170.959.90000113.9P132P132-S134 VanDerWaalsContact C-N 3.34Å; P132-S134 PolarHBondContact O-N 2.97Å
135S76.8Confident84.5Confident45 Ų4546.9 Ų46.932%0.31526%0.261SS..  trans-97.1160.8171.1-159.30000111.5K139S135-K139 PolarHBondContact OG-O 3.15Å
136S69.5Low85.6Confident70 Ų7049.4 Ų49.449%0.4927%0.268SS..  trans-128.8173.7174.561.40000110.5G138S136-G138 VanDerWaalsContact C-N 3.27Å; S136-G138 PolarHBondContact O-N 3.23Å
137R73.5Confident85.8Confident173 Ų17350 Ų5065%0.65327%0.267SS*.THydrogen-bonded Turntrans63.924.6175.1-51-179.5-171.4179.23.4115K139 S222R137-K139 PolarHBondContact O-N 2.92Å; R137-K139 VanDerWaalsContact O-N 3.16Å; R137-S222 WeakPolarHBondContact CB-OG 3.44Å
138G71.4Confident85.7Confident6 Ų657.8 Ų57.86%0.06230%0.295CS..THydrogen-bonded Turntrans70.43.5178.400000116.2S136 G140 I141S136-G138 VanDerWaalsContact C-N 3.27Å; S136-G138 PolarHBondContact O-N 3.23Å; G138-G140 PolarHBondContact O-N 2.75Å; G138-I141 WeakPolarHBondContact O-CB 3.27Å; G138-I141 WeakPolarHBondContact O-CG1 3.1Å; G138-I141 PolarHBondContact O-N 2.95Å
139K74.9Confident85.5Confident150 Ų15061.6 Ų61.665%0.65232%0.315SS*.THydrogen-bonded Turntrans-64.8125.1179.8-70.8-170.4175.8-170.50111.6S135 R137 I141S135-K139 PolarHBondContact OG-O 3.15Å; R137-K139 PolarHBondContact O-N 2.92Å; R137-K139 VanDerWaalsContact O-N 3.16Å; K139-I141 VanDerWaalsContact C-N 3.34Å
140G84.1Confident85.4Confident55 Ų5561.3 Ų61.357%0.56731%0.314SS*.THydrogen-bonded Turntrans82.47.9178.300000114.6G138G138-G140 PolarHBondContact O-N 2.75Å
141I89.3Confident85.3Confident20 Ų2062.7 Ų62.710%0.10332%0.323CS..  trans-79.3132.3175.3-60.6-173.3000110I129 L130 K131 G138 K139 Q214 L218I129-I141 HydrophobicContact CD1-CG2 3.6Å; I129-I141 HydrophobicContact CG1-CG2 3.56Å; L130-I141 VanDerWaalsContact O-CA 3.28Å; L130-I141 WeakPolarHBondContact O-CA 3.15Å; K131-I141 HydrophobicContact CG-CD1 4.29Å; K131-I141 HydrophobicContact CG-CG1 4.25Å; G138-I141 WeakPolarHBondContact O-CB 3.27Å; G138-I141 WeakPolarHBondContact O-CG1 3.1Å; G138-I141 PolarHBondContact O-N 2.95Å; K139-I141 VanDerWaalsContact C-N 3.34Å; I141-Q214 PolarHBondContact O-NE2 3.2Å; I141-L218 HydrophobicContact CB-CD1 4.26Å; I141-L218 HydrophobicContact CG2-CD1 4.28Å; I141-L218 HydrophobicContact CG2-CD2 3.87Å
142R91.6Very high85.3Confident148 Ų14867.1 Ų67.156%0.55834%0.344SS*.EExtended strand (participates in β ladder)trans-141.3147176.4-66.7-173.2-69.5-148.27.1110.9L130L130-R142 PolarHBondContact N-O 3.01Å; L130-R142 PolarHBondContact O-N 3.03Å; L130-R142 VanDerWaalsContact O-N 3.13Å
143L93.4Very high85.5Confident23 Ų2373.3 Ų73.312%0.1237%0.37CS..EExtended strand (participates in β ladder)trans-99.9145.7173.3-68.8139.9000109.9V127 F128 I129 Y161 L211 H217V127-L143 HydrophobicContact CG1-CB 4.28Å; V127-L143 HydrophobicContact CG1-CD2 3.76Å; F128-L143 CarbonylContact O-C 3.53Å; F128-L143 VanDerWaalsContact O-CA 3.31Å; F128-L143 WeakPolarHBondContact O-CA 3.44Å; I129-L143 HydrophobicContact CB-CD2 4.04Å; I129-L143 HydrophobicContact CD1-CD2 4.47Å; I129-L143 HydrophobicContact CG1-CD2 4.33Å; L143-Y161 HydrophobicContact CD2-CD1 3.87Å; L143-Y161 HydrophobicContact CD2-CD2 3.33Å; L143-Y161 HydrophobicContact CD2-CE1 4.15Å; L143-Y161 HydrophobicContact CD2-CE2 3.63Å; L143-Y161 HydrophobicContact CD2-CG 3.44Å; L143-Y161 VanDerWaalsContact CD2-CG 3.44Å; L143-L211 HydrophobicContact CB-CB 4.09Å; L143-L211 HydrophobicContact CB-CD2 4.08Å; L143-H217 HydrophobicContact CD1-CB 3.5Å
144T91.7Very high86Confident6 Ų677.6 Ų77.64%0.03739%0.386CS..EExtended strand (participates in β ladder)trans-155.5149.6171.3-161.90000112.4F128 L130 K146 N149 I150F128-T144 PolarHBondContact N-O 3.2Å; F128-T144 PolarHBondContact O-N 2.84Å; L130-T144 HydrophobicContact CD1-CG2 3.51Å; T144-K146 PolarHBondContact OG1-N 2.75Å; T144-K146 VanDerWaalsContact OG1-N 3.14Å; T144-N149 HydrophobicContact CG2-CB 4.08Å; T144-N149 WeakPolarHBondContact OG1-CB 3.5Å; T144-N149 PolarHBondContact OG1-ND2 2.84Å; T144-I150 HydrophobicContact CG2-CD1 3.96Å
145N89.7Confident86.7Confident33 Ų3377 Ų7718%0.17638%0.38CS..SBendtrans-112.37.6166.364.2-7.9000112V208N145-V208 WeakPolarHBondContact ND2-CG1 3.42Å
146K89.5Confident87.6Confident85 Ų8575.2 Ų75.237%0.3737%0.367SS..  trans-112.2135.4-174.1-56-53.5-167.4175.10111.8T144 W148 N149T144-K146 PolarHBondContact OG1-N 2.75Å; T144-K146 VanDerWaalsContact OG1-N 3.14Å; K146-W148 HydrophobicContact CB-CD2 3.75Å; K146-W148 VanDerWaalsContact CB-CE2 3.45Å; K146-W148 HydrophobicContact CB-CE3 4.12Å; K146-W148 HydrophobicContact CB-CG 4.35Å; K146-W148 HydrophobicContact CB-CH2 4.05Å; K146-W148 HydrophobicContact CB-CZ2 3.63Å; K146-W148 HydrophobicContact CB-CZ3 4.25Å; K146-W148 HydrophobicContact CD-CH2 3.45Å; K146-W148 VanDerWaalsContact CD-CH2 3.45Å; K146-W148 HydrophobicContact CD-CZ2 3.53Å; K146-W148 HydrophobicContact CD-CZ3 4.14Å; K146-W148 HydrophobicContact CG-CD2 4.45Å; K146-W148 HydrophobicContact CG-CH2 3.83Å; K146-W148 HydrophobicContact CG-CZ2 3.37Å; K146-W148 HydrophobicContact CG-CZ3 4.49Å; K146-W148 PolarHBondContact O-N 3.05Å; K146-N149 PolarHBondContact O-N 3.04Å
147T90.6Very high88.8Confident38 Ų3872 Ų7223%0.23334%0.344CS..G310 helixtrans-68-33.3-177.849.20000113.2L115 M118 N149 I150L115-T147 HydrophobicContact CD2-CG2 4.13Å; M118-T147 HydrophobicContact CB-CG2 3.8Å; M118-T147 HydrophobicContact CE-CG2 4.03Å; M118-T147 HydrophobicContact SD-CG2 4.04Å; T147-N149 PolarHBondContact O-N 2.73Å; T147-I150 VanDerWaalsContact O-CB 3.32Å; T147-I150 WeakPolarHBondContact O-CB 3.21Å; T147-I150 WeakPolarHBondContact O-CG1 3.33Å; T147-I150 PolarHBondContact O-N 3.07Å; T147-I150 VanDerWaalsContact O-N 3.12Å
148W89.9Confident89.8Confident183 Ų18363.8 Ų63.869%0.69331%0.313SS*.G310 helixtrans-69-17.9179.455.485.3000113.8K146 I150K146-W148 HydrophobicContact CB-CD2 3.75Å; K146-W148 VanDerWaalsContact CB-CE2 3.45Å; K146-W148 HydrophobicContact CB-CE3 4.12Å; K146-W148 HydrophobicContact CB-CG 4.35Å; K146-W148 HydrophobicContact CB-CH2 4.05Å; K146-W148 HydrophobicContact CB-CZ2 3.63Å; K146-W148 HydrophobicContact CB-CZ3 4.25Å; K146-W148 HydrophobicContact CD-CH2 3.45Å; K146-W148 VanDerWaalsContact CD-CH2 3.45Å; K146-W148 HydrophobicContact CD-CZ2 3.53Å; K146-W148 HydrophobicContact CD-CZ3 4.14Å; K146-W148 HydrophobicContact CG-CD2 4.45Å; K146-W148 HydrophobicContact CG-CH2 3.83Å; K146-W148 HydrophobicContact CG-CZ2 3.37Å; K146-W148 HydrophobicContact CG-CZ3 4.49Å; K146-W148 PolarHBondContact O-N 3.05Å; W148-I150 PolarHBondContact O-N 2.79Å
149N91.4Very high91Very high82 Ų8264.3 Ų64.344%0.43931%0.314SS..G310 helixtrans-79.5-3.9173.8-72-18.2000113.1T144 K146 T147 P151T144-N149 HydrophobicContact CG2-CB 4.08Å; T144-N149 WeakPolarHBondContact OG1-CB 3.5Å; T144-N149 PolarHBondContact OG1-ND2 2.84Å; K146-N149 PolarHBondContact O-N 3.04Å; T147-N149 PolarHBondContact O-N 2.73Å; N149-P151 VanDerWaalsContact O-CD 3.32Å; N149-P151 WeakPolarHBondContact O-CD 3.42Å
150I93.3Very high91.9Very high5 Ų560.2 Ų60.23%0.02629%0.294CS..SBendtrans-87.3108.4179.4-55-53.4000109.7L107 R111 L114 L115 M118 L130 T144 T147 W148 V158L107-I150 HydrophobicContact CD1-CG2 3.83Å; L107-I150 HydrophobicContact CD2-CG2 4.45Å; R111-I150 HydrophobicContact CG-CG2 4.28Å; L114-I150 HydrophobicContact CD2-CD1 4.17Å; L114-I150 HydrophobicContact CD2-CG1 4.24Å; L114-I150 HydrophobicContact CD2-CG2 3.71Å; L115-I150 HydrophobicContact CD2-CB 4.34Å; L115-I150 HydrophobicContact CD2-CG1 4.4Å; M118-I150 HydrophobicContact CE-CG1 4.49Å; M118-I150 HydrophobicContact SD-CD1 4.29Å; M118-I150 HydrophobicContact SD-CG1 3.94Å; L130-I150 HydrophobicContact CD1-CD1 4.35Å; L130-I150 HydrophobicContact CD2-CD1 4.25Å; T144-I150 HydrophobicContact CG2-CD1 3.96Å; T147-I150 VanDerWaalsContact O-CB 3.32Å; T147-I150 WeakPolarHBondContact O-CB 3.21Å; T147-I150 WeakPolarHBondContact O-CG1 3.33Å; T147-I150 PolarHBondContact O-N 3.07Å; T147-I150 VanDerWaalsContact O-N 3.12Å; W148-I150 PolarHBondContact O-N 2.79Å; I150-V158 HydrophobicContact CD1-CG1 4.42Å
151P93.1Very high92.4Very high34 Ų3458.2 Ų58.222%0.22127%0.27CS..  trans-67.8151.4-175.728.9-34.3000111.7L107 R111 N149 K154 L156L107-P151 HydrophobicContact CD1-CG 4.35Å; R111-P151 WeakPolarHBondContact CD-O 3.34Å; N149-P151 VanDerWaalsContact O-CD 3.32Å; N149-P151 WeakPolarHBondContact O-CD 3.42Å; P151-K154 HydrophobicContact CB-CB 3.76Å; P151-K154 HydrophobicContact CG-CB 3.8Å; P151-L156 HydrophobicContact CG-CD1 3.56Å
152E91.9Very high92.7Very high106 Ų10657.4 Ų57.450%0.49527%0.266SS..SBendtrans-81.6-45.8-173.9-167.1144.9-134.900113.6P108 R111P108-E152 VanDerWaalsContact CB-O 3.28Å; P108-E152 WeakPolarHBondContact CB-O 3Å; R111-E152 IonicContact CZ-OE1 3.1Å; R111-E152 IonicContact NH1-OE1 3.76Å; R111-E152 PolarHBondContact NH1-OE1 3.34Å; R111-E152 IonicContact NH2-OE1 2.77Å
153H92.2Very high92.8Very high155 Ų15553.2 Ų53.272%0.71826%0.257SS*.SBendtrans-114.2-5.1-173.4-55.7-63.2000114
154K91.6Very high93Very high116 Ų11654.7 Ų54.750%0.50427%0.265SS..  trans-77.7126.1-175.1-165.3172.3-178.1169.20110.9P151 L156P151-K154 HydrophobicContact CB-CB 3.76Å; P151-K154 HydrophobicContact CG-CB 3.8Å; K154-L156 HydrophobicContact CB-CG 4.47Å; K154-L156 HydrophobicContact CD-CD1 4.23Å; K154-L156 HydrophobicContact CD-CG 4.35Å; K154-L156 HydrophobicContact CG-CD1 4.37Å; K154-L156 HydrophobicContact CG-CG 4.09Å; K154-L156 PolarHBondContact O-N 2.9Å; K154-L156 VanDerWaalsContact O-N 3.11Å
155P92.3Very high93.2Very high83 Ų8354.8 Ų54.854%0.53927%0.265SS..  trans-71108.9177.128.5-33.4000109.9P133P133-P155 WeakPolarHBondContact CD-O 3.27Å
156L93.9Very high93.6Very high9 Ų954.8 Ų54.85%0.04726%0.264CS..  trans-142.4163.5-178.8-67.5178.1000110.1L107 L130 P132 P151 K154L107-L156 HydrophobicContact CB-CB 4.43Å; L107-L156 WeakPolarHBondContact CB-O 3.3Å; L107-L156 HydrophobicContact CD1-CB 4.27Å; L107-L156 PolarHBondContact N-O 2.89Å; L130-L156 HydrophobicContact CD2-CD1 3.97Å; P132-L156 HydrophobicContact CB-CD2 4.48Å; P151-L156 HydrophobicContact CG-CD1 3.56Å; K154-L156 HydrophobicContact CB-CG 4.47Å; K154-L156 HydrophobicContact CD-CD1 4.23Å; K154-L156 HydrophobicContact CD-CG 4.35Å; K154-L156 HydrophobicContact CG-CD1 4.37Å; K154-L156 HydrophobicContact CG-CG 4.09Å; K154-L156 PolarHBondContact O-N 2.9Å; K154-L156 VanDerWaalsContact O-N 3.11Å
157I94.6Very high94Very high3 Ų353.6 Ų53.62%0.01526%0.261CS..EExtended strand (participates in β ladder)trans-108.9125168.1-61.7175.1000106.7K79 D80 T104 F105 L130 K131 P133K79-I157 HydrophobicContact CB-CD1 3.19Å; K79-I157 HydrophobicContact CD-CD1 4.32Å; K79-I157 HydrophobicContact CG-CD1 4.39Å; D80-I157 HydrophobicContact CB-CD1 3.91Å; D80-I157 HydrophobicContact CB-CG1 4.4Å; D80-I157 VanDerWaalsContact N-CD1 3.28Å; T104-I157 HydrophobicContact CG2-CG2 3.28Å; F105-I157 WeakPolarHBondContact O-CA 3.23Å; L130-I157 CarbonylContact C-O 3.58Å; L130-I157 WeakPolarHBondContact CA-O 3.32Å; K131-I157 PolarHBondContact N-O 2.91Å; K131-I157 PolarHBondContact O-N 3.39Å; P133-I157 HydrophobicContact CB-CD1 4.32Å
158V95.7Very high94.2Very high0 Ų051.9 Ų51.90%025%0.25CS..EExtended strand (participates in β ladder)trans-110.7116.9174.8-172.50000107.5T104 F105 L107 L114 F128 L130 I150T104-V158 CarbonylContact C-O 3.53Å; T104-V158 WeakPolarHBondContact CA-O 3.37Å; F105-V158 PolarHBondContact N-O 3.13Å; F105-V158 PolarHBondContact O-N 3.01Å; L107-V158 HydrophobicContact CD1-CG2 3.51Å; L107-V158 HydrophobicContact CG-CG2 3.85Å; L114-V158 HydrophobicContact CD1-CB 4.48Å; L114-V158 HydrophobicContact CD1-CG1 3.96Å; L114-V158 HydrophobicContact CD2-CB 3.77Å; L114-V158 HydrophobicContact CD2-CG1 3.75Å; L114-V158 HydrophobicContact CD2-CG2 3.77Å; F128-V158 HydrophobicContact CB-CG1 3.71Å; F128-V158 HydrophobicContact CD1-CG1 3.93Å; F128-V158 HydrophobicContact CG-CG1 4.07Å; L130-V158 HydrophobicContact CD2-CG2 4.48Å; L130-V158 HydrophobicContact CG-CG1 4.49Å; L130-V158 HydrophobicContact CG-CG2 4.12Å; I150-V158 HydrophobicContact CD1-CG1 4.42Å
159Q95.6Very high94.3Very high16 Ų1648.3 Ų48.38%0.07525%0.245CC..EExtended strand (participates in β ladder)trans-119.9144.2-174.8177.9174.272.700109.7P102 E103 T104 F128 I129 Y161P102-Q159 HydrophobicContact CB-CG 3.67Å; P102-Q159 HydrophobicContact CG-CG 4.21Å; E103-Q159 CarbonylContact O-C 3.56Å; E103-Q159 WeakPolarHBondContact O-CA 3.33Å; T104-Q159 HydrophobicContact CG2-CB 4.41Å; T104-Q159 WeakPolarHBondContact OG1-CG 3.41Å; T104-Q159 PolarHBondContact OG1-NE2 2.72Å; F128-Q159 CarbonylContact C-O 3.48Å; F128-Q159 VanDerWaalsContact CA-O 3.31Å; F128-Q159 WeakPolarHBondContact CA-O 3.46Å; I129-Q159 HydrophobicContact CG2-CB 3.88Å; I129-Q159 HydrophobicContact CG2-CG 4.4Å; I129-Q159 WeakPolarHBondContact CG2-O 3.45Å; I129-Q159 PolarHBondContact N-O 2.77Å; I129-Q159 PolarHBondContact O-N 3.22Å; Q159-Y161 PolarHBondContact O-N 2.96Å
160R94.8Very high94.5Very high65 Ų6545.7 Ų45.725%0.24524%0.237CC..EExtended strand (participates in β ladder)trans-58.8125.3171.4-177.7-175.968.283-3.2108.7P102 E103 F128P102-R160 HydrophobicContact CB-CB 4.47Å; P102-R160 WeakPolarHBondContact CB-O 3.41Å; E103-R160 HydrophobicContact CB-CB 4.2Å; E103-R160 PolarHBondContact O-N 3.5Å; F128-R160 HydrophobicContact CE1-CB 4.49Å
161Y95.5Very high94.5Very high12 Ų1246 Ų465%0.04724%0.239CC..  trans-77.5138.6175.3-175.1-111.7000110.1V127 I129 L143 Q159 T163 K172 H217V127-Y161 HydrophobicContact CB-CD1 4.16Å; V127-Y161 HydrophobicContact CG1-CD1 3.91Å; V127-Y161 HydrophobicContact CG1-CG 4.14Å; V127-Y161 VanDerWaalsContact O-CB 3.25Å; V127-Y161 WeakPolarHBondContact O-CB 2.99Å; V127-Y161 PolarHBondContact O-N 3.37Å; I129-Y161 HydrophobicContact CB-CD2 4.24Å; I129-Y161 HydrophobicContact CD1-CD2 4.3Å; L143-Y161 HydrophobicContact CD2-CD1 3.87Å; L143-Y161 HydrophobicContact CD2-CD2 3.33Å; L143-Y161 HydrophobicContact CD2-CE1 4.15Å; L143-Y161 HydrophobicContact CD2-CE2 3.63Å; L143-Y161 HydrophobicContact CD2-CG 3.44Å; L143-Y161 VanDerWaalsContact CD2-CG 3.44Å; Q159-Y161 PolarHBondContact O-N 2.96Å; Y161-T163 HydrophobicContact CD1-CG2 3.81Å; Y161-T163 HydrophobicContact CE1-CG2 4.4Å; Y161-T163 PolarHBondContact O-N 3.37Å; Y161-K172 PolarHBondContact OH-NZ 2.93Å; Y161-H217 PolarHBondContact OH-ND1 2.9Å; Y161-H217 VanDerWaalsContact OH-ND1 3.17Å
162I95.1Very high94.7Very high4 Ų445 Ų452%0.02123%0.231CC..  trans-85.3106.7174.5-65.7162.9000107P102 L303 D305 W311 I313P102-I162 HydrophobicContact CG-CD1 3.93Å; P102-I162 HydrophobicContact CG-CG1 4.4Å; I162-L303 HydrophobicContact CB-CD2 3.81Å; I162-L303 HydrophobicContact CD1-CD2 3.78Å; I162-L303 HydrophobicContact CG1-CD2 4.39Å; I162-L303 HydrophobicContact CG2-CD2 3.99Å; I162-D305 HydrophobicContact CG2-CB 4.21Å; I162-W311 HydrophobicContact CD1-CB 3.51Å; I162-W311 HydrophobicContact CD1-CD2 3.82Å; I162-W311 HydrophobicContact CD1-CE3 4.5Å; I162-W311 HydrophobicContact CD1-CG 3.35Å; I162-W311 HydrophobicContact CG1-CG 4.45Å; I162-I313 HydrophobicContact CD1-CD1 4.08Å
163T94.1Very high94.9Very high60 Ų6040 Ų4037%0.36821%0.207SC..SBendtrans-87.1-13.4-173.5480000113.7V127 Y161 P165 Y204V127-T163 HydrophobicContact CB-CG2 4.14Å; V127-T163 HydrophobicContact CG2-CG2 4.13Å; Y161-T163 HydrophobicContact CD1-CG2 3.81Å; Y161-T163 HydrophobicContact CE1-CG2 4.4Å; Y161-T163 PolarHBondContact O-N 3.37Å; T163-P165 WeakPolarHBondContact O-CD 3.28Å; T163-Y204 WeakPolarHBondContact CA-OH 3.07Å; T163-Y204 WeakPolarHBondContact O-CE1 3.34Å; T163-Y204 PolarHBondContact O-OH 3Å
164N95.7Very high95.2Very high54 Ų5433 Ų3329%0.28918%0.175SC..SBendtrans-118.657-179.662.8-42.9000111.5D305 S306N164-D305 CarbonylContact O-C 3.51Å; N164-D305 VanDerWaalsContact O-CA 3.3Å; N164-D305 WeakPolarHBondContact O-CA 3.05Å; N164-D305 WeakPolarHBondContact O-CB 3.41Å; N164-S306 PolarHBondContact ND2-OG 2.95Å; N164-S306 PolarHBondContact O-N 3.25Å
165P97.6Very high95.5Very high7 Ų727.4 Ų27.45%0.04515%0.151CC..BIsolated β-bridgetrans-62149174.530.1-34.8000110.5T163 L167 K172 Y204 L303T163-P165 WeakPolarHBondContact O-CD 3.28Å; P165-L167 HydrophobicContact CB-CD2 4.47Å; P165-L167 HydrophobicContact CG-CD2 3.9Å; P165-L167 PolarHBondContact O-N 2.89Å; P165-K172 HydrophobicContact CB-CG 4.15Å; P165-K172 HydrophobicContact CG-CD 4.34Å; P165-K172 HydrophobicContact CG-CG 4.15Å; P165-Y204 VanDerWaalsContact CD-CZ 3.47Å; P165-Y204 HydrophobicContact CG-CD1 4.04Å; P165-Y204 HydrophobicContact CG-CD2 4.02Å; P165-Y204 HydrophobicContact CG-CE1 3.78Å; P165-Y204 HydrophobicContact CG-CE2 3.75Å; P165-Y204 HydrophobicContact CG-CG 4.14Å; P165-L303 HydrophobicContact CB-CD1 4.3Å
166F97.4Very high95.7Very high34 Ų3424.7 Ų24.715%0.14913%0.13CC..  trans-63.3135.3163.3-173.9-107.5000108.4I168 F173 L251 I256 I304 D305 L308F166-I168 HydrophobicContact CD1-CG1 4.46Å; F166-I168 HydrophobicContact CE1-CG1 4.09Å; F166-F173 HydrophobicContact CB-CE1 4.48Å; F166-F173 AromaticContact CD1-CE1 3.69Å; F166-F173 HydrophobicContact CD1-CE1 3.69Å; F166-F173 AromaticContact CD1-CZ 3.73Å; F166-F173 HydrophobicContact CD1-CZ 3.73Å; F166-F173 HydrophobicContact CE1-CE1 4.48Å; F166-F173 VanDerWaalsContact O-CE1 3.27Å; F166-F173 WeakPolarHBondContact O-CE1 3.19Å; F166-L251 HydrophobicContact CE1-CD2 3.67Å; F166-L251 HydrophobicContact CZ-CD2 3.85Å; F166-I256 HydrophobicContact CE2-CD1 4.12Å; F166-I256 HydrophobicContact CZ-CD1 3.83Å; F166-I304 HydrophobicContact CB-CB 4.33Å; F166-I304 HydrophobicContact CB-CG2 3.97Å; F166-I304 PolarHBondContact N-O 2.72Å; F166-D305 WeakPolarHBondContact CB-O 3.48Å; F166-L308 HydrophobicContact CD2-CD2 3.91Å; F166-L308 HydrophobicContact CE2-CD2 4.02Å; F166-L308 HydrophobicContact CG-CD2 4.24Å; F166-L308 HydrophobicContact CZ-CD2 4.43Å
167L97.1Very high95.9Very high60 Ų6024.4 Ų24.431%0.31413%0.128SC..EExtended strand (participates in β ladder)trans-115.3139.6-175.4-58.6179.4000109.8P165 F171 K172 Y204P165-L167 HydrophobicContact CB-CD2 4.47Å; P165-L167 HydrophobicContact CG-CD2 3.9Å; P165-L167 PolarHBondContact O-N 2.89Å; L167-F171 WeakPolarHBondContact CA-O 3.45Å; L167-K172 HydrophobicContact CD2-CB 4.32Å; L167-Y204 HydrophobicContact CD1-CD1 4.1Å; L167-Y204 HydrophobicContact CD1-CG 4.46Å; L167-Y204 VanDerWaalsContact CD2-CB 3.48Å; L167-Y204 HydrophobicContact CD2-CD1 4.02Å; L167-Y204 HydrophobicContact CD2-CG 3.79Å
168I95.8Very high96.1Very high2 Ų224.3 Ų24.31%0.0113%0.128CC..EExtended strand (participates in β ladder)trans-111.8119169.3-68.1172.4000106.1F166 G170 F171 F173 F199 W242 F247 Y250F166-I168 HydrophobicContact CD1-CG1 4.46Å; F166-I168 HydrophobicContact CE1-CG1 4.09Å; I168-G170 PolarHBondContact O-N 2.87Å; I168-F171 PolarHBondContact N-O 3.26Å; I168-F171 PolarHBondContact O-N 2.79Å; I168-F173 HydrophobicContact CB-CD1 4.45Å; I168-F173 HydrophobicContact CB-CE1 4.5Å; I168-F173 HydrophobicContact CD1-CD1 3.93Å; I168-F173 HydrophobicContact CD1-CE1 3.64Å; I168-F173 HydrophobicContact CD1-CZ 3.99Å; I168-F173 HydrophobicContact CG1-CD1 4.06Å; I168-F173 HydrophobicContact CG1-CE1 3.68Å; I168-F173 HydrophobicContact CG1-CZ 4.4Å; I168-F199 HydrophobicContact CB-CE1 3.97Å; I168-F199 HydrophobicContact CD1-CE1 4.16Å; I168-F199 HydrophobicContact CD1-CZ 4.22Å; I168-F199 HydrophobicContact CG2-CE1 4.12Å; I168-F199 HydrophobicContact CG2-CZ 4.48Å; I168-W242 HydrophobicContact CD1-CZ3 4.01Å; I168-W242 HydrophobicContact CG2-CH2 3.62Å; I168-W242 HydrophobicContact CG2-CZ2 4.34Å; I168-W242 HydrophobicContact CG2-CZ3 4.09Å; I168-F247 HydrophobicContact CD1-CD2 3.84Å; I168-F247 HydrophobicContact CD1-CE2 4.03Å; I168-Y250 HydrophobicContact CB-CE1 4.4Å; I168-Y250 HydrophobicContact CD1-CD1 4.17Å; I168-Y250 HydrophobicContact CD1-CE1 4.24Å; I168-Y250 HydrophobicContact CG1-CD1 4.2Å; I168-Y250 HydrophobicContact CG1-CE1 3.76Å; I168-Y250 HydrophobicContact CG2-CE1 4.1Å; I168-Y250 HydrophobicContact CG2-CE2 4.16Å
169N92.5Very high96.2Very high108 Ų10824.3 Ų24.358%0.57813%0.128SC*.THydrogen-bonded Turntrans52.729.6-177-55.5-19000113.6F171N169-F171 HydrophobicContact CB-CD2 4.21Å; N169-F171 HydrophobicContact CB-CE2 4.43Å; N169-F171 WeakPolarHBondContact O-CD2 3.19Å; N169-F171 WeakPolarHBondContact O-CE2 3.34Å
170G94.2Very high96.3Very high27 Ų2723.6 Ų23.628%0.27812%0.124SC..THydrogen-bonded Turntrans86.3-3.4-177.400000115.2I168 Y204I168-G170 PolarHBondContact O-N 2.87Å; G170-Y204 WeakPolarHBondContact O-CB 3.38Å; G170-Y204 PolarHBondContact O-N 3.35Å
171F94.6Very high96.4Very high12 Ų1220.5 Ų20.55%0.05311%0.113CC..EExtended strand (participates in β ladder)trans-94.8139.2-179.2-60.8-83.3000112.3L167 I168 N169 F199 K203 D234 L235L167-F171 WeakPolarHBondContact CA-O 3.45Å; I168-F171 PolarHBondContact N-O 3.26Å; I168-F171 PolarHBondContact O-N 2.79Å; N169-F171 HydrophobicContact CB-CD2 4.21Å; N169-F171 HydrophobicContact CB-CE2 4.43Å; N169-F171 WeakPolarHBondContact O-CD2 3.19Å; N169-F171 WeakPolarHBondContact O-CE2 3.34Å; F171-F199 HydrophobicContact CB-CD1 4.06Å; F171-K203 HydrophobicContact CD1-CG 4.4Å; F171-K203 HydrophobicContact CE1-CG 3.83Å; F171-K203 HydrophobicContact CE2-CG 4.29Å; F171-K203 HydrophobicContact CZ-CG 3.76Å; F171-D234 HydrophobicContact CE1-CB 3.7Å; F171-D234 HydrophobicContact CZ-CB 3.44Å; F171-D234 VanDerWaalsContact CZ-CB 3.44Å; F171-L235 HydrophobicContact CB-CD1 4.43Å; F171-L235 HydrophobicContact CD1-CD1 3.64Å; F171-L235 HydrophobicContact CD1-CG 4.15Å; F171-L235 HydrophobicContact CD2-CD1 3.81Å; F171-L235 HydrophobicContact CD2-CD2 4.44Å; F171-L235 HydrophobicContact CD2-CG 4.27Å; F171-L235 HydrophobicContact CE1-CD1 3.77Å; F171-L235 HydrophobicContact CE1-CG 3.73Å; F171-L235 HydrophobicContact CE2-CD1 3.93Å; F171-L235 HydrophobicContact CE2-CD2 3.91Å; F171-L235 HydrophobicContact CE2-CG 3.86Å; F171-L235 HydrophobicContact CG-CD1 3.67Å; F171-L235 HydrophobicContact CG-CG 4.41Å; F171-L235 HydrophobicContact CZ-CD1 3.93Å; F171-L235 HydrophobicContact CZ-CD2 4.03Å; F171-L235 HydrophobicContact CZ-CG 3.58Å
172K96.6Very high96.3Very high12 Ų1220.2 Ų20.25%0.05211%0.113CC..EExtended strand (participates in β ladder)trans-74.3140.7168.2-178.1-179.1-179.1-1760109.2Y161 P165 L167 A200 Y204 H217 T219Y161-K172 PolarHBondContact OH-NZ 2.93Å; P165-K172 HydrophobicContact CB-CG 4.15Å; P165-K172 HydrophobicContact CG-CD 4.34Å; P165-K172 HydrophobicContact CG-CG 4.15Å; L167-K172 HydrophobicContact CD2-CB 4.32Å; K172-A200 HydrophobicContact CB-CB 4.15Å; K172-A200 WeakPolarHBondContact O-CB 3.42Å; K172-A200 PolarHBondContact O-N 3.12Å; K172-Y204 HydrophobicContact CB-CD2 3.86Å; K172-Y204 HydrophobicContact CB-CG 4.39Å; K172-Y204 HydrophobicContact CD-CD2 3.99Å; K172-Y204 HydrophobicContact CD-CE2 4.05Å; K172-Y204 HydrophobicContact CG-CD2 4.39Å; K172-H217 PolarHBondContact NZ-O 3.15Å; K172-T219 HydrophobicContact CD-CG2 4.4Å; K172-T219 HydrophobicContact CG-CG2 4.07Å
173F97.1Very high96.1Very high1 Ų120.5 Ų20.50%0.00412%0.115CC..EExtended strand (participates in β ladder)trans-138.9168.1174.567.9-85.9000111.7F166 I168 L175 V197 R198 F199 F247 L303 I304F166-F173 HydrophobicContact CB-CE1 4.48Å; F166-F173 AromaticContact CD1-CE1 3.69Å; F166-F173 HydrophobicContact CD1-CE1 3.69Å; F166-F173 AromaticContact CD1-CZ 3.73Å; F166-F173 HydrophobicContact CD1-CZ 3.73Å; F166-F173 HydrophobicContact CE1-CE1 4.48Å; F166-F173 VanDerWaalsContact O-CE1 3.27Å; F166-F173 WeakPolarHBondContact O-CE1 3.19Å; I168-F173 HydrophobicContact CB-CD1 4.45Å; I168-F173 HydrophobicContact CB-CE1 4.5Å; I168-F173 HydrophobicContact CD1-CD1 3.93Å; I168-F173 HydrophobicContact CD1-CE1 3.64Å; I168-F173 HydrophobicContact CD1-CZ 3.99Å; I168-F173 HydrophobicContact CG1-CD1 4.06Å; I168-F173 HydrophobicContact CG1-CE1 3.68Å; I168-F173 HydrophobicContact CG1-CZ 4.4Å; F173-L175 HydrophobicContact CD2-CD2 4.1Å; F173-L175 HydrophobicContact CE2-CD2 3.89Å; F173-L175 HydrophobicContact CE2-CG 4.32Å; F173-V197 HydrophobicContact CB-CG1 3.95Å; F173-V197 HydrophobicContact CD2-CG1 3.54Å; F173-V197 HydrophobicContact CE2-CG1 4.35Å; F173-V197 HydrophobicContact CG-CG1 3.98Å; F173-R198 CarbonylContact C-O 3.55Å; F173-R198 WeakPolarHBondContact CA-O 3.41Å; F173-R198 WeakPolarHBondContact CB-O 3.27Å; F173-F199 HydrophobicContact CB-CD1 3.67Å; F173-F199 HydrophobicContact CB-CE1 3.8Å; F173-F199 HydrophobicContact CB-CG 4.2Å; F173-F199 HydrophobicContact CB-CZ 4.44Å; F173-F199 HydrophobicContact CD1-CE1 4.28Å; F173-F199 HydrophobicContact CG-CE1 4.21Å; F173-F247 HydrophobicContact CE2-CD2 4.25Å; F173-F247 AromaticContact CE2-CE2 3.68Å; F173-F247 HydrophobicContact CE2-CE2 3.68Å; F173-F247 HydrophobicContact CE2-CZ 4.16Å; F173-F247 HydrophobicContact CZ-CD2 4.4Å; F173-F247 AromaticContact CZ-CE2 3.6Å; F173-F247 HydrophobicContact CZ-CE2 3.6Å; F173-F247 HydrophobicContact CZ-CZ 4.22Å; F173-L303 WeakPolarHBondContact O-CD1 3.41Å; F173-I304 HydrophobicContact CE2-CD1 4.4Å
174D97.4Very high96Very high7 Ų717.6 Ų17.64%0.03710%0.097CC..EExtended strand (participates in β ladder)trans-135.4155.2167.786.8-93000110.8V197 R198 T219D174-V197 WeakPolarHBondContact O-CA 3.32Å; D174-R198 PolarHBondContact N-O 2.89Å; D174-R198 PolarHBondContact O-N 2.98Å; D174-R198 IonicContact OD1-CZ 3.94Å; D174-R198 IonicContact OD1-NE 3.74Å; D174-R198 PolarHBondContact OD1-NE 3.31Å; D174-R198 IonicContact OD1-NH2 2.77Å; D174-R198 PolarHBondContact OD1-NH2 3.41Å; D174-R198 VanDerWaalsContact OD1-NH2 3.16Å; D174-R198 IonicContact OD2-CZ 3.32Å; D174-R198 VanDerWaalsContact OD2-CZ 3.32Å; D174-R198 IonicContact OD2-NE 3.25Å; D174-R198 PolarHBondContact OD2-NE 3.02Å; D174-R198 IonicContact OD2-NH2 3.34Å; D174-R198 PolarHBondContact OD2-NH2 2.55Å; D174-T219 HydrophobicContact CB-CG2 4.45Å; D174-T219 WeakPolarHBondContact OD1-CB 3.45Å; D174-T219 PolarHBondContact OD1-OG1 2.91Å
175L97.8Very high95.5Very high0 Ų018.3 Ų18.30%010%0.098CC..EExtended strand (participates in β ladder)trans-98.2120.3177.3-55-176.9000110.1F173 L177 V197 L244 F247 I265 F300 D301 I302 I304F173-L175 HydrophobicContact CD2-CD2 4.1Å; F173-L175 HydrophobicContact CE2-CD2 3.89Å; F173-L175 HydrophobicContact CE2-CG 4.32Å; L175-L177 HydrophobicContact CB-CD2 4.36Å; L175-L177 HydrophobicContact CB-CG 4.48Å; L175-V197 HydrophobicContact CD2-CB 4.22Å; L175-V197 HydrophobicContact CD2-CG1 4.07Å; L175-V197 HydrophobicContact CD2-CG2 3.46Å; L175-V197 VanDerWaalsContact CD2-CG2 3.46Å; L175-L244 HydrophobicContact CD1-CD1 4.46Å; L175-L244 HydrophobicContact CD2-CD1 4.17Å; L175-F247 HydrophobicContact CD1-CE1 3.98Å; L175-F247 HydrophobicContact CD1-CZ 4.42Å; L175-F247 HydrophobicContact CD2-CD1 4.07Å; L175-F247 HydrophobicContact CD2-CE1 4.1Å; L175-F247 HydrophobicContact CD2-CG 4.3Å; L175-F247 HydrophobicContact CD2-CZ 4.37Å; L175-I265 HydrophobicContact CD1-CD1 4.18Å; L175-F300 VanDerWaalsContact O-O 3.13Å; L175-D301 WeakPolarHBondContact O-CA 3.46Å; L175-I302 HydrophobicContact CB-CB 4.34Å; L175-I302 PolarHBondContact N-O 3.07Å; L175-I302 PolarHBondContact O-N 2.85Å; L175-I304 HydrophobicContact CD1-CD1 3.58Å; L175-I304 HydrophobicContact CD1-CG1 4.32Å; L175-I304 HydrophobicContact CG-CD1 4.28Å
176R97.2Very high95Very high25 Ų2518 Ų189%0.09410%0.096CC..EExtended strand (participates in β ladder)trans-91.8106.2164.1172.157.956.972.2-5.3109.2Y178 G195 I196 F300 D301 N316R176-Y178 HydrophobicContact CG-CE1 4.22Å; R176-Y178 HydrophobicContact CG-CE2 4.36Å; R176-G195 VanDerWaalsContact O-CA 3.31Å; R176-G195 WeakPolarHBondContact O-CA 3.45Å; R176-I196 WeakPolarHBondContact CA-O 3.23Å; R176-I196 HydrophobicContact CB-CB 4.23Å; R176-I196 VanDerWaalsContact CB-O 3.3Å; R176-I196 WeakPolarHBondContact CB-O 3.35Å; R176-I196 PolarHBondContact N-O 2.76Å; R176-I196 PolarHBondContact O-N 2.69Å; R176-F300 WeakPolarHBondContact CA-O 3.44Å; R176-D301 IonicContact CZ-OD1 3.56Å; R176-D301 IonicContact CZ-OD2 3.93Å; R176-D301 IonicContact NE-OD1 2.86Å; R176-D301 PolarHBondContact NE-OD1 3.28Å; R176-D301 IonicContact NE-OD2 3.05Å; R176-D301 IonicContact NH2-OD1 2.81Å; R176-D301 PolarHBondContact NH2-OD1 3.32Å; R176-D301 IonicContact NH2-OD2 3.13Å; R176-D301 PolarHBondContact NH2-OD2 2.66Å; R176-N316 PolarHBondContact NH2-ND2 2.8Å
177L97.9Very high94.8Very high4 Ų416.5 Ų16.52%0.0219%0.089CC..EExtended strand (participates in β ladder)trans-101146.3172.9-52.6-176000110.4L175 I191 L244 I265 G299 F300 I302L175-L177 HydrophobicContact CB-CD2 4.36Å; L175-L177 HydrophobicContact CB-CG 4.48Å; L177-I191 HydrophobicContact CB-CD1 4.45Å; L177-I191 HydrophobicContact CD1-CD1 4.08Å; L177-L244 HydrophobicContact CD2-CD1 3.9Å; L177-L244 HydrophobicContact CD2-CD2 3.6Å; L177-L244 HydrophobicContact CD2-CG 4.38Å; L177-I265 HydrophobicContact CD1-CG2 3.42Å; L177-I265 VanDerWaalsContact CD1-CG2 3.42Å; L177-G299 CarbonylContact O-C 3.41Å; L177-G299 WeakPolarHBondContact O-CA 3.22Å; L177-F300 HydrophobicContact CB-CB 4.31Å; L177-F300 PolarHBondContact N-O 3.3Å; L177-F300 PolarHBondContact O-N 3Å; L177-I302 HydrophobicContact CD1-CD1 3.56Å; L177-I302 HydrophobicContact CG-CD1 4.38Å
178Y98.2Very high94.6Very high1 Ų114.2 Ų14.20%0.0048%0.076CC..EExtended strand (participates in β ladder)trans-105.7120.1178.3-62.1-76.3000109.8R176 Y192 I196 Y298 P319 V331 K332 L335R176-Y178 HydrophobicContact CG-CE1 4.22Å; R176-Y178 HydrophobicContact CG-CE2 4.36Å; Y178-Y192 PolarHBondContact O-N 2.84Å; Y178-I196 HydrophobicContact CE2-CG1 4.42Å; Y178-I196 WeakPolarHBondContact OH-CD1 3.5Å; Y178-Y298 WeakPolarHBondContact CA-O 3.23Å; Y178-P319 HydrophobicContact CD1-CB 4.45Å; Y178-P319 HydrophobicContact CD1-CG 4.12Å; Y178-P319 HydrophobicContact CE1-CB 4.1Å; Y178-P319 HydrophobicContact CE1-CG 4.19Å; Y178-V331 HydrophobicContact CD2-CG1 4.38Å; Y178-V331 HydrophobicContact CE2-CG1 3.82Å; Y178-K332 WeakPolarHBondContact OH-CE 3.49Å; Y178-L335 HydrophobicContact CD1-CD2 3.55Å; Y178-L335 HydrophobicContact CD2-CD1 4.41Å; Y178-L335 HydrophobicContact CD2-CD2 3.75Å; Y178-L335 HydrophobicContact CE1-CD2 3.73Å; Y178-L335 HydrophobicContact CE2-CD2 3.94Å; Y178-L335 HydrophobicContact CG-CD1 4.05Å; Y178-L335 HydrophobicContact CG-CD2 3.55Å; Y178-L335 HydrophobicContact CG-CG 4.47Å
179V98.2Very high94.6Very high0 Ų014.1 Ų14.10%08%0.076CC..EExtended strand (participates in β ladder)trans-120.6120-179.2177.60000108.2Y190 I191 V269 L273 Y298 F300 I391V179-Y190 CarbonylContact C-O 3.53Å; V179-Y190 VanDerWaalsContact CA-O 3.27Å; V179-Y190 WeakPolarHBondContact CA-O 3.43Å; V179-I191 HydrophobicContact CG2-CD1 4.4Å; V179-I191 HydrophobicContact CG2-CG1 4.11Å; V179-V269 HydrophobicContact CB-CG1 4.46Å; V179-V269 HydrophobicContact CG1-CG1 3.98Å; V179-V269 HydrophobicContact CG2-CG1 3.7Å; V179-V269 HydrophobicContact CG2-CG2 4.42Å; V179-L273 HydrophobicContact CG1-CD1 4.25Å; V179-Y298 PolarHBondContact N-O 3.2Å; V179-Y298 PolarHBondContact O-N 3.49Å; V179-F300 HydrophobicContact CB-CD2 3.76Å; V179-F300 HydrophobicContact CB-CE2 3.74Å; V179-F300 HydrophobicContact CG1-CE2 4.11Å; V179-F300 HydrophobicContact CG2-CD2 3.52Å; V179-F300 HydrophobicContact CG2-CE2 3.83Å; V179-F300 HydrophobicContact CG2-CG 4.15Å; V179-I391 HydrophobicContact CG1-CD1 4.17Å
180L97.6Very high94.9Very high0 Ų09.3 Ų9.30%05%0.05CC..EExtended strand (participates in β ladder)trans-98.1125.4174.9-179.172000109.7A189 Y190 Y295 E296 L297 V339 I342 F388L180-A189 CarbonylContact O-C 3.56Å; L180-A189 VanDerWaalsContact O-CA 3.23Å; L180-A189 WeakPolarHBondContact O-CA 3.3Å; L180-Y190 PolarHBondContact N-O 2.65Å; L180-Y190 PolarHBondContact O-N 2.76Å; L180-Y295 HydrophobicContact CD1-CD2 4.16Å; L180-E296 WeakPolarHBondContact CA-O 3.24Å; L180-L297 HydrophobicContact CB-CD1 4.38Å; L180-L297 HydrophobicContact CD1-CB 4.32Å; L180-V339 HydrophobicContact CD1-CG1 4.06Å; L180-V339 HydrophobicContact CD1-CG2 4.38Å; L180-V339 HydrophobicContact CD2-CG2 4.48Å; L180-I342 HydrophobicContact CD2-CB 4.35Å; L180-I342 HydrophobicContact CD2-CD1 4.18Å; L180-I342 HydrophobicContact CD2-CG2 3.03Å; L180-F388 HydrophobicContact CB-CD1 4.24Å; L180-F388 HydrophobicContact CB-CE1 3.7Å; L180-F388 HydrophobicContact CB-CZ 4.03Å; L180-F388 HydrophobicContact CD2-CZ 4.5Å
181V96.8Very high95Very high0 Ų08.9 Ų8.90%04%0.041CC..EExtended strand (participates in β ladder)trans-101.5112.1166.2-1790000107.8F70 C183 W184 L187 R188 A189 L273 Y295 E296 Y298F70-V181 HydrophobicContact CE2-CB 4.11Å; F70-V181 HydrophobicContact CE2-CG1 3.97Å; F70-V181 WeakPolarHBondContact CE2-O 3.39Å; F70-V181 HydrophobicContact CZ-CG1 4.25Å; V181-C183 WeakPolarHBondContact CG1-O 3.28Å; V181-W184 HydrophobicContact CG1-CD2 4.07Å; V181-W184 HydrophobicContact CG1-CG 4.26Å; V181-W184 HydrophobicContact CG1-CZ2 4.13Å; V181-W184 HydrophobicContact CG2-CZ2 4.23Å; V181-L187 HydrophobicContact CG1-CD1 4.21Å; V181-R188 WeakPolarHBondContact CA-O 3.45Å; V181-A189 HydrophobicContact CG2-CB 4.09Å; V181-L273 HydrophobicContact CG2-CD1 4.24Å; V181-L273 HydrophobicContact CG2-CD2 3.72Å; V181-Y295 CarbonylContact O-C 3.47Å; V181-Y295 WeakPolarHBondContact O-CA 3.47Å; V181-E296 PolarHBondContact N-O 2.62Å; V181-E296 PolarHBondContact O-N 3.16Å; V181-Y298 HydrophobicContact CB-CE2 4.06Å; V181-Y298 HydrophobicContact CG2-CD2 3.93Å; V181-Y298 HydrophobicContact CG2-CE2 3.7Å
182S93.7Very high95.2Very high7 Ų78.4 Ų8.45%0.0494%0.039CC..EExtended strand (participates in β ladder)trans-86.4-25177.960.70000112.3R188 E381S182-R188 PolarHBondContact N-O 2.92Å; S182-R188 VanDerWaalsContact OG-CB 3.31Å; S182-R188 WeakPolarHBondContact OG-CB 3.42Å; S182-E381 WeakPolarHBondContact CB-OE1 3.09Å; S182-E381 PolarHBondContact OG-OE1 2.82Å
183C91Very high95.1Very high9 Ų913.3 Ų13.36%0.0616%0.062CC..EExtended strand (participates in β ladder)trans-157.6147.5177.5-166.80000110.9V181 K185 P186 L187 R188V181-C183 WeakPolarHBondContact CG1-O 3.28Å; C183-K185 PolarHBondContact SG-N 2.88Å; C183-K185 VanDerWaalsContact SG-N 3.38Å; C183-K185 PolarHBondContact SG-O 2.92Å; C183-P186 CarbonylContact C-O 3.15Å; C183-P186 WeakPolarHBondContact CB-O 3.38Å; C183-P186 VanDerWaalsContact O-O 3.13Å; C183-L187 WeakPolarHBondContact O-CA 3.16Å; C183-R188 HydrophobicContact CB-CB 4.23Å; C183-R188 HydrophobicContact CB-CG 4.41Å; C183-R188 PolarHBondContact O-N 3.24Å
184W91.6Very high95Very high0 Ų014.7 Ų14.70%07%0.068CC..EExtended strand (participates in β ladder)trans-99.4-16.7171-7093.3000113.3F70 V181 P186 L187 L273 E277 I280 N281 M284 Y298F70-W184 AromaticContact CD1-CD1 3.57Å; F70-W184 AromaticContact CD1-NE1 3.88Å; F70-W184 AromaticContact CD2-CD1 3.7Å; F70-W184 AromaticContact CD2-NE1 3.13Å; F70-W184 AromaticContact CE1-CD1 3.49Å; F70-W184 VanDerWaalsContact CE1-CD1 3.49Å; F70-W184 AromaticContact CE1-NE1 3.99Å; F70-W184 AromaticContact CE2-CD1 3.6Å; F70-W184 AromaticContact CE2-NE1 3.24Å; F70-W184 AromaticContact CG-CD1 3.68Å; F70-W184 AromaticContact CG-NE1 3.47Å; F70-W184 AromaticContact CZ-CD1 3.49Å; F70-W184 VanDerWaalsContact CZ-CD1 3.49Å; F70-W184 AromaticContact CZ-NE1 3.68Å; V181-W184 HydrophobicContact CG1-CD2 4.07Å; V181-W184 HydrophobicContact CG1-CG 4.26Å; V181-W184 HydrophobicContact CG1-CZ2 4.13Å; V181-W184 HydrophobicContact CG2-CZ2 4.23Å; W184-P186 CarbonylContact C-O 3.56Å; W184-P186 VanDerWaalsContact C-O 3.3Å; W184-P186 CarbonylContact O-C 3.52Å; W184-L187 HydrophobicContact CD2-CD1 4.25Å; W184-L187 HydrophobicContact CE3-CD1 3.63Å; W184-L187 HydrophobicContact CZ3-CD1 3.87Å; W184-L187 PolarHBondContact O-N 3.02Å; W184-L273 HydrophobicContact CH2-CB 4.39Å; W184-L273 HydrophobicContact CH2-CD2 3.77Å; W184-L273 HydrophobicContact CZ2-CD2 4.42Å; W184-L273 HydrophobicContact CZ3-CB 4.34Å; W184-L273 HydrophobicContact CZ3-CD2 4.49Å; W184-L273 WeakPolarHBondContact CZ3-O 3.48Å; W184-E277 HydrophobicContact CE3-CB 3.93Å; W184-E277 HydrophobicContact CE3-CG 4.12Å; W184-E277 HydrophobicContact CZ3-CB 4.02Å; W184-I280 HydrophobicContact CB-CG2 4.35Å; W184-I280 HydrophobicContact CD2-CB 4.29Å; W184-I280 HydrophobicContact CD2-CD1 4.23Å; W184-I280 HydrophobicContact CD2-CG2 3.76Å; W184-I280 HydrophobicContact CE3-CD1 4.33Å; W184-I280 HydrophobicContact CE3-CG2 4.47Å; W184-I280 HydrophobicContact CG-CG2 3.67Å; W184-I280 HydrophobicContact CH2-CD1 3.59Å; W184-I280 HydrophobicContact CZ2-CD1 3.45Å; W184-I280 VanDerWaalsContact CZ2-CD1 3.45Å; W184-I280 HydrophobicContact CZ3-CD1 4.03Å; W184-N281 WeakPolarHBondContact CB-OD1 3.42Å; W184-N281 PolarHBondContact O-ND2 3.34Å; W184-N281 PolarHBondContact O-OD1 3.41Å; W184-M284 HydrophobicContact CB-SD 3.78Å; W184-M284 VanDerWaalsContact CD1-SD 3.53Å; W184-M284 HydrophobicContact CG-SD 3.93Å; W184-Y298 HydrophobicContact CZ2-CE2 4.34Å
185K85.4Confident95Very high69 Ų6914.3 Ų14.330%0.37%0.066SC..THydrogen-bonded Turntrans-136.991.6-179.7-171.9168-177.7159.70110.7C183 S291 E408C183-K185 PolarHBondContact SG-N 2.88Å; C183-K185 VanDerWaalsContact SG-N 3.38Å; C183-K185 PolarHBondContact SG-O 2.92Å; K185-S291 PolarHBondContact O-OG 3.14Å; K185-E408 WeakPolarHBondContact CE-OE2 3.33Å; K185-E408 IonicContact NZ-OE1 3.78Å; K185-E408 IonicContact NZ-OE2 3.96Å; K185-E408 PolarHBondContact NZ-OE2 2.86Å
186P87.1Confident94.9Very high1 Ų114.6 Ų14.61%0.0067%0.068CC..THydrogen-bonded Turncis-71.4161.7-2.933.4-36.6000112.3C183 W184 R188 F374 V410 N411 V414C183-P186 CarbonylContact C-O 3.15Å; C183-P186 WeakPolarHBondContact CB-O 3.38Å; C183-P186 VanDerWaalsContact O-O 3.13Å; W184-P186 CarbonylContact C-O 3.56Å; W184-P186 VanDerWaalsContact C-O 3.3Å; W184-P186 CarbonylContact O-C 3.52Å; P186-R188 HydrophobicContact CG-CG 4.21Å; P186-R188 PolarHBondContact O-N 2.97Å; P186-R188 VanDerWaalsContact O-N 3.11Å; P186-F374 VanDerWaalsContact CD-CE2 3.44Å; P186-F374 HydrophobicContact CG-CE1 3.77Å; P186-F374 HydrophobicContact CG-CE2 4.05Å; P186-F374 HydrophobicContact CG-CZ 3.18Å; P186-V410 HydrophobicContact CB-CB 4.21Å; P186-V410 HydrophobicContact CB-CG1 4.07Å; P186-V410 HydrophobicContact CG-CB 4.36Å; P186-V410 HydrophobicContact CG-CG1 3.72Å; P186-N411 WeakPolarHBondContact CA-OD1 3.43Å; P186-N411 WeakPolarHBondContact CB-OD1 3.46Å; P186-V414 HydrophobicContact CG-CG2 4.28Å
187L92.9Very high94.9Very high2 Ų213.4 Ų13.41%0.016%0.063CC..EExtended strand (participates in β ladder)trans-68.5111.9176.317958.3000109.4V181 C183 W184 L273 I274 I392 F404 N411V181-L187 HydrophobicContact CG1-CD1 4.21Å; C183-L187 WeakPolarHBondContact O-CA 3.16Å; W184-L187 HydrophobicContact CD2-CD1 4.25Å; W184-L187 HydrophobicContact CE3-CD1 3.63Å; W184-L187 HydrophobicContact CZ3-CD1 3.87Å; W184-L187 PolarHBondContact O-N 3.02Å; L187-L273 HydrophobicContact CD2-CB 4.17Å; L187-I274 HydrophobicContact CD2-CG1 3.97Å; L187-I392 HydrophobicContact CD2-CD1 4.31Å; L187-I392 HydrophobicContact CD2-CG2 4.1Å; L187-I392 HydrophobicContact CG-CG2 3.91Å; L187-F404 HydrophobicContact CB-CE1 4.28Å; L187-F404 HydrophobicContact CB-CZ 4.33Å; L187-F404 HydrophobicContact CD2-CE1 4.25Å; L187-F404 HydrophobicContact CD2-CZ 4.04Å; L187-N411 PolarHBondContact N-OD1 2.95Å
188R93.3Very high94.7Very high12 Ų1214.2 Ų14.25%0.0457%0.066CC..EExtended strand (participates in β ladder)trans-123.1112.7177-65.3178.863.8178.28.3109V181 S182 C183 P186 Y190 M378 E381 I392V181-R188 WeakPolarHBondContact CA-O 3.45Å; S182-R188 PolarHBondContact N-O 2.92Å; S182-R188 VanDerWaalsContact OG-CB 3.31Å; S182-R188 WeakPolarHBondContact OG-CB 3.42Å; C183-R188 HydrophobicContact CB-CB 4.23Å; C183-R188 HydrophobicContact CB-CG 4.41Å; C183-R188 PolarHBondContact O-N 3.24Å; P186-R188 HydrophobicContact CG-CG 4.21Å; P186-R188 PolarHBondContact O-N 2.97Å; P186-R188 VanDerWaalsContact O-N 3.11Å; R188-Y190 PolarHBondContact NH2-OH 3.1Å; R188-M378 PolarHBondContact NH2-O 2.95Å; R188-E381 IonicContact CZ-OE1 3.94Å; R188-E381 IonicContact CZ-OE2 2.69Å; R188-E381 IonicContact NE-OE1 3.88Å; R188-E381 PolarHBondContact NE-OE1 3.44Å; R188-E381 IonicContact NE-OE2 2.65Å; R188-E381 VanDerWaalsContact NH1-CD 3.32Å; R188-E381 IonicContact NH1-OE1 3.9Å; R188-E381 IonicContact NH1-OE2 3.73Å; R188-E381 PolarHBondContact NH1-OE2 3.09Å; R188-E381 VanDerWaalsContact NH2-CB 3.3Å; R188-E381 VanDerWaalsContact NH2-CG 3.3Å; R188-E381 IonicContact NH2-OE1 3.8Å; R188-E381 PolarHBondContact NH2-OE1 3.22Å; R188-E381 IonicContact NH2-OE2 2.84Å; R188-E381 PolarHBondContact NH2-OE2 3.42Å; R188-I392 CarbonylContact C-O 3.51Å; R188-I392 WeakPolarHBondContact CA-O 3.26Å
189A96.4Very high94.6Very high0 Ų014.5 Ų14.50%07%0.067CC..EExtended strand (participates in β ladder)trans-135.7147179.400000111.4L180 V181 L273 I391 I392L180-A189 CarbonylContact O-C 3.56Å; L180-A189 VanDerWaalsContact O-CA 3.23Å; L180-A189 WeakPolarHBondContact O-CA 3.3Å; V181-A189 HydrophobicContact CG2-CB 4.09Å; A189-L273 HydrophobicContact CB-CD1 3.47Å; A189-L273 VanDerWaalsContact CB-CD1 3.47Å; A189-I391 HydrophobicContact CB-CD1 4.04Å; A189-I391 HydrophobicContact CB-CG1 3.89Å; A189-I391 VanDerWaalsContact O-CG1 3.23Å; A189-I391 WeakPolarHBondContact O-CG1 3.43Å; A189-I391 PolarHBondContact O-N 2.98Å; A189-I392 HydrophobicContact CB-CG2 3.92Å; A189-I392 PolarHBondContact N-O 2.83Å; A189-I392 PolarHBondContact O-N 3.48Å; A189-I392 VanDerWaalsContact O-O 3.12Å
190Y97.4Very high94.3Very high6 Ų614.5 Ų14.52%0.0247%0.067CC..EExtended strand (participates in β ladder)trans-130.7145.6-179.5-56.6-103.5000109.1V179 L180 R188 I342 E381 R385 F388 A389 P390V179-Y190 CarbonylContact C-O 3.53Å; V179-Y190 VanDerWaalsContact CA-O 3.27Å; V179-Y190 WeakPolarHBondContact CA-O 3.43Å; L180-Y190 PolarHBondContact N-O 2.65Å; L180-Y190 PolarHBondContact O-N 2.76Å; R188-Y190 PolarHBondContact NH2-OH 3.1Å; Y190-I342 HydrophobicContact CD1-CD1 3.9Å; Y190-I342 HydrophobicContact CD2-CD1 3.63Å; Y190-I342 HydrophobicContact CE1-CD1 3.85Å; Y190-I342 HydrophobicContact CE2-CD1 3.61Å; Y190-I342 HydrophobicContact CG-CD1 3.82Å; Y190-E381 WeakPolarHBondContact CE2-OE1 3.38Å; Y190-E381 PolarHBondContact OH-OE1 2.77Å; Y190-R385 HydrophobicContact CE1-CB 4.4Å; Y190-F388 HydrophobicContact CD1-CB 4.2Å; Y190-F388 HydrophobicContact CG-CB 4.28Å; Y190-A389 CarbonylContact C-O 3.51Å; Y190-A389 WeakPolarHBondContact CA-O 3.09Å; Y190-P390 HydrophobicContact CD1-CB 4.08Å; Y190-P390 HydrophobicContact CE1-CB 4.06Å
191I97.2Very high93.9Very high18 Ų1814.5 Ų14.59%0.0927%0.067CC..EExtended strand (participates in β ladder)trans-106.1137.2169.2-162.8165.3000108.6L177 V179 L266 A389 I391L177-I191 HydrophobicContact CB-CD1 4.45Å; L177-I191 HydrophobicContact CD1-CD1 4.08Å; V179-I191 HydrophobicContact CG2-CD1 4.4Å; V179-I191 HydrophobicContact CG2-CG1 4.11Å; I191-L266 HydrophobicContact CD1-CD2 4.04Å; I191-L266 HydrophobicContact CG2-CD2 3.95Å; I191-A389 HydrophobicContact CG2-CB 4.18Å; I191-A389 PolarHBondContact N-O 2.94Å; I191-A389 PolarHBondContact O-N 3.32Å; I191-I391 HydrophobicContact CB-CG2 3.74Å; I191-I391 HydrophobicContact CG2-CG2 3.44Å; I191-I391 VanDerWaalsContact CG2-CG2 3.44Å
192Y97.6Very high93.5Very high3 Ų315.2 Ų15.21%0.0127%0.072CC..EExtended strand (participates in β ladder)trans-73.1136.5174-157.6-119.2000109.2Y178 E194 S334 L335 D338 K387 F388Y178-Y192 PolarHBondContact O-N 2.84Å; Y192-E194 HydrophobicContact CD1-CB 3.87Å; Y192-E194 WeakPolarHBondContact CD1-O 3.48Å; Y192-E194 HydrophobicContact CE1-CB 3.88Å; Y192-E194 PolarHBondContact O-N 3.34Å; Y192-S334 WeakPolarHBondContact OH-CB 3.25Å; Y192-S334 PolarHBondContact OH-OG 3.38Å; Y192-L335 HydrophobicContact CD1-CB 4.21Å; Y192-L335 HydrophobicContact CD1-CD1 3.71Å; Y192-L335 HydrophobicContact CD2-CD1 3.66Å; Y192-L335 HydrophobicContact CE1-CB 3.8Å; Y192-L335 HydrophobicContact CE1-CD1 4.11Å; Y192-L335 HydrophobicContact CE2-CB 4.36Å; Y192-L335 HydrophobicContact CE2-CD1 4.07Å; Y192-L335 HydrophobicContact CG-CD1 3.48Å; Y192-L335 VanDerWaalsContact CG-CD1 3.48Å; Y192-L335 VanDerWaalsContact CZ-CA 3.47Å; Y192-L335 PolarHBondContact OH-N 2.93Å; Y192-D338 HydrophobicContact CE2-CB 4.19Å; Y192-K387 HydrophobicContact CD2-CB 4.3Å; Y192-K387 HydrophobicContact CE2-CB 3.62Å; Y192-F388 AromaticContact CD2-CD1 3.89Å; Y192-F388 HydrophobicContact CD2-CD1 3.89Å; Y192-F388 AromaticContact CD2-CD2 3.72Å; Y192-F388 HydrophobicContact CD2-CD2 3.72Å; Y192-F388 AromaticContact CD2-CE1 3.75Å; Y192-F388 HydrophobicContact CD2-CE1 3.75Å; Y192-F388 AromaticContact CD2-CE2 3.57Å; Y192-F388 HydrophobicContact CD2-CE2 3.57Å; Y192-F388 AromaticContact CD2-CG 3.88Å; Y192-F388 HydrophobicContact CD2-CG 3.88Å; Y192-F388 AromaticContact CD2-CZ 3.59Å; Y192-F388 HydrophobicContact CD2-CZ 3.59Å; Y192-F388 HydrophobicContact CE2-CD2 4.11Å; Y192-F388 AromaticContact CE2-CE2 3.96Å; Y192-F388 HydrophobicContact CE2-CE2 3.96Å; Y192-F388 HydrophobicContact CE2-CZ 4.36Å; Y192-F388 HydrophobicContact CG-CD1 4.49Å; Y192-F388 HydrophobicContact CG-CE1 4.17Å; Y192-F388 HydrophobicContact CG-CZ 4.22Å
193E95.3Very high93.4Very high115 Ų11520.7 Ų20.754%0.53710%0.095SC..EExtended strand (participates in β ladder)trans-59.3-29.5179.6-76.7170-17000112.5K387E193-K387 VanDerWaalsContact CG-O 3.26Å; E193-K387 WeakPolarHBondContact CG-O 3.42Å; E193-K387 PolarHBondContact N-O 3.35Å
194E95.7Very high93.6Very high29 Ų2921.9 Ų21.914%0.13610%0.098CC..EExtended strand (participates in β ladder)trans-102.9163.2176.6-94.6-62.2163.900113.8Y192 T243 L244 S245 V331Y192-E194 HydrophobicContact CD1-CB 3.87Å; Y192-E194 WeakPolarHBondContact CD1-O 3.48Å; Y192-E194 HydrophobicContact CE1-CB 3.88Å; Y192-E194 PolarHBondContact O-N 3.34Å; E194-T243 WeakPolarHBondContact OE2-CB 3.49Å; E194-L244 WeakPolarHBondContact OE2-CB 3.37Å; E194-L244 PolarHBondContact OE2-N 2.75Å; E194-S245 WeakPolarHBondContact OE1-CB 3.39Å; E194-S245 PolarHBondContact OE1-N 3.14Å; E194-S245 PolarHBondContact OE1-OG 3.06Å; E194-V331 HydrophobicContact CB-CG1 4.1Å; E194-V331 HydrophobicContact CB-CG2 4.25Å; E194-V331 HydrophobicContact CG-CG2 4.47Å
195G96.5Very high93.6Very high0 Ų024.5 Ų24.50%011%0.114CC..EExtended strand (participates in β ladder)trans-158.4-172.4-178.500000110.9R176 L244R176-G195 VanDerWaalsContact O-CA 3.31Å; R176-G195 WeakPolarHBondContact O-CA 3.45Å; G195-L244 VanDerWaalsContact N-CB 3.32Å; G195-L244 PolarHBondContact O-N 2.87Å
196I96.1Very high93.7Very high6 Ų624.4 Ų24.43%0.03113%0.126CC..EExtended strand (participates in β ladder)trans-127.7122.7176.1-60.2-179000108.6R176 Y178 R198 K241 D328 V331R176-I196 WeakPolarHBondContact CA-O 3.23Å; R176-I196 HydrophobicContact CB-CB 4.23Å; R176-I196 VanDerWaalsContact CB-O 3.3Å; R176-I196 WeakPolarHBondContact CB-O 3.35Å; R176-I196 PolarHBondContact N-O 2.76Å; R176-I196 PolarHBondContact O-N 2.69Å; Y178-I196 HydrophobicContact CE2-CG1 4.42Å; Y178-I196 WeakPolarHBondContact OH-CD1 3.5Å; I196-R198 HydrophobicContact CG2-CG 3.89Å; I196-K241 HydrophobicContact CG2-CB 4.31Å; I196-K241 HydrophobicContact CG2-CD 3.91Å; I196-K241 HydrophobicContact CG2-CG 4.22Å; I196-D328 WeakPolarHBondContact CD1-OD1 3.31Å; I196-V331 HydrophobicContact CG1-CG1 4.37Å
197V96.6Very high93.7Very high0 Ų028.4 Ų28.40%015%0.148CC..EExtended strand (participates in β ladder)trans-87.8132.8167.2-174.40000107.9F173 D174 L175 F199 K241 W242 L244 F247F173-V197 HydrophobicContact CB-CG1 3.95Å; F173-V197 HydrophobicContact CD2-CG1 3.54Å; F173-V197 HydrophobicContact CE2-CG1 4.35Å; F173-V197 HydrophobicContact CG-CG1 3.98Å; D174-V197 WeakPolarHBondContact O-CA 3.32Å; L175-V197 HydrophobicContact CD2-CB 4.22Å; L175-V197 HydrophobicContact CD2-CG1 4.07Å; L175-V197 HydrophobicContact CD2-CG2 3.46Å; L175-V197 VanDerWaalsContact CD2-CG2 3.46Å; V197-F199 HydrophobicContact CB-CE2 4.4Å; V197-F199 HydrophobicContact CG1-CD2 4.5Å; V197-F199 HydrophobicContact CG1-CE2 3.84Å; V197-F199 HydrophobicContact CG1-CZ 3.88Å; V197-K241 WeakPolarHBondContact O-CA 3.45Å; V197-W242 HydrophobicContact CB-CB 4.12Å; V197-W242 PolarHBondContact N-O 3.32Å; V197-W242 PolarHBondContact O-N 3.24Å; V197-W242 VanDerWaalsContact O-N 3.09Å; V197-L244 HydrophobicContact CG2-CD1 4.46Å; V197-F247 HydrophobicContact CG2-CB 3.61Å; V197-F247 HydrophobicContact CG2-CG 4.07Å
198R95Very high93.2Very high21 Ų2131.9 Ų31.98%0.07917%0.169CC..EExtended strand (participates in β ladder)trans-122.3124.9-177.2-55.5178.5-67.2-168.8-2.7110F173 D174 I196 T219 D301F173-R198 CarbonylContact C-O 3.55Å; F173-R198 WeakPolarHBondContact CA-O 3.41Å; F173-R198 WeakPolarHBondContact CB-O 3.27Å; D174-R198 PolarHBondContact N-O 2.89Å; D174-R198 PolarHBondContact O-N 2.98Å; D174-R198 IonicContact OD1-CZ 3.94Å; D174-R198 IonicContact OD1-NE 3.74Å; D174-R198 PolarHBondContact OD1-NE 3.31Å; D174-R198 IonicContact OD1-NH2 2.77Å; D174-R198 PolarHBondContact OD1-NH2 3.41Å; D174-R198 VanDerWaalsContact OD1-NH2 3.16Å; D174-R198 IonicContact OD2-CZ 3.32Å; D174-R198 VanDerWaalsContact OD2-CZ 3.32Å; D174-R198 IonicContact OD2-NE 3.25Å; D174-R198 PolarHBondContact OD2-NE 3.02Å; D174-R198 IonicContact OD2-NH2 3.34Å; D174-R198 PolarHBondContact OD2-NH2 2.55Å; I196-R198 HydrophobicContact CG2-CG 3.89Å; R198-T219 WeakPolarHBondContact CB-O 3.34Å; R198-D301 IonicContact CZ-OD2 2.72Å; R198-D301 IonicContact NH1-OD2 2.72Å; R198-D301 VanDerWaalsContact NH2-CG 3.35Å; R198-D301 IonicContact NH2-OD1 2.94Å; R198-D301 IonicContact NH2-OD2 2.78Å; R198-D301 PolarHBondContact NH2-OD2 3.27Å
199F94.5Very high92.8Very high6 Ų634.9 Ų34.93%0.02619%0.192CC..EExtended strand (participates in β ladder)trans-95.2151.5-178.4-65-90.2000112.4I168 F171 F173 V197 N224 L235 L240 W242I168-F199 HydrophobicContact CB-CE1 3.97Å; I168-F199 HydrophobicContact CD1-CE1 4.16Å; I168-F199 HydrophobicContact CD1-CZ 4.22Å; I168-F199 HydrophobicContact CG2-CE1 4.12Å; I168-F199 HydrophobicContact CG2-CZ 4.48Å; F171-F199 HydrophobicContact CB-CD1 4.06Å; F173-F199 HydrophobicContact CB-CD1 3.67Å; F173-F199 HydrophobicContact CB-CE1 3.8Å; F173-F199 HydrophobicContact CB-CG 4.2Å; F173-F199 HydrophobicContact CB-CZ 4.44Å; F173-F199 HydrophobicContact CD1-CE1 4.28Å; F173-F199 HydrophobicContact CG-CE1 4.21Å; V197-F199 HydrophobicContact CB-CE2 4.4Å; V197-F199 HydrophobicContact CG1-CD2 4.5Å; V197-F199 HydrophobicContact CG1-CE2 3.84Å; V197-F199 HydrophobicContact CG1-CZ 3.88Å; F199-N224 PolarHBondContact O-ND2 3.27Å; F199-L235 HydrophobicContact CB-CD1 4.25Å; F199-L240 HydrophobicContact CB-CD2 4.44Å; F199-L240 PolarHBondContact N-O 2.96Å; F199-W242 HydrophobicContact CE2-CB 4.22Å; F199-W242 AromaticContact CE2-CD1 3.84Å; F199-W242 AromaticContact CE2-CD2 3.68Å; F199-W242 HydrophobicContact CE2-CD2 3.68Å; F199-W242 AromaticContact CE2-CE2 3.92Å; F199-W242 HydrophobicContact CE2-CE3 4.26Å; F199-W242 AromaticContact CE2-CG 3.64Å; F199-W242 HydrophobicContact CE2-CG 3.64Å; F199-W242 AromaticContact CE2-NE1 3.95Å; F199-W242 AromaticContact CZ-CD2 3.67Å; F199-W242 HydrophobicContact CZ-CD2 3.67Å; F199-W242 AromaticContact CZ-CE2 3.86Å; F199-W242 AromaticContact CZ-CE3 3.83Å; F199-W242 HydrophobicContact CZ-CE3 3.83Å; F199-W242 HydrophobicContact CZ-CG 4.14Å; F199-W242 HydrophobicContact CZ-CH2 4.4Å; F199-W242 HydrophobicContact CZ-CZ2 4.23Å; F199-W242 HydrophobicContact CZ-CZ3 4.2Å
200A92.5Very high92.3Very high0 Ų035.4 Ų35.40%020%0.196CC..EExtended strand (participates in β ladder)trans-65.9147.3155.700000109.5K172 Y215K172-A200 HydrophobicContact CB-CB 4.15Å; K172-A200 WeakPolarHBondContact O-CB 3.42Å; K172-A200 PolarHBondContact O-N 3.12Å; A200-Y215 WeakPolarHBondContact CB-O 3.46Å
201S89.1Confident91.7Very high0 Ų036.1 Ų36.10%020%0.2CC..EExtended strand (participates in β ladder)trans-84.8-14.3179.751.20000113.7Y215 N224 A227 D234S201-Y215 PolarHBondContact N-O 2.65Å; S201-N224 PolarHBondContact OG-OD1 3.16Å; S201-A227 VanDerWaalsContact OG-CB 3.26Å; S201-A227 WeakPolarHBondContact OG-CB 3.08Å; S201-D234 PolarHBondContact O-N 2.88Å
202C89.1Confident91.2Very high15 Ų1542.8 Ų42.810%0.10123%0.23CC..EExtended strand (participates in β ladder)trans-122.1150.5177.6-57.60000110.3Y215 V216 D232C202-Y215 PolarHBondContact N-O 3.42Å; C202-V216 HydrophobicContact CB-CG2 3.79Å; C202-D232 PolarHBondContact SG-O 2.91Å
203K91.6Very high90.6Very high122 Ų12245.1 Ų45.153%0.5324%0.243SC..EExtended strand (participates in β ladder)trans-55.6142.4175.9-75.8176.2-1771670112.6F171 D234F171-K203 HydrophobicContact CD1-CG 4.4Å; F171-K203 HydrophobicContact CE1-CG 3.83Å; F171-K203 HydrophobicContact CE2-CG 4.29Å; F171-K203 HydrophobicContact CZ-CG 3.76Å; K203-D234 PolarHBondContact N-OD2 2.82Å
204Y94.3Very high90.1Very high34 Ų3443.4 Ų43.413%0.13324%0.235CC..  trans-71.8134-178.8-174.6-100.3000111.7T163 P165 L167 G170 K172 A206 V216 H217T163-Y204 WeakPolarHBondContact CA-OH 3.07Å; T163-Y204 WeakPolarHBondContact O-CE1 3.34Å; T163-Y204 PolarHBondContact O-OH 3Å; P165-Y204 VanDerWaalsContact CD-CZ 3.47Å; P165-Y204 HydrophobicContact CG-CD1 4.04Å; P165-Y204 HydrophobicContact CG-CD2 4.02Å; P165-Y204 HydrophobicContact CG-CE1 3.78Å; P165-Y204 HydrophobicContact CG-CE2 3.75Å; P165-Y204 HydrophobicContact CG-CG 4.14Å; L167-Y204 HydrophobicContact CD1-CD1 4.1Å; L167-Y204 HydrophobicContact CD1-CG 4.46Å; L167-Y204 VanDerWaalsContact CD2-CB 3.48Å; L167-Y204 HydrophobicContact CD2-CD1 4.02Å; L167-Y204 HydrophobicContact CD2-CG 3.79Å; G170-Y204 WeakPolarHBondContact O-CB 3.38Å; G170-Y204 PolarHBondContact O-N 3.35Å; K172-Y204 HydrophobicContact CB-CD2 3.86Å; K172-Y204 HydrophobicContact CB-CG 4.39Å; K172-Y204 HydrophobicContact CD-CD2 3.99Å; K172-Y204 HydrophobicContact CD-CE2 4.05Å; K172-Y204 HydrophobicContact CG-CD2 4.39Å; Y204-A206 HydrophobicContact CE1-CB 4.42Å; Y204-V216 HydrophobicContact CD2-CG1 4.29Å; Y204-H217 AromaticContact CE2-ND1 3.84Å
205T92.3Very high89.6Confident55 Ų5545.2 Ų45.234%0.33724%0.241SC..  trans-133.2148.4167.1172.40000109.5D207 S210 V216 H217T205-D207 WeakPolarHBondContact OG1-CB 3.31Å; T205-D207 PolarHBondContact OG1-N 3.21Å; T205-D207 VanDerWaalsContact OG1-N 3.12Å; T205-S210 VanDerWaalsContact CG2-OG 3.29Å; T205-S210 WeakPolarHBondContact CG2-OG 3.05Å; T205-V216 HydrophobicContact CG2-CG1 4Å; T205-H217 PolarHBondContact O-CE1 3.22Å; T205-H217 VanDerWaalsContact O-CE1 3.25Å
206A87.5Confident89.1Confident67 Ų6745.5 Ų45.555%0.55424%0.243SC*.  trans-95.83.4174.600000112.6Y204 V208Y204-A206 HydrophobicContact CE1-CB 4.42Å; A206-V208 PolarHBondContact O-N 3.28Å
207D87Confident88.8Confident85 Ų8545.3 Ų45.346%0.45524%0.242SC..  trans-60.9135.9-179-171.21.3000111.1T205 S209 S210T205-D207 WeakPolarHBondContact OG1-CB 3.31Å; T205-D207 PolarHBondContact OG1-N 3.21Å; T205-D207 VanDerWaalsContact OG1-N 3.12Å; D207-S209 PolarHBondContact O-N 3.5Å; D207-S209 PolarHBondContact OD1-N 3.17Å; D207-S209 VanDerWaalsContact OD1-N 3.09Å; D207-S209 WeakPolarHBondContact OD2-CB 3.12Å; D207-S209 PolarHBondContact OD2-OG 3.18Å; D207-S210 PolarHBondContact O-N 3.35Å; D207-S210 PolarHBondContact O-OG 3.45Å
208V82.9Confident88.5Confident75 Ų7545.9 Ų45.946%0.45524%0.244SC..G310 helixtrans-62.2-31.1176.4177.10000110.7N145 A206 S210 L211N145-V208 WeakPolarHBondContact ND2-CG1 3.42Å; A206-V208 PolarHBondContact O-N 3.28Å; V208-S210 PolarHBondContact O-N 3.38Å; V208-L211 HydrophobicContact CG1-CD1 4.05Å; V208-L211 VanDerWaalsContact O-CG 3.31Å; V208-L211 WeakPolarHBondContact O-CG 3.3Å; V208-L211 PolarHBondContact O-N 3.13Å
209S84.2Confident88.3Confident75 Ų7545.7 Ų45.752%0.52425%0.246SC..G310 helixtrans-61.1-33.217876.90000112D207 L211 H212D207-S209 PolarHBondContact O-N 3.5Å; D207-S209 PolarHBondContact OD1-N 3.17Å; D207-S209 VanDerWaalsContact OD1-N 3.09Å; D207-S209 WeakPolarHBondContact OD2-CB 3.12Å; D207-S209 PolarHBondContact OD2-OG 3.18Å; S209-L211 PolarHBondContact O-N 3.04Å; S209-H212 PolarHBondContact O-CE1 3.11Å; S209-H212 PolarHBondContact O-ND1 3.1Å
210S85.9Confident87.9Confident12 Ų1246.6 Ų46.68%0.08425%0.251CS..G310 helixtrans-85.5-3.7-175.176.70000114.3T205 D207 V208 H212 N213 H217T205-S210 VanDerWaalsContact CG2-OG 3.29Å; T205-S210 WeakPolarHBondContact CG2-OG 3.05Å; D207-S210 PolarHBondContact O-N 3.35Å; D207-S210 PolarHBondContact O-OG 3.45Å; V208-S210 PolarHBondContact O-N 3.38Å; S210-H212 PolarHBondContact O-N 3.43Å; S210-N213 WeakPolarHBondContact O-CB 3.34Å; S210-N213 PolarHBondContact O-N 2.99Å; S210-H217 PolarHBondContact O-CD2 3.2Å; S210-H217 PolarHBondContact O-NE2 3Å; S210-H217 PolarHBondContact OG-NE2 3.45Å
211L85.8Confident87.3Confident21 Ų2149 Ų4911%0.1126%0.261CS..G310 helixtrans-58.7-19.1-173.2-68.7179.5000114.5V127 L143 V208 S209V127-L211 HydrophobicContact CG1-CD1 4.26Å; V127-L211 HydrophobicContact CG1-CD2 3.77Å; V127-L211 HydrophobicContact CG2-CD1 4.4Å; V127-L211 HydrophobicContact CG2-CD2 4.32Å; L143-L211 HydrophobicContact CB-CB 4.09Å; L143-L211 HydrophobicContact CB-CD2 4.08Å; V208-L211 HydrophobicContact CG1-CD1 4.05Å; V208-L211 VanDerWaalsContact O-CG 3.31Å; V208-L211 WeakPolarHBondContact O-CG 3.3Å; V208-L211 PolarHBondContact O-N 3.13Å; S209-L211 PolarHBondContact O-N 3.04Å
212H86.1Confident86.9Confident158 Ų15850.9 Ų50.973%0.73127%0.274SS*.G310 helixtrans-82.2-22.4175.168.9-81.6000113.1S209 S210 Q214S209-H212 PolarHBondContact O-CE1 3.11Å; S209-H212 PolarHBondContact O-ND1 3.1Å; S210-H212 PolarHBondContact O-N 3.43Å; H212-Q214 PolarHBondContact O-N 3.21Å
213N84.5Confident86.5Confident51 Ų5151.1 Ų51.127%0.27327%0.274SS..  trans-76103.6179-172.2-15.2000110.4S210 Y215 V216 H217S210-N213 WeakPolarHBondContact O-CB 3.34Å; S210-N213 PolarHBondContact O-N 2.99Å; N213-Y215 VanDerWaalsContact C-N 3.3Å; N213-Y215 PolarHBondContact O-N 3.22Å; N213-Y215 WeakPolarHBondContact OD1-CB 3.43Å; N213-Y215 WeakPolarHBondContact OD1-CD2 3.1Å; N213-Y215 PolarHBondContact OD1-N 2.98Å; N213-V216 HydrophobicContact CB-CG2 4.22Å; N213-H217 PolarHBondContact O-CD2 2.87Å; N213-H217 VanDerWaalsContact O-CD2 3.28Å
214Q85.6Confident86.1Confident79 Ų7945.3 Ų45.337%0.36925%0.249SC..Hα-helixtrans-70.4-25.7-178.3-68.4-174.5-9.700113.1I141 H212 V216 H217 L218 I223I141-Q214 PolarHBondContact O-NE2 3.2Å; H212-Q214 PolarHBondContact O-N 3.21Å; Q214-V216 VanDerWaalsContact C-N 3.27Å; Q214-V216 PolarHBondContact O-N 3.43Å; Q214-H217 PolarHBondContact O-N 2.96Å; Q214-L218 HydrophobicContact CB-CD1 4.01Å; Q214-L218 HydrophobicContact CB-CG 4.37Å; Q214-L218 HydrophobicContact CG-CD1 4.04Å; Q214-L218 VanDerWaalsContact O-CB 3.31Å; Q214-L218 WeakPolarHBondContact O-CB 3.41Å; Q214-L218 PolarHBondContact O-N 3.26Å; Q214-I223 HydrophobicContact CB-CG2 4.36Å
215Y84.4Confident85.4Confident68 Ų6848.5 Ų48.527%0.26726%0.264SS..Hα-helixtrans-72.3-20.6-176.9-55.9-65.7000113.4A200 S201 C202 N213 I223 A227 L230A200-Y215 WeakPolarHBondContact CB-O 3.46Å; S201-Y215 PolarHBondContact N-O 2.65Å; C202-Y215 PolarHBondContact N-O 3.42Å; N213-Y215 VanDerWaalsContact C-N 3.3Å; N213-Y215 PolarHBondContact O-N 3.22Å; N213-Y215 WeakPolarHBondContact OD1-CB 3.43Å; N213-Y215 WeakPolarHBondContact OD1-CD2 3.1Å; N213-Y215 PolarHBondContact OD1-N 2.98Å; Y215-I223 HydrophobicContact CD1-CG2 3.9Å; Y215-I223 HydrophobicContact CE1-CG2 3.86Å; Y215-A227 HydrophobicContact CD1-CB 3.5Å; Y215-A227 VanDerWaalsContact CD1-CB 3.5Å; Y215-A227 HydrophobicContact CE1-CB 3.6Å; Y215-A227 HydrophobicContact CG-CB 4.18Å; Y215-L230 HydrophobicContact CD2-CD1 4.41Å; Y215-L230 HydrophobicContact CE2-CD1 3.65Å
216V85.7Confident84.5Confident6 Ų650.3 Ų50.34%0.03627%0.271CS..Hα-helixtrans-84.3-40173.7174.90000111.1C202 Y204 T205 N213 Q214C202-V216 HydrophobicContact CB-CG2 3.79Å; Y204-V216 HydrophobicContact CD2-CG1 4.29Å; T205-V216 HydrophobicContact CG2-CG1 4Å; N213-V216 HydrophobicContact CB-CG2 4.22Å; Q214-V216 VanDerWaalsContact C-N 3.27Å; Q214-V216 PolarHBondContact O-N 3.43Å
217H90.9Very high83.7Confident2 Ų247.1 Ų47.11%0.00925%0.245CC..Hα-helixtrans-104.6-20.3-164.6-62-52.8000114.6L143 Y161 K172 Y204 T205 S210 N213 Q214L143-H217 HydrophobicContact CD1-CB 3.5Å; Y161-H217 PolarHBondContact OH-ND1 2.9Å; Y161-H217 VanDerWaalsContact OH-ND1 3.17Å; K172-H217 PolarHBondContact NZ-O 3.15Å; Y204-H217 AromaticContact CE2-ND1 3.84Å; T205-H217 PolarHBondContact O-CE1 3.22Å; T205-H217 VanDerWaalsContact O-CE1 3.25Å; S210-H217 PolarHBondContact O-CD2 3.2Å; S210-H217 PolarHBondContact O-NE2 3Å; S210-H217 PolarHBondContact OG-NE2 3.45Å; N213-H217 PolarHBondContact O-CD2 2.87Å; N213-H217 VanDerWaalsContact O-CD2 3.28Å; Q214-H217 PolarHBondContact O-N 2.96Å
218L90.1Very high82.4Confident11 Ų1145.1 Ų45.16%0.05824%0.241CC..  trans-111.5133.2179.7-53.4-176.1000110.4I129 I141 Q214 I223 N224I129-L218 HydrophobicContact CD1-CD2 4.27Å; I141-L218 HydrophobicContact CB-CD1 4.26Å; I141-L218 HydrophobicContact CG2-CD1 4.28Å; I141-L218 HydrophobicContact CG2-CD2 3.87Å; Q214-L218 HydrophobicContact CB-CD1 4.01Å; Q214-L218 HydrophobicContact CB-CG 4.37Å; Q214-L218 HydrophobicContact CG-CD1 4.04Å; Q214-L218 VanDerWaalsContact O-CB 3.31Å; Q214-L218 WeakPolarHBondContact O-CB 3.41Å; Q214-L218 PolarHBondContact O-N 3.26Å; L218-I223 HydrophobicContact CB-CD1 4.17Å; L218-I223 HydrophobicContact CD1-CD1 3.6Å; L218-N224 PolarHBondContact O-ND2 2.94Å; L218-N224 PolarHBondContact O-OD1 2.98Å
219T89.6Confident81.2Confident17 Ų1749 Ų4910%0.10426%0.258CS..  trans-102.54.2-176.5540000112.5K172 D174 R198 F221K172-T219 HydrophobicContact CD-CG2 4.4Å; K172-T219 HydrophobicContact CG-CG2 4.07Å; D174-T219 HydrophobicContact CB-CG2 4.45Å; D174-T219 WeakPolarHBondContact OD1-CB 3.45Å; D174-T219 PolarHBondContact OD1-OG1 2.91Å; R198-T219 WeakPolarHBondContact CB-O 3.34Å; T219-F221 PolarHBondContact O-N 3.29Å; T219-F221 VanDerWaalsContact O-N 3.16Å
220N86.4Confident80.3Confident25 Ų2549.4 Ų49.413%0.13426%0.255CS..  trans-65.4119.8-179.8-67110.1000110.2S222 I223 N224N220-S222 PolarHBondContact O-N 3.32Å; N220-I223 HydrophobicContact CB-CD1 4.31Å; N220-I223 PolarHBondContact O-N 3.15Å; N220-N224 PolarHBondContact O-N 3.17Å
221F80.7Confident78.8Confident51 Ų5154.1 Ų54.122%0.22429%0.294CS..Hα-helixtrans-51.2-32.7177.7-176.4-107.8000113.9T219 I223 K225 K241T219-F221 PolarHBondContact O-N 3.29Å; T219-F221 VanDerWaalsContact O-N 3.16Å; F221-I223 PolarHBondContact O-N 3.42Å; F221-K225 HydrophobicContact CD1-CB 4.43Å; F221-K225 HydrophobicContact CD1-CD 4.16Å; F221-K225 HydrophobicContact CD2-CB 4.37Å; F221-K225 HydrophobicContact CE1-CB 4.09Å; F221-K225 HydrophobicContact CE1-CD 3.9Å; F221-K225 HydrophobicContact CE2-CB 4.04Å; F221-K225 HydrophobicContact CZ-CB 3.89Å; F221-K225 HydrophobicContact CZ-CD 4.49Å; F221-K225 WeakPolarHBondContact O-CB 3.38Å; F221-K225 WeakPolarHBondContact O-CG 3.44Å; F221-K225 PolarHBondContact O-N 2.91Å; F221-K241 HydrophobicContact CD2-CD 4.41Å; F221-K241 HydrophobicContact CD2-CG 4.35Å; F221-K241 VanDerWaalsContact CG-CE 3.46Å
222S79.9Confident77.8Confident39 Ų3960 Ų6027%0.27333%0.326SS..Hα-helixtrans-64.2-24.8177.553.20000114.5R137 N220R137-S222 WeakPolarHBondContact CB-OG 3.44Å; N220-S222 PolarHBondContact O-N 3.32Å
223I82.1Confident76.8Confident20 Ų2054.2 Ų54.210%0.10330%0.301CS..Hα-helixtrans-88-53.1176.8-67.5171.3000108.7Q214 Y215 L218 N220 F221 K225 N226Q214-I223 HydrophobicContact CB-CG2 4.36Å; Y215-I223 HydrophobicContact CD1-CG2 3.9Å; Y215-I223 HydrophobicContact CE1-CG2 3.86Å; L218-I223 HydrophobicContact CB-CD1 4.17Å; L218-I223 HydrophobicContact CD1-CD1 3.6Å; N220-I223 HydrophobicContact CB-CD1 4.31Å; N220-I223 PolarHBondContact O-N 3.15Å; F221-I223 PolarHBondContact O-N 3.42Å; I223-K225 PolarHBondContact O-N 3.38Å; I223-N226 PolarHBondContact O-N 3.25Å
224N83Confident76.2Confident0 Ų055.9 Ų55.90%031%0.311CS..Hα-helixtrans-72.7-26-172.3-64-34.4000114F199 S201 L218 N220 N226 A227 L240F199-N224 PolarHBondContact O-ND2 3.27Å; S201-N224 PolarHBondContact OG-OD1 3.16Å; L218-N224 PolarHBondContact O-ND2 2.94Å; L218-N224 PolarHBondContact O-OD1 2.98Å; N220-N224 PolarHBondContact O-N 3.17Å; N224-N226 PolarHBondContact O-N 3.15Å; N224-A227 WeakPolarHBondContact O-CB 3.44Å; N224-A227 PolarHBondContact O-N 2.79Å; N224-L240 HydrophobicContact CB-CD1 4.01Å
225K78.4Confident75.6Confident101 Ų10153.3 Ų53.344%0.43930%0.299SS..THydrogen-bonded Turntrans-63.4-26.8176.175.9-177.2-172.51180113.4F221 I223 A227F221-K225 HydrophobicContact CD1-CB 4.43Å; F221-K225 HydrophobicContact CD1-CD 4.16Å; F221-K225 HydrophobicContact CD2-CB 4.37Å; F221-K225 HydrophobicContact CE1-CB 4.09Å; F221-K225 HydrophobicContact CE1-CD 3.9Å; F221-K225 HydrophobicContact CE2-CB 4.04Å; F221-K225 HydrophobicContact CZ-CB 3.89Å; F221-K225 HydrophobicContact CZ-CD 4.49Å; F221-K225 WeakPolarHBondContact O-CB 3.38Å; F221-K225 WeakPolarHBondContact O-CG 3.44Å; F221-K225 PolarHBondContact O-N 2.91Å; I223-K225 PolarHBondContact O-N 3.38Å; K225-A227 VanDerWaalsContact C-N 3.3Å
226N73.3Confident74.9Confident93 Ų9355.5 Ų55.550%0.49732%0.315SS..THydrogen-bonded Turntrans-88.5-5.4178.4-67.40.6000111.2I223 N224 A228I223-N226 PolarHBondContact O-N 3.25Å; N224-N226 PolarHBondContact O-N 3.15Å; N226-A228 VanDerWaalsContact C-N 3.33Å
227A70.6Confident74.3Confident0 Ų058.2 Ų58.20%033%0.334CS..THydrogen-bonded Turntrans-76-26.8178.500000110.9S201 Y215 N224 K225 D229 L230 V233S201-A227 VanDerWaalsContact OG-CB 3.26Å; S201-A227 WeakPolarHBondContact OG-CB 3.08Å; Y215-A227 HydrophobicContact CD1-CB 3.5Å; Y215-A227 VanDerWaalsContact CD1-CB 3.5Å; Y215-A227 HydrophobicContact CE1-CB 3.6Å; Y215-A227 HydrophobicContact CG-CB 4.18Å; N224-A227 WeakPolarHBondContact O-CB 3.44Å; N224-A227 PolarHBondContact O-N 2.79Å; K225-A227 VanDerWaalsContact C-N 3.3Å; A227-D229 PolarHBondContact O-N 2.65Å; A227-L230 WeakPolarHBondContact O-CA 3.39Å; A227-L230 VanDerWaalsContact O-CB 3.26Å; A227-L230 WeakPolarHBondContact O-CB 3.42Å; A227-L230 PolarHBondContact O-N 2.89Å; A227-V233 VanDerWaalsContact C-CG2 3.47Å; A227-V233 HydrophobicContact CB-CG2 3.58Å; A227-V233 WeakPolarHBondContact O-CG2 3.46Å
228A60Low73.6Confident44 Ų4462 Ų6236%0.36436%0.361SS..THydrogen-bonded Turntrans-54-23.8-175.200000114.6N226 L230N226-A228 VanDerWaalsContact C-N 3.33Å; A228-L230 VanDerWaalsContact C-N 3.34Å
229D58.6Low73.1Confident155 Ų15566.1 Ų66.183%0.82938%0.38SS*.THydrogen-bonded Turntrans-86.5-1.9176.6-56.5-36.1000113.4A227A227-D229 PolarHBondContact O-N 2.65Å
230L64.2Low73.1Confident85 Ų8565.4 Ų65.445%0.44538%0.376SS..SBendtrans-95.7135.6178.8-60.7171.5000109.8Y215 A227 A228 D232 V233Y215-L230 HydrophobicContact CD2-CD1 4.41Å; Y215-L230 HydrophobicContact CE2-CD1 3.65Å; A227-L230 WeakPolarHBondContact O-CA 3.39Å; A227-L230 VanDerWaalsContact O-CB 3.26Å; A227-L230 WeakPolarHBondContact O-CB 3.42Å; A227-L230 PolarHBondContact O-N 2.89Å; A228-L230 VanDerWaalsContact C-N 3.34Å; L230-D232 PolarHBondContact O-N 2.81Å; L230-V233 HydrophobicContact CB-CG2 4.38Å; L230-V233 PolarHBondContact O-N 2.78Å
231A55Low73.4Confident111 Ų11164.6 Ų64.692%0.91737%0.371SS*.THydrogen-bonded Turntrans-60-15.2-172.500000115.7
232D64.1Low74Confident144 Ų14464.8 Ų64.877%0.7737%0.37SS*.THydrogen-bonded Turntrans-108.328.4-175.8-77.4-26.6000113.2C202 L230C202-D232 PolarHBondContact SG-O 2.91Å; L230-D232 PolarHBondContact O-N 2.81Å
233V65.8Low74.8Confident36 Ų3664 Ų6422%0.21836%0.364CS..  trans-96.9120.6176.4171.90000111.4A227 L230 L235A227-V233 VanDerWaalsContact C-CG2 3.47Å; A227-V233 HydrophobicContact CB-CG2 3.58Å; A227-V233 WeakPolarHBondContact O-CG2 3.46Å; L230-V233 HydrophobicContact CB-CG2 4.38Å; L230-V233 PolarHBondContact O-N 2.78Å; V233-L235 WeakPolarHBondContact CG1-O 3.33Å
234D71.3Confident75.5Confident87 Ų8763.5 Ų63.547%0.46536%0.361SS..  trans-83.8-19.8-176.6-60.8-66.6000113.1F171 S201 K203F171-D234 HydrophobicContact CE1-CB 3.7Å; F171-D234 HydrophobicContact CZ-CB 3.44Å; F171-D234 VanDerWaalsContact CZ-CB 3.44Å; S201-D234 PolarHBondContact O-N 2.88Å; K203-D234 PolarHBondContact N-OD2 2.82Å
235L72.8Confident76.1Confident24 Ų2466.3 Ų66.313%0.12638%0.381CS..SBendtrans-123.5132.1-175-70.2178.1000112.2F171 F199 V233 E239 L240F171-L235 HydrophobicContact CB-CD1 4.43Å; F171-L235 HydrophobicContact CD1-CD1 3.64Å; F171-L235 HydrophobicContact CD1-CG 4.15Å; F171-L235 HydrophobicContact CD2-CD1 3.81Å; F171-L235 HydrophobicContact CD2-CD2 4.44Å; F171-L235 HydrophobicContact CD2-CG 4.27Å; F171-L235 HydrophobicContact CE1-CD1 3.77Å; F171-L235 HydrophobicContact CE1-CG 3.73Å; F171-L235 HydrophobicContact CE2-CD1 3.93Å; F171-L235 HydrophobicContact CE2-CD2 3.91Å; F171-L235 HydrophobicContact CE2-CG 3.86Å; F171-L235 HydrophobicContact CG-CD1 3.67Å; F171-L235 HydrophobicContact CG-CG 4.41Å; F171-L235 HydrophobicContact CZ-CD1 3.93Å; F171-L235 HydrophobicContact CZ-CD2 4.03Å; F171-L235 HydrophobicContact CZ-CG 3.58Å; F199-L235 HydrophobicContact CB-CD1 4.25Å; V233-L235 WeakPolarHBondContact CG1-O 3.33Å; L235-E239 HydrophobicContact CB-CB 4.47Å; L235-E239 HydrophobicContact CD2-CB 4.16Å; L235-E239 VanDerWaalsContact CD2-OE2 3.27Å; L235-E239 WeakPolarHBondContact CD2-OE2 3.01Å; L235-L240 HydrophobicContact CB-CD2 3.91Å; L235-L240 HydrophobicContact CD1-CD2 4.22Å
236D70.7Confident77Confident114 Ų11465.9 Ų65.961%0.6138%0.38SS*.  trans-68.2155.3171.8-90.7-23.6000112.1S238 E239 L240D236-S238 PolarHBondContact O-N 2.79Å; D236-E239 PolarHBondContact O-N 3.15Å; D236-L240 PolarHBondContact O-N 3.01Å
237S72.8Confident78.1Confident63 Ų6361.4 Ų61.444%0.44136%0.357SS..THydrogen-bonded Turntrans-58.9-25.4-176.3720000114.6
238S75.8Confident79.3Confident81 Ų8163.6 Ų63.657%0.56637%0.365SS*.THydrogen-bonded Turntrans-70.8-33.3174.148.10000112.4D236D236-S238 PolarHBondContact O-N 2.79Å
239E80.4Confident81.1Confident98 Ų9865.2 Ų65.246%0.45837%0.374SS..THydrogen-bonded Turntrans-84.5-14.1-177.9-57.3-171.6137.400112.7L235 D236 K241L235-E239 HydrophobicContact CB-CB 4.47Å; L235-E239 HydrophobicContact CD2-CB 4.16Å; L235-E239 VanDerWaalsContact CD2-OE2 3.27Å; L235-E239 WeakPolarHBondContact CD2-OE2 3.01Å; D236-E239 PolarHBondContact O-N 3.15Å; E239-K241 PolarHBondContact O-N 3.09Å
240L88.4Confident82.9Confident3 Ų359.5 Ų59.52%0.01634%0.341CS..THydrogen-bonded Turntrans-67.6-5.3179-65.1179.8000114.6F199 N224 L235 D236F199-L240 HydrophobicContact CB-CD2 4.44Å; F199-L240 PolarHBondContact N-O 2.96Å; N224-L240 HydrophobicContact CB-CD1 4.01Å; L235-L240 HydrophobicContact CB-CD2 3.91Å; L235-L240 HydrophobicContact CD1-CD2 4.22Å; D236-L240 PolarHBondContact O-N 3.01Å
241K92.6Very high84.4Confident8 Ų855.5 Ų55.54%0.03532%0.32CS..EExtended strand (participates in β ladder)trans-140.3137175.6-61.8-173.9-161154.70112.7I196 V197 F221 E239 S324 N325 V327 D328I196-K241 HydrophobicContact CG2-CB 4.31Å; I196-K241 HydrophobicContact CG2-CD 3.91Å; I196-K241 HydrophobicContact CG2-CG 4.22Å; V197-K241 WeakPolarHBondContact O-CA 3.45Å; F221-K241 HydrophobicContact CD2-CD 4.41Å; F221-K241 HydrophobicContact CD2-CG 4.35Å; F221-K241 VanDerWaalsContact CG-CE 3.46Å; E239-K241 PolarHBondContact O-N 3.09Å; K241-S324 PolarHBondContact NZ-OG 2.93Å; K241-N325 PolarHBondContact NZ-ND2 2.86Å; K241-V327 HydrophobicContact CB-CB 4.48Å; K241-V327 HydrophobicContact CB-CG1 4.19Å; K241-D328 IonicContact NZ-OD1 3.66Å; K241-D328 PolarHBondContact NZ-OD1 3.42Å; K241-D328 VanDerWaalsContact NZ-OD1 3.1Å; K241-D328 IonicContact NZ-OD2 3.65Å; K241-D328 PolarHBondContact NZ-OD2 3.37Å
242W94.7Very high86.3Confident55 Ų5553.6 Ų53.621%0.20830%0.3CS..EExtended strand (participates in β ladder)trans-115.9159.2164.2-64.6-8.4000110.9I168 V197 F199 Q246 Y250I168-W242 HydrophobicContact CD1-CZ3 4.01Å; I168-W242 HydrophobicContact CG2-CH2 3.62Å; I168-W242 HydrophobicContact CG2-CZ2 4.34Å; I168-W242 HydrophobicContact CG2-CZ3 4.09Å; V197-W242 HydrophobicContact CB-CB 4.12Å; V197-W242 PolarHBondContact N-O 3.32Å; V197-W242 PolarHBondContact O-N 3.24Å; V197-W242 VanDerWaalsContact O-N 3.09Å; F199-W242 HydrophobicContact CE2-CB 4.22Å; F199-W242 AromaticContact CE2-CD1 3.84Å; F199-W242 AromaticContact CE2-CD2 3.68Å; F199-W242 HydrophobicContact CE2-CD2 3.68Å; F199-W242 AromaticContact CE2-CE2 3.92Å; F199-W242 HydrophobicContact CE2-CE3 4.26Å; F199-W242 AromaticContact CE2-CG 3.64Å; F199-W242 HydrophobicContact CE2-CG 3.64Å; F199-W242 AromaticContact CE2-NE1 3.95Å; F199-W242 AromaticContact CZ-CD2 3.67Å; F199-W242 HydrophobicContact CZ-CD2 3.67Å; F199-W242 AromaticContact CZ-CE2 3.86Å; F199-W242 AromaticContact CZ-CE3 3.83Å; F199-W242 HydrophobicContact CZ-CE3 3.83Å; F199-W242 HydrophobicContact CZ-CG 4.14Å; F199-W242 HydrophobicContact CZ-CH2 4.4Å; F199-W242 HydrophobicContact CZ-CZ2 4.23Å; F199-W242 HydrophobicContact CZ-CZ3 4.2Å; W242-Q246 HydrophobicContact CB-CB 4.01Å; W242-Q246 HydrophobicContact CE3-CB 4.47Å; W242-Q246 HydrophobicContact CG-CB 4.38Å; W242-Y250 AromaticContact CH2-CD2 3.92Å; W242-Y250 HydrophobicContact CH2-CD2 3.92Å; W242-Y250 HydrophobicContact CH2-CE2 4.39Å; W242-Y250 HydrophobicContact CH2-CG 4.19Å; W242-Y250 HydrophobicContact CZ3-CD2 4.15Å; W242-Y250 AromaticContact CZ3-CG 3.93Å; W242-Y250 HydrophobicContact CZ3-CG 3.93Å
243T96.1Very high87.9Confident23 Ų2354 Ų5414%0.14130%0.297CS..EExtended strand (participates in β ladder)trans-69.2162159.869.10000109.9E194 S245 Q246 F247 V327 V331E194-T243 WeakPolarHBondContact OE2-CB 3.49Å; T243-S245 VanDerWaalsContact C-N 3.32Å; T243-Q246 PolarHBondContact O-N 3.02Å; T243-Q246 WeakPolarHBondContact OG1-CG 3.33Å; T243-Q246 PolarHBondContact OG1-N 2.89Å; T243-Q246 PolarHBondContact OG1-OE1 3.37Å; T243-F247 PolarHBondContact O-N 3Å; T243-V327 HydrophobicContact CG2-CG1 4.01Å; T243-V331 HydrophobicContact CG2-CG2 4.13Å
244L96.8Very high89.2Confident8 Ų858.1 Ų58.14%0.04231%0.312CS..Hα-helixtrans-69.2-34.2176.9-17167.9000111.2L175 L177 E194 G195 V197 Q246 F247 W248L175-L244 HydrophobicContact CD1-CD1 4.46Å; L175-L244 HydrophobicContact CD2-CD1 4.17Å; L177-L244 HydrophobicContact CD2-CD1 3.9Å; L177-L244 HydrophobicContact CD2-CD2 3.6Å; L177-L244 HydrophobicContact CD2-CG 4.38Å; E194-L244 WeakPolarHBondContact OE2-CB 3.37Å; E194-L244 PolarHBondContact OE2-N 2.75Å; G195-L244 VanDerWaalsContact N-CB 3.32Å; G195-L244 PolarHBondContact O-N 2.87Å; V197-L244 HydrophobicContact CG2-CD1 4.46Å; L244-Q246 VanDerWaalsContact C-N 3.34Å; L244-Q246 PolarHBondContact O-N 2.92Å; L244-F247 HydrophobicContact CD1-CD1 4.05Å; L244-F247 WeakPolarHBondContact O-CB 3.31Å; L244-F247 PolarHBondContact O-N 3.1Å; L244-W248 HydrophobicContact CD1-CZ2 4.09Å; L244-W248 HydrophobicContact CD2-CZ2 4.37Å; L244-W248 HydrophobicContact CG-CZ2 4.29Å; L244-W248 PolarHBondContact O-N 3.39Å
245S96.1Very high90.3Very high59 Ų5957.2 Ų57.241%0.41332%0.324SS..Hα-helixtrans-61.9-39.9173.9-62.70000112.7E194 T243 F247 W248 S249E194-S245 WeakPolarHBondContact OE1-CB 3.39Å; E194-S245 PolarHBondContact OE1-N 3.14Å; E194-S245 PolarHBondContact OE1-OG 3.06Å; T243-S245 VanDerWaalsContact C-N 3.32Å; S245-F247 VanDerWaalsContact C-N 3.28Å; S245-F247 PolarHBondContact O-N 3.19Å; S245-W248 PolarHBondContact O-N 2.93Å; S245-S249 PolarHBondContact O-N 3.25Å; S245-S249 PolarHBondContact O-OG 3.4Å
246Q96.2Very high91.3Very high92 Ų9258 Ų5843%0.4333%0.327SS..Hα-helixtrans-60-41.1175.2-78.1173.5-46.800111.5W242 T243 L244 S249 Y250W242-Q246 HydrophobicContact CB-CB 4.01Å; W242-Q246 HydrophobicContact CE3-CB 4.47Å; W242-Q246 HydrophobicContact CG-CB 4.38Å; T243-Q246 PolarHBondContact O-N 3.02Å; T243-Q246 WeakPolarHBondContact OG1-CG 3.33Å; T243-Q246 PolarHBondContact OG1-N 2.89Å; T243-Q246 PolarHBondContact OG1-OE1 3.37Å; L244-Q246 VanDerWaalsContact C-N 3.34Å; L244-Q246 PolarHBondContact O-N 2.92Å; Q246-S249 PolarHBondContact O-N 2.96Å; Q246-Y250 WeakPolarHBondContact O-CB 3.39Å; Q246-Y250 PolarHBondContact O-N 2.58Å
247F97.1Very high92.1Very high0 Ų056.7 Ų56.70%032%0.32CS..Hα-helixtrans-63.5-44.6175.4168.2-105.7000112.8I168 F173 L175 V197 T243 L244 S245 Y250 L251 L261 I304I168-F247 HydrophobicContact CD1-CD2 3.84Å; I168-F247 HydrophobicContact CD1-CE2 4.03Å; F173-F247 HydrophobicContact CE2-CD2 4.25Å; F173-F247 AromaticContact CE2-CE2 3.68Å; F173-F247 HydrophobicContact CE2-CE2 3.68Å; F173-F247 HydrophobicContact CE2-CZ 4.16Å; F173-F247 HydrophobicContact CZ-CD2 4.4Å; F173-F247 AromaticContact CZ-CE2 3.6Å; F173-F247 HydrophobicContact CZ-CE2 3.6Å; F173-F247 HydrophobicContact CZ-CZ 4.22Å; L175-F247 HydrophobicContact CD1-CE1 3.98Å; L175-F247 HydrophobicContact CD1-CZ 4.42Å; L175-F247 HydrophobicContact CD2-CD1 4.07Å; L175-F247 HydrophobicContact CD2-CE1 4.1Å; L175-F247 HydrophobicContact CD2-CG 4.3Å; L175-F247 HydrophobicContact CD2-CZ 4.37Å; V197-F247 HydrophobicContact CG2-CB 3.61Å; V197-F247 HydrophobicContact CG2-CG 4.07Å; T243-F247 PolarHBondContact O-N 3Å; L244-F247 HydrophobicContact CD1-CD1 4.05Å; L244-F247 WeakPolarHBondContact O-CB 3.31Å; L244-F247 PolarHBondContact O-N 3.1Å; S245-F247 VanDerWaalsContact C-N 3.28Å; S245-F247 PolarHBondContact O-N 3.19Å; F247-Y250 PolarHBondContact O-N 3.34Å; F247-L251 HydrophobicContact CD1-CD1 4.47Å; F247-L251 HydrophobicContact CD2-CG 4.48Å; F247-L251 HydrophobicContact CE1-CD1 3.73Å; F247-L251 HydrophobicContact CE1-CG 4.48Å; F247-L251 HydrophobicContact CE2-CD1 3.95Å; F247-L251 HydrophobicContact CE2-CD2 4.23Å; F247-L251 HydrophobicContact CE2-CG 4Å; F247-L251 HydrophobicContact CZ-CD1 3.42Å; F247-L251 VanDerWaalsContact CZ-CD1 3.42Å; F247-L251 HydrophobicContact CZ-CD2 4.44Å; F247-L251 HydrophobicContact CZ-CG 4.01Å; F247-L251 PolarHBondContact O-N 3.27Å; F247-L261 HydrophobicContact CZ-CD2 4.4Å; F247-I304 HydrophobicContact CE1-CD1 4.13Å; F247-I304 HydrophobicContact CZ-CD1 3.57Å
248W96.2Very high93.1Very high46 Ų4655 Ų5517%0.17431%0.306CS..Hα-helixtrans-63-42.4176.2-64135.3000112.5L244 S245 Y250 L251 S252 N258 L261 V262 I265L244-W248 HydrophobicContact CD1-CZ2 4.09Å; L244-W248 HydrophobicContact CD2-CZ2 4.37Å; L244-W248 HydrophobicContact CG-CZ2 4.29Å; L244-W248 PolarHBondContact O-N 3.39Å; S245-W248 PolarHBondContact O-N 2.93Å; W248-Y250 VanDerWaalsContact C-N 3.33Å; W248-Y250 PolarHBondContact O-N 3.45Å; W248-L251 HydrophobicContact CE3-CD1 4.02Å; W248-L251 HydrophobicContact CZ3-CD1 4.02Å; W248-L251 PolarHBondContact O-N 2.78Å; W248-S252 PolarHBondContact O-N 3.25Å; W248-S252 PolarHBondContact O-OG 3.5Å; W248-N258 HydrophobicContact CE3-CB 3.93Å; W248-N258 HydrophobicContact CZ3-CB 4.38Å; W248-N258 PolarHBondContact O-ND2 3.18Å; W248-L261 HydrophobicContact CH2-CD2 4.27Å; W248-L261 HydrophobicContact CH2-CG 4.28Å; W248-L261 HydrophobicContact CZ3-CD2 3.85Å; W248-L261 HydrophobicContact CZ3-CG 4.2Å; W248-V262 HydrophobicContact CH2-CG2 3.69Å; W248-V262 HydrophobicContact CZ2-CG2 3.76Å; W248-V262 HydrophobicContact CZ3-CG2 4.11Å; W248-I265 HydrophobicContact CH2-CD1 3.99Å
249S96.7Very high93.8Very high78 Ų7854.4 Ų54.455%0.54530%0.302SS..Hα-helixtrans-60.8-42.7175.5-64.80000111.9S245 Q246 L251 S252 E253S245-S249 PolarHBondContact O-N 3.25Å; S245-S249 PolarHBondContact O-OG 3.4Å; Q246-S249 PolarHBondContact O-N 2.96Å; S249-L251 PolarHBondContact O-N 3.21Å; S249-S252 PolarHBondContact O-N 2.9Å; S249-E253 WeakPolarHBondContact O-CB 3.32Å; S249-E253 PolarHBondContact O-N 3.2Å
250Y96.6Very high94.4Very high35 Ų3553.2 Ų53.214%0.13730%0.302CS..Hα-helixtrans-60.2-45176.5176.9-91000112.4I168 W242 Q246 F247 W248 E253 K254I168-Y250 HydrophobicContact CB-CE1 4.4Å; I168-Y250 HydrophobicContact CD1-CD1 4.17Å; I168-Y250 HydrophobicContact CD1-CE1 4.24Å; I168-Y250 HydrophobicContact CG1-CD1 4.2Å; I168-Y250 HydrophobicContact CG1-CE1 3.76Å; I168-Y250 HydrophobicContact CG2-CE1 4.1Å; I168-Y250 HydrophobicContact CG2-CE2 4.16Å; W242-Y250 AromaticContact CH2-CD2 3.92Å; W242-Y250 HydrophobicContact CH2-CD2 3.92Å; W242-Y250 HydrophobicContact CH2-CE2 4.39Å; W242-Y250 HydrophobicContact CH2-CG 4.19Å; W242-Y250 HydrophobicContact CZ3-CD2 4.15Å; W242-Y250 AromaticContact CZ3-CG 3.93Å; W242-Y250 HydrophobicContact CZ3-CG 3.93Å; Q246-Y250 WeakPolarHBondContact O-CB 3.39Å; Q246-Y250 PolarHBondContact O-N 2.58Å; F247-Y250 PolarHBondContact O-N 3.34Å; W248-Y250 VanDerWaalsContact C-N 3.33Å; W248-Y250 PolarHBondContact O-N 3.45Å; Y250-E253 PolarHBondContact O-N 2.82Å; Y250-K254 HydrophobicContact CD1-CG 4.42Å; Y250-K254 HydrophobicContact CE1-CG 3.96Å; Y250-K254 WeakPolarHBondContact O-CG 3.47Å; Y250-K254 PolarHBondContact O-N 2.63Å; Y250-K254 VanDerWaalsContact O-N 3.08Å
251L96Very high94.7Very high0 Ų053.3 Ų53.30%030%0.302CS..Hα-helixtrans-63.6-43.6177.7-72.8-172.9000112F166 F247 W248 S249 E253 K254 G255 I256 N258 L261F166-L251 HydrophobicContact CE1-CD2 3.67Å; F166-L251 HydrophobicContact CZ-CD2 3.85Å; F247-L251 HydrophobicContact CD1-CD1 4.47Å; F247-L251 HydrophobicContact CD2-CG 4.48Å; F247-L251 HydrophobicContact CE1-CD1 3.73Å; F247-L251 HydrophobicContact CE1-CG 4.48Å; F247-L251 HydrophobicContact CE2-CD1 3.95Å; F247-L251 HydrophobicContact CE2-CD2 4.23Å; F247-L251 HydrophobicContact CE2-CG 4Å; F247-L251 HydrophobicContact CZ-CD1 3.42Å; F247-L251 VanDerWaalsContact CZ-CD1 3.42Å; F247-L251 HydrophobicContact CZ-CD2 4.44Å; F247-L251 HydrophobicContact CZ-CG 4.01Å; F247-L251 PolarHBondContact O-N 3.27Å; W248-L251 HydrophobicContact CE3-CD1 4.02Å; W248-L251 HydrophobicContact CZ3-CD1 4.02Å; W248-L251 PolarHBondContact O-N 2.78Å; S249-L251 PolarHBondContact O-N 3.21Å; L251-E253 VanDerWaalsContact C-N 3.31Å; L251-E253 PolarHBondContact O-N 3.42Å; L251-K254 CarbonylContact O-C 3.54Å; L251-K254 PolarHBondContact O-N 2.88Å; L251-K254 VanDerWaalsContact O-N 3.1Å; L251-G255 PolarHBondContact O-N 3.45Å; L251-I256 HydrophobicContact CB-CB 4.21Å; L251-I256 HydrophobicContact CB-CG2 4.44Å; L251-I256 HydrophobicContact CD2-CB 4.4Å; L251-I256 HydrophobicContact CD2-CD1 3.8Å; L251-I256 HydrophobicContact CD2-CG2 4.4Å; L251-I256 WeakPolarHBondContact O-CB 3.07Å; L251-I256 PolarHBondContact O-N 2.72Å; L251-N258 WeakPolarHBondContact CB-OD1 3.41Å; L251-N258 WeakPolarHBondContact CD1-OD1 3.38Å; L251-L261 HydrophobicContact CD1-CD2 3.95Å
252S95.6Very high94.8Very high71 Ų7155.3 Ų55.350%0.49732%0.315SS..Hα-helixtrans-59.2-42.6175.4-63.20000111.8W248 S249 K254 G255 N258W248-S252 PolarHBondContact O-N 3.25Å; W248-S252 PolarHBondContact O-OG 3.5Å; S249-S252 PolarHBondContact O-N 2.9Å; S252-K254 VanDerWaalsContact C-N 3.26Å; S252-K254 PolarHBondContact O-N 2.93Å; S252-G255 PolarHBondContact O-N 2.94Å; S252-N258 PolarHBondContact OG-ND2 2.92Å
253E96.3Very high94.8Very high154 Ų15457.2 Ų57.272%0.7233%0.332SS*.Hα-helixtrans-62.8-33.1176.6-169-170.7153.900112.1S249 Y250 L251 G255S249-E253 WeakPolarHBondContact O-CB 3.32Å; S249-E253 PolarHBondContact O-N 3.2Å; Y250-E253 PolarHBondContact O-N 2.82Å; L251-E253 VanDerWaalsContact C-N 3.31Å; L251-E253 PolarHBondContact O-N 3.42Å; E253-G255 PolarHBondContact O-N 3.05Å
254K94Very high94.7Very high121 Ų12160.3 Ų60.353%0.52634%0.344SS..THydrogen-bonded Turntrans-79.73.4172.8-64.5-60179.7-166.70114.1Y250 L251 S252 I256Y250-K254 HydrophobicContact CD1-CG 4.42Å; Y250-K254 HydrophobicContact CE1-CG 3.96Å; Y250-K254 WeakPolarHBondContact O-CG 3.47Å; Y250-K254 PolarHBondContact O-N 2.63Å; Y250-K254 VanDerWaalsContact O-N 3.08Å; L251-K254 CarbonylContact O-C 3.54Å; L251-K254 PolarHBondContact O-N 2.88Å; L251-K254 VanDerWaalsContact O-N 3.1Å; S252-K254 VanDerWaalsContact C-N 3.26Å; S252-K254 PolarHBondContact O-N 2.93Å; K254-I256 VanDerWaalsContact C-N 3.28Å; K254-I256 HydrophobicContact CB-CD1 4.32Å; K254-I256 HydrophobicContact CB-CG1 4.45Å; K254-I256 PolarHBondContact O-N 3.41Å
255G94.7Very high94.8Very high69 Ų6960.1 Ų60.171%0.71134%0.343SS*.THydrogen-bonded Turntrans73.418.1-178.800000114L251 S252 E253L251-G255 PolarHBondContact O-N 3.45Å; S252-G255 PolarHBondContact O-N 2.94Å; E253-G255 PolarHBondContact O-N 3.05Å
256I93.5Very high94.8Very high39 Ų3959.7 Ų59.720%0.234%0.336CS..  trans-89.3125.7176.9-64.4169.7000108.8F166 L251 K254 N258 L308F166-I256 HydrophobicContact CE2-CD1 4.12Å; F166-I256 HydrophobicContact CZ-CD1 3.83Å; L251-I256 HydrophobicContact CB-CB 4.21Å; L251-I256 HydrophobicContact CB-CG2 4.44Å; L251-I256 HydrophobicContact CD2-CB 4.4Å; L251-I256 HydrophobicContact CD2-CD1 3.8Å; L251-I256 HydrophobicContact CD2-CG2 4.4Å; L251-I256 WeakPolarHBondContact O-CB 3.07Å; L251-I256 PolarHBondContact O-N 2.72Å; K254-I256 VanDerWaalsContact C-N 3.28Å; K254-I256 HydrophobicContact CB-CD1 4.32Å; K254-I256 HydrophobicContact CB-CG1 4.45Å; K254-I256 PolarHBondContact O-N 3.41Å; I256-N258 PolarHBondContact O-N 3.44Å; I256-L308 HydrophobicContact CD1-CD1 4.42Å; I256-L308 HydrophobicContact CG1-CD1 4.48Å; I256-L308 HydrophobicContact CG2-CD1 3.5Å; I256-L308 VanDerWaalsContact CG2-CD1 3.5Å; I256-L308 HydrophobicContact CG2-CD2 4.48Å
257D88.2Confident94.8Very high87 Ų8756.9 Ų56.947%0.46532%0.324SS..  trans-69.5114.2174.3168.741.1000111.5S259 T260D257-S259 VanDerWaalsContact C-N 3.32Å; D257-S259 PolarHBondContact O-N 3.42Å; D257-S259 VanDerWaalsContact OD1-CB 3.3Å; D257-S259 WeakPolarHBondContact OD1-CB 3.49Å; D257-S259 PolarHBondContact OD1-N 3.15Å; D257-S259 PolarHBondContact OD1-OG 2.94Å; D257-S259 PolarHBondContact OD2-OG 3.18Å; D257-T260 PolarHBondContact OD2-N 2.98Å; D257-T260 PolarHBondContact OD2-OG1 3.29Å
258N92.4Very high94.8Very high27 Ų2757 Ų5714%0.14432%0.324CS..Hα-helixtrans-68.3-30.7176.8-67.2-24.2000112.7W248 L251 S252 I256 T260 L261 V262W248-N258 HydrophobicContact CE3-CB 3.93Å; W248-N258 HydrophobicContact CZ3-CB 4.38Å; W248-N258 PolarHBondContact O-ND2 3.18Å; L251-N258 WeakPolarHBondContact CB-OD1 3.41Å; L251-N258 WeakPolarHBondContact CD1-OD1 3.38Å; S252-N258 PolarHBondContact OG-ND2 2.92Å; I256-N258 PolarHBondContact O-N 3.44Å; N258-T260 PolarHBondContact O-N 3.47Å; N258-L261 PolarHBondContact O-N 3.1Å; N258-V262 VanDerWaalsContact O-CG2 3.31Å; N258-V262 WeakPolarHBondContact O-CG2 3.39Å; N258-V262 PolarHBondContact O-N 2.95Å
259S91.6Very high94.9Very high69 Ų6954.8 Ų54.848%0.48332%0.316SS..Hα-helixtrans-63.1-44-168.672.40000111.8D257 L261 V262 V263D257-S259 VanDerWaalsContact C-N 3.32Å; D257-S259 PolarHBondContact O-N 3.42Å; D257-S259 VanDerWaalsContact OD1-CB 3.3Å; D257-S259 WeakPolarHBondContact OD1-CB 3.49Å; D257-S259 PolarHBondContact OD1-N 3.15Å; D257-S259 PolarHBondContact OD1-OG 2.94Å; D257-S259 PolarHBondContact OD2-OG 3.18Å; S259-L261 PolarHBondContact O-N 3.46Å; S259-V262 PolarHBondContact O-N 3.37Å; S259-V263 WeakPolarHBondContact O-CG2 3.38Å; S259-V263 PolarHBondContact O-N 3.35Å
260T92.5Very high94.9Very high74 Ų7451.2 Ų51.245%0.45429%0.291SS..Hα-helixtrans-60.2-43.7176.1-60.30000112.2D257 N258 K264D257-T260 PolarHBondContact OD2-N 2.98Å; D257-T260 PolarHBondContact OD2-OG1 3.29Å; N258-T260 PolarHBondContact O-N 3.47Å; T260-K264 WeakPolarHBondContact O-CG 3.38Å; T260-K264 PolarHBondContact O-N 3.45Å; T260-K264 VanDerWaalsContact O-N 3.16Å
261L95.1Very high94.9Very high4 Ų449.8 Ų49.82%0.02129%0.285CS..Hα-helixtrans-69.1-41.3179.917856.5000111.6F247 W248 L251 N258 S259 V263 K264 I265 I304 P310F247-L261 HydrophobicContact CZ-CD2 4.4Å; W248-L261 HydrophobicContact CH2-CD2 4.27Å; W248-L261 HydrophobicContact CH2-CG 4.28Å; W248-L261 HydrophobicContact CZ3-CD2 3.85Å; W248-L261 HydrophobicContact CZ3-CG 4.2Å; L251-L261 HydrophobicContact CD1-CD2 3.95Å; N258-L261 PolarHBondContact O-N 3.1Å; S259-L261 PolarHBondContact O-N 3.46Å; L261-V263 PolarHBondContact O-N 2.89Å; L261-K264 PolarHBondContact O-N 3.14Å; L261-I265 HydrophobicContact CD1-CD1 4.1Å; L261-I265 HydrophobicContact CD1-CG1 4.29Å; L261-I265 HydrophobicContact CG-CD1 4.03Å; L261-I265 WeakPolarHBondContact O-CG1 3.39Å; L261-I265 PolarHBondContact O-N 3.38Å; L261-I304 HydrophobicContact CD1-CD1 4.28Å; L261-I304 HydrophobicContact CD1-CG1 4.38Å; L261-I304 HydrophobicContact CD2-CD1 3.68Å; L261-I304 HydrophobicContact CG-CD1 4.47Å; L261-P310 HydrophobicContact CD1-CB 4.37Å; L261-P310 HydrophobicContact CD1-CG 4.28Å
262V94.9Very high95Very high50 Ų5049.8 Ų49.830%0.30329%0.285SS..Hα-helixtrans-58.6-48.1174.8169.70000110.5W248 N258 S259 K264 I265 L266W248-V262 HydrophobicContact CH2-CG2 3.69Å; W248-V262 HydrophobicContact CZ2-CG2 3.76Å; W248-V262 HydrophobicContact CZ3-CG2 4.11Å; N258-V262 VanDerWaalsContact O-CG2 3.31Å; N258-V262 WeakPolarHBondContact O-CG2 3.39Å; N258-V262 PolarHBondContact O-N 2.95Å; S259-V262 PolarHBondContact O-N 3.37Å; V262-K264 VanDerWaalsContact C-N 3.34Å; V262-K264 PolarHBondContact O-N 2.95Å; V262-I265 PolarHBondContact O-N 3.3Å; V262-I265 VanDerWaalsContact O-N 3.14Å; V262-L266 HydrophobicContact CG1-CD1 3.93Å; V262-L266 HydrophobicContact CG1-CG 4.23Å; V262-L266 VanDerWaalsContact O-CG 3.31Å; V262-L266 WeakPolarHBondContact O-CG 3.29Å; V262-L266 PolarHBondContact O-N 3.42Å
263V94.1Very high95.1Very high95 Ų9546.4 Ų46.458%0.57626%0.262SS*.Hα-helixtrans-58.4-45.1178.1170.50000111.4S259 L261 I265 L266 D267S259-V263 WeakPolarHBondContact O-CG2 3.38Å; S259-V263 PolarHBondContact O-N 3.35Å; L261-V263 PolarHBondContact O-N 2.89Å; V263-I265 VanDerWaalsContact C-N 3.34Å; V263-I265 PolarHBondContact O-N 3.16Å; V263-L266 PolarHBondContact O-N 3.17Å; V263-D267 WeakPolarHBondContact O-CB 3.22Å; V263-D267 PolarHBondContact O-N 3.16Å
264K95.2Very high95.1Very high89 Ų8939.3 Ų39.339%0.38723%0.229SC..Hα-helixtrans-62.5-39.3177-70.3174.5-178.1175.10112.4T260 L261 V262 L268 P310T260-K264 WeakPolarHBondContact O-CG 3.38Å; T260-K264 PolarHBondContact O-N 3.45Å; T260-K264 VanDerWaalsContact O-N 3.16Å; L261-K264 PolarHBondContact O-N 3.14Å; V262-K264 VanDerWaalsContact C-N 3.34Å; V262-K264 PolarHBondContact O-N 2.95Å; K264-L268 WeakPolarHBondContact O-CB 3.36Å; K264-L268 PolarHBondContact O-N 3.49Å; K264-L268 VanDerWaalsContact O-N 3.1Å; K264-P310 HydrophobicContact CB-CG 3.65Å
265I97Very high95.2Very high4 Ų434.1 Ų34.12%0.02121%0.207CC..Hα-helixtrans-64.6-48.7176.5-75170000110.4L175 L177 W248 L261 V262 V263 D267 L268 V269 I302 P310L175-I265 HydrophobicContact CD1-CD1 4.18Å; L177-I265 HydrophobicContact CD1-CG2 3.42Å; L177-I265 VanDerWaalsContact CD1-CG2 3.42Å; W248-I265 HydrophobicContact CH2-CD1 3.99Å; L261-I265 HydrophobicContact CD1-CD1 4.1Å; L261-I265 HydrophobicContact CD1-CG1 4.29Å; L261-I265 HydrophobicContact CG-CD1 4.03Å; L261-I265 WeakPolarHBondContact O-CG1 3.39Å; L261-I265 PolarHBondContact O-N 3.38Å; V262-I265 PolarHBondContact O-N 3.3Å; V262-I265 VanDerWaalsContact O-N 3.14Å; V263-I265 VanDerWaalsContact C-N 3.34Å; V263-I265 PolarHBondContact O-N 3.16Å; I265-D267 PolarHBondContact O-N 3.25Å; I265-L268 WeakPolarHBondContact O-CD2 3.31Å; I265-L268 PolarHBondContact O-N 3.24Å; I265-V269 WeakPolarHBondContact O-CG2 3.39Å; I265-V269 PolarHBondContact O-N 3.48Å; I265-I302 HydrophobicContact CB-CD1 4.49Å; I265-I302 HydrophobicContact CG1-CD1 4.28Å; I265-I302 HydrophobicContact CG2-CD1 3.74Å; I265-P310 HydrophobicContact CG1-CB 3.79Å; I265-P310 HydrophobicContact CG1-CG 4.06Å
266L96.5Very high95.3Very high49 Ų4930.8 Ų30.826%0.25717%0.173SC..Hα-helixtrans-59.9-45.3179.2-67.2177.8000111.6I191 V262 V263 L268 V269 I270 I391I191-L266 HydrophobicContact CD1-CD2 4.04Å; I191-L266 HydrophobicContact CG2-CD2 3.95Å; V262-L266 HydrophobicContact CG1-CD1 3.93Å; V262-L266 HydrophobicContact CG1-CG 4.23Å; V262-L266 VanDerWaalsContact O-CG 3.31Å; V262-L266 WeakPolarHBondContact O-CG 3.29Å; V262-L266 PolarHBondContact O-N 3.42Å; V263-L266 PolarHBondContact O-N 3.17Å; L266-L268 PolarHBondContact O-N 2.93Å; L266-V269 PolarHBondContact O-N 3.37Å; L266-I270 VanDerWaalsContact O-CG1 3.29Å; L266-I270 WeakPolarHBondContact O-CG1 3.24Å; L266-I270 PolarHBondContact O-N 2.82Å; L266-I391 HydrophobicContact CD2-CG2 3.6Å
267D96Very high95.3Very high33 Ų3329.1 Ų29.118%0.17617%0.165CC..Hα-helixtrans-58-47.1176.6179.967.9000111.7V263 I265 V269 I270 K271 Y400V263-D267 WeakPolarHBondContact O-CB 3.22Å; V263-D267 PolarHBondContact O-N 3.16Å; I265-D267 PolarHBondContact O-N 3.25Å; D267-V269 VanDerWaalsContact C-N 3.35Å; D267-V269 PolarHBondContact O-N 2.86Å; D267-I270 PolarHBondContact O-N 2.89Å; D267-K271 VanDerWaalsContact CG-NZ 3.28Å; D267-K271 VanDerWaalsContact O-CB 3.31Å; D267-K271 WeakPolarHBondContact O-CB 3.48Å; D267-K271 WeakPolarHBondContact O-CG 3.17Å; D267-K271 PolarHBondContact O-N 3.08Å; D267-K271 WeakPolarHBondContact OD1-CE 3.27Å; D267-K271 IonicContact OD1-NZ 2.63Å; D267-K271 PolarHBondContact OD1-NZ 3.03Å; D267-K271 WeakPolarHBondContact OD2-CE 3.49Å; D267-K271 IonicContact OD2-NZ 2.79Å; D267-K271 PolarHBondContact OD2-NZ 3.33Å; D267-Y400 WeakPolarHBondContact OD1-CE1 3.42Å; D267-Y400 PolarHBondContact OD1-OH 2.89Å
268L97.2Very high95.6Very high2 Ų226.7 Ų26.71%0.0116%0.155CC..Hα-helixtrans-58.9-42.4174.7146.7154.8000112.2F100 K264 I265 L266 A272 I302 L312F100-L268 HydrophobicContact CB-CB 4.36Å; F100-L268 HydrophobicContact CB-CD1 3.94Å; F100-L268 HydrophobicContact CD1-CB 4.42Å; F100-L268 HydrophobicContact CD2-CB 4.13Å; F100-L268 HydrophobicContact CD2-CD1 3.76Å; F100-L268 HydrophobicContact CD2-CG 3.87Å; F100-L268 HydrophobicContact CE2-CG 4.32Å; F100-L268 HydrophobicContact CG-CB 4.05Å; F100-L268 HydrophobicContact CG-CD1 4.06Å; F100-L268 HydrophobicContact CG-CG 4.25Å; K264-L268 WeakPolarHBondContact O-CB 3.36Å; K264-L268 PolarHBondContact O-N 3.49Å; K264-L268 VanDerWaalsContact O-N 3.1Å; I265-L268 WeakPolarHBondContact O-CD2 3.31Å; I265-L268 PolarHBondContact O-N 3.24Å; L266-L268 PolarHBondContact O-N 2.93Å; L268-A272 VanDerWaalsContact O-CB 3.23Å; L268-A272 WeakPolarHBondContact O-CB 3.27Å; L268-A272 PolarHBondContact O-N 3.33Å; L268-I302 HydrophobicContact CD2-CD1 3.47Å; L268-I302 VanDerWaalsContact CD2-CD1 3.47Å; L268-I302 HydrophobicContact CD2-CG1 4.11Å; L268-L312 HydrophobicContact CD1-CB 3.68Å; L268-L312 HydrophobicContact CG-CB 4.28Å
269V98.1Very high95.7Very high0 Ų027.9 Ų27.90%016%0.164CC..Hα-helixtrans-66.8-49.7-178.6172.60000109.5V179 I265 L266 D267 K271 A272 L273 F300 I391V179-V269 HydrophobicContact CB-CG1 4.46Å; V179-V269 HydrophobicContact CG1-CG1 3.98Å; V179-V269 HydrophobicContact CG2-CG1 3.7Å; V179-V269 HydrophobicContact CG2-CG2 4.42Å; I265-V269 WeakPolarHBondContact O-CG2 3.39Å; I265-V269 PolarHBondContact O-N 3.48Å; L266-V269 PolarHBondContact O-N 3.37Å; D267-V269 VanDerWaalsContact C-N 3.35Å; D267-V269 PolarHBondContact O-N 2.86Å; V269-K271 PolarHBondContact O-N 2.83Å; V269-A272 PolarHBondContact O-N 3.48Å; V269-L273 HydrophobicContact CG1-CD1 4.26Å; V269-L273 WeakPolarHBondContact O-CG 3.29Å; V269-L273 PolarHBondContact O-N 2.88Å; V269-F300 HydrophobicContact CB-CE1 4.38Å; V269-F300 HydrophobicContact CG1-CE1 4.11Å; V269-F300 HydrophobicContact CG1-CE2 4.39Å; V269-F300 HydrophobicContact CG1-CZ 4.03Å; V269-F300 HydrophobicContact CG2-CD1 3.95Å; V269-F300 HydrophobicContact CG2-CE1 4.18Å; V269-F300 HydrophobicContact CG2-CG 4.41Å; V269-I391 HydrophobicContact CB-CD1 4.33Å; V269-I391 HydrophobicContact CG1-CD1 3.47Å; V269-I391 VanDerWaalsContact CG1-CD1 3.47Å
270I97.2Very high95.9Very high4 Ų424.6 Ų24.62%0.02114%0.141CC..Hα-helixtrans-60.3-47.6-178.8-66163.9000110.2L266 D267 A272 L273 I274 I391 I392 Y400L266-I270 VanDerWaalsContact O-CG1 3.29Å; L266-I270 WeakPolarHBondContact O-CG1 3.24Å; L266-I270 PolarHBondContact O-N 2.82Å; D267-I270 PolarHBondContact O-N 2.89Å; I270-A272 PolarHBondContact O-N 3.07Å; I270-L273 WeakPolarHBondContact O-CB 3.29Å; I270-L273 PolarHBondContact O-N 3.15Å; I270-I274 HydrophobicContact CG2-CD1 3.71Å; I270-I274 HydrophobicContact CG2-CG1 4.4Å; I270-I274 WeakPolarHBondContact O-CG1 3.49Å; I270-I274 PolarHBondContact O-N 3.47Å; I270-I391 HydrophobicContact CD1-CB 4.21Å; I270-I391 VanDerWaalsContact CD1-O 3.31Å; I270-I391 WeakPolarHBondContact CD1-O 3.42Å; I270-I391 HydrophobicContact CG1-CB 4.12Å; I270-I391 HydrophobicContact CG1-CD1 4.15Å; I270-I391 HydrophobicContact CG1-CG1 4.28Å; I270-I392 HydrophobicContact CG2-CD1 4.04Å; I270-Y400 HydrophobicContact CB-CD1 4.34Å; I270-Y400 HydrophobicContact CB-CE1 4.02Å; I270-Y400 HydrophobicContact CD1-CD2 4.49Å; I270-Y400 HydrophobicContact CD1-CE1 4.31Å; I270-Y400 HydrophobicContact CD1-CE2 3.76Å; I270-Y400 HydrophobicContact CG2-CD1 3.52Å; I270-Y400 HydrophobicContact CG2-CD2 4.09Å; I270-Y400 HydrophobicContact CG2-CE1 3.69Å; I270-Y400 HydrophobicContact CG2-CE2 4.25Å; I270-Y400 HydrophobicContact CG2-CG 3.72Å
271K97.5Very high95.8Very high4 Ų421.7 Ų21.72%0.01712%0.122CC..Hα-helixtrans-64.9-37.4178.7-74.3174.2175.3166.50112.6E97 F98 F100 D267 V269 I274 S275 Y400E97-K271 WeakPolarHBondContact O-CD 3.41Å; E97-K271 PolarHBondContact O-NZ 3.21Å; E97-K271 WeakPolarHBondContact OE2-CE 3.27Å; E97-K271 IonicContact OE2-NZ 2.82Å; E97-K271 PolarHBondContact OE2-NZ 3.14Å; F98-K271 HydrophobicContact CD1-CB 4.38Å; F98-K271 HydrophobicContact CE1-CB 3.76Å; F98-K271 HydrophobicContact CE1-CG 4.3Å; F98-K271 HydrophobicContact CZ-CB 4.13Å; F98-K271 HydrophobicContact CZ-CD 4.46Å; F98-K271 HydrophobicContact CZ-CG 4.17Å; F100-K271 HydrophobicContact CE1-CB 3.68Å; F100-K271 HydrophobicContact CE1-CD 3.97Å; F100-K271 HydrophobicContact CZ-CB 3.79Å; D267-K271 VanDerWaalsContact CG-NZ 3.28Å; D267-K271 VanDerWaalsContact O-CB 3.31Å; D267-K271 WeakPolarHBondContact O-CB 3.48Å; D267-K271 WeakPolarHBondContact O-CG 3.17Å; D267-K271 PolarHBondContact O-N 3.08Å; D267-K271 WeakPolarHBondContact OD1-CE 3.27Å; D267-K271 IonicContact OD1-NZ 2.63Å; D267-K271 PolarHBondContact OD1-NZ 3.03Å; D267-K271 WeakPolarHBondContact OD2-CE 3.49Å; D267-K271 IonicContact OD2-NZ 2.79Å; D267-K271 PolarHBondContact OD2-NZ 3.33Å; V269-K271 PolarHBondContact O-N 2.83Å; K271-I274 PolarHBondContact O-N 2.84Å; K271-S275 PolarHBondContact O-N 3.25Å; K271-Y400 HydrophobicContact CG-CD1 4.42Å; K271-Y400 HydrophobicContact CG-CE1 4.32Å
272A97.7Very high95.7Very high0 Ų024.6 Ų24.60%015%0.147CC..Hα-helixtrans-61.9-43173.700000111.7F100 L268 V269 I270 S275 F300 L312F100-A272 HydrophobicContact CE2-CB 4.37Å; L268-A272 VanDerWaalsContact O-CB 3.23Å; L268-A272 WeakPolarHBondContact O-CB 3.27Å; L268-A272 PolarHBondContact O-N 3.33Å; V269-A272 PolarHBondContact O-N 3.48Å; I270-A272 PolarHBondContact O-N 3.07Å; A272-S275 PolarHBondContact O-N 2.98Å; A272-S275 PolarHBondContact O-OG 3.1Å; A272-F300 HydrophobicContact CB-CE1 4.03Å; A272-L312 HydrophobicContact CB-CD2 3.84Å
273L97.5Very high95.6Very high0 Ų024.4 Ų24.40%014%0.144CC..Hα-helixtrans-62.1-50.4174.5-66.2173.7000111.5L76 V179 V181 W184 L187 A189 V269 I270 S275 C276 E277 F300 I391L76-L273 HydrophobicContact CD2-CD2 3.77Å; V179-L273 HydrophobicContact CG1-CD1 4.25Å; V181-L273 HydrophobicContact CG2-CD1 4.24Å; V181-L273 HydrophobicContact CG2-CD2 3.72Å; W184-L273 HydrophobicContact CH2-CB 4.39Å; W184-L273 HydrophobicContact CH2-CD2 3.77Å; W184-L273 HydrophobicContact CZ2-CD2 4.42Å; W184-L273 HydrophobicContact CZ3-CB 4.34Å; W184-L273 HydrophobicContact CZ3-CD2 4.49Å; W184-L273 WeakPolarHBondContact CZ3-O 3.48Å; L187-L273 HydrophobicContact CD2-CB 4.17Å; A189-L273 HydrophobicContact CB-CD1 3.47Å; A189-L273 VanDerWaalsContact CB-CD1 3.47Å; V269-L273 HydrophobicContact CG1-CD1 4.26Å; V269-L273 WeakPolarHBondContact O-CG 3.29Å; V269-L273 PolarHBondContact O-N 2.88Å; I270-L273 WeakPolarHBondContact O-CB 3.29Å; I270-L273 PolarHBondContact O-N 3.15Å; L273-S275 PolarHBondContact O-N 3.38Å; L273-C276 PolarHBondContact O-N 3.38Å; L273-E277 PolarHBondContact O-N 3.42Å; L273-E277 VanDerWaalsContact O-N 3.1Å; L273-F300 HydrophobicContact CD2-CZ 4.29Å; L273-I391 HydrophobicContact CD1-CD1 4.24Å
274I96.1Very high95.4Very high6 Ų620.1 Ų20.13%0.03112%0.118CC..Hα-helixtrans-57.9-36.7179.8-67.1169.3000111.6L187 I270 K271 C276 E277 I392 Y400 F404L187-I274 HydrophobicContact CD2-CG1 3.97Å; I270-I274 HydrophobicContact CG2-CD1 3.71Å; I270-I274 HydrophobicContact CG2-CG1 4.4Å; I270-I274 WeakPolarHBondContact O-CG1 3.49Å; I270-I274 PolarHBondContact O-N 3.47Å; K271-I274 PolarHBondContact O-N 2.84Å; I274-C276 PolarHBondContact O-N 3.08Å; I274-C276 VanDerWaalsContact O-N 3.11Å; I274-E277 PolarHBondContact O-N 3.27Å; I274-I392 HydrophobicContact CD1-CD1 4.42Å; I274-Y400 HydrophobicContact CD1-CD1 4.28Å; I274-Y400 HydrophobicContact CD1-CG 4.37Å; I274-F404 HydrophobicContact CD1-CD2 4.2Å; I274-F404 HydrophobicContact CD1-CE2 3.6Å; I274-F404 HydrophobicContact CD1-CZ 4.02Å; I274-F404 HydrophobicContact CG1-CD2 4.4Å; I274-F404 HydrophobicContact CG1-CE1 4.27Å; I274-F404 HydrophobicContact CG1-CE2 3.81Å; I274-F404 HydrophobicContact CG1-CZ 3.74Å; I274-F404 HydrophobicContact CG2-CD1 4.43Å; I274-F404 HydrophobicContact CG2-CD2 4.2Å; I274-F404 HydrophobicContact CG2-CE2 4.43Å; I274-F404 HydrophobicContact CG2-CG 4.22Å
275S96Very high95.1Very high11 Ų1119.9 Ų19.98%0.07713%0.128CC..Hα-helixtrans-58.2-26.3177.880.70000113.7K271 A272 L273K271-S275 PolarHBondContact O-N 3.25Å; A272-S275 PolarHBondContact O-N 2.98Å; A272-S275 PolarHBondContact O-OG 3.1Å; L273-S275 PolarHBondContact O-N 3.38Å
276C96Very high94.7Very high0 Ų027.5 Ų27.50%016%0.161CC..Hα-helixtrans-108.4-7.3-178-65.20000113.4L76 L273 I274 P279 I280L76-C276 HydrophobicContact CD1-CB 4.44Å; L273-C276 PolarHBondContact O-N 3.38Å; I274-C276 PolarHBondContact O-N 3.08Å; I274-C276 VanDerWaalsContact O-N 3.11Å; C276-P279 VanDerWaalsContact O-CD 3.28Å; C276-P279 WeakPolarHBondContact O-CD 3.46Å; C276-P279 WeakPolarHBondContact O-CG 3.23Å; C276-I280 HydrophobicContact CB-CD1 3.84Å; C276-I280 WeakPolarHBondContact O-CB 3.27Å; C276-I280 WeakPolarHBondContact O-CD1 3.08Å; C276-I280 WeakPolarHBondContact O-CG1 3.45Å; C276-I280 PolarHBondContact O-N 3.32Å; C276-I280 VanDerWaalsContact O-N 3.17Å
277E95.1Very high94.3Very high4 Ų426.8 Ų26.82%0.01916%0.156CC..Hα-helixtrans-59.8-52.8-172175.5-87168.800112.5W184 L273 I274 I280 N281 F404W184-E277 HydrophobicContact CE3-CB 3.93Å; W184-E277 HydrophobicContact CE3-CG 4.12Å; W184-E277 HydrophobicContact CZ3-CB 4.02Å; L273-E277 PolarHBondContact O-N 3.42Å; L273-E277 VanDerWaalsContact O-N 3.1Å; I274-E277 PolarHBondContact O-N 3.27Å; E277-I280 PolarHBondContact O-N 2.82Å; E277-N281 WeakPolarHBondContact O-CB 3.44Å; E277-N281 PolarHBondContact O-N 3.02Å; E277-N281 PolarHBondContact OE1-ND2 3.46Å; E277-F404 HydrophobicContact CG-CD1 4.24Å; E277-F404 HydrophobicContact CG-CE1 3.96Å
278S94.1Very high93.8Very high36 Ų3626 Ų2625%0.25215%0.152SC..Hα-helixtrans-58.5-50.4-175.8175.80000113.8I280 N281 A282S278-I280 VanDerWaalsContact C-N 3.35Å; S278-I280 PolarHBondContact O-N 3.26Å; S278-N281 PolarHBondContact O-N 3.32Å; S278-A282 PolarHBondContact O-N 2.81Å
279P94.5Very high92.8Very high52 Ų5229.1 Ų29.134%0.33818%0.177SC..Hα-helixtrans-69-29.8177.226.4-34.6000113.3L75 C276 L283L75-P279 HydrophobicContact CD1-CB 3.73Å; L75-P279 HydrophobicContact CD1-CG 3.94Å; C276-P279 VanDerWaalsContact O-CD 3.28Å; C276-P279 WeakPolarHBondContact O-CD 3.46Å; C276-P279 WeakPolarHBondContact O-CG 3.23Å; P279-L283 PolarHBondContact O-N 2.93Å
280I94.8Very high91.9Very high0 Ų030 Ų300%019%0.185CC..Hα-helixtrans-67.6-46.1173.6-69.1172.1000110.4L75 W184 C276 E277 S278 A282 L283 M284L75-I280 HydrophobicContact CB-CG1 4.34Å; L75-I280 HydrophobicContact CD1-CG1 3.73Å; W184-I280 HydrophobicContact CB-CG2 4.35Å; W184-I280 HydrophobicContact CD2-CB 4.29Å; W184-I280 HydrophobicContact CD2-CD1 4.23Å; W184-I280 HydrophobicContact CD2-CG2 3.76Å; W184-I280 HydrophobicContact CE3-CD1 4.33Å; W184-I280 HydrophobicContact CE3-CG2 4.47Å; W184-I280 HydrophobicContact CG-CG2 3.67Å; W184-I280 HydrophobicContact CH2-CD1 3.59Å; W184-I280 HydrophobicContact CZ2-CD1 3.45Å; W184-I280 VanDerWaalsContact CZ2-CD1 3.45Å; W184-I280 HydrophobicContact CZ3-CD1 4.03Å; C276-I280 HydrophobicContact CB-CD1 3.84Å; C276-I280 WeakPolarHBondContact O-CB 3.27Å; C276-I280 WeakPolarHBondContact O-CD1 3.08Å; C276-I280 WeakPolarHBondContact O-CG1 3.45Å; C276-I280 PolarHBondContact O-N 3.32Å; C276-I280 VanDerWaalsContact O-N 3.17Å; E277-I280 PolarHBondContact O-N 2.82Å; S278-I280 VanDerWaalsContact C-N 3.35Å; S278-I280 PolarHBondContact O-N 3.26Å; I280-A282 VanDerWaalsContact C-N 3.34Å; I280-A282 PolarHBondContact O-N 3.2Å; I280-L283 PolarHBondContact O-N 3.03Å; I280-L283 VanDerWaalsContact O-N 3.13Å; I280-M284 HydrophobicContact CG2-CG 4.24Å; I280-M284 HydrophobicContact CG2-SD 3.89Å; I280-M284 WeakPolarHBondContact O-CG 3.41Å; I280-M284 PolarHBondContact O-N 2.95Å
281N91.6Very high91Very high12 Ų1231.5 Ų31.56%0.06420%0.196CC..Hα-helixtrans-61.4-40.6178-89.3-16.7000112.5W184 E277 S278 L283 M284 S285W184-N281 WeakPolarHBondContact CB-OD1 3.42Å; W184-N281 PolarHBondContact O-ND2 3.34Å; W184-N281 PolarHBondContact O-OD1 3.41Å; E277-N281 WeakPolarHBondContact O-CB 3.44Å; E277-N281 PolarHBondContact O-N 3.02Å; E277-N281 PolarHBondContact OE1-ND2 3.46Å; S278-N281 PolarHBondContact O-N 3.32Å; N281-L283 VanDerWaalsContact C-N 3.3Å; N281-L283 PolarHBondContact O-N 3.31Å; N281-M284 PolarHBondContact O-N 3.4Å; N281-S285 PolarHBondContact O-N 3.2Å; N281-S285 PolarHBondContact O-OG 3.45Å
282A92.6Very high90.2Very high66 Ų6636.1 Ų36.155%0.54522%0.216SC..Hα-helixtrans-59.6-39.6174.500000112.5S278 I280 K286S278-A282 PolarHBondContact O-N 2.81Å; I280-A282 VanDerWaalsContact C-N 3.34Å; I280-A282 PolarHBondContact O-N 3.2Å; A282-K286 PolarHBondContact O-N 3.17Å
283L92.4Very high89.7Confident46 Ų4636.1 Ų36.124%0.24122%0.216CC..Hα-helixtrans-70.8-43.2175-73.7171.4000111.9F74 L75 P279 I280 N281 K286 M287F74-L283 HydrophobicContact CE1-CD1 4.35Å; F74-L283 HydrophobicContact CZ-CD1 4.16Å; L75-L283 HydrophobicContact CD1-CD1 4.29Å; P279-L283 PolarHBondContact O-N 2.93Å; I280-L283 PolarHBondContact O-N 3.03Å; I280-L283 VanDerWaalsContact O-N 3.13Å; N281-L283 VanDerWaalsContact C-N 3.3Å; N281-L283 PolarHBondContact O-N 3.31Å; L283-K286 PolarHBondContact O-N 2.99Å; L283-M287 VanDerWaalsContact O-CB 3.32Å; L283-M287 WeakPolarHBondContact O-CB 3.48Å; L283-M287 WeakPolarHBondContact O-CG 3.34Å; L283-M287 PolarHBondContact O-N 2.84Å
284M91.3Very high89.4Confident5 Ų536.1 Ų36.13%0.02522%0.216CC..Hα-helixtrans-60.9-48.6178.8-74.6-179.86100111.7F70 P71 W184 I280 N281 K286 M287 M288F70-M284 HydrophobicContact CD1-CE 3.83Å; F70-M284 HydrophobicContact CD1-CG 4.45Å; F70-M284 HydrophobicContact CD1-SD 3.54Å; F70-M284 VanDerWaalsContact CD1-SD 3.54Å; F70-M284 HydrophobicContact CE1-CE 3.76Å; F70-M284 HydrophobicContact CE1-SD 3.92Å; F70-M284 HydrophobicContact CG-SD 4.42Å; P71-M284 HydrophobicContact CG-CG 3.96Å; W184-M284 HydrophobicContact CB-SD 3.78Å; W184-M284 VanDerWaalsContact CD1-SD 3.53Å; W184-M284 HydrophobicContact CG-SD 3.93Å; I280-M284 HydrophobicContact CG2-CG 4.24Å; I280-M284 HydrophobicContact CG2-SD 3.89Å; I280-M284 WeakPolarHBondContact O-CG 3.41Å; I280-M284 PolarHBondContact O-N 2.95Å; N281-M284 PolarHBondContact O-N 3.4Å; M284-K286 PolarHBondContact O-N 3.33Å; M284-K286 VanDerWaalsContact O-N 3.15Å; M284-M287 PolarHBondContact O-N 3.05Å; M284-M287 VanDerWaalsContact O-N 3.15Å; M284-M288 HydrophobicContact CB-SD 4.48Å; M284-M288 HydrophobicContact CE-SD 4.31Å; M284-M288 HydrophobicContact CG-SD 4.1Å; M284-M288 WeakPolarHBondContact O-CB 3.47Å; M284-M288 PolarHBondContact O-N 3.38Å
285S87.8Confident89.4Confident84 Ų8435.9 Ų35.959%0.58722%0.215SC*.Hα-helixtrans-61.9-22.6178.2-630000113.6N281N281-S285 PolarHBondContact O-N 3.2Å; N281-S285 PolarHBondContact O-OG 3.45Å
286K88.3Confident89.3Confident164 Ų16435.4 Ų35.471%0.71321%0.211SC*.Hα-helixtrans-87.4-32.9175.9-177.7171.9177.61770113.1A282 L283 M284A282-K286 PolarHBondContact O-N 3.17Å; L283-K286 PolarHBondContact O-N 2.99Å; M284-K286 PolarHBondContact O-N 3.33Å; M284-K286 VanDerWaalsContact O-N 3.15Å
287M89.3Confident89.4Confident33 Ų3335.9 Ų35.916%0.16321%0.214CC..Hα-helixtrans-109.1-13.4-165.3-59.7-64.7177.400113.9V55 F58 V59 P71 L283 M284V55-M287 HydrophobicContact CG1-CE 3.79Å; V55-M287 HydrophobicContact CG1-CG 3.8Å; V55-M287 HydrophobicContact CG1-SD 4.05Å; F58-M287 CarbonylContact C-O 3.32Å; F58-M287 HydrophobicContact CB-CB 4.1Å; F58-M287 WeakPolarHBondContact CB-O 3.48Å; V59-M287 WeakPolarHBondContact CA-O 3.38Å; V59-M287 WeakPolarHBondContact CG2-O 3.29Å; V59-M287 HydrophobicContact CG2-SD 4.17Å; V59-M287 PolarHBondContact N-O 3.35Å; V59-M287 VanDerWaalsContact N-O 3.15Å; P71-M287 HydrophobicContact CG-CB 4.48Å; L283-M287 VanDerWaalsContact O-CB 3.32Å; L283-M287 WeakPolarHBondContact O-CB 3.48Å; L283-M287 WeakPolarHBondContact O-CG 3.34Å; L283-M287 PolarHBondContact O-N 2.84Å; M284-M287 PolarHBondContact O-N 3.05Å; M284-M287 VanDerWaalsContact O-N 3.15Å
288M84.1Confident89.5Confident18 Ų1835.7 Ų35.79%0.08921%0.213CC..  trans-130.1141.8-172.8-62.4177.466.900111.1F58 P71 M284 A290 M293 A294F58-M288 HydrophobicContact CB-CG 4.06Å; F58-M288 HydrophobicContact CD1-CE 4.35Å; F58-M288 HydrophobicContact CD1-CG 3.91Å; F58-M288 HydrophobicContact CD1-SD 3.89Å; F58-M288 HydrophobicContact CE1-SD 4.32Å; F58-M288 HydrophobicContact CG-CG 4.34Å; P71-M288 VanDerWaalsContact CD-SD 3.57Å; P71-M288 HydrophobicContact CG-CG 4.39Å; P71-M288 HydrophobicContact CG-SD 3.9Å; M284-M288 HydrophobicContact CB-SD 4.48Å; M284-M288 HydrophobicContact CE-SD 4.31Å; M284-M288 HydrophobicContact CG-SD 4.1Å; M284-M288 WeakPolarHBondContact O-CB 3.47Å; M284-M288 PolarHBondContact O-N 3.38Å; M288-A290 VanDerWaalsContact C-N 3.31Å; M288-M293 HydrophobicContact CE-CB 3.62Å; M288-A294 HydrophobicContact CE-CB 3.54Å; M288-A294 HydrophobicContact SD-CB 4.26Å
289A77.7Confident89.6Confident66 Ų6634 Ų3455%0.54520%0.201SC..SBendtrans-67-33.6175.600000112.3P63 M293P63-A289 HydrophobicContact CG-CB 4.35Å; A289-M293 HydrophobicContact CB-SD 4Å
290A78.8Confident89.8Confident18 Ų1831.5 Ų31.515%0.14919%0.185CC..  trans-150.3150.3176.800000112.9M288 F292 M293M288-A290 VanDerWaalsContact C-N 3.31Å; A290-F292 VanDerWaalsContact C-N 3.31Å; A290-F292 HydrophobicContact CB-CD1 3.49Å; A290-F292 VanDerWaalsContact CB-CD1 3.49Å; A290-F292 HydrophobicContact CB-CE1 3.17Å; A290-F292 HydrophobicContact CB-CG 4.42Å; A290-F292 HydrophobicContact CB-CZ 3.88Å; A290-F292 PolarHBondContact O-N 3.39Å; A290-M293 HydrophobicContact CB-CG 4.23Å; A290-M293 HydrophobicContact CB-SD 4.19Å; A290-M293 PolarHBondContact N-SD 3.41Å; A290-M293 PolarHBondContact O-N 2.85Å
291S78.2Confident89.9Confident37 Ų3731.8 Ų31.826%0.25919%0.186SC..G310 helixtrans-69.8-25.4-176.553.10000114K185 M293K185-S291 PolarHBondContact O-OG 3.14Å; S291-M293 VanDerWaalsContact C-N 3.27Å; S291-M293 PolarHBondContact O-N 3.23Å
292F80.5Confident90.2Very high100 Ų10031.2 Ų31.244%0.43918%0.183SC..G310 helixtrans-77.2-9.1-178.469.7-97.8000114P63 K66 A290 A294P63-F292 WeakPolarHBondContact O-CE2 3.26Å; K66-F292 WeakPolarHBondContact CE-O 3.38Å; K66-F292 PolarHBondContact NZ-O 3.46Å; A290-F292 VanDerWaalsContact C-N 3.31Å; A290-F292 HydrophobicContact CB-CD1 3.49Å; A290-F292 VanDerWaalsContact CB-CD1 3.49Å; A290-F292 HydrophobicContact CB-CE1 3.17Å; A290-F292 HydrophobicContact CB-CG 4.42Å; A290-F292 HydrophobicContact CB-CZ 3.88Å; A290-F292 PolarHBondContact O-N 3.39Å; F292-A294 PolarHBondContact O-N 3.48Å
293M86.4Confident90.5Very high0 Ų028.6 Ų28.60%016%0.16CC..G310 helixtrans-73.4-14-178.6-62.7168.362.700112.5L61 M62 Q65 K66 V67 M288 A289 A290 S291L61-M293 HydrophobicContact CB-CE 3.49Å; L61-M293 VanDerWaalsContact CB-CE 3.49Å; L61-M293 HydrophobicContact CD1-CE 4.45Å; M62-M293 WeakPolarHBondContact O-CE 3.2Å; Q65-M293 WeakPolarHBondContact O-CB 3.34Å; K66-M293 CarbonylContact C-O 3.48Å; K66-M293 VanDerWaalsContact CA-O 3.27Å; K66-M293 WeakPolarHBondContact CA-O 3.3Å; V67-M293 WeakPolarHBondContact CG2-O 3.24Å; V67-M293 PolarHBondContact N-O 3.2Å; M288-M293 HydrophobicContact CE-CB 3.62Å; A289-M293 HydrophobicContact CB-SD 4Å; A290-M293 HydrophobicContact CB-CG 4.23Å; A290-M293 HydrophobicContact CB-SD 4.19Å; A290-M293 PolarHBondContact N-SD 3.41Å; A290-M293 PolarHBondContact O-N 2.85Å; S291-M293 VanDerWaalsContact C-N 3.27Å; S291-M293 PolarHBondContact O-N 3.23Å
294A92.7Very high90.7Very high0 Ų026.4 Ų26.40%015%0.149CC..BIsolated β-bridgetrans-125.4148.2177.300000111.4V67 H69 F70 M288 F292V67-A294 HydrophobicContact CG2-CB 3.89Å; V67-A294 VanDerWaalsContact O-CA 3.27Å; V67-A294 WeakPolarHBondContact O-CA 3.44Å; H69-A294 WeakPolarHBondContact O-CB 3.39Å; F70-A294 HydrophobicContact CD1-CB 3.41Å; F70-A294 VanDerWaalsContact CD1-CB 3.41Å; F70-A294 HydrophobicContact CE1-CB 3.5Å; F70-A294 WeakPolarHBondContact CE1-O 3.31Å; F70-A294 HydrophobicContact CG-CB 4.15Å; F70-A294 HydrophobicContact CZ-CB 4.32Å; F70-A294 VanDerWaalsContact CZ-O 3.24Å; F70-A294 WeakPolarHBondContact CZ-O 3.45Å; M288-A294 HydrophobicContact CE-CB 3.54Å; M288-A294 HydrophobicContact SD-CB 4.26Å; F292-A294 PolarHBondContact O-N 3.48Å
295Y94.7Very high91Very high2 Ų226.4 Ų26.41%0.00815%0.149CC..  trans-139.9161.4169.461.2-83.7000108W49 K66 V67 N68 H69 L180 V181 V339W49-Y295 HydrophobicContact CE3-CE2 4.26Å; W49-Y295 AromaticContact CZ3-CE2 3.92Å; W49-Y295 HydrophobicContact CZ3-CE2 3.92Å; K66-Y295 HydrophobicContact CD-CD1 4.23Å; K66-Y295 HydrophobicContact CD-CE1 4.37Å; K66-Y295 HydrophobicContact CG-CD1 3.9Å; K66-Y295 HydrophobicContact CG-CE1 3.92Å; V67-Y295 VanDerWaalsContact O-CD1 3.29Å; V67-Y295 WeakPolarHBondContact O-CD1 3.47Å; V67-Y295 WeakPolarHBondContact O-CE1 3.35Å; V67-Y295 PolarHBondContact O-N 3.13Å; V67-Y295 VanDerWaalsContact O-N 3.08Å; N68-Y295 CarbonylContact C-O 3.33Å; N68-Y295 VanDerWaalsContact CA-O 3.29Å; N68-Y295 WeakPolarHBondContact CA-O 3.33Å; N68-Y295 HydrophobicContact CB-CD2 4.44Å; N68-Y295 HydrophobicContact CB-CE1 4.34Å; N68-Y295 HydrophobicContact CB-CE2 3.71Å; H69-Y295 PolarHBondContact N-O 3.29Å; H69-Y295 VanDerWaalsContact N-O 3.16Å; L180-Y295 HydrophobicContact CD1-CD2 4.16Å; V181-Y295 CarbonylContact O-C 3.47Å; V181-Y295 WeakPolarHBondContact O-CA 3.47Å; Y295-V339 HydrophobicContact CD2-CG1 4.23Å; Y295-V339 HydrophobicContact CE2-CG1 3.9Å
296E95.6Very high91.4Very high0 Ų025.6 Ų25.60%014%0.143CC..EExtended strand (participates in β ladder)trans-151.9126.2179.5-169.3131.1-158.600114.1H69 F70 N73 L180 V181 Y298 I317H69-E296 VanDerWaalsContact CA-OE2 3.3Å; H69-E296 WeakPolarHBondContact CA-OE2 3.39Å; H69-E296 IonicContact CE1-OE1 2.83Å; H69-E296 PolarHBondContact CE1-OE1 3.38Å; H69-E296 IonicContact CG-OE1 3.23Å; H69-E296 IonicContact ND1-OE1 2.81Å; H69-E296 PolarHBondContact ND1-OE1 3.48Å; H69-E296 IonicContact ND1-OE2 2.66Å; F70-E296 HydrophobicContact CD2-CB 3.47Å; F70-E296 VanDerWaalsContact CD2-CB 3.47Å; F70-E296 HydrophobicContact CE2-CB 3.61Å; F70-E296 PolarHBondContact N-OE2 3.25Å; N73-E296 WeakPolarHBondContact CB-OE2 3.33Å; N73-E296 VanDerWaalsContact ND2-CD 3.35Å; N73-E296 PolarHBondContact ND2-OE1 2.92Å; N73-E296 PolarHBondContact ND2-OE2 3.47Å; L180-E296 WeakPolarHBondContact CA-O 3.24Å; V181-E296 PolarHBondContact N-O 2.62Å; V181-E296 PolarHBondContact O-N 3.16Å; E296-Y298 HydrophobicContact CB-CD2 4.43Å; E296-Y298 HydrophobicContact CB-CE2 3.75Å; E296-Y298 HydrophobicContact CG-CD1 4.3Å; E296-Y298 HydrophobicContact CG-CD2 4.24Å; E296-Y298 HydrophobicContact CG-CE1 3.82Å; E296-Y298 HydrophobicContact CG-CE2 3.76Å; E296-I317 WeakPolarHBondContact OE1-CG2 3.36Å
297L96.5Very high91.8Very high10 Ų1024.5 Ų24.55%0.05214%0.14CC..EExtended strand (participates in β ladder)trans-86.5118.7170.3-175.368.4000109.8L180 P319 V321 L335 V339 F388L180-L297 HydrophobicContact CB-CD1 4.38Å; L180-L297 HydrophobicContact CD1-CB 4.32Å; L297-P319 HydrophobicContact CD2-CG 3.99Å; L297-P319 HydrophobicContact CG-CG 3.99Å; L297-P319 WeakPolarHBondContact O-CD 3.34Å; L297-V321 HydrophobicContact CD2-CG1 4.38Å; L297-L335 HydrophobicContact CD1-CD1 4.25Å; L297-L335 HydrophobicContact CD2-CD2 4.19Å; L297-L335 HydrophobicContact CD2-CG 4.44Å; L297-V339 HydrophobicContact CD1-CG2 3.94Å; L297-V339 HydrophobicContact CD2-CG2 4.26Å; L297-F388 HydrophobicContact CD1-CZ 4.32Å
298Y97.2Very high92.1Very high0 Ų025 Ų250%014%0.143CC..EExtended strand (participates in β ladder)trans-104.3143.4174.2-63.4-77.5000110.9N73 L76 Y178 V179 V181 W184 E296 V315 N316N73-Y298 HydrophobicContact CB-CE1 4.38Å; L76-Y298 HydrophobicContact CB-CE1 4.5Å; L76-Y298 HydrophobicContact CD2-CD1 3.89Å; L76-Y298 HydrophobicContact CD2-CD2 4.21Å; L76-Y298 HydrophobicContact CD2-CE1 3.81Å; L76-Y298 HydrophobicContact CD2-CE2 4.13Å; L76-Y298 HydrophobicContact CD2-CG 4.08Å; Y178-Y298 WeakPolarHBondContact CA-O 3.23Å; V179-Y298 PolarHBondContact N-O 3.2Å; V179-Y298 PolarHBondContact O-N 3.49Å; V181-Y298 HydrophobicContact CB-CE2 4.06Å; V181-Y298 HydrophobicContact CG2-CD2 3.93Å; V181-Y298 HydrophobicContact CG2-CE2 3.7Å; W184-Y298 HydrophobicContact CZ2-CE2 4.34Å; E296-Y298 HydrophobicContact CB-CD2 4.43Å; E296-Y298 HydrophobicContact CB-CE2 3.75Å; E296-Y298 HydrophobicContact CG-CD1 4.3Å; E296-Y298 HydrophobicContact CG-CD2 4.24Å; E296-Y298 HydrophobicContact CG-CE1 3.82Å; E296-Y298 HydrophobicContact CG-CE2 3.76Å; Y298-V315 HydrophobicContact CD1-CG1 3.8Å; Y298-V315 HydrophobicContact CG-CG1 4.08Å; Y298-N316 WeakPolarHBondContact CA-O 3.45Å
299G97.2Very high92.7Very high0 Ų028.5 Ų28.50%016%0.156CC..EExtended strand (participates in β ladder)trans-101.5106.4167.200000110.3L177 N316L177-G299 CarbonylContact O-C 3.41Å; L177-G299 WeakPolarHBondContact O-CA 3.22Å; G299-N316 PolarHBondContact N-O 3.35Å; G299-N316 PolarHBondContact O-N 3.21Å
300F97.9Very high93.6Very high0 Ų025.6 Ų25.60%013%0.131CC..EExtended strand (participates in β ladder)trans-82.2127.8174.2-83.2-111.8000109.5L76 L175 R176 L177 V179 V269 A272 L273 L312 V315L76-F300 HydrophobicContact CD2-CZ 4.32Å; L175-F300 VanDerWaalsContact O-O 3.13Å; R176-F300 WeakPolarHBondContact CA-O 3.44Å; L177-F300 HydrophobicContact CB-CB 4.31Å; L177-F300 PolarHBondContact N-O 3.3Å; L177-F300 PolarHBondContact O-N 3Å; V179-F300 HydrophobicContact CB-CD2 3.76Å; V179-F300 HydrophobicContact CB-CE2 3.74Å; V179-F300 HydrophobicContact CG1-CE2 4.11Å; V179-F300 HydrophobicContact CG2-CD2 3.52Å; V179-F300 HydrophobicContact CG2-CE2 3.83Å; V179-F300 HydrophobicContact CG2-CG 4.15Å; V269-F300 HydrophobicContact CB-CE1 4.38Å; V269-F300 HydrophobicContact CG1-CE1 4.11Å; V269-F300 HydrophobicContact CG1-CE2 4.39Å; V269-F300 HydrophobicContact CG1-CZ 4.03Å; V269-F300 HydrophobicContact CG2-CD1 3.95Å; V269-F300 HydrophobicContact CG2-CE1 4.18Å; V269-F300 HydrophobicContact CG2-CG 4.41Å; A272-F300 HydrophobicContact CB-CE1 4.03Å; L273-F300 HydrophobicContact CD2-CZ 4.29Å; F300-L312 HydrophobicContact CD1-CD1 3.67Å; F300-L312 HydrophobicContact CE1-CD1 4.19Å; F300-V315 HydrophobicContact CD1-CG2 3.82Å; F300-V315 HydrophobicContact CD2-CG1 3.98Å; F300-V315 HydrophobicContact CD2-CG2 4.36Å; F300-V315 HydrophobicContact CE1-CG2 3.62Å; F300-V315 HydrophobicContact CE2-CG1 3.76Å; F300-V315 HydrophobicContact CE2-CG2 4.19Å; F300-V315 HydrophobicContact CG-CG2 4.19Å; F300-V315 HydrophobicContact CZ-CG1 4.13Å; F300-V315 HydrophobicContact CZ-CG2 3.82Å
301D97.1Very high94.6Very high6 Ų625.7 Ų25.73%0.03213%0.128CC..EExtended strand (participates in β ladder)trans-104.7110.5175.8-6728.9000107.9L175 R176 R198 I313 E314 N316L175-D301 WeakPolarHBondContact O-CA 3.46Å; R176-D301 IonicContact CZ-OD1 3.56Å; R176-D301 IonicContact CZ-OD2 3.93Å; R176-D301 IonicContact NE-OD1 2.86Å; R176-D301 PolarHBondContact NE-OD1 3.28Å; R176-D301 IonicContact NE-OD2 3.05Å; R176-D301 IonicContact NH2-OD1 2.81Å; R176-D301 PolarHBondContact NH2-OD1 3.32Å; R176-D301 IonicContact NH2-OD2 3.13Å; R176-D301 PolarHBondContact NH2-OD2 2.66Å; R198-D301 IonicContact CZ-OD2 2.72Å; R198-D301 IonicContact NH1-OD2 2.72Å; R198-D301 VanDerWaalsContact NH2-CG 3.35Å; R198-D301 IonicContact NH2-OD1 2.94Å; R198-D301 IonicContact NH2-OD2 2.78Å; R198-D301 PolarHBondContact NH2-OD2 3.27Å; D301-I313 HydrophobicContact CB-CB 4.41Å; D301-I313 WeakPolarHBondContact O-CB 3.33Å; D301-I313 PolarHBondContact O-N 2.77Å; D301-E314 HydrophobicContact CB-CG 3.66Å; D301-E314 PolarHBondContact N-O 3.5Å; D301-N316 PolarHBondContact OD1-ND2 2.8Å; D301-N316 PolarHBondContact OD2-ND2 2.74Å
302I98.2Very high95.5Very high0 Ų024 Ų240%012%0.116CC..EExtended strand (participates in β ladder)trans-114.9133.6-177-60.7179.2000109.5L175 L177 I265 L268 P310 W311L175-I302 HydrophobicContact CB-CB 4.34Å; L175-I302 PolarHBondContact N-O 3.07Å; L175-I302 PolarHBondContact O-N 2.85Å; L177-I302 HydrophobicContact CD1-CD1 3.56Å; L177-I302 HydrophobicContact CG-CD1 4.38Å; I265-I302 HydrophobicContact CB-CD1 4.49Å; I265-I302 HydrophobicContact CG1-CD1 4.28Å; I265-I302 HydrophobicContact CG2-CD1 3.74Å; L268-I302 HydrophobicContact CD2-CD1 3.47Å; L268-I302 VanDerWaalsContact CD2-CD1 3.47Å; L268-I302 HydrophobicContact CD2-CG1 4.11Å; I302-P310 HydrophobicContact CG2-CB 3.7Å; I302-W311 WeakPolarHBondContact CA-O 3.4Å
303L98.2Very high96.2Very high11 Ų1121.1 Ų21.16%0.05811%0.105CC..EExtended strand (participates in β ladder)trans-107.9137.5170-175.365.4000109.3I162 P165 F173 P310 W311 I313I162-L303 HydrophobicContact CB-CD2 3.81Å; I162-L303 HydrophobicContact CD1-CD2 3.78Å; I162-L303 HydrophobicContact CG1-CD2 4.39Å; I162-L303 HydrophobicContact CG2-CD2 3.99Å; P165-L303 HydrophobicContact CB-CD1 4.3Å; F173-L303 WeakPolarHBondContact O-CD1 3.41Å; L303-P310 CarbonylContact O-C 3.3Å; L303-W311 PolarHBondContact N-O 3.11Å; L303-W311 PolarHBondContact O-N 3.27Å; L303-I313 HydrophobicContact CB-CD1 3.78Å; L303-I313 HydrophobicContact CB-CG1 3.72Å; L303-I313 HydrophobicContact CD2-CD1 4.4Å
304I98Very high96.6Very high1 Ų122.3 Ų22.31%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-102.4134.5174.3-61165.1000108.2F166 F173 L175 F247 L261 L308F166-I304 HydrophobicContact CB-CB 4.33Å; F166-I304 HydrophobicContact CB-CG2 3.97Å; F166-I304 PolarHBondContact N-O 2.72Å; F173-I304 HydrophobicContact CE2-CD1 4.4Å; L175-I304 HydrophobicContact CD1-CD1 3.58Å; L175-I304 HydrophobicContact CD1-CG1 4.32Å; L175-I304 HydrophobicContact CG-CD1 4.28Å; F247-I304 HydrophobicContact CE1-CD1 4.13Å; F247-I304 HydrophobicContact CZ-CD1 3.57Å; L261-I304 HydrophobicContact CD1-CD1 4.28Å; L261-I304 HydrophobicContact CD1-CG1 4.38Å; L261-I304 HydrophobicContact CD2-CD1 3.68Å; L261-I304 HydrophobicContact CG-CD1 4.47Å; I304-L308 HydrophobicContact CG2-CD2 4.15Å
305D97.4Very high96.7Very high5 Ų522.4 Ų22.43%0.02711%0.111CC..BIsolated β-bridgetrans-91.3172.7173.469.819.9000112.7I162 N164 F166 E307 L308 R309 W311I162-D305 HydrophobicContact CG2-CB 4.21Å; N164-D305 CarbonylContact O-C 3.51Å; N164-D305 VanDerWaalsContact O-CA 3.3Å; N164-D305 WeakPolarHBondContact O-CA 3.05Å; N164-D305 WeakPolarHBondContact O-CB 3.41Å; F166-D305 WeakPolarHBondContact CB-O 3.48Å; D305-E307 PolarHBondContact O-N 3.48Å; D305-E307 PolarHBondContact OD1-N 3.24Å; D305-L308 WeakPolarHBondContact O-CA 3.03Å; D305-L308 PolarHBondContact O-N 3.06Å; D305-L308 PolarHBondContact OD1-N 3.34Å; D305-R309 PolarHBondContact N-O 3.25Å; D305-R309 WeakPolarHBondContact OD1-CB 3.46Å; D305-R309 PolarHBondContact OD1-N 3.13Å; D305-R309 WeakPolarHBondContact OD2-CB 2.88Å; D305-W311 PolarHBondContact OD2-NE1 3.38Å
306S96.5Very high96.7Very high66 Ų6623.8 Ų23.846%0.46212%0.118SC..THydrogen-bonded Turntrans-59.3-17-178.260.30000114.4N164 L308N164-S306 PolarHBondContact ND2-OG 2.95Å; N164-S306 PolarHBondContact O-N 3.25Å; S306-L308 VanDerWaalsContact C-N 3.33Å
307E95.7Very high96.5Very high141 Ų14125.9 Ų25.966%0.65913%0.129SC*.THydrogen-bonded Turntrans-96.812.6177.3-65.3162.9-156.700111.7D305 R309D305-E307 PolarHBondContact O-N 3.48Å; D305-E307 PolarHBondContact OD1-N 3.24Å; E307-R309 PolarHBondContact O-N 2.98Å
308L95.6Very high96Very high44 Ų4428.6 Ų28.623%0.2315%0.149CC..SBendtrans56.935.3-176.4-58.9172000112.7F166 I256 I304 D305 S306F166-L308 HydrophobicContact CD2-CD2 3.91Å; F166-L308 HydrophobicContact CE2-CD2 4.02Å; F166-L308 HydrophobicContact CG-CD2 4.24Å; F166-L308 HydrophobicContact CZ-CD2 4.43Å; I256-L308 HydrophobicContact CD1-CD1 4.42Å; I256-L308 HydrophobicContact CG1-CD1 4.48Å; I256-L308 HydrophobicContact CG2-CD1 3.5Å; I256-L308 VanDerWaalsContact CG2-CD1 3.5Å; I256-L308 HydrophobicContact CG2-CD2 4.48Å; I304-L308 HydrophobicContact CG2-CD2 4.15Å; D305-L308 WeakPolarHBondContact O-CA 3.03Å; D305-L308 PolarHBondContact O-N 3.06Å; D305-L308 PolarHBondContact OD1-N 3.34Å; S306-L308 VanDerWaalsContact C-N 3.33Å
309R96.1Very high95.7Very high91 Ų9129.1 Ų29.134%0.34315%0.152SC..  trans-95.5126.3170.6174.6-174.9179.6163.64.3109.9G99 D305 E307 W311G99-R309 PolarHBondContact O-NH2 3.2Å; D305-R309 PolarHBondContact N-O 3.25Å; D305-R309 WeakPolarHBondContact OD1-CB 3.46Å; D305-R309 PolarHBondContact OD1-N 3.13Å; D305-R309 WeakPolarHBondContact OD2-CB 2.88Å; E307-R309 PolarHBondContact O-N 2.98Å; R309-W311 VanDerWaalsContact O-CD1 3.3Å
310P97.9Very high95.2Very high6 Ų632.6 Ų32.64%0.03918%0.177CC..EExtended strand (participates in β ladder)trans-78.3141.7174.131.3-33000111.4L261 K264 I265 I302 L303L261-P310 HydrophobicContact CD1-CB 4.37Å; L261-P310 HydrophobicContact CD1-CG 4.28Å; K264-P310 HydrophobicContact CB-CG 3.65Å; I265-P310 HydrophobicContact CG1-CB 3.79Å; I265-P310 HydrophobicContact CG1-CG 4.06Å; I302-P310 HydrophobicContact CG2-CB 3.7Å; L303-P310 CarbonylContact O-C 3.3Å
311W98.1Very high94.6Very high19 Ų1933.2 Ų33.27%0.07218%0.18CC..EExtended strand (participates in β ladder)trans-124.7126.9176.7-65.989.2000110.5G99 F100 P102 I162 I302 L303 D305 R309 I313G99-W311 WeakPolarHBondContact O-CZ3 3.45Å; F100-W311 CarbonylContact O-C 3.56Å; F100-W311 VanDerWaalsContact O-CA 3.3Å; F100-W311 WeakPolarHBondContact O-CA 3.45Å; P102-W311 HydrophobicContact CG-CE3 4.13Å; I162-W311 HydrophobicContact CD1-CB 3.51Å; I162-W311 HydrophobicContact CD1-CD2 3.82Å; I162-W311 HydrophobicContact CD1-CE3 4.5Å; I162-W311 HydrophobicContact CD1-CG 3.35Å; I162-W311 HydrophobicContact CG1-CG 4.45Å; I302-W311 WeakPolarHBondContact CA-O 3.4Å; L303-W311 PolarHBondContact N-O 3.11Å; L303-W311 PolarHBondContact O-N 3.27Å; D305-W311 PolarHBondContact OD2-NE1 3.38Å; R309-W311 VanDerWaalsContact O-CD1 3.3Å; W311-I313 HydrophobicContact CB-CD1 4.29Å; W311-I313 PolarHBondContact O-N 3.29Å
312L98Very high93.9Very high3 Ų342.1 Ų42.12%0.01621%0.214CC..EExtended strand (participates in β ladder)trans-73.8117.7172.5-176.658.7000109.7L82 L86 F100 P102 L268 A272 F300 V315L82-L312 HydrophobicContact CD2-CD2 4.12Å; L86-L312 HydrophobicContact CD1-CD2 4.28Å; F100-L312 HydrophobicContact CD2-CB 4.16Å; F100-L312 HydrophobicContact CE2-CD2 4.23Å; F100-L312 PolarHBondContact O-N 2.83Å; P102-L312 WeakPolarHBondContact CD-O 3.45Å; L268-L312 HydrophobicContact CD1-CB 3.68Å; L268-L312 HydrophobicContact CG-CB 4.28Å; A272-L312 HydrophobicContact CB-CD2 3.84Å; F300-L312 HydrophobicContact CD1-CD1 3.67Å; F300-L312 HydrophobicContact CE1-CD1 4.19Å; L312-V315 HydrophobicContact CD1-CG2 4.01Å; L312-V315 HydrophobicContact CD2-CG2 4.39Å
313I95.3Very high93.3Very high39 Ų3944 Ų4420%0.223%0.226CC..EExtended strand (participates in β ladder)trans-95.6-49.6-179.2-56-54.1000111.3P102 I162 D301 L303 W311P102-I313 HydrophobicContact CG-CD1 4.3Å; I162-I313 HydrophobicContact CD1-CD1 4.08Å; D301-I313 HydrophobicContact CB-CB 4.41Å; D301-I313 WeakPolarHBondContact O-CB 3.33Å; D301-I313 PolarHBondContact O-N 2.77Å; L303-I313 HydrophobicContact CB-CD1 3.78Å; L303-I313 HydrophobicContact CB-CG1 3.72Å; L303-I313 HydrophobicContact CD2-CD1 4.4Å; W311-I313 HydrophobicContact CB-CD1 4.29Å; W311-I313 PolarHBondContact O-N 3.29Å
314E93.8Very high92.5Very high24 Ų2446.7 Ų46.711%0.11225%0.246CC..EExtended strand (participates in β ladder)trans-159.7161.5175.560.3178.4-148.700111K79 D301 N316K79-E314 WeakPolarHBondContact CE-OE2 3.2Å; K79-E314 IonicContact NZ-OE2 3.77Å; K79-E314 PolarHBondContact NZ-OE2 3.31Å; D301-E314 HydrophobicContact CB-CG 3.66Å; D301-E314 PolarHBondContact N-O 3.5Å; E314-N316 PolarHBondContact OE1-ND2 2.98Å; E314-N316 PolarHBondContact OE1-OD1 3.39Å
315V95.9Very high91.8Very high3 Ų348.5 Ų48.52%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-117.4122.8167.3-175.80000107.7L76 G77 L82 Y298 F300 L312L76-V315 HydrophobicContact CD1-CG2 4.36Å; L76-V315 HydrophobicContact CD2-CG1 3.86Å; L76-V315 HydrophobicContact CG-CB 4.11Å; L76-V315 HydrophobicContact CG-CG1 3.9Å; L76-V315 HydrophobicContact CG-CG2 4.21Å; G77-V315 VanDerWaalsContact CA-O 3.28Å; G77-V315 WeakPolarHBondContact CA-O 3.38Å; L82-V315 HydrophobicContact CD2-CG2 4.08Å; Y298-V315 HydrophobicContact CD1-CG1 3.8Å; Y298-V315 HydrophobicContact CG-CG1 4.08Å; F300-V315 HydrophobicContact CD1-CG2 3.82Å; F300-V315 HydrophobicContact CD2-CG1 3.98Å; F300-V315 HydrophobicContact CD2-CG2 4.36Å; F300-V315 HydrophobicContact CE1-CG2 3.62Å; F300-V315 HydrophobicContact CE2-CG1 3.76Å; F300-V315 HydrophobicContact CE2-CG2 4.19Å; F300-V315 HydrophobicContact CG-CG2 4.19Å; F300-V315 HydrophobicContact CZ-CG1 4.13Å; F300-V315 HydrophobicContact CZ-CG2 3.82Å; L312-V315 HydrophobicContact CD1-CG2 4.01Å; L312-V315 HydrophobicContact CD2-CG2 4.39Å
316N93.8Very high91.4Very high30 Ų3056.4 Ų56.416%0.1629%0.293CS..EExtended strand (participates in β ladder)trans-92.8121.8179.6-76.2-61000110R176 Y298 G299 D301 E314R176-N316 PolarHBondContact NH2-ND2 2.8Å; Y298-N316 WeakPolarHBondContact CA-O 3.45Å; G299-N316 PolarHBondContact N-O 3.35Å; G299-N316 PolarHBondContact O-N 3.21Å; D301-N316 PolarHBondContact OD1-ND2 2.8Å; D301-N316 PolarHBondContact OD2-ND2 2.74Å; E314-N316 PolarHBondContact OE1-ND2 2.98Å; E314-N316 PolarHBondContact OE1-OD1 3.39Å
317I91.8Very high91.1Very high44 Ų4454.4 Ų54.423%0.22628%0.278CS..EExtended strand (participates in β ladder)trans-74.1134.2165.4-47.4-174.5000107.5N73 E296N73-I317 HydrophobicContact CB-CD1 4.17Å; N73-I317 HydrophobicContact CB-CG2 4.44Å; N73-I317 WeakPolarHBondContact ND2-CG2 3.31Å; N73-I317 WeakPolarHBondContact O-CD1 3.23Å; E296-I317 WeakPolarHBondContact OE1-CG2 3.36Å
318S86.6Confident90.9Very high67 Ų6747.9 Ų47.947%0.46925%0.247SC..SBendtrans55.161.1-179.5-42.60000112.3H69H69-S318 PolarHBondContact CE1-OG 3.44Å; H69-S318 PolarHBondContact NE2-OG 3.47Å
319P91.4Very high90.6Very high11 Ų1148.6 Ų48.67%0.07126%0.255CS..  trans-56.2146.1177.227.7-35.1000110.7Y178 L297 V321Y178-P319 HydrophobicContact CD1-CB 4.45Å; Y178-P319 HydrophobicContact CD1-CG 4.12Å; Y178-P319 HydrophobicContact CE1-CB 4.1Å; Y178-P319 HydrophobicContact CE1-CG 4.19Å; L297-P319 HydrophobicContact CD2-CG 3.99Å; L297-P319 HydrophobicContact CG-CG 3.99Å; L297-P319 WeakPolarHBondContact O-CD 3.34Å; P319-V321 PolarHBondContact O-N 3.46Å; P319-V321 VanDerWaalsContact O-N 3.09Å
320S86.8Confident90.3Very high74 Ų7447.4 Ų47.452%0.51727%0.265SS..  trans-62.3116.3-179.5176.90000111R322 K332S320-R322 VanDerWaalsContact C-N 3.35Å; S320-R322 PolarHBondContact OG-N 3.4Å; S320-K332 WeakPolarHBondContact O-CE 3.34Å; S320-K332 PolarHBondContact O-NZ 3.4Å
321V83.5Confident90.1Very high12 Ų1247.2 Ų47.27%0.07326%0.264CS..  trans-95.715.3172.5-64.70000112.6P30 L297 P319 V336P30-V321 HydrophobicContact CB-CG2 3.67Å; P30-V321 HydrophobicContact CG-CG2 3.36Å; L297-V321 HydrophobicContact CD2-CG1 4.38Å; P319-V321 PolarHBondContact O-N 3.46Å; P319-V321 VanDerWaalsContact O-N 3.09Å; V321-V336 HydrophobicContact CB-CG2 3.92Å; V321-V336 HydrophobicContact CG1-CG2 3.85Å; V321-V336 HydrophobicContact CG2-CG2 4.41Å
322R83.9Confident89.8Confident193 Ų19346.9 Ų46.973%0.72826%0.263SS*.  trans-71.1134.9172.9-177.5176.5177.5174.6-0.3110.1S320 K332S320-R322 VanDerWaalsContact C-N 3.35Å; S320-R322 PolarHBondContact OG-N 3.4Å; R322-K332 WeakPolarHBondContact O-CD 3.15Å; R322-K332 PolarHBondContact O-NZ 3.5Å
323C83.9Confident89.4Confident39 Ų3949.2 Ų49.226%0.26428%0.277SS..  trans-92.1117.8171-47.40000110.4D328 C329C323-D328 HydrophobicContact CB-CB 4.16Å; C323-C329 HydrophobicContact CB-CB 4.39Å; C323-C329 WeakPolarHBondContact CB-SG 3.31Å
324S82.2Confident89.2Confident69 Ų6948.4 Ų48.448%0.48328%0.275SS..  trans-113.4-18.8177.254.90000113.9K241 D328K241-S324 PolarHBondContact NZ-OG 2.93Å; S324-D328 WeakPolarHBondContact CB-OD2 3.3Å; S324-D328 PolarHBondContact N-OD2 2.86Å; S324-D328 PolarHBondContact OG-OD2 2.95Å
325N84.4Confident89.3Confident38 Ų3847.3 Ų47.320%0.20327%0.27CS..SBendtrans-147.3177.8176.261.315.2000110K241 V327 D328 C329K241-N325 PolarHBondContact NZ-ND2 2.86Å; N325-V327 PolarHBondContact O-N 3Å; N325-D328 PolarHBondContact N-OD2 2.61Å; N325-D328 WeakPolarHBondContact O-CB 3.23Å; N325-D328 PolarHBondContact O-N 2.97Å; N325-D328 WeakPolarHBondContact OD1-CB 3.21Å; N325-D328 PolarHBondContact OD1-N 2.89Å; N325-D328 PolarHBondContact OD1-OD2 2.85Å; N325-D328 VanDerWaalsContact OD1-OD2 3.12Å; N325-C329 PolarHBondContact O-N 3.21Å
326E88.4Confident89.1Confident171 Ų17147.1 Ų47.180%0.79927%0.269SS*.Hα-helixtrans-60.6-42.7-176.9-64.8-177.9172.900112.8D328 C329 A330E326-D328 VanDerWaalsContact C-N 3.32Å; E326-D328 PolarHBondContact O-N 3Å; E326-C329 WeakPolarHBondContact O-CB 3.32Å; E326-C329 PolarHBondContact O-N 2.81Å; E326-C329 VanDerWaalsContact O-N 3.1Å; E326-A330 WeakPolarHBondContact O-CB 3.47Å; E326-A330 PolarHBondContact O-N 2.98Å
327V90.8Very high88.9Confident25 Ų2550.4 Ų50.415%0.15228%0.283CS..Hα-helixtrans-56.9-46.2174.9174.20000111K241 T243 N325 C329 A330 V331K241-V327 HydrophobicContact CB-CB 4.48Å; K241-V327 HydrophobicContact CB-CG1 4.19Å; T243-V327 HydrophobicContact CG2-CG1 4.01Å; N325-V327 PolarHBondContact O-N 3Å; V327-C329 PolarHBondContact O-N 2.56Å; V327-A330 PolarHBondContact O-N 2.84Å; V327-V331 WeakPolarHBondContact O-CG2 3.49Å; V327-V331 PolarHBondContact O-N 2.82Å
328D91Very high89Confident3 Ų349 Ų492%0.01628%0.276CS..Hα-helixtrans-62-43.9176-69.8-47.9000111.6I196 K241 C323 S324 N325 E326 K332I196-D328 WeakPolarHBondContact CD1-OD1 3.31Å; K241-D328 IonicContact NZ-OD1 3.66Å; K241-D328 PolarHBondContact NZ-OD1 3.42Å; K241-D328 VanDerWaalsContact NZ-OD1 3.1Å; K241-D328 IonicContact NZ-OD2 3.65Å; K241-D328 PolarHBondContact NZ-OD2 3.37Å; C323-D328 HydrophobicContact CB-CB 4.16Å; S324-D328 WeakPolarHBondContact CB-OD2 3.3Å; S324-D328 PolarHBondContact N-OD2 2.86Å; S324-D328 PolarHBondContact OG-OD2 2.95Å; N325-D328 PolarHBondContact N-OD2 2.61Å; N325-D328 WeakPolarHBondContact O-CB 3.23Å; N325-D328 PolarHBondContact O-N 2.97Å; N325-D328 WeakPolarHBondContact OD1-CB 3.21Å; N325-D328 PolarHBondContact OD1-N 2.89Å; N325-D328 PolarHBondContact OD1-OD2 2.85Å; N325-D328 VanDerWaalsContact OD1-OD2 3.12Å; E326-D328 VanDerWaalsContact C-N 3.32Å; E326-D328 PolarHBondContact O-N 3Å; D328-K332 HydrophobicContact CB-CD 4.05Å; D328-K332 WeakPolarHBondContact O-CB 3.04Å; D328-K332 WeakPolarHBondContact O-CG 2.85Å; D328-K332 PolarHBondContact O-N 3.4Å; D328-K332 IonicContact OD1-NZ 2.97Å; D328-K332 PolarHBondContact OD1-NZ 3.17Å; D328-K332 IonicContact OD2-NZ 3.55Å
329C89.3Confident89.3Confident59 Ų5945.8 Ų45.840%0.39925%0.254SS..Hα-helixtrans-61-47.6179.1-74.70000111.6C323 N325 E326 V327 V331 T333C323-C329 HydrophobicContact CB-CB 4.39Å; C323-C329 WeakPolarHBondContact CB-SG 3.31Å; N325-C329 PolarHBondContact O-N 3.21Å; E326-C329 WeakPolarHBondContact O-CB 3.32Å; E326-C329 PolarHBondContact O-N 2.81Å; E326-C329 VanDerWaalsContact O-N 3.1Å; V327-C329 PolarHBondContact O-N 2.56Å; C329-V331 VanDerWaalsContact C-N 3.32Å; C329-V331 PolarHBondContact O-N 2.7Å; C329-T333 VanDerWaalsContact O-CB 3.22Å; C329-T333 WeakPolarHBondContact O-CB 3.35Å; C329-T333 PolarHBondContact O-N 3.05Å; C329-T333 PolarHBondContact O-OG1 3.45Å
330A89.9Confident89.2Confident66 Ų6646.4 Ų46.455%0.54526%0.256SS..Hα-helixtrans-60.1-42.5-177.800000111.9E326 V327 S334E326-A330 WeakPolarHBondContact O-CB 3.47Å; E326-A330 PolarHBondContact O-N 2.98Å; V327-A330 PolarHBondContact O-N 2.84Å; A330-S334 PolarHBondContact O-OG 2.94Å
331V93.5Very high89.4Confident2 Ų246.3 Ų46.31%0.01225%0.25CC..Hα-helixtrans-82.5-52.5-177.4176.70000111.9Y178 E194 I196 T243 V327 C329 T333 S334 L335Y178-V331 HydrophobicContact CD2-CG1 4.38Å; Y178-V331 HydrophobicContact CE2-CG1 3.82Å; E194-V331 HydrophobicContact CB-CG1 4.1Å; E194-V331 HydrophobicContact CB-CG2 4.25Å; E194-V331 HydrophobicContact CG-CG2 4.47Å; I196-V331 HydrophobicContact CG1-CG1 4.37Å; T243-V331 HydrophobicContact CG2-CG2 4.13Å; V327-V331 WeakPolarHBondContact O-CG2 3.49Å; V327-V331 PolarHBondContact O-N 2.82Å; C329-V331 VanDerWaalsContact C-N 3.32Å; C329-V331 PolarHBondContact O-N 2.7Å; V331-T333 PolarHBondContact O-N 3.34Å; V331-S334 PolarHBondContact O-OG 3.48Å; V331-L335 VanDerWaalsContact O-CB 3.24Å; V331-L335 WeakPolarHBondContact O-CB 3.37Å; V331-L335 PolarHBondContact O-N 2.99Å; V331-L335 VanDerWaalsContact O-N 3.14Å
332K92.5Very high89.7Confident13 Ų1345.7 Ų45.76%0.05725%0.246CC..Hα-helixtrans-77.1-24.8-166.7-67.8163.5174.3165.90113.8Y178 S320 R322 D328 V336Y178-K332 WeakPolarHBondContact OH-CE 3.49Å; S320-K332 WeakPolarHBondContact O-CE 3.34Å; S320-K332 PolarHBondContact O-NZ 3.4Å; R322-K332 WeakPolarHBondContact O-CD 3.15Å; R322-K332 PolarHBondContact O-NZ 3.5Å; D328-K332 HydrophobicContact CB-CD 4.05Å; D328-K332 WeakPolarHBondContact O-CB 3.04Å; D328-K332 WeakPolarHBondContact O-CG 2.85Å; D328-K332 PolarHBondContact O-N 3.4Å; D328-K332 IonicContact OD1-NZ 2.97Å; D328-K332 PolarHBondContact OD1-NZ 3.17Å; D328-K332 IonicContact OD2-NZ 3.55Å; K332-V336 VanDerWaalsContact O-CG2 3.3Å; K332-V336 WeakPolarHBondContact O-CG2 3.2Å; K332-V336 PolarHBondContact O-N 3.01Å
333T89.3Confident89.9Confident52 Ų5236.6 Ų36.632%0.31921%0.212SC..Hα-helixtrans-64.8-56.6178.5-540000111.1I32 M36 C329 V331 L335 V336 Q337I32-T333 VanDerWaalsContact CD1-CA 3.41Å; I32-T333 HydrophobicContact CD1-CG2 3.8Å; I32-T333 VanDerWaalsContact CD1-OG1 3.23Å; I32-T333 WeakPolarHBondContact CD1-OG1 3.26Å; I32-T333 HydrophobicContact CG1-CG2 4.43Å; M36-T333 HydrophobicContact CE-CG2 4.23Å; M36-T333 WeakPolarHBondContact CE-O 3.44Å; C329-T333 VanDerWaalsContact O-CB 3.22Å; C329-T333 WeakPolarHBondContact O-CB 3.35Å; C329-T333 PolarHBondContact O-N 3.05Å; C329-T333 PolarHBondContact O-OG1 3.45Å; V331-T333 PolarHBondContact O-N 3.34Å; T333-L335 VanDerWaalsContact C-N 3.31Å; T333-L335 PolarHBondContact O-N 3.36Å; T333-V336 PolarHBondContact O-N 2.52Å; T333-Q337 PolarHBondContact O-N 3.5Å
334S91.5Very high89.8Confident22 Ų2235.5 Ų35.515%0.15421%0.207CC..Hα-helixtrans-63.2-39.3177.252.10000111.4Y192 A330 V331 V336 Q337 D338Y192-S334 WeakPolarHBondContact OH-CB 3.25Å; Y192-S334 PolarHBondContact OH-OG 3.38Å; A330-S334 PolarHBondContact O-OG 2.94Å; V331-S334 PolarHBondContact O-OG 3.48Å; S334-V336 PolarHBondContact O-N 2.83Å; S334-Q337 PolarHBondContact O-N 3.4Å; S334-D338 WeakPolarHBondContact O-CB 3.47Å; S334-D338 PolarHBondContact O-N 2.91Å
335L94.3Very high89.7Confident0 Ų033.7 Ų33.70%019%0.193CC..Hα-helixtrans-55.1-50.5176.7173.869.7000112.4Y178 Y192 L297 V331 T333 D338 V339 F388Y178-L335 HydrophobicContact CD1-CD2 3.55Å; Y178-L335 HydrophobicContact CD2-CD1 4.41Å; Y178-L335 HydrophobicContact CD2-CD2 3.75Å; Y178-L335 HydrophobicContact CE1-CD2 3.73Å; Y178-L335 HydrophobicContact CE2-CD2 3.94Å; Y178-L335 HydrophobicContact CG-CD1 4.05Å; Y178-L335 HydrophobicContact CG-CD2 3.55Å; Y178-L335 HydrophobicContact CG-CG 4.47Å; Y192-L335 HydrophobicContact CD1-CB 4.21Å; Y192-L335 HydrophobicContact CD1-CD1 3.71Å; Y192-L335 HydrophobicContact CD2-CD1 3.66Å; Y192-L335 HydrophobicContact CE1-CB 3.8Å; Y192-L335 HydrophobicContact CE1-CD1 4.11Å; Y192-L335 HydrophobicContact CE2-CB 4.36Å; Y192-L335 HydrophobicContact CE2-CD1 4.07Å; Y192-L335 HydrophobicContact CG-CD1 3.48Å; Y192-L335 VanDerWaalsContact CG-CD1 3.48Å; Y192-L335 VanDerWaalsContact CZ-CA 3.47Å; Y192-L335 PolarHBondContact OH-N 2.93Å; L297-L335 HydrophobicContact CD1-CD1 4.25Å; L297-L335 HydrophobicContact CD2-CD2 4.19Å; L297-L335 HydrophobicContact CD2-CG 4.44Å; V331-L335 VanDerWaalsContact O-CB 3.24Å; V331-L335 WeakPolarHBondContact O-CB 3.37Å; V331-L335 PolarHBondContact O-N 2.99Å; V331-L335 VanDerWaalsContact O-N 3.14Å; T333-L335 VanDerWaalsContact C-N 3.31Å; T333-L335 PolarHBondContact O-N 3.36Å; L335-D338 PolarHBondContact O-N 3.25Å; L335-V339 HydrophobicContact CD1-CG2 4.35Å; L335-V339 VanDerWaalsContact O-CG2 3.23Å; L335-V339 WeakPolarHBondContact O-CG2 3.48Å; L335-V339 PolarHBondContact O-N 2.76Å; L335-F388 HydrophobicContact CD1-CE1 4.25Å; L335-F388 HydrophobicContact CD1-CE2 4.17Å; L335-F388 HydrophobicContact CD1-CZ 3.5Å
336V91.8Very high89.2Confident0 Ų037.9 Ų37.90%021%0.211CC..Hα-helixtrans-66.1-41.3-177.4169.30000111I32 V33 M36 V321 K332 T333 S334 D338 V339 L340I32-V336 HydrophobicContact CG2-CB 4.37Å; I32-V336 HydrophobicContact CG2-CG1 4.24Å; I32-V336 HydrophobicContact CG2-CG2 4.07Å; V33-V336 HydrophobicContact CB-CG1 4.49Å; V33-V336 HydrophobicContact CG2-CG1 3.48Å; V33-V336 VanDerWaalsContact CG2-CG1 3.48Å; M36-V336 HydrophobicContact SD-CG1 3.91Å; V321-V336 HydrophobicContact CB-CG2 3.92Å; V321-V336 HydrophobicContact CG1-CG2 3.85Å; V321-V336 HydrophobicContact CG2-CG2 4.41Å; K332-V336 VanDerWaalsContact O-CG2 3.3Å; K332-V336 WeakPolarHBondContact O-CG2 3.2Å; K332-V336 PolarHBondContact O-N 3.01Å; T333-V336 PolarHBondContact O-N 2.52Å; S334-V336 PolarHBondContact O-N 2.83Å; V336-D338 PolarHBondContact O-N 3.26Å; V336-V339 PolarHBondContact O-N 3.29Å; V336-L340 HydrophobicContact CG1-CD1 4.29Å; V336-L340 WeakPolarHBondContact O-CG 3.26Å; V336-L340 PolarHBondContact O-N 2.94Å
337Q90Very high88.2Confident98 Ų9832.2 Ų32.246%0.45819%0.188SC..Hα-helixtrans-58.2-49.4176.1-175.7176.8-2.500110.9M36 T333 S334 V339 L340 N341M36-Q337 HydrophobicContact CE-CB 3.75Å; M36-Q337 HydrophobicContact SD-CB 4.1Å; T333-Q337 PolarHBondContact O-N 3.5Å; S334-Q337 PolarHBondContact O-N 3.4Å; Q337-V339 PolarHBondContact O-N 3.07Å; Q337-L340 PolarHBondContact O-N 3.21Å; Q337-L340 VanDerWaalsContact O-N 3.17Å; Q337-N341 VanDerWaalsContact O-CG 3.31Å; Q337-N341 PolarHBondContact O-N 2.92Å; Q337-N341 PolarHBondContact O-ND2 3.44Å
338D93.6Very high86.8Confident15 Ų1532.7 Ų32.78%0.0819%0.192CC..Hα-helixtrans-68.1-34.2-178.1-71.5-14.1000112.3Y192 S334 L335 V336 L340 N341 I342 K387 F388Y192-D338 HydrophobicContact CE2-CB 4.19Å; S334-D338 WeakPolarHBondContact O-CB 3.47Å; S334-D338 PolarHBondContact O-N 2.91Å; L335-D338 PolarHBondContact O-N 3.25Å; V336-D338 PolarHBondContact O-N 3.26Å; D338-L340 VanDerWaalsContact C-N 3.34Å; D338-L340 PolarHBondContact O-N 3.29Å; D338-N341 PolarHBondContact O-N 3.45Å; D338-I342 WeakPolarHBondContact O-CB 3.46Å; D338-I342 WeakPolarHBondContact O-CG2 3.06Å; D338-I342 PolarHBondContact O-N 3.04Å; D338-K387 PolarHBondContact OD2-N 2.98Å; D338-F388 HydrophobicContact CB-CD2 3.78Å; D338-F388 HydrophobicContact CB-CE2 3.79Å
339V93.6Very high85.3Confident0 Ų035.8 Ų35.80%021%0.214CC..Hα-helixtrans-61.2-43.1171.61700000111.1W49 L180 Y295 L297 L335 V336 Q337 I342 S343 F388W49-V339 HydrophobicContact CH2-CG1 4.03Å; W49-V339 HydrophobicContact CZ3-CG1 3.73Å; L180-V339 HydrophobicContact CD1-CG1 4.06Å; L180-V339 HydrophobicContact CD1-CG2 4.38Å; L180-V339 HydrophobicContact CD2-CG2 4.48Å; Y295-V339 HydrophobicContact CD2-CG1 4.23Å; Y295-V339 HydrophobicContact CE2-CG1 3.9Å; L297-V339 HydrophobicContact CD1-CG2 3.94Å; L297-V339 HydrophobicContact CD2-CG2 4.26Å; L335-V339 HydrophobicContact CD1-CG2 4.35Å; L335-V339 VanDerWaalsContact O-CG2 3.23Å; L335-V339 WeakPolarHBondContact O-CG2 3.48Å; L335-V339 PolarHBondContact O-N 2.76Å; V336-V339 PolarHBondContact O-N 3.29Å; Q337-V339 PolarHBondContact O-N 3.07Å; V339-I342 WeakPolarHBondContact O-CG2 3.28Å; V339-S343 VanDerWaalsContact O-CB 3.25Å; V339-S343 WeakPolarHBondContact O-CB 3.39Å; V339-S343 PolarHBondContact O-N 3.1Å; V339-F388 HydrophobicContact CG2-CE2 3.66Å; V339-F388 HydrophobicContact CG2-CZ 3.52Å
340L89.6Confident83.5Confident23 Ų2339.9 Ų39.912%0.1223%0.232CC..Hα-helixtrans-67.3-43.1177.7-67174.1000110.8W23 V33 M36 L37 W49 V336 Q337 D338 S343 G344W23-L340 HydrophobicContact CH2-CD2 3.53Å; W23-L340 HydrophobicContact CZ2-CD2 4.17Å; W23-L340 HydrophobicContact CZ3-CD2 4.26Å; V33-L340 HydrophobicContact CG1-CD1 4.39Å; M36-L340 HydrophobicContact CB-CD1 4.37Å; M36-L340 HydrophobicContact SD-CD1 4.24Å; L37-L340 HydrophobicContact CD2-CD1 4.33Å; W49-L340 HydrophobicContact CE3-CD2 4.24Å; W49-L340 HydrophobicContact CZ3-CD2 4.43Å; V336-L340 HydrophobicContact CG1-CD1 4.29Å; V336-L340 WeakPolarHBondContact O-CG 3.26Å; V336-L340 PolarHBondContact O-N 2.94Å; Q337-L340 PolarHBondContact O-N 3.21Å; Q337-L340 VanDerWaalsContact O-N 3.17Å; D338-L340 VanDerWaalsContact C-N 3.34Å; D338-L340 PolarHBondContact O-N 3.29Å; L340-S343 PolarHBondContact O-N 2.92Å; L340-S343 PolarHBondContact O-OG 2.98Å; L340-G344 PolarHBondContact O-N 3.11Å
341N89.5Confident81.2Confident72 Ų7243.4 Ų43.439%0.38524%0.242SC..Hα-helixtrans-57.9-52.4177.6-72.9-22.8000111.9Q337 D338 S343 G344 R384Q337-N341 VanDerWaalsContact O-CG 3.31Å; Q337-N341 PolarHBondContact O-N 2.92Å; Q337-N341 PolarHBondContact O-ND2 3.44Å; D338-N341 PolarHBondContact O-N 3.45Å; N341-S343 VanDerWaalsContact C-N 3.34Å; N341-S343 PolarHBondContact O-N 2.95Å; N341-G344 PolarHBondContact O-N 3.15Å; N341-R384 WeakPolarHBondContact CB-O 3.35Å; N341-R384 PolarHBondContact O-NH1 3.47Å
342I90.8Very high78.6Confident0 Ų048 Ų480%027%0.265CS..Hα-helixtrans-70.5-31.7-178.1-162.9174.9000111.7L180 Y190 D338 V339 G344 E381 R384 R385L180-I342 HydrophobicContact CD2-CB 4.35Å; L180-I342 HydrophobicContact CD2-CD1 4.18Å; L180-I342 HydrophobicContact CD2-CG2 3.03Å; Y190-I342 HydrophobicContact CD1-CD1 3.9Å; Y190-I342 HydrophobicContact CD2-CD1 3.63Å; Y190-I342 HydrophobicContact CE1-CD1 3.85Å; Y190-I342 HydrophobicContact CE2-CD1 3.61Å; Y190-I342 HydrophobicContact CG-CD1 3.82Å; D338-I342 WeakPolarHBondContact O-CB 3.46Å; D338-I342 WeakPolarHBondContact O-CG2 3.06Å; D338-I342 PolarHBondContact O-N 3.04Å; V339-I342 WeakPolarHBondContact O-CG2 3.28Å; I342-G344 PolarHBondContact O-N 3.26Å; I342-G344 VanDerWaalsContact O-N 3.15Å; I342-E381 HydrophobicContact CD1-CG 4.3Å; I342-E381 HydrophobicContact CG1-CG 3.5Å; I342-E381 VanDerWaalsContact CG1-CG 3.5Å; I342-R384 PolarHBondContact O-NH1 3.26Å; I342-R385 HydrophobicContact CD1-CB 3.93Å
343S87.3Confident75.6Confident2 Ų252.5 Ų52.51%0.01429%0.294CS..Hα-helixtrans-57.3-31.5174.679.70000111.7K66 V339 L340 N341K66-S343 VanDerWaalsContact CD-O 3.26Å; K66-S343 WeakPolarHBondContact CD-O 2.97Å; K66-S343 WeakPolarHBondContact CE-O 3.47Å; K66-S343 PolarHBondContact NZ-O 2.78Å; V339-S343 VanDerWaalsContact O-CB 3.25Å; V339-S343 WeakPolarHBondContact O-CB 3.39Å; V339-S343 PolarHBondContact O-N 3.1Å; L340-S343 PolarHBondContact O-N 2.92Å; L340-S343 PolarHBondContact O-OG 2.98Å; N341-S343 VanDerWaalsContact C-N 3.34Å; N341-S343 PolarHBondContact O-N 2.95Å
344G82.8Confident72.8Confident15 Ų1556.4 Ų56.416%0.15531%0.312CS..  trans59.655.5172.100000112.9L340 N341 I342 Q346 R384L340-G344 PolarHBondContact O-N 3.11Å; N341-G344 PolarHBondContact O-N 3.15Å; I342-G344 PolarHBondContact O-N 3.26Å; I342-G344 VanDerWaalsContact O-N 3.15Å; G344-Q346 PolarHBondContact O-N 3.09Å; G344-Q346 VanDerWaalsContact O-N 3.12Å; G344-R384 VanDerWaalsContact N-NH1 3.14Å
345V79.9Confident69.8Low31 Ų3163.4 Ų63.419%0.18834%0.343CS..  trans-62.7112.9169.6-179.70000107.7W23 V46 K66W23-V345 HydrophobicContact CH2-CG2 3.83Å; W23-V345 HydrophobicContact CZ2-CB 4.38Å; W23-V345 HydrophobicContact CZ2-CG2 3.74Å; V46-V345 HydrophobicContact CB-CG1 4.09Å; V46-V345 HydrophobicContact CG2-CG1 3.67Å; K66-V345 HydrophobicContact CB-CG2 4.29Å; K66-V345 HydrophobicContact CD-CG2 4.33Å
346Q73.6Confident66.6Low126 Ų12666.7 Ų66.759%0.58937%0.37SS*.PPolyproline II helixtrans-95.5148.7-178.6-69.2179.2-2.900110.5G344G344-Q346 PolarHBondContact O-N 3.09Å; G344-Q346 VanDerWaalsContact O-N 3.12Å
347V67.5Low63.5Low52 Ų5274.9 Ų74.932%0.31541%0.408SS..PPolyproline II helixtrans-70128.1165.5-176.30000107.3I17 K20 L21 S349I17-V347 HydrophobicContact CG2-CG2 3.92Å; K20-V347 HydrophobicContact CB-CG1 3.82Å; K20-V347 HydrophobicContact CD-CG1 3.68Å; K20-V347 HydrophobicContact CG-CG1 4.4Å; L21-V347 HydrophobicContact CD1-CG2 4.35Å; L21-V347 HydrophobicContact CD2-CG2 3.6Å; L21-V347 HydrophobicContact CG-CG2 3.86Å; V347-S349 PolarHBondContact O-N 2.76Å
348P61Low60.6Low35 Ų3577 Ų7723%0.22743%0.428CS..PPolyproline II helixtrans-56.4124176.5-16.224.7000109.4V46 F64V46-P348 HydrophobicContact CG1-CG 3.83Å; F64-P348 HydrophobicContact CB-CB 3.94Å; F64-P348 HydrophobicContact CB-CG 3.86Å; F64-P348 HydrophobicContact CD2-CG 3.84Å; F64-P348 HydrophobicContact CG-CB 4.17Å; F64-P348 HydrophobicContact CG-CG 3.87Å
349S59.1Low57.7Low69 Ų6979.5 Ų79.548%0.48344%0.441SS..PPolyproline II helixtrans-73.6147.4164.9540000109V347 D351V347-S349 PolarHBondContact O-N 2.76Å; S349-D351 PolarHBondContact O-N 3.3Å; S349-D351 VanDerWaalsContact O-N 3.14Å; S349-D351 PolarHBondContact OG-O 3.01Å
350D52.8Low54.9Low145 Ų14585.4 Ų85.478%0.77547%0.472SS*.SBendtrans-65.1-17.2179.6-61-33.9000111.9K20K20-D350 IonicContact NZ-OD1 2.83Å
351D40.9Very low52.3Low139 Ų13991.4 Ų91.474%0.74350%0.503SS*.  trans-117.5115.9171.9-68.5-48.6000111.2S349S349-D351 PolarHBondContact O-N 3.3Å; S349-D351 VanDerWaalsContact O-N 3.14Å; S349-D351 PolarHBondContact OG-O 3.01Å
352L39.1Very low50.6Low98 Ų9890 Ų9051%0.51350%0.499SS..  trans-132.396.7167.9-97.1161.6000110
353V29.8Very low49.3Very low108 Ų10890.9 Ų90.966%0.65550%0.504SS*.  trans-99.6127.9172.1176.70000109.7
354L30.3Very low48.3Very low135 Ų13592.3 Ų92.371%0.70751%0.511SS*.  trans-88.7128.2170.5-72.5164.5000109.9
355Q29.2Very low47.7Very low169 Ų16997.4 Ų97.479%0.7954%0.535SS*.  trans-145135.5157.1-73.2-171.3-9.300109.9
356A25.7Very low47.1Very low69 Ų69100.6 Ų100.657%0.5755%0.551SS**  trans-135.2132.1166.400000108.3Y370A356-Y370 HydrophobicContact CB-CD2 3.77Å; A356-Y370 HydrophobicContact CB-CE2 3.76Å; A356-Y370 HydrophobicContact CB-CG 4.27Å
357Q28.4Very low47.1Very low172 Ų17295.9 Ų95.980%0.80453%0.529SS*.  trans-131.8150.8168.5-88-175.9-15.200109.1
358T27.4Very low47.2Very low143 Ų14394.6 Ų94.688%0.87752%0.522SS*.  trans-82.1146.9-172.632.90000113.8
359I33.9Very low47.5Very low67 Ų6796.3 Ų96.334%0.34454%0.535SS..  trans-136.5158.6172-77.6-155.3000112.5T368I359-T368 HydrophobicContact CB-CG2 4.17Å; I359-T368 HydrophobicContact CD1-CG2 3.11Å; I359-T368 HydrophobicContact CG1-CG2 3.35Å
360D34.3Very low48Very low123 Ų12397.2 Ų97.266%0.65853%0.528SS*.  trans-83.6166.1178.9-172.419.9000114.7S362D360-S362 VanDerWaalsContact C-N 3.25Å; D360-S362 PolarHBondContact O-N 3.41Å
361L34.6Very low49Very low149 Ų14990.3 Ų90.378%0.7849%0.491SS*.SBendtrans-65.58.3-159.7-70.6156000117.9I363L361-I363 PolarHBondContact O-N 3.16Å; L361-I363 VanDerWaalsContact O-N 3.14Å
362S54.5Low50.5Low43 Ų4383.9 Ų83.930%0.30146%0.457SS..  trans-83.540.2166.169.10000111.9D360 L364 N365 N366D360-S362 VanDerWaalsContact C-N 3.25Å; D360-S362 PolarHBondContact O-N 3.41Å; S362-L364 VanDerWaalsContact C-N 3.32Å; S362-L364 PolarHBondContact O-N 2.99Å; S362-N365 WeakPolarHBondContact O-CA 3.45Å; S362-N365 WeakPolarHBondContact O-CB 3.35Å; S362-N365 PolarHBondContact O-N 3.18Å; S362-N366 PolarHBondContact O-N 3.19Å; S362-N366 PolarHBondContact OG-ND2 2.86Å; S362-N366 VanDerWaalsContact OG-ND2 3.09Å
363I62.8Low52.1Low19 Ų1985.1 Ų85.110%0.09746%0.455CS..THydrogen-bonded Turntrans-56.1-35.7-148.5-141.8166.4000115.2L361 L367 Y409 L412 L413 A416L361-I363 PolarHBondContact O-N 3.16Å; L361-I363 VanDerWaalsContact O-N 3.14Å; I363-L367 WeakPolarHBondContact O-CD2 3.49Å; I363-Y409 HydrophobicContact CD1-CD2 3.65Å; I363-Y409 HydrophobicContact CD1-CE2 3.14Å; I363-Y409 HydrophobicContact CG1-CD2 4.45Å; I363-Y409 HydrophobicContact CG1-CE2 3.48Å; I363-Y409 VanDerWaalsContact CG1-CE2 3.48Å; I363-Y409 WeakPolarHBondContact CG1-OH 3.28Å; I363-L412 HydrophobicContact CD1-CB 4.44Å; I363-L413 HydrophobicContact CD1-CB 3.86Å; I363-L413 HydrophobicContact CD1-CD1 4.42Å; I363-L413 HydrophobicContact CG1-CB 4.39Å; I363-L413 HydrophobicContact CG1-CD1 4.03Å; I363-L413 HydrophobicContact CG2-CD1 4.24Å; I363-A416 HydrophobicContact CG2-CB 4.22Å
364L67.5Low54.4Low32 Ų3281.4 Ų81.417%0.16843%0.43CS..THydrogen-bonded Turntrans-90.7-18.6178.3-63.8-176.2000113.3S362 L367 L413 A416 W417 R420S362-L364 VanDerWaalsContact C-N 3.32Å; S362-L364 PolarHBondContact O-N 2.99Å; L364-L367 HydrophobicContact CD2-CD2 4.24Å; L364-L413 HydrophobicContact CD2-CD1 4.08Å; L364-A416 HydrophobicContact CD1-CB 4.25Å; L364-A416 HydrophobicContact CG-CB 4.4Å; L364-W417 HydrophobicContact CD2-CE3 3.95Å; L364-R420 HydrophobicContact CD1-CB 4.26Å
365N69.3Low56.9Low122 Ų12275 Ų7565%0.65240%0.396SS*.THydrogen-bonded Turntrans-81.5-27179.9-62.2-18.8000111.6S362S362-N365 WeakPolarHBondContact O-CA 3.45Å; S362-N365 WeakPolarHBondContact O-CB 3.35Å; S362-N365 PolarHBondContact O-N 3.18Å
366N68.6Low59.2Low98 Ų9868.1 Ų68.152%0.52437%0.365SS..SBendtrans-130.969.3179.5-71-37.5000110.4S362 T368S362-N366 PolarHBondContact O-N 3.19Å; S362-N366 PolarHBondContact OG-ND2 2.86Å; S362-N366 VanDerWaalsContact OG-ND2 3.09Å; N366-T368 PolarHBondContact O-N 2.81Å
367L72.1Confident61.8Low26 Ų2668.1 Ų68.114%0.13636%0.355CS..  trans-70.4124.9176.8-67.6169.3000110.7I363 L364 D371 I372 L375 L413 W417 V431I363-L367 WeakPolarHBondContact O-CD2 3.49Å; L364-L367 HydrophobicContact CD2-CD2 4.24Å; L367-D371 HydrophobicContact CB-CB 4.36Å; L367-D371 HydrophobicContact CD2-CB 3.86Å; L367-I372 HydrophobicContact CB-CD1 4.23Å; L367-I372 HydrophobicContact CB-CG1 3.87Å; L367-I372 HydrophobicContact CD1-CG1 4.41Å; L367-L375 HydrophobicContact CD1-CD1 4.36Å; L367-L375 HydrophobicContact CD2-CD1 3.9Å; L367-L413 HydrophobicContact CD2-CD1 3.82Å; L367-W417 HydrophobicContact CD1-CZ3 4.47Å; L367-V431 HydrophobicContact CD1-CG1 4.13Å
368T69.9Low64.5Low26 Ų2660 Ų6016%0.1632%0.317CS..  trans-68.8162.9167.563.70000111.3I359 N366 Y370 D371 I372I359-T368 HydrophobicContact CB-CG2 4.17Å; I359-T368 HydrophobicContact CD1-CG2 3.11Å; I359-T368 HydrophobicContact CG1-CG2 3.35Å; N366-T368 PolarHBondContact O-N 2.81Å; T368-Y370 PolarHBondContact O-N 3.32Å; T368-Y370 WeakPolarHBondContact OG1-CB 3.45Å; T368-Y370 PolarHBondContact OG1-N 3.15Å; T368-D371 WeakPolarHBondContact CB-OD2 3.37Å; T368-D371 WeakPolarHBondContact CG2-OD2 3.47Å; T368-D371 PolarHBondContact N-OD2 3.32Å; T368-D371 PolarHBondContact O-N 3.25Å; T368-D371 VanDerWaalsContact O-N 3.11Å; T368-D371 PolarHBondContact OG1-N 3.12Å; T368-D371 PolarHBondContact OG1-OD2 3.18Å; T368-I372 VanDerWaalsContact O-CD1 3.28Å; T368-I372 WeakPolarHBondContact O-CD1 3.45Å; T368-I372 VanDerWaalsContact O-CG1 3.28Å; T368-I372 WeakPolarHBondContact O-CG1 3.08Å; T368-I372 PolarHBondContact O-N 3Å
369S67.3Low67.2Low70 Ų7053.8 Ų53.849%0.4928%0.278SS..Hα-helixtrans-55.7-32.6167.5-45.20000112.7R373 S439S369-R373 WeakPolarHBondContact O-CB 3.49Å; S369-R373 PolarHBondContact O-N 2.68Å; S369-R373 VanDerWaalsContact O-N 3.1Å; S369-S439 WeakPolarHBondContact OG-CB 3.3Å; S369-S439 PolarHBondContact OG-OG 3.04Å
370Y69.4Low69.6Low88 Ų8854.1 Ų54.135%0.34528%0.281SS..Hα-helixtrans-67.2-48.1174.5173.7-94.5000111.3A356 T368 I372 R373 F374 V410A356-Y370 HydrophobicContact CB-CD2 3.77Å; A356-Y370 HydrophobicContact CB-CE2 3.76Å; A356-Y370 HydrophobicContact CB-CG 4.27Å; T368-Y370 PolarHBondContact O-N 3.32Å; T368-Y370 WeakPolarHBondContact OG1-CB 3.45Å; T368-Y370 PolarHBondContact OG1-N 3.15Å; Y370-I372 VanDerWaalsContact C-N 3.31Å; Y370-I372 PolarHBondContact O-N 3.26Å; Y370-R373 PolarHBondContact O-N 3.26Å; Y370-F374 VanDerWaalsContact O-CB 3.28Å; Y370-F374 WeakPolarHBondContact O-CB 3.24Å; Y370-F374 PolarHBondContact O-N 3.04Å; Y370-V410 HydrophobicContact CE1-CG2 4.49Å
371D73.8Confident72.3Confident1 Ų149.1 Ų49.11%0.00525%0.253CS..Hα-helixtrans-59.9-43.5178.5-58.4-45.5000110.9L367 T368 F374 L375 Y409 L413L367-D371 HydrophobicContact CB-CB 4.36Å; L367-D371 HydrophobicContact CD2-CB 3.86Å; T368-D371 WeakPolarHBondContact CB-OD2 3.37Å; T368-D371 WeakPolarHBondContact CG2-OD2 3.47Å; T368-D371 PolarHBondContact N-OD2 3.32Å; T368-D371 PolarHBondContact O-N 3.25Å; T368-D371 VanDerWaalsContact O-N 3.11Å; T368-D371 PolarHBondContact OG1-N 3.12Å; T368-D371 PolarHBondContact OG1-OD2 3.18Å; D371-F374 PolarHBondContact O-N 2.96Å; D371-L375 WeakPolarHBondContact O-CB 3.32Å; D371-L375 WeakPolarHBondContact O-CG 3.48Å; D371-L375 PolarHBondContact O-N 3.19Å; D371-Y409 VanDerWaalsContact OD1-CE1 3.26Å; D371-Y409 WeakPolarHBondContact OD1-CE1 3.5Å; D371-Y409 PolarHBondContact OD1-OH 3.02Å; D371-Y409 PolarHBondContact OD2-OH 2.63Å; D371-Y409 VanDerWaalsContact OD2-OH 3.14Å; D371-L413 HydrophobicContact CB-CD2 3.78Å; D371-L413 WeakPolarHBondContact OD1-CD2 3.31Å
372I72.7Confident74.7Confident3 Ų344.1 Ų44.12%0.01522%0.224CC..Hα-helixtrans-61.3-49.9178.4-68.7153.8000111.2L367 T368 Y370 F374 L375 L376 A432 S435 R436L367-I372 HydrophobicContact CB-CD1 4.23Å; L367-I372 HydrophobicContact CB-CG1 3.87Å; L367-I372 HydrophobicContact CD1-CG1 4.41Å; T368-I372 VanDerWaalsContact O-CD1 3.28Å; T368-I372 WeakPolarHBondContact O-CD1 3.45Å; T368-I372 VanDerWaalsContact O-CG1 3.28Å; T368-I372 WeakPolarHBondContact O-CG1 3.08Å; T368-I372 PolarHBondContact O-N 3Å; Y370-I372 VanDerWaalsContact C-N 3.31Å; Y370-I372 PolarHBondContact O-N 3.26Å; I372-F374 VanDerWaalsContact C-N 3.29Å; I372-F374 PolarHBondContact O-N 2.91Å; I372-L375 PolarHBondContact O-N 3.36Å; I372-L376 HydrophobicContact CG2-CD1 4.02Å; I372-L376 WeakPolarHBondContact O-CG 3.22Å; I372-L376 PolarHBondContact O-N 3.36Å; I372-A432 WeakPolarHBondContact CG2-O 3.24Å; I372-S435 WeakPolarHBondContact CD1-OG 3.47Å; I372-R436 HydrophobicContact CG2-CB 3.92Å
373R71.9Confident76.3Confident125 Ų12545.7 Ų45.747%0.47223%0.229SC..Hα-helixtrans-61.1-44.3179-173.9175.1-178.1-179.72.3110.5S369 Y370 L375 L376 D377S369-R373 WeakPolarHBondContact O-CB 3.49Å; S369-R373 PolarHBondContact O-N 2.68Å; S369-R373 VanDerWaalsContact O-N 3.1Å; Y370-R373 PolarHBondContact O-N 3.26Å; R373-L375 PolarHBondContact O-N 3.15Å; R373-L376 PolarHBondContact O-N 2.84Å; R373-D377 VanDerWaalsContact O-CG 3.26Å; R373-D377 PolarHBondContact O-N 3.14Å
374F79.1Confident77.6Confident30 Ų3048 Ų4813%0.13224%0.237CC..Hα-helixtrans-58.7-47.3177.3-174-82.2000112.1P186 Y370 D371 I372 D377 M378 V410 V414P186-F374 VanDerWaalsContact CD-CE2 3.44Å; P186-F374 HydrophobicContact CG-CE1 3.77Å; P186-F374 HydrophobicContact CG-CE2 4.05Å; P186-F374 HydrophobicContact CG-CZ 3.18Å; Y370-F374 VanDerWaalsContact O-CB 3.28Å; Y370-F374 WeakPolarHBondContact O-CB 3.24Å; Y370-F374 PolarHBondContact O-N 3.04Å; D371-F374 PolarHBondContact O-N 2.96Å; I372-F374 VanDerWaalsContact C-N 3.29Å; I372-F374 PolarHBondContact O-N 2.91Å; F374-D377 PolarHBondContact O-N 3.47Å; F374-M378 HydrophobicContact CE1-CB 4.48Å; F374-M378 WeakPolarHBondContact O-CB 3.33Å; F374-M378 PolarHBondContact O-N 3.14Å; F374-V410 HydrophobicContact CD1-CG1 3.73Å; F374-V410 HydrophobicContact CD2-CG1 4.07Å; F374-V410 HydrophobicContact CE1-CG1 3.55Å; F374-V410 HydrophobicContact CE2-CG1 3.87Å; F374-V410 HydrophobicContact CG-CG1 4.05Å; F374-V410 HydrophobicContact CZ-CG1 3.67Å; F374-V414 HydrophobicContact CD1-CG2 4.13Å; F374-V414 HydrophobicContact CE1-CG2 3.49Å; F374-V414 VanDerWaalsContact CE1-CG2 3.49Å; F374-V414 HydrophobicContact CZ-CG2 4.48Å
375L81.5Confident78.8Confident0 Ų049.6 Ų49.60%024%0.241CC..Hα-helixtrans-65.8-38.4179-71.4170.9000112.1L367 D371 I372 R373 M378 E379 L413 W417L367-L375 HydrophobicContact CD1-CD1 4.36Å; L367-L375 HydrophobicContact CD2-CD1 3.9Å; D371-L375 WeakPolarHBondContact O-CB 3.32Å; D371-L375 WeakPolarHBondContact O-CG 3.48Å; D371-L375 PolarHBondContact O-N 3.19Å; I372-L375 PolarHBondContact O-N 3.36Å; R373-L375 PolarHBondContact O-N 3.15Å; L375-M378 HydrophobicContact CD2-CE 4.17Å; L375-M378 PolarHBondContact O-N 2.66Å; L375-E379 WeakPolarHBondContact O-CG 3.25Å; L375-E379 PolarHBondContact O-N 2.91Å; L375-L413 HydrophobicContact CD1-CD1 4.31Å; L375-L413 HydrophobicContact CD2-CG 4.34Å; L375-L413 HydrophobicContact CG-CD2 4.38Å; L375-W417 HydrophobicContact CD1-CD2 3.99Å; L375-W417 HydrophobicContact CD1-CE3 3.51Å; L375-W417 HydrophobicContact CD1-CH2 4.37Å; L375-W417 HydrophobicContact CD1-CZ3 3.73Å; L375-W417 HydrophobicContact CD2-CB 3.85Å; L375-W417 HydrophobicContact CD2-CD2 3.78Å; L375-W417 HydrophobicContact CD2-CE3 4.16Å; L375-W417 HydrophobicContact CD2-CG 3.64Å; L375-W417 HydrophobicContact CG-CD2 4.4Å; L375-W417 HydrophobicContact CG-CE3 4.39Å
376L79.2Confident79.8Confident24 Ų2445.8 Ų45.813%0.12623%0.23CC..Hα-helixtrans-64.4-47.2174.7-72.5171.4000111.9I372 R373 M378 E379 D380 A432 F433 R436I372-L376 HydrophobicContact CG2-CD1 4.02Å; I372-L376 WeakPolarHBondContact O-CG 3.22Å; I372-L376 PolarHBondContact O-N 3.36Å; R373-L376 PolarHBondContact O-N 2.84Å; L376-M378 PolarHBondContact O-N 3.14Å; L376-E379 PolarHBondContact O-N 3.29Å; L376-D380 WeakPolarHBondContact O-CB 3.39Å; L376-D380 PolarHBondContact O-N 3.03Å; L376-A432 HydrophobicContact CD2-CB 3.63Å; L376-A432 HydrophobicContact CG-CB 3.86Å; L376-F433 HydrophobicContact CD2-CD2 4.32Å; L376-R436 HydrophobicContact CD1-CB 4.03Å; L376-R436 VanDerWaalsContact CD1-CD 3.41Å; L376-R436 HydrophobicContact CD1-CG 4.31Å
377D79.8Confident81.1Confident69 Ų6946 Ų4637%0.36923%0.226SC..Hα-helixtrans-60.9-34.6177.1-68.2-18.7000110.8R373 F374 E381R373-D377 VanDerWaalsContact O-CG 3.26Å; R373-D377 PolarHBondContact O-N 3.14Å; F374-D377 PolarHBondContact O-N 3.47Å; D377-E381 WeakPolarHBondContact O-CB 3.39Å; D377-E381 PolarHBondContact O-N 2.89Å
378M84.7Confident82.2Confident2 Ų244.8 Ų44.81%0.0122%0.22CC..Hα-helixtrans-68.1-45.8175.1-175.1-152.857.700112.8R188 F374 L375 L376 E381 Y382 P393 V414R188-M378 PolarHBondContact NH2-O 2.95Å; F374-M378 HydrophobicContact CE1-CB 4.48Å; F374-M378 WeakPolarHBondContact O-CB 3.33Å; F374-M378 PolarHBondContact O-N 3.14Å; L375-M378 HydrophobicContact CD2-CE 4.17Å; L375-M378 PolarHBondContact O-N 2.66Å; L376-M378 PolarHBondContact O-N 3.14Å; M378-E381 PolarHBondContact O-N 2.84Å; M378-Y382 PolarHBondContact O-N 3.47Å; M378-P393 HydrophobicContact SD-CG 4.5Å; M378-V414 HydrophobicContact CE-CG1 4.42Å; M378-V414 HydrophobicContact SD-CB 4.36Å; M378-V414 HydrophobicContact SD-CG1 3.26Å; M378-V414 WeakPolarHBondContact SD-CG1 3.34Å; M378-V414 HydrophobicContact SD-CG2 4.15Å
379E84.7Confident83.4Confident12 Ų1245 Ų456%0.05623%0.225CC..Hα-helixtrans-68.6-35.6178.4-68.6-64.9140.400112L375 L376 Y382 D383 W417 K418 R425L375-E379 WeakPolarHBondContact O-CG 3.25Å; L375-E379 PolarHBondContact O-N 2.91Å; L376-E379 PolarHBondContact O-N 3.29Å; E379-Y382 WeakPolarHBondContact O-CB 3.19Å; E379-Y382 PolarHBondContact O-N 3.47Å; E379-D383 PolarHBondContact O-N 3.3Å; E379-W417 PolarHBondContact OE1-NE1 3.26Å; E379-W417 VanDerWaalsContact OE1-NE1 3.12Å; E379-K418 IonicContact OE1-NZ 2.62Å; E379-K418 PolarHBondContact OE1-NZ 2.94Å; E379-R425 IonicContact OE2-CZ 3.7Å; E379-R425 IonicContact OE2-NE 2.75Å; E379-R425 PolarHBondContact OE2-NE 3.36Å; E379-R425 IonicContact OE2-NH2 2.85Å; E379-R425 PolarHBondContact OE2-NH2 2.91Å
380D84.6Confident84.6Confident75 Ų7543.5 Ų43.540%0.40121%0.213SC..Hα-helixtrans-63.1-47.4172.3176.172.4000111.9L376 Y382 D383 R384L376-D380 WeakPolarHBondContact O-CB 3.39Å; L376-D380 PolarHBondContact O-N 3.03Å; D380-Y382 VanDerWaalsContact C-N 3.26Å; D380-Y382 PolarHBondContact O-N 2.89Å; D380-D383 PolarHBondContact O-N 3.4Å; D380-D383 VanDerWaalsContact O-N 3.09Å; D380-R384 PolarHBondContact O-N 3.36Å; D380-R384 IonicContact OD1-NE 3.32Å; D380-R384 IonicContact OD2-CZ 2.65Å; D380-R384 VanDerWaalsContact OD2-CZ 3.23Å; D380-R384 IonicContact OD2-NE 3.14Å; D380-R384 PolarHBondContact OD2-NE 2.91Å; D380-R384 IonicContact OD2-NH2 3.16Å; D380-R384 PolarHBondContact OD2-NH2 3.31Å
381E89.4Confident85.7Confident17 Ų1739.7 Ų39.78%0.07920%0.198CC..Hα-helixtrans-61.4-36.5174.7174.9-175.8129.900111.7S182 R188 Y190 I342 D377 M378 D383 R384 R385S182-E381 WeakPolarHBondContact CB-OE1 3.09Å; S182-E381 PolarHBondContact OG-OE1 2.82Å; R188-E381 IonicContact CZ-OE1 3.94Å; R188-E381 IonicContact CZ-OE2 2.69Å; R188-E381 IonicContact NE-OE1 3.88Å; R188-E381 PolarHBondContact NE-OE1 3.44Å; R188-E381 IonicContact NE-OE2 2.65Å; R188-E381 VanDerWaalsContact NH1-CD 3.32Å; R188-E381 IonicContact NH1-OE1 3.9Å; R188-E381 IonicContact NH1-OE2 3.73Å; R188-E381 PolarHBondContact NH1-OE2 3.09Å; R188-E381 VanDerWaalsContact NH2-CB 3.3Å; R188-E381 VanDerWaalsContact NH2-CG 3.3Å; R188-E381 IonicContact NH2-OE1 3.8Å; R188-E381 PolarHBondContact NH2-OE1 3.22Å; R188-E381 IonicContact NH2-OE2 2.84Å; R188-E381 PolarHBondContact NH2-OE2 3.42Å; Y190-E381 WeakPolarHBondContact CE2-OE1 3.38Å; Y190-E381 PolarHBondContact OH-OE1 2.77Å; I342-E381 HydrophobicContact CD1-CG 4.3Å; I342-E381 HydrophobicContact CG1-CG 3.5Å; I342-E381 VanDerWaalsContact CG1-CG 3.5Å; D377-E381 WeakPolarHBondContact O-CB 3.39Å; D377-E381 PolarHBondContact O-N 2.89Å; M378-E381 PolarHBondContact O-N 2.84Å; E381-D383 VanDerWaalsContact C-N 3.34Å; E381-R384 PolarHBondContact O-N 3.46Å; E381-R385 PolarHBondContact O-N 3.29Å
382Y86.9Confident86.6Confident45 Ų4540 Ų4018%0.17620%0.2CC..Hα-helixtrans-62.4-41.6173.2-177.3-83.5000111.8M378 E379 D380 R384 R385 P390 R425M378-Y382 PolarHBondContact O-N 3.47Å; E379-Y382 WeakPolarHBondContact O-CB 3.19Å; E379-Y382 PolarHBondContact O-N 3.47Å; D380-Y382 VanDerWaalsContact C-N 3.26Å; D380-Y382 PolarHBondContact O-N 2.89Å; Y382-R384 PolarHBondContact O-N 3.35Å; Y382-R385 VanDerWaalsContact CD1-NH1 3.26Å; Y382-R385 WeakPolarHBondContact O-CB 3.15Å; Y382-R385 WeakPolarHBondContact O-CD 3.35Å; Y382-R385 WeakPolarHBondContact O-CG 3.14Å; Y382-R385 PolarHBondContact O-N 3.45Å; Y382-R385 PolarHBondContact O-NH1 2.93Å; Y382-P390 HydrophobicContact CE2-CB 4.46Å; Y382-P390 HydrophobicContact CE2-CG 3.9Å; Y382-R425 VanDerWaalsContact CD1-NH1 3.3Å; Y382-R425 VanDerWaalsContact CE1-CZ 3.42Å
383D87.4Confident87.3Confident75 Ų7540.3 Ų40.340%0.40120%0.203SC..Hα-helixtrans-68.3-25.3179.2-70.4-16.1000111.7E379 D380 E381 R425 K429E379-D383 PolarHBondContact O-N 3.3Å; D380-D383 PolarHBondContact O-N 3.4Å; D380-D383 VanDerWaalsContact O-N 3.09Å; E381-D383 VanDerWaalsContact C-N 3.34Å; D383-R425 IonicContact OD1-CZ 3.28Å; D383-R425 VanDerWaalsContact OD1-CZ 3.28Å; D383-R425 IonicContact OD1-NH1 2.86Å; D383-R425 PolarHBondContact OD1-NH1 2.85Å; D383-R425 IonicContact OD1-NH2 2.88Å; D383-R425 PolarHBondContact OD1-NH2 3.07Å; D383-R425 IonicContact OD2-NH2 3.35Å; D383-K429 IonicContact OD2-NZ 3.24Å; D383-K429 PolarHBondContact OD2-NZ 3.26Å
384R90.5Very high88Confident67 Ų6735.8 Ų35.825%0.25319%0.189SC..THydrogen-bonded Turntrans-85.92.1175.3-68.9-173.3-77109.1-2.3115.9N341 I342 G344 D380 E381 Y382 G386N341-R384 WeakPolarHBondContact CB-O 3.35Å; N341-R384 PolarHBondContact O-NH1 3.47Å; I342-R384 PolarHBondContact O-NH1 3.26Å; G344-R384 VanDerWaalsContact N-NH1 3.14Å; D380-R384 PolarHBondContact O-N 3.36Å; D380-R384 IonicContact OD1-NE 3.32Å; D380-R384 IonicContact OD2-CZ 2.65Å; D380-R384 VanDerWaalsContact OD2-CZ 3.23Å; D380-R384 IonicContact OD2-NE 3.14Å; D380-R384 PolarHBondContact OD2-NE 2.91Å; D380-R384 IonicContact OD2-NH2 3.16Å; D380-R384 PolarHBondContact OD2-NH2 3.31Å; E381-R384 PolarHBondContact O-N 3.46Å; Y382-R384 PolarHBondContact O-N 3.35Å; R384-G386 VanDerWaalsContact C-N 3.32Å; R384-G386 PolarHBondContact O-N 3.32Å
385R91.4Very high87.9Confident67 Ų6738 Ų3825%0.25320%0.198SC..  trans-68.4-20.6-167.476.2-166.9-180-74.4-3.7115.9Y190 I342 E381 Y382 K387 F388Y190-R385 HydrophobicContact CE1-CB 4.4Å; I342-R385 HydrophobicContact CD1-CB 3.93Å; E381-R385 PolarHBondContact O-N 3.29Å; Y382-R385 VanDerWaalsContact CD1-NH1 3.26Å; Y382-R385 WeakPolarHBondContact O-CB 3.15Å; Y382-R385 WeakPolarHBondContact O-CD 3.35Å; Y382-R385 WeakPolarHBondContact O-CG 3.14Å; Y382-R385 PolarHBondContact O-N 3.45Å; Y382-R385 PolarHBondContact O-NH1 2.93Å; R385-K387 PolarHBondContact O-N 3.3Å; R385-F388 HydrophobicContact CB-CB 4.23Å; R385-F388 WeakPolarHBondContact CD-O 3.38Å; R385-F388 WeakPolarHBondContact CG-O 3.5Å; R385-F388 WeakPolarHBondContact O-CB 3.28Å; R385-F388 WeakPolarHBondContact O-CD2 3.32Å; R385-F388 PolarHBondContact O-N 3.43Å
386G91.8Very high87.9Confident41 Ų4144.9 Ų44.942%0.42323%0.229SC..THydrogen-bonded Turntrans57.2-129.7-171.400000111.9R384 F388R384-G386 VanDerWaalsContact C-N 3.32Å; R384-G386 PolarHBondContact O-N 3.32Å; G386-F388 PolarHBondContact O-N 3.2Å
387K94.4Very high88.1Confident102 Ų10244 Ų4444%0.44322%0.224SC..THydrogen-bonded Turntrans-83.815.9179.4-62.7-179.4-179.9-175.20114.3Y192 E193 D338 R385Y192-K387 HydrophobicContact CD2-CB 4.3Å; Y192-K387 HydrophobicContact CE2-CB 3.62Å; E193-K387 VanDerWaalsContact CG-O 3.26Å; E193-K387 WeakPolarHBondContact CG-O 3.42Å; E193-K387 PolarHBondContact N-O 3.35Å; D338-K387 PolarHBondContact OD2-N 2.98Å; R385-K387 PolarHBondContact O-N 3.3Å
388F95.8Very high88.1Confident1 Ų146.1 Ų46.10%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-84.5120.6171-83.2-76.9000110.9L180 Y190 Y192 L297 L335 D338 V339 R385 G386L180-F388 HydrophobicContact CB-CD1 4.24Å; L180-F388 HydrophobicContact CB-CE1 3.7Å; L180-F388 HydrophobicContact CB-CZ 4.03Å; L180-F388 HydrophobicContact CD2-CZ 4.5Å; Y190-F388 HydrophobicContact CD1-CB 4.2Å; Y190-F388 HydrophobicContact CG-CB 4.28Å; Y192-F388 AromaticContact CD2-CD1 3.89Å; Y192-F388 HydrophobicContact CD2-CD1 3.89Å; Y192-F388 AromaticContact CD2-CD2 3.72Å; Y192-F388 HydrophobicContact CD2-CD2 3.72Å; Y192-F388 AromaticContact CD2-CE1 3.75Å; Y192-F388 HydrophobicContact CD2-CE1 3.75Å; Y192-F388 AromaticContact CD2-CE2 3.57Å; Y192-F388 HydrophobicContact CD2-CE2 3.57Å; Y192-F388 AromaticContact CD2-CG 3.88Å; Y192-F388 HydrophobicContact CD2-CG 3.88Å; Y192-F388 AromaticContact CD2-CZ 3.59Å; Y192-F388 HydrophobicContact CD2-CZ 3.59Å; Y192-F388 HydrophobicContact CE2-CD2 4.11Å; Y192-F388 AromaticContact CE2-CE2 3.96Å; Y192-F388 HydrophobicContact CE2-CE2 3.96Å; Y192-F388 HydrophobicContact CE2-CZ 4.36Å; Y192-F388 HydrophobicContact CG-CD1 4.49Å; Y192-F388 HydrophobicContact CG-CE1 4.17Å; Y192-F388 HydrophobicContact CG-CZ 4.22Å; L297-F388 HydrophobicContact CD1-CZ 4.32Å; L335-F388 HydrophobicContact CD1-CE1 4.25Å; L335-F388 HydrophobicContact CD1-CE2 4.17Å; L335-F388 HydrophobicContact CD1-CZ 3.5Å; D338-F388 HydrophobicContact CB-CD2 3.78Å; D338-F388 HydrophobicContact CB-CE2 3.79Å; V339-F388 HydrophobicContact CG2-CE2 3.66Å; V339-F388 HydrophobicContact CG2-CZ 3.52Å; R385-F388 HydrophobicContact CB-CB 4.23Å; R385-F388 WeakPolarHBondContact CD-O 3.38Å; R385-F388 WeakPolarHBondContact CG-O 3.5Å; R385-F388 WeakPolarHBondContact O-CB 3.28Å; R385-F388 WeakPolarHBondContact O-CD2 3.32Å; R385-F388 PolarHBondContact O-N 3.43Å; G386-F388 PolarHBondContact O-N 3.2Å
389A94.3Very high88.2Confident32 Ų3251.3 Ų51.326%0.26425%0.252SS..EExtended strand (participates in β ladder)trans-86.2131.1169.600000110.1Y190 I191Y190-A389 CarbonylContact C-O 3.51Å; Y190-A389 WeakPolarHBondContact CA-O 3.09Å; I191-A389 HydrophobicContact CG2-CB 4.18Å; I191-A389 PolarHBondContact N-O 2.94Å; I191-A389 PolarHBondContact O-N 3.32Å
390P93.2Very high88.5Confident38 Ų3851.8 Ų51.825%0.24725%0.253CS..EExtended strand (participates in β ladder)trans-65.2137.2174.333.8-41.6000110.5Y190 Y382 T394Y190-P390 HydrophobicContact CD1-CB 4.08Å; Y190-P390 HydrophobicContact CE1-CB 4.06Å; Y382-P390 HydrophobicContact CE2-CB 4.46Å; Y382-P390 HydrophobicContact CE2-CG 3.9Å; P390-T394 HydrophobicContact CB-CG2 4.16Å; P390-T394 HydrophobicContact CG-CG2 4.29Å; P390-T394 WeakPolarHBondContact O-CG2 3.46Å
391I93.5Very high88.7Confident7 Ų749.4 Ų49.44%0.03624%0.241CC..EExtended strand (participates in β ladder)trans-113.5-33.2173.860.5170000111.9V179 A189 I191 L266 V269 I270 L273 T394V179-I391 HydrophobicContact CG1-CD1 4.17Å; A189-I391 HydrophobicContact CB-CD1 4.04Å; A189-I391 HydrophobicContact CB-CG1 3.89Å; A189-I391 VanDerWaalsContact O-CG1 3.23Å; A189-I391 WeakPolarHBondContact O-CG1 3.43Å; A189-I391 PolarHBondContact O-N 2.98Å; I191-I391 HydrophobicContact CB-CG2 3.74Å; I191-I391 HydrophobicContact CG2-CG2 3.44Å; I191-I391 VanDerWaalsContact CG2-CG2 3.44Å; L266-I391 HydrophobicContact CD2-CG2 3.6Å; V269-I391 HydrophobicContact CB-CD1 4.33Å; V269-I391 HydrophobicContact CG1-CD1 3.47Å; V269-I391 VanDerWaalsContact CG1-CD1 3.47Å; I270-I391 HydrophobicContact CD1-CB 4.21Å; I270-I391 VanDerWaalsContact CD1-O 3.31Å; I270-I391 WeakPolarHBondContact CD1-O 3.42Å; I270-I391 HydrophobicContact CG1-CB 4.12Å; I270-I391 HydrophobicContact CG1-CD1 4.15Å; I270-I391 HydrophobicContact CG1-CG1 4.28Å; L273-I391 HydrophobicContact CD1-CD1 4.24Å; I391-T394 WeakPolarHBondContact O-CG2 3.33Å
392I91.1Very high88.7Confident7 Ų753 Ų534%0.03626%0.256CS..EExtended strand (participates in β ladder)trans-152.6128.2168.6-171.9163.3000107.2L187 R188 A189 I270 I274 F404L187-I392 HydrophobicContact CD2-CD1 4.31Å; L187-I392 HydrophobicContact CD2-CG2 4.1Å; L187-I392 HydrophobicContact CG-CG2 3.91Å; R188-I392 CarbonylContact C-O 3.51Å; R188-I392 WeakPolarHBondContact CA-O 3.26Å; A189-I392 HydrophobicContact CB-CG2 3.92Å; A189-I392 PolarHBondContact N-O 2.83Å; A189-I392 PolarHBondContact O-N 3.48Å; A189-I392 VanDerWaalsContact O-O 3.12Å; I270-I392 HydrophobicContact CG2-CD1 4.04Å; I274-I392 HydrophobicContact CD1-CD1 4.42Å; I392-F404 HydrophobicContact CD1-CE2 4.31Å; I392-F404 HydrophobicContact CD1-CZ 4.09Å
393P88.3Confident89Confident11 Ų1150.9 Ų50.97%0.07125%0.248CC..SBendcis-83.7148.9-1.229.2-24.4000113.4M378 S397 V414 K418M378-P393 HydrophobicContact SD-CG 4.5Å; P393-S397 VanDerWaalsContact CA-OG 3.24Å; P393-S397 WeakPolarHBondContact CA-OG 3.4Å; P393-V414 HydrophobicContact CB-CG1 3.6Å; P393-V414 HydrophobicContact CG-CB 4.27Å; P393-V414 HydrophobicContact CG-CG1 3.16Å; P393-K418 HydrophobicContact CB-CG 4.27Å
394T86Confident89.1Confident29 Ų2947.7 Ų47.718%0.17823%0.23CC..SBendtrans-147173.7-178.859.80000108.5P390 I391 F396 S397P390-T394 HydrophobicContact CB-CG2 4.16Å; P390-T394 HydrophobicContact CG-CG2 4.29Å; P390-T394 WeakPolarHBondContact O-CG2 3.46Å; I391-T394 WeakPolarHBondContact O-CG2 3.33Å; T394-F396 PolarHBondContact O-N 2.79Å; T394-F396 VanDerWaalsContact O-N 3.16Å; T394-S397 PolarHBondContact N-OG 2.82Å; T394-S397 VanDerWaalsContact O-CB 3.25Å; T394-S397 WeakPolarHBondContact O-CB 3.39Å; T394-S397 PolarHBondContact O-N 2.81Å; T394-S397 PolarHBondContact O-OG 3.09Å; T394-S397 VanDerWaalsContact O-OG 3.09Å; T394-S397 PolarHBondContact OG1-OG 2.97Å
395F78.4Confident88.9Confident77 Ų7752.9 Ų52.934%0.33825%0.25SC..THydrogen-bonded Turntrans-51.6-36.3174.1-178.8-99.3000112.8S397 E419 S422F395-S397 VanDerWaalsContact C-N 3.32Å; F395-S397 PolarHBondContact O-N 3.04Å; F395-E419 HydrophobicContact CE2-CG 4.22Å; F395-E419 WeakPolarHBondContact CE2-O 3.42Å; F395-S422 WeakPolarHBondContact CD2-OG 3.46Å
396F81.4Confident88.5Confident145 Ų14556.5 Ų56.564%0.63627%0.268SS*.THydrogen-bonded Turntrans-85.53.3-178.7-57.2-69.7000114.5T394 Q398 Y399T394-F396 PolarHBondContact O-N 2.79Å; T394-F396 VanDerWaalsContact O-N 3.16Å; F396-Q398 PolarHBondContact O-N 3.35Å; F396-Q398 VanDerWaalsContact O-N 3.15Å; F396-Y399 VanDerWaalsContact O-CB 3.31Å; F396-Y399 WeakPolarHBondContact O-CB 3.41Å; F396-Y399 PolarHBondContact O-N 3.3Å; F396-Y399 VanDerWaalsContact O-N 3.11Å
397S82.6Confident87.9Confident4 Ų457 Ų573%0.02826%0.262CS..Hα-helixtrans-63.9-24.8-172.8-70.60000114.3P393 T394 F395 Y399 Y400 L401P393-S397 VanDerWaalsContact CA-OG 3.24Å; P393-S397 WeakPolarHBondContact CA-OG 3.4Å; T394-S397 PolarHBondContact N-OG 2.82Å; T394-S397 VanDerWaalsContact O-CB 3.25Å; T394-S397 WeakPolarHBondContact O-CB 3.39Å; T394-S397 PolarHBondContact O-N 2.81Å; T394-S397 PolarHBondContact O-OG 3.09Å; T394-S397 VanDerWaalsContact O-OG 3.09Å; T394-S397 PolarHBondContact OG1-OG 2.97Å; F395-S397 VanDerWaalsContact C-N 3.32Å; F395-S397 PolarHBondContact O-N 3.04Å; S397-Y399 PolarHBondContact O-N 3.28Å; S397-Y400 PolarHBondContact O-N 3.38Å; S397-L401 PolarHBondContact O-N 2.79Å
398Q79.2Confident87.1Confident114 Ų11454 Ų5453%0.53325%0.25SC..Hα-helixtrans-57.1-35.7175.4-160.5-176.63100112.3F396 Y400 L401F396-Q398 PolarHBondContact O-N 3.35Å; F396-Q398 VanDerWaalsContact O-N 3.15Å; Q398-Y400 PolarHBondContact O-N 3.06Å; Q398-L401 HydrophobicContact CB-CD1 4.45Å; Q398-L401 HydrophobicContact CG-CD1 4.03Å; Q398-L401 WeakPolarHBondContact O-CB 3.35Å; Q398-L401 PolarHBondContact O-N 3.37Å
399Y87Confident86.3Confident111 Ų11156.9 Ų56.944%0.43526%0.261SS..Hα-helixtrans-57.4-35.7176.5173.8-98.2000112.8F396 S397 K402 Y403F396-Y399 VanDerWaalsContact O-CB 3.31Å; F396-Y399 WeakPolarHBondContact O-CB 3.41Å; F396-Y399 PolarHBondContact O-N 3.3Å; F396-Y399 VanDerWaalsContact O-N 3.11Å; S397-Y399 PolarHBondContact O-N 3.28Å; Y399-K402 WeakPolarHBondContact O-CE 3.26Å; Y399-Y403 HydrophobicContact CD1-CE2 4.44Å; Y399-Y403 HydrophobicContact CE1-CE2 4.02Å; Y399-Y403 PolarHBondContact OH-OH 3.2Å
400Y91.3Very high85.6Confident22 Ų2255.9 Ų55.99%0.08625%0.252CS..Hα-helixtrans-85.9-15.2-175.2-64.7-80.4000113.9D267 I270 K271 I274 S397 Q398 K402 Y403 F404D267-Y400 WeakPolarHBondContact OD1-CE1 3.42Å; D267-Y400 PolarHBondContact OD1-OH 2.89Å; I270-Y400 HydrophobicContact CB-CD1 4.34Å; I270-Y400 HydrophobicContact CB-CE1 4.02Å; I270-Y400 HydrophobicContact CD1-CD2 4.49Å; I270-Y400 HydrophobicContact CD1-CE1 4.31Å; I270-Y400 HydrophobicContact CD1-CE2 3.76Å; I270-Y400 HydrophobicContact CG2-CD1 3.52Å; I270-Y400 HydrophobicContact CG2-CD2 4.09Å; I270-Y400 HydrophobicContact CG2-CE1 3.69Å; I270-Y400 HydrophobicContact CG2-CE2 4.25Å; I270-Y400 HydrophobicContact CG2-CG 3.72Å; K271-Y400 HydrophobicContact CG-CD1 4.42Å; K271-Y400 HydrophobicContact CG-CE1 4.32Å; I274-Y400 HydrophobicContact CD1-CD1 4.28Å; I274-Y400 HydrophobicContact CD1-CG 4.37Å; S397-Y400 PolarHBondContact O-N 3.38Å; Q398-Y400 PolarHBondContact O-N 3.06Å; Y400-K402 PolarHBondContact O-N 3.3Å; Y400-K402 VanDerWaalsContact O-N 3.13Å; Y400-Y403 HydrophobicContact CD1-CD2 4Å; Y400-Y403 HydrophobicContact CD1-CE2 4.01Å; Y400-Y403 WeakPolarHBondContact O-CD2 3.41Å; Y400-Y403 PolarHBondContact O-N 3.14Å; Y400-F404 WeakPolarHBondContact O-CD2 3.41Å
401L88Confident84.9Confident25 Ų2554.7 Ų54.713%0.13124%0.243CC..G310 helixtrans-55.8-35.2-176.1-66.7176.9000112.5S397 Q398 Y403 F404 V407 L412 A415S397-L401 PolarHBondContact O-N 2.79Å; Q398-L401 HydrophobicContact CB-CD1 4.45Å; Q398-L401 HydrophobicContact CG-CD1 4.03Å; Q398-L401 WeakPolarHBondContact O-CB 3.35Å; Q398-L401 PolarHBondContact O-N 3.37Å; L401-Y403 PolarHBondContact O-N 3.18Å; L401-F404 PolarHBondContact O-N 2.73Å; L401-V407 HydrophobicContact CB-CG2 4.46Å; L401-V407 HydrophobicContact CD2-CG1 3.89Å; L401-V407 WeakPolarHBondContact O-CG2 3.46Å; L401-L412 HydrophobicContact CD1-CD2 3.83Å; L401-A415 HydrophobicContact CD1-CB 4.4Å
402K90.3Very high84.2Confident92 Ų9257.5 Ų57.540%0.426%0.258SS..G310 helixtrans-58.5-29.9177.869.8-170.8179.1-178.10113.3W93 Y399 Y400W93-K402 HydrophobicContact CH2-CB 4.03Å; W93-K402 HydrophobicContact CH2-CD 4.39Å; W93-K402 HydrophobicContact CH2-CG 3.98Å; W93-K402 WeakPolarHBondContact CZ2-O 3.28Å; W93-K402 HydrophobicContact CZ3-CD 4.42Å; W93-K402 HydrophobicContact CZ3-CG 4.43Å; Y399-K402 WeakPolarHBondContact O-CE 3.26Å; Y400-K402 PolarHBondContact O-N 3.3Å; Y400-K402 VanDerWaalsContact O-N 3.13Å
403Y93Very high83.7Confident1 Ų157.1 Ų57.10%0.00426%0.256CS..G310 helixtrans-79.9-16.6-177.5-56.4-62.5000113.4M89 W93 E97 F98 Y399 Y400 L401M89-Y403 VanDerWaalsContact CE-O 3.27Å; M89-Y403 WeakPolarHBondContact CE-O 3.21Å; W93-Y403 AromaticContact CD2-CD1 3.73Å; W93-Y403 HydrophobicContact CD2-CD1 3.73Å; W93-Y403 AromaticContact CD2-CE1 3.93Å; W93-Y403 HydrophobicContact CD2-CE1 3.93Å; W93-Y403 AromaticContact CE2-CD1 3.62Å; W93-Y403 HydrophobicContact CE3-CD1 4.12Å; W93-Y403 AromaticContact CE3-CE1 3.93Å; W93-Y403 HydrophobicContact CE3-CE1 3.93Å; W93-Y403 HydrophobicContact CG-CD1 4.17Å; W93-Y403 HydrophobicContact CG-CE1 4.4Å; W93-Y403 HydrophobicContact CH2-CD1 4.34Å; W93-Y403 AromaticContact CZ2-CD1 3.98Å; W93-Y403 HydrophobicContact CZ2-CD1 3.98Å; W93-Y403 HydrophobicContact CZ3-CD1 4.39Å; W93-Y403 HydrophobicContact CZ3-CE1 4.27Å; W93-Y403 AromaticContact NE1-CD1 3.88Å; E97-Y403 HydrophobicContact CB-CE1 4.43Å; E97-Y403 HydrophobicContact CG-CE1 4.38Å; E97-Y403 PolarHBondContact OE1-OH 3Å; E97-Y403 PolarHBondContact OE2-OH 3.08Å; F98-Y403 AromaticContact CE2-CD1 3.61Å; F98-Y403 HydrophobicContact CE2-CD1 3.61Å; F98-Y403 AromaticContact CE2-CE1 3.95Å; F98-Y403 HydrophobicContact CE2-CE1 3.95Å; F98-Y403 HydrophobicContact CE2-CG 4.29Å; F98-Y403 AromaticContact CZ-CD1 3.96Å; F98-Y403 HydrophobicContact CZ-CD1 3.96Å; F98-Y403 HydrophobicContact CZ-CG 4.17Å; Y399-Y403 HydrophobicContact CD1-CE2 4.44Å; Y399-Y403 HydrophobicContact CE1-CE2 4.02Å; Y399-Y403 PolarHBondContact OH-OH 3.2Å; Y400-Y403 HydrophobicContact CD1-CD2 4Å; Y400-Y403 HydrophobicContact CD1-CE2 4.01Å; Y400-Y403 WeakPolarHBondContact O-CD2 3.41Å; Y400-Y403 PolarHBondContact O-N 3.14Å; L401-Y403 PolarHBondContact O-N 3.18Å
404F90Very high83.3Confident8 Ų856.7 Ų56.74%0.03525%0.253CS..SBendtrans-66.3142.6177.2-73.1-101.7000110.6L187 I274 E277 I392 Y400 L401 K406 V407L187-F404 HydrophobicContact CB-CE1 4.28Å; L187-F404 HydrophobicContact CB-CZ 4.33Å; L187-F404 HydrophobicContact CD2-CE1 4.25Å; L187-F404 HydrophobicContact CD2-CZ 4.04Å; I274-F404 HydrophobicContact CD1-CD2 4.2Å; I274-F404 HydrophobicContact CD1-CE2 3.6Å; I274-F404 HydrophobicContact CD1-CZ 4.02Å; I274-F404 HydrophobicContact CG1-CD2 4.4Å; I274-F404 HydrophobicContact CG1-CE1 4.27Å; I274-F404 HydrophobicContact CG1-CE2 3.81Å; I274-F404 HydrophobicContact CG1-CZ 3.74Å; I274-F404 HydrophobicContact CG2-CD1 4.43Å; I274-F404 HydrophobicContact CG2-CD2 4.2Å; I274-F404 HydrophobicContact CG2-CE2 4.43Å; I274-F404 HydrophobicContact CG2-CG 4.22Å; E277-F404 HydrophobicContact CG-CD1 4.24Å; E277-F404 HydrophobicContact CG-CE1 3.96Å; I392-F404 HydrophobicContact CD1-CE2 4.31Å; I392-F404 HydrophobicContact CD1-CZ 4.09Å; Y400-F404 WeakPolarHBondContact O-CD2 3.41Å; L401-F404 PolarHBondContact O-N 2.73Å; F404-K406 VanDerWaalsContact C-N 3.31Å; F404-K406 PolarHBondContact O-N 3.13Å; F404-V407 HydrophobicContact CB-CG2 4.19Å
405R86.1Confident82.9Confident176 Ų17655.6 Ų55.666%0.66425%0.247SC*.SBendtrans-64.3-41.9176.8-172.6176.4-179174.3-0.5111.3
406K83.8Confident82.8Confident144 Ų14453.2 Ų53.263%0.62624%0.241SC*.SBendtrans-140125.9171.1178.9-175176.9-171.70106.2F404 E408F404-K406 VanDerWaalsContact C-N 3.31Å; F404-K406 PolarHBondContact O-N 3.13Å; K406-E408 PolarHBondContact O-N 3.35Å
407V77.2Confident82.9Confident52 Ų5246.4 Ų46.432%0.31521%0.212SC..  trans-77.8115.7176.2-170.10000108.1L401 F404 N411 L412L401-V407 HydrophobicContact CB-CG2 4.46Å; L401-V407 HydrophobicContact CD2-CG1 3.89Å; L401-V407 WeakPolarHBondContact O-CG2 3.46Å; F404-V407 HydrophobicContact CB-CG2 4.19Å; V407-N411 HydrophobicContact CG1-CB 4.39Å; V407-L412 HydrophobicContact CG1-CD1 4.38Å; V407-L412 HydrophobicContact CG1-CD2 3.7Å; V407-L412 HydrophobicContact CG1-CG 3.72Å
408E79.1Confident82.8Confident37 Ų3747.1 Ų47.117%0.17321%0.214CC..  trans-72.3143174.7-65.4-67.4141.700110.7K185 K406 V410 N411 L412K185-E408 WeakPolarHBondContact CE-OE2 3.33Å; K185-E408 IonicContact NZ-OE1 3.78Å; K185-E408 IonicContact NZ-OE2 3.96Å; K185-E408 PolarHBondContact NZ-OE2 2.86Å; K406-E408 PolarHBondContact O-N 3.35Å; E408-V410 VanDerWaalsContact C-N 3.26Å; E408-V410 PolarHBondContact O-N 2.85Å; E408-N411 WeakPolarHBondContact O-CA 3.34Å; E408-N411 WeakPolarHBondContact O-CB 3.44Å; E408-N411 PolarHBondContact O-N 2.86Å; E408-L412 PolarHBondContact O-N 2.84Å
409Y79.5Confident82.7Confident62 Ų6246 Ų4624%0.24321%0.209CC..Hα-helixtrans-50.2-45.9179.3164-94.3000112.5I363 D371 N411 L412 L413I363-Y409 HydrophobicContact CD1-CD2 3.65Å; I363-Y409 HydrophobicContact CD1-CE2 3.14Å; I363-Y409 HydrophobicContact CG1-CD2 4.45Å; I363-Y409 HydrophobicContact CG1-CE2 3.48Å; I363-Y409 VanDerWaalsContact CG1-CE2 3.48Å; I363-Y409 WeakPolarHBondContact CG1-OH 3.28Å; D371-Y409 VanDerWaalsContact OD1-CE1 3.26Å; D371-Y409 WeakPolarHBondContact OD1-CE1 3.5Å; D371-Y409 PolarHBondContact OD1-OH 3.02Å; D371-Y409 PolarHBondContact OD2-OH 2.63Å; D371-Y409 VanDerWaalsContact OD2-OH 3.14Å; Y409-N411 PolarHBondContact O-N 2.92Å; Y409-L412 WeakPolarHBondContact O-CA 3.21Å; Y409-L412 WeakPolarHBondContact O-CB 3.39Å; Y409-L412 PolarHBondContact O-N 2.91Å; Y409-L413 HydrophobicContact CE1-CD2 4.41Å; Y409-L413 PolarHBondContact O-N 3.14Å
410V78.1Confident82.3Confident12 Ų1248.2 Ų48.27%0.07322%0.217CC..Hα-helixtrans-66.9-27.4-177.4-164.30000111.4P186 Y370 F374 E408 V414P186-V410 HydrophobicContact CB-CB 4.21Å; P186-V410 HydrophobicContact CB-CG1 4.07Å; P186-V410 HydrophobicContact CG-CB 4.36Å; P186-V410 HydrophobicContact CG-CG1 3.72Å; Y370-V410 HydrophobicContact CE1-CG2 4.49Å; F374-V410 HydrophobicContact CD1-CG1 3.73Å; F374-V410 HydrophobicContact CD2-CG1 4.07Å; F374-V410 HydrophobicContact CE1-CG1 3.55Å; F374-V410 HydrophobicContact CE2-CG1 3.87Å; F374-V410 HydrophobicContact CG-CG1 4.05Å; F374-V410 HydrophobicContact CZ-CG1 3.67Å; E408-V410 VanDerWaalsContact C-N 3.26Å; E408-V410 PolarHBondContact O-N 2.85Å; V410-V414 HydrophobicContact CG1-CG2 4.32Å; V410-V414 WeakPolarHBondContact O-CG2 3.28Å; V410-V414 PolarHBondContact O-N 2.85Å; V410-V414 VanDerWaalsContact O-N 3.1Å
411N78.6Confident81.8Confident12 Ų1248.5 Ų48.56%0.06422%0.218CC..Hα-helixtrans-66.9-38.3171.1-69.2-28.2000111P186 L187 V407 E408 Y409 A415P186-N411 WeakPolarHBondContact CA-OD1 3.43Å; P186-N411 WeakPolarHBondContact CB-OD1 3.46Å; L187-N411 PolarHBondContact N-OD1 2.95Å; V407-N411 HydrophobicContact CG1-CB 4.39Å; E408-N411 WeakPolarHBondContact O-CA 3.34Å; E408-N411 WeakPolarHBondContact O-CB 3.44Å; E408-N411 PolarHBondContact O-N 2.86Å; Y409-N411 PolarHBondContact O-N 2.92Å; N411-A415 VanDerWaalsContact O-CB 3.24Å; N411-A415 WeakPolarHBondContact O-CB 3.5Å; N411-A415 PolarHBondContact O-N 3.28Å
412L79.8Confident81.3Confident66 Ų6649.3 Ų49.335%0.34623%0.226SC..Hα-helixtrans-66.6-47.8175.3-65.8171.4000111.8I363 L401 V407 E408 Y409 V414 A415 A416I363-L412 HydrophobicContact CD1-CB 4.44Å; L401-L412 HydrophobicContact CD1-CD2 3.83Å; V407-L412 HydrophobicContact CG1-CD1 4.38Å; V407-L412 HydrophobicContact CG1-CD2 3.7Å; V407-L412 HydrophobicContact CG1-CG 3.72Å; E408-L412 PolarHBondContact O-N 2.84Å; Y409-L412 WeakPolarHBondContact O-CA 3.21Å; Y409-L412 WeakPolarHBondContact O-CB 3.39Å; Y409-L412 PolarHBondContact O-N 2.91Å; L412-V414 VanDerWaalsContact C-N 3.29Å; L412-V414 PolarHBondContact O-N 3.22Å; L412-A415 PolarHBondContact O-N 3.36Å; L412-A416 WeakPolarHBondContact O-CB 3.42Å; L412-A416 PolarHBondContact O-N 3.01Å
413L81Confident80.5Confident0 Ų052.2 Ų52.20%024%0.242CC..Hα-helixtrans-53.4-49.5177.7172.765.3000110.7I363 L364 L367 D371 L375 Y409 A416 W417I363-L413 HydrophobicContact CD1-CB 3.86Å; I363-L413 HydrophobicContact CD1-CD1 4.42Å; I363-L413 HydrophobicContact CG1-CB 4.39Å; I363-L413 HydrophobicContact CG1-CD1 4.03Å; I363-L413 HydrophobicContact CG2-CD1 4.24Å; L364-L413 HydrophobicContact CD2-CD1 4.08Å; L367-L413 HydrophobicContact CD2-CD1 3.82Å; D371-L413 HydrophobicContact CB-CD2 3.78Å; D371-L413 WeakPolarHBondContact OD1-CD2 3.31Å; L375-L413 HydrophobicContact CD1-CD1 4.31Å; L375-L413 HydrophobicContact CD2-CG 4.34Å; L375-L413 HydrophobicContact CG-CD2 4.38Å; Y409-L413 HydrophobicContact CE1-CD2 4.41Å; Y409-L413 PolarHBondContact O-N 3.14Å; L413-A416 PolarHBondContact O-N 3.15Å; L413-W417 WeakPolarHBondContact O-CB 3.06Å; L413-W417 PolarHBondContact O-N 3.11Å
414V79.9Confident79.9Confident1 Ų156.6 Ų56.61%0.00627%0.266CS..Hα-helixtrans-73.5-36.8-176.3-177.50000112P186 F374 M378 P393 V410 L412 W417 K418P186-V414 HydrophobicContact CG-CG2 4.28Å; F374-V414 HydrophobicContact CD1-CG2 4.13Å; F374-V414 HydrophobicContact CE1-CG2 3.49Å; F374-V414 VanDerWaalsContact CE1-CG2 3.49Å; F374-V414 HydrophobicContact CZ-CG2 4.48Å; M378-V414 HydrophobicContact CE-CG1 4.42Å; M378-V414 HydrophobicContact SD-CB 4.36Å; M378-V414 HydrophobicContact SD-CG1 3.26Å; M378-V414 WeakPolarHBondContact SD-CG1 3.34Å; M378-V414 HydrophobicContact SD-CG2 4.15Å; P393-V414 HydrophobicContact CB-CG1 3.6Å; P393-V414 HydrophobicContact CG-CB 4.27Å; P393-V414 HydrophobicContact CG-CG1 3.16Å; V410-V414 HydrophobicContact CG1-CG2 4.32Å; V410-V414 WeakPolarHBondContact O-CG2 3.28Å; V410-V414 PolarHBondContact O-N 2.85Å; V410-V414 VanDerWaalsContact O-N 3.1Å; L412-V414 VanDerWaalsContact C-N 3.29Å; L412-V414 PolarHBondContact O-N 3.22Å; V414-W417 PolarHBondContact O-N 3.08Å; V414-K418 HydrophobicContact CG1-CG 4.34Å; V414-K418 WeakPolarHBondContact O-CG 3.46Å; V414-K418 PolarHBondContact O-N 3.42Å
415A75.7Confident79.2Confident7 Ų758.7 Ų58.76%0.05827%0.274CS..Hα-helixtrans-59.6-47.8173.300000110.9L401 N411 L412 W417 K418 E419L401-A415 HydrophobicContact CD1-CB 4.4Å; N411-A415 VanDerWaalsContact O-CB 3.24Å; N411-A415 WeakPolarHBondContact O-CB 3.5Å; N411-A415 PolarHBondContact O-N 3.28Å; L412-A415 PolarHBondContact O-N 3.36Å; A415-W417 PolarHBondContact O-N 3.1Å; A415-K418 PolarHBondContact O-N 3.12Å; A415-E419 WeakPolarHBondContact O-CB 3.42Å; A415-E419 PolarHBondContact O-N 3.04Å
416A78.1Confident78.5Confident26 Ų2655.7 Ų55.722%0.21527%0.271CS..Hα-helixtrans-62.9-40.7176.900000112.3I363 L364 L412 L413 E419 R420I363-A416 HydrophobicContact CG2-CB 4.22Å; L364-A416 HydrophobicContact CD1-CB 4.25Å; L364-A416 HydrophobicContact CG-CB 4.4Å; L412-A416 WeakPolarHBondContact O-CB 3.42Å; L412-A416 PolarHBondContact O-N 3.01Å; L413-A416 PolarHBondContact O-N 3.15Å; A416-E419 PolarHBondContact O-N 2.94Å; A416-R420 WeakPolarHBondContact O-CB 3.45Å; A416-R420 PolarHBondContact O-N 2.87Å; A416-R420 VanDerWaalsContact O-N 3.08Å
417W82.2Confident77.8Confident3 Ų351.1 Ų51.11%0.01126%0.259CS..Hα-helixtrans-60.5-47174.9-178.3-92.7000111.9L364 L367 L375 E379 L413 V414 A415 R420 Y421 G428 A432L364-W417 HydrophobicContact CD2-CE3 3.95Å; L367-W417 HydrophobicContact CD1-CZ3 4.47Å; L375-W417 HydrophobicContact CD1-CD2 3.99Å; L375-W417 HydrophobicContact CD1-CE3 3.51Å; L375-W417 HydrophobicContact CD1-CH2 4.37Å; L375-W417 HydrophobicContact CD1-CZ3 3.73Å; L375-W417 HydrophobicContact CD2-CB 3.85Å; L375-W417 HydrophobicContact CD2-CD2 3.78Å; L375-W417 HydrophobicContact CD2-CE3 4.16Å; L375-W417 HydrophobicContact CD2-CG 3.64Å; L375-W417 HydrophobicContact CG-CD2 4.4Å; L375-W417 HydrophobicContact CG-CE3 4.39Å; E379-W417 PolarHBondContact OE1-NE1 3.26Å; E379-W417 VanDerWaalsContact OE1-NE1 3.12Å; L413-W417 WeakPolarHBondContact O-CB 3.06Å; L413-W417 PolarHBondContact O-N 3.11Å; V414-W417 PolarHBondContact O-N 3.08Å; A415-W417 PolarHBondContact O-N 3.1Å; W417-R420 PolarHBondContact O-N 2.65Å; W417-Y421 AromaticContact CD2-CD2 3.65Å; W417-Y421 HydrophobicContact CD2-CD2 3.65Å; W417-Y421 HydrophobicContact CD2-CE2 4.13Å; W417-Y421 AromaticContact CE2-CD2 3.88Å; W417-Y421 AromaticContact CE3-CD2 3.67Å; W417-Y421 HydrophobicContact CE3-CD2 3.67Å; W417-Y421 AromaticContact CE3-CE2 3.64Å; W417-Y421 HydrophobicContact CE3-CE2 3.64Å; W417-Y421 HydrophobicContact CG-CD2 4.22Å; W417-Y421 HydrophobicContact CH2-CD2 4.18Å; W417-Y421 HydrophobicContact CH2-CE2 4.11Å; W417-Y421 HydrophobicContact CZ2-CD2 4.15Å; W417-Y421 AromaticContact CZ3-CD2 3.94Å; W417-Y421 HydrophobicContact CZ3-CD2 3.94Å; W417-Y421 AromaticContact CZ3-CE2 3.63Å; W417-Y421 HydrophobicContact CZ3-CE2 3.63Å; W417-Y421 WeakPolarHBondContact O-CD2 3.39Å; W417-Y421 PolarHBondContact O-N 2.85Å; W417-G428 VanDerWaalsContact CH2-O 3.25Å; W417-G428 WeakPolarHBondContact CH2-O 3.38Å; W417-A432 HydrophobicContact CH2-CB 4.19Å
418K80.8Confident77.2Confident18 Ų1848.6 Ų48.68%0.07824%0.244CC..Hα-helixtrans-68.4-38179.1-70.9-57.2-173.5-166.70112.1E379 P393 V414 A415 R420 S422E379-K418 IonicContact OE1-NZ 2.62Å; E379-K418 PolarHBondContact OE1-NZ 2.94Å; P393-K418 HydrophobicContact CB-CG 4.27Å; V414-K418 HydrophobicContact CG1-CG 4.34Å; V414-K418 WeakPolarHBondContact O-CG 3.46Å; V414-K418 PolarHBondContact O-N 3.42Å; A415-K418 PolarHBondContact O-N 3.12Å; K418-R420 VanDerWaalsContact C-N 3.3Å; K418-R420 PolarHBondContact O-N 2.83Å; K418-S422 WeakPolarHBondContact O-CB 3.24Å; K418-S422 PolarHBondContact O-N 3.44Å; K418-S422 PolarHBondContact O-OG 3.29Å; K418-S422 VanDerWaalsContact O-OG 3.04Å
419E76.9Confident76.5Confident92 Ų9250 Ų5043%0.4325%0.25SS..Hα-helixtrans-57.9-43.2173.7-173.3179.6-179.300111.7F395 A415 A416F395-E419 HydrophobicContact CE2-CG 4.22Å; F395-E419 WeakPolarHBondContact CE2-O 3.42Å; A415-E419 WeakPolarHBondContact O-CB 3.42Å; A415-E419 PolarHBondContact O-N 3.04Å; A416-E419 PolarHBondContact O-N 2.94Å
420R78.1Confident75.4Confident156 Ų15650.3 Ų50.359%0.58926%0.259SS*.Hα-helixtrans-78.4-39.3-177.5-172.8169-176.7144-0.1114.3L364 A416 W417 K418L364-R420 HydrophobicContact CD1-CB 4.26Å; A416-R420 WeakPolarHBondContact O-CB 3.45Å; A416-R420 PolarHBondContact O-N 2.87Å; A416-R420 VanDerWaalsContact O-N 3.08Å; W417-R420 PolarHBondContact O-N 2.65Å; K418-R420 VanDerWaalsContact C-N 3.3Å; K418-R420 PolarHBondContact O-N 2.83Å
421Y80.7Confident74.5Confident29 Ų2952.5 Ų52.511%0.11427%0.272CS..Hα-helixtrans-118.12.7-165.7-60.4-70.1000114.8W417 M423 N424 R425W417-Y421 AromaticContact CD2-CD2 3.65Å; W417-Y421 HydrophobicContact CD2-CD2 3.65Å; W417-Y421 HydrophobicContact CD2-CE2 4.13Å; W417-Y421 AromaticContact CE2-CD2 3.88Å; W417-Y421 AromaticContact CE3-CD2 3.67Å; W417-Y421 HydrophobicContact CE3-CD2 3.67Å; W417-Y421 AromaticContact CE3-CE2 3.64Å; W417-Y421 HydrophobicContact CE3-CE2 3.64Å; W417-Y421 HydrophobicContact CG-CD2 4.22Å; W417-Y421 HydrophobicContact CH2-CD2 4.18Å; W417-Y421 HydrophobicContact CH2-CE2 4.11Å; W417-Y421 HydrophobicContact CZ2-CD2 4.15Å; W417-Y421 AromaticContact CZ3-CD2 3.94Å; W417-Y421 HydrophobicContact CZ3-CD2 3.94Å; W417-Y421 AromaticContact CZ3-CE2 3.63Å; W417-Y421 HydrophobicContact CZ3-CE2 3.63Å; W417-Y421 WeakPolarHBondContact O-CD2 3.39Å; W417-Y421 PolarHBondContact O-N 2.85Å; Y421-M423 VanDerWaalsContact C-N 3.27Å; Y421-M423 PolarHBondContact O-N 2.75Å; Y421-N424 CarbonylContact O-C 2.81Å; Y421-N424 PolarHBondContact O-N 2.86Å; Y421-R425 WeakPolarHBondContact O-CA 3.46Å; Y421-R425 PolarHBondContact O-N 3.09Å; Y421-R425 VanDerWaalsContact O-N 3.15Å
422S77.8Confident73.4Confident42 Ų4252 Ų5229%0.29427%0.27SS..SBendtrans-60.2-36179.657.80000113.4F395 K418F395-S422 WeakPolarHBondContact CD2-OG 3.46Å; K418-S422 WeakPolarHBondContact O-CB 3.24Å; K418-S422 PolarHBondContact O-N 3.44Å; K418-S422 PolarHBondContact O-OG 3.29Å; K418-S422 VanDerWaalsContact O-OG 3.04Å
423M74.4Confident72Confident153 Ų15354 Ų5475%0.75428%0.276SS*.SBendtrans-82.3-21-179.1-62.2-60.1-17300113.3Y421Y421-M423 VanDerWaalsContact C-N 3.27Å; Y421-M423 PolarHBondContact O-N 2.75Å
424N79.2Confident70.5Confident93 Ų9358.6 Ų58.650%0.49730%0.304SS..  trans-144.579.5177.4-172.5-9000110Y421 D426 A427Y421-N424 CarbonylContact O-C 2.81Å; Y421-N424 PolarHBondContact O-N 2.86Å; N424-D426 VanDerWaalsContact C-N 3.29Å; N424-D426 PolarHBondContact O-N 3.18Å; N424-A427 HydrophobicContact CB-CB 4.34Å; N424-A427 PolarHBondContact O-N 2.8Å; N424-A427 PolarHBondContact OD1-N 2.8Å
425R76.2Confident69.1Low52 Ų5260.4 Ų60.420%0.19632%0.317CS..Hα-helixtrans-64.3-34.8-177.8-71-179.263.3-138.53.3112.4E379 Y382 D383 Y421 A427 G428 K429E379-R425 IonicContact OE2-CZ 3.7Å; E379-R425 IonicContact OE2-NE 2.75Å; E379-R425 PolarHBondContact OE2-NE 3.36Å; E379-R425 IonicContact OE2-NH2 2.85Å; E379-R425 PolarHBondContact OE2-NH2 2.91Å; Y382-R425 VanDerWaalsContact CD1-NH1 3.3Å; Y382-R425 VanDerWaalsContact CE1-CZ 3.42Å; D383-R425 IonicContact OD1-CZ 3.28Å; D383-R425 VanDerWaalsContact OD1-CZ 3.28Å; D383-R425 IonicContact OD1-NH1 2.86Å; D383-R425 PolarHBondContact OD1-NH1 2.85Å; D383-R425 IonicContact OD1-NH2 2.88Å; D383-R425 PolarHBondContact OD1-NH2 3.07Å; D383-R425 IonicContact OD2-NH2 3.35Å; Y421-R425 WeakPolarHBondContact O-CA 3.46Å; Y421-R425 PolarHBondContact O-N 3.09Å; Y421-R425 VanDerWaalsContact O-N 3.15Å; R425-A427 PolarHBondContact O-N 3.03Å; R425-G428 PolarHBondContact O-N 3Å; R425-K429 PolarHBondContact O-N 3.25Å; R425-K429 VanDerWaalsContact O-N 3.12Å
426D72Confident67.6Low113 Ų11366.2 Ų66.260%0.60434%0.337SS*.Hα-helixtrans-69.4-22.4-177.9-63.8-37.3000112.3N424 P430N424-D426 VanDerWaalsContact C-N 3.29Å; N424-D426 PolarHBondContact O-N 3.18Å; D426-P430 WeakPolarHBondContact O-CD 3.15Å; D426-P430 WeakPolarHBondContact O-CG 3.47Å
427A68.9Low66.1Low47 Ų4772.2 Ų72.239%0.38836%0.356SS..Hα-helixtrans-72.4-26.8168.700000113.2N424 R425N424-A427 HydrophobicContact CB-CB 4.34Å; N424-A427 PolarHBondContact O-N 2.8Å; N424-A427 PolarHBondContact OD1-N 2.8Å; R425-A427 PolarHBondContact O-N 3.03Å
428G64Low64.4Low0 Ų078 Ų780%038%0.378CS..Hα-helixtrans-82.4-36.7178.700000113.3W417 R425 V431 A432W417-G428 VanDerWaalsContact CH2-O 3.25Å; W417-G428 WeakPolarHBondContact CH2-O 3.38Å; R425-G428 PolarHBondContact O-N 3Å; G428-V431 WeakPolarHBondContact O-CB 3.23Å; G428-V431 PolarHBondContact O-N 3.42Å; G428-V431 VanDerWaalsContact O-N 3.08Å; G428-A432 PolarHBondContact O-N 2.98Å
429K65.6Low62.6Low67 Ų6778.8 Ų78.829%0.29139%0.386SS..Hα-helixtrans-54.3-46.3-177.7-73.8-179.8174.2-172.70113.4D383 R425 V431 A432 F433D383-K429 IonicContact OD2-NZ 3.24Å; D383-K429 PolarHBondContact OD2-NZ 3.26Å; R425-K429 PolarHBondContact O-N 3.25Å; R425-K429 VanDerWaalsContact O-N 3.12Å; K429-V431 VanDerWaalsContact C-N 3.34Å; K429-V431 PolarHBondContact O-N 3.08Å; K429-A432 PolarHBondContact O-N 3.34Å; K429-F433 VanDerWaalsContact O-CB 3.31Å; K429-F433 WeakPolarHBondContact O-CB 2.99Å; K429-F433 PolarHBondContact O-N 2.97Å
430P56Low61Low67 Ų6777 Ų7744%0.43539%0.387SS..Hα-helixtrans-60.9-37.3176.2-24.533.3000113.5D426 A432 F433 V434D426-P430 WeakPolarHBondContact O-CD 3.15Å; D426-P430 WeakPolarHBondContact O-CG 3.47Å; P430-A432 VanDerWaalsContact C-N 3.31Å; P430-A432 PolarHBondContact O-N 3.43Å; P430-F433 PolarHBondContact O-N 3.33Å; P430-V434 VanDerWaalsContact O-CB 3.28Å; P430-V434 WeakPolarHBondContact O-CB 3.43Å; P430-V434 VanDerWaalsContact O-CG2 3.24Å; P430-V434 WeakPolarHBondContact O-CG2 3.25Å; P430-V434 PolarHBondContact O-N 3.17Å
431V58.6Low59.3Low58 Ų5875.3 Ų75.335%0.35238%0.384SS..Hα-helixtrans-61.3-42.7178179.20000110.4L367 G428 K429 S435L367-V431 HydrophobicContact CD1-CG1 4.13Å; G428-V431 WeakPolarHBondContact O-CB 3.23Å; G428-V431 PolarHBondContact O-N 3.42Å; G428-V431 VanDerWaalsContact O-N 3.08Å; K429-V431 VanDerWaalsContact C-N 3.34Å; K429-V431 PolarHBondContact O-N 3.08Å; V431-S435 VanDerWaalsContact O-CB 3.23Å; V431-S435 WeakPolarHBondContact O-CB 3.4Å
432A55.3Low57.6Low2 Ų277.4 Ų77.42%0.01740%0.397CS..Hα-helixtrans-72.5-39175.100000112I372 L376 W417 G428 K429 P430 R436I372-A432 WeakPolarHBondContact CG2-O 3.24Å; L376-A432 HydrophobicContact CD2-CB 3.63Å; L376-A432 HydrophobicContact CG-CB 3.86Å; W417-A432 HydrophobicContact CH2-CB 4.19Å; G428-A432 PolarHBondContact O-N 2.98Å; K429-A432 PolarHBondContact O-N 3.34Å; P430-A432 VanDerWaalsContact C-N 3.31Å; P430-A432 PolarHBondContact O-N 3.43Å; A432-R436 PolarHBondContact O-N 3.19Å
433F50.4Low55.8Low108 Ų10882.6 Ų82.647%0.47441%0.414SS..Hα-helixtrans-73.6-47.9-174.6-147.8-99.9000113.3L376 K429 P430 S435 R436 Y437L376-F433 HydrophobicContact CD2-CD2 4.32Å; K429-F433 VanDerWaalsContact O-CB 3.31Å; K429-F433 WeakPolarHBondContact O-CB 2.99Å; K429-F433 PolarHBondContact O-N 2.97Å; P430-F433 PolarHBondContact O-N 3.33Å; F433-S435 PolarHBondContact O-N 3.12Å; F433-R436 WeakPolarHBondContact O-CB 3.31Å; F433-R436 PolarHBondContact O-N 3.38Å; F433-Y437 HydrophobicContact CD1-CD2 4.02Å; F433-Y437 AromaticContact CD1-CE2 3.83Å; F433-Y437 HydrophobicContact CD1-CE2 3.83Å; F433-Y437 HydrophobicContact CE1-CD2 4.05Å; F433-Y437 AromaticContact CE1-CE2 3.38Å; F433-Y437 HydrophobicContact CE1-CE2 3.38Å; F433-Y437 HydrophobicContact CZ-CE2 4.03Å; F433-Y437 PolarHBondContact O-N 3.44Å
434V49.4Very low54.1Low96 Ų9684.1 Ų84.158%0.58241%0.412SS*.Hα-helixtrans-59-40.4177.7172.20000110.3P430 R436 Y437 Y438P430-V434 VanDerWaalsContact O-CB 3.28Å; P430-V434 WeakPolarHBondContact O-CB 3.43Å; P430-V434 VanDerWaalsContact O-CG2 3.24Å; P430-V434 WeakPolarHBondContact O-CG2 3.25Å; P430-V434 PolarHBondContact O-N 3.17Å; V434-R436 PolarHBondContact O-N 3.21Å; V434-Y437 PolarHBondContact O-N 2.85Å; V434-Y438 PolarHBondContact O-N 3.21Å
435S50Low52.1Low40 Ų4084.4 Ų84.428%0.2841%0.413SS..Hα-helixtrans-74.8-26.6-176.7-144.40000112.7I372 V431 F433 S439I372-S435 WeakPolarHBondContact CD1-OG 3.47Å; V431-S435 VanDerWaalsContact O-CB 3.23Å; V431-S435 WeakPolarHBondContact O-CB 3.4Å; F433-S435 PolarHBondContact O-N 3.12Å; S435-S439 WeakPolarHBondContact O-CB 3.28Å; S435-S439 PolarHBondContact O-N 3.34Å; S435-S439 PolarHBondContact O-OG 3.41Å
436R45.2Very low50.4Low129 Ų12991.8 Ų91.849%0.48744%0.441SS..Hα-helixtrans-66.1-44168-179.8172.9178.8166.50.9111.8I372 L376 A432 F433 V434 S439 A440I372-R436 HydrophobicContact CG2-CB 3.92Å; L376-R436 HydrophobicContact CD1-CB 4.03Å; L376-R436 VanDerWaalsContact CD1-CD 3.41Å; L376-R436 HydrophobicContact CD1-CG 4.31Å; A432-R436 PolarHBondContact O-N 3.19Å; F433-R436 WeakPolarHBondContact O-CB 3.31Å; F433-R436 PolarHBondContact O-N 3.38Å; V434-R436 PolarHBondContact O-N 3.21Å; R436-S439 PolarHBondContact O-N 3.18Å; R436-A440 WeakPolarHBondContact O-CB 3.35Å; R436-A440 PolarHBondContact O-N 3.47Å
437Y47.1Very low48.9Very low152 Ų15290.2 Ų90.260%0.59644%0.439SS*.Hα-helixtrans-65.6-40.8175.6-88.8-91.7000111.6F433 V434 S439 A440 F441F433-Y437 HydrophobicContact CD1-CD2 4.02Å; F433-Y437 AromaticContact CD1-CE2 3.83Å; F433-Y437 HydrophobicContact CD1-CE2 3.83Å; F433-Y437 HydrophobicContact CE1-CD2 4.05Å; F433-Y437 AromaticContact CE1-CE2 3.38Å; F433-Y437 HydrophobicContact CE1-CE2 3.38Å; F433-Y437 HydrophobicContact CZ-CE2 4.03Å; F433-Y437 PolarHBondContact O-N 3.44Å; V434-Y437 PolarHBondContact O-N 2.85Å; Y437-S439 PolarHBondContact O-N 3.5Å; Y437-A440 PolarHBondContact O-N 3.47Å; Y437-F441 WeakPolarHBondContact O-CB 3.18Å; Y437-F441 PolarHBondContact O-N 3.35Å
438Y46.4Very low47.5Very low123 Ų12396.5 Ų96.548%0.48246%0.458SS..Hα-helixtrans-61.4-43.7176.3-140.1-92.7000111.8V434 F441 I442V434-Y438 PolarHBondContact O-N 3.21Å; Y438-F441 PolarHBondContact O-N 3.3Å; Y438-I442 HydrophobicContact CD1-CG1 4.37Å; Y438-I442 VanDerWaalsContact O-CG1 3.3Å; Y438-I442 WeakPolarHBondContact O-CG1 3.24Å; Y438-I442 PolarHBondContact O-N 3.03Å
439S42.5Very low46Very low36 Ų3698.7 Ų98.725%0.25248%0.48SS..Hα-helixtrans-64.8-42.9175.8-64.20000112.6S369 S435 R436 Y437 F443S369-S439 WeakPolarHBondContact OG-CB 3.3Å; S369-S439 PolarHBondContact OG-OG 3.04Å; S435-S439 WeakPolarHBondContact O-CB 3.28Å; S435-S439 PolarHBondContact O-N 3.34Å; S435-S439 PolarHBondContact O-OG 3.41Å; R436-S439 PolarHBondContact O-N 3.18Å; Y437-S439 PolarHBondContact O-N 3.5Å; S439-F443 WeakPolarHBondContact O-CB 2.88Å; S439-F443 PolarHBondContact O-N 3.39Å
440A44Very low44.6Very low55 Ų55105.4 Ų105.446%0.45551%0.509SS..Hα-helixtrans-67.4-36.3177.500000112.5R436 Y437 F443 R444R436-A440 WeakPolarHBondContact O-CB 3.35Å; R436-A440 PolarHBondContact O-N 3.47Å; Y437-A440 PolarHBondContact O-N 3.47Å; A440-F443 PolarHBondContact O-N 3.44Å; A440-R444 PolarHBondContact O-N 3.32Å
441F41.1Very low43.4Very low119 Ų119109.2 Ų109.252%0.52253%0.526SS..Hα-helixtrans-66.5-45.9176.9-175-104.7000111.8Y437 Y438 F443 R444 L445Y437-F441 WeakPolarHBondContact O-CB 3.18Å; Y437-F441 PolarHBondContact O-N 3.35Å; Y438-F441 PolarHBondContact O-N 3.3Å; F441-F443 VanDerWaalsContact C-N 3.35Å; F441-F443 PolarHBondContact O-N 3.43Å; F441-R444 PolarHBondContact O-N 3.28Å; F441-L445 HydrophobicContact CD1-CD1 3.77Å; F441-L445 HydrophobicContact CE1-CD1 3.43Å; F441-L445 VanDerWaalsContact CE1-CD1 3.43Å; F441-L445 HydrophobicContact CE1-CG 4.37Å; F441-L445 HydrophobicContact CZ-CD1 3.95Å; F441-L445 WeakPolarHBondContact O-CG 3.47Å; F441-L445 PolarHBondContact O-N 3.49Å
442I45.9Very low41.9Very low73 Ų73116.7 Ų116.737%0.37455%0.548SS..Hα-helixtrans-62.6-40.7174.6-67.2-76.8000111.4Y438 L445 R446Y438-I442 HydrophobicContact CD1-CG1 4.37Å; Y438-I442 VanDerWaalsContact O-CG1 3.3Å; Y438-I442 WeakPolarHBondContact O-CG1 3.24Å; Y438-I442 PolarHBondContact O-N 3.03Å; I442-L445 PolarHBondContact O-N 3.47Å; I442-R446 PolarHBondContact O-N 3.39Å
443F39.5Very low40.6Very low152 Ų152121.7 Ų121.767%0.66759%0.589SS**Hα-helixtrans-65.7-40.6177.8-169.6-95.1000112.4S439 A440 F441 R446 S447S439-F443 WeakPolarHBondContact O-CB 2.88Å; S439-F443 PolarHBondContact O-N 3.39Å; A440-F443 PolarHBondContact O-N 3.44Å; F441-F443 VanDerWaalsContact C-N 3.35Å; F441-F443 PolarHBondContact O-N 3.43Å; F443-R446 PolarHBondContact O-N 3.23Å; F443-S447 PolarHBondContact O-N 2.76Å; F443-S447 PolarHBondContact O-OG 2.99Å
444R38.8Very low39.5Very low185 Ų185122.9 Ų122.970%0.69860%0.6SS**Hα-helixtrans-63.7-39.7172.4-103.6-176.7-175.1-1771.6113A440 F441 R446 S447 F448A440-R444 PolarHBondContact O-N 3.32Å; F441-R444 PolarHBondContact O-N 3.28Å; R444-R446 PolarHBondContact O-N 3.13Å; R444-S447 WeakPolarHBondContact CA-OG 3.46Å; R444-S447 PolarHBondContact O-N 2.97Å; R444-S447 PolarHBondContact O-OG 2.83Å; R444-S447 VanDerWaalsContact O-OG 3.13Å; R444-F448 PolarHBondContact O-N 3.18Å
445L38.5Very low38.6Very low99 Ų99122.8 Ų122.852%0.51860%0.601SS.*Hα-helixtrans-64.2-39.2175.8-77.7169.6000112.3F441 I442 S447 F448 G449F441-L445 HydrophobicContact CD1-CD1 3.77Å; F441-L445 HydrophobicContact CE1-CD1 3.43Å; F441-L445 VanDerWaalsContact CE1-CD1 3.43Å; F441-L445 HydrophobicContact CE1-CG 4.37Å; F441-L445 HydrophobicContact CZ-CD1 3.95Å; F441-L445 WeakPolarHBondContact O-CG 3.47Å; F441-L445 PolarHBondContact O-N 3.49Å; I442-L445 PolarHBondContact O-N 3.47Å; L445-S447 VanDerWaalsContact C-N 3.32Å; L445-S447 PolarHBondContact O-N 3.35Å; L445-F448 PolarHBondContact O-N 2.94Å; L445-G449 PolarHBondContact O-N 2.81Å
446R39Very low37.6Very low206 Ų206127.9 Ų127.978%0.77763%0.63SS**Hα-helixtrans-68.4-27176-74.7-176.9177.6-173.2-0.1113.9I442 F443 R444I442-R446 PolarHBondContact O-N 3.39Å; F443-R446 PolarHBondContact O-N 3.23Å; R444-R446 PolarHBondContact O-N 3.13Å
447S41.6Very low36.8Very low81 Ų81130.1 Ų130.157%0.56665%0.646SS**Hα-helixtrans-84.9-17.7178.530.10000113.4F443 R444 L445F443-S447 PolarHBondContact O-N 2.76Å; F443-S447 PolarHBondContact O-OG 2.99Å; R444-S447 WeakPolarHBondContact CA-OG 3.46Å; R444-S447 PolarHBondContact O-N 2.97Å; R444-S447 PolarHBondContact O-OG 2.83Å; R444-S447 VanDerWaalsContact O-OG 3.13Å; L445-S447 VanDerWaalsContact C-N 3.32Å; L445-S447 PolarHBondContact O-N 3.35Å
448F37.9Very low35.9Very low179 Ų179128.8 Ų128.879%0.78565%0.654SS**Hα-helixtrans-99.5-5.5178.3-92.1-89.1000115R444 L445R444-F448 PolarHBondContact O-N 3.18Å; L445-F448 PolarHBondContact O-N 2.94Å
449G33.4Very low35Very low45 Ų45130.1 Ų130.146%0.46467%0.666SS.*  trans-116.880-169.100000115.6L445L445-G449 PolarHBondContact O-N 2.81Å
450K35.4Very low34.3Very low208 Ų208134.8 Ų134.890%0.90469%0.693SS**SBendtrans-90.7-4151-99.2-171.5-179.6-1780113.3
451N30.9Very low33.4Very low147 Ų147137.5 Ų137.579%0.78670%0.704SS**SBendtrans-141.423.4-171.6-84.6-20.1000116.4
452W28.6Very low32.8Very low215 Ų215141.4 Ų141.481%0.81472%0.724SS**  trans-133.595.9170.9-7286.7000110.5L454W452-L454 PolarHBondContact O-N 3.39Å
453A27.7Very low32Very low108 Ų108146.7 Ų146.789%0.89374%0.744SS**  trans-76.2106.4162.900000108.1
454L27.1Very low31.4Very low132 Ų132146.6 Ų146.669%0.69175%0.75SS**  trans-123.9136.4162.6-97.3152000107.7W452 V456W452-L454 PolarHBondContact O-N 3.39Å; L454-V456 PolarHBondContact O-N 3.42Å
455P29.4Very low30.8Very low94 Ų94143.5 Ų143.561%0.6175%0.754SS**  trans-69.3133.1-171.9-10.725.8000110.7E457P455-E457 PolarHBondContact O-N 3.03Å
456V29.5Very low30.2Very low147 Ų147145.8 Ų145.889%0.89177%0.765SS**THydrogen-bonded Turntrans-76.749.3178.2-171.90000110.9L454L454-V456 PolarHBondContact O-N 3.42Å
457E28.6Very low29.5Very low177 Ų177142.3 Ų142.383%0.82777%0.766SS**THydrogen-bonded Turntrans-123.9-0.4-179.3-79.6-173158.600115.3P455P455-E457 PolarHBondContact O-N 3.03Å
458T27.8Very low28.9Very low124 Ų124142.4 Ų142.476%0.76177%0.773SS**SBendtrans-112.112.5-175.816.40000116.8
459M27.4Very low28.3Very low150 Ų150140.4 Ų140.474%0.73978%0.775SS**SBendtrans-126.317.7176.8-80-164.6135.800116.1
460V27.7Very low28.1Very low135 Ų135144.2 Ų144.282%0.81880%0.795SS**  trans-121.456.9170.6-168.70000110.5
461T26Very low27.9Very low112 Ų112137.8 Ų137.869%0.68779%0.788SS**  trans-145.864.4166.350.10000111.3
462Q28.8Very low27.9Very low200 Ų200142.2 Ų142.294%0.93579%0.793SS**  trans-114.773.9139.2-82.3-170.9-9.500107L464Q462-L464 PolarHBondContact O-N 2.78Å
463K28.6Very low28Very low184 Ų184142.7 Ų142.780%0.880%0.795SS**  trans-64112.3161.7-77.4-177.5176.3177.90106.5
464L25.9Very low27.9Very low150 Ų150144.5 Ų144.579%0.78579%0.79SS**  trans-41.4135.7148.9-77.2153.2000107.8Q462 I466Q462-L464 PolarHBondContact O-N 2.78Å; L464-I466 PolarHBondContact O-N 3.47Å
465P26.6Very low28Very low120 Ų120149.9 Ų149.978%0.77980%0.8SS**  trans-68.396.5-169.227.9-32.5000109.6V467P465-V467 PolarHBondContact O-N 2.87Å
466I27.2Very low27.7Very low147 Ų147156.5 Ų156.575%0.75481%0.813SS**  trans-84.1101.6159.6-60.9174.9000104.9L464 A468L464-I466 PolarHBondContact O-N 3.47Å; I466-A468 HydrophobicContact CG2-CB 4.5Å; I466-A468 PolarHBondContact O-N 3.19Å
467V24.5Very low27.6Very low133 Ų133159.4 Ų159.481%0.80682%0.815SS**  trans-59.1105.9164.8176.60000107.1P465P465-V467 PolarHBondContact O-N 2.87Å
468A28.5Very low27.6Very low84 Ų84158.5 Ų158.569%0.69481%0.814SS**  trans-135.1104.7166.500000108.1I466I466-A468 HydrophobicContact CG2-CB 4.5Å; I466-A468 PolarHBondContact O-N 3.19Å
469T25.3Very low27.9Very low137 Ų137158 Ų15884%0.8481%0.812SS**  trans-61.7138.3172.244.20000110.3
470S28.5Very low28.1Very low125 Ų125157.8 Ų157.887%0.87482%0.82SS**  trans-141.5124.2159.5740000109.9
471G31.1Very low28Very low73 Ų73154.8 Ų154.875%0.75382%0.816SS**  trans-175.771.7-173.600000113.2
472R31.4Very low28.2Very low239 Ų239159.6 Ų159.690%0.90283%0.828SS**  trans71.2118.3150.2-66.7179.7174.4178.3-1120.8
473R29.5Very low28.2Very low226 Ų226155.6 Ų155.685%0.85382%0.822SS**  trans51.3121.7131.7-72.1-176.3175.4175.1-1.4120
474N25.8Very low28.3Very low146 Ų146152.3 Ų152.378%0.78182%0.82SS**  trans57.9105.4139.5-73.2-8.1000118.8
475R30Very low28.5Very low244 Ų244151.3 Ų151.392%0.92182%0.822SS**  166.2149.4107.1-89.7174.8-174.7-1702.3110.9
476R23.1Very low28.6Very low233 Ų233152.6 Ų152.688%0.87982%0.821SS**  trans-47.9142171.6-65.3171.7174.4171.6-3.5111.9
477F28Very low28.4Very low209 Ų209151 Ų15192%0.91782%0.823SS**  -174.4154.9125-104.5-77.5000111.9
478I29Very low28.5Very low158 Ų158153 Ų15381%0.8182%0.821SS**  trans-85.5163.3-165.5-75.3166.8000111.6
479P33.1Very low28.4Very low113 Ų113153.4 Ų153.473%0.73483%0.825SS**  trans-100.9158.7-149.438.2-31.6000115.5
480T31.2Very low28.5Very low145 Ų145156.6 Ų156.689%0.8983%0.828SS**  trans-148.5123.1159.753.50000113.7
481G25.9Very low28.3Very low73 Ų73159.7 Ų159.775%0.75383%0.828SS**  trans16124.5150.300000123.4
482K30Very low28.1Very low212 Ų212165.8 Ų165.892%0.92283%0.834SS**  158.4120.9115.4-85.8179.9-178.5-1790110.4
483S28.4Very low27.8Very low116 Ų116160.6 Ų160.681%0.81183%0.833SS**  trans-82.3153.9169.746.50000112.2
484P31.1Very low27.6Very low116 Ų116154.5 Ų154.575%0.75383%0.825SS**  -136.3169.2125.428.2-9.2000113.2
485P29.5Very low27.8Very low128 Ų128156 Ų15683%0.83183%0.832SS**  trans-88.9143.9-161.335.1-31.4000112.5
486L29.4Very low27.6Very low147 Ų147154.8 Ų154.877%0.7783%0.828SS**  trans-109.4103.5171.6-94.6158.3000110.2F488L486-F488 HydrophobicContact CB-CD2 4.36Å; L486-F488 HydrophobicContact CB-CE2 4.39Å; L486-F488 HydrophobicContact CD1-CE2 4.48Å; L486-F488 HydrophobicContact CD2-CE2 4.18Å
487S24Very low28Very low114 Ų114151.4 Ų151.480%0.79783%0.827SS**  trans-66.5116.7153.850.60000109.2
488F26.3Very low27.8Very low174 Ų174145 Ų14576%0.76382%0.82SS**  trans-99.1105.9166.4-98.4-88.8000109.3L486L486-F488 HydrophobicContact CB-CD2 4.36Å; L486-F488 HydrophobicContact CB-CE2 4.39Å; L486-F488 HydrophobicContact CD1-CE2 4.48Å; L486-F488 HydrophobicContact CD2-CE2 4.18Å
489A25.8Very low27.7Very low94 Ų94146.5 Ų146.578%0.77783%0.826SS**  trans-75.2132.4159.800000108.4E491A489-E491 PolarHBondContact O-N 3.46Å
490F27.1Very low27.3Very low203 Ų203147.6 Ų147.689%0.8983%0.831SS**  trans-79.9111.2168.4-98.7-90.9000108.8
491E24.8Very low27.1Very low191 Ų191146.9 Ų146.989%0.89383%0.827SS**  trans-73.2118.2163.7-106.3175.8157.900109.3A489A489-E491 PolarHBondContact O-N 3.46Å
492F25.6Very low27.2Very low200 Ų200151.5 Ų151.588%0.87783%0.833SS**  trans-78.4112.9166.9-106.7-96.6000108.7S494F492-S494 PolarHBondContact O-N 3.47Å
493C27Very low26.8Very low130 Ų130146.7 Ų146.788%0.87883%0.825SS**  trans-68.1117164.6-90.10000109.9L495C493-L495 PolarHBondContact O-N 3.26Å
494S25.5Very low26.6Very low98 Ų98146 Ų14669%0.68582%0.82SS**  trans-56.1121.9169.7133.30000111.9F492F492-S494 PolarHBondContact O-N 3.47Å
495L28.5Very low26.2Very low177 Ų177147.3 Ų147.393%0.92782%0.82SS**  trans-113.593147.3-93.3157.7000106.7C493C493-L495 PolarHBondContact O-N 3.26Å
496R26.8Very low26Very low219 Ų219150.3 Ų150.383%0.82682%0.82SS**  trans-77.6119.2160.6-87.5-179172.4-167.1-4.3107.5
497D30.2Very low25.7Very low163 Ų163148.2 Ų148.287%0.87282%0.817SS**  -175.9126.7119.1-88-21.3000111.3
498G25.6Very low25.7Very low74 Ų74152.1 Ų152.176%0.76382%0.82SS**  trans81.384.5149.200000119.2
499M26.7Very low25.7Very low189 Ų189153.3 Ų153.393%0.93183%0.825SS**  177.899.3120.7-94.6-170.1103.800110.5
500T24.2Very low25.8Very low137 Ų137154.3 Ų154.384%0.8483%0.826SS**  trans-92110.3163.838.50000109.3
501T27.5Very low25.7Very low130 Ų130151.9 Ų151.980%0.79883%0.828SS**  trans-171.3140.5139.9-0.80000112.6
502L26.8Very low25.8Very low170 Ų170146.2 Ų146.289%0.8982%0.82SS**  trans104.7104.1160.9-73.5156.8000119.1
503C23Very low26Very low111 Ų111143.2 Ų143.275%0.7581%0.812SS**  trans-65160.1172.8-62.20000115
504S22.2Very low26.1Very low100 Ų100146.2 Ų146.270%0.69981%0.813SS**  trans58.2111.5139.860.30000119.1
505L23.4Very low26.3Very low145 Ų145149.5 Ų149.576%0.75982%0.822SS**  163.7112.3119.4-102.2121.7000109.3
506F26.3Very low26.5Very low190 Ų190148.3 Ų148.383%0.83382%0.815SS**  167.8109.7115.7-101-81.4000110.6
507C22.3Very low26.6Very low104 Ų104147.7 Ų147.770%0.70382%0.819SS**  trans-64.5161158.7-73.40000111
508F24.4Very low26.5Very low195 Ų195152.7 Ų152.786%0.85583%0.832SS**  trans103.3127.5167.5-72-86.9000117.1
509F26.2Very low26.6Very low199 Ų199156.7 Ų156.787%0.87384%0.836SS**  trans91.269.5179.5-66.8-82.5000117.6
510S26.9Very low26.6Very low115 Ų115154.9 Ų154.980%0.80483%0.831SS**  trans-139.978.3144.3-80.70000109.6
511V25.9Very low26.7Very low153 Ų153155.9 Ų155.993%0.92783%0.83SS**  trans-125.786.3157.9-179.30000105.4
512G27.4Very low26.7Very low71 Ų71157.5 Ų157.573%0.73283%0.832SS**  trans-1777.9-175.700000114.6
513I29.2Very low26.6Very low138 Ų138156.7 Ų156.771%0.70883%0.829SS**  trans-129.167.3177.7-53.3-176.4000108.6
514E28.2Very low26.9Very low193 Ų193159.7 Ų159.790%0.90283%0.834SS**SBendtrans-137.912.1162.9-96.1-139.115000113.9
515L30.7Very low27.2Very low167 Ų167164 Ų16487%0.87484%0.844SS**SBendtrans-116.116.1-179.5-83.9163.7000115.3
516I33.3Very low27.5Very low152 Ų152165.5 Ų165.578%0.77985%0.85SS**SBendtrans-12646.6176.1-46.5-179.4000111.2
517K27.6Very low27.6Very low206 Ų206163.4 Ų163.490%0.89685%0.852SS**  trans-133.520.4167.2-86.1-169.3177178.50114
518K29.3Very low28.1Very low268 Ų268168.8 Ų168.8100%1.16587%0.865SS**  trans-130.90157.7-85.5-174.5177178.60107.6

Retrieved 518 of 518 residues in 333 ms (Link to these results)

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