A0A087X7J8_POEFO Loading...

Integrator complex subunit 10

AlphaFold DB , UniProt , Accession A0A087X7J8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 714 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
1M46.9Very low76.5Confident211 Ų21184.3 Ų84.3100%1.03943%0.433SS*.  0-25.60-72.7-119-91.500114.4
2S63.8Low77.6Confident85 Ų8587.7 Ų87.759%0.59444%0.442SS*.Hα-helixtrans-73.4-56.1173-172.70000112.6Q4 K5 D6S2-Q4 VanDerWaalsContact C-N 3.27Å; S2-Q4 PolarHBondContact O-N 2.67Å; S2-Q4 VanDerWaalsContact O-N 3.09Å; S2-K5 PolarHBondContact O-N 2.58Å; S2-D6 VanDerWaalsContact C-OD2 3.24Å; S2-D6 VanDerWaalsContact O-CG 3.27Å; S2-D6 PolarHBondContact O-N 2.9Å; S2-D6 VanDerWaalsContact O-N 3.14Å; S2-D6 VanDerWaalsContact O-OD2 3.06Å; S2-D6 PolarHBondContact OG-OD2 3.23Å; S2-D6 VanDerWaalsContact OG-OD2 3.06Å
3A65.8Low78.4Confident50 Ų5089.5 Ų89.541%0.41344%0.44SS..Hα-helixtrans-55.8-34.9-172.200000114.9D6 C7 Y36A3-D6 PolarHBondContact O-N 3.28Å; A3-C7 PolarHBondContact O-N 3.47Å; A3-C7 PolarHBondContact O-SG 2.98Å; A3-Y36 HydrophobicContact CB-CE1 3.95Å
4Q69.1Low79.2Confident122 Ų12283.1 Ų83.157%0.5741%0.409SS*.Hα-helixtrans-70.9-36.7-179.9-167.6153.10.600112.8S2 D6 C7 E8S2-Q4 VanDerWaalsContact C-N 3.27Å; S2-Q4 PolarHBondContact O-N 2.67Å; S2-Q4 VanDerWaalsContact O-N 3.09Å; Q4-D6 VanDerWaalsContact C-N 3.3Å; Q4-C7 PolarHBondContact O-N 2.92Å; Q4-E8 WeakPolarHBondContact O-CG 3.42Å; Q4-E8 PolarHBondContact O-N 2.9Å
5K78.2Confident79.7Confident146 Ų14686.7 Ų86.764%0.63542%0.416SS*.Hα-helixtrans-68.8-33.7173.2-66.4-175.3177.7-175.50111.3S2 F9S2-K5 PolarHBondContact O-N 2.58Å; K5-F9 WeakPolarHBondContact O-CB 3.48Å; K5-F9 PolarHBondContact O-N 3.5Å
6D82.4Confident80.3Confident62 Ų6286.8 Ų86.833%0.33242%0.416SS..Hα-helixtrans-67.9-44.1176.4-56.5-35000110.9S2 A3 Q4 F9 L10 Y36S2-D6 VanDerWaalsContact C-OD2 3.24Å; S2-D6 VanDerWaalsContact O-CG 3.27Å; S2-D6 PolarHBondContact O-N 2.9Å; S2-D6 VanDerWaalsContact O-N 3.14Å; S2-D6 VanDerWaalsContact O-OD2 3.06Å; S2-D6 PolarHBondContact OG-OD2 3.23Å; S2-D6 VanDerWaalsContact OG-OD2 3.06Å; A3-D6 PolarHBondContact O-N 3.28Å; Q4-D6 VanDerWaalsContact C-N 3.3Å; D6-F9 PolarHBondContact O-N 3.29Å; D6-L10 VanDerWaalsContact O-CG 3.29Å; D6-L10 WeakPolarHBondContact O-CG 3.47Å; D6-L10 PolarHBondContact O-N 3.22Å; D6-L10 VanDerWaalsContact O-N 3.07Å; D6-Y36 HydrophobicContact CB-CE2 4.45Å; D6-Y36 WeakPolarHBondContact CB-OH 3.38Å
7C85Confident80.8Confident6 Ų684.6 Ų84.64%0.04141%0.407CS..Hα-helixtrans-58.9-48.7172.6-67.10000112.3A3 Q4 F9 L10 V11 Y36 I42A3-C7 PolarHBondContact O-N 3.47Å; A3-C7 PolarHBondContact O-SG 2.98Å; Q4-C7 PolarHBondContact O-N 2.92Å; C7-F9 VanDerWaalsContact C-N 3.31Å; C7-F9 PolarHBondContact O-N 3.47Å; C7-L10 PolarHBondContact O-N 3.08Å; C7-V11 WeakPolarHBondContact O-CG2 3.43Å; C7-V11 PolarHBondContact O-N 2.84Å; C7-Y36 VanDerWaalsContact SG-CG 3.52Å; C7-I42 HydrophobicContact CB-CD1 4.02Å
8E84.8Confident81.2Confident112 Ų11282.8 Ų82.852%0.52340%0.401SS..Hα-helixtrans-60.8-39.9179.1-75.3171.8-170.400112.1Q4 K12Q4-E8 WeakPolarHBondContact O-CG 3.42Å; Q4-E8 PolarHBondContact O-N 2.9Å; E8-K12 VanDerWaalsContact O-CB 3.27Å; E8-K12 WeakPolarHBondContact O-CB 3.24Å; E8-K12 PolarHBondContact O-N 3.08Å
9F88.8Confident81.3Confident108 Ų10883.6 Ų83.647%0.47442%0.417SS..Hα-helixtrans-63.2-46.4175.9174.2-98.2000112.1K5 D6 C7 K12 R13K5-F9 WeakPolarHBondContact O-CB 3.48Å; K5-F9 PolarHBondContact O-N 3.5Å; D6-F9 PolarHBondContact O-N 3.29Å; C7-F9 VanDerWaalsContact C-N 3.31Å; C7-F9 PolarHBondContact O-N 3.47Å; F9-K12 PolarHBondContact O-N 3.07Å; F9-R13 HydrophobicContact CD1-CG 4.48Å; F9-R13 HydrophobicContact CD2-CG 4.5Å; F9-R13 HydrophobicContact CE1-CG 3.99Å; F9-R13 HydrophobicContact CE2-CG 4.02Å; F9-R13 HydrophobicContact CZ-CG 3.74Å; F9-R13 PolarHBondContact O-N 3.3Å
10L88.2Confident81.6Confident17 Ų1786 Ų869%0.08943%0.431CS..Hα-helixtrans-64.4-43.3-179.7-68.4169.1000111.8D6 C7 R13 A14 W28 A32 Y36D6-L10 VanDerWaalsContact O-CG 3.29Å; D6-L10 WeakPolarHBondContact O-CG 3.47Å; D6-L10 PolarHBondContact O-N 3.22Å; D6-L10 VanDerWaalsContact O-N 3.07Å; C7-L10 PolarHBondContact O-N 3.08Å; L10-R13 PolarHBondContact O-N 3.37Å; L10-A14 PolarHBondContact O-N 3.48Å; L10-W28 HydrophobicContact CD2-CE3 3.6Å; L10-W28 HydrophobicContact CD2-CZ3 3.58Å; L10-A32 HydrophobicContact CB-CB 3.86Å; L10-A32 HydrophobicContact CD1-CB 3.77Å; L10-A32 HydrophobicContact CG-CB 4.36Å; L10-Y36 HydrophobicContact CD1-CD2 4.3Å; L10-Y36 HydrophobicContact CD1-CE2 3.94Å
11V89Confident82Confident8 Ų885.4 Ų85.45%0.04843%0.429CS..Hα-helixtrans-62.2-43.5174.6169.10000111C7 A14 R15 L29 I42 E45C7-V11 WeakPolarHBondContact O-CG2 3.43Å; C7-V11 PolarHBondContact O-N 2.84Å; V11-A14 PolarHBondContact O-N 3.23Å; V11-R15 PolarHBondContact O-N 3.33Å; V11-L29 HydrophobicContact CG2-CD2 4.48Å; V11-I42 HydrophobicContact CG2-CB 4.46Å; V11-I42 HydrophobicContact CG2-CG1 3.7Å; V11-E45 HydrophobicContact CG1-CB 4.14Å; V11-E45 HydrophobicContact CG1-CG 3.96Å
12K88.9Confident83.8Confident125 Ų12578.2 Ų78.254%0.54340%0.398SS..Hα-helixtrans-62-44.8177.5-176.3179.4176-177.60111.9E8 F9 R15 E16E8-K12 VanDerWaalsContact O-CB 3.27Å; E8-K12 WeakPolarHBondContact O-CB 3.24Å; E8-K12 PolarHBondContact O-N 3.08Å; F9-K12 PolarHBondContact O-N 3.07Å; K12-R15 PolarHBondContact O-N 3.17Å; K12-E16 VanDerWaalsContact CE-OE1 3.28Å; K12-E16 WeakPolarHBondContact CE-OE1 3.46Å; K12-E16 WeakPolarHBondContact O-CG 3.34Å; K12-E16 PolarHBondContact O-N 3.47Å; K12-E16 VanDerWaalsContact O-N 3.14Å
13R89Confident84.8Confident111 Ų11178.8 Ų78.842%0.41940%0.401SS..Hα-helixtrans-64.1-38.8177.1-77.6-55.4-166.5179.76112.9F9 L10 E16 L17F9-R13 HydrophobicContact CD1-CG 4.48Å; F9-R13 HydrophobicContact CD2-CG 4.5Å; F9-R13 HydrophobicContact CE1-CG 3.99Å; F9-R13 HydrophobicContact CE2-CG 4.02Å; F9-R13 HydrophobicContact CZ-CG 3.74Å; F9-R13 PolarHBondContact O-N 3.3Å; L10-R13 PolarHBondContact O-N 3.37Å; R13-E16 WeakPolarHBondContact CD-OE2 3.49Å; R13-E16 IonicContact CZ-OE2 2.75Å; R13-E16 IonicContact NE-OE2 3.55Å; R13-E16 IonicContact NH1-OE2 3.9Å; R13-E16 PolarHBondContact NH1-OE2 2.82Å; R13-L17 WeakPolarHBondContact O-CG 3.39Å; R13-L17 PolarHBondContact O-N 3.08Å
14A88.9Confident86Confident0 Ų077.7 Ų77.70%039%0.392CS..Hα-helixtrans-60.6-47.8173.500000111.5L10 V11 E16 L17 V18 A25 W28 L29L10-A14 PolarHBondContact O-N 3.48Å; V11-A14 PolarHBondContact O-N 3.23Å; A14-E16 PolarHBondContact O-N 3.29Å; A14-L17 PolarHBondContact O-N 3.17Å; A14-L17 VanDerWaalsContact O-N 3.08Å; A14-V18 WeakPolarHBondContact O-CG2 3.42Å; A14-V18 PolarHBondContact O-N 3.48Å; A14-A25 WeakPolarHBondContact O-CB 3.46Å; A14-W28 HydrophobicContact CB-CB 4.2Å; A14-L29 HydrophobicContact CB-CD1 3.92Å; A14-L29 HydrophobicContact CB-CD2 3.65Å; A14-L29 HydrophobicContact CB-CG 3.48Å; A14-L29 VanDerWaalsContact CB-CG 3.48Å
15R87.4Confident86.9Confident137 Ų13771.9 Ų71.952%0.51737%0.365SS..Hα-helixtrans-56.4-44.7178.6-79.1180-171.7152.37.1113.7V11 K12 L17 V18 E45V11-R15 PolarHBondContact O-N 3.33Å; K12-R15 PolarHBondContact O-N 3.17Å; R15-L17 PolarHBondContact O-N 3.44Å; R15-V18 PolarHBondContact O-N 2.88Å; R15-E45 HydrophobicContact CG-CG 4.42Å; R15-E45 WeakPolarHBondContact CG-OE1 3.34Å; R15-E45 IonicContact CZ-OE2 2.89Å; R15-E45 IonicContact NE-OE1 2.66Å; R15-E45 PolarHBondContact NE-OE1 2.97Å; R15-E45 IonicContact NE-OE2 3.66Å; R15-E45 PolarHBondContact NE-OE2 3.25Å; R15-E45 IonicContact NH2-OE2 3.18Å; R15-E45 PolarHBondContact NH2-OE2 2.94Å
16E89.3Confident87.3Confident88 Ų8867.4 Ų67.441%0.41135%0.345SS..Hα-helixtrans-60-27.8178.6-72.5170.2-175.400112.3K12 R13 A14K12-E16 VanDerWaalsContact CE-OE1 3.28Å; K12-E16 WeakPolarHBondContact CE-OE1 3.46Å; K12-E16 WeakPolarHBondContact O-CG 3.34Å; K12-E16 PolarHBondContact O-N 3.47Å; K12-E16 VanDerWaalsContact O-N 3.14Å; R13-E16 WeakPolarHBondContact CD-OE2 3.49Å; R13-E16 IonicContact CZ-OE2 2.75Å; R13-E16 IonicContact NE-OE2 3.55Å; R13-E16 IonicContact NH1-OE2 3.9Å; R13-E16 PolarHBondContact NH1-OE2 2.82Å; A14-E16 PolarHBondContact O-N 3.29Å
17L88.4Confident87.6Confident51 Ų5167 Ų6727%0.26735%0.35SS..Hα-helixtrans-96.4-8-177.4-65.4170.4000113.6R13 A14 R15 S19 D20 D21 A24 A25 W28R13-L17 WeakPolarHBondContact O-CG 3.39Å; R13-L17 PolarHBondContact O-N 3.08Å; A14-L17 PolarHBondContact O-N 3.17Å; A14-L17 VanDerWaalsContact O-N 3.08Å; R15-L17 PolarHBondContact O-N 3.44Å; L17-S19 VanDerWaalsContact C-N 3.31Å; L17-S19 PolarHBondContact O-N 2.62Å; L17-D20 PolarHBondContact O-N 2.98Å; L17-D21 CarbonylContact O-C 3.51Å; L17-D21 WeakPolarHBondContact O-CA 3.49Å; L17-D21 PolarHBondContact O-N 3.02Å; L17-D21 VanDerWaalsContact O-O 3.05Å; L17-A24 HydrophobicContact CD1-CB 4.19Å; L17-A25 HydrophobicContact CB-CB 4.01Å; L17-W28 VanDerWaalsContact CD1-CD1 3.48Å
18V87.6Confident87.9Confident51 Ų5171.4 Ų71.431%0.30937%0.366SS..THydrogen-bonded Turntrans-60.5-38.5-173.8174.50000112.6A14 R15 A25 I49A14-V18 WeakPolarHBondContact O-CG2 3.42Å; A14-V18 PolarHBondContact O-N 3.48Å; R15-V18 PolarHBondContact O-N 2.88Å; V18-A25 HydrophobicContact CG2-CB 4.01Å; V18-I49 HydrophobicContact CG1-CG1 4.38Å; V18-I49 HydrophobicContact CG2-CD1 3.52Å; V18-I49 HydrophobicContact CG2-CG1 3.79Å
19S83.9Confident88.1Confident99 Ų9966.2 Ų66.269%0.69234%0.342SS*.THydrogen-bonded Turntrans-77.5-32.9179.453.60000113.2L17L17-S19 VanDerWaalsContact C-N 3.31Å; L17-S19 PolarHBondContact O-N 2.62Å
20D87.1Confident88.2Confident131 Ų13165 Ų6570%0.70134%0.339SS*.THydrogen-bonded Turntrans-99.2-41.5-165.7-62.2-0.8000111.7L17L17-D20 PolarHBondContact O-N 2.98Å
21D89.3Confident88.3Confident73 Ų7367.7 Ų67.739%0.3936%0.357SS..  trans-144.988.1175.7-173.2-14000111L17 C23 A24 A25L17-D21 CarbonylContact O-C 3.51Å; L17-D21 WeakPolarHBondContact O-CA 3.49Å; L17-D21 PolarHBondContact O-N 3.02Å; L17-D21 VanDerWaalsContact O-O 3.05Å; D21-C23 PolarHBondContact O-N 2.9Å; D21-C23 VanDerWaalsContact O-N 3.14Å; D21-C23 WeakPolarHBondContact OD1-CA 3.3Å; D21-C23 WeakPolarHBondContact OD1-CB 3.42Å; D21-C23 PolarHBondContact OD1-N 3.03Å; D21-A24 HydrophobicContact CB-CB 3.89Å; D21-A24 VanDerWaalsContact CG-CB 3.42Å; D21-A24 PolarHBondContact O-N 3.39Å; D21-A24 PolarHBondContact OD1-N 3.38Å; D21-A24 WeakPolarHBondContact OD2-CB 3.43Å; D21-A25 PolarHBondContact O-N 3.38Å
22P85.1Confident88.4Confident60 Ų6067.3 Ų67.339%0.3936%0.355SS..Hα-helixtrans-59.1-25177.5-23.231.5000113.9K26P22-K26 VanDerWaalsContact O-CG 3.26Å; P22-K26 WeakPolarHBondContact O-CG 3.48Å; P22-K26 PolarHBondContact O-N 2.97Å
23C85.9Confident88.4Confident98 Ų9864.6 Ų64.666%0.66234%0.341SS*.Hα-helixtrans-76.7-43.1179.1-65.40000110.6D21 K26 A27D21-C23 PolarHBondContact O-N 2.9Å; D21-C23 VanDerWaalsContact O-N 3.14Å; D21-C23 WeakPolarHBondContact OD1-CA 3.3Å; D21-C23 WeakPolarHBondContact OD1-CB 3.42Å; D21-C23 PolarHBondContact OD1-N 3.03Å; C23-K26 PolarHBondContact O-N 3.3Å; C23-A27 PolarHBondContact O-N 2.86Å
24A89.4Confident88.5Confident26 Ų2664.4 Ų64.422%0.21535%0.352CS..Hα-helixtrans-63.3-43.8173.300000111.7L17 D21 K26 A27 W28L17-A24 HydrophobicContact CD1-CB 4.19Å; D21-A24 HydrophobicContact CB-CB 3.89Å; D21-A24 VanDerWaalsContact CG-CB 3.42Å; D21-A24 PolarHBondContact O-N 3.39Å; D21-A24 PolarHBondContact OD1-N 3.38Å; D21-A24 WeakPolarHBondContact OD2-CB 3.43Å; A24-K26 VanDerWaalsContact C-N 3.29Å; A24-K26 PolarHBondContact O-N 3.13Å; A24-A27 WeakPolarHBondContact O-CB 3.46Å; A24-A27 PolarHBondContact O-N 3.18Å; A24-A27 VanDerWaalsContact O-N 3.12Å; A24-W28 PolarHBondContact O-N 2.93Å
25A88.4Confident88.5Confident0 Ų069.4 Ų69.40%038%0.378CS..Hα-helixtrans-56.2-43.4175.700000112.1A14 L17 V18 D21 W28 L29A14-A25 WeakPolarHBondContact O-CB 3.46Å; L17-A25 HydrophobicContact CB-CB 4.01Å; V18-A25 HydrophobicContact CG2-CB 4.01Å; D21-A25 PolarHBondContact O-N 3.38Å; A25-W28 PolarHBondContact O-N 3.37Å; A25-L29 PolarHBondContact O-N 3.48Å
26K86.3Confident88.6Confident53 Ų5365.9 Ų65.923%0.2337%0.365CS..Hα-helixtrans-65.5-42.2174.3-74.9179-174.4-144.70112.9P22 C23 A24 W28 L29 I30 E50P22-K26 VanDerWaalsContact O-CG 3.26Å; P22-K26 WeakPolarHBondContact O-CG 3.48Å; P22-K26 PolarHBondContact O-N 2.97Å; C23-K26 PolarHBondContact O-N 3.3Å; A24-K26 VanDerWaalsContact C-N 3.29Å; A24-K26 PolarHBondContact O-N 3.13Å; K26-W28 VanDerWaalsContact C-N 3.32Å; K26-W28 PolarHBondContact O-N 3.09Å; K26-L29 PolarHBondContact O-N 3.34Å; K26-I30 WeakPolarHBondContact O-CB 3.34Å; K26-I30 VanDerWaalsContact O-CG1 3.26Å; K26-I30 WeakPolarHBondContact O-CG1 3.37Å; K26-I30 PolarHBondContact O-N 3.06Å; K26-E50 WeakPolarHBondContact CE-OE1 3.34Å; K26-E50 IonicContact NZ-OE1 2.76Å; K26-E50 PolarHBondContact NZ-OE1 2.88Å; K26-E50 IonicContact NZ-OE2 3.33Å; K26-E50 PolarHBondContact NZ-OE2 3.33Å
27A89Confident88.3Confident52 Ų5265.2 Ų65.243%0.4337%0.369SS..Hα-helixtrans-59.2-45.417800000110.8C23 A24 L29 I30 T31C23-A27 PolarHBondContact O-N 2.86Å; A24-A27 WeakPolarHBondContact O-CB 3.46Å; A24-A27 PolarHBondContact O-N 3.18Å; A24-A27 VanDerWaalsContact O-N 3.12Å; A27-L29 PolarHBondContact O-N 3.3Å; A27-I30 PolarHBondContact O-N 3.48Å; A27-T31 PolarHBondContact O-N 3.44Å; A27-T31 PolarHBondContact O-OG1 3.41Å; A27-T31 VanDerWaalsContact O-OG1 3.08Å
28W90.9Very high88.3Confident100 Ų10068.5 Ų68.538%0.37939%0.391SS..Hα-helixtrans-55.9-46.4174.1-82.8107.6000112.6L10 A14 L17 A24 A25 K26 T31 A32L10-W28 HydrophobicContact CD2-CE3 3.6Å; L10-W28 HydrophobicContact CD2-CZ3 3.58Å; A14-W28 HydrophobicContact CB-CB 4.2Å; L17-W28 VanDerWaalsContact CD1-CD1 3.48Å; A24-W28 PolarHBondContact O-N 2.93Å; A25-W28 PolarHBondContact O-N 3.37Å; K26-W28 VanDerWaalsContact C-N 3.32Å; K26-W28 PolarHBondContact O-N 3.09Å; W28-T31 PolarHBondContact O-N 3.09Å; W28-A32 WeakPolarHBondContact O-CB 3.42Å; W28-A32 PolarHBondContact O-N 3.04Å
29L90.5Very high88.4Confident3 Ų367.4 Ų67.42%0.01638%0.384CS..Hα-helixtrans-73.1-33.5-179.5-69.1172.1000113.6V11 A14 A25 K26 A27 A32 R33 E45 M46 I49V11-L29 HydrophobicContact CG2-CD2 4.48Å; A14-L29 HydrophobicContact CB-CD1 3.92Å; A14-L29 HydrophobicContact CB-CD2 3.65Å; A14-L29 HydrophobicContact CB-CG 3.48Å; A14-L29 VanDerWaalsContact CB-CG 3.48Å; A25-L29 PolarHBondContact O-N 3.48Å; K26-L29 PolarHBondContact O-N 3.34Å; A27-L29 PolarHBondContact O-N 3.3Å; L29-A32 PolarHBondContact O-N 2.92Å; L29-R33 VanDerWaalsContact O-CB 3.29Å; L29-R33 WeakPolarHBondContact O-CB 3.32Å; L29-R33 PolarHBondContact O-N 3.14Å; L29-E45 HydrophobicContact CD1-CB 4.45Å; L29-E45 HydrophobicContact CD1-CG 4.12Å; L29-E45 HydrophobicContact CD2-CB 4.18Å; L29-E45 HydrophobicContact CD2-CG 4.19Å; L29-M46 HydrophobicContact CB-CE 4.47Å; L29-M46 HydrophobicContact CB-CG 3.5Å; L29-M46 HydrophobicContact CB-SD 4.02Å; L29-M46 HydrophobicContact CD1-CG 3.78Å; L29-M46 HydrophobicContact CD2-CG 4.39Å; L29-M46 HydrophobicContact CG-CG 4.09Å; L29-I49 HydrophobicContact CD1-CD1 3.35Å
30I89.7Confident88.8Confident82 Ų8263.5 Ų63.542%0.42135%0.354SS..Hα-helixtrans-62.6-47.3172.5-70.2165.6000109.3K26 A27 A32 R33 T34 M46K26-I30 WeakPolarHBondContact O-CB 3.34Å; K26-I30 VanDerWaalsContact O-CG1 3.26Å; K26-I30 WeakPolarHBondContact O-CG1 3.37Å; K26-I30 PolarHBondContact O-N 3.06Å; A27-I30 PolarHBondContact O-N 3.48Å; I30-A32 PolarHBondContact O-N 3.44Å; I30-R33 PolarHBondContact O-N 2.85Å; I30-T34 PolarHBondContact O-N 2.99Å; I30-T34 PolarHBondContact O-OG1 3.16Å; I30-T34 VanDerWaalsContact O-OG1 3.08Å; I30-M46 HydrophobicContact CG1-CE 4.12Å
31T90.1Very high88.9Confident74 Ų7460.8 Ų60.845%0.45434%0.34SS..Hα-helixtrans-59-46.6174.9-59.40000111.2A27 W28 R33 T34 L35A27-T31 PolarHBondContact O-N 3.44Å; A27-T31 PolarHBondContact O-OG1 3.41Å; A27-T31 VanDerWaalsContact O-OG1 3.08Å; W28-T31 PolarHBondContact O-N 3.09Å; T31-R33 PolarHBondContact O-N 3.06Å; T31-T34 PolarHBondContact O-N 3.41Å; T31-L35 HydrophobicContact CG2-CD1 4.11Å; T31-L35 WeakPolarHBondContact O-CG 3.47Å; T31-L35 PolarHBondContact O-N 2.61Å
32A90.8Very high89Confident0 Ų057.3 Ų57.30%032%0.321CS..Hα-helixtrans-60-44.3178.100000112.2L10 W28 L29 I30 T34 L35 Y36 I42L10-A32 HydrophobicContact CB-CB 3.86Å; L10-A32 HydrophobicContact CD1-CB 3.77Å; L10-A32 HydrophobicContact CG-CB 4.36Å; W28-A32 WeakPolarHBondContact O-CB 3.42Å; W28-A32 PolarHBondContact O-N 3.04Å; L29-A32 PolarHBondContact O-N 2.92Å; I30-A32 PolarHBondContact O-N 3.44Å; A32-T34 VanDerWaalsContact C-N 3.33Å; A32-T34 PolarHBondContact O-N 2.88Å; A32-L35 PolarHBondContact O-N 3.27Å; A32-Y36 PolarHBondContact O-N 2.9Å; A32-I42 HydrophobicContact CB-CD1 3.81Å; A32-I42 HydrophobicContact CB-CG1 4.14Å; A32-I42 HydrophobicContact CB-CG2 3.91Å
33R90.4Very high89.3Confident68 Ų6855 Ų5526%0.25731%0.305SS..Hα-helixtrans-65.8-34.8177.7-174.617865.1171.61.5112.3L29 I30 T31 Y36 P37 I42 M46L29-R33 VanDerWaalsContact O-CB 3.29Å; L29-R33 WeakPolarHBondContact O-CB 3.32Å; L29-R33 PolarHBondContact O-N 3.14Å; I30-R33 PolarHBondContact O-N 2.85Å; T31-R33 PolarHBondContact O-N 3.06Å; R33-Y36 CarbonylContact O-C 3.5Å; R33-P37 WeakPolarHBondContact O-CA 3.41Å; R33-P37 WeakPolarHBondContact O-CB 3.26Å; R33-P37 VanDerWaalsContact O-N 3.14Å; R33-I42 HydrophobicContact CB-CG2 3.98Å; R33-M46 HydrophobicContact CB-SD 3.93Å; R33-M46 HydrophobicContact CG-SD 4.34Å
34T89.6Confident89.6Confident107 Ų10752.8 Ų52.866%0.65628%0.283SS*.Hα-helixtrans-66.9-38.6174.7-62.40000111.7I30 T31 A32I30-T34 PolarHBondContact O-N 2.99Å; I30-T34 PolarHBondContact O-OG1 3.16Å; I30-T34 VanDerWaalsContact O-OG1 3.08Å; T31-T34 PolarHBondContact O-N 3.41Å; A32-T34 VanDerWaalsContact C-N 3.33Å; A32-T34 PolarHBondContact O-N 2.88Å
35L89.1Confident89.8Confident105 Ų10552.2 Ų52.255%0.5528%0.276SS..Hα-helixtrans-76.2-35.6178.9-65.7173.1000112.6T31 A32T31-L35 HydrophobicContact CG2-CD1 4.11Å; T31-L35 WeakPolarHBondContact O-CG 3.47Å; T31-L35 PolarHBondContact O-N 2.61Å; A32-L35 PolarHBondContact O-N 3.27Å
36Y89.6Confident90Very high62 Ų6253.2 Ų53.224%0.24328%0.281CS..  trans-134.467.8-173.9-51.4-74.3000111.4A3 D6 C7 L10 A32 R33 T38 D39 I42A3-Y36 HydrophobicContact CB-CE1 3.95Å; D6-Y36 HydrophobicContact CB-CE2 4.45Å; D6-Y36 WeakPolarHBondContact CB-OH 3.38Å; C7-Y36 VanDerWaalsContact SG-CG 3.52Å; L10-Y36 HydrophobicContact CD1-CD2 4.3Å; L10-Y36 HydrophobicContact CD1-CE2 3.94Å; A32-Y36 PolarHBondContact O-N 2.9Å; R33-Y36 CarbonylContact O-C 3.5Å; Y36-T38 PolarHBondContact O-N 2.73Å; Y36-D39 PolarHBondContact O-N 3.43Å; Y36-I42 HydrophobicContact CD2-CD1 4.1Å; Y36-I42 HydrophobicContact CG-CD1 4.4Å
37P84.4Confident90.3Very high75 Ų7550.7 Ų50.749%0.48727%0.27SS..THydrogen-bonded Turntrans-66.4-23.2-171.625-34.7000114.5R33 Q43R33-P37 WeakPolarHBondContact O-CA 3.41Å; R33-P37 WeakPolarHBondContact O-CB 3.26Å; R33-P37 VanDerWaalsContact O-N 3.14Å; P37-Q43 PolarHBondContact O-NE2 3.1Å
38T87.1Confident90.5Very high119 Ų11949.2 Ų49.273%0.7326%0.255SS*.THydrogen-bonded Turntrans-94.85.5-179.660.80000113.2Y36 F70Y36-T38 PolarHBondContact O-N 2.73Å; T38-F70 VanDerWaalsContact O-CE1 3.24Å; T38-F70 WeakPolarHBondContact O-CE1 3.43Å; T38-F70 WeakPolarHBondContact O-CZ 3.18Å
39D90.8Very high90.4Very high29 Ų2945.2 Ų45.216%0.15524%0.24CC..  trans-84.2120.2177.5-173.2-84.8000110.8Y36 N41 I42 Q43Y36-D39 PolarHBondContact O-N 3.43Å; D39-N41 WeakPolarHBondContact OD1-CA 3.28Å; D39-N41 WeakPolarHBondContact OD1-CB 3.39Å; D39-N41 PolarHBondContact OD1-N 3.11Å; D39-I42 HydrophobicContact CB-CB 4.47Å; D39-I42 HydrophobicContact CB-CD1 3.95Å; D39-I42 HydrophobicContact CB-CG1 4.37Å; D39-I42 PolarHBondContact OD1-N 3.47Å; D39-Q43 WeakPolarHBondContact O-CG 3.34Å; D39-Q43 PolarHBondContact O-N 2.74Å
40F90.9Very high90.5Very high16 Ų1646 Ų467%0.0724%0.244CC..Hα-helixtrans-66.4-37.9-179173.6-104.9000112.7I42 Q43 Y44 M66 F70 Q73 I75 V76F40-I42 VanDerWaalsContact C-N 3.34Å; F40-I42 PolarHBondContact O-N 3.09Å; F40-Q43 PolarHBondContact O-N 3.46Å; F40-Y44 HydrophobicContact CE1-CG 4.27Å; F40-Y44 HydrophobicContact CZ-CD2 4.17Å; F40-Y44 HydrophobicContact CZ-CG 4.08Å; F40-Y44 VanDerWaalsContact O-CB 3.27Å; F40-Y44 WeakPolarHBondContact O-CB 3.22Å; F40-Y44 PolarHBondContact O-N 3.06Å; F40-M66 HydrophobicContact CE2-SD 4.17Å; F40-F70 HydrophobicContact CB-CD1 3.94Å; F40-F70 HydrophobicContact CB-CE1 4.02Å; F40-F70 HydrophobicContact CB-CG 4.37Å; F40-F70 HydrophobicContact CD2-CB 3.83Å; F40-F70 HydrophobicContact CD2-CD1 4.2Å; F40-F70 HydrophobicContact CD2-CD2 4.12Å; F40-F70 AromaticContact CD2-CG 3.79Å; F40-F70 HydrophobicContact CD2-CG 3.79Å; F40-F70 HydrophobicContact CE2-CB 4.35Å; F40-Q73 HydrophobicContact CD1-CG 4.11Å; F40-Q73 HydrophobicContact CD2-CB 4.26Å; F40-Q73 HydrophobicContact CD2-CG 3.74Å; F40-Q73 HydrophobicContact CE1-CB 4.32Å; F40-Q73 HydrophobicContact CE1-CG 4.25Å; F40-Q73 HydrophobicContact CE2-CB 3.87Å; F40-Q73 HydrophobicContact CE2-CG 3.88Å; F40-Q73 HydrophobicContact CG-CG 3.85Å; F40-Q73 HydrophobicContact CZ-CB 3.9Å; F40-Q73 HydrophobicContact CZ-CG 4.14Å; F40-I75 HydrophobicContact CE1-CB 4.46Å; F40-I75 HydrophobicContact CE1-CD1 4.22Å; F40-I75 HydrophobicContact CZ-CB 4.14Å; F40-I75 HydrophobicContact CZ-CG2 4.31Å; F40-V76 HydrophobicContact CE2-CG2 3.61Å; F40-V76 HydrophobicContact CZ-CG2 4.05Å
41N90.6Very high90.6Very high75 Ų7544.8 Ų44.840%0.40123%0.234SC..Hα-helixtrans-66.9-37.7-173.9-65.7-47.4000111.5D39 E45D39-N41 WeakPolarHBondContact OD1-CA 3.28Å; D39-N41 WeakPolarHBondContact OD1-CB 3.39Å; D39-N41 PolarHBondContact OD1-N 3.11Å; N41-E45 WeakPolarHBondContact O-CB 3.41Å; N41-E45 PolarHBondContact O-N 3.4Å
42I91.3Very high90.6Very high0 Ų046.4 Ų46.40%024%0.24CC..Hα-helixtrans-64.2-47.8174.8-68.1166.5000110.8C7 V11 A32 R33 Y36 D39 F40 E45 M46C7-I42 HydrophobicContact CB-CD1 4.02Å; V11-I42 HydrophobicContact CG2-CB 4.46Å; V11-I42 HydrophobicContact CG2-CG1 3.7Å; A32-I42 HydrophobicContact CB-CD1 3.81Å; A32-I42 HydrophobicContact CB-CG1 4.14Å; A32-I42 HydrophobicContact CB-CG2 3.91Å; R33-I42 HydrophobicContact CB-CG2 3.98Å; Y36-I42 HydrophobicContact CD2-CD1 4.1Å; Y36-I42 HydrophobicContact CG-CD1 4.4Å; D39-I42 HydrophobicContact CB-CB 4.47Å; D39-I42 HydrophobicContact CB-CD1 3.95Å; D39-I42 HydrophobicContact CB-CG1 4.37Å; D39-I42 PolarHBondContact OD1-N 3.47Å; F40-I42 VanDerWaalsContact C-N 3.34Å; F40-I42 PolarHBondContact O-N 3.09Å; I42-E45 PolarHBondContact O-N 3.41Å; I42-M46 HydrophobicContact CG2-SD 4.49Å; I42-M46 WeakPolarHBondContact O-CG 3.1Å; I42-M46 PolarHBondContact O-N 3.34Å
43Q90.9Very high90.5Very high12 Ų1248.6 Ų48.66%0.05626%0.258CS..Hα-helixtrans-64.9-41.7-179.7-62.9-78.116.700111.8P37 D39 F40 M46 Y47 M66 F70P37-Q43 PolarHBondContact O-NE2 3.1Å; D39-Q43 WeakPolarHBondContact O-CG 3.34Å; D39-Q43 PolarHBondContact O-N 2.74Å; F40-Q43 PolarHBondContact O-N 3.46Å; Q43-M46 PolarHBondContact O-N 3.46Å; Q43-Y47 PolarHBondContact O-N 2.97Å; Q43-M66 HydrophobicContact CB-CG 4.37Å; Q43-F70 HydrophobicContact CG-CE2 4.12Å
44Y92.8Very high90.5Very high51 Ų5151.6 Ų51.620%0.228%0.275CS..Hα-helixtrans-65.2-40.8176.6-178.9-115000111.8F40 M46 Y47 I48 M66 I75F40-Y44 HydrophobicContact CE1-CG 4.27Å; F40-Y44 HydrophobicContact CZ-CD2 4.17Å; F40-Y44 HydrophobicContact CZ-CG 4.08Å; F40-Y44 VanDerWaalsContact O-CB 3.27Å; F40-Y44 WeakPolarHBondContact O-CB 3.22Å; F40-Y44 PolarHBondContact O-N 3.06Å; Y44-M46 PolarHBondContact O-N 3.37Å; Y44-Y47 HydrophobicContact CD2-CD1 4.22Å; Y44-Y47 HydrophobicContact CE2-CD1 4.22Å; Y44-Y47 WeakPolarHBondContact O-CB 3.5Å; Y44-Y47 PolarHBondContact O-N 2.96Å; Y44-I48 HydrophobicContact CD1-CG1 4.31Å; Y44-I48 HydrophobicContact CD2-CG1 4.26Å; Y44-I48 HydrophobicContact CE1-CD1 4.33Å; Y44-I48 HydrophobicContact CE1-CG1 3.91Å; Y44-I48 HydrophobicContact CE2-CD1 3.78Å; Y44-I48 HydrophobicContact CE2-CG1 3.83Å; Y44-I48 HydrophobicContact CG-CG1 4.48Å; Y44-I48 WeakPolarHBondContact O-CG1 3.4Å; Y44-I48 PolarHBondContact O-N 2.89Å; Y44-M66 HydrophobicContact CD2-SD 3.98Å; Y44-I75 HydrophobicContact CD2-CG2 3.83Å; Y44-I75 HydrophobicContact CE1-CG2 4.04Å; Y44-I75 HydrophobicContact CE2-CG2 3.2Å; Y44-I75 HydrophobicContact CG-CG2 4.48Å; Y44-I75 WeakPolarHBondContact OH-CG2 3.39Å
45E92.4Very high90.6Very high14 Ų1451.4 Ų51.47%0.06526%0.262CS..Hα-helixtrans-63.4-42.7176.2-165.865-158.800112V11 R15 L29 N41 I42 Y47 I48 I49V11-E45 HydrophobicContact CG1-CB 4.14Å; V11-E45 HydrophobicContact CG1-CG 3.96Å; R15-E45 HydrophobicContact CG-CG 4.42Å; R15-E45 WeakPolarHBondContact CG-OE1 3.34Å; R15-E45 IonicContact CZ-OE2 2.89Å; R15-E45 IonicContact NE-OE1 2.66Å; R15-E45 PolarHBondContact NE-OE1 2.97Å; R15-E45 IonicContact NE-OE2 3.66Å; R15-E45 PolarHBondContact NE-OE2 3.25Å; R15-E45 IonicContact NH2-OE2 3.18Å; R15-E45 PolarHBondContact NH2-OE2 2.94Å; L29-E45 HydrophobicContact CD1-CB 4.45Å; L29-E45 HydrophobicContact CD1-CG 4.12Å; L29-E45 HydrophobicContact CD2-CB 4.18Å; L29-E45 HydrophobicContact CD2-CG 4.19Å; N41-E45 WeakPolarHBondContact O-CB 3.41Å; N41-E45 PolarHBondContact O-N 3.4Å; I42-E45 PolarHBondContact O-N 3.41Å; E45-Y47 VanDerWaalsContact C-N 3.28Å; E45-Y47 PolarHBondContact O-N 3.03Å; E45-I48 PolarHBondContact O-N 3.39Å; E45-I49 HydrophobicContact CG-CD1 4.25Å; E45-I49 WeakPolarHBondContact O-CG1 3.16Å; E45-I49 PolarHBondContact O-N 3.05Å; E45-I49 VanDerWaalsContact O-N 3.09Å
46M92.4Very high90.8Very high20 Ų2048.7 Ų48.710%0.09925%0.251CS..Hα-helixtrans-57.4-44.3173.4-70.6-177.877.400111.3L29 I30 R33 I42 Q43 Y44 E50 L62L29-M46 HydrophobicContact CB-CE 4.47Å; L29-M46 HydrophobicContact CB-CG 3.5Å; L29-M46 HydrophobicContact CB-SD 4.02Å; L29-M46 HydrophobicContact CD1-CG 3.78Å; L29-M46 HydrophobicContact CD2-CG 4.39Å; L29-M46 HydrophobicContact CG-CG 4.09Å; I30-M46 HydrophobicContact CG1-CE 4.12Å; R33-M46 HydrophobicContact CB-SD 3.93Å; R33-M46 HydrophobicContact CG-SD 4.34Å; I42-M46 HydrophobicContact CG2-SD 4.49Å; I42-M46 WeakPolarHBondContact O-CG 3.1Å; I42-M46 PolarHBondContact O-N 3.34Å; Q43-M46 PolarHBondContact O-N 3.46Å; Y44-M46 PolarHBondContact O-N 3.37Å; M46-E50 WeakPolarHBondContact O-CG 3.48Å; M46-E50 PolarHBondContact O-N 2.83Å; M46-L62 HydrophobicContact CB-CD1 3.84Å; M46-L62 HydrophobicContact CB-CD2 4.02Å; M46-L62 HydrophobicContact CE-CD2 4.48Å
47Y93.9Very high90.9Very high0 Ų049 Ų490%027%0.266CS..Hα-helixtrans-61.8-47.1178166.2-102.5000111.7Q43 Y44 E45 I49 E50 R51 A59 L62 L63 M66 E79 L102Q43-Y47 PolarHBondContact O-N 2.97Å; Y44-Y47 HydrophobicContact CD2-CD1 4.22Å; Y44-Y47 HydrophobicContact CE2-CD1 4.22Å; Y44-Y47 WeakPolarHBondContact O-CB 3.5Å; Y44-Y47 PolarHBondContact O-N 2.96Å; E45-Y47 VanDerWaalsContact C-N 3.28Å; E45-Y47 PolarHBondContact O-N 3.03Å; Y47-I49 VanDerWaalsContact C-N 3.35Å; Y47-I49 PolarHBondContact O-N 3.24Å; Y47-E50 PolarHBondContact O-N 3.02Å; Y47-R51 HydrophobicContact CE2-CB 4.46Å; Y47-R51 WeakPolarHBondContact O-CB 3.46Å; Y47-R51 PolarHBondContact O-N 3.33Å; Y47-A59 HydrophobicContact CD2-CB 4.4Å; Y47-A59 HydrophobicContact CE2-CB 4.4Å; Y47-L62 HydrophobicContact CD2-CB 4.4Å; Y47-L63 HydrophobicContact CD2-CB 4.28Å; Y47-L63 HydrophobicContact CE2-CB 4Å; Y47-L63 HydrophobicContact CE2-CD1 4.34Å; Y47-M66 HydrophobicContact CD1-CE 3.54Å; Y47-M66 HydrophobicContact CD2-CE 3.66Å; Y47-M66 HydrophobicContact CE1-CE 4.09Å; Y47-M66 HydrophobicContact CE2-CE 4.21Å; Y47-M66 HydrophobicContact CG-CE 3.28Å; Y47-M66 HydrophobicContact CG-SD 4.35Å; Y47-E79 HydrophobicContact CE1-CG 3.88Å; Y47-E79 VanDerWaalsContact CE1-OE2 3.32Å; Y47-E79 WeakPolarHBondContact CE1-OE2 3.32Å; Y47-E79 PolarHBondContact OH-OE2 2.72Å; Y47-L102 HydrophobicContact CE2-CD2 4.36Å
48I91.9Very high91.2Very high22 Ų2247.9 Ų47.911%0.11326%0.26CS..Hα-helixtrans-61.6-42.1-178.3-68.5-66.7000111.7Y44 E45 R51 N52Y44-I48 HydrophobicContact CD1-CG1 4.31Å; Y44-I48 HydrophobicContact CD2-CG1 4.26Å; Y44-I48 HydrophobicContact CE1-CD1 4.33Å; Y44-I48 HydrophobicContact CE1-CG1 3.91Å; Y44-I48 HydrophobicContact CE2-CD1 3.78Å; Y44-I48 HydrophobicContact CE2-CG1 3.83Å; Y44-I48 HydrophobicContact CG-CG1 4.48Å; Y44-I48 WeakPolarHBondContact O-CG1 3.4Å; Y44-I48 PolarHBondContact O-N 2.89Å; E45-I48 PolarHBondContact O-N 3.39Å; I48-R51 VanDerWaalsContact CD1-NH2 3.3Å; I48-R51 PolarHBondContact O-N 3.33Å; I48-N52 WeakPolarHBondContact CG2-ND2 3.26Å; I48-N52 VanDerWaalsContact O-CB 3.31Å; I48-N52 WeakPolarHBondContact O-CB 3.43Å; I48-N52 PolarHBondContact O-N 3.49Å; I48-N52 PolarHBondContact O-ND2 2.79Å; I48-N52 PolarHBondContact O-OD1 2.74Å
49I89.9Confident91.6Very high15 Ų1542.2 Ų42.28%0.07723%0.225CC..Hα-helixtrans-63.2-46.1177.5-70.4166.1000111V18 L29 E45 Y47 A53V18-I49 HydrophobicContact CG1-CG1 4.38Å; V18-I49 HydrophobicContact CG2-CD1 3.52Å; V18-I49 HydrophobicContact CG2-CG1 3.79Å; L29-I49 HydrophobicContact CD1-CD1 3.35Å; E45-I49 HydrophobicContact CG-CD1 4.25Å; E45-I49 WeakPolarHBondContact O-CG1 3.16Å; E45-I49 PolarHBondContact O-N 3.05Å; E45-I49 VanDerWaalsContact O-N 3.09Å; Y47-I49 VanDerWaalsContact C-N 3.35Å; Y47-I49 PolarHBondContact O-N 3.24Å; I49-A53 VanDerWaalsContact O-CB 3.28Å; I49-A53 WeakPolarHBondContact O-CB 3.37Å; I49-A53 PolarHBondContact O-N 3.01Å
50E91Very high91.8Very high21 Ų2140.9 Ų40.910%0.09822%0.218CC..Hα-helixtrans-70-34.9179.5-64-62.2174.400112.5K26 M46 Y47 A53 E54 R55 A59 L62K26-E50 WeakPolarHBondContact CE-OE1 3.34Å; K26-E50 IonicContact NZ-OE1 2.76Å; K26-E50 PolarHBondContact NZ-OE1 2.88Å; K26-E50 IonicContact NZ-OE2 3.33Å; K26-E50 PolarHBondContact NZ-OE2 3.33Å; M46-E50 WeakPolarHBondContact O-CG 3.48Å; M46-E50 PolarHBondContact O-N 2.83Å; Y47-E50 PolarHBondContact O-N 3.02Å; E50-A53 CarbonylContact O-C 3.41Å; E50-A53 PolarHBondContact O-N 2.74Å; E50-E54 PolarHBondContact O-N 3.14Å; E50-R55 PolarHBondContact O-N 3.28Å; E50-R55 IonicContact OE1-NH1 3.93Å; E50-R55 VanDerWaalsContact OE2-CD 3.28Å; E50-R55 WeakPolarHBondContact OE2-CD 3.44Å; E50-R55 IonicContact OE2-CZ 2.86Å; E50-R55 IonicContact OE2-NE 2.8Å; E50-R55 IonicContact OE2-NH1 3.67Å; E50-R55 PolarHBondContact OE2-NH1 2.92Å; E50-A59 HydrophobicContact CB-CB 4.03Å; E50-L62 HydrophobicContact CB-CD1 4.39Å; E50-L62 HydrophobicContact CG-CD1 3.92Å
51R91.9Very high91.9Very high55 Ų5548.3 Ų48.321%0.20825%0.246CC..Hα-helixtrans-64.2-49175.2-173-16770.7179.4-0.3111.3Y47 I48 A53 E54 E79 F98Y47-R51 HydrophobicContact CE2-CB 4.46Å; Y47-R51 WeakPolarHBondContact O-CB 3.46Å; Y47-R51 PolarHBondContact O-N 3.33Å; I48-R51 VanDerWaalsContact CD1-NH2 3.3Å; I48-R51 PolarHBondContact O-N 3.33Å; R51-A53 PolarHBondContact O-N 2.99Å; R51-E54 WeakPolarHBondContact O-CA 3.43Å; R51-E54 PolarHBondContact O-N 3.24Å; R51-E79 IonicContact CZ-OE1 3.85Å; R51-E79 IonicContact CZ-OE2 3.27Å; R51-E79 IonicContact NH1-OE1 3.12Å; R51-E79 PolarHBondContact NH1-OE1 3.39Å; R51-E79 IonicContact NH1-OE2 3Å; R51-E79 PolarHBondContact NH1-OE2 3.19Å; R51-F98 HydrophobicContact CG-CE1 3.74Å; R51-F98 HydrophobicContact CG-CZ 3.98Å
52N90Very high92.1Very high109 Ų10945.3 Ų45.358%0.58323%0.229SC*.Hα-helixtrans-69.1-24.4179.8-65-9.5000112.1I48 E54I48-N52 WeakPolarHBondContact CG2-ND2 3.26Å; I48-N52 VanDerWaalsContact O-CB 3.31Å; I48-N52 WeakPolarHBondContact O-CB 3.43Å; I48-N52 PolarHBondContact O-N 3.49Å; I48-N52 PolarHBondContact O-ND2 2.79Å; I48-N52 PolarHBondContact O-OD1 2.74Å; N52-E54 PolarHBondContact O-N 3.07Å
53A89.1Confident92.3Very high46 Ų4645.3 Ų45.338%0.3823%0.229SC..THydrogen-bonded Turntrans-83.16.7170.400000113.5I49 E50 R51 R55I49-A53 VanDerWaalsContact O-CB 3.28Å; I49-A53 WeakPolarHBondContact O-CB 3.37Å; I49-A53 PolarHBondContact O-N 3.01Å; E50-A53 CarbonylContact O-C 3.41Å; E50-A53 PolarHBondContact O-N 2.74Å; R51-A53 PolarHBondContact O-N 2.99Å; A53-R55 HydrophobicContact CB-CG 4.14Å; A53-R55 WeakPolarHBondContact O-CG 3.16Å; A53-R55 PolarHBondContact O-N 2.82Å; A53-R55 VanDerWaalsContact O-N 3.13Å
54E90.4Very high92.4Very high130 Ų13048.7 Ų48.761%0.60724%0.242SC*.THydrogen-bonded Turntrans54.928.5179.6-58.6-176.8169.900114.1E50 R51 N52 T56 F98E50-E54 PolarHBondContact O-N 3.14Å; R51-E54 WeakPolarHBondContact O-CA 3.43Å; R51-E54 PolarHBondContact O-N 3.24Å; N52-E54 PolarHBondContact O-N 3.07Å; E54-T56 PolarHBondContact O-N 2.86Å; E54-F98 HydrophobicContact CB-CD2 4.09Å; E54-F98 HydrophobicContact CB-CE2 4.24Å; E54-F98 HydrophobicContact CG-CD2 4.49Å
55R91.4Very high92.4Very high103 Ų10347.8 Ų47.839%0.38924%0.241SC..  trans-89.686.8-179.9-60.6-155.7-168.692.81.4111.7E50 A53 A57 S58 A59E50-R55 PolarHBondContact O-N 3.28Å; E50-R55 IonicContact OE1-NH1 3.93Å; E50-R55 VanDerWaalsContact OE2-CD 3.28Å; E50-R55 WeakPolarHBondContact OE2-CD 3.44Å; E50-R55 IonicContact OE2-CZ 2.86Å; E50-R55 IonicContact OE2-NE 2.8Å; E50-R55 IonicContact OE2-NH1 3.67Å; E50-R55 PolarHBondContact OE2-NH1 2.92Å; A53-R55 HydrophobicContact CB-CG 4.14Å; A53-R55 WeakPolarHBondContact O-CG 3.16Å; A53-R55 PolarHBondContact O-N 2.82Å; A53-R55 VanDerWaalsContact O-N 3.13Å; R55-A57 PolarHBondContact O-N 2.91Å; R55-S58 PolarHBondContact O-N 2.85Å; R55-A59 VanDerWaalsContact O-CB 3.25Å; R55-A59 WeakPolarHBondContact O-CB 3.47Å; R55-A59 PolarHBondContact O-N 3.41Å
56T93.5Very high92.5Very high49 Ų4947.1 Ų47.130%0.30124%0.238SC..Hα-helixtrans-53.1-47.7-174.953.70000114.2E54 G60 F98 A101E54-T56 PolarHBondContact O-N 2.86Å; T56-G60 WeakPolarHBondContact O-CA 3.32Å; T56-G60 PolarHBondContact O-N 2.89Å; T56-F98 HydrophobicContact CG2-CD2 3.68Å; T56-F98 HydrophobicContact CG2-CE2 3.69Å; T56-A101 HydrophobicContact CG2-CB 3.84Å
57A92.5Very high92.6Very high69 Ų6946.3 Ų46.357%0.5723%0.234SC*.Hα-helixtrans-65.5-43.5-177.400000113.4R55 R61R55-A57 PolarHBondContact O-N 2.91Å; A57-R61 PolarHBondContact O-N 3.2Å
58S91.3Very high92.5Very high51 Ų5149.6 Ų49.636%0.35725%0.251SS..Hα-helixtrans-72.8-45.4-179.7-58.10000111.4R55 G60 R61 L62R55-S58 PolarHBondContact O-N 2.85Å; S58-G60 VanDerWaalsContact C-N 3.3Å; S58-G60 PolarHBondContact O-N 3.47Å; S58-R61 PolarHBondContact O-N 3.47Å; S58-L62 WeakPolarHBondContact O-CG 3.44Å; S58-L62 PolarHBondContact O-N 3.31Å
59A94.3Very high92.5Very high0 Ų053.2 Ų53.20%027%0.27CS..Hα-helixtrans-62.6-38.4175.700000111.5Y47 E50 R55 L62 L63 L102Y47-A59 HydrophobicContact CD2-CB 4.4Å; Y47-A59 HydrophobicContact CE2-CB 4.4Å; E50-A59 HydrophobicContact CB-CB 4.03Å; R55-A59 VanDerWaalsContact O-CB 3.25Å; R55-A59 WeakPolarHBondContact O-CB 3.47Å; R55-A59 PolarHBondContact O-N 3.41Å; A59-L62 PolarHBondContact O-N 3.34Å; A59-L63 WeakPolarHBondContact O-CB 3.43Å; A59-L63 PolarHBondContact O-N 3.38Å; A59-L102 HydrophobicContact CB-CD1 3.59Å
60G94.5Very high92.7Very high1 Ų153.9 Ų53.91%0.0127%0.273CS..Hα-helixtrans-64.8-42.9179.100000113.5T56 S58 L62 L63 Y64 L102 T105 L106T56-G60 WeakPolarHBondContact O-CA 3.32Å; T56-G60 PolarHBondContact O-N 2.89Å; S58-G60 VanDerWaalsContact C-N 3.3Å; S58-G60 PolarHBondContact O-N 3.47Å; G60-L62 VanDerWaalsContact C-N 3.34Å; G60-L62 PolarHBondContact O-N 3.26Å; G60-L63 PolarHBondContact O-N 3.2Å; G60-Y64 PolarHBondContact O-N 3.01Å; G60-L102 VanDerWaalsContact CA-CD1 3.48Å; G60-T105 VanDerWaalsContact CA-OG1 3.27Å; G60-T105 WeakPolarHBondContact CA-OG1 3.42Å; G60-L106 VanDerWaalsContact O-CD2 3.28Å; G60-L106 WeakPolarHBondContact O-CD2 3.18Å
61R94.4Very high92.5Very high172 Ų17255 Ų5565%0.64928%0.282SS*.Hα-helixtrans-61.2-42.8173.1-176178.6178.8179.83.3112A57 S58 Y64 D65A57-R61 PolarHBondContact O-N 3.2Å; S58-R61 PolarHBondContact O-N 3.47Å; R61-Y64 WeakPolarHBondContact O-CB 3.17Å; R61-Y64 PolarHBondContact O-N 2.89Å; R61-D65 PolarHBondContact O-N 3.15Å
62L93.6Very high92.4Very high11 Ų1159.6 Ų59.66%0.05831%0.311CS..Hα-helixtrans-68.5-37.2178-68.9164.4000111.6M46 Y47 E50 S58 A59 G60 D65 M66M46-L62 HydrophobicContact CB-CD1 3.84Å; M46-L62 HydrophobicContact CB-CD2 4.02Å; M46-L62 HydrophobicContact CE-CD2 4.48Å; Y47-L62 HydrophobicContact CD2-CB 4.4Å; E50-L62 HydrophobicContact CB-CD1 4.39Å; E50-L62 HydrophobicContact CG-CD1 3.92Å; S58-L62 WeakPolarHBondContact O-CG 3.44Å; S58-L62 PolarHBondContact O-N 3.31Å; A59-L62 PolarHBondContact O-N 3.34Å; G60-L62 VanDerWaalsContact C-N 3.34Å; G60-L62 PolarHBondContact O-N 3.26Å; L62-D65 PolarHBondContact O-N 3.47Å; L62-M66 WeakPolarHBondContact O-CB 3.47Å; L62-M66 VanDerWaalsContact O-CG 3.3Å; L62-M66 WeakPolarHBondContact O-CG 3.35Å; L62-M66 PolarHBondContact O-N 2.93Å
63L95.3Very high92.5Very high0 Ų057.8 Ų57.80%030%0.299CS..Hα-helixtrans-62.3-42.1172.4-179.464.2000111.6Y47 A59 G60 M66 F67 I83 L102 L106 M114Y47-L63 HydrophobicContact CD2-CB 4.28Å; Y47-L63 HydrophobicContact CE2-CB 4Å; Y47-L63 HydrophobicContact CE2-CD1 4.34Å; A59-L63 WeakPolarHBondContact O-CB 3.43Å; A59-L63 PolarHBondContact O-N 3.38Å; G60-L63 PolarHBondContact O-N 3.2Å; L63-M66 HydrophobicContact CD1-CE 4.17Å; L63-M66 PolarHBondContact O-N 3.08Å; L63-F67 WeakPolarHBondContact O-CB 3.44Å; L63-F67 PolarHBondContact O-N 3.05Å; L63-I83 HydrophobicContact CD2-CD1 3.51Å; L63-L102 HydrophobicContact CD2-CD2 4.16Å; L63-L102 HydrophobicContact CD2-CG 4.18Å; L63-L106 HydrophobicContact CD2-CD1 4.23Å; L63-M114 HydrophobicContact CG-CE 4.43Å
64Y94.9Very high92.6Very high84 Ų8459.3 Ų59.333%0.32931%0.305SS..Hα-helixtrans-57.5-52.2172.2167.5-95.9000111.4G60 R61 M66 F67 I68 P107 V110G60-Y64 PolarHBondContact O-N 3.01Å; R61-Y64 WeakPolarHBondContact O-CB 3.17Å; R61-Y64 PolarHBondContact O-N 2.89Å; Y64-M66 VanDerWaalsContact C-N 3.27Å; Y64-M66 PolarHBondContact O-N 3.45Å; Y64-F67 PolarHBondContact O-N 3.07Å; Y64-I68 HydrophobicContact CD2-CG1 4.07Å; Y64-I68 HydrophobicContact CE1-CG1 4.45Å; Y64-I68 HydrophobicContact CE2-CD1 4.2Å; Y64-I68 HydrophobicContact CE2-CG1 3.66Å; Y64-I68 WeakPolarHBondContact O-CG1 3.43Å; Y64-I68 PolarHBondContact O-N 3.03Å; Y64-P107 HydrophobicContact CD2-CG 4.49Å; Y64-V110 HydrophobicContact CD2-CB 4.35Å; Y64-V110 HydrophobicContact CD2-CG1 4.01Å; Y64-V110 HydrophobicContact CD2-CG2 3.69Å; Y64-V110 HydrophobicContact CE2-CG1 4.47Å; Y64-V110 HydrophobicContact CE2-CG2 3.46Å; Y64-V110 VanDerWaalsContact CE2-CG2 3.46Å
65D92.4Very high92.7Very high32 Ų3255.4 Ų55.417%0.17129%0.287CS..Hα-helixtrans-60.4-39.7-179.8-69.5-23.1000111.1R61 L62 N69R61-D65 PolarHBondContact O-N 3.15Å; L62-D65 PolarHBondContact O-N 3.47Å; D65-N69 VanDerWaalsContact O-CB 3.31Å; D65-N69 WeakPolarHBondContact O-CB 3.47Å; D65-N69 PolarHBondContact O-N 3.26Å; D65-N69 VanDerWaalsContact O-N 3.08Å; D65-N69 PolarHBondContact O-ND2 2.99Å
66M94.2Very high92.8Very high0 Ų050.5 Ų50.50%027%0.269CS..Hα-helixtrans-65.6-45.1176.5-75.3-167.8-54.900112.7F40 Q43 Y44 Y47 L62 L63 Y64 F70 V76F40-M66 HydrophobicContact CE2-SD 4.17Å; Q43-M66 HydrophobicContact CB-CG 4.37Å; Y44-M66 HydrophobicContact CD2-SD 3.98Å; Y47-M66 HydrophobicContact CD1-CE 3.54Å; Y47-M66 HydrophobicContact CD2-CE 3.66Å; Y47-M66 HydrophobicContact CE1-CE 4.09Å; Y47-M66 HydrophobicContact CE2-CE 4.21Å; Y47-M66 HydrophobicContact CG-CE 3.28Å; Y47-M66 HydrophobicContact CG-SD 4.35Å; L62-M66 WeakPolarHBondContact O-CB 3.47Å; L62-M66 VanDerWaalsContact O-CG 3.3Å; L62-M66 WeakPolarHBondContact O-CG 3.35Å; L62-M66 PolarHBondContact O-N 2.93Å; L63-M66 HydrophobicContact CD1-CE 4.17Å; L63-M66 PolarHBondContact O-N 3.08Å; Y64-M66 VanDerWaalsContact C-N 3.27Å; Y64-M66 PolarHBondContact O-N 3.45Å; M66-F70 CarbonylContact O-C 3.51Å; M66-F70 WeakPolarHBondContact O-CA 3.42Å; M66-F70 WeakPolarHBondContact O-CB 3.48Å; M66-F70 PolarHBondContact O-N 3.4Å; M66-V76 HydrophobicContact CB-CG2 4.23Å
67F93.9Very high92.7Very high2 Ų249.8 Ų49.81%0.00926%0.261CS..Hα-helixtrans-64.2-41.4-178.9176.1-108.3000112.6L63 Y64 W77 I80 V110 E113 M114 K117L63-F67 WeakPolarHBondContact O-CB 3.44Å; L63-F67 PolarHBondContact O-N 3.05Å; Y64-F67 PolarHBondContact O-N 3.07Å; F67-W77 AromaticContact CE2-CH2 3.94Å; F67-W77 HydrophobicContact CE2-CH2 3.94Å; F67-W77 HydrophobicContact CE2-CZ2 4.48Å; F67-I80 HydrophobicContact CD2-CD1 3.72Å; F67-I80 HydrophobicContact CE2-CD1 4.07Å; F67-V110 HydrophobicContact CD1-CG1 3.7Å; F67-V110 HydrophobicContact CE1-CG1 3.91Å; F67-E113 HydrophobicContact CE1-CB 4.43Å; F67-E113 HydrophobicContact CE1-CG 4.33Å; F67-E113 HydrophobicContact CZ-CG 4.23Å; F67-M114 HydrophobicContact CB-CE 4.18Å; F67-M114 HydrophobicContact CD1-CE 4.36Å; F67-M114 HydrophobicContact CD2-CE 4.04Å; F67-M114 HydrophobicContact CE1-CB 4.31Å; F67-M114 HydrophobicContact CE2-CB 4.1Å; F67-M114 HydrophobicContact CE2-CG 4.17Å; F67-M114 HydrophobicContact CG-CE 3.93Å; F67-M114 HydrophobicContact CZ-CB 3.87Å; F67-M114 HydrophobicContact CZ-CG 4.45Å; F67-K117 HydrophobicContact CE2-CD 4.29Å; F67-K117 HydrophobicContact CZ-CD 4.04Å
68I92.7Very high92.7Very high69 Ų6954.7 Ų54.735%0.35427%0.265SS..Hα-helixtrans-75.8-45-178.2-62.8-61.2000111.7Y64Y64-I68 HydrophobicContact CD2-CG1 4.07Å; Y64-I68 HydrophobicContact CE1-CG1 4.45Å; Y64-I68 HydrophobicContact CE2-CD1 4.2Å; Y64-I68 HydrophobicContact CE2-CG1 3.66Å; Y64-I68 WeakPolarHBondContact O-CG1 3.43Å; Y64-I68 PolarHBondContact O-N 3.03Å
69N92.2Very high92.8Very high99 Ų9953.2 Ų53.253%0.52925%0.252SS..Hα-helixtrans-92-19.7-170.3-59.4-58.1000113.6D65 P71D65-N69 VanDerWaalsContact O-CB 3.31Å; D65-N69 WeakPolarHBondContact O-CB 3.47Å; D65-N69 PolarHBondContact O-N 3.26Å; D65-N69 VanDerWaalsContact O-N 3.08Å; D65-N69 PolarHBondContact O-ND2 2.99Å; N69-P71 VanDerWaalsContact C-CD 3.47Å
70F92.4Very high92.8Very high29 Ų2953.2 Ų53.213%0.12725%0.252CS..  trans-133.852.3-174.5-52.6-80.9000113.5T38 F40 Q43 M66 D72 Q73T38-F70 VanDerWaalsContact O-CE1 3.24Å; T38-F70 WeakPolarHBondContact O-CE1 3.43Å; T38-F70 WeakPolarHBondContact O-CZ 3.18Å; F40-F70 HydrophobicContact CB-CD1 3.94Å; F40-F70 HydrophobicContact CB-CE1 4.02Å; F40-F70 HydrophobicContact CB-CG 4.37Å; F40-F70 HydrophobicContact CD2-CB 3.83Å; F40-F70 HydrophobicContact CD2-CD1 4.2Å; F40-F70 HydrophobicContact CD2-CD2 4.12Å; F40-F70 AromaticContact CD2-CG 3.79Å; F40-F70 HydrophobicContact CD2-CG 3.79Å; F40-F70 HydrophobicContact CE2-CB 4.35Å; Q43-F70 HydrophobicContact CG-CE2 4.12Å; M66-F70 CarbonylContact O-C 3.51Å; M66-F70 WeakPolarHBondContact O-CA 3.42Å; M66-F70 WeakPolarHBondContact O-CB 3.48Å; M66-F70 PolarHBondContact O-N 3.4Å; F70-D72 PolarHBondContact O-N 3.04Å; F70-Q73 HydrophobicContact CB-CB 4.48Å; F70-Q73 HydrophobicContact CB-CG 3.87Å; F70-Q73 PolarHBondContact O-N 2.87Å
71P87.6Confident92.6Very high44 Ų4456.2 Ų56.229%0.28627%0.273SS..THydrogen-bonded Turntrans-66.3-21.9-175.729.1-36.9000114N69 Q73 W77N69-P71 VanDerWaalsContact C-CD 3.47Å; P71-Q73 VanDerWaalsContact C-N 3.29Å; P71-Q73 PolarHBondContact O-N 3.14Å; P71-W77 PolarHBondContact O-NE1 3.41Å
72D89.3Confident92.5Very high152 Ų15251.2 Ų51.281%0.81326%0.261SS*.THydrogen-bonded Turntrans-83.1-5-178.9-58.4-41.6000113.2F70 P74F70-D72 PolarHBondContact O-N 3.04Å; D72-P74 WeakPolarHBondContact O-CD 3.47Å
73Q92.6Very high92.5Very high71 Ų7150.7 Ų50.733%0.33226%0.258SS..  trans-80.3119.6-176.9-67.7-65.6-18.400111F40 F70 P71 I75 V76F40-Q73 HydrophobicContact CD1-CG 4.11Å; F40-Q73 HydrophobicContact CD2-CB 4.26Å; F40-Q73 HydrophobicContact CD2-CG 3.74Å; F40-Q73 HydrophobicContact CE1-CB 4.32Å; F40-Q73 HydrophobicContact CE1-CG 4.25Å; F40-Q73 HydrophobicContact CE2-CB 3.87Å; F40-Q73 HydrophobicContact CE2-CG 3.88Å; F40-Q73 HydrophobicContact CG-CG 3.85Å; F40-Q73 HydrophobicContact CZ-CB 3.9Å; F40-Q73 HydrophobicContact CZ-CG 4.14Å; F70-Q73 HydrophobicContact CB-CB 4.48Å; F70-Q73 HydrophobicContact CB-CG 3.87Å; F70-Q73 PolarHBondContact O-N 2.87Å; P71-Q73 VanDerWaalsContact C-N 3.29Å; P71-Q73 PolarHBondContact O-N 3.14Å; Q73-I75 PolarHBondContact O-N 3.37Å; Q73-I75 VanDerWaalsContact O-N 3.16Å; Q73-V76 HydrophobicContact CB-CG2 3.9Å; Q73-V76 WeakPolarHBondContact O-CB 3.25Å; Q73-V76 PolarHBondContact O-N 2.94Å; Q73-V76 VanDerWaalsContact O-N 3.09Å
74P91.4Very high92.4Very high78 Ų7851 Ų5151%0.50626%0.26SS..Hα-helixtrans-65.5-25.6-175.125.3-33.8000112.8D72 V76 W77 R78D72-P74 WeakPolarHBondContact O-CD 3.47Å; P74-V76 VanDerWaalsContact C-N 3.33Å; P74-W77 PolarHBondContact O-N 2.85Å; P74-R78 WeakPolarHBondContact O-CG 3.41Å; P74-R78 PolarHBondContact O-N 2.87Å
75I92.4Very high92.1Very high47 Ų4749.1 Ų49.124%0.24126%0.262CS..Hα-helixtrans-66.3-37.6177.6-66.8171.5000110.9F40 Y44 Q73 W77 R78 E79F40-I75 HydrophobicContact CE1-CB 4.46Å; F40-I75 HydrophobicContact CE1-CD1 4.22Å; F40-I75 HydrophobicContact CZ-CB 4.14Å; F40-I75 HydrophobicContact CZ-CG2 4.31Å; Y44-I75 HydrophobicContact CD2-CG2 3.83Å; Y44-I75 HydrophobicContact CE1-CG2 4.04Å; Y44-I75 HydrophobicContact CE2-CG2 3.2Å; Y44-I75 HydrophobicContact CG-CG2 4.48Å; Y44-I75 WeakPolarHBondContact OH-CG2 3.39Å; Q73-I75 PolarHBondContact O-N 3.37Å; Q73-I75 VanDerWaalsContact O-N 3.16Å; I75-W77 VanDerWaalsContact C-N 3.3Å; I75-W77 PolarHBondContact O-N 2.88Å; I75-R78 PolarHBondContact O-N 3Å; I75-E79 PolarHBondContact O-N 3.27Å; I75-E79 VanDerWaalsContact O-N 3.12Å
76V92.9Very high92.1Very high1 Ų148 Ų481%0.00626%0.257CS..Hα-helixtrans-61.9-43.2176.2178.80000109.9F40 M66 Q73 P74 R78 E79 I80F40-V76 HydrophobicContact CE2-CG2 3.61Å; F40-V76 HydrophobicContact CZ-CG2 4.05Å; M66-V76 HydrophobicContact CB-CG2 4.23Å; Q73-V76 HydrophobicContact CB-CG2 3.9Å; Q73-V76 WeakPolarHBondContact O-CB 3.25Å; Q73-V76 PolarHBondContact O-N 2.94Å; Q73-V76 VanDerWaalsContact O-N 3.09Å; P74-V76 VanDerWaalsContact C-N 3.33Å; V76-R78 PolarHBondContact O-N 3.05Å; V76-E79 WeakPolarHBondContact O-CB 3.19Å; V76-E79 PolarHBondContact O-N 2.89Å; V76-I80 HydrophobicContact CG1-CD1 3.9Å; V76-I80 WeakPolarHBondContact O-CG1 3.43Å; V76-I80 PolarHBondContact O-N 2.97Å
77W92.7Very high92Very high33 Ų3348.8 Ų48.813%0.12526%0.261CS..Hα-helixtrans-66.8-34.9177.1-69.2108.7000113.4F67 P71 P74 I75 E79 I80 S81 K117 Q121F67-W77 AromaticContact CE2-CH2 3.94Å; F67-W77 HydrophobicContact CE2-CH2 3.94Å; F67-W77 HydrophobicContact CE2-CZ2 4.48Å; P71-W77 PolarHBondContact O-NE1 3.41Å; P74-W77 PolarHBondContact O-N 2.85Å; I75-W77 VanDerWaalsContact C-N 3.3Å; I75-W77 PolarHBondContact O-N 2.88Å; W77-E79 VanDerWaalsContact C-N 3.33Å; W77-E79 PolarHBondContact O-N 3.38Å; W77-I80 HydrophobicContact CD2-CD1 4.2Å; W77-I80 HydrophobicContact CE3-CB 4.22Å; W77-I80 HydrophobicContact CE3-CD1 3.66Å; W77-I80 HydrophobicContact CE3-CG2 4.22Å; W77-I80 HydrophobicContact CH2-CD1 4.19Å; W77-I80 HydrophobicContact CZ3-CD1 3.67Å; W77-I80 HydrophobicContact CZ3-CG2 4.21Å; W77-I80 PolarHBondContact O-N 2.87Å; W77-S81 WeakPolarHBondContact O-CB 3.31Å; W77-S81 PolarHBondContact O-N 3.47Å; W77-S81 PolarHBondContact O-OG 2.72Å; W77-K117 HydrophobicContact CH2-CB 3.42Å; W77-K117 VanDerWaalsContact CH2-CB 3.42Å; W77-K117 HydrophobicContact CH2-CD 4.03Å; W77-K117 HydrophobicContact CH2-CG 4.35Å; W77-K117 HydrophobicContact CZ2-CB 4.36Å; W77-K117 HydrophobicContact CZ2-CD 4.42Å; W77-K117 HydrophobicContact CZ3-CB 4.04Å; W77-Q121 VanDerWaalsContact CE3-OE1 3.27Å
78R92.6Very high91.7Very high173 Ų17352.3 Ų52.365%0.65327%0.274SS*.Hα-helixtrans-60.3-43.2171.7-70.6176.6-172.8175.71.9111.8P74 I75 V76 S81 V82P74-R78 WeakPolarHBondContact O-CG 3.41Å; P74-R78 PolarHBondContact O-N 2.87Å; I75-R78 PolarHBondContact O-N 3Å; V76-R78 PolarHBondContact O-N 3.05Å; R78-S81 PolarHBondContact O-N 3.42Å; R78-V82 WeakPolarHBondContact O-CG2 3.31Å; R78-V82 PolarHBondContact O-N 3.45Å; R78-V82 VanDerWaalsContact O-N 3.12Å
79E92.6Very high91.4Very high20 Ų2051.5 Ų51.59%0.09328%0.275CS..Hα-helixtrans-63.8-44.4175.9-66.8-63.8131.500111.3Y47 R51 I75 V76 W77 S81 V82 I83Y47-E79 HydrophobicContact CE1-CG 3.88Å; Y47-E79 VanDerWaalsContact CE1-OE2 3.32Å; Y47-E79 WeakPolarHBondContact CE1-OE2 3.32Å; Y47-E79 PolarHBondContact OH-OE2 2.72Å; R51-E79 IonicContact CZ-OE1 3.85Å; R51-E79 IonicContact CZ-OE2 3.27Å; R51-E79 IonicContact NH1-OE1 3.12Å; R51-E79 PolarHBondContact NH1-OE1 3.39Å; R51-E79 IonicContact NH1-OE2 3Å; R51-E79 PolarHBondContact NH1-OE2 3.19Å; I75-E79 PolarHBondContact O-N 3.27Å; I75-E79 VanDerWaalsContact O-N 3.12Å; V76-E79 WeakPolarHBondContact O-CB 3.19Å; V76-E79 PolarHBondContact O-N 2.89Å; W77-E79 VanDerWaalsContact C-N 3.33Å; W77-E79 PolarHBondContact O-N 3.38Å; E79-S81 VanDerWaalsContact C-N 3.34Å; E79-S81 PolarHBondContact O-N 3.17Å; E79-V82 PolarHBondContact O-N 3.18Å; E79-I83 VanDerWaalsContact O-CG1 3.3Å; E79-I83 WeakPolarHBondContact O-CG1 3.21Å; E79-I83 PolarHBondContact O-N 3.25Å
80I93.3Very high90.8Very high0 Ų052.1 Ų52.10%028%0.278CS..Hα-helixtrans-60.2-44.2176.2-66.4166.7000110.6F67 V76 W77 V82 I83 T84 M114 A118F67-I80 HydrophobicContact CD2-CD1 3.72Å; F67-I80 HydrophobicContact CE2-CD1 4.07Å; V76-I80 HydrophobicContact CG1-CD1 3.9Å; V76-I80 WeakPolarHBondContact O-CG1 3.43Å; V76-I80 PolarHBondContact O-N 2.97Å; W77-I80 HydrophobicContact CD2-CD1 4.2Å; W77-I80 HydrophobicContact CE3-CB 4.22Å; W77-I80 HydrophobicContact CE3-CD1 3.66Å; W77-I80 HydrophobicContact CE3-CG2 4.22Å; W77-I80 HydrophobicContact CH2-CD1 4.19Å; W77-I80 HydrophobicContact CZ3-CD1 3.67Å; W77-I80 HydrophobicContact CZ3-CG2 4.21Å; W77-I80 PolarHBondContact O-N 2.87Å; I80-V82 VanDerWaalsContact C-N 3.3Å; I80-V82 PolarHBondContact O-N 3.04Å; I80-I83 PolarHBondContact O-N 3.42Å; I80-T84 HydrophobicContact CG2-CG2 4.06Å; I80-T84 WeakPolarHBondContact O-CG2 3.47Å; I80-T84 PolarHBondContact O-N 3.31Å; I80-T84 PolarHBondContact O-OG1 3.19Å; I80-T84 VanDerWaalsContact O-OG1 3.11Å; I80-M114 HydrophobicContact CD1-CE 4.32Å; I80-M114 HydrophobicContact CD1-CG 4.08Å; I80-M114 HydrophobicContact CD1-SD 4.42Å; I80-M114 HydrophobicContact CG1-CE 4.23Å; I80-M114 HydrophobicContact CG1-CG 4.14Å; I80-M114 HydrophobicContact CG1-SD 3.98Å; I80-M114 HydrophobicContact CG2-CG 3.84Å; I80-M114 HydrophobicContact CG2-SD 4.26Å; I80-A118 HydrophobicContact CG2-CB 4.06Å
81S91.3Very high90.4Very high64 Ų6452.9 Ų52.945%0.44829%0.288SS..Hα-helixtrans-59.3-39.1176.9-61.10000112.8W77 R78 E79 T84 A85W77-S81 WeakPolarHBondContact O-CB 3.31Å; W77-S81 PolarHBondContact O-N 3.47Å; W77-S81 PolarHBondContact O-OG 2.72Å; R78-S81 PolarHBondContact O-N 3.42Å; E79-S81 VanDerWaalsContact C-N 3.34Å; E79-S81 PolarHBondContact O-N 3.17Å; S81-T84 WeakPolarHBondContact CA-OG1 3.43Å; S81-T84 PolarHBondContact O-OG1 3.38Å; S81-A85 VanDerWaalsContact O-CB 3.25Å; S81-A85 WeakPolarHBondContact O-CB 3.39Å; S81-A85 PolarHBondContact O-N 3.16Å
82V92.8Very high90.4Very high66 Ų6657.4 Ų57.440%0.431%0.305SS..Hα-helixtrans-68.5-42.2176.6171.50000110.9R78 E79 I80 A85 A86 L99R78-V82 WeakPolarHBondContact O-CG2 3.31Å; R78-V82 PolarHBondContact O-N 3.45Å; R78-V82 VanDerWaalsContact O-N 3.12Å; E79-V82 PolarHBondContact O-N 3.18Å; I80-V82 VanDerWaalsContact C-N 3.3Å; I80-V82 PolarHBondContact O-N 3.04Å; V82-A85 PolarHBondContact O-N 3.32Å; V82-A86 PolarHBondContact O-N 2.98Å; V82-L99 HydrophobicContact CG1-CD1 3.58Å; V82-L99 HydrophobicContact CG1-CD2 4.29Å
83I93.5Very high90.5Very high0 Ų053.3 Ų53.30%028%0.283CS..Hα-helixtrans-63.3-47176.3-67.2165.4000110.8L63 E79 I80 A85 A86 L87 L99 L102 F103L63-I83 HydrophobicContact CD2-CD1 3.51Å; E79-I83 VanDerWaalsContact O-CG1 3.3Å; E79-I83 WeakPolarHBondContact O-CG1 3.21Å; E79-I83 PolarHBondContact O-N 3.25Å; I80-I83 PolarHBondContact O-N 3.42Å; I83-A85 PolarHBondContact O-N 3.2Å; I83-A86 WeakPolarHBondContact O-CB 3.43Å; I83-A86 PolarHBondContact O-N 2.93Å; I83-L87 HydrophobicContact CG2-CD1 4.1Å; I83-L87 HydrophobicContact CG2-CG 4.49Å; I83-L87 WeakPolarHBondContact O-CG 3.43Å; I83-L87 PolarHBondContact O-N 3.48Å; I83-L99 HydrophobicContact CG1-CD2 3.93Å; I83-L102 HydrophobicContact CD1-CD2 4Å; I83-F103 HydrophobicContact CG2-CB 3.85Å; I83-F103 HydrophobicContact CG2-CD2 3.87Å; I83-F103 HydrophobicContact CG2-CG 4.2Å
84T91.8Very high90.5Very high6 Ų658.1 Ų58.14%0.03730%0.302CS..Hα-helixtrans-69.4-32.5-179.659.30000112.7I80 S81 L87 R88 L115 A118 M131I80-T84 HydrophobicContact CG2-CG2 4.06Å; I80-T84 WeakPolarHBondContact O-CG2 3.47Å; I80-T84 PolarHBondContact O-N 3.31Å; I80-T84 PolarHBondContact O-OG1 3.19Å; I80-T84 VanDerWaalsContact O-OG1 3.11Å; S81-T84 WeakPolarHBondContact CA-OG1 3.43Å; S81-T84 PolarHBondContact O-OG1 3.38Å; T84-L87 PolarHBondContact O-N 3.29Å; T84-R88 WeakPolarHBondContact O-CG 3.26Å; T84-R88 PolarHBondContact O-N 3.18Å; T84-R88 VanDerWaalsContact O-N 3.13Å; T84-R88 PolarHBondContact O-NE 2.93Å; T84-L115 HydrophobicContact CG2-CD2 3.83Å; T84-A118 HydrophobicContact CG2-CB 4.26Å; T84-M131 HydrophobicContact CG2-CE 3.63Å
85A90.1Very high90.5Very high46 Ų4659.2 Ų59.238%0.3830%0.301SS..Hα-helixtrans-62.1-43.9168.900000111.7S81 V82 I83 L87 R88 S89S81-A85 VanDerWaalsContact O-CB 3.25Å; S81-A85 WeakPolarHBondContact O-CB 3.39Å; S81-A85 PolarHBondContact O-N 3.16Å; V82-A85 PolarHBondContact O-N 3.32Å; I83-A85 PolarHBondContact O-N 3.2Å; A85-L87 VanDerWaalsContact C-N 3.34Å; A85-L87 PolarHBondContact O-N 3.01Å; A85-R88 PolarHBondContact O-N 3.2Å; A85-S89 WeakPolarHBondContact O-CB 3.39Å; A85-S89 PolarHBondContact O-N 2.91Å
86A92.5Very high90.4Very high7 Ų757.2 Ų57.26%0.05829%0.291CS..Hα-helixtrans-64.6-36.3175.700000112.6V82 I83 R88 S89 A96 L99 R100V82-A86 PolarHBondContact O-N 2.98Å; I83-A86 WeakPolarHBondContact O-CB 3.43Å; I83-A86 PolarHBondContact O-N 2.93Å; A86-R88 VanDerWaalsContact C-N 3.34Å; A86-R88 PolarHBondContact O-N 3.15Å; A86-S89 PolarHBondContact O-N 3.03Å; A86-A96 HydrophobicContact CB-CB 4.06Å; A86-L99 HydrophobicContact CB-CB 3.77Å; A86-L99 HydrophobicContact CB-CD1 3.72Å; A86-L99 HydrophobicContact CB-CG 4.44Å; A86-R100 PolarHBondContact O-NE 2.88Å; A86-R100 PolarHBondContact O-NH2 2.65Å; A86-R100 VanDerWaalsContact O-NH2 3.13Å
87L91.6Very high90.4Very high17 Ų1761.5 Ų61.59%0.08931%0.311CS..Hα-helixtrans-66.3-32.8176.2-71168.4000113.3I83 T84 A85 R100 F103 L115 L134I83-L87 HydrophobicContact CG2-CD1 4.1Å; I83-L87 HydrophobicContact CG2-CG 4.49Å; I83-L87 WeakPolarHBondContact O-CG 3.43Å; I83-L87 PolarHBondContact O-N 3.48Å; T84-L87 PolarHBondContact O-N 3.29Å; A85-L87 VanDerWaalsContact C-N 3.34Å; A85-L87 PolarHBondContact O-N 3.01Å; L87-R100 HydrophobicContact CD2-CB 4.41Å; L87-R100 HydrophobicContact CD2-CG 4.02Å; L87-F103 HydrophobicContact CD1-CB 4.41Å; L87-F103 HydrophobicContact CD1-CD1 3.9Å; L87-F103 HydrophobicContact CD1-CD2 3.97Å; L87-F103 HydrophobicContact CD1-CE1 4.09Å; L87-F103 HydrophobicContact CD1-CE2 4.15Å; L87-F103 HydrophobicContact CD1-CG 3.82Å; L87-F103 HydrophobicContact CD1-CZ 4.2Å; L87-F103 HydrophobicContact CD2-CB 4.46Å; L87-F103 HydrophobicContact CD2-CD1 4.1Å; L87-F103 HydrophobicContact CD2-CG 4.38Å; L87-L115 HydrophobicContact CD1-CD2 4.33Å; L87-L134 HydrophobicContact CB-CD2 3.66Å; L87-L134 HydrophobicContact CD1-CD2 4.33Å
88R87.6Confident90.5Very high76 Ų7660.8 Ų60.829%0.28731%0.309SS..Hα-helixtrans-84.2-24177.7-69.3-177.2-68.5175.6-4.7113.7T84 A85 A86 E127 E130 M131 L134T84-R88 WeakPolarHBondContact O-CG 3.26Å; T84-R88 PolarHBondContact O-N 3.18Å; T84-R88 VanDerWaalsContact O-N 3.13Å; T84-R88 PolarHBondContact O-NE 2.93Å; A85-R88 PolarHBondContact O-N 3.2Å; A86-R88 VanDerWaalsContact C-N 3.34Å; A86-R88 PolarHBondContact O-N 3.15Å; R88-E127 IonicContact CZ-OE1 2.92Å; R88-E127 IonicContact NH1-OE1 3.47Å; R88-E127 IonicContact NH2-OE1 3.82Å; R88-E127 PolarHBondContact NH2-OE1 3.45Å; R88-E130 IonicContact NH1-OE2 3.87Å; R88-M131 VanDerWaalsContact CD-SD 3.51Å; R88-M131 HydrophobicContact CG-SD 4.24Å; R88-M131 VanDerWaalsContact CZ-SD 3.6Å; R88-M131 PolarHBondContact NE-SD 3.49Å; R88-M131 VanDerWaalsContact NE-SD 3.4Å; R88-L134 HydrophobicContact CG-CD2 4.04Å
89S85.2Confident90.6Very high52 Ų5252.8 Ų52.836%0.36428%0.279SS..  trans-77.8146.2179.3179.30000111.5A85 A86 S91 R100A85-S89 WeakPolarHBondContact O-CB 3.39Å; A85-S89 PolarHBondContact O-N 2.91Å; A86-S89 PolarHBondContact O-N 3.03Å; S89-S91 VanDerWaalsContact C-N 3.25Å; S89-S91 WeakPolarHBondContact OG-CB 3.29Å; S89-S91 PolarHBondContact OG-N 3.25Å; S89-S91 VanDerWaalsContact OG-N 3.08Å; S89-R100 PolarHBondContact O-NH2 3.45Å
90D80.3Confident90.7Very high112 Ų11254.1 Ų54.160%0.59928%0.283SS*.  trans-86.24.8169.4-72-44.5000113.1Q92 K249D90-Q92 PolarHBondContact O-N 3.48Å; D90-Q92 PolarHBondContact O-NE2 2.99Å; D90-K249 IonicContact OD2-NZ 3.52Å; D90-K249 PolarHBondContact OD2-NZ 3.4Å
91S84.6Confident90.8Very high46 Ų4656.1 Ų56.132%0.32230%0.3SS..  trans-60.2132.8-174.4-171.80000112.3S89 D93 R100S89-S91 VanDerWaalsContact C-N 3.25Å; S89-S91 WeakPolarHBondContact OG-CB 3.29Å; S89-S91 PolarHBondContact OG-N 3.25Å; S89-S91 VanDerWaalsContact OG-N 3.08Å; S91-D93 WeakPolarHBondContact CB-OD1 3.46Å; S91-D93 PolarHBondContact OG-OD1 2.98Å; S91-R100 VanDerWaalsContact O-CZ 3.32Å; S91-R100 PolarHBondContact O-NH1 3.34Å; S91-R100 PolarHBondContact O-NH2 3.2Å
92Q87Confident91Very high139 Ų13953 Ų5365%0.6528%0.278SS*.  trans-98.514.9178.6-61-57.3-39.200112.4D90 Q97D90-Q92 PolarHBondContact O-N 3.48Å; D90-Q92 PolarHBondContact O-NE2 2.99Å; Q92-Q97 PolarHBondContact O-NE2 3.02Å
93D92.3Very high91.1Very high65 Ų6549.9 Ų49.935%0.34826%0.259SS..  trans-64.314717467.7-55.7000110.8S91 H95 A96 Q97S91-D93 WeakPolarHBondContact CB-OD1 3.46Å; S91-D93 PolarHBondContact OG-OD1 2.98Å; D93-H95 PolarHBondContact O-N 3.42Å; D93-H95 VanDerWaalsContact O-N 3.16Å; D93-H95 WeakPolarHBondContact OD2-CB 3.43Å; D93-A96 PolarHBondContact O-N 3.29Å; D93-A96 WeakPolarHBondContact OD1-CB 3.29Å; D93-A96 PolarHBondContact OD2-N 3.34Å; D93-Q97 WeakPolarHBondContact O-CG 3.15Å; D93-Q97 PolarHBondContact O-N 3.36Å
94K91.3Very high91.2Very high172 Ų17254.5 Ų54.575%0.74828%0.281SS*.Hα-helixtrans-56.1-35.3-178.2-68.1-175.1176.6-176.60112Q97 F98K94-Q97 PolarHBondContact O-N 2.89Å; K94-F98 WeakPolarHBondContact O-CB 3.38Å; K94-F98 PolarHBondContact O-N 3.32Å
95H91.4Very high91.4Very high102 Ų10256.9 Ų56.947%0.47230%0.295SS..Hα-helixtrans-69.8-48.2-178.8-171.462.6000112.1D93 Q97 F98 L99D93-H95 PolarHBondContact O-N 3.42Å; D93-H95 VanDerWaalsContact O-N 3.16Å; D93-H95 WeakPolarHBondContact OD2-CB 3.43Å; H95-Q97 VanDerWaalsContact C-N 3.3Å; H95-Q97 PolarHBondContact O-N 3.33Å; H95-F98 WeakPolarHBondContact O-CB 3.43Å; H95-F98 PolarHBondContact O-N 2.96Å; H95-L99 WeakPolarHBondContact O-CG 3.28Å; H95-L99 PolarHBondContact O-N 2.96Å
96A91.9Very high91.7Very high5 Ų555 Ų554%0.04128%0.279CS..Hα-helixtrans-62-37.3173.600000112.4A86 D93 L99 R100A86-A96 HydrophobicContact CB-CB 4.06Å; D93-A96 PolarHBondContact O-N 3.29Å; D93-A96 WeakPolarHBondContact OD1-CB 3.29Å; D93-A96 PolarHBondContact OD2-N 3.34Å; A96-L99 PolarHBondContact O-N 2.83Å; A96-R100 VanDerWaalsContact O-CG 3.29Å; A96-R100 WeakPolarHBondContact O-CG 3.29Å; A96-R100 PolarHBondContact O-N 3.28Å
97Q92.9Very high91.8Very high90 Ų9058 Ų5842%0.42130%0.298SS..Hα-helixtrans-60.9-44.6174.1-71.4178.7-1.800112.1Q92 D93 K94 H95 R100 A101Q92-Q97 PolarHBondContact O-NE2 3.02Å; D93-Q97 WeakPolarHBondContact O-CG 3.15Å; D93-Q97 PolarHBondContact O-N 3.36Å; K94-Q97 PolarHBondContact O-N 2.89Å; H95-Q97 VanDerWaalsContact C-N 3.3Å; H95-Q97 PolarHBondContact O-N 3.33Å; Q97-R100 PolarHBondContact O-N 3.01Å; Q97-A101 WeakPolarHBondContact O-CB 3.48Å; Q97-A101 PolarHBondContact O-N 3.36Å
98F94.9Very high91.8Very high19 Ų1959 Ų598%0.08331%0.313CS..Hα-helixtrans-58.7-47.5173.8167.5-95000111.8R51 E54 T56 K94 H95 R100 A101 L102R51-F98 HydrophobicContact CG-CE1 3.74Å; R51-F98 HydrophobicContact CG-CZ 3.98Å; E54-F98 HydrophobicContact CB-CD2 4.09Å; E54-F98 HydrophobicContact CB-CE2 4.24Å; E54-F98 HydrophobicContact CG-CD2 4.49Å; T56-F98 HydrophobicContact CG2-CD2 3.68Å; T56-F98 HydrophobicContact CG2-CE2 3.69Å; K94-F98 WeakPolarHBondContact O-CB 3.38Å; K94-F98 PolarHBondContact O-N 3.32Å; H95-F98 WeakPolarHBondContact O-CB 3.43Å; H95-F98 PolarHBondContact O-N 2.96Å; F98-R100 PolarHBondContact O-N 3.34Å; F98-A101 PolarHBondContact O-N 2.77Å; F98-L102 HydrophobicContact CE1-CD2 4.21Å; F98-L102 HydrophobicContact CZ-CD2 4.4Å; F98-L102 WeakPolarHBondContact O-CB 3.48Å; F98-L102 PolarHBondContact O-N 2.69Å
99L94.6Very high92.1Very high5 Ų565.8 Ų65.83%0.02634%0.338CS..Hα-helixtrans-63.7-39.1-179.5-68.2169.8000112.6V82 I83 A86 H95 A96 L102 F103V82-L99 HydrophobicContact CG1-CD1 3.58Å; V82-L99 HydrophobicContact CG1-CD2 4.29Å; I83-L99 HydrophobicContact CG1-CD2 3.93Å; A86-L99 HydrophobicContact CB-CB 3.77Å; A86-L99 HydrophobicContact CB-CD1 3.72Å; A86-L99 HydrophobicContact CB-CG 4.44Å; H95-L99 WeakPolarHBondContact O-CG 3.28Å; H95-L99 PolarHBondContact O-N 2.96Å; A96-L99 PolarHBondContact O-N 2.83Å; L99-L102 WeakPolarHBondContact O-CB 3.45Å; L99-L102 PolarHBondContact O-N 2.64Å; L99-F103 PolarHBondContact O-N 3.28Å; L99-F103 VanDerWaalsContact O-N 3.09Å
100R94.6Very high92.5Very high48 Ų4863.8 Ų63.818%0.18132%0.324CS..Hα-helixtrans-63.8-48.1172.9-66.9-176.9-160.7107.5-2.9110.6A86 L87 S89 S91 A96 Q97 F98 L102 F103 E104A86-R100 PolarHBondContact O-NE 2.88Å; A86-R100 PolarHBondContact O-NH2 2.65Å; A86-R100 VanDerWaalsContact O-NH2 3.13Å; L87-R100 HydrophobicContact CD2-CB 4.41Å; L87-R100 HydrophobicContact CD2-CG 4.02Å; S89-R100 PolarHBondContact O-NH2 3.45Å; S91-R100 VanDerWaalsContact O-CZ 3.32Å; S91-R100 PolarHBondContact O-NH1 3.34Å; S91-R100 PolarHBondContact O-NH2 3.2Å; A96-R100 VanDerWaalsContact O-CG 3.29Å; A96-R100 WeakPolarHBondContact O-CG 3.29Å; A96-R100 PolarHBondContact O-N 3.28Å; Q97-R100 PolarHBondContact O-N 3.01Å; F98-R100 PolarHBondContact O-N 3.34Å; R100-L102 VanDerWaalsContact C-N 3.3Å; R100-L102 PolarHBondContact O-N 2.88Å; R100-F103 WeakPolarHBondContact O-CB 3.26Å; R100-F103 PolarHBondContact O-N 2.85Å; R100-F103 VanDerWaalsContact O-N 3.16Å; R100-E104 WeakPolarHBondContact O-CG 3.47Å; R100-E104 PolarHBondContact O-N 2.93Å
101A94.4Very high93.2Very high41 Ų4159.2 Ų59.234%0.33930%0.299SS..Hα-helixtrans-61.8-37.4178.200000112.5T56 Q97 F98 E104 T105T56-A101 HydrophobicContact CG2-CB 3.84Å; Q97-A101 WeakPolarHBondContact O-CB 3.48Å; Q97-A101 PolarHBondContact O-N 3.36Å; F98-A101 PolarHBondContact O-N 2.77Å; A101-E104 PolarHBondContact O-N 3Å; A101-T105 WeakPolarHBondContact O-CG2 3.37Å; A101-T105 PolarHBondContact O-N 2.85Å
102L95.7Very high93.6Very high0 Ų058.1 Ų58.10%029%0.291CS..Hα-helixtrans-58.7-48.4173.2177.866.5000110.9Y47 A59 G60 L63 I83 F98 L99 R100 E104 T105Y47-L102 HydrophobicContact CE2-CD2 4.36Å; A59-L102 HydrophobicContact CB-CD1 3.59Å; G60-L102 VanDerWaalsContact CA-CD1 3.48Å; L63-L102 HydrophobicContact CD2-CD2 4.16Å; L63-L102 HydrophobicContact CD2-CG 4.18Å; I83-L102 HydrophobicContact CD1-CD2 4Å; F98-L102 HydrophobicContact CE1-CD2 4.21Å; F98-L102 HydrophobicContact CZ-CD2 4.4Å; F98-L102 WeakPolarHBondContact O-CB 3.48Å; F98-L102 PolarHBondContact O-N 2.69Å; L99-L102 WeakPolarHBondContact O-CB 3.45Å; L99-L102 PolarHBondContact O-N 2.64Å; R100-L102 VanDerWaalsContact C-N 3.3Å; R100-L102 PolarHBondContact O-N 2.88Å; L102-E104 VanDerWaalsContact C-N 3.34Å; L102-E104 PolarHBondContact O-N 2.98Å; L102-T105 PolarHBondContact O-N 3.26Å; L102-T105 PolarHBondContact O-OG1 3.13Å
103F95.4Very high93.8Very high0 Ų054.3 Ų54.30%027%0.273CS..Hα-helixtrans-60.6-41.3177-174.9-97.6000112.5I83 L87 L99 R100 T105 L106 Q111 M114 L115 R138I83-F103 HydrophobicContact CG2-CB 3.85Å; I83-F103 HydrophobicContact CG2-CD2 3.87Å; I83-F103 HydrophobicContact CG2-CG 4.2Å; L87-F103 HydrophobicContact CD1-CB 4.41Å; L87-F103 HydrophobicContact CD1-CD1 3.9Å; L87-F103 HydrophobicContact CD1-CD2 3.97Å; L87-F103 HydrophobicContact CD1-CE1 4.09Å; L87-F103 HydrophobicContact CD1-CE2 4.15Å; L87-F103 HydrophobicContact CD1-CG 3.82Å; L87-F103 HydrophobicContact CD1-CZ 4.2Å; L87-F103 HydrophobicContact CD2-CB 4.46Å; L87-F103 HydrophobicContact CD2-CD1 4.1Å; L87-F103 HydrophobicContact CD2-CG 4.38Å; L99-F103 PolarHBondContact O-N 3.28Å; L99-F103 VanDerWaalsContact O-N 3.09Å; R100-F103 WeakPolarHBondContact O-CB 3.26Å; R100-F103 PolarHBondContact O-N 2.85Å; R100-F103 VanDerWaalsContact O-N 3.16Å; F103-T105 PolarHBondContact O-N 3.3Å; F103-T105 VanDerWaalsContact O-N 3.15Å; F103-L106 HydrophobicContact CD2-CD1 4.05Å; F103-L106 HydrophobicContact CE2-CD1 4.42Å; F103-L106 WeakPolarHBondContact O-CB 3.37Å; F103-L106 WeakPolarHBondContact O-CG 3.43Å; F103-L106 PolarHBondContact O-N 3.32Å; F103-Q111 HydrophobicContact CD1-CG 4.19Å; F103-Q111 HydrophobicContact CE1-CB 3.73Å; F103-Q111 HydrophobicContact CE1-CG 3.66Å; F103-Q111 HydrophobicContact CE2-CB 4.2Å; F103-Q111 HydrophobicContact CE2-CG 4.26Å; F103-Q111 HydrophobicContact CZ-CB 3.44Å; F103-Q111 VanDerWaalsContact CZ-CB 3.44Å; F103-Q111 HydrophobicContact CZ-CG 3.72Å; F103-Q111 PolarHBondContact O-NE2 3.24Å; F103-M114 HydrophobicContact CD2-SD 4.08Å; F103-M114 HydrophobicContact CE2-SD 3.83Å; F103-L115 HydrophobicContact CE2-CD2 4.49Å; F103-L115 HydrophobicContact CE2-CG 4.37Å; F103-L115 HydrophobicContact CZ-CD1 3.95Å; F103-L115 HydrophobicContact CZ-CD2 4.27Å; F103-L115 HydrophobicContact CZ-CG 3.87Å; F103-R138 VanDerWaalsContact CE1-NH1 3.31Å
104E95.4Very high93.9Very high96 Ų9651.2 Ų51.245%0.44926%0.257SS..Hα-helixtrans-62.5-20.3178.8-64.5-48.7142.400113.9R100 A101 L102 L106 R138R100-E104 WeakPolarHBondContact O-CG 3.47Å; R100-E104 PolarHBondContact O-N 2.93Å; A101-E104 PolarHBondContact O-N 3Å; L102-E104 VanDerWaalsContact C-N 3.34Å; L102-E104 PolarHBondContact O-N 2.98Å; E104-L106 VanDerWaalsContact C-N 3.27Å; E104-L106 PolarHBondContact O-N 3.15Å; E104-R138 IonicContact OE1-CZ 2.8Å; E104-R138 IonicContact OE1-NH1 3.25Å; E104-R138 PolarHBondContact OE1-NH1 2.69Å; E104-R138 IonicContact OE1-NH2 3.36Å; E104-R138 PolarHBondContact OE1-NH2 2.71Å; E104-R138 IonicContact OE2-NH1 2.64Å
105T96Very high94.1Very high57 Ų5743 Ų4335%0.3522%0.221SC..THydrogen-bonded Turntrans-74.7-17.3176.369.60000113.7G60 A101 L102 F103G60-T105 VanDerWaalsContact CA-OG1 3.27Å; G60-T105 WeakPolarHBondContact CA-OG1 3.42Å; A101-T105 WeakPolarHBondContact O-CG2 3.37Å; A101-T105 PolarHBondContact O-N 2.85Å; L102-T105 PolarHBondContact O-N 3.26Å; L102-T105 PolarHBondContact O-OG1 3.13Å; F103-T105 PolarHBondContact O-N 3.3Å; F103-T105 VanDerWaalsContact O-N 3.15Å
106L95.3Very high94.1Very high6 Ų640.4 Ų40.43%0.03121%0.21CC..SBendtrans-74.5147.1-179.7-58.8175.5000110.5G60 L63 F103 E104 Q111 M114G60-L106 VanDerWaalsContact O-CD2 3.28Å; G60-L106 WeakPolarHBondContact O-CD2 3.18Å; L63-L106 HydrophobicContact CD2-CD1 4.23Å; F103-L106 HydrophobicContact CD2-CD1 4.05Å; F103-L106 HydrophobicContact CE2-CD1 4.42Å; F103-L106 WeakPolarHBondContact O-CB 3.37Å; F103-L106 WeakPolarHBondContact O-CG 3.43Å; F103-L106 PolarHBondContact O-N 3.32Å; E104-L106 VanDerWaalsContact C-N 3.27Å; E104-L106 PolarHBondContact O-N 3.15Å; L106-Q111 HydrophobicContact CB-CG 3.75Å; L106-Q111 PolarHBondContact O-NE2 3.05Å; L106-M114 HydrophobicContact CD1-CE 3.59Å; L106-M114 HydrophobicContact CD1-SD 4.02Å
107P95.2Very high94.1Very high70 Ų7043.1 Ų43.146%0.45522%0.221SC..  trans-58.8141.2172.5-22.332.5000111.8Y64 R109 V110 Q111Y64-P107 HydrophobicContact CD2-CG 4.49Å; P107-R109 VanDerWaalsContact C-N 3.26Å; P107-R109 PolarHBondContact O-N 2.98Å; P107-R109 VanDerWaalsContact O-N 3.12Å; P107-V110 HydrophobicContact CB-CG2 4.03Å; P107-V110 HydrophobicContact CG-CG2 4.12Å; P107-V110 WeakPolarHBondContact O-CA 3.18Å; P107-V110 WeakPolarHBondContact O-CB 3.22Å; P107-V110 PolarHBondContact O-N 3.34Å; P107-Q111 PolarHBondContact O-N 2.93Å
108G92.7Very high94Very high39 Ų3939.3 Ų39.340%0.40221%0.205SC..Hα-helixtrans-54.5-36.7-17500000114.7V110 Q111 C112 F139G108-V110 VanDerWaalsContact C-N 3.31Å; G108-V110 PolarHBondContact O-N 2.78Å; G108-Q111 PolarHBondContact O-N 2.71Å; G108-C112 WeakPolarHBondContact O-CB 3.4Å; G108-C112 PolarHBondContact O-N 3.37Å; G108-F139 WeakPolarHBondContact O-CE1 3.25Å
109R92.1Very high93.9Very high217 Ų21738.8 Ų38.882%0.81920%0.203SC*.Hα-helixtrans-60.4-40.2173.9-174.9-179.7179-154.6-1.5112.4P107 E113P107-R109 VanDerWaalsContact C-N 3.26Å; P107-R109 PolarHBondContact O-N 2.98Å; P107-R109 VanDerWaalsContact O-N 3.12Å; R109-E113 WeakPolarHBondContact O-CB 3.48Å; R109-E113 PolarHBondContact O-N 3.47Å
110V93.9Very high93.6Very high11 Ų1145.7 Ų45.77%0.06724%0.235CC..Hα-helixtrans-74.1-41.2-179.6-177.50000110.4Y64 F67 P107 G108 C112 E113 M114Y64-V110 HydrophobicContact CD2-CB 4.35Å; Y64-V110 HydrophobicContact CD2-CG1 4.01Å; Y64-V110 HydrophobicContact CD2-CG2 3.69Å; Y64-V110 HydrophobicContact CE2-CG1 4.47Å; Y64-V110 HydrophobicContact CE2-CG2 3.46Å; Y64-V110 VanDerWaalsContact CE2-CG2 3.46Å; F67-V110 HydrophobicContact CD1-CG1 3.7Å; F67-V110 HydrophobicContact CE1-CG1 3.91Å; P107-V110 HydrophobicContact CB-CG2 4.03Å; P107-V110 HydrophobicContact CG-CG2 4.12Å; P107-V110 WeakPolarHBondContact O-CA 3.18Å; P107-V110 WeakPolarHBondContact O-CB 3.22Å; P107-V110 PolarHBondContact O-N 3.34Å; G108-V110 VanDerWaalsContact C-N 3.31Å; G108-V110 PolarHBondContact O-N 2.78Å; V110-C112 VanDerWaalsContact C-N 3.28Å; V110-C112 PolarHBondContact O-N 3.42Å; V110-E113 PolarHBondContact O-N 3.19Å; V110-M114 WeakPolarHBondContact O-CB 3.46Å; V110-M114 PolarHBondContact O-N 3.39Å
111Q94.8Very high93.3Very high16 Ų1647.5 Ų47.58%0.07525%0.246CC..Hα-helixtrans-54.9-47.1173.1-69.1-176.116.100110.9F103 L106 P107 G108 L115 F139F103-Q111 HydrophobicContact CD1-CG 4.19Å; F103-Q111 HydrophobicContact CE1-CB 3.73Å; F103-Q111 HydrophobicContact CE1-CG 3.66Å; F103-Q111 HydrophobicContact CE2-CB 4.2Å; F103-Q111 HydrophobicContact CE2-CG 4.26Å; F103-Q111 HydrophobicContact CZ-CB 3.44Å; F103-Q111 VanDerWaalsContact CZ-CB 3.44Å; F103-Q111 HydrophobicContact CZ-CG 3.72Å; F103-Q111 PolarHBondContact O-NE2 3.24Å; L106-Q111 HydrophobicContact CB-CG 3.75Å; L106-Q111 PolarHBondContact O-NE2 3.05Å; P107-Q111 PolarHBondContact O-N 2.93Å; G108-Q111 PolarHBondContact O-N 2.71Å; Q111-L115 WeakPolarHBondContact O-CG 3.46Å; Q111-L115 PolarHBondContact O-N 3.33Å; Q111-L115 VanDerWaalsContact O-N 3.08Å; Q111-F139 HydrophobicContact CB-CE2 4.28Å; Q111-F139 HydrophobicContact CB-CZ 3.62Å
112C93.4Very high93Very high22 Ų2246.7 Ų46.715%0.14924%0.237CC..Hα-helixtrans-62-50.4176.9-1750000111.7G108 V110 M114 L115 L116 F139G108-C112 WeakPolarHBondContact O-CB 3.4Å; G108-C112 PolarHBondContact O-N 3.37Å; V110-C112 VanDerWaalsContact C-N 3.28Å; V110-C112 PolarHBondContact O-N 3.42Å; C112-M114 VanDerWaalsContact C-N 3.33Å; C112-M114 PolarHBondContact O-N 3.07Å; C112-L115 PolarHBondContact O-N 3.44Å; C112-L116 WeakPolarHBondContact O-CG 3.44Å; C112-L116 PolarHBondContact O-N 2.92Å; C112-F139 HydrophobicContact CB-CD1 4.26Å; C112-F139 HydrophobicContact CB-CD2 4.1Å; C112-F139 HydrophobicContact CB-CE1 4.25Å; C112-F139 HydrophobicContact CB-CE2 4.09Å; C112-F139 HydrophobicContact CB-CG 4.2Å; C112-F139 HydrophobicContact CB-CZ 4.18Å
113E92.6Very high92.5Very high60 Ų6056.5 Ų56.528%0.2828%0.28SS..Hα-helixtrans-60.3-40.9178.8-169.9-175.4161.600112.8F67 R109 V110 L116 K117F67-E113 HydrophobicContact CE1-CB 4.43Å; F67-E113 HydrophobicContact CE1-CG 4.33Å; F67-E113 HydrophobicContact CZ-CG 4.23Å; R109-E113 WeakPolarHBondContact O-CB 3.48Å; R109-E113 PolarHBondContact O-N 3.47Å; V110-E113 PolarHBondContact O-N 3.19Å; E113-L116 PolarHBondContact O-N 3.1Å; E113-K117 HydrophobicContact CG-CD 4.39Å; E113-K117 PolarHBondContact O-N 3.09Å; E113-K117 WeakPolarHBondContact OE1-CE 3.3Å; E113-K117 IonicContact OE1-NZ 2.72Å; E113-K117 PolarHBondContact OE1-NZ 3.45Å
114M94.1Very high92.1Very high0 Ų060.5 Ų60.50%030%0.302CS..Hα-helixtrans-62.4-45.2177.4-177.6-178.5-71.500111.4L63 F67 I80 F103 L106 V110 C112 A118L63-M114 HydrophobicContact CG-CE 4.43Å; F67-M114 HydrophobicContact CB-CE 4.18Å; F67-M114 HydrophobicContact CD1-CE 4.36Å; F67-M114 HydrophobicContact CD2-CE 4.04Å; F67-M114 HydrophobicContact CE1-CB 4.31Å; F67-M114 HydrophobicContact CE2-CB 4.1Å; F67-M114 HydrophobicContact CE2-CG 4.17Å; F67-M114 HydrophobicContact CG-CE 3.93Å; F67-M114 HydrophobicContact CZ-CB 3.87Å; F67-M114 HydrophobicContact CZ-CG 4.45Å; I80-M114 HydrophobicContact CD1-CE 4.32Å; I80-M114 HydrophobicContact CD1-CG 4.08Å; I80-M114 HydrophobicContact CD1-SD 4.42Å; I80-M114 HydrophobicContact CG1-CE 4.23Å; I80-M114 HydrophobicContact CG1-CG 4.14Å; I80-M114 HydrophobicContact CG1-SD 3.98Å; I80-M114 HydrophobicContact CG2-CG 3.84Å; I80-M114 HydrophobicContact CG2-SD 4.26Å; F103-M114 HydrophobicContact CD2-SD 4.08Å; F103-M114 HydrophobicContact CE2-SD 3.83Å; L106-M114 HydrophobicContact CD1-CE 3.59Å; L106-M114 HydrophobicContact CD1-SD 4.02Å; V110-M114 WeakPolarHBondContact O-CB 3.46Å; V110-M114 PolarHBondContact O-N 3.39Å; C112-M114 VanDerWaalsContact C-N 3.33Å; C112-M114 PolarHBondContact O-N 3.07Å; M114-A118 VanDerWaalsContact O-CB 3.26Å; M114-A118 WeakPolarHBondContact O-CB 3.47Å; M114-A118 PolarHBondContact O-N 3.44Å
115L94.3Very high91.8Very high0 Ų058.5 Ų58.50%030%0.296CS..Hα-helixtrans-67.6-38.2177.2-70.5178.1000112.5T84 L87 F103 Q111 C112 A118 T119 M131 L134 L135 F139T84-L115 HydrophobicContact CG2-CD2 3.83Å; L87-L115 HydrophobicContact CD1-CD2 4.33Å; F103-L115 HydrophobicContact CE2-CD2 4.49Å; F103-L115 HydrophobicContact CE2-CG 4.37Å; F103-L115 HydrophobicContact CZ-CD1 3.95Å; F103-L115 HydrophobicContact CZ-CD2 4.27Å; F103-L115 HydrophobicContact CZ-CG 3.87Å; Q111-L115 WeakPolarHBondContact O-CG 3.46Å; Q111-L115 PolarHBondContact O-N 3.33Å; Q111-L115 VanDerWaalsContact O-N 3.08Å; C112-L115 PolarHBondContact O-N 3.44Å; L115-A118 PolarHBondContact O-N 2.99Å; L115-T119 WeakPolarHBondContact O-CB 3.37Å; L115-T119 PolarHBondContact O-N 3.35Å; L115-T119 PolarHBondContact O-OG1 2.8Å; L115-M131 HydrophobicContact CD2-CE 3.91Å; L115-L134 HydrophobicContact CD2-CD2 4.16Å; L115-L135 HydrophobicContact CB-CB 4.27Å; L115-L135 HydrophobicContact CB-CD1 3.86Å; L115-L135 HydrophobicContact CB-CG 4.42Å; L115-L135 HydrophobicContact CD1-CB 4.24Å; L115-F139 HydrophobicContact CD1-CE2 4.08Å
116L92.3Very high91.5Very high46 Ų4657.7 Ų57.724%0.24129%0.289CS..Hα-helixtrans-59.7-53.8174.9-75.1171.5000111C112 E113 A118 T119 E120 L135C112-L116 WeakPolarHBondContact O-CG 3.44Å; C112-L116 PolarHBondContact O-N 2.92Å; E113-L116 PolarHBondContact O-N 3.1Å; L116-A118 VanDerWaalsContact C-N 3.32Å; L116-A118 PolarHBondContact O-N 3.43Å; L116-T119 WeakPolarHBondContact O-CA 3.5Å; L116-T119 VanDerWaalsContact O-CB 3.28Å; L116-T119 WeakPolarHBondContact O-CB 3.38Å; L116-T119 PolarHBondContact O-N 3.48Å; L116-E120 PolarHBondContact O-N 2.94Å; L116-E120 VanDerWaalsContact O-N 3.11Å; L116-L135 HydrophobicContact CB-CD1 4.39Å; L116-L135 HydrophobicContact CD2-CD1 3.43Å; L116-L135 VanDerWaalsContact CD2-CD1 3.43Å; L116-L135 HydrophobicContact CG-CD1 3.5Å
117K91.3Very high91.1Very high63 Ų6360.4 Ų60.427%0.27430%0.302SS..Hα-helixtrans-64.1-36.6179.6-71178.4170.81650112.5F67 W77 E113 T119 E120 Q121F67-K117 HydrophobicContact CE2-CD 4.29Å; F67-K117 HydrophobicContact CZ-CD 4.04Å; W77-K117 HydrophobicContact CH2-CB 3.42Å; W77-K117 VanDerWaalsContact CH2-CB 3.42Å; W77-K117 HydrophobicContact CH2-CD 4.03Å; W77-K117 HydrophobicContact CH2-CG 4.35Å; W77-K117 HydrophobicContact CZ2-CB 4.36Å; W77-K117 HydrophobicContact CZ2-CD 4.42Å; W77-K117 HydrophobicContact CZ3-CB 4.04Å; E113-K117 HydrophobicContact CG-CD 4.39Å; E113-K117 PolarHBondContact O-N 3.09Å; E113-K117 WeakPolarHBondContact OE1-CE 3.3Å; E113-K117 IonicContact OE1-NZ 2.72Å; E113-K117 PolarHBondContact OE1-NZ 3.45Å; K117-T119 VanDerWaalsContact C-N 3.28Å; K117-T119 PolarHBondContact O-N 3.4Å; K117-E120 WeakPolarHBondContact O-CB 3.34Å; K117-E120 PolarHBondContact O-N 3.27Å; K117-Q121 PolarHBondContact O-N 3.29Å
118A91.8Very high91Very high10 Ų1061.6 Ų61.68%0.08330%0.3CS..Hα-helixtrans-63.4-35.5173.700000112.1I80 T84 M114 L115 L116 E120 Q121 C122 M131I80-A118 HydrophobicContact CG2-CB 4.06Å; T84-A118 HydrophobicContact CG2-CB 4.26Å; M114-A118 VanDerWaalsContact O-CB 3.26Å; M114-A118 WeakPolarHBondContact O-CB 3.47Å; M114-A118 PolarHBondContact O-N 3.44Å; L115-A118 PolarHBondContact O-N 2.99Å; L116-A118 VanDerWaalsContact C-N 3.32Å; L116-A118 PolarHBondContact O-N 3.43Å; A118-E120 VanDerWaalsContact C-N 3.35Å; A118-Q121 PolarHBondContact O-N 3.1Å; A118-C122 PolarHBondContact O-SG 3.02Å; A118-M131 HydrophobicContact CB-CE 4.06Å
119T91.6Very high91Very high8 Ų860 Ų605%0.04928%0.282CS..Hα-helixtrans-65.8-37175.3-56.80000111.6L115 L116 K117 Q121 C122 K128 M131 L132L115-T119 WeakPolarHBondContact O-CB 3.37Å; L115-T119 PolarHBondContact O-N 3.35Å; L115-T119 PolarHBondContact O-OG1 2.8Å; L116-T119 WeakPolarHBondContact O-CA 3.5Å; L116-T119 VanDerWaalsContact O-CB 3.28Å; L116-T119 WeakPolarHBondContact O-CB 3.38Å; L116-T119 PolarHBondContact O-N 3.48Å; K117-T119 VanDerWaalsContact C-N 3.28Å; K117-T119 PolarHBondContact O-N 3.4Å; T119-Q121 PolarHBondContact O-N 3.27Å; T119-C122 WeakPolarHBondContact O-CB 3.4Å; T119-C122 PolarHBondContact O-N 3.01Å; T119-K128 HydrophobicContact CG2-CG 3.61Å; T119-M131 HydrophobicContact CG2-CB 4.42Å; T119-L132 HydrophobicContact CG2-CB 4.03Å; T119-L132 HydrophobicContact CG2-CD1 4.48Å
120E89.1Confident90.9Very high149 Ų14953.2 Ų53.270%0.69626%0.26SS*.Hα-helixtrans-65.3-25.2176.5-67.3170.9174.400113.1L116 K117 A118L116-E120 PolarHBondContact O-N 2.94Å; L116-E120 VanDerWaalsContact O-N 3.11Å; K117-E120 WeakPolarHBondContact O-CB 3.34Å; K117-E120 PolarHBondContact O-N 3.27Å; A118-E120 VanDerWaalsContact C-N 3.35Å
121Q87.9Confident90.8Very high87 Ų8752.8 Ų52.841%0.40726%0.257SS..THydrogen-bonded Turntrans-87.1-5.9178.2-65.1-175.70.800113.9W77 K117 A118 T119W77-Q121 VanDerWaalsContact CE3-OE1 3.27Å; K117-Q121 PolarHBondContact O-N 3.29Å; A118-Q121 PolarHBondContact O-N 3.1Å; T119-Q121 PolarHBondContact O-N 3.27Å
122C88.6Confident90.8Very high23 Ų2352.7 Ų52.716%0.15526%0.258CS..  trans-71.8130.9178.4-66.10000110.8A118 T119 K128A118-C122 PolarHBondContact O-SG 3.02Å; T119-C122 WeakPolarHBondContact O-CB 3.4Å; T119-C122 PolarHBondContact O-N 3.01Å; C122-K128 HydrophobicContact CB-CB 3.83Å; C122-K128 HydrophobicContact CB-CG 4.36Å
123F84.8Confident90.7Very high206 Ų20652.3 Ų52.390%0.90425%0.254SS*.  trans-84.5-37-176.8-69.2-81.7000113.6
124N86.9Confident90.7Very high84 Ų8450.7 Ų50.745%0.44925%0.247SC..SBendtrans-103.2152.4-176.77849000111.2L126 E127 K128N124-L126 PolarHBondContact O-N 3.08Å; N124-L126 PolarHBondContact OD1-N 3.27Å; N124-E127 WeakPolarHBondContact OD1-CA 3.37Å; N124-E127 WeakPolarHBondContact OD1-CB 3.49Å; N124-E127 PolarHBondContact OD1-N 3.01Å; N124-K128 WeakPolarHBondContact O-CB 3.47Å; N124-K128 PolarHBondContact O-N 3.35Å; N124-K128 VanDerWaalsContact O-N 3.09Å
125T89.1Confident90.7Very high54 Ų5450.7 Ų50.733%0.33125%0.247SC..Hα-helixtrans-66.6-37.5-173.8-52.10000112.9A129 T153 A157 F170T125-A129 VanDerWaalsContact O-CB 3.28Å; T125-A129 WeakPolarHBondContact O-CB 3.27Å; T125-A129 PolarHBondContact O-N 3.39Å; T125-T153 HydrophobicContact CG2-CG2 4.11Å; T125-A157 HydrophobicContact CG2-CB 3.91Å; T125-F170 HydrophobicContact CG2-CE1 4.45Å
126L88.9Confident90.7Very high40 Ų4050.8 Ų50.821%0.20925%0.247CC..Hα-helixtrans-67.9-45.8-179.1-72.1173.2000111.9N124 K128 A129 E130 C169 F170 L173N124-L126 PolarHBondContact O-N 3.08Å; N124-L126 PolarHBondContact OD1-N 3.27Å; L126-K128 VanDerWaalsContact C-N 3.34Å; L126-K128 PolarHBondContact O-N 3.03Å; L126-A129 WeakPolarHBondContact O-CB 3.46Å; L126-A129 PolarHBondContact O-N 3.01Å; L126-A129 VanDerWaalsContact O-N 3.14Å; L126-E130 WeakPolarHBondContact O-CG 3.31Å; L126-E130 PolarHBondContact O-N 3.1Å; L126-C169 HydrophobicContact CD2-CB 4.23Å; L126-F170 HydrophobicContact CD1-CE1 4.48Å; L126-F170 HydrophobicContact CD2-CD1 3.64Å; L126-F170 HydrophobicContact CD2-CE1 3.56Å; L126-F170 HydrophobicContact CD2-CZ 4.41Å; L126-F170 HydrophobicContact CG-CD1 4.35Å; L126-F170 HydrophobicContact CG-CE1 3.75Å; L126-F170 HydrophobicContact CG-CZ 4.38Å; L126-L173 HydrophobicContact CD2-CD1 3.66Å
127E88.6Confident90.7Very high63 Ų6354 Ų5429%0.29426%0.259SS..Hα-helixtrans-62.7-44177.2-167.1179.3-166.300110.6R88 N124 A129 E130 M131R88-E127 IonicContact CZ-OE1 2.92Å; R88-E127 IonicContact NH1-OE1 3.47Å; R88-E127 IonicContact NH2-OE1 3.82Å; R88-E127 PolarHBondContact NH2-OE1 3.45Å; N124-E127 WeakPolarHBondContact OD1-CA 3.37Å; N124-E127 WeakPolarHBondContact OD1-CB 3.49Å; N124-E127 PolarHBondContact OD1-N 3.01Å; E127-A129 VanDerWaalsContact C-N 3.3Å; E127-A129 PolarHBondContact O-N 3.08Å; E127-E130 PolarHBondContact O-N 3.41Å; E127-M131 WeakPolarHBondContact O-CB 3.29Å; E127-M131 WeakPolarHBondContact O-CG 3.24Å; E127-M131 PolarHBondContact O-N 3.19Å
128K91.4Very high90.8Very high96 Ų9654.9 Ų54.942%0.41726%0.261SS..Hα-helixtrans-59.2-43.1173.3-171.1176.2-177.8176.20111.3T119 C122 N124 L126 L132T119-K128 HydrophobicContact CG2-CG 3.61Å; C122-K128 HydrophobicContact CB-CB 3.83Å; C122-K128 HydrophobicContact CB-CG 4.36Å; N124-K128 WeakPolarHBondContact O-CB 3.47Å; N124-K128 PolarHBondContact O-N 3.35Å; N124-K128 VanDerWaalsContact O-N 3.09Å; L126-K128 VanDerWaalsContact C-N 3.34Å; L126-K128 PolarHBondContact O-N 3.03Å; K128-L132 WeakPolarHBondContact O-CB 3.31Å; K128-L132 PolarHBondContact O-N 2.9Å
129A93Very high90.8Very high4 Ų456.1 Ų56.13%0.03327%0.265CS..Hα-helixtrans-66.4-42.7178.200000112.7T125 L126 E127 L132 L133 L150 L154 L173T125-A129 VanDerWaalsContact O-CB 3.28Å; T125-A129 WeakPolarHBondContact O-CB 3.27Å; T125-A129 PolarHBondContact O-N 3.39Å; L126-A129 WeakPolarHBondContact O-CB 3.46Å; L126-A129 PolarHBondContact O-N 3.01Å; L126-A129 VanDerWaalsContact O-N 3.14Å; E127-A129 VanDerWaalsContact C-N 3.3Å; E127-A129 PolarHBondContact O-N 3.08Å; A129-L132 PolarHBondContact O-N 3.01Å; A129-L133 WeakPolarHBondContact O-CB 3.34Å; A129-L133 PolarHBondContact O-N 3.15Å; A129-L150 HydrophobicContact CB-CD1 3.72Å; A129-L154 HydrophobicContact CB-CD2 3.73Å; A129-L154 HydrophobicContact CB-CG 4.38Å; A129-L173 HydrophobicContact CB-CD1 4.45Å
130E91Very high90.7Very high76 Ų7659.6 Ų59.636%0.35529%0.288SS..Hα-helixtrans-64.6-42.2176.3-72.9-179.8155.800112.1R88 L126 E127 L133 L134R88-E130 IonicContact NH1-OE2 3.87Å; L126-E130 WeakPolarHBondContact O-CG 3.31Å; L126-E130 PolarHBondContact O-N 3.1Å; E127-E130 PolarHBondContact O-N 3.41Å; E130-L133 PolarHBondContact O-N 2.81Å; E130-L134 PolarHBondContact O-N 3.14Å
131M91.8Very high90.7Very high1 Ų160.5 Ų60.51%0.00529%0.292CS..Hα-helixtrans-62.6-46.1175.2-79.3-58.2-54.200111.7T84 R88 L115 A118 T119 E127 L133 L134 L135T84-M131 HydrophobicContact CG2-CE 3.63Å; R88-M131 VanDerWaalsContact CD-SD 3.51Å; R88-M131 HydrophobicContact CG-SD 4.24Å; R88-M131 VanDerWaalsContact CZ-SD 3.6Å; R88-M131 PolarHBondContact NE-SD 3.49Å; R88-M131 VanDerWaalsContact NE-SD 3.4Å; L115-M131 HydrophobicContact CD2-CE 3.91Å; A118-M131 HydrophobicContact CB-CE 4.06Å; T119-M131 HydrophobicContact CG2-CB 4.42Å; E127-M131 WeakPolarHBondContact O-CB 3.29Å; E127-M131 WeakPolarHBondContact O-CG 3.24Å; E127-M131 PolarHBondContact O-N 3.19Å; M131-L133 VanDerWaalsContact C-N 3.34Å; M131-L134 WeakPolarHBondContact O-CB 3.41Å; M131-L134 PolarHBondContact O-N 3.16Å; M131-L135 PolarHBondContact O-N 2.96Å
132L93.6Very high90.9Very high15 Ų1556.7 Ų56.78%0.07928%0.275CS..Hα-helixtrans-67.3-37.8177.3-16754.4000111.3T119 K128 A129 L134 L135 L136 H146 L150T119-L132 HydrophobicContact CG2-CB 4.03Å; T119-L132 HydrophobicContact CG2-CD1 4.48Å; K128-L132 WeakPolarHBondContact O-CB 3.31Å; K128-L132 PolarHBondContact O-N 2.9Å; A129-L132 PolarHBondContact O-N 3.01Å; L132-L134 PolarHBondContact O-N 2.7Å; L132-L135 HydrophobicContact CD1-CD2 4.35Å; L132-L135 WeakPolarHBondContact O-CB 3.39Å; L132-L135 PolarHBondContact O-N 3.1Å; L132-L135 VanDerWaalsContact O-N 3.16Å; L132-L136 VanDerWaalsContact O-CG 3.31Å; L132-L136 WeakPolarHBondContact O-CG 3.26Å; L132-L136 PolarHBondContact O-N 3.47Å; L132-H146 HydrophobicContact CD1-CB 4.08Å; L132-H146 HydrophobicContact CD2-CB 4.26Å; L132-H146 HydrophobicContact CG-CB 4.48Å; L132-L150 HydrophobicContact CB-CD1 4.5Å; L132-L150 HydrophobicContact CB-CD2 4.1Å; L132-L150 HydrophobicContact CD2-CB 3.84Å; L132-L150 HydrophobicContact CD2-CD1 4.1Å; L132-L150 HydrophobicContact CD2-CD2 4.11Å; L132-L150 HydrophobicContact CD2-CG 4.22Å; L132-L150 HydrophobicContact CG-CD2 4.04Å
133L92.9Very high91.1Very high13 Ų1355.8 Ų55.87%0.06827%0.268CS..Hα-helixtrans-62.5-40.3175.6-178.568.5000112.3A129 E130 M131 L135 L136 K137 D177 V178 L181A129-L133 WeakPolarHBondContact O-CB 3.34Å; A129-L133 PolarHBondContact O-N 3.15Å; E130-L133 PolarHBondContact O-N 2.81Å; M131-L133 VanDerWaalsContact C-N 3.34Å; L133-L135 VanDerWaalsContact C-N 3.29Å; L133-L135 PolarHBondContact O-N 2.53Å; L133-L136 PolarHBondContact O-N 3.01Å; L133-K137 HydrophobicContact CG-CD 4.24Å; L133-K137 WeakPolarHBondContact O-CB 3.26Å; L133-K137 WeakPolarHBondContact O-CG 3.33Å; L133-K137 PolarHBondContact O-N 2.93Å; L133-D177 HydrophobicContact CD1-CB 3.83Å; L133-D177 HydrophobicContact CD2-CB 3.52Å; L133-D177 HydrophobicContact CG-CB 4.31Å; L133-V178 HydrophobicContact CD1-CG2 4.06Å; L133-L181 HydrophobicContact CD1-CD1 3.68Å
134L92.5Very high91.5Very high26 Ų2649.1 Ų49.114%0.13624%0.244CC..Hα-helixtrans-58-44.3172.9172.765.4000110.9L87 R88 L115 E130 M131 L132 R138L87-L134 HydrophobicContact CB-CD2 3.66Å; L87-L134 HydrophobicContact CD1-CD2 4.33Å; R88-L134 HydrophobicContact CG-CD2 4.04Å; L115-L134 HydrophobicContact CD2-CD2 4.16Å; E130-L134 PolarHBondContact O-N 3.14Å; M131-L134 WeakPolarHBondContact O-CB 3.41Å; M131-L134 PolarHBondContact O-N 3.16Å; L132-L134 PolarHBondContact O-N 2.7Å; L134-R138 PolarHBondContact O-N 2.72Å
135L94.3Very high91.7Very high0 Ų051.7 Ų51.70%025%0.254CS..Hα-helixtrans-61.7-48.9175.5178.6156.8000111.4L115 L116 M131 L132 L133 K137 R138 F139L115-L135 HydrophobicContact CB-CB 4.27Å; L115-L135 HydrophobicContact CB-CD1 3.86Å; L115-L135 HydrophobicContact CB-CG 4.42Å; L115-L135 HydrophobicContact CD1-CB 4.24Å; L116-L135 HydrophobicContact CB-CD1 4.39Å; L116-L135 HydrophobicContact CD2-CD1 3.43Å; L116-L135 VanDerWaalsContact CD2-CD1 3.43Å; L116-L135 HydrophobicContact CG-CD1 3.5Å; M131-L135 PolarHBondContact O-N 2.96Å; L132-L135 HydrophobicContact CD1-CD2 4.35Å; L132-L135 WeakPolarHBondContact O-CB 3.39Å; L132-L135 PolarHBondContact O-N 3.1Å; L132-L135 VanDerWaalsContact O-N 3.16Å; L133-L135 VanDerWaalsContact C-N 3.29Å; L133-L135 PolarHBondContact O-N 2.53Å; L135-K137 VanDerWaalsContact C-N 3.32Å; L135-K137 PolarHBondContact O-N 2.87Å; L135-R138 PolarHBondContact O-N 3.49Å; L135-R138 VanDerWaalsContact O-N 3.11Å; L135-F139 HydrophobicContact CG-CD2 4.29Å; L135-F139 PolarHBondContact O-N 3.5Å
136L93.8Very high91.9Very high2 Ų251.4 Ų51.41%0.0125%0.249CC..Hα-helixtrans-61.7-37.3-179-67.2-172.1000113L132 L133 R138 S142 V143 H146 L150 L181L132-L136 VanDerWaalsContact O-CG 3.31Å; L132-L136 WeakPolarHBondContact O-CG 3.26Å; L132-L136 PolarHBondContact O-N 3.47Å; L133-L136 PolarHBondContact O-N 3.01Å; L136-R138 VanDerWaalsContact C-N 3.31Å; L136-S142 WeakPolarHBondContact CD2-O 3.5Å; L136-V143 HydrophobicContact CB-CG2 4.17Å; L136-V143 HydrophobicContact CD2-CB 4.45Å; L136-V143 HydrophobicContact CD2-CG2 4.09Å; L136-H146 HydrophobicContact CD2-CB 4.17Å; L136-L150 HydrophobicContact CD1-CD2 3.84Å; L136-L181 HydrophobicContact CB-CD1 3.9Å
137K92.4Very high92.2Very high113 Ų11349.5 Ų49.549%0.49124%0.239SC..Hα-helixtrans-68.4-29.9176.9-74177178174.90112.3L133 L135 D177 L181L133-K137 HydrophobicContact CG-CD 4.24Å; L133-K137 WeakPolarHBondContact O-CB 3.26Å; L133-K137 WeakPolarHBondContact O-CG 3.33Å; L133-K137 PolarHBondContact O-N 2.93Å; L135-K137 VanDerWaalsContact C-N 3.32Å; L135-K137 PolarHBondContact O-N 2.87Å; K137-D177 IonicContact NZ-OD1 3.81Å; K137-D177 PolarHBondContact NZ-OD1 3.13Å; K137-L181 HydrophobicContact CG-CD1 3.9Å; K137-L181 HydrophobicContact CG-CD2 4.37Å
138R92.4Very high92.5Very high82 Ų8248.4 Ų48.431%0.30924%0.236SC..Hα-helixtrans-90.2-35.7-178.5-76.8179.1160.7-115-3.8113.6F103 E104 L134 L135 L136 P140F103-R138 VanDerWaalsContact CE1-NH1 3.31Å; E104-R138 IonicContact OE1-CZ 2.8Å; E104-R138 IonicContact OE1-NH1 3.25Å; E104-R138 PolarHBondContact OE1-NH1 2.69Å; E104-R138 IonicContact OE1-NH2 3.36Å; E104-R138 PolarHBondContact OE1-NH2 2.71Å; E104-R138 IonicContact OE2-NH1 2.64Å; L134-R138 PolarHBondContact O-N 2.72Å; L135-R138 PolarHBondContact O-N 3.49Å; L135-R138 VanDerWaalsContact O-N 3.11Å; L136-R138 VanDerWaalsContact C-N 3.31Å; R138-P140 WeakPolarHBondContact O-CD 3.48Å
139F92.1Very high92.6Very high36 Ų3648.8 Ų48.816%0.15824%0.243CC..  trans-122.590.4-175.2-58.6-76.3000110.1G108 Q111 C112 L115 L135 E141 S142G108-F139 WeakPolarHBondContact O-CE1 3.25Å; Q111-F139 HydrophobicContact CB-CE2 4.28Å; Q111-F139 HydrophobicContact CB-CZ 3.62Å; C112-F139 HydrophobicContact CB-CD1 4.26Å; C112-F139 HydrophobicContact CB-CD2 4.1Å; C112-F139 HydrophobicContact CB-CE1 4.25Å; C112-F139 HydrophobicContact CB-CE2 4.09Å; C112-F139 HydrophobicContact CB-CG 4.2Å; C112-F139 HydrophobicContact CB-CZ 4.18Å; L115-F139 HydrophobicContact CD1-CE2 4.08Å; L135-F139 HydrophobicContact CG-CD2 4.29Å; L135-F139 PolarHBondContact O-N 3.5Å; F139-E141 PolarHBondContact O-N 2.92Å; F139-S142 VanDerWaalsContact O-CB 3.29Å; F139-S142 WeakPolarHBondContact O-CB 3.46Å; F139-S142 PolarHBondContact O-N 2.91Å
140P88.7Confident92.7Very high82 Ų8248.9 Ų48.953%0.53224%0.243SC..THydrogen-bonded Turntrans-58.5-31-176.3-27.235.6000114.3R138 S142 V143 N185R138-P140 WeakPolarHBondContact O-CD 3.48Å; P140-S142 PolarHBondContact O-N 3.29Å; P140-V143 VanDerWaalsContact O-CB 3.26Å; P140-V143 WeakPolarHBondContact O-CB 3.47Å; P140-V143 WeakPolarHBondContact O-CG2 3.38Å; P140-V143 PolarHBondContact O-N 3.48Å; P140-V143 VanDerWaalsContact O-N 3.09Å; P140-N185 PolarHBondContact O-ND2 2.84Å; P140-N185 VanDerWaalsContact O-ND2 3.12Å
141E89.4Confident92.9Very high167 Ų16745.3 Ų45.378%0.7823%0.226SC*.Hα-helixtrans-59.9-33.6176.3-61.4179.218000112F139 V143 V144F139-E141 PolarHBondContact O-N 2.92Å; E141-V143 PolarHBondContact O-N 3.34Å; E141-V144 PolarHBondContact O-N 3Å
142S92.6Very high93.1Very high7 Ų747.4 Ų47.45%0.04924%0.236CC..Hα-helixtrans-71-17.8178.9-56.80000113.2L136 F139 P140 V144 Q145 H146L136-S142 WeakPolarHBondContact CD2-O 3.5Å; F139-S142 VanDerWaalsContact O-CB 3.29Å; F139-S142 WeakPolarHBondContact O-CB 3.46Å; F139-S142 PolarHBondContact O-N 2.91Å; P140-S142 PolarHBondContact O-N 3.29Å; S142-V144 VanDerWaalsContact C-N 3.28Å; S142-V144 PolarHBondContact O-N 3.38Å; S142-Q145 PolarHBondContact O-N 2.73Å; S142-H146 PolarHBondContact O-N 2.86Å
143V93.9Very high93.2Very high4 Ų448.8 Ų48.82%0.02425%0.245CC..Hα-helixtrans-61.2-40.4175.7179.40000110.7L136 P140 E141 Q145 G147 L181 V182 N185 M188L136-V143 HydrophobicContact CB-CG2 4.17Å; L136-V143 HydrophobicContact CD2-CB 4.45Å; L136-V143 HydrophobicContact CD2-CG2 4.09Å; P140-V143 VanDerWaalsContact O-CB 3.26Å; P140-V143 WeakPolarHBondContact O-CB 3.47Å; P140-V143 WeakPolarHBondContact O-CG2 3.38Å; P140-V143 PolarHBondContact O-N 3.48Å; P140-V143 VanDerWaalsContact O-N 3.09Å; E141-V143 PolarHBondContact O-N 3.34Å; V143-Q145 VanDerWaalsContact C-N 3.25Å; V143-Q145 PolarHBondContact O-N 2.91Å; V143-G147 WeakPolarHBondContact O-CA 3.4Å; V143-G147 PolarHBondContact O-N 2.84Å; V143-L181 HydrophobicContact CG2-CB 4.48Å; V143-V182 HydrophobicContact CG1-CG2 4.31Å; V143-N185 HydrophobicContact CG1-CB 4.07Å; V143-M188 HydrophobicContact CG1-CE 4.12Å; V143-M188 WeakPolarHBondContact O-CE 3.28Å
144V92.8Very high93.3Very high66 Ų6648.2 Ų48.240%0.424%0.242SC..Hα-helixtrans-62.3-35.9178.3-177.20000111.4E141 S142 D187E141-V144 PolarHBondContact O-N 3Å; S142-V144 VanDerWaalsContact C-N 3.28Å; S142-V144 PolarHBondContact O-N 3.38Å; V144-D187 HydrophobicContact CG2-CB 3.97Å
145Q90.8Very high93.4Very high138 Ų13847.8 Ų47.865%0.64524%0.24SC*.Hα-helixtrans-83.6-40-176.7-63.5179.5-1.700112.9S142 V143S142-Q145 PolarHBondContact O-N 2.73Å; V143-Q145 VanDerWaalsContact C-N 3.25Å; V143-Q145 PolarHBondContact O-N 2.91Å
146H93.6Very high93.4Very high48 Ų4853.4 Ų53.422%0.22227%0.266CS..Hα-helixtrans-121.2-15.7-166.7-56.8-63000114.7L132 L136 S142 N149 L150L132-H146 HydrophobicContact CD1-CB 4.08Å; L132-H146 HydrophobicContact CD2-CB 4.26Å; L132-H146 HydrophobicContact CG-CB 4.48Å; L136-H146 HydrophobicContact CD2-CB 4.17Å; S142-H146 PolarHBondContact O-N 2.86Å; H146-N149 PolarHBondContact O-N 3.38Å; H146-L150 WeakPolarHBondContact O-CB 3.31Å; H146-L150 PolarHBondContact O-N 2.88Å
147G94.1Very high93.4Very high0 Ų053.8 Ų53.80%027%0.27CS..Hα-helixtrans-63.8-48.7-171.500000114.1V143 L150 G151V143-G147 WeakPolarHBondContact O-CA 3.4Å; V143-G147 PolarHBondContact O-N 2.84Å; G147-L150 PolarHBondContact O-N 3.21Å; G147-G151 PolarHBondContact O-N 3.39Å; G147-G151 VanDerWaalsContact O-N 3.11Å
148V94.6Very high93.4Very high41 Ų4149.2 Ų49.225%0.24825%0.25CC..Hα-helixtrans-65.6-44178.1177.50000110.8L150 G151 E152 V182 M188 L190 L194V148-L150 VanDerWaalsContact C-N 3.33Å; V148-L150 PolarHBondContact O-N 3.18Å; V148-G151 PolarHBondContact O-N 2.92Å; V148-G151 VanDerWaalsContact O-N 3.12Å; V148-E152 PolarHBondContact O-N 3.5Å; V148-V182 HydrophobicContact CG2-CG1 4.25Å; V148-M188 HydrophobicContact CG2-CE 3.92Å; V148-M188 HydrophobicContact CG2-SD 3.96Å; V148-L190 HydrophobicContact CG2-CD2 3.61Å; V148-L194 HydrophobicContact CG1-CD2 4.44Å
149N94.6Very high93.4Very high103 Ų10348.9 Ų48.955%0.55127%0.265SS*.Hα-helixtrans-61.4-41.5179.6-172.158.9000112H146 G151 E152 T153H146-N149 PolarHBondContact O-N 3.38Å; N149-G151 VanDerWaalsContact C-N 3.34Å; N149-E152 PolarHBondContact O-N 3.33Å; N149-T153 WeakPolarHBondContact O-CB 3.39Å; N149-T153 PolarHBondContact O-N 3.45Å; N149-T153 PolarHBondContact O-OG1 3.32Å
150L95.8Very high93.3Very high6 Ų652 Ų523%0.03129%0.291CS..Hα-helixtrans-60.8-44.3173.7175.756000111.5A129 L132 L136 H146 G147 V148 T153 L154 V178A129-L150 HydrophobicContact CB-CD1 3.72Å; L132-L150 HydrophobicContact CB-CD1 4.5Å; L132-L150 HydrophobicContact CB-CD2 4.1Å; L132-L150 HydrophobicContact CD2-CB 3.84Å; L132-L150 HydrophobicContact CD2-CD1 4.1Å; L132-L150 HydrophobicContact CD2-CD2 4.11Å; L132-L150 HydrophobicContact CD2-CG 4.22Å; L132-L150 HydrophobicContact CG-CD2 4.04Å; L136-L150 HydrophobicContact CD1-CD2 3.84Å; H146-L150 WeakPolarHBondContact O-CB 3.31Å; H146-L150 PolarHBondContact O-N 2.88Å; G147-L150 PolarHBondContact O-N 3.21Å; V148-L150 VanDerWaalsContact C-N 3.33Å; V148-L150 PolarHBondContact O-N 3.18Å; L150-T153 PolarHBondContact O-N 3.06Å; L150-L154 HydrophobicContact CD1-CD1 4.23Å; L150-L154 HydrophobicContact CD1-CG 4.26Å; L150-L154 HydrophobicContact CG-CD1 4.34Å; L150-L154 WeakPolarHBondContact O-CG 3.33Å; L150-L154 PolarHBondContact O-N 3.18Å; L150-V178 HydrophobicContact CD2-CG1 4.24Å; L150-V178 HydrophobicContact CD2-CG2 3.62Å; L150-V178 HydrophobicContact CG-CG1 4.28Å; L150-V178 HydrophobicContact CG-CG2 3.95Å
151G95.1Very high93.2Very high1 Ų153.9 Ų53.91%0.0129%0.293CS..Hα-helixtrans-59.6-47.4176.900000112.8G147 V148 N149 L154 L155G147-G151 PolarHBondContact O-N 3.39Å; G147-G151 VanDerWaalsContact O-N 3.11Å; V148-G151 PolarHBondContact O-N 2.92Å; V148-G151 VanDerWaalsContact O-N 3.12Å; N149-G151 VanDerWaalsContact C-N 3.34Å; G151-L154 PolarHBondContact O-N 2.92Å; G151-L155 WeakPolarHBondContact O-CG 3.27Å; G151-L155 PolarHBondContact O-N 3.23Å; G151-L155 VanDerWaalsContact O-N 3.14Å
152E95.1Very high92.9Very high45 Ų4552.3 Ų52.321%0.2129%0.29CS..Hα-helixtrans-66.4-40.5177.2-63.6-60.4138.500111.8V148 N149 L154 L155 E156 K197 Y198V148-E152 PolarHBondContact O-N 3.5Å; N149-E152 PolarHBondContact O-N 3.33Å; E152-L154 VanDerWaalsContact C-N 3.28Å; E152-L154 PolarHBondContact O-N 2.92Å; E152-L155 PolarHBondContact O-N 3.2Å; E152-L155 VanDerWaalsContact O-N 3.1Å; E152-E156 WeakPolarHBondContact O-CB 3.25Å; E152-E156 WeakPolarHBondContact O-CG 3.43Å; E152-E156 PolarHBondContact O-N 2.84Å; E152-K197 IonicContact OE1-NZ 3.35Å; E152-K197 PolarHBondContact OE1-NZ 3.27Å; E152-K197 IonicContact OE2-NZ 3.61Å; E152-K197 PolarHBondContact OE2-NZ 3.46Å; E152-Y198 VanDerWaalsContact OE1-CE1 3.25Å; E152-Y198 WeakPolarHBondContact OE1-CE1 3.33Å; E152-Y198 PolarHBondContact OE1-OH 3.25Å
153T95.1Very high92.5Very high44 Ų4454.4 Ų54.427%0.2730%0.302SS..Hα-helixtrans-58-39.8175.4-60.80000111.9T125 N149 L150 A157T125-T153 HydrophobicContact CG2-CG2 4.11Å; N149-T153 WeakPolarHBondContact O-CB 3.39Å; N149-T153 PolarHBondContact O-N 3.45Å; N149-T153 PolarHBondContact O-OG1 3.32Å; L150-T153 PolarHBondContact O-N 3.06Å; T153-A157 WeakPolarHBondContact O-CB 3.12Å; T153-A157 PolarHBondContact O-N 3.24Å
154L95.9Very high91.9Very high1 Ų163.4 Ų63.41%0.00534%0.344CS..Hα-helixtrans-66.8-41176.3-73.3170.3000112.1A129 L150 G151 E152 A157 E158 F170 L173 F174 V178A129-L154 HydrophobicContact CB-CD2 3.73Å; A129-L154 HydrophobicContact CB-CG 4.38Å; L150-L154 HydrophobicContact CD1-CD1 4.23Å; L150-L154 HydrophobicContact CD1-CG 4.26Å; L150-L154 HydrophobicContact CG-CD1 4.34Å; L150-L154 WeakPolarHBondContact O-CG 3.33Å; L150-L154 PolarHBondContact O-N 3.18Å; G151-L154 PolarHBondContact O-N 2.92Å; E152-L154 VanDerWaalsContact C-N 3.28Å; E152-L154 PolarHBondContact O-N 2.92Å; L154-A157 PolarHBondContact O-N 2.87Å; L154-E158 PolarHBondContact O-N 3.49Å; L154-F170 HydrophobicContact CD2-CB 4.39Å; L154-F170 HydrophobicContact CD2-CD1 3.98Å; L154-F170 WeakPolarHBondContact O-CB 3.47Å; L154-L173 HydrophobicContact CD1-CB 4.06Å; L154-L173 HydrophobicContact CD2-CB 4.47Å; L154-L173 HydrophobicContact CD2-CD1 4.44Å; L154-F174 HydrophobicContact CB-CB 4.27Å; L154-F174 HydrophobicContact CD1-CB 3.98Å; L154-V178 HydrophobicContact CD1-CG2 3.96Å
155L94.4Very high91.8Very high18 Ų1863.3 Ų63.39%0.09434%0.344CS..Hα-helixtrans-70.2-33.9177.4-66.1176.4000112.3G151 E152 A159 F174 Y198 K201G151-L155 WeakPolarHBondContact O-CG 3.27Å; G151-L155 PolarHBondContact O-N 3.23Å; G151-L155 VanDerWaalsContact O-N 3.14Å; E152-L155 PolarHBondContact O-N 3.2Å; E152-L155 VanDerWaalsContact O-N 3.1Å; L155-A159 PolarHBondContact O-N 3.47Å; L155-A159 VanDerWaalsContact O-N 3.1Å; L155-F174 HydrophobicContact CD1-CD1 4.39Å; L155-F174 HydrophobicContact CD1-CE1 4.07Å; L155-F174 HydrophobicContact CD1-CZ 4.3Å; L155-F174 HydrophobicContact CD2-CD1 3.84Å; L155-F174 HydrophobicContact CD2-CE1 4.21Å; L155-F174 HydrophobicContact CD2-CG 4.45Å; L155-F174 HydrophobicContact CG-CD1 4.22Å; L155-F174 HydrophobicContact CG-CE1 4.4Å; L155-Y198 HydrophobicContact CD1-CE1 4.36Å; L155-K201 HydrophobicContact CD2-CD 4.49Å
156E94.5Very high91.8Very high117 Ų11758.2 Ų58.255%0.54732%0.322SS..Hα-helixtrans-67.9-40173.2-74.1172.5-178.200111.8E152 A159 S160E152-E156 WeakPolarHBondContact O-CB 3.25Å; E152-E156 WeakPolarHBondContact O-CG 3.43Å; E152-E156 PolarHBondContact O-N 2.84Å; E156-A159 PolarHBondContact O-N 2.68Å; E156-S160 WeakPolarHBondContact O-CB 3.47Å; E156-S160 PolarHBondContact O-N 2.88Å; E156-S160 PolarHBondContact O-OG 3.37Å
157A93.4Very high91.9Very high10 Ų1056 Ų568%0.08331%0.313CS..Hα-helixtrans-63.2-4517400000111.5T125 T153 L154 A159 S160 E161 F170T125-A157 HydrophobicContact CG2-CB 3.91Å; T153-A157 WeakPolarHBondContact O-CB 3.12Å; T153-A157 PolarHBondContact O-N 3.24Å; L154-A157 PolarHBondContact O-N 2.87Å; A157-A159 VanDerWaalsContact C-N 3.28Å; A157-A159 PolarHBondContact O-N 2.79Å; A157-S160 PolarHBondContact O-N 3.26Å; A157-E161 PolarHBondContact O-N 2.81Å; A157-F170 HydrophobicContact CB-CD1 3.85Å; A157-F170 HydrophobicContact CB-CE1 3.78Å; A157-F170 HydrophobicContact CB-CG 4.27Å; A157-F170 HydrophobicContact CB-CZ 4.14Å
158E93.6Very high91.9Very high17 Ų1756.5 Ų56.58%0.07932%0.315CS..Hα-helixtrans-54.9-44173.4-179.5-177.3-156.100111.9L154 N168 F170 R171L154-E158 PolarHBondContact O-N 3.49Å; E158-N168 PolarHBondContact OE1-ND2 2.98Å; E158-F170 HydrophobicContact CB-CB 4.18Å; E158-F170 HydrophobicContact CB-CD2 4.33Å; E158-R171 IonicContact OE1-CZ 3.42Å; E158-R171 IonicContact OE1-NE 2.58Å; E158-R171 PolarHBondContact OE1-NE 3.41Å; E158-R171 IonicContact OE1-NH2 3.37Å; E158-R171 PolarHBondContact OE1-NH2 3.38Å; E158-R171 IonicContact OE2-CZ 3.35Å; E158-R171 VanDerWaalsContact OE2-CZ 3.25Å; E158-R171 IonicContact OE2-NE 2.62Å; E158-R171 PolarHBondContact OE2-NE 2.87Å; E158-R171 IonicContact OE2-NH2 2.69Å; E158-R171 PolarHBondContact OE2-NH2 3.14Å
159A91.3Very high91.8Very high75 Ų7555 Ų5562%0.6231%0.307SS*.Hα-helixtrans-69.9-38.2178.300000112.9L155 E156 A157 N162L155-A159 PolarHBondContact O-N 3.47Å; L155-A159 VanDerWaalsContact O-N 3.1Å; E156-A159 PolarHBondContact O-N 2.68Å; A157-A159 VanDerWaalsContact C-N 3.28Å; A157-A159 PolarHBondContact O-N 2.79Å; A159-N162 PolarHBondContact O-N 2.73Å
160S89.9Confident91.9Very high102 Ų10250.3 Ų50.371%0.71328%0.281SS*.Hα-helixtrans-72.5-35.3-176.9-580000112.6E156 A157 N162E156-S160 WeakPolarHBondContact O-CB 3.47Å; E156-S160 PolarHBondContact O-N 2.88Å; E156-S160 PolarHBondContact O-OG 3.37Å; A157-S160 PolarHBondContact O-N 3.26Å; S160-N162 PolarHBondContact O-N 3.4Å
161E87.6Confident91.9Very high121 Ų12150.3 Ų50.357%0.56528%0.281SS*.THydrogen-bonded Turntrans-82.42177.4-66.2-170.6-168.100113.2A157 V163 F170A157-E161 PolarHBondContact O-N 2.81Å; E161-V163 VanDerWaalsContact C-N 3.27Å; E161-V163 HydrophobicContact CB-CG2 4.05Å; E161-V163 PolarHBondContact O-N 2.85Å; E161-F170 VanDerWaalsContact CD-CZ 3.49Å; E161-F170 HydrophobicContact CG-CE2 4.43Å; E161-F170 WeakPolarHBondContact OE1-CZ 3.36Å; E161-F170 VanDerWaalsContact OE2-CE2 3.22Å; E161-F170 WeakPolarHBondContact OE2-CE2 3.28Å; E161-F170 WeakPolarHBondContact OE2-CZ 3.47Å
162N81.2Confident91.9Very high134 Ų13451.1 Ų51.172%0.71728%0.284SS*.THydrogen-bonded Turntrans50.244.5177.9-167.144.9000113.2A159 S160 E164A159-N162 PolarHBondContact O-N 2.73Å; S160-N162 PolarHBondContact O-N 3.4Å; N162-E164 PolarHBondContact O-N 3Å
163V85.4Confident91.9Very high51 Ų5149.5 Ų49.531%0.30928%0.277SS..  trans-67.5124.3-177.3-172.30000110.3E161 T165 N168E161-V163 VanDerWaalsContact C-N 3.27Å; E161-V163 HydrophobicContact CB-CG2 4.05Å; E161-V163 PolarHBondContact O-N 2.85Å; V163-T165 VanDerWaalsContact C-N 3.33Å; V163-T165 HydrophobicContact CG1-CG2 4.42Å; V163-T165 PolarHBondContact O-N 3.24Å; V163-N168 HydrophobicContact CG1-CB 3.63Å
164E81.9Confident92Very high193 Ų19347.5 Ų47.590%0.90226%0.264SS*.SBendtrans-71.6-25.6-172.5-63.9-172.6165.700113.9N162N162-E164 PolarHBondContact O-N 3Å
165T89.5Confident92.1Very high65 Ų6547.4 Ų47.440%0.39926%0.264SS..SBendtrans-116.7139.4-174.7177.40000112V163 V167 N168V163-T165 VanDerWaalsContact C-N 3.33Å; V163-T165 HydrophobicContact CG1-CG2 4.42Å; V163-T165 PolarHBondContact O-N 3.24Å; T165-V167 PolarHBondContact O-N 2.9Å; T165-V167 VanDerWaalsContact O-N 3.15Å; T165-V167 PolarHBondContact OG1-N 3.46Å; T165-N168 PolarHBondContact O-ND2 3.26Å
166P91.9Very high92.2Very high30 Ų3047.1 Ų47.120%0.19526%0.263CS..SBendtrans-66.1-14.817429.5-36.5000112.1N168 R171 E204 F205P166-N168 PolarHBondContact O-N 3.06Å; P166-N168 PolarHBondContact O-ND2 3.28Å; P166-R171 VanDerWaalsContact O-CB 3.25Å; P166-R171 WeakPolarHBondContact O-CB 3.14Å; P166-R171 VanDerWaalsContact O-CG 3.26Å; P166-R171 WeakPolarHBondContact O-CG 3.38Å; P166-E204 HydrophobicContact CB-CG 3.69Å; P166-E204 HydrophobicContact CG-CG 3.91Å; P166-F205 WeakPolarHBondContact O-CD2 3.46Å
167V93.8Very high92.2Very high3 Ų343.2 Ų43.22%0.01825%0.246CC..  trans-95.480.5-179.4-154.60000109.9T165 F205 Y209 R212 I243T165-V167 PolarHBondContact O-N 2.9Å; T165-V167 VanDerWaalsContact O-N 3.15Å; T165-V167 PolarHBondContact OG1-N 3.46Å; V167-F205 HydrophobicContact CB-CE2 4.39Å; V167-F205 HydrophobicContact CG1-CD2 4.06Å; V167-F205 HydrophobicContact CG1-CE2 3.57Å; V167-F205 HydrophobicContact CG1-CZ 4.11Å; V167-Y209 HydrophobicContact CG1-CD2 3.65Å; V167-Y209 HydrophobicContact CG1-CG 4.28Å; V167-R212 VanDerWaalsContact CG1-NE 3.31Å; V167-R212 PolarHBondContact O-NH2 3.38Å; V167-I243 HydrophobicContact CG1-CD1 4.46Å
168N94.1Very high92.3Very high9 Ų942.8 Ų42.85%0.04824%0.242CC..SBendtrans-134.5172.9-176.362.569.4000111.6E158 V163 T165 P166 F170 R171 K172 I243E158-N168 PolarHBondContact OE1-ND2 2.98Å; V163-N168 HydrophobicContact CG1-CB 3.63Å; T165-N168 PolarHBondContact O-ND2 3.26Å; P166-N168 PolarHBondContact O-N 3.06Å; P166-N168 PolarHBondContact O-ND2 3.28Å; N168-F170 PolarHBondContact O-N 3.18Å; N168-F170 PolarHBondContact OD1-N 3.12Å; N168-F170 VanDerWaalsContact OD1-N 3.17Å; N168-R171 PolarHBondContact OD1-N 3.39Å; N168-K172 WeakPolarHBondContact O-CB 3.5Å; N168-K172 PolarHBondContact O-N 2.9Å; N168-I243 VanDerWaalsContact C-CG2 3.47Å
169C94Very high92.5Very high11 Ų1142 Ų427%0.07424%0.239CC..Hα-helixtrans-60.9-43.7-175.757.10000113.1L126 K172 L173 I243 D244 L246L126-C169 HydrophobicContact CD2-CB 4.23Å; C169-K172 PolarHBondContact O-N 3.34Å; C169-L173 WeakPolarHBondContact O-CG 3.3Å; C169-L173 PolarHBondContact O-N 2.67Å; C169-I243 HydrophobicContact CB-CG2 4.44Å; C169-D244 WeakPolarHBondContact CB-O 3.33Å; C169-L246 HydrophobicContact CB-CD1 4.07Å; C169-L246 HydrophobicContact CB-CD2 4.04Å; C169-L246 HydrophobicContact CB-CG 3.69Å
170F95.8Very high92.7Very high3 Ų340 Ų401%0.01322%0.22CC..Hα-helixtrans-64.9-50.2179.9-55.1-68.5000111.7T125 L126 L154 A157 E158 E161 N168 K172 L173 F174T125-F170 HydrophobicContact CG2-CE1 4.45Å; L126-F170 HydrophobicContact CD1-CE1 4.48Å; L126-F170 HydrophobicContact CD2-CD1 3.64Å; L126-F170 HydrophobicContact CD2-CE1 3.56Å; L126-F170 HydrophobicContact CD2-CZ 4.41Å; L126-F170 HydrophobicContact CG-CD1 4.35Å; L126-F170 HydrophobicContact CG-CE1 3.75Å; L126-F170 HydrophobicContact CG-CZ 4.38Å; L154-F170 HydrophobicContact CD2-CB 4.39Å; L154-F170 HydrophobicContact CD2-CD1 3.98Å; L154-F170 WeakPolarHBondContact O-CB 3.47Å; A157-F170 HydrophobicContact CB-CD1 3.85Å; A157-F170 HydrophobicContact CB-CE1 3.78Å; A157-F170 HydrophobicContact CB-CG 4.27Å; A157-F170 HydrophobicContact CB-CZ 4.14Å; E158-F170 HydrophobicContact CB-CB 4.18Å; E158-F170 HydrophobicContact CB-CD2 4.33Å; E161-F170 VanDerWaalsContact CD-CZ 3.49Å; E161-F170 HydrophobicContact CG-CE2 4.43Å; E161-F170 WeakPolarHBondContact OE1-CZ 3.36Å; E161-F170 VanDerWaalsContact OE2-CE2 3.22Å; E161-F170 WeakPolarHBondContact OE2-CE2 3.28Å; E161-F170 WeakPolarHBondContact OE2-CZ 3.47Å; N168-F170 PolarHBondContact O-N 3.18Å; N168-F170 PolarHBondContact OD1-N 3.12Å; N168-F170 VanDerWaalsContact OD1-N 3.17Å; F170-K172 VanDerWaalsContact C-N 3.28Å; F170-K172 PolarHBondContact O-N 3.43Å; F170-L173 PolarHBondContact O-N 3.13Å; F170-F174 WeakPolarHBondContact O-CB 3.3Å; F170-F174 PolarHBondContact O-N 2.86Å
171R95.9Very high93Very high6 Ų637.4 Ų37.42%0.02320%0.197CC..Hα-helixtrans-64.2-37.2179.2-17266.869.482.612.5111.1E158 P166 N168 F174 V175 K201 E204 F205E158-R171 IonicContact OE1-CZ 3.42Å; E158-R171 IonicContact OE1-NE 2.58Å; E158-R171 PolarHBondContact OE1-NE 3.41Å; E158-R171 IonicContact OE1-NH2 3.37Å; E158-R171 PolarHBondContact OE1-NH2 3.38Å; E158-R171 IonicContact OE2-CZ 3.35Å; E158-R171 VanDerWaalsContact OE2-CZ 3.25Å; E158-R171 IonicContact OE2-NE 2.62Å; E158-R171 PolarHBondContact OE2-NE 2.87Å; E158-R171 IonicContact OE2-NH2 2.69Å; E158-R171 PolarHBondContact OE2-NH2 3.14Å; P166-R171 VanDerWaalsContact O-CB 3.25Å; P166-R171 WeakPolarHBondContact O-CB 3.14Å; P166-R171 VanDerWaalsContact O-CG 3.26Å; P166-R171 WeakPolarHBondContact O-CG 3.38Å; N168-R171 PolarHBondContact OD1-N 3.39Å; R171-F174 PolarHBondContact O-N 2.75Å; R171-V175 HydrophobicContact CG-CG2 3.99Å; R171-V175 VanDerWaalsContact O-CB 3.29Å; R171-V175 WeakPolarHBondContact O-CB 3.46Å; R171-V175 VanDerWaalsContact O-CG2 3.3Å; R171-V175 WeakPolarHBondContact O-CG2 3.37Å; R171-V175 PolarHBondContact O-N 3.13Å; R171-K201 PolarHBondContact NH1-O 3.15Å; R171-E204 IonicContact CZ-OE2 2.72Å; R171-E204 IonicContact NH1-OE2 3.08Å; R171-E204 PolarHBondContact NH1-OE2 3.39Å; R171-E204 IonicContact NH2-OE2 3.17Å; R171-F205 HydrophobicContact CB-CD2 4.02Å; R171-F205 HydrophobicContact CG-CB 3.7Å; R171-F205 HydrophobicContact CG-CD2 3.6Å; R171-F205 HydrophobicContact CG-CG 3.94Å
172K95.9Very high93.4Very high18 Ų1831.7 Ų31.78%0.07817%0.171CC..Hα-helixtrans-63.6-49.2176.3-169.1-127.5166.3-143.90111.4N168 C169 F170 F174 V175 C176 F205 I243 L246 S250N168-K172 WeakPolarHBondContact O-CB 3.5Å; N168-K172 PolarHBondContact O-N 2.9Å; C169-K172 PolarHBondContact O-N 3.34Å; F170-K172 VanDerWaalsContact C-N 3.28Å; F170-K172 PolarHBondContact O-N 3.43Å; K172-F174 VanDerWaalsContact C-N 3.32Å; K172-F174 PolarHBondContact O-N 2.65Å; K172-V175 PolarHBondContact O-N 2.66Å; K172-C176 WeakPolarHBondContact O-CB 3.36Å; K172-C176 PolarHBondContact O-N 3.41Å; K172-F205 HydrophobicContact CB-CE2 3.63Å; K172-F205 HydrophobicContact CB-CZ 3.68Å; K172-F205 HydrophobicContact CG-CE1 4.43Å; K172-F205 HydrophobicContact CG-CE2 4.08Å; K172-F205 HydrophobicContact CG-CZ 3.58Å; K172-I243 HydrophobicContact CB-CD1 4.17Å; K172-I243 HydrophobicContact CD-CD1 4.11Å; K172-I243 HydrophobicContact CG-CD1 3.97Å; K172-L246 HydrophobicContact CB-CD1 4.36Å; K172-L246 HydrophobicContact CD-CD1 3.34Å; K172-L246 HydrophobicContact CG-CD1 4.4Å; K172-S250 WeakPolarHBondContact CD-O 3.39Å; K172-S250 WeakPolarHBondContact CE-O 3.35Å; K172-S250 PolarHBondContact NZ-O 3.21Å
173L95.4Very high94Very high11 Ų1125.4 Ų25.46%0.05814%0.137CC..Iπ-helixtrans-59.5-43.7174.9-74.6173.5000111.4L126 A129 L154 C169 F170 D177 V178L126-L173 HydrophobicContact CD2-CD1 3.66Å; A129-L173 HydrophobicContact CB-CD1 4.45Å; L154-L173 HydrophobicContact CD1-CB 4.06Å; L154-L173 HydrophobicContact CD2-CB 4.47Å; L154-L173 HydrophobicContact CD2-CD1 4.44Å; C169-L173 WeakPolarHBondContact O-CG 3.3Å; C169-L173 PolarHBondContact O-N 2.67Å; F170-L173 PolarHBondContact O-N 3.13Å; L173-D177 VanDerWaalsContact O-CB 3.3Å; L173-D177 WeakPolarHBondContact O-CB 3.32Å; L173-D177 PolarHBondContact O-N 3.27Å; L173-D177 VanDerWaalsContact O-N 3.15Å; L173-V178 PolarHBondContact O-N 2.8Å
174F97.4Very high94.4Very high2 Ų227.4 Ų27.41%0.00915%0.146CC..Iπ-helixtrans-61.4-56177.9172.6-120.7000111.5L154 L155 F170 R171 K172 V178 L179 Y198 K201L154-F174 HydrophobicContact CB-CB 4.27Å; L154-F174 HydrophobicContact CD1-CB 3.98Å; L155-F174 HydrophobicContact CD1-CD1 4.39Å; L155-F174 HydrophobicContact CD1-CE1 4.07Å; L155-F174 HydrophobicContact CD1-CZ 4.3Å; L155-F174 HydrophobicContact CD2-CD1 3.84Å; L155-F174 HydrophobicContact CD2-CE1 4.21Å; L155-F174 HydrophobicContact CD2-CG 4.45Å; L155-F174 HydrophobicContact CG-CD1 4.22Å; L155-F174 HydrophobicContact CG-CE1 4.4Å; F170-F174 WeakPolarHBondContact O-CB 3.3Å; F170-F174 PolarHBondContact O-N 2.86Å; R171-F174 PolarHBondContact O-N 2.75Å; K172-F174 VanDerWaalsContact C-N 3.32Å; K172-F174 PolarHBondContact O-N 2.65Å; F174-V178 HydrophobicContact CD2-CB 4.33Å; F174-V178 HydrophobicContact CD2-CG1 4.48Å; F174-V178 PolarHBondContact O-N 2.77Å; F174-L179 HydrophobicContact CE2-CB 4.26Å; F174-L179 HydrophobicContact CE2-CD1 4.49Å; F174-L179 HydrophobicContact CZ-CB 4.39Å; F174-L179 HydrophobicContact CZ-CD1 4.2Å; F174-L179 VanDerWaalsContact O-CB 3.26Å; F174-L179 WeakPolarHBondContact O-CB 3.41Å; F174-L179 PolarHBondContact O-N 2.77Å; F174-Y198 HydrophobicContact CE1-CD1 4.16Å; F174-Y198 HydrophobicContact CE2-CE1 4.41Å; F174-Y198 AromaticContact CZ-CD1 3.53Å; F174-Y198 HydrophobicContact CZ-CD1 3.53Å; F174-Y198 HydrophobicContact CZ-CD2 4.21Å; F174-Y198 AromaticContact CZ-CE1 3.74Å; F174-Y198 HydrophobicContact CZ-CE1 3.74Å; F174-Y198 HydrophobicContact CZ-CE2 4.4Å; F174-Y198 AromaticContact CZ-CG 3.77Å; F174-Y198 HydrophobicContact CZ-CG 3.77Å; F174-K201 HydrophobicContact CE1-CB 4.33Å
175V97.3Very high94.9Very high0 Ų019.1 Ų19.10%011%0.108CC..Iπ-helixtrans-76.1-38.4-170.11720000112.8R171 K172 P180 A202 F205 Y206R171-V175 HydrophobicContact CG-CG2 3.99Å; R171-V175 VanDerWaalsContact O-CB 3.29Å; R171-V175 WeakPolarHBondContact O-CB 3.46Å; R171-V175 VanDerWaalsContact O-CG2 3.3Å; R171-V175 WeakPolarHBondContact O-CG2 3.37Å; R171-V175 PolarHBondContact O-N 3.13Å; K172-V175 PolarHBondContact O-N 2.66Å; V175-P180 WeakPolarHBondContact O-CD 3.17Å; V175-A202 HydrophobicContact CG1-CB 3.59Å; V175-A202 HydrophobicContact CG2-CB 4.18Å; V175-F205 HydrophobicContact CB-CD1 4.25Å; V175-F205 HydrophobicContact CB-CG 4.44Å; V175-F205 HydrophobicContact CG1-CD1 3.98Å; V175-F205 HydrophobicContact CG1-CG 4.48Å; V175-F205 HydrophobicContact CG2-CB 4.21Å; V175-F205 HydrophobicContact CG2-CG 4.48Å; V175-Y206 HydrophobicContact CG1-CD2 3.92Å; V175-Y206 HydrophobicContact CG1-CE2 3.22Å
176C96.2Very high94.7Very high12 Ų1223.6 Ų23.68%0.08113%0.126CC..Iπ-helixtrans-89.3-27.7-174.4-62.40000113.2K172K172-C176 WeakPolarHBondContact O-CB 3.36Å; K172-C176 PolarHBondContact O-N 3.41Å
177D94.6Very high94.6Very high34 Ų3428.1 Ų28.118%0.18215%0.149CC..Iπ-helixtrans-118.7-47.8-170.4-71.5-77.4000113.3L133 K137 L173 L181L133-D177 HydrophobicContact CD1-CB 3.83Å; L133-D177 HydrophobicContact CD2-CB 3.52Å; L133-D177 HydrophobicContact CG-CB 4.31Å; K137-D177 IonicContact NZ-OD1 3.81Å; K137-D177 PolarHBondContact NZ-OD1 3.13Å; L173-D177 VanDerWaalsContact O-CB 3.3Å; L173-D177 WeakPolarHBondContact O-CB 3.32Å; L173-D177 PolarHBondContact O-N 3.27Å; L173-D177 VanDerWaalsContact O-N 3.15Å; D177-L181 WeakPolarHBondContact O-CD1 3.47Å; D177-L181 WeakPolarHBondContact O-CG 3.48Å
178V96.6Very high94.5Very high1 Ų128.8 Ų28.81%0.00615%0.152CC..Iπ-helixtrans-82.2-49.7-175.3-179.90000112.1L133 L150 L154 L173 F174 L181 V182L133-V178 HydrophobicContact CD1-CG2 4.06Å; L150-V178 HydrophobicContact CD2-CG1 4.24Å; L150-V178 HydrophobicContact CD2-CG2 3.62Å; L150-V178 HydrophobicContact CG-CG1 4.28Å; L150-V178 HydrophobicContact CG-CG2 3.95Å; L154-V178 HydrophobicContact CD1-CG2 3.96Å; L173-V178 PolarHBondContact O-N 2.8Å; F174-V178 HydrophobicContact CD2-CB 4.33Å; F174-V178 HydrophobicContact CD2-CG1 4.48Å; F174-V178 PolarHBondContact O-N 2.77Å; V178-L181 WeakPolarHBondContact O-CB 3.45Å; V178-L181 PolarHBondContact O-N 3.35Å; V178-V182 HydrophobicContact CG1-CG2 4.15Å; V178-V182 PolarHBondContact O-N 3.07Å; V178-V182 VanDerWaalsContact O-N 3.08Å
179L96.9Very high94.2Very high1 Ų139.8 Ų39.81%0.00519%0.193CC..Hα-helixtrans-57.2-44.8-175.3179.465.2000112.2F174 L181 V182 I183 Y198 A202 I263F174-L179 HydrophobicContact CE2-CB 4.26Å; F174-L179 HydrophobicContact CE2-CD1 4.49Å; F174-L179 HydrophobicContact CZ-CB 4.39Å; F174-L179 HydrophobicContact CZ-CD1 4.2Å; F174-L179 VanDerWaalsContact O-CB 3.26Å; F174-L179 WeakPolarHBondContact O-CB 3.41Å; F174-L179 PolarHBondContact O-N 2.77Å; L179-L181 VanDerWaalsContact C-N 3.28Å; L179-L181 PolarHBondContact O-N 2.95Å; L179-V182 PolarHBondContact O-N 3.38Å; L179-V182 VanDerWaalsContact O-N 3.15Å; L179-I183 HydrophobicContact CD1-CG2 3.58Å; L179-I183 HydrophobicContact CG-CD1 4.46Å; L179-I183 HydrophobicContact CG-CG2 4.21Å; L179-I183 WeakPolarHBondContact O-CG1 3.31Å; L179-I183 PolarHBondContact O-N 3.29Å; L179-Y198 HydrophobicContact CD1-CD2 3.58Å; L179-Y198 HydrophobicContact CD1-CE2 4.48Å; L179-Y198 HydrophobicContact CD1-CG 3.92Å; L179-A202 HydrophobicContact CD2-CB 4.04Å; L179-I263 HydrophobicContact CD2-CD1 4.32Å; L179-I263 HydrophobicContact CD2-CG2 4.28Å
180P95.7Very high94.1Very high34 Ų3440.5 Ų40.522%0.22120%0.196CC..Hα-helixtrans-59.6-35.1175.8-25.737.1000113.4V175 N184V175-P180 WeakPolarHBondContact O-CD 3.17Å; P180-N184 VanDerWaalsContact O-CB 3.26Å; P180-N184 WeakPolarHBondContact O-CB 3.2Å; P180-N184 PolarHBondContact O-N 3.3Å; P180-N184 PolarHBondContact O-ND2 2.77Å
181L95.8Very high94Very high46 Ų4644 Ų4424%0.24122%0.219CC..Hα-helixtrans-68.2-42.6176.2-61.2172.6000110.8L133 L136 K137 V143 D177 V178 L179 N185L133-L181 HydrophobicContact CD1-CD1 3.68Å; L136-L181 HydrophobicContact CB-CD1 3.9Å; K137-L181 HydrophobicContact CG-CD1 3.9Å; K137-L181 HydrophobicContact CG-CD2 4.37Å; V143-L181 HydrophobicContact CG2-CB 4.48Å; D177-L181 WeakPolarHBondContact O-CD1 3.47Å; D177-L181 WeakPolarHBondContact O-CG 3.48Å; V178-L181 WeakPolarHBondContact O-CB 3.45Å; V178-L181 PolarHBondContact O-N 3.35Å; L179-L181 VanDerWaalsContact C-N 3.28Å; L179-L181 PolarHBondContact O-N 2.95Å; L181-N185 WeakPolarHBondContact O-CB 3.36Å; L181-N185 PolarHBondContact O-N 2.79Å
182V95.9Very high93.8Very high2 Ų245.9 Ų45.91%0.01224%0.235CC..Hα-helixtrans-66.7-48.3-178.5168.30000111.9V143 V148 V178 L179 M188 L190V143-V182 HydrophobicContact CG1-CG2 4.31Å; V148-V182 HydrophobicContact CG2-CG1 4.25Å; V178-V182 HydrophobicContact CG1-CG2 4.15Å; V178-V182 PolarHBondContact O-N 3.07Å; V178-V182 VanDerWaalsContact O-N 3.08Å; L179-V182 PolarHBondContact O-N 3.38Å; L179-V182 VanDerWaalsContact O-N 3.15Å; V182-M188 HydrophobicContact CG1-CE 4.42Å; V182-M188 HydrophobicContact CG1-CG 4.49Å; V182-L190 HydrophobicContact CG1-CD1 3.66Å
183I94.1Very high93.6Very high1 Ų149.1 Ų49.11%0.00526%0.26CS..Hα-helixtrans-79.2-18.8-175.669.5-177.2000113.7L179 I263 V266 V267 R270L179-I183 HydrophobicContact CD1-CG2 3.58Å; L179-I183 HydrophobicContact CG-CD1 4.46Å; L179-I183 HydrophobicContact CG-CG2 4.21Å; L179-I183 WeakPolarHBondContact O-CG1 3.31Å; L179-I183 PolarHBondContact O-N 3.29Å; I183-I263 HydrophobicContact CD1-CB 4.35Å; I183-I263 HydrophobicContact CD1-CG1 4.17Å; I183-I263 HydrophobicContact CD1-CG2 4.07Å; I183-V266 HydrophobicContact CB-CG1 4.06Å; I183-V266 HydrophobicContact CD1-CB 4.16Å; I183-V266 HydrophobicContact CD1-CG1 4.19Å; I183-V266 HydrophobicContact CG1-CB 4.4Å; I183-V266 HydrophobicContact CG1-CG1 3.89Å; I183-V266 WeakPolarHBondContact O-CG1 3.37Å; I183-V267 HydrophobicContact CD1-CG2 4.4Å; I183-V267 HydrophobicContact CG2-CG2 4.39Å; I183-R270 PolarHBondContact O-NE 2.87Å; I183-R270 PolarHBondContact O-NH2 2.99Å
184N93.4Very high93.6Very high94 Ų9450.2 Ų50.250%0.50327%0.266SS..Hα-helixtrans-91.6-12.1176.6-72.3-58.6000113.1P180 M186 V266P180-N184 VanDerWaalsContact O-CB 3.26Å; P180-N184 WeakPolarHBondContact O-CB 3.2Å; P180-N184 PolarHBondContact O-N 3.3Å; P180-N184 PolarHBondContact O-ND2 2.77Å; N184-M186 PolarHBondContact O-N 2.76Å; N184-V266 WeakPolarHBondContact OD1-CG2 3.46Å
185N92.4Very high93.4Very high19 Ų1950.5 Ų50.510%0.10227%0.268CS..  trans-77.6110179.2-175.5-57000111.3P140 V143 L181 D187 M188 R270P140-N185 PolarHBondContact O-ND2 2.84Å; P140-N185 VanDerWaalsContact O-ND2 3.12Å; V143-N185 HydrophobicContact CG1-CB 4.07Å; L181-N185 WeakPolarHBondContact O-CB 3.36Å; L181-N185 PolarHBondContact O-N 2.79Å; N185-D187 VanDerWaalsContact C-N 3.25Å; N185-D187 PolarHBondContact O-N 2.96Å; N185-D187 WeakPolarHBondContact OD1-CB 3.47Å; N185-D187 PolarHBondContact OD1-N 2.63Å; N185-M188 HydrophobicContact CB-CB 4.21Å; N185-M188 VanDerWaalsContact O-CB 3.29Å; N185-M188 WeakPolarHBondContact O-CB 3.46Å; N185-M188 PolarHBondContact O-N 2.85Å; N185-M188 VanDerWaalsContact O-N 3.13Å; N185-M188 PolarHBondContact OD1-N 3.02Å; N185-R270 PolarHBondContact O-NH1 2.92Å; N185-R270 VanDerWaalsContact O-NH1 3.14Å; N185-R270 PolarHBondContact O-NH2 3.36Å
186M86.4Confident93.3Very high159 Ų15952.3 Ų52.378%0.78328%0.276SS*.THydrogen-bonded Turntrans-65.9-22.5-173.6-67.1-58.4-64.300114.5N184 M188N184-M186 PolarHBondContact O-N 2.76Å; M186-M188 VanDerWaalsContact C-N 3.3Å
187D90.1Very high93.2Very high125 Ų12555.7 Ų55.767%0.66829%0.29SS*.THydrogen-bonded Turntrans-80.2-17.5177.8-57.3-46.7000112V144 N185 R189V144-D187 HydrophobicContact CG2-CB 3.97Å; N185-D187 VanDerWaalsContact C-N 3.25Å; N185-D187 PolarHBondContact O-N 2.96Å; N185-D187 WeakPolarHBondContact OD1-CB 3.47Å; N185-D187 PolarHBondContact OD1-N 2.63Å; D187-R189 PolarHBondContact O-N 2.8Å
188M90.3Very high93.3Very high16 Ų1654.2 Ų54.28%0.07928%0.281CS..  trans-74.8117.8178.2-173.970.379.900111.8V143 V148 V182 N185 M186 L190 R270V143-M188 HydrophobicContact CG1-CE 4.12Å; V143-M188 WeakPolarHBondContact O-CE 3.28Å; V148-M188 HydrophobicContact CG2-CE 3.92Å; V148-M188 HydrophobicContact CG2-SD 3.96Å; V182-M188 HydrophobicContact CG1-CE 4.42Å; V182-M188 HydrophobicContact CG1-CG 4.49Å; N185-M188 HydrophobicContact CB-CB 4.21Å; N185-M188 VanDerWaalsContact O-CB 3.29Å; N185-M188 WeakPolarHBondContact O-CB 3.46Å; N185-M188 PolarHBondContact O-N 2.85Å; N185-M188 VanDerWaalsContact O-N 3.13Å; N185-M188 PolarHBondContact OD1-N 3.02Å; M186-M188 VanDerWaalsContact C-N 3.3Å; M188-L190 HydrophobicContact CG-CD1 4.18Å; M188-L190 HydrophobicContact CG-CD2 3.69Å; M188-L190 HydrophobicContact CG-CG 3.71Å; M188-L190 HydrophobicContact SD-CD2 3.89Å; M188-R270 PolarHBondContact O-NH1 3.33Å
189R89Confident93.3Very high240 Ų24054.2 Ų54.291%0.90628%0.281SS*.  trans-101.5104.8173.9-63.4-174.7-177.4-1791110.8D187D187-R189 PolarHBondContact O-N 2.8Å
190L91.8Very high93.3Very high26 Ų2656.3 Ų56.314%0.13629%0.292CS..  trans-107.5141178.4-57.4176000111.1V148 V182 M188 L194 M195V148-L190 HydrophobicContact CG2-CD2 3.61Å; V182-L190 HydrophobicContact CG1-CD1 3.66Å; M188-L190 HydrophobicContact CG-CD1 4.18Å; M188-L190 HydrophobicContact CG-CD2 3.69Å; M188-L190 HydrophobicContact CG-CG 3.71Å; M188-L190 HydrophobicContact SD-CD2 3.89Å; L190-L194 HydrophobicContact CD2-CD2 4.26Å; L190-M195 HydrophobicContact CB-CG 3.82Å; L190-M195 HydrophobicContact CB-SD 4.18Å; L190-M195 HydrophobicContact CD1-CG 4.13Å; L190-M195 WeakPolarHBondContact O-CE 3.31Å
191P93.3Very high93.4Very high78 Ų7857.7 Ų57.751%0.50630%0.295SS..  trans-60.9143.8168.1-21.533.1000111.7S193 L194 M195P191-S193 VanDerWaalsContact C-N 3.25Å; P191-S193 PolarHBondContact O-N 2.83Å; P191-L194 HydrophobicContact CB-CB 4.44Å; P191-L194 PolarHBondContact O-N 3.08Å; P191-L194 VanDerWaalsContact O-N 3.07Å; P191-M195 PolarHBondContact O-N 3.31Å; P191-M195 VanDerWaalsContact O-N 3.14Å
192A91.3Very high93.5Very high44 Ų4455.5 Ų55.536%0.36428%0.283SS..Hα-helixtrans-57.9-37.2178.100000112.8L194 M195 Q196A192-L194 VanDerWaalsContact C-N 3.32Å; A192-L194 PolarHBondContact O-N 3.27Å; A192-M195 HydrophobicContact CB-CE 4.5Å; A192-M195 PolarHBondContact O-N 3.29Å; A192-Q196 WeakPolarHBondContact O-CB 3.12Å; A192-Q196 VanDerWaalsContact O-CG 3.26Å; A192-Q196 WeakPolarHBondContact O-CG 3.46Å; A192-Q196 PolarHBondContact O-N 3.29Å
193S92.6Very high93.6Very high86 Ų8655.5 Ų55.560%0.60128%0.283SS*.Hα-helixtrans-61.4-38.3176.152.70000112.9P191 Q196 K197P191-S193 VanDerWaalsContact C-N 3.25Å; P191-S193 PolarHBondContact O-N 2.83Å; S193-Q196 PolarHBondContact O-N 3.47Å; S193-K197 PolarHBondContact O-N 2.96Å
194L94.8Very high93.7Very high35 Ų3556.3 Ų56.318%0.18329%0.287CS..Hα-helixtrans-70.5-41.6177.1-173.960.5000111.1V148 L190 P191 A192 Q196 K197 Y198V148-L194 HydrophobicContact CG1-CD2 4.44Å; L190-L194 HydrophobicContact CD2-CD2 4.26Å; P191-L194 HydrophobicContact CB-CB 4.44Å; P191-L194 PolarHBondContact O-N 3.08Å; P191-L194 VanDerWaalsContact O-N 3.07Å; A192-L194 VanDerWaalsContact C-N 3.32Å; A192-L194 PolarHBondContact O-N 3.27Å; L194-Q196 VanDerWaalsContact C-N 3.3Å; L194-Q196 PolarHBondContact O-N 2.91Å; L194-K197 HydrophobicContact CD1-CD 4.1Å; L194-K197 WeakPolarHBondContact O-CB 3.5Å; L194-K197 PolarHBondContact O-N 3.42Å; L194-Y198 HydrophobicContact CD1-CD1 4.27Å; L194-Y198 HydrophobicContact CD1-CE1 3.62Å; L194-Y198 HydrophobicContact CD1-CE2 4.17Å; L194-Y198 HydrophobicContact CD2-CE2 4.17Å; L194-Y198 HydrophobicContact CG-CD2 4.36Å; L194-Y198 HydrophobicContact CG-CE1 4.19Å; L194-Y198 HydrophobicContact CG-CE2 3.82Å; L194-Y198 PolarHBondContact O-N 2.86Å
195M93.9Very high93.9Very high7 Ų751.9 Ų51.93%0.03426%0.263CS..Hα-helixtrans-62.2-39.5174.7-66.8-171.3-77.700111.8L190 P191 A192 Y198 I199 V267 R270L190-M195 HydrophobicContact CB-CG 3.82Å; L190-M195 HydrophobicContact CB-SD 4.18Å; L190-M195 HydrophobicContact CD1-CG 4.13Å; L190-M195 WeakPolarHBondContact O-CE 3.31Å; P191-M195 PolarHBondContact O-N 3.31Å; P191-M195 VanDerWaalsContact O-N 3.14Å; A192-M195 HydrophobicContact CB-CE 4.5Å; A192-M195 PolarHBondContact O-N 3.29Å; M195-Y198 PolarHBondContact O-N 3.42Å; M195-I199 WeakPolarHBondContact O-CG2 3.49Å; M195-I199 PolarHBondContact O-N 3.34Å; M195-V267 HydrophobicContact CB-CG1 4Å; M195-R270 HydrophobicContact CE-CB 3.87Å; M195-R270 HydrophobicContact SD-CB 3.5Å; M195-R270 VanDerWaalsContact SD-CB 3.5Å; M195-R270 HydrophobicContact SD-CG 4.35Å
196Q93.5Very high94.1Very high39 Ų3951 Ų5118%0.18226%0.259CS..Hα-helixtrans-64.9-38.9173.1-71.9173.912.500112.8A192 S193 L194 Y198 I199 L200 W273 I313A192-Q196 WeakPolarHBondContact O-CB 3.12Å; A192-Q196 VanDerWaalsContact O-CG 3.26Å; A192-Q196 WeakPolarHBondContact O-CG 3.46Å; A192-Q196 PolarHBondContact O-N 3.29Å; S193-Q196 PolarHBondContact O-N 3.47Å; L194-Q196 VanDerWaalsContact C-N 3.3Å; L194-Q196 PolarHBondContact O-N 2.91Å; Q196-Y198 VanDerWaalsContact C-N 3.34Å; Q196-Y198 PolarHBondContact O-N 3.48Å; Q196-I199 WeakPolarHBondContact O-CG2 3.47Å; Q196-L200 VanDerWaalsContact O-CG 3.32Å; Q196-L200 WeakPolarHBondContact O-CG 3.3Å; Q196-L200 PolarHBondContact O-N 3.18Å; Q196-W273 HydrophobicContact CG-CZ2 4.49Å; Q196-I313 HydrophobicContact CB-CD1 4.26Å; Q196-I313 HydrophobicContact CG-CD1 3.98Å
197K95.4Very high94.5Very high83 Ų8343.5 Ų43.536%0.36122%0.222SC..Hα-helixtrans-59.4-46.3171.3178-170.2171.2-162.30110.5E152 S193 L194 L200 K201E152-K197 IonicContact OE1-NZ 3.35Å; E152-K197 PolarHBondContact OE1-NZ 3.27Å; E152-K197 IonicContact OE2-NZ 3.61Å; E152-K197 PolarHBondContact OE2-NZ 3.46Å; S193-K197 PolarHBondContact O-N 2.96Å; L194-K197 HydrophobicContact CD1-CD 4.1Å; L194-K197 WeakPolarHBondContact O-CB 3.5Å; L194-K197 PolarHBondContact O-N 3.42Å; K197-L200 PolarHBondContact O-N 3.49Å; K197-K201 VanDerWaalsContact O-CG 3.32Å; K197-K201 WeakPolarHBondContact O-CG 3.36Å; K197-K201 PolarHBondContact O-N 3.33Å
198Y96.6Very high94.7Very high2 Ų238 Ų381%0.00820%0.195CC..Hα-helixtrans-68.6-41.5-176.4-68.1-12.4000113.7E152 L155 F174 L179 L194 M195 Q196 L200 K201 A202E152-Y198 VanDerWaalsContact OE1-CE1 3.25Å; E152-Y198 WeakPolarHBondContact OE1-CE1 3.33Å; E152-Y198 PolarHBondContact OE1-OH 3.25Å; L155-Y198 HydrophobicContact CD1-CE1 4.36Å; F174-Y198 HydrophobicContact CE1-CD1 4.16Å; F174-Y198 HydrophobicContact CE2-CE1 4.41Å; F174-Y198 AromaticContact CZ-CD1 3.53Å; F174-Y198 HydrophobicContact CZ-CD1 3.53Å; F174-Y198 HydrophobicContact CZ-CD2 4.21Å; F174-Y198 AromaticContact CZ-CE1 3.74Å; F174-Y198 HydrophobicContact CZ-CE1 3.74Å; F174-Y198 HydrophobicContact CZ-CE2 4.4Å; F174-Y198 AromaticContact CZ-CG 3.77Å; F174-Y198 HydrophobicContact CZ-CG 3.77Å; L179-Y198 HydrophobicContact CD1-CD2 3.58Å; L179-Y198 HydrophobicContact CD1-CE2 4.48Å; L179-Y198 HydrophobicContact CD1-CG 3.92Å; L194-Y198 HydrophobicContact CD1-CD1 4.27Å; L194-Y198 HydrophobicContact CD1-CE1 3.62Å; L194-Y198 HydrophobicContact CD1-CE2 4.17Å; L194-Y198 HydrophobicContact CD2-CE2 4.17Å; L194-Y198 HydrophobicContact CG-CD2 4.36Å; L194-Y198 HydrophobicContact CG-CE1 4.19Å; L194-Y198 HydrophobicContact CG-CE2 3.82Å; L194-Y198 PolarHBondContact O-N 2.86Å; M195-Y198 PolarHBondContact O-N 3.42Å; Q196-Y198 VanDerWaalsContact C-N 3.34Å; Q196-Y198 PolarHBondContact O-N 3.48Å; Y198-L200 VanDerWaalsContact C-N 3.32Å; Y198-L200 PolarHBondContact O-N 2.95Å; Y198-K201 PolarHBondContact O-N 3.06Å; Y198-A202 WeakPolarHBondContact O-CB 3.41Å; Y198-A202 PolarHBondContact O-N 3.47Å
199I95.9Very high94.9Very high1 Ų138.1 Ų38.11%0.00520%0.195CC..Hα-helixtrans-63.3-37.5174.9-171.7166.1000111.9M195 Q196 A202 A203 I263 V264 V267 W273 I313M195-I199 WeakPolarHBondContact O-CG2 3.49Å; M195-I199 PolarHBondContact O-N 3.34Å; Q196-I199 WeakPolarHBondContact O-CG2 3.47Å; I199-A202 PolarHBondContact O-N 3.2Å; I199-A203 VanDerWaalsContact O-CB 3.29Å; I199-A203 WeakPolarHBondContact O-CB 3.3Å; I199-A203 PolarHBondContact O-N 3.19Å; I199-I263 HydrophobicContact CG1-CG2 4.43Å; I199-V264 HydrophobicContact CD1-CB 3.98Å; I199-V264 HydrophobicContact CD1-CG1 4.18Å; I199-V264 HydrophobicContact CD1-CG2 3.61Å; I199-V264 HydrophobicContact CG1-CG2 4.18Å; I199-V267 HydrophobicContact CB-CG1 4.49Å; I199-V267 HydrophobicContact CD1-CB 4.24Å; I199-V267 HydrophobicContact CD1-CG1 4.16Å; I199-W273 HydrophobicContact CD1-CH2 4.25Å; I199-W273 HydrophobicContact CD1-CZ3 4.41Å; I199-I313 HydrophobicContact CD1-CG2 4.06Å; I199-I313 HydrophobicContact CG1-CG2 4.37Å; I199-I313 HydrophobicContact CG2-CD1 4.18Å; I199-I313 HydrophobicContact CG2-CG2 4.38Å
200L97.1Very high95Very high45 Ų4528 Ų2824%0.23616%0.159CC..Hα-helixtrans-67.4-40.8174.8-70.4174.4000111.7Q196 K197 Y198 A202 A203 E204 I313 I439 W443Q196-L200 VanDerWaalsContact O-CG 3.32Å; Q196-L200 WeakPolarHBondContact O-CG 3.3Å; Q196-L200 PolarHBondContact O-N 3.18Å; K197-L200 PolarHBondContact O-N 3.49Å; Y198-L200 VanDerWaalsContact C-N 3.32Å; Y198-L200 PolarHBondContact O-N 2.95Å; L200-A202 VanDerWaalsContact C-N 3.32Å; L200-A202 PolarHBondContact O-N 3.08Å; L200-A203 PolarHBondContact O-N 3.31Å; L200-E204 WeakPolarHBondContact O-CB 3.44Å; L200-E204 PolarHBondContact O-N 3.47Å; L200-I313 HydrophobicContact CD2-CG1 4.21Å; L200-I439 HydrophobicContact CD1-CG1 4.48Å; L200-I439 HydrophobicContact CD2-CD1 3.81Å; L200-I439 HydrophobicContact CD2-CG1 4.17Å; L200-W443 HydrophobicContact CB-CZ2 4.32Å; L200-W443 HydrophobicContact CD2-CZ2 4.01Å; L200-W443 VanDerWaalsContact O-CZ2 3.27Å; L200-W443 WeakPolarHBondContact O-CZ2 3.29Å
201K97.4Very high95Very high64 Ų6427.7 Ų27.728%0.27816%0.158SC..Hα-helixtrans-64.1-36.2174.4-71.4-73.2177-1730112.7L155 R171 F174 K197 Y198 E204 F205L155-K201 HydrophobicContact CD2-CD 4.49Å; R171-K201 PolarHBondContact NH1-O 3.15Å; F174-K201 HydrophobicContact CE1-CB 4.33Å; K197-K201 VanDerWaalsContact O-CG 3.32Å; K197-K201 WeakPolarHBondContact O-CG 3.36Å; K197-K201 PolarHBondContact O-N 3.33Å; Y198-K201 PolarHBondContact O-N 3.06Å; K201-E204 IonicContact NZ-OE2 2.7Å; K201-F205 PolarHBondContact O-N 3.15Å
202A98.1Very high94.6Very high0 Ų026.5 Ų26.50%014%0.144CC..Hα-helixtrans-68.3-46.8173.800000111.8V175 L179 Y198 I199 L200 E204 F205 Y206 L260 I263V175-A202 HydrophobicContact CG1-CB 3.59Å; V175-A202 HydrophobicContact CG2-CB 4.18Å; L179-A202 HydrophobicContact CD2-CB 4.04Å; Y198-A202 WeakPolarHBondContact O-CB 3.41Å; Y198-A202 PolarHBondContact O-N 3.47Å; I199-A202 PolarHBondContact O-N 3.2Å; L200-A202 VanDerWaalsContact C-N 3.32Å; L200-A202 PolarHBondContact O-N 3.08Å; A202-E204 PolarHBondContact O-N 3.45Å; A202-F205 WeakPolarHBondContact O-CB 3.45Å; A202-F205 PolarHBondContact O-N 3.32Å; A202-Y206 HydrophobicContact CB-CD2 4.39Å; A202-Y206 HydrophobicContact CB-CE2 4.32Å; A202-Y206 WeakPolarHBondContact O-CD2 3.46Å; A202-Y206 PolarHBondContact O-N 3.06Å; A202-L260 HydrophobicContact CB-CD1 4.42Å; A202-I263 HydrophobicContact CB-CD1 4.13Å
203A97.8Very high93.9Very high1 Ų126.2 Ų26.21%0.00815%0.146CC..Hα-helixtrans-58.7-48.7177.800000111.9I199 L200 F205 Y206 I207 L260 L317 W443I199-A203 VanDerWaalsContact O-CB 3.29Å; I199-A203 WeakPolarHBondContact O-CB 3.3Å; I199-A203 PolarHBondContact O-N 3.19Å; L200-A203 PolarHBondContact O-N 3.31Å; A203-F205 VanDerWaalsContact C-N 3.29Å; A203-F205 PolarHBondContact O-N 3Å; A203-Y206 PolarHBondContact O-N 3.39Å; A203-I207 HydrophobicContact CB-CD1 4.38Å; A203-I207 VanDerWaalsContact O-CB 3.26Å; A203-I207 WeakPolarHBondContact O-CB 3.3Å; A203-I207 WeakPolarHBondContact O-CD1 3.22Å; A203-I207 WeakPolarHBondContact O-CG1 3.3Å; A203-I207 PolarHBondContact O-N 2.82Å; A203-L260 HydrophobicContact CB-CD1 4.09Å; A203-L260 HydrophobicContact CB-CD2 4.26Å; A203-L317 HydrophobicContact CB-CD2 3.57Å; A203-W443 HydrophobicContact CB-CH2 3.64Å; A203-W443 HydrophobicContact CB-CZ2 3.99Å
204E96.6Very high92.6Very high19 Ų1925.6 Ų25.69%0.08914%0.14CC..Hα-helixtrans-55.5-43.9176.2-170.6-175.6-148.500111.6P166 R171 L200 K201 A202 G208 W443P166-E204 HydrophobicContact CB-CG 3.69Å; P166-E204 HydrophobicContact CG-CG 3.91Å; R171-E204 IonicContact CZ-OE2 2.72Å; R171-E204 IonicContact NH1-OE2 3.08Å; R171-E204 PolarHBondContact NH1-OE2 3.39Å; R171-E204 IonicContact NH2-OE2 3.17Å; L200-E204 WeakPolarHBondContact O-CB 3.44Å; L200-E204 PolarHBondContact O-N 3.47Å; K201-E204 IonicContact NZ-OE2 2.7Å; A202-E204 PolarHBondContact O-N 3.45Å; E204-G208 WeakPolarHBondContact O-CA 3.27Å; E204-G208 PolarHBondContact O-N 3.27Å; E204-W443 HydrophobicContact CB-CD2 4.19Å; E204-W443 HydrophobicContact CB-CG 4.49Å; E204-W443 HydrophobicContact CB-CZ2 3.98Å; E204-W443 HydrophobicContact CG-CD2 4.18Å; E204-W443 HydrophobicContact CG-CG 4.04Å; E204-W443 VanDerWaalsContact OE1-CD1 3.31Å
205F96.9Very high90.8Very high0 Ų026.8 Ų26.80%015%0.151CC..Hα-helixtrans-64.3-53.6176.7173.2-94000112.5P166 V167 R171 K172 V175 K201 A202 A203 G208 Y209 V253P166-F205 WeakPolarHBondContact O-CD2 3.46Å; V167-F205 HydrophobicContact CB-CE2 4.39Å; V167-F205 HydrophobicContact CG1-CD2 4.06Å; V167-F205 HydrophobicContact CG1-CE2 3.57Å; V167-F205 HydrophobicContact CG1-CZ 4.11Å; R171-F205 HydrophobicContact CB-CD2 4.02Å; R171-F205 HydrophobicContact CG-CB 3.7Å; R171-F205 HydrophobicContact CG-CD2 3.6Å; R171-F205 HydrophobicContact CG-CG 3.94Å; K172-F205 HydrophobicContact CB-CE2 3.63Å; K172-F205 HydrophobicContact CB-CZ 3.68Å; K172-F205 HydrophobicContact CG-CE1 4.43Å; K172-F205 HydrophobicContact CG-CE2 4.08Å; K172-F205 HydrophobicContact CG-CZ 3.58Å; V175-F205 HydrophobicContact CB-CD1 4.25Å; V175-F205 HydrophobicContact CB-CG 4.44Å; V175-F205 HydrophobicContact CG1-CD1 3.98Å; V175-F205 HydrophobicContact CG1-CG 4.48Å; V175-F205 HydrophobicContact CG2-CB 4.21Å; V175-F205 HydrophobicContact CG2-CG 4.48Å; K201-F205 PolarHBondContact O-N 3.15Å; A202-F205 WeakPolarHBondContact O-CB 3.45Å; A202-F205 PolarHBondContact O-N 3.32Å; A203-F205 VanDerWaalsContact C-N 3.29Å; A203-F205 PolarHBondContact O-N 3Å; F205-G208 PolarHBondContact O-N 2.89Å; F205-Y209 HydrophobicContact CZ-CD2 4.29Å; F205-Y209 VanDerWaalsContact O-CB 3.32Å; F205-Y209 WeakPolarHBondContact O-CB 3.5Å; F205-Y209 PolarHBondContact O-N 3.25Å; F205-V253 HydrophobicContact CE1-CG2 4.23Å; F205-V253 HydrophobicContact CZ-CG2 4.26Å
206Y96.9Very high88.5Confident2 Ų231.4 Ų31.41%0.00818%0.184CC..Hα-helixtrans-68.8-40.3-174.8-73.2-65.4000112.1V175 A202 A203 Y209 V210 V253 P256 R259 L260 I263V175-Y206 HydrophobicContact CG1-CD2 3.92Å; V175-Y206 HydrophobicContact CG1-CE2 3.22Å; A202-Y206 HydrophobicContact CB-CD2 4.39Å; A202-Y206 HydrophobicContact CB-CE2 4.32Å; A202-Y206 WeakPolarHBondContact O-CD2 3.46Å; A202-Y206 PolarHBondContact O-N 3.06Å; A203-Y206 PolarHBondContact O-N 3.39Å; Y206-Y209 PolarHBondContact O-N 3.11Å; Y206-V210 WeakPolarHBondContact O-CG2 3.5Å; Y206-V210 PolarHBondContact O-N 3.23Å; Y206-V253 HydrophobicContact CD1-CG1 4.03Å; Y206-V253 HydrophobicContact CE1-CG1 3.61Å; Y206-P256 HydrophobicContact CD1-CB 3.87Å; Y206-R259 HydrophobicContact CE1-CB 3.93Å; Y206-R259 HydrophobicContact CE2-CB 4.46Å; Y206-L260 HydrophobicContact CD2-CB 3.99Å; Y206-L260 HydrophobicContact CD2-CD1 4.15Å; Y206-L260 HydrophobicContact CG-CB 4.42Å; Y206-I263 HydrophobicContact CE2-CD1 3.73Å
207I95.8Very high85.9Confident0 Ų035.7 Ų35.70%021%0.208CC..Hα-helixtrans-63.9-46.2174-64.8166.5000109.2A203 Y209 V210 T211 W257 L317 F320 W443 W448 W450A203-I207 HydrophobicContact CB-CD1 4.38Å; A203-I207 VanDerWaalsContact O-CB 3.26Å; A203-I207 WeakPolarHBondContact O-CB 3.3Å; A203-I207 WeakPolarHBondContact O-CD1 3.22Å; A203-I207 WeakPolarHBondContact O-CG1 3.3Å; A203-I207 PolarHBondContact O-N 2.82Å; I207-Y209 VanDerWaalsContact C-N 3.27Å; I207-Y209 PolarHBondContact O-N 3.33Å; I207-V210 WeakPolarHBondContact O-CG2 3.48Å; I207-V210 PolarHBondContact O-N 2.84Å; I207-T211 HydrophobicContact CG2-CG2 4.23Å; I207-T211 WeakPolarHBondContact O-CB 3.43Å; I207-T211 VanDerWaalsContact O-CG2 3.27Å; I207-T211 WeakPolarHBondContact O-CG2 3.39Å; I207-T211 PolarHBondContact O-N 3.2Å; I207-T211 PolarHBondContact O-OG1 3.03Å; I207-W257 HydrophobicContact CG1-CH2 3.82Å; I207-W257 HydrophobicContact CG1-CZ3 3.89Å; I207-L317 HydrophobicContact CD1-CD2 4.31Å; I207-F320 HydrophobicContact CD1-CB 3.79Å; I207-F320 HydrophobicContact CD1-CD2 3.6Å; I207-F320 HydrophobicContact CD1-CE2 4.5Å; I207-F320 HydrophobicContact CD1-CG 3.93Å; I207-F320 HydrophobicContact CG1-CB 4.43Å; I207-W443 HydrophobicContact CD1-CH2 4.18Å; I207-W443 HydrophobicContact CD1-CZ3 3.9Å; I207-W448 HydrophobicContact CG2-CH2 3.93Å; I207-W448 HydrophobicContact CG2-CZ3 3.98Å; I207-W450 HydrophobicContact CG2-CZ2 4.06Å
208G94.1Very high83.4Confident11 Ų1137.4 Ų37.411%0.11323%0.225CC..Hα-helixtrans-56.2-43.3174.100000111.8E204 F205 T211 R212E204-G208 WeakPolarHBondContact O-CA 3.27Å; E204-G208 PolarHBondContact O-N 3.27Å; F205-G208 PolarHBondContact O-N 2.89Å; G208-T211 PolarHBondContact O-N 3.02Å; G208-T211 PolarHBondContact O-OG1 3.26Å; G208-R212 VanDerWaalsContact O-CG 3.27Å; G208-R212 WeakPolarHBondContact O-CG 3.39Å; G208-R212 PolarHBondContact O-N 3.08Å
209Y93.3Very high80.5Confident18 Ų1846.2 Ų46.27%0.07127%0.266CS..Hα-helixtrans-64.1-46.3-178-175.3-89.4000112.4V167 F205 Y206 I207 R212 I243 S251 V253 P256V167-Y209 HydrophobicContact CG1-CD2 3.65Å; V167-Y209 HydrophobicContact CG1-CG 4.28Å; F205-Y209 HydrophobicContact CZ-CD2 4.29Å; F205-Y209 VanDerWaalsContact O-CB 3.32Å; F205-Y209 WeakPolarHBondContact O-CB 3.5Å; F205-Y209 PolarHBondContact O-N 3.25Å; Y206-Y209 PolarHBondContact O-N 3.11Å; I207-Y209 VanDerWaalsContact C-N 3.27Å; I207-Y209 PolarHBondContact O-N 3.33Å; Y209-R212 WeakPolarHBondContact O-CG 3.25Å; Y209-I243 HydrophobicContact CE2-CD1 4.25Å; Y209-S251 WeakPolarHBondContact CE2-O 3.23Å; Y209-S251 PolarHBondContact OH-O 3.4Å; Y209-V253 HydrophobicContact CD1-CB 4.19Å; Y209-V253 HydrophobicContact CD2-CG2 4.13Å; Y209-V253 HydrophobicContact CE1-CB 3.72Å; Y209-V253 HydrophobicContact CE1-CG2 4.23Å; Y209-V253 HydrophobicContact CE2-CB 4.18Å; Y209-V253 HydrophobicContact CE2-CG2 3.77Å; Y209-V253 PolarHBondContact OH-N 3.46Å; Y209-P256 HydrophobicContact CD1-CG 3.95Å; Y209-P256 HydrophobicContact CE1-CG 4.21Å
210V92Very high77.6Confident26 Ų2654.1 Ų54.116%0.15831%0.307CS..Hα-helixtrans-76-23.4-179.8-60.50000113.4Y206 I207 P256 W257 F324Y206-V210 WeakPolarHBondContact O-CG2 3.5Å; Y206-V210 PolarHBondContact O-N 3.23Å; I207-V210 WeakPolarHBondContact O-CG2 3.48Å; I207-V210 PolarHBondContact O-N 2.84Å; V210-P256 HydrophobicContact CG1-CB 3.51Å; V210-P256 HydrophobicContact CG1-CG 3.63Å; V210-W257 HydrophobicContact CG2-CH2 4.3Å; V210-W257 HydrophobicContact CG2-CZ2 3.54Å; V210-F324 HydrophobicContact CB-CE2 4.38Å; V210-F324 HydrophobicContact CB-CZ 4.17Å; V210-F324 HydrophobicContact CG2-CD2 4.48Å; V210-F324 HydrophobicContact CG2-CE2 4.31Å; V210-F324 HydrophobicContact CG2-CZ 4.38Å; V210-F324 WeakPolarHBondContact O-CE2 3.41Å
211T91.4Very high74.5Confident20 Ų2061 Ų6112%0.12334%0.339CS..THydrogen-bonded Turntrans-93.77.7-179.3590000113.6I207 G208 G213 F324 F335 W450I207-T211 HydrophobicContact CG2-CG2 4.23Å; I207-T211 WeakPolarHBondContact O-CB 3.43Å; I207-T211 VanDerWaalsContact O-CG2 3.27Å; I207-T211 WeakPolarHBondContact O-CG2 3.39Å; I207-T211 PolarHBondContact O-N 3.2Å; I207-T211 PolarHBondContact O-OG1 3.03Å; G208-T211 PolarHBondContact O-N 3.02Å; G208-T211 PolarHBondContact O-OG1 3.26Å; T211-G213 PolarHBondContact O-N 3.34Å; T211-F324 HydrophobicContact CG2-CD2 3.77Å; T211-F324 HydrophobicContact CG2-CE2 4.24Å; T211-F335 HydrophobicContact CG2-CE1 3.99Å; T211-W450 HydrophobicContact CG2-CD2 4.17Å; T211-W450 HydrophobicContact CG2-CZ2 3.85Å
212R85.7Confident71.3Confident53 Ų5362 Ų6220%0.237%0.366CS..PPolyproline II helixtrans-59.2130177.3-73178.3163.6-172.8-15.5111.1V167 G208 Y209 Q336V167-R212 VanDerWaalsContact CG1-NE 3.31Å; V167-R212 PolarHBondContact O-NH2 3.38Å; G208-R212 VanDerWaalsContact O-CG 3.27Å; G208-R212 WeakPolarHBondContact O-CG 3.39Å; G208-R212 PolarHBondContact O-N 3.08Å; Y209-R212 WeakPolarHBondContact O-CG 3.25Å; R212-Q336 PolarHBondContact O-N 2.9Å
213G75.7Confident68Low39 Ų3967.2 Ų67.240%0.40240%0.403SS..PPolyproline II helixtrans-71.4164.2170.400000112.4T211 S215 L334 Q336T211-G213 PolarHBondContact O-N 3.34Å; G213-S215 PolarHBondContact O-N 3.34Å; G213-L334 WeakPolarHBondContact CA-O 3.41Å; G213-Q336 PolarHBondContact O-OE1 3.28Å
214P65.8Low64.9Low73 Ų7375.7 Ų75.747%0.47444%0.442SS..PPolyproline II helixtrans-60.6127.1173.924.7-31.8000110.7
215S57.1Low61.7Low59 Ų5982.8 Ų82.841%0.41348%0.481SS..PPolyproline II helixtrans-63.2136.1176.1167.90000111.2G213 D217G213-S215 PolarHBondContact O-N 3.34Å; S215-D217 VanDerWaalsContact C-N 3.32Å; S215-D217 PolarHBondContact OG-N 2.68Å
216S45Very low58.4Low104 Ų10486 Ų8673%0.72752%0.515SS*.SBendtrans-78-6.7178.143.30000114.6V218S216-V218 PolarHBondContact O-N 3.35Å; S216-V218 VanDerWaalsContact O-N 3.13Å
217D40.2Very low55.5Low130 Ų13090.9 Ų90.970%0.69556%0.555SS**G310 helixtrans-76.3-0.6-167.7-73.3-31.2000115.8S215 Q219S215-D217 VanDerWaalsContact C-N 3.32Å; S215-D217 PolarHBondContact OG-N 2.68Å; D217-Q219 VanDerWaalsContact C-N 3.3Å; D217-Q219 PolarHBondContact O-N 2.53Å
218V42Very low52.4Low118 Ų11897.4 Ų97.472%0.71560%0.595SS**G310 helixtrans-82.5-3.6-176.2-172.30000113.2S216S216-V218 PolarHBondContact O-N 3.35Å; S216-V218 VanDerWaalsContact O-N 3.13Å
219Q35.7Very low49.5Very low188 Ų188104.9 Ų104.988%0.87963%0.632SS**G310 helixtrans-89.7-6.1-179.8-83.7-175.9-19.100116D217D217-Q219 VanDerWaalsContact C-N 3.3Å; D217-Q219 PolarHBondContact O-N 2.53Å
220L34.9Very low46.9Very low166 Ų166114.2 Ų114.287%0.86967%0.672SS**SBendtrans-109.56-173.9-85161.4000116.6
221Q32.1Very low43.8Very low191 Ų191118.2 Ų118.289%0.89370%0.701SS**  trans-124.365.9175.1-128162.19.400112.8
222G30.2Very low41.2Very low83 Ų83124.1 Ų124.186%0.85674%0.74SS**  trans-123.770.9164.500000110.6
223S28.5Very low38.4Very low110 Ų110124.3 Ų124.377%0.76976%0.759SS**  trans-123.9111.7161.342.80000109.8
224Q33.3Very low36.5Very low179 Ų179129.1 Ų129.184%0.83678%0.78SS**  trans12.7121159.3-62.3178.5-10.500118.5
225D29.6Very low34.8Very low169 Ų169131 Ų13190%0.90480%0.795SS**  -170.9143.9110.6-95.8-25.4000113.2
226G27.1Very low33.9Very low68 Ų68139.1 Ų139.170%0.70182%0.817SS**  trans93.486.7153.300000118.1T228G226-T228 PolarHBondContact O-N 3.16Å
227A36.6Very low33.3Very low104 Ų104137.7 Ų137.786%0.8682%0.818SS**  trans-59.5125.6162.300000111.7
228T30.6Very low33.4Very low136 Ų136135.8 Ų135.883%0.83482%0.815SS**  trans-155118.8153.517.40000111.7G226G226-T228 PolarHBondContact O-N 3.16Å
229L33.1Very low33.6Very low169 Ų169134.9 Ų134.989%0.88580%0.803SS**  trans22.3121156.7-65.2160.1000120.6
230K37.4Very low34.6Very low213 Ų213134 Ų13493%0.92679%0.791SS**  trans-61.5137176.4-64.4174.2175.6177.30113.4
231S28Very low36.1Very low110 Ų110128.8 Ų128.877%0.76976%0.762SS**  trans-116.1137.3154.6-61.80000109G233S231-G233 PolarHBondContact O-N 3.18Å; S231-G233 VanDerWaalsContact O-N 3.1Å
232P36.1Very low38.6Very low144 Ų144123.3 Ų123.394%0.93574%0.741SS**  trans-83.586.1175.632.4-28.8000109.3
233G28.1Very low41.4Very low57 Ų57119.4 Ų119.459%0.58870%0.701SS**  trans-133119.916700000107.6S231 S235S231-G233 PolarHBondContact O-N 3.18Å; S231-G233 VanDerWaalsContact O-N 3.1Å; G233-S235 VanDerWaalsContact C-N 3.31Å; G233-S235 PolarHBondContact O-N 3.23Å
234V36.2Very low44.1Very low141 Ų141121.2 Ų121.286%0.85570%0.702SS**  trans-60.792178.5-179.90000108.9R236V234-R236 VanDerWaalsContact C-N 3.29Å; V234-R236 HydrophobicContact CG1-CG 4.34Å; V234-R236 PolarHBondContact O-N 3.13Å
235S29.8Very low46.5Very low113 Ų113115.7 Ų115.779%0.7969%0.693SS**  trans-73.290.7165.253.30000107.3G233 G237G233-S235 VanDerWaalsContact C-N 3.31Å; G233-S235 PolarHBondContact O-N 3.23Å; S235-G237 VanDerWaalsContact C-N 3.29Å; S235-G237 PolarHBondContact O-N 2.72Å
236R36.5Very low49.2Very low229 Ų229108.7 Ų108.786%0.86466%0.655SS**  trans-54.998.7159.7-76.1-179.6173.9176.1-2.4106.9V234 S238V234-R236 VanDerWaalsContact C-N 3.29Å; V234-R236 HydrophobicContact CG1-CG 4.34Å; V234-R236 PolarHBondContact O-N 3.13Å; R236-S238 PolarHBondContact O-N 3.48Å
237G34.4Very low52.1Low74 Ų74108.5 Ų108.576%0.76364%0.643SS**  trans-6783.3170.600000108.8S235 Q239S235-G237 VanDerWaalsContact C-N 3.29Å; S235-G237 PolarHBondContact O-N 2.72Å; G237-Q239 PolarHBondContact O-N 2.64Å; G237-Q239 VanDerWaalsContact O-N 3.08Å
238S40.7Very low54.4Low89 Ų89107.4 Ų107.462%0.62262%0.621SS**  trans-62110.5165.2-167.30000105.7R236 R240R236-S238 PolarHBondContact O-N 3.48Å; S238-R240 WeakPolarHBondContact O-CG 3.35Å; S238-R240 PolarHBondContact O-N 2.8Å
239Q47.3Very low57Low99 Ų99107.9 Ų107.946%0.46361%0.611SS.*  trans-55.8123.3166.8-71.1-172.7-11.900107.1G237G237-Q239 PolarHBondContact O-N 2.64Å; G237-Q239 VanDerWaalsContact O-N 3.08Å
240R57.3Low59.5Low169 Ų169102 Ų10264%0.63858%0.584SS**  trans-92.2122.7-168.1-73162.5174.9-149.811109.4S238 V242 E248S238-R240 WeakPolarHBondContact O-CG 3.35Å; S238-R240 PolarHBondContact O-N 2.8Å; R240-V242 PolarHBondContact O-N 3.13Å; R240-E248 HydrophobicContact CB-CG 4.3Å; R240-E248 VanDerWaalsContact CD-CD 3.49Å; R240-E248 WeakPolarHBondContact CD-OE1 3.38Å; R240-E248 WeakPolarHBondContact CG-OE1 3.15Å; R240-E248 IonicContact CZ-OE1 2.69Å; R240-E248 IonicContact CZ-OE2 3.22Å; R240-E248 IonicContact NE-OE1 2.69Å; R240-E248 PolarHBondContact NE-OE1 3.08Å; R240-E248 IonicContact NH1-OE1 3.86Å; R240-E248 PolarHBondContact NH1-OE1 3.13Å; R240-E248 IonicContact NH1-OE2 2.7Å; R240-E248 PolarHBondContact NH1-OE2 3.48Å
241F66Low62Low57 Ų5791.8 Ų91.825%0.2554%0.54CS..  trans-77.5105.8179.3-61.1-87.6000109.5S251 Q336F241-S251 WeakPolarHBondContact O-CB 3.44Å; F241-Q336 HydrophobicContact CE1-CB 3.92Å; F241-Q336 HydrophobicContact CE1-CG 3.87Å; F241-Q336 VanDerWaalsContact CE1-OE1 3.28Å; F241-Q336 HydrophobicContact CZ-CB 4.19Å; F241-Q336 HydrophobicContact CZ-CG 4Å
242V83.6Confident65Low76 Ų7690.8 Ų90.846%0.46153%0.528SS..  trans-111.8124171.2-171.60000108.3R240 L246 E248R240-V242 PolarHBondContact O-N 3.13Å; V242-L246 WeakPolarHBondContact CG1-O 3.08Å; V242-E248 HydrophobicContact CG2-CB 4.21Å; V242-E248 HydrophobicContact CG2-CG 4.27Å
243I88.8Confident67.6Low2 Ų284.6 Ų84.61%0.0149%0.488CS..  trans-85.9129170.7-63.5175.2000106.5V167 N168 C169 K172 Y209 G245 L246 S251V167-I243 HydrophobicContact CG1-CD1 4.46Å; N168-I243 VanDerWaalsContact C-CG2 3.47Å; C169-I243 HydrophobicContact CB-CG2 4.44Å; K172-I243 HydrophobicContact CB-CD1 4.17Å; K172-I243 HydrophobicContact CD-CD1 4.11Å; K172-I243 HydrophobicContact CG-CD1 3.97Å; Y209-I243 HydrophobicContact CE2-CD1 4.25Å; I243-G245 PolarHBondContact O-N 2.95Å; I243-L246 HydrophobicContact CB-CB 4.45Å; I243-L246 HydrophobicContact CB-CD1 4.13Å; I243-L246 HydrophobicContact CD1-CD1 4.44Å; I243-L246 HydrophobicContact CG2-CD1 4.15Å; I243-L246 WeakPolarHBondContact O-CB 3.4Å; I243-L246 PolarHBondContact O-N 3.17Å; I243-S251 PolarHBondContact N-OG 3.23Å
244D86.3Confident70.6Confident147 Ų14784.7 Ų84.779%0.78648%0.484SS*.THydrogen-bonded Turntrans-52.7133.6178.9-66-31.6000111.6C169 L246C169-D244 WeakPolarHBondContact CB-O 3.33Å; D244-L246 VanDerWaalsContact C-N 3.33Å
245G83.2Confident73.2Confident63 Ų6384.5 Ų84.565%0.64947%0.473SS*.THydrogen-bonded Turntrans83.1-0.9-174.600000115.3I243I243-G245 PolarHBondContact O-N 2.95Å
246L87Confident76.3Confident22 Ų2280 Ų8012%0.11544%0.442CS..SBendtrans-121.8155.6176.9-62.8-179.4000112.6C169 K172 V242 I243 D244C169-L246 HydrophobicContact CB-CD1 4.07Å; C169-L246 HydrophobicContact CB-CD2 4.04Å; C169-L246 HydrophobicContact CB-CG 3.69Å; K172-L246 HydrophobicContact CB-CD1 4.36Å; K172-L246 HydrophobicContact CD-CD1 3.34Å; K172-L246 HydrophobicContact CG-CD1 4.4Å; V242-L246 WeakPolarHBondContact CG1-O 3.08Å; I243-L246 HydrophobicContact CB-CB 4.45Å; I243-L246 HydrophobicContact CB-CD1 4.13Å; I243-L246 HydrophobicContact CD1-CD1 4.44Å; I243-L246 HydrophobicContact CG2-CD1 4.15Å; I243-L246 WeakPolarHBondContact O-CB 3.4Å; I243-L246 PolarHBondContact O-N 3.17Å; D244-L246 VanDerWaalsContact C-N 3.33Å
247S86.6Confident79Confident64 Ų6470.4 Ų70.445%0.44841%0.405SS..  trans-67.8161.4169.180.70000111.5K249 S250 S251S247-K249 VanDerWaalsContact C-N 3.32Å; S247-K249 PolarHBondContact O-N 3.49Å; S247-S250 CarbonylContact O-C 3.11Å; S247-S250 PolarHBondContact O-N 2.96Å; S247-S250 VanDerWaalsContact O-N 3.13Å; S247-S250 VanDerWaalsContact OG-CB 3.3Å; S247-S250 WeakPolarHBondContact OG-CB 3.46Å; S247-S250 PolarHBondContact OG-N 2.92Å; S247-S250 PolarHBondContact OG-OG 3.29Å; S247-S251 WeakPolarHBondContact O-CB 3.09Å; S247-S251 PolarHBondContact O-N 3.21Å; S247-S251 PolarHBondContact O-OG 2.96Å
248E84.7Confident81.9Confident82 Ų8270.7 Ų70.738%0.38339%0.387SS..Hα-helixtrans-54.2-48.8174.5-171.8-174.3158.100111.2R240 V242 S250 S251R240-E248 HydrophobicContact CB-CG 4.3Å; R240-E248 VanDerWaalsContact CD-CD 3.49Å; R240-E248 WeakPolarHBondContact CD-OE1 3.38Å; R240-E248 WeakPolarHBondContact CG-OE1 3.15Å; R240-E248 IonicContact CZ-OE1 2.69Å; R240-E248 IonicContact CZ-OE2 3.22Å; R240-E248 IonicContact NE-OE1 2.69Å; R240-E248 PolarHBondContact NE-OE1 3.08Å; R240-E248 IonicContact NH1-OE1 3.86Å; R240-E248 PolarHBondContact NH1-OE1 3.13Å; R240-E248 IonicContact NH1-OE2 2.7Å; R240-E248 PolarHBondContact NH1-OE2 3.48Å; V242-E248 HydrophobicContact CG2-CB 4.21Å; V242-E248 HydrophobicContact CG2-CG 4.27Å; E248-S250 VanDerWaalsContact C-N 3.33Å; E248-S250 PolarHBondContact O-N 3.35Å; E248-S251 WeakPolarHBondContact O-CB 3.38Å; E248-S251 PolarHBondContact O-N 3Å
249K85.3Confident84.5Confident145 Ų14571.8 Ų71.863%0.6338%0.377SS*.Hα-helixtrans-60.6-43.4177.2-174.4-176179.4-173.50111.6D90 S247 S251D90-K249 IonicContact OD2-NZ 3.52Å; D90-K249 PolarHBondContact OD2-NZ 3.4Å; S247-K249 VanDerWaalsContact C-N 3.32Å; S247-K249 PolarHBondContact O-N 3.49Å; K249-S251 PolarHBondContact O-N 3.42Å
250S86.6Confident86.8Confident45 Ų4567 Ų6732%0.31536%0.355SS..Hα-helixtrans-71.7-8.7178.3-57.90000112.9K172 S247 E248K172-S250 WeakPolarHBondContact CD-O 3.39Å; K172-S250 WeakPolarHBondContact CE-O 3.35Å; K172-S250 PolarHBondContact NZ-O 3.21Å; S247-S250 CarbonylContact O-C 3.11Å; S247-S250 PolarHBondContact O-N 2.96Å; S247-S250 VanDerWaalsContact O-N 3.13Å; S247-S250 VanDerWaalsContact OG-CB 3.3Å; S247-S250 WeakPolarHBondContact OG-CB 3.46Å; S247-S250 PolarHBondContact OG-N 2.92Å; S247-S250 PolarHBondContact OG-OG 3.29Å; E248-S250 VanDerWaalsContact C-N 3.33Å; E248-S250 PolarHBondContact O-N 3.35Å
251S90.4Very high88.5Confident0 Ų059.2 Ų59.20%033%0.326CS..Hα-helixtrans-95.1-13.8-179-63.80000113.2Y209 F241 I243 S247 E248 K249Y209-S251 WeakPolarHBondContact CE2-O 3.23Å; Y209-S251 PolarHBondContact OH-O 3.4Å; F241-S251 WeakPolarHBondContact O-CB 3.44Å; I243-S251 PolarHBondContact N-OG 3.23Å; S247-S251 WeakPolarHBondContact O-CB 3.09Å; S247-S251 PolarHBondContact O-N 3.21Å; S247-S251 PolarHBondContact O-OG 2.96Å; E248-S251 WeakPolarHBondContact O-CB 3.38Å; E248-S251 PolarHBondContact O-N 3Å; K249-S251 PolarHBondContact O-N 3.42Å
252V90.1Very high89.8Confident88 Ų8861.3 Ų61.353%0.53334%0.34SS..  trans-77.1130.8-177.8179.40000110.8
253V91.4Very high90.3Very high14 Ų1458.1 Ų58.19%0.08532%0.32CS..  trans-118.4110.7171.2-178.60000108.2F205 Y206 Y209 P256F205-V253 HydrophobicContact CE1-CG2 4.23Å; F205-V253 HydrophobicContact CZ-CG2 4.26Å; Y206-V253 HydrophobicContact CD1-CG1 4.03Å; Y206-V253 HydrophobicContact CE1-CG1 3.61Å; Y209-V253 HydrophobicContact CD1-CB 4.19Å; Y209-V253 HydrophobicContact CD2-CG2 4.13Å; Y209-V253 HydrophobicContact CE1-CB 3.72Å; Y209-V253 HydrophobicContact CE1-CG2 4.23Å; Y209-V253 HydrophobicContact CE2-CB 4.18Å; Y209-V253 HydrophobicContact CE2-CG2 3.77Å; Y209-V253 PolarHBondContact OH-N 3.46Å; V253-P256 HydrophobicContact CB-CG 4.45Å; V253-P256 HydrophobicContact CG1-CB 4.38Å; V253-P256 HydrophobicContact CG1-CG 4.02Å
254A90.3Very high90.5Very high60 Ų6058.3 Ų58.350%0.49632%0.321SS..SBendtrans-80.2136.317700000111R259A254-R259 WeakPolarHBondContact O-CG 3.39Å
255E91.4Very high90.7Very high137 Ų13754.5 Ų54.564%0.6430%0.303SS*.SBendtrans45.162.6178.7-56.6-56.5140.600114.4W257 E258 R259E255-W257 VanDerWaalsContact C-N 3.3Å; E255-W257 PolarHBondContact O-N 2.86Å; E255-E258 HydrophobicContact CB-CB 4.01Å; E255-E258 HydrophobicContact CB-CG 4.11Å; E255-E258 PolarHBondContact O-N 3.09Å; E255-E258 VanDerWaalsContact O-N 3.14Å; E255-R259 WeakPolarHBondContact O-CG 3.49Å; E255-R259 PolarHBondContact O-N 3.24Å
256P93.9Very high91.1Very high19 Ų1953.1 Ų53.112%0.12328%0.282CS..Hα-helixtrans-55.5-38.2-174.5-28.837.8000114.9Y206 Y209 V210 V253 L260Y206-P256 HydrophobicContact CD1-CB 3.87Å; Y209-P256 HydrophobicContact CD1-CG 3.95Å; Y209-P256 HydrophobicContact CE1-CG 4.21Å; V210-P256 HydrophobicContact CG1-CB 3.51Å; V210-P256 HydrophobicContact CG1-CG 3.63Å; V253-P256 HydrophobicContact CB-CG 4.45Å; V253-P256 HydrophobicContact CG1-CB 4.38Å; V253-P256 HydrophobicContact CG1-CG 4.02Å; P256-L260 WeakPolarHBondContact O-CB 3.43Å; P256-L260 PolarHBondContact O-N 3.49Å; P256-L260 VanDerWaalsContact O-N 3.08Å
257W94.8Very high91.3Very high26 Ų2652.1 Ų52.110%0.09828%0.277CS..Hα-helixtrans-69.3-40.9178.7-66.4114.1000112.1I207 V210 E255 L260 L261 Y282 R321 F324I207-W257 HydrophobicContact CG1-CH2 3.82Å; I207-W257 HydrophobicContact CG1-CZ3 3.89Å; V210-W257 HydrophobicContact CG2-CH2 4.3Å; V210-W257 HydrophobicContact CG2-CZ2 3.54Å; E255-W257 VanDerWaalsContact C-N 3.3Å; E255-W257 PolarHBondContact O-N 2.86Å; W257-L260 HydrophobicContact CE3-CD2 4.4Å; W257-L260 HydrophobicContact CZ3-CD2 4.43Å; W257-L260 PolarHBondContact O-N 3.17Å; W257-L261 WeakPolarHBondContact O-CB 2.98Å; W257-L261 PolarHBondContact O-N 2.99Å; W257-Y282 HydrophobicContact CB-CE2 4.38Å; W257-Y282 PolarHBondContact O-OH 2.84Å; W257-R321 HydrophobicContact CD2-CB 4.28Å; W257-R321 HydrophobicContact CD2-CG 3.86Å; W257-R321 HydrophobicContact CE3-CB 3.84Å; W257-R321 HydrophobicContact CE3-CG 3.89Å; W257-R321 HydrophobicContact CG-CG 4.38Å; W257-R321 VanDerWaalsContact CH2-CA 3.45Å; W257-R321 HydrophobicContact CH2-CB 3.87Å; W257-R321 HydrophobicContact CH2-CG 4.37Å; W257-R321 HydrophobicContact CZ2-CB 4.29Å; W257-R321 HydrophobicContact CZ2-CG 4.34Å; W257-R321 HydrophobicContact CZ3-CB 3.63Å; W257-R321 HydrophobicContact CZ3-CG 4.16Å; W257-F324 AromaticContact CE2-CD1 3.96Å; W257-F324 HydrophobicContact CZ2-CB 3.95Å; W257-F324 AromaticContact CZ2-CD1 3.69Å; W257-F324 HydrophobicContact CZ2-CD1 3.69Å; W257-F324 HydrophobicContact CZ2-CE1 4.41Å; W257-F324 AromaticContact CZ2-CG 3.88Å; W257-F324 HydrophobicContact CZ2-CG 3.88Å; W257-F324 AromaticContact NE1-CD1 3.67Å; W257-F324 AromaticContact NE1-CE1 3.68Å
258E94.4Very high91.5Very high81 Ų8149.5 Ų49.538%0.37926%0.26SS..Hα-helixtrans-68.2-41.7177.6-58.3-54.3130.200111.1E255 L260 L261 D262E255-E258 HydrophobicContact CB-CB 4.01Å; E255-E258 HydrophobicContact CB-CG 4.11Å; E255-E258 PolarHBondContact O-N 3.09Å; E255-E258 VanDerWaalsContact O-N 3.14Å; E258-L260 VanDerWaalsContact C-N 3.28Å; E258-L260 PolarHBondContact O-N 3.27Å; E258-L261 WeakPolarHBondContact O-CB 3.19Å; E258-L261 PolarHBondContact O-N 3.18Å; E258-L261 VanDerWaalsContact O-N 3.12Å; E258-D262 PolarHBondContact O-N 3.16Å
259R94.6Very high91.7Very high111 Ų11149.2 Ų49.242%0.41927%0.272SS..Hα-helixtrans-56.4-42.2172.6-71.8-84.6-175.2142.7-2.4112.3Y206 A254 E255 I263Y206-R259 HydrophobicContact CE1-CB 3.93Å; Y206-R259 HydrophobicContact CE2-CB 4.46Å; A254-R259 WeakPolarHBondContact O-CG 3.39Å; E255-R259 WeakPolarHBondContact O-CG 3.49Å; E255-R259 PolarHBondContact O-N 3.24Å; R259-I263 WeakPolarHBondContact O-CG1 3.46Å; R259-I263 PolarHBondContact O-N 3.05Å
260L95.5Very high91.9Very high0 Ų045.1 Ų45.10%025%0.253CS..Hα-helixtrans-67.7-40.8177.4-179.455.8000111.3A202 A203 Y206 P256 W257 E258 I263 V264 L317A202-L260 HydrophobicContact CB-CD1 4.42Å; A203-L260 HydrophobicContact CB-CD1 4.09Å; A203-L260 HydrophobicContact CB-CD2 4.26Å; Y206-L260 HydrophobicContact CD2-CB 3.99Å; Y206-L260 HydrophobicContact CD2-CD1 4.15Å; Y206-L260 HydrophobicContact CG-CB 4.42Å; P256-L260 WeakPolarHBondContact O-CB 3.43Å; P256-L260 PolarHBondContact O-N 3.49Å; P256-L260 VanDerWaalsContact O-N 3.08Å; W257-L260 HydrophobicContact CE3-CD2 4.4Å; W257-L260 HydrophobicContact CZ3-CD2 4.43Å; W257-L260 PolarHBondContact O-N 3.17Å; E258-L260 VanDerWaalsContact C-N 3.28Å; E258-L260 PolarHBondContact O-N 3.27Å; L260-I263 PolarHBondContact O-N 2.88Å; L260-V264 HydrophobicContact CD1-CG2 4.44Å; L260-V264 WeakPolarHBondContact O-CG2 3.47Å; L260-V264 PolarHBondContact O-N 2.85Å; L260-L317 HydrophobicContact CD2-CD2 3.76Å; L260-L317 HydrophobicContact CG-CD1 4.48Å; L260-L317 HydrophobicContact CG-CD2 4.44Å
261L93.8Very high92Very high5 Ų543.6 Ų43.63%0.02624%0.242CC..Hα-helixtrans-63.3-39.1176.3-173.959.2000112.5W257 E258 V264 T265 R280 Y282 M285W257-L261 WeakPolarHBondContact O-CB 2.98Å; W257-L261 PolarHBondContact O-N 2.99Å; E258-L261 WeakPolarHBondContact O-CB 3.19Å; E258-L261 PolarHBondContact O-N 3.18Å; E258-L261 VanDerWaalsContact O-N 3.12Å; L261-V264 PolarHBondContact O-N 3.16Å; L261-T265 WeakPolarHBondContact O-CB 3.33Å; L261-T265 PolarHBondContact O-N 3.33Å; L261-T265 PolarHBondContact O-OG1 3.24Å; L261-R280 VanDerWaalsContact CD2-O 3.24Å; L261-R280 WeakPolarHBondContact CD2-O 3.2Å; L261-Y282 HydrophobicContact CB-CE2 4.08Å; L261-Y282 HydrophobicContact CD1-CE2 4.42Å; L261-Y282 HydrophobicContact CD2-CD2 4.19Å; L261-Y282 HydrophobicContact CD2-CE2 4.08Å; L261-Y282 HydrophobicContact CG-CE2 4.45Å; L261-M285 HydrophobicContact CD1-CE 3.35Å
262D92.9Very high91.8Very high101 Ų10150.6 Ų50.654%0.5427%0.274SS..Hα-helixtrans-60.5-45.8173.7-74.2-25.2000111.4E258 V264 T265 V266E258-D262 PolarHBondContact O-N 3.16Å; D262-V264 PolarHBondContact O-N 3.41Å; D262-T265 WeakPolarHBondContact O-CB 3.36Å; D262-T265 PolarHBondContact O-N 2.99Å; D262-V266 WeakPolarHBondContact O-CG2 3.43Å; D262-V266 PolarHBondContact O-N 3.13Å
263I94.1Very high91.7Very high8 Ų847.7 Ų47.74%0.04125%0.254CS..Hα-helixtrans-60.8-45.8176.3-68.7165.7000110.5L179 I183 I199 A202 Y206 R259 L260 T265 V266 V267L179-I263 HydrophobicContact CD2-CD1 4.32Å; L179-I263 HydrophobicContact CD2-CG2 4.28Å; I183-I263 HydrophobicContact CD1-CB 4.35Å; I183-I263 HydrophobicContact CD1-CG1 4.17Å; I183-I263 HydrophobicContact CD1-CG2 4.07Å; I199-I263 HydrophobicContact CG1-CG2 4.43Å; A202-I263 HydrophobicContact CB-CD1 4.13Å; Y206-I263 HydrophobicContact CE2-CD1 3.73Å; R259-I263 WeakPolarHBondContact O-CG1 3.46Å; R259-I263 PolarHBondContact O-N 3.05Å; L260-I263 PolarHBondContact O-N 2.88Å; I263-T265 VanDerWaalsContact C-N 3.27Å; I263-T265 PolarHBondContact O-N 3.08Å; I263-V266 PolarHBondContact O-N 3.38Å; I263-V267 HydrophobicContact CG2-CG2 4.18Å; I263-V267 WeakPolarHBondContact O-CB 3.44Å; I263-V267 VanDerWaalsContact O-CG2 3.31Å; I263-V267 WeakPolarHBondContact O-CG2 3.4Å; I263-V267 PolarHBondContact O-N 3.47Å
264V92.6Very high90.7Very high6 Ų651 Ų514%0.03627%0.268CS..Hα-helixtrans-58.9-41.6177.8178.50000111I199 L260 L261 D262 G268 W273 M285 L317I199-V264 HydrophobicContact CD1-CB 3.98Å; I199-V264 HydrophobicContact CD1-CG1 4.18Å; I199-V264 HydrophobicContact CD1-CG2 3.61Å; I199-V264 HydrophobicContact CG1-CG2 4.18Å; L260-V264 HydrophobicContact CD1-CG2 4.44Å; L260-V264 WeakPolarHBondContact O-CG2 3.47Å; L260-V264 PolarHBondContact O-N 2.85Å; L261-V264 PolarHBondContact O-N 3.16Å; D262-V264 PolarHBondContact O-N 3.41Å; V264-G268 WeakPolarHBondContact O-CA 3.39Å; V264-G268 PolarHBondContact O-N 3.08Å; V264-W273 HydrophobicContact CG1-CZ3 4.21Å; V264-M285 HydrophobicContact CB-CE 4.35Å; V264-M285 HydrophobicContact CG1-CE 3.67Å; V264-L317 HydrophobicContact CG2-CD1 3.35Å
265T91.3Very high89.3Confident67 Ų6750.4 Ų50.441%0.41127%0.268SS..Hα-helixtrans-63.9-47.7-179.3-58.30000111.2L261 D262 I263 A269L261-T265 WeakPolarHBondContact O-CB 3.33Å; L261-T265 PolarHBondContact O-N 3.33Å; L261-T265 PolarHBondContact O-OG1 3.24Å; D262-T265 WeakPolarHBondContact O-CB 3.36Å; D262-T265 PolarHBondContact O-N 2.99Å; I263-T265 VanDerWaalsContact C-N 3.27Å; I263-T265 PolarHBondContact O-N 3.08Å; T265-A269 PolarHBondContact O-N 2.92Å
266V91.8Very high87.4Confident35 Ų3550.6 Ų50.621%0.21227%0.273CS..Hα-helixtrans-68.1-45.6179.9179.10000111.2I183 N184 D262 I263 G268 A269 R270I183-V266 HydrophobicContact CB-CG1 4.06Å; I183-V266 HydrophobicContact CD1-CB 4.16Å; I183-V266 HydrophobicContact CD1-CG1 4.19Å; I183-V266 HydrophobicContact CG1-CB 4.4Å; I183-V266 HydrophobicContact CG1-CG1 3.89Å; I183-V266 WeakPolarHBondContact O-CG1 3.37Å; N184-V266 WeakPolarHBondContact OD1-CG2 3.46Å; D262-V266 WeakPolarHBondContact O-CG2 3.43Å; D262-V266 PolarHBondContact O-N 3.13Å; I263-V266 PolarHBondContact O-N 3.38Å; V266-G268 VanDerWaalsContact C-N 3.34Å; V266-G268 PolarHBondContact O-N 2.92Å; V266-A269 PolarHBondContact O-N 3.39Å; V266-R270 WeakPolarHBondContact O-CG 3.26Å; V266-R270 PolarHBondContact O-N 2.78Å; V266-R270 VanDerWaalsContact O-N 3.09Å
267V91.6Very high85.4Confident1 Ų160.3 Ų60.31%0.00631%0.314CS..Hα-helixtrans-63.3-41.3177.3167.90000111.1I183 M195 I199 I263 A269 R270 C271I183-V267 HydrophobicContact CD1-CG2 4.4Å; I183-V267 HydrophobicContact CG2-CG2 4.39Å; M195-V267 HydrophobicContact CB-CG1 4Å; I199-V267 HydrophobicContact CB-CG1 4.49Å; I199-V267 HydrophobicContact CD1-CB 4.24Å; I199-V267 HydrophobicContact CD1-CG1 4.16Å; I263-V267 HydrophobicContact CG2-CG2 4.18Å; I263-V267 WeakPolarHBondContact O-CB 3.44Å; I263-V267 VanDerWaalsContact O-CG2 3.31Å; I263-V267 WeakPolarHBondContact O-CG2 3.4Å; I263-V267 PolarHBondContact O-N 3.47Å; V267-A269 PolarHBondContact O-N 2.86Å; V267-R270 PolarHBondContact O-N 3.36Å; V267-C271 WeakPolarHBondContact O-CB 3.37Å; V267-C271 PolarHBondContact O-N 2.88Å; V267-C271 PolarHBondContact O-SG 2.94Å; V267-C271 VanDerWaalsContact O-SG 3.33Å
268G90.5Very high83.5Confident8 Ų861.7 Ų61.78%0.08234%0.335CS..Hα-helixtrans-60.3-45.7176.900000111.9V264 V266 R270 C271 E272 W273V264-G268 WeakPolarHBondContact O-CA 3.39Å; V264-G268 PolarHBondContact O-N 3.08Å; V266-G268 VanDerWaalsContact C-N 3.34Å; V266-G268 PolarHBondContact O-N 2.92Å; G268-R270 VanDerWaalsContact C-N 3.32Å; G268-R270 PolarHBondContact O-N 2.79Å; G268-C271 PolarHBondContact O-N 3.34Å; G268-E272 PolarHBondContact O-N 3.35Å; G268-W273 WeakPolarHBondContact O-CB 3.39Å; G268-W273 PolarHBondContact O-N 3.3Å
269A89.4Confident81.8Confident77 Ų7761 Ų6164%0.63633%0.332SS*.Hα-helixtrans-59.8-41.2175.200000112.4T265 V266 V267 E272T265-A269 PolarHBondContact O-N 2.92Å; V266-A269 PolarHBondContact O-N 3.39Å; V267-A269 PolarHBondContact O-N 2.86Å; A269-E272 PolarHBondContact O-N 2.89Å
270R88.8Confident80.7Confident59 Ų5965.8 Ų65.822%0.22335%0.35CS..Hα-helixtrans-74.3-28178.6-70.3-166.3173.5-145.2-5.3114.5I183 N185 M188 M195 V266 V267 G268I183-R270 PolarHBondContact O-NE 2.87Å; I183-R270 PolarHBondContact O-NH2 2.99Å; N185-R270 PolarHBondContact O-NH1 2.92Å; N185-R270 VanDerWaalsContact O-NH1 3.14Å; N185-R270 PolarHBondContact O-NH2 3.36Å; M188-R270 PolarHBondContact O-NH1 3.33Å; M195-R270 HydrophobicContact CE-CB 3.87Å; M195-R270 HydrophobicContact SD-CB 3.5Å; M195-R270 VanDerWaalsContact SD-CB 3.5Å; M195-R270 HydrophobicContact SD-CG 4.35Å; V266-R270 WeakPolarHBondContact O-CG 3.26Å; V266-R270 PolarHBondContact O-N 2.78Å; V266-R270 VanDerWaalsContact O-N 3.09Å; V267-R270 PolarHBondContact O-N 3.36Å; G268-R270 VanDerWaalsContact C-N 3.32Å; G268-R270 PolarHBondContact O-N 2.79Å
271C88.8Confident80.4Confident13 Ų1367.6 Ų67.69%0.08836%0.363CS..THydrogen-bonded Turntrans-85.55.8174.7-700000113V267 G268 W273V267-C271 WeakPolarHBondContact O-CB 3.37Å; V267-C271 PolarHBondContact O-N 2.88Å; V267-C271 PolarHBondContact O-SG 2.94Å; V267-C271 VanDerWaalsContact O-SG 3.33Å; G268-C271 PolarHBondContact O-N 3.34Å; C271-W273 HydrophobicContact CB-CD2 4.32Å; C271-W273 HydrophobicContact CB-CG 4.09Å; C271-W273 PolarHBondContact O-N 3.36Å
272E86.9Confident80.3Confident146 Ų14667.7 Ų67.768%0.68236%0.363SS*.THydrogen-bonded Turntrans55.733.5-175.1-54.617816300112.8G268 A269 R306G268-E272 PolarHBondContact O-N 3.35Å; A269-E272 PolarHBondContact O-N 2.89Å; E272-R306 IonicContact OE2-NH1 3.8Å
273W87.4Confident80.2Confident28 Ų2867.6 Ų67.611%0.10636%0.362CS..  trans-64.8140.1175.2-73.2-1.2000110.6Q196 I199 V264 G268 C271 G275 Q310 I313Q196-W273 HydrophobicContact CG-CZ2 4.49Å; I199-W273 HydrophobicContact CD1-CH2 4.25Å; I199-W273 HydrophobicContact CD1-CZ3 4.41Å; V264-W273 HydrophobicContact CG1-CZ3 4.21Å; G268-W273 WeakPolarHBondContact O-CB 3.39Å; G268-W273 PolarHBondContact O-N 3.3Å; C271-W273 HydrophobicContact CB-CD2 4.32Å; C271-W273 HydrophobicContact CB-CG 4.09Å; C271-W273 PolarHBondContact O-N 3.36Å; W273-G275 PolarHBondContact O-N 2.86Å; W273-G275 VanDerWaalsContact O-N 3.17Å; W273-Q310 HydrophobicContact CB-CG 4.14Å; W273-Q310 HydrophobicContact CD2-CB 4.01Å; W273-Q310 HydrophobicContact CD2-CG 3.7Å; W273-Q310 HydrophobicContact CE3-CG 4.04Å; W273-Q310 HydrophobicContact CG-CB 4.08Å; W273-Q310 HydrophobicContact CG-CG 3.74Å; W273-Q310 HydrophobicContact CZ2-CB 4.5Å; W273-I313 HydrophobicContact CH2-CB 4.17Å; W273-I313 HydrophobicContact CH2-CD1 3.94Å; W273-I313 HydrophobicContact CH2-CG2 4.02Å; W273-I313 HydrophobicContact CZ2-CD1 4Å
274Q70.1Confident80Confident84 Ų8470.2 Ų70.239%0.39338%0.375SS..SBendtrans-72.9107.3-175.2-71.8-67.7-36.100111.1R288 L292 Y307 Q310Q274-R288 PolarHBondContact O-NE 3.04Å; Q274-R288 VanDerWaalsContact O-NE 3.12Å; Q274-L292 HydrophobicContact CB-CD1 4.36Å; Q274-L292 HydrophobicContact CB-CD2 3.9Å; Q274-L292 HydrophobicContact CG-CD2 4.25Å; Q274-Y307 HydrophobicContact CG-CE1 4.17Å; Q274-Y307 WeakPolarHBondContact CG-OH 3.35Å; Q274-Q310 PolarHBondContact O-NE2 2.8Å
275G61.2Low80Confident47 Ų4770.7 Ų70.749%0.48538%0.378SS..  trans-176.2148.6175.200000113.9W273W273-G275 PolarHBondContact O-N 2.86Å; W273-G275 VanDerWaalsContact O-N 3.17Å
276D51.5Low80.1Confident141 Ų14167.9 Ų67.975%0.75436%0.36SS*.  trans-61.2144.9176.2-96.4-30.9000111.7G278D276-G278 PolarHBondContact O-N 3.19Å
277K52.2Low80.1Confident223 Ų22372 Ų7297%0.9738%0.377SS*.THydrogen-bonded Turntrans-65.976.9170.8-65.1-179.5-179.2179.70109.6
278G54.4Low79.9Confident54 Ų5474.8 Ų74.856%0.55739%0.387SS*.THydrogen-bonded Turntrans163.10.5-178.200000117.3D276 R280D276-G278 PolarHBondContact O-N 3.19Å; G278-R280 PolarHBondContact O-N 3.24Å
279Q59.6Low80Confident66 Ų6674.5 Ų74.531%0.30838%0.384SS..  trans-70.4117.5177.7-62.4-140.9-18.900110.9D284Q279-D284 PolarHBondContact OE1-O 2.76Å
280R70.8Confident80.1Confident213 Ų21374 Ų7480%0.80437%0.367SS*.  trans-121.214.7-175.9-64.2-174.8-173.2-178.11.4113.2L261 G278L261-R280 VanDerWaalsContact CD2-O 3.24Å; L261-R280 WeakPolarHBondContact CD2-O 3.2Å; G278-R280 PolarHBondContact O-N 3.24Å
281S89.1Confident80.2Confident37 Ų3775 Ų7526%0.25938%0.375SS..SBendtrans-139.4151.4179.788.80000113.6I283 D284 M285S281-I283 PolarHBondContact O-N 3.11Å; S281-I283 PolarHBondContact OG-N 3.45Å; S281-D284 WeakPolarHBondContact CB-OD2 3.49Å; S281-D284 PolarHBondContact O-N 2.8Å; S281-D284 PolarHBondContact OG-N 3.38Å; S281-D284 VanDerWaalsContact OG-N 3.17Å; S281-D284 PolarHBondContact OG-OD2 3.45Å; S281-M285 PolarHBondContact O-N 3.33Å; S281-M285 VanDerWaalsContact O-N 3.14Å
282Y92.3Very high80.3Confident8 Ų874.7 Ų74.73%0.03137%0.372CS..Hα-helixtrans-64.8-26173.8-74.3-90.9000112.9W257 L261 L286 L317 V318 R321W257-Y282 HydrophobicContact CB-CE2 4.38Å; W257-Y282 PolarHBondContact O-OH 2.84Å; L261-Y282 HydrophobicContact CB-CE2 4.08Å; L261-Y282 HydrophobicContact CD1-CE2 4.42Å; L261-Y282 HydrophobicContact CD2-CD2 4.19Å; L261-Y282 HydrophobicContact CD2-CE2 4.08Å; L261-Y282 HydrophobicContact CG-CE2 4.45Å; Y282-L286 PolarHBondContact O-N 2.96Å; Y282-L317 HydrophobicContact CE1-CB 4.23Å; Y282-V318 HydrophobicContact CD1-CG2 4.04Å; Y282-V318 WeakPolarHBondContact O-CG2 3.19Å; Y282-R321 HydrophobicContact CD1-CB 4.43Å; Y282-R321 HydrophobicContact CE1-CB 4.37Å
283I90.4Very high80.5Confident99 Ų9968 Ų6851%0.50834%0.341SS..Hα-helixtrans-71.1-46.5178.2-63.3172.6000109.8S281 M285 L286 Q287S281-I283 PolarHBondContact O-N 3.11Å; S281-I283 PolarHBondContact OG-N 3.45Å; I283-M285 VanDerWaalsContact C-N 3.29Å; I283-M285 PolarHBondContact O-N 3.49Å; I283-L286 PolarHBondContact O-N 2.73Å; I283-Q287 WeakPolarHBondContact O-CG 3.2Å; I283-Q287 PolarHBondContact O-N 2.87Å
284D90.3Very high80.7Confident62 Ų6276.6 Ų76.633%0.33237%0.374SS..Hα-helixtrans-62.5-41.4177.1-56.2-42.6000110.6Q279 S281 L286 Q287 R288Q279-D284 PolarHBondContact OE1-O 2.76Å; S281-D284 WeakPolarHBondContact CB-OD2 3.49Å; S281-D284 PolarHBondContact O-N 2.8Å; S281-D284 PolarHBondContact OG-N 3.38Å; S281-D284 VanDerWaalsContact OG-N 3.17Å; S281-D284 PolarHBondContact OG-OD2 3.45Å; D284-L286 VanDerWaalsContact C-N 3.34Å; D284-L286 PolarHBondContact O-N 2.87Å; D284-Q287 PolarHBondContact O-N 3.34Å; D284-R288 PolarHBondContact O-N 3.42Å
285M91.3Very high81.6Confident17 Ų1779.6 Ų79.68%0.08438%0.383CS..Hα-helixtrans-56.3-46.3174.4-174.7-174.2-6400111.6L261 V264 S281 I283 R288 V289 C314 V318L261-M285 HydrophobicContact CD1-CE 3.35Å; V264-M285 HydrophobicContact CB-CE 4.35Å; V264-M285 HydrophobicContact CG1-CE 3.67Å; S281-M285 PolarHBondContact O-N 3.33Å; S281-M285 VanDerWaalsContact O-N 3.14Å; I283-M285 VanDerWaalsContact C-N 3.29Å; I283-M285 PolarHBondContact O-N 3.49Å; M285-R288 PolarHBondContact O-N 3.12Å; M285-V289 WeakPolarHBondContact O-CG2 3.42Å; M285-V289 PolarHBondContact O-N 3.44Å; M285-C314 HydrophobicContact CG-CB 3.71Å; M285-C314 HydrophobicContact SD-CB 3.64Å; M285-V318 HydrophobicContact CB-CG2 4.34Å; M285-V318 HydrophobicContact CG-CG2 4.28Å; M285-V318 HydrophobicContact SD-CG2 4.01Å
286L93.1Very high82.9Confident7 Ų777.7 Ų77.74%0.03736%0.361CS..Hα-helixtrans-62.8-46.4177.9-177.557.5000112.3Y282 I283 D284 R288 V289 K290 V318 T418 S422 L425Y282-L286 PolarHBondContact O-N 2.96Å; I283-L286 PolarHBondContact O-N 2.73Å; D284-L286 VanDerWaalsContact C-N 3.34Å; D284-L286 PolarHBondContact O-N 2.87Å; L286-R288 PolarHBondContact O-N 2.9Å; L286-V289 HydrophobicContact CD1-CG2 4.15Å; L286-V289 VanDerWaalsContact O-CG2 3.29Å; L286-V289 WeakPolarHBondContact O-CG2 3.26Å; L286-V289 PolarHBondContact O-N 3.48Å; L286-K290 HydrophobicContact CD1-CD 4.46Å; L286-K290 HydrophobicContact CD1-CG 4.34Å; L286-K290 HydrophobicContact CG-CD 4.24Å; L286-K290 VanDerWaalsContact O-CG 3.32Å; L286-K290 WeakPolarHBondContact O-CG 3.42Å; L286-K290 PolarHBondContact O-N 3.01Å; L286-V318 HydrophobicContact CB-CG1 4.07Å; L286-V318 HydrophobicContact CB-CG2 4.26Å; L286-V318 HydrophobicContact CD1-CG1 4.41Å; L286-V318 HydrophobicContact CD2-CG1 4.14Å; L286-V318 HydrophobicContact CG-CG1 4.42Å; L286-T418 HydrophobicContact CD2-CG2 3.68Å; L286-S422 WeakPolarHBondContact CD1-OG 3.45Å; L286-L425 HydrophobicContact CD1-CD2 4.37Å
287Q91.7Very high84.6Confident123 Ų12374.8 Ų74.858%0.57535%0.35SS*.Hα-helixtrans-58.3-41179.1-69.9179.49.400111I283 D284 K290 E291I283-Q287 WeakPolarHBondContact O-CG 3.2Å; I283-Q287 PolarHBondContact O-N 2.87Å; D284-Q287 PolarHBondContact O-N 3.34Å; Q287-K290 PolarHBondContact O-N 3Å; Q287-E291 PolarHBondContact O-N 3.24Å
288R88.4Confident86.3Confident59 Ų5967.6 Ų67.622%0.22334%0.339CS..Hα-helixtrans-67.8-47.3179.1-175.355172.8176.4-3.1112.8Q274 D284 M285 L286 K290 E291 L292Q274-R288 PolarHBondContact O-NE 3.04Å; Q274-R288 VanDerWaalsContact O-NE 3.12Å; D284-R288 PolarHBondContact O-N 3.42Å; M285-R288 PolarHBondContact O-N 3.12Å; L286-R288 PolarHBondContact O-N 2.9Å; R288-K290 VanDerWaalsContact C-N 3.25Å; R288-K290 PolarHBondContact O-N 2.99Å; R288-E291 IonicContact CZ-OE2 2.63Å; R288-E291 IonicContact NH1-OE1 3.53Å; R288-E291 IonicContact NH1-OE2 3.34Å; R288-E291 PolarHBondContact NH1-OE2 3.21Å; R288-E291 WeakPolarHBondContact O-CB 3.26Å; R288-E291 PolarHBondContact O-N 3.01Å; R288-E291 VanDerWaalsContact O-N 3.11Å; R288-L292 HydrophobicContact CG-CD1 4.19Å; R288-L292 WeakPolarHBondContact O-CG 3.37Å; R288-L292 PolarHBondContact O-N 3.18Å
289V92.3Very high88Confident2 Ų266.8 Ų66.81%0.01232%0.322CS..Hα-helixtrans-66.4-29.5179.5-64.60000112.6M285 L286 E291 L292 C293 V311 C314 A315 L425M285-V289 WeakPolarHBondContact O-CG2 3.42Å; M285-V289 PolarHBondContact O-N 3.44Å; L286-V289 HydrophobicContact CD1-CG2 4.15Å; L286-V289 VanDerWaalsContact O-CG2 3.29Å; L286-V289 WeakPolarHBondContact O-CG2 3.26Å; L286-V289 PolarHBondContact O-N 3.48Å; V289-E291 VanDerWaalsContact C-N 3.35Å; V289-L292 PolarHBondContact O-N 3.32Å; V289-C293 VanDerWaalsContact O-CB 3.23Å; V289-C293 WeakPolarHBondContact O-CB 2.97Å; V289-C293 PolarHBondContact O-N 2.87Å; V289-V311 HydrophobicContact CB-CG1 4.42Å; V289-V311 HydrophobicContact CB-CG2 4.31Å; V289-C314 HydrophobicContact CG1-CB 3.55Å; V289-A315 HydrophobicContact CG2-CB 4.27Å; V289-L425 HydrophobicContact CB-CD2 4.28Å; V289-L425 HydrophobicContact CG2-CD2 3.65Å
290K92.8Very high89.4Confident65 Ų6571.8 Ų71.828%0.28335%0.345SS..Hα-helixtrans-61.9-43170.4-76.2174176174.20111.9L286 Q287 R288 R294 E421 L425L286-K290 HydrophobicContact CD1-CD 4.46Å; L286-K290 HydrophobicContact CD1-CG 4.34Å; L286-K290 HydrophobicContact CG-CD 4.24Å; L286-K290 VanDerWaalsContact O-CG 3.32Å; L286-K290 WeakPolarHBondContact O-CG 3.42Å; L286-K290 PolarHBondContact O-N 3.01Å; Q287-K290 PolarHBondContact O-N 3Å; R288-K290 VanDerWaalsContact C-N 3.25Å; R288-K290 PolarHBondContact O-N 2.99Å; K290-R294 PolarHBondContact O-N 3.13Å; K290-E421 IonicContact NZ-OE2 3.37Å; K290-E421 PolarHBondContact NZ-OE2 3.2Å; K290-L425 HydrophobicContact CG-CD1 4.29Å; K290-L425 HydrophobicContact CG-CD2 4.06Å
291E90.6Very high90.4Very high81 Ų8164.5 Ų64.538%0.37934%0.337SS..Hα-helixtrans-64.2-48.3175.7-176.6178.2-16000111.1Q287 R288 V289 C293 R294 Y295Q287-E291 PolarHBondContact O-N 3.24Å; R288-E291 IonicContact CZ-OE2 2.63Å; R288-E291 IonicContact NH1-OE1 3.53Å; R288-E291 IonicContact NH1-OE2 3.34Å; R288-E291 PolarHBondContact NH1-OE2 3.21Å; R288-E291 WeakPolarHBondContact O-CB 3.26Å; R288-E291 PolarHBondContact O-N 3.01Å; R288-E291 VanDerWaalsContact O-N 3.11Å; V289-E291 VanDerWaalsContact C-N 3.35Å; E291-C293 VanDerWaalsContact C-N 3.29Å; E291-C293 PolarHBondContact O-N 3.35Å; E291-R294 WeakPolarHBondContact O-CB 3.46Å; E291-R294 PolarHBondContact O-N 3.1Å; E291-R294 VanDerWaalsContact O-N 3.15Å; E291-Y295 HydrophobicContact CG-CE2 3.92Å; E291-Y295 WeakPolarHBondContact O-CD2 3.44Å; E291-Y295 WeakPolarHBondContact O-CE2 3.22Å
292L89.9Confident90.3Very high6 Ų670.2 Ų70.23%0.03136%0.359CS..Hα-helixtrans-59.6-40.1177.4-66.9171.5000112.4Q274 R288 V289 R294 Y295 L296 Y307 Q310 V311Q274-L292 HydrophobicContact CB-CD1 4.36Å; Q274-L292 HydrophobicContact CB-CD2 3.9Å; Q274-L292 HydrophobicContact CG-CD2 4.25Å; R288-L292 HydrophobicContact CG-CD1 4.19Å; R288-L292 WeakPolarHBondContact O-CG 3.37Å; R288-L292 PolarHBondContact O-N 3.18Å; V289-L292 PolarHBondContact O-N 3.32Å; L292-R294 PolarHBondContact O-N 3.44Å; L292-Y295 PolarHBondContact O-N 3.2Å; L292-L296 PolarHBondContact O-N 3.46Å; L292-Y307 HydrophobicContact CD2-CD1 3.9Å; L292-Y307 HydrophobicContact CD2-CE1 3.6Å; L292-Q310 HydrophobicContact CD1-CG 4.38Å; L292-Q310 VanDerWaalsContact CD1-NE2 3.32Å; L292-V311 HydrophobicContact CB-CG2 4.02Å
293C91.8Very high90Very high6 Ų672.4 Ų72.44%0.04137%0.374CS..Hα-helixtrans-60.1-33178.9-168.20000112.6V289 E291 Y295 L296 L425 S428V289-C293 VanDerWaalsContact O-CB 3.23Å; V289-C293 WeakPolarHBondContact O-CB 2.97Å; V289-C293 PolarHBondContact O-N 2.87Å; E291-C293 VanDerWaalsContact C-N 3.29Å; E291-C293 PolarHBondContact O-N 3.35Å; C293-Y295 PolarHBondContact O-N 3.48Å; C293-L296 HydrophobicContact CB-CD1 4.3Å; C293-L296 WeakPolarHBondContact O-CB 3.34Å; C293-L296 PolarHBondContact O-N 3Å; C293-L425 HydrophobicContact CB-CD1 3.59Å; C293-L425 VanDerWaalsContact SG-CD1 3.56Å; C293-S428 PolarHBondContact SG-OG 3.01Å
294R90.4Very high90Very high209 Ų20972.8 Ų72.879%0.78937%0.369SS*.Hα-helixtrans-63.3-27.8176.6-70.5175.5167161-1.5113.1K290 E291 L292K290-R294 PolarHBondContact O-N 3.13Å; E291-R294 WeakPolarHBondContact O-CB 3.46Å; E291-R294 PolarHBondContact O-N 3.1Å; E291-R294 VanDerWaalsContact O-N 3.15Å; L292-R294 PolarHBondContact O-N 3.44Å
295Y88.8Confident89.9Confident147 Ų14773.3 Ų73.358%0.57638%0.377SS*.Hα-helixtrans-91.7-16-179.5-60.2-73.1000113.2E291 L292 C293 P297 G298E291-Y295 HydrophobicContact CG-CE2 3.92Å; E291-Y295 WeakPolarHBondContact O-CD2 3.44Å; E291-Y295 WeakPolarHBondContact O-CE2 3.22Å; L292-Y295 PolarHBondContact O-N 3.2Å; C293-Y295 PolarHBondContact O-N 3.48Å; Y295-P297 VanDerWaalsContact C-CD 3.41Å; Y295-P297 VanDerWaalsContact C-N 3.35Å; Y295-G298 PolarHBondContact O-N 3.36Å; Y295-G298 VanDerWaalsContact O-N 3.09Å
296L89.1Confident89.7Confident7 Ų777.7 Ų77.74%0.03739%0.393CS..G310 helixtrans-50.6-42.3-177.8-80.1173.1000114.7L292 C293 G298 L299 R304 V311 L432L292-L296 PolarHBondContact O-N 3.46Å; C293-L296 HydrophobicContact CB-CD1 4.3Å; C293-L296 WeakPolarHBondContact O-CB 3.34Å; C293-L296 PolarHBondContact O-N 3Å; L296-G298 PolarHBondContact O-N 3.37Å; L296-L299 PolarHBondContact O-N 3.23Å; L296-L299 VanDerWaalsContact O-N 3.16Å; L296-R304 PolarHBondContact O-NH1 2.86Å; L296-V311 HydrophobicContact CD1-CG2 4.34Å; L296-L432 HydrophobicContact CD1-CD1 3.91Å; L296-L432 HydrophobicContact CD1-CD2 3.84Å; L296-L432 HydrophobicContact CD1-CG 4.15Å
297P87.5Confident89.6Confident79 Ų7979.7 Ų79.751%0.51340%0.4SS..G310 helixtrans-60.8-28.8-178.7-26.236.4000114.1Y295Y295-P297 VanDerWaalsContact C-CD 3.41Å; Y295-P297 VanDerWaalsContact C-N 3.35Å
298G87.2Confident89.6Confident72 Ų7274.8 Ų74.874%0.74238%0.379SS*.G310 helixtrans-88.91.9-179.600000114.7Y295 L296Y295-G298 PolarHBondContact O-N 3.36Å; Y295-G298 VanDerWaalsContact O-N 3.09Å; L296-G298 PolarHBondContact O-N 3.37Å
299L90.2Very high89.7Confident38 Ų3872.9 Ų72.920%0.19938%0.375CS..  trans-100.7145.7178.9-61.2176.2000110.9L296 T303 R304 Y307L296-L299 PolarHBondContact O-N 3.23Å; L296-L299 VanDerWaalsContact O-N 3.16Å; L299-T303 HydrophobicContact CD1-CG2 4.46Å; L299-T303 HydrophobicContact CD2-CG2 4.16Å; L299-R304 HydrophobicContact CB-CB 3.91Å; L299-R304 HydrophobicContact CB-CG 4.25Å; L299-R304 WeakPolarHBondContact O-CD 3.36Å; L299-R304 PolarHBondContact O-NH1 3.27Å; L299-R304 VanDerWaalsContact O-NH1 3.11Å; L299-Y307 HydrophobicContact CD1-CD1 3.76Å; L299-Y307 HydrophobicContact CD1-CD2 4.27Å; L299-Y307 HydrophobicContact CD1-CE1 4.2Å; L299-Y307 HydrophobicContact CD1-CG 3.79Å
300E90.7Very high89.7Confident170 Ų17073.3 Ų73.379%0.79438%0.377SS*.  trans-128.5163.7177.8-64-173.2172.400111.9R304E300-R304 PolarHBondContact O-N 3.33Å
301G90.4Very high89.8Confident61 Ų6170.2 Ų70.263%0.62936%0.364SS*.Hα-helixtrans58.4-141.1173.400000115.1T303 R304 S305G301-T303 VanDerWaalsContact C-N 3.3Å; G301-T303 PolarHBondContact O-N 3.46Å; G301-R304 PolarHBondContact O-N 3.35Å; G301-S305 PolarHBondContact O-N 3.45Å
302E86.7Confident90.1Very high157 Ų15766.5 Ų66.573%0.73435%0.346SS*.Hα-helixtrans-63.8-32-176.4-67.4-176.5171.300113.3S305 R306E302-S305 PolarHBondContact O-N 3.43Å; E302-R306 WeakPolarHBondContact O-CG 3.47Å; E302-R306 PolarHBondContact O-N 2.89Å
303T87.5Confident90.4Very high54 Ų5466.7 Ų66.733%0.33135%0.347SS..Hα-helixtrans-66.1-43.2177.9-57.30000110.8L299 G301 S305 R306 Y307L299-T303 HydrophobicContact CD1-CG2 4.46Å; L299-T303 HydrophobicContact CD2-CG2 4.16Å; G301-T303 VanDerWaalsContact C-N 3.3Å; G301-T303 PolarHBondContact O-N 3.46Å; T303-S305 VanDerWaalsContact C-N 3.34Å; T303-S305 PolarHBondContact O-N 3.42Å; T303-R306 PolarHBondContact O-N 2.69Å; T303-Y307 HydrophobicContact CG2-CD2 4.11Å; T303-Y307 HydrophobicContact CG2-CE2 3.91Å; T303-Y307 WeakPolarHBondContact O-CD2 3.43Å; T303-Y307 PolarHBondContact O-N 3.48Å; T303-Y307 VanDerWaalsContact O-N 3.12Å
304R89.3Confident90.6Very high106 Ų10666.7 Ų66.740%0.435%0.347SS..Hα-helixtrans-60.1-44.6173.6-169.7-169.1-178.6111.8-7.1111.5L296 L299 E300 G301 Y307 C308L296-R304 PolarHBondContact O-NH1 2.86Å; L299-R304 HydrophobicContact CB-CB 3.91Å; L299-R304 HydrophobicContact CB-CG 4.25Å; L299-R304 WeakPolarHBondContact O-CD 3.36Å; L299-R304 PolarHBondContact O-NH1 3.27Å; L299-R304 VanDerWaalsContact O-NH1 3.11Å; E300-R304 PolarHBondContact O-N 3.33Å; G301-R304 PolarHBondContact O-N 3.35Å; R304-Y307 PolarHBondContact O-N 3.32Å; R304-C308 VanDerWaalsContact O-CB 3.25Å; R304-C308 WeakPolarHBondContact O-CB 3.38Å; R304-C308 PolarHBondContact O-N 3.19Å
305S88.6Confident90.9Very high74 Ų7456.8 Ų56.852%0.51731%0.31SS..Hα-helixtrans-59.8-47.4178.8-175.10000112G301 E302 T303 Y307 C308 S309G301-S305 PolarHBondContact O-N 3.45Å; E302-S305 PolarHBondContact O-N 3.43Å; T303-S305 VanDerWaalsContact C-N 3.34Å; T303-S305 PolarHBondContact O-N 3.42Å; S305-Y307 PolarHBondContact O-N 3.49Å; S305-C308 WeakPolarHBondContact O-CB 3.26Å; S305-C308 PolarHBondContact O-N 3.31Å; S305-S309 PolarHBondContact O-N 3.45Å; S305-S309 PolarHBondContact O-OG 3.37Å
306R87.1Confident91.3Very high108 Ų10849.9 Ų49.941%0.40828%0.284SS..Hα-helixtrans-58.9-45.7177.3-74.9-172.3-73.6174.5-4112.9E272 E302 T303 S309 Q310E272-R306 IonicContact OE2-NH1 3.8Å; E302-R306 WeakPolarHBondContact O-CG 3.47Å; E302-R306 PolarHBondContact O-N 2.89Å; T303-R306 PolarHBondContact O-N 2.69Å; R306-S309 PolarHBondContact O-N 2.99Å; R306-Q310 PolarHBondContact O-N 3.48Å
307Y90Very high91.7Very high50 Ų5049.8 Ų49.820%0.19628%0.283CS..Hα-helixtrans-68.8-37.6179-81.4-122.9000111.3Q274 L292 L299 T303 R304 S305 Q310 V311Q274-Y307 HydrophobicContact CG-CE1 4.17Å; Q274-Y307 WeakPolarHBondContact CG-OH 3.35Å; L292-Y307 HydrophobicContact CD2-CD1 3.9Å; L292-Y307 HydrophobicContact CD2-CE1 3.6Å; L299-Y307 HydrophobicContact CD1-CD1 3.76Å; L299-Y307 HydrophobicContact CD1-CD2 4.27Å; L299-Y307 HydrophobicContact CD1-CE1 4.2Å; L299-Y307 HydrophobicContact CD1-CG 3.79Å; T303-Y307 HydrophobicContact CG2-CD2 4.11Å; T303-Y307 HydrophobicContact CG2-CE2 3.91Å; T303-Y307 WeakPolarHBondContact O-CD2 3.43Å; T303-Y307 PolarHBondContact O-N 3.48Å; T303-Y307 VanDerWaalsContact O-N 3.12Å; R304-Y307 PolarHBondContact O-N 3.32Å; S305-Y307 PolarHBondContact O-N 3.49Å; Y307-Q310 PolarHBondContact O-N 3.01Å; Y307-V311 WeakPolarHBondContact O-CB 3.28Å; Y307-V311 VanDerWaalsContact O-CG2 3.3Å; Y307-V311 WeakPolarHBondContact O-CG2 3.39Å; Y307-V311 PolarHBondContact O-N 3.44Å
308C92.2Very high92.1Very high19 Ų1946 Ų4613%0.12826%0.258CS..Hα-helixtrans-57.5-51.7173.5-172.20000110.6R304 S305 Q310 V311 V312R304-C308 VanDerWaalsContact O-CB 3.25Å; R304-C308 WeakPolarHBondContact O-CB 3.38Å; R304-C308 PolarHBondContact O-N 3.19Å; S305-C308 WeakPolarHBondContact O-CB 3.26Å; S305-C308 PolarHBondContact O-N 3.31Å; C308-Q310 VanDerWaalsContact C-N 3.34Å; C308-Q310 PolarHBondContact O-N 2.73Å; C308-V311 PolarHBondContact O-N 3.26Å; C308-V312 WeakPolarHBondContact O-CB 3.21Å; C308-V312 VanDerWaalsContact O-CG2 3.25Å; C308-V312 WeakPolarHBondContact O-CG2 3.32Å; C308-V312 PolarHBondContact O-N 3.42Å
309S91.3Very high92.7Very high20 Ų2042.6 Ų42.614%0.1422%0.223CC..Hα-helixtrans-59.3-43177.3-54.90000112.4S305 R306 I313S305-S309 PolarHBondContact O-N 3.45Å; S305-S309 PolarHBondContact O-OG 3.37Å; R306-S309 PolarHBondContact O-N 2.99Å; S309-I313 WeakPolarHBondContact O-CB 3.39Å; S309-I313 VanDerWaalsContact O-CG1 3.28Å; S309-I313 WeakPolarHBondContact O-CG1 3.41Å; S309-I313 PolarHBondContact O-N 2.83Å
310Q92.7Very high93Very high11 Ų1140.8 Ų40.85%0.05121%0.214CC..Hα-helixtrans-60.1-50.4176.4-179.9179.7-4.600111.3W273 Q274 L292 R306 Y307 C308 C314W273-Q310 HydrophobicContact CB-CG 4.14Å; W273-Q310 HydrophobicContact CD2-CB 4.01Å; W273-Q310 HydrophobicContact CD2-CG 3.7Å; W273-Q310 HydrophobicContact CE3-CG 4.04Å; W273-Q310 HydrophobicContact CG-CB 4.08Å; W273-Q310 HydrophobicContact CG-CG 3.74Å; W273-Q310 HydrophobicContact CZ2-CB 4.5Å; Q274-Q310 PolarHBondContact O-NE2 2.8Å; L292-Q310 HydrophobicContact CD1-CG 4.38Å; L292-Q310 VanDerWaalsContact CD1-NE2 3.32Å; R306-Q310 PolarHBondContact O-N 3.48Å; Y307-Q310 PolarHBondContact O-N 3.01Å; C308-Q310 VanDerWaalsContact C-N 3.34Å; C308-Q310 PolarHBondContact O-N 2.73Å; Q310-C314 VanDerWaalsContact O-CB 3.26Å; Q310-C314 WeakPolarHBondContact O-CB 3.47Å; Q310-C314 PolarHBondContact O-N 2.72Å; Q310-C314 VanDerWaalsContact O-N 3.1Å; Q310-C314 PolarHBondContact O-SG 3.02Å
311V94.8Very high93.4Very high0 Ų035.6 Ų35.60%019%0.187CC..Hα-helixtrans-62.2-47-178.8171.10000110.5V289 L292 L296 Y307 C308 A315 L425 L432V289-V311 HydrophobicContact CB-CG1 4.42Å; V289-V311 HydrophobicContact CB-CG2 4.31Å; L292-V311 HydrophobicContact CB-CG2 4.02Å; L296-V311 HydrophobicContact CD1-CG2 4.34Å; Y307-V311 WeakPolarHBondContact O-CB 3.28Å; Y307-V311 VanDerWaalsContact O-CG2 3.3Å; Y307-V311 WeakPolarHBondContact O-CG2 3.39Å; Y307-V311 PolarHBondContact O-N 3.44Å; C308-V311 PolarHBondContact O-N 3.26Å; V311-A315 WeakPolarHBondContact O-CB 3.37Å; V311-A315 PolarHBondContact O-N 3.41Å; V311-L425 HydrophobicContact CG1-CD2 4.46Å; V311-L432 HydrophobicContact CB-CD2 4.04Å; V311-L432 HydrophobicContact CG1-CD1 4.05Å; V311-L432 HydrophobicContact CG1-CD2 3.8Å
312V96.6Very high93.7Very high3 Ų332.9 Ų32.92%0.01816%0.158CC..Hα-helixtrans-64-49.8-177.4172.90000111.5C308 A316 L426 L432 E435 F436 I439C308-V312 WeakPolarHBondContact O-CB 3.21Å; C308-V312 VanDerWaalsContact O-CG2 3.25Å; C308-V312 WeakPolarHBondContact O-CG2 3.32Å; C308-V312 PolarHBondContact O-N 3.42Å; V312-A316 WeakPolarHBondContact O-CB 3.33Å; V312-A316 PolarHBondContact O-N 2.94Å; V312-L426 HydrophobicContact CB-CD2 4.4Å; V312-L426 HydrophobicContact CG1-CD2 4.31Å; V312-L426 HydrophobicContact CG2-CD2 4.4Å; V312-L432 HydrophobicContact CG2-CB 4.21Å; V312-L432 HydrophobicContact CG2-CD2 3.63Å; V312-E435 HydrophobicContact CB-CB 4.49Å; V312-E435 HydrophobicContact CG1-CB 4.15Å; V312-E435 HydrophobicContact CG2-CB 3.94Å; V312-F436 HydrophobicContact CG1-CB 4.3Å; V312-I439 HydrophobicContact CG1-CD1 3.68Å
313I95.6Very high94.3Very high10 Ų1025.4 Ų25.45%0.05112%0.123CC..Hα-helixtrans-62-52.7-178.6-68.1166.5000110.1Q196 I199 L200 W273 S309 A316 L317Q196-I313 HydrophobicContact CB-CD1 4.26Å; Q196-I313 HydrophobicContact CG-CD1 3.98Å; I199-I313 HydrophobicContact CD1-CG2 4.06Å; I199-I313 HydrophobicContact CG1-CG2 4.37Å; I199-I313 HydrophobicContact CG2-CD1 4.18Å; I199-I313 HydrophobicContact CG2-CG2 4.38Å; L200-I313 HydrophobicContact CD2-CG1 4.21Å; W273-I313 HydrophobicContact CH2-CB 4.17Å; W273-I313 HydrophobicContact CH2-CD1 3.94Å; W273-I313 HydrophobicContact CH2-CG2 4.02Å; W273-I313 HydrophobicContact CZ2-CD1 4Å; S309-I313 WeakPolarHBondContact O-CB 3.39Å; S309-I313 VanDerWaalsContact O-CG1 3.28Å; S309-I313 WeakPolarHBondContact O-CG1 3.41Å; S309-I313 PolarHBondContact O-N 2.83Å; I313-A316 PolarHBondContact O-N 3.34Å; I313-L317 HydrophobicContact CG2-CD1 4.27Å; I313-L317 VanDerWaalsContact O-CG 3.28Å; I313-L317 WeakPolarHBondContact O-CG 3.48Å; I313-L317 PolarHBondContact O-N 3.4Å
314C95.4Very high94.7Very high6 Ų623.9 Ų23.94%0.04111%0.112CC..Hα-helixtrans-65.9-44.7-176.4-72.20000112.4M285 V289 Q310 A316 L317 V318M285-C314 HydrophobicContact CG-CB 3.71Å; M285-C314 HydrophobicContact SD-CB 3.64Å; V289-C314 HydrophobicContact CG1-CB 3.55Å; Q310-C314 VanDerWaalsContact O-CB 3.26Å; Q310-C314 WeakPolarHBondContact O-CB 3.47Å; Q310-C314 PolarHBondContact O-N 2.72Å; Q310-C314 VanDerWaalsContact O-N 3.1Å; Q310-C314 PolarHBondContact O-SG 3.02Å; C314-A316 PolarHBondContact O-N 2.94Å; C314-L317 PolarHBondContact O-N 2.94Å; C314-V318 WeakPolarHBondContact O-CG2 3.16Å; C314-V318 PolarHBondContact O-N 3.34Å
315A96.9Very high95Very high0 Ų021.7 Ų21.70%011%0.108CC..Hα-helixtrans-66.2-37.3177.900000112.1V289 V311 V318 L319 L425 L426V289-A315 HydrophobicContact CG2-CB 4.27Å; V311-A315 WeakPolarHBondContact O-CB 3.37Å; V311-A315 PolarHBondContact O-N 3.41Å; A315-V318 PolarHBondContact O-N 3.37Å; A315-L319 VanDerWaalsContact O-CB 3.25Å; A315-L319 WeakPolarHBondContact O-CB 3.48Å; A315-L319 PolarHBondContact O-N 3.41Å; A315-L425 HydrophobicContact CB-CD2 4.05Å; A315-L426 HydrophobicContact CB-CD1 4.41Å; A315-L426 HydrophobicContact CB-CD2 3.88Å; A315-L426 HydrophobicContact CB-CG 3.94Å
316A97.8Very high95.3Very high3 Ų318.1 Ų18.13%0.0258%0.083CC..Hα-helixtrans-62.9-42.5174.400000111.6V312 I313 C314 L319 F320 L426 F436V312-A316 WeakPolarHBondContact O-CB 3.33Å; V312-A316 PolarHBondContact O-N 2.94Å; I313-A316 PolarHBondContact O-N 3.34Å; C314-A316 PolarHBondContact O-N 2.94Å; A316-L319 WeakPolarHBondContact O-CB 3.4Å; A316-L319 PolarHBondContact O-N 3.4Å; A316-F320 HydrophobicContact CB-CD2 4.39Å; A316-F320 HydrophobicContact CB-CE2 3.88Å; A316-F320 WeakPolarHBondContact O-CD2 3.16Å; A316-F320 WeakPolarHBondContact O-CG 3.34Å; A316-F320 PolarHBondContact O-N 3.34Å; A316-L426 HydrophobicContact CB-CD1 4.47Å; A316-F436 HydrophobicContact CB-CD2 4.14Å; A316-F436 HydrophobicContact CB-CE2 3.97Å
317L96.8Very high95.7Very high4 Ų413 Ų132%0.0216%0.064CC..Hα-helixtrans-63.9-43.2177-69.9-177.6000112.9A203 I207 L260 V264 Y282 I313 C314 L319 F320 R321A203-L317 HydrophobicContact CB-CD2 3.57Å; I207-L317 HydrophobicContact CD1-CD2 4.31Å; L260-L317 HydrophobicContact CD2-CD2 3.76Å; L260-L317 HydrophobicContact CG-CD1 4.48Å; L260-L317 HydrophobicContact CG-CD2 4.44Å; V264-L317 HydrophobicContact CG2-CD1 3.35Å; Y282-L317 HydrophobicContact CE1-CB 4.23Å; I313-L317 HydrophobicContact CG2-CD1 4.27Å; I313-L317 VanDerWaalsContact O-CG 3.28Å; I313-L317 WeakPolarHBondContact O-CG 3.48Å; I313-L317 PolarHBondContact O-N 3.4Å; C314-L317 PolarHBondContact O-N 2.94Å; L317-L319 VanDerWaalsContact C-N 3.34Å; L317-F320 PolarHBondContact O-N 2.72Å; L317-R321 WeakPolarHBondContact O-CB 3.27Å; L317-R321 PolarHBondContact O-N 3.02Å
318V97.5Very high95.8Very high0 Ų011.3 Ų11.30%06%0.059CC..Hα-helixtrans-62.5-44174.2177.40000110.6Y282 M285 L286 C314 A315 S322 T418 S422Y282-V318 HydrophobicContact CD1-CG2 4.04Å; Y282-V318 WeakPolarHBondContact O-CG2 3.19Å; M285-V318 HydrophobicContact CB-CG2 4.34Å; M285-V318 HydrophobicContact CG-CG2 4.28Å; M285-V318 HydrophobicContact SD-CG2 4.01Å; L286-V318 HydrophobicContact CB-CG1 4.07Å; L286-V318 HydrophobicContact CB-CG2 4.26Å; L286-V318 HydrophobicContact CD1-CG1 4.41Å; L286-V318 HydrophobicContact CD2-CG1 4.14Å; L286-V318 HydrophobicContact CG-CG1 4.42Å; C314-V318 WeakPolarHBondContact O-CG2 3.16Å; C314-V318 PolarHBondContact O-N 3.34Å; A315-V318 PolarHBondContact O-N 3.37Å; V318-S322 WeakPolarHBondContact O-CB 3.34Å; V318-S322 PolarHBondContact O-N 2.86Å; V318-S322 PolarHBondContact O-OG 3.34Å; V318-T418 HydrophobicContact CG1-CG2 3.59Å; V318-S422 WeakPolarHBondContact CG1-OG 3.49Å
319L98.3Very high95.7Very high0 Ų011.8 Ų11.80%06%0.064CC..Hα-helixtrans-55.6-55.2175.916863000110.8A315 A316 L317 R321 S322 A323 A419 W423 L426 F436 F451 F454A315-L319 VanDerWaalsContact O-CB 3.25Å; A315-L319 WeakPolarHBondContact O-CB 3.48Å; A315-L319 PolarHBondContact O-N 3.41Å; A316-L319 WeakPolarHBondContact O-CB 3.4Å; A316-L319 PolarHBondContact O-N 3.4Å; L317-L319 VanDerWaalsContact C-N 3.34Å; L319-R321 PolarHBondContact O-N 3.21Å; L319-S322 PolarHBondContact O-N 2.82Å; L319-A323 WeakPolarHBondContact O-CB 3.45Å; L319-A323 PolarHBondContact O-N 3.08Å; L319-A419 HydrophobicContact CD1-CB 4.23Å; L319-A419 VanDerWaalsContact CD1-O 3.26Å; L319-A419 WeakPolarHBondContact CD1-O 3.3Å; L319-W423 HydrophobicContact CD1-CB 4.15Å; L319-W423 HydrophobicContact CD2-CE3 3.97Å; L319-L426 HydrophobicContact CD2-CD1 3.69Å; L319-F436 HydrophobicContact CD2-CE1 4.49Å; L319-F436 HydrophobicContact CD2-CE2 4.2Å; L319-F436 HydrophobicContact CD2-CZ 3.7Å; L319-F451 HydrophobicContact CD1-CE2 4.2Å; L319-F451 HydrophobicContact CD2-CE2 4.32Å; L319-F451 HydrophobicContact CD2-CZ 4.05Å; L319-F451 HydrophobicContact CG-CE2 4.15Å; L319-F451 HydrophobicContact CG-CZ 4.39Å; L319-F454 HydrophobicContact CD1-CE1 3.82Å; L319-F454 HydrophobicContact CD1-CZ 4.3Å
320F97.9Very high95.7Very high0 Ų010.8 Ų10.80%06%0.058CC..Hα-helixtrans-65.2-42.1-176.1-63.9-50.1000112.5I207 A316 L317 F324 F436 W443 M445 W448 W450 F451I207-F320 HydrophobicContact CD1-CB 3.79Å; I207-F320 HydrophobicContact CD1-CD2 3.6Å; I207-F320 HydrophobicContact CD1-CE2 4.5Å; I207-F320 HydrophobicContact CD1-CG 3.93Å; I207-F320 HydrophobicContact CG1-CB 4.43Å; A316-F320 HydrophobicContact CB-CD2 4.39Å; A316-F320 HydrophobicContact CB-CE2 3.88Å; A316-F320 WeakPolarHBondContact O-CD2 3.16Å; A316-F320 WeakPolarHBondContact O-CG 3.34Å; A316-F320 PolarHBondContact O-N 3.34Å; L317-F320 PolarHBondContact O-N 2.72Å; F320-F324 WeakPolarHBondContact O-CB 3.45Å; F320-F324 PolarHBondContact O-N 3.3Å; F320-F436 HydrophobicContact CE2-CE2 4.49Å; F320-F436 AromaticContact CZ-CE2 3.94Å; F320-F436 HydrophobicContact CZ-CE2 3.94Å; F320-F436 HydrophobicContact CZ-CZ 4.27Å; F320-W443 AromaticContact CD2-CZ3 3.97Å; F320-W443 HydrophobicContact CD2-CZ3 3.97Å; F320-W443 HydrophobicContact CE2-CE3 4.23Å; F320-W443 HydrophobicContact CE2-CH2 4.25Å; F320-W443 AromaticContact CE2-CZ3 3.48Å; F320-W443 HydrophobicContact CE2-CZ3 3.48Å; F320-W443 VanDerWaalsContact CE2-CZ3 3.48Å; F320-W443 HydrophobicContact CZ-CE3 4.46Å; F320-W443 HydrophobicContact CZ-CZ3 4.13Å; F320-M445 HydrophobicContact CE1-CE 3.95Å; F320-M445 HydrophobicContact CE1-SD 3.44Å; F320-M445 WeakPolarHBondContact CE1-SD 3.47Å; F320-M445 HydrophobicContact CE2-SD 4.36Å; F320-M445 HydrophobicContact CZ-CE 3.62Å; F320-M445 HydrophobicContact CZ-SD 3.3Å; F320-M445 WeakPolarHBondContact CZ-SD 3.5Å; F320-W448 HydrophobicContact CD1-CZ3 4.27Å; F320-W448 HydrophobicContact CE1-CZ3 4.16Å; F320-W450 HydrophobicContact CB-CH2 4.33Å; F320-W450 HydrophobicContact CD1-CH2 4.02Å; F320-F451 HydrophobicContact CD1-CD2 4.26Å; F320-F451 HydrophobicContact CD1-CE2 4.07Å; F320-F451 HydrophobicContact CD1-CZ 4.5Å; F320-F451 HydrophobicContact CE1-CD2 4.4Å; F320-F451 HydrophobicContact CE1-CE1 4.34Å; F320-F451 HydrophobicContact CE1-CE2 4.04Å; F320-F451 HydrophobicContact CE1-CZ 4.02Å
321R97.3Very high95.5Very high62 Ų6210.5 Ų10.523%0.2346%0.056CC..Hα-helixtrans-61.2-48175.9-176.6-177.9175.5-73.7-0.3111.5W257 Y282 L317 L319 F324 L325W257-R321 HydrophobicContact CD2-CB 4.28Å; W257-R321 HydrophobicContact CD2-CG 3.86Å; W257-R321 HydrophobicContact CE3-CB 3.84Å; W257-R321 HydrophobicContact CE3-CG 3.89Å; W257-R321 HydrophobicContact CG-CG 4.38Å; W257-R321 VanDerWaalsContact CH2-CA 3.45Å; W257-R321 HydrophobicContact CH2-CB 3.87Å; W257-R321 HydrophobicContact CH2-CG 4.37Å; W257-R321 HydrophobicContact CZ2-CB 4.29Å; W257-R321 HydrophobicContact CZ2-CG 4.34Å; W257-R321 HydrophobicContact CZ3-CB 3.63Å; W257-R321 HydrophobicContact CZ3-CG 4.16Å; Y282-R321 HydrophobicContact CD1-CB 4.43Å; Y282-R321 HydrophobicContact CE1-CB 4.37Å; L317-R321 WeakPolarHBondContact O-CB 3.27Å; L317-R321 PolarHBondContact O-N 3.02Å; L319-R321 PolarHBondContact O-N 3.21Å; R321-F324 WeakPolarHBondContact O-CB 3.27Å; R321-F324 PolarHBondContact O-N 2.93Å; R321-L325 HydrophobicContact CG-CD1 4.45Å; R321-L325 WeakPolarHBondContact O-CG 3.5Å; R321-L325 PolarHBondContact O-N 3.29Å
322S98.1Very high95.1Very high4 Ų410.7 Ų10.73%0.0286%0.058CC..Hα-helixtrans-71.7-37.9-175-51.80000111.5V318 L319 L325 Y326 S415 T418V318-S322 WeakPolarHBondContact O-CB 3.34Å; V318-S322 PolarHBondContact O-N 2.86Å; V318-S322 PolarHBondContact O-OG 3.34Å; L319-S322 PolarHBondContact O-N 2.82Å; S322-L325 PolarHBondContact O-N 3.48Å; S322-Y326 PolarHBondContact O-N 3.47Å; S322-S415 WeakPolarHBondContact CB-O 3.36Å; S322-T418 VanDerWaalsContact OG-CG2 3.26Å; S322-T418 WeakPolarHBondContact OG-CG2 3.37Å
323A98.1Very high94.5Very high0 Ų013.2 Ų13.20%08%0.075CC..Hα-helixtrans-63.9-42.7171.800000111.1L319 L325 Y326 V327 A419 W450 F451 F454L319-A323 WeakPolarHBondContact O-CB 3.45Å; L319-A323 PolarHBondContact O-N 3.08Å; A323-L325 PolarHBondContact O-N 3.19Å; A323-Y326 PolarHBondContact O-N 3.41Å; A323-V327 WeakPolarHBondContact O-CB 3.43Å; A323-V327 VanDerWaalsContact O-CG2 3.26Å; A323-V327 WeakPolarHBondContact O-CG2 3.38Å; A323-V327 PolarHBondContact O-N 3.06Å; A323-A419 HydrophobicContact CB-CB 4.18Å; A323-W450 HydrophobicContact CB-CZ3 3.89Å; A323-F451 HydrophobicContact CB-CD2 4.26Å; A323-F451 HydrophobicContact CB-CE2 4.32Å; A323-F454 HydrophobicContact CB-CB 4.23Å; A323-F454 HydrophobicContact CB-CD1 3.84Å; A323-F454 HydrophobicContact CB-CD2 4.07Å; A323-F454 HydrophobicContact CB-CE1 4.27Å; A323-F454 HydrophobicContact CB-CE2 4.48Å; A323-F454 HydrophobicContact CB-CG 3.74Å
324F96.4Very high94Very high22 Ų2214.1 Ų14.110%0.0968%0.08CC..Hα-helixtrans-58.8-47.2174.3168.4-101.9000112V210 T211 W257 F320 R321 Y326 V327 S328 F335 W450V210-F324 HydrophobicContact CB-CE2 4.38Å; V210-F324 HydrophobicContact CB-CZ 4.17Å; V210-F324 HydrophobicContact CG2-CD2 4.48Å; V210-F324 HydrophobicContact CG2-CE2 4.31Å; V210-F324 HydrophobicContact CG2-CZ 4.38Å; V210-F324 WeakPolarHBondContact O-CE2 3.41Å; T211-F324 HydrophobicContact CG2-CD2 3.77Å; T211-F324 HydrophobicContact CG2-CE2 4.24Å; W257-F324 AromaticContact CE2-CD1 3.96Å; W257-F324 HydrophobicContact CZ2-CB 3.95Å; W257-F324 AromaticContact CZ2-CD1 3.69Å; W257-F324 HydrophobicContact CZ2-CD1 3.69Å; W257-F324 HydrophobicContact CZ2-CE1 4.41Å; W257-F324 AromaticContact CZ2-CG 3.88Å; W257-F324 HydrophobicContact CZ2-CG 3.88Å; W257-F324 AromaticContact NE1-CD1 3.67Å; W257-F324 AromaticContact NE1-CE1 3.68Å; F320-F324 WeakPolarHBondContact O-CB 3.45Å; F320-F324 PolarHBondContact O-N 3.3Å; R321-F324 WeakPolarHBondContact O-CB 3.27Å; R321-F324 PolarHBondContact O-N 2.93Å; F324-Y326 VanDerWaalsContact C-N 3.34Å; F324-Y326 PolarHBondContact O-N 2.62Å; F324-V327 PolarHBondContact O-N 3.42Å; F324-S328 VanDerWaalsContact CE2-OG 3.26Å; F324-S328 WeakPolarHBondContact CE2-OG 3.06Å; F324-S328 WeakPolarHBondContact CZ-OG 3.41Å; F324-S328 WeakPolarHBondContact O-CB 3.21Å; F324-S328 PolarHBondContact O-N 3.03Å; F324-S328 PolarHBondContact O-OG 3.45Å; F324-F335 HydrophobicContact CD2-CD1 4.28Å; F324-F335 AromaticContact CD2-CE1 3.82Å; F324-F335 HydrophobicContact CD2-CE1 3.82Å; F324-F335 HydrophobicContact CD2-CE2 4.42Å; F324-F335 AromaticContact CD2-CZ 3.86Å; F324-F335 HydrophobicContact CD2-CZ 3.86Å; F324-F335 AromaticContact CE2-CD1 3.8Å; F324-F335 HydrophobicContact CE2-CD1 3.8Å; F324-F335 HydrophobicContact CE2-CD2 4.38Å; F324-F335 AromaticContact CE2-CE1 3.83Å; F324-F335 HydrophobicContact CE2-CE1 3.83Å; F324-F335 HydrophobicContact CE2-CE2 4.41Å; F324-F335 HydrophobicContact CE2-CG 4.05Å; F324-F335 HydrophobicContact CE2-CZ 4.1Å; F324-W450 HydrophobicContact CB-CZ3 4.34Å
325L95.2Very high93.5Very high59 Ų5914 Ų1431%0.3098%0.079SC..Hα-helixtrans-62.5-40.5178.5-71176.6000112.3R321 S322 A323 A329R321-L325 HydrophobicContact CG-CD1 4.45Å; R321-L325 WeakPolarHBondContact O-CG 3.5Å; R321-L325 PolarHBondContact O-N 3.29Å; S322-L325 PolarHBondContact O-N 3.48Å; A323-L325 PolarHBondContact O-N 3.19Å; L325-A329 PolarHBondContact O-N 2.66Å
326Y96Very high92.3Very high0 Ų015.5 Ų15.50%09%0.086CC..Hα-helixtrans-62.6-54.4173.9170.7-103.6000111.5S322 A323 F324 S328 A329 V330 T412 F416 F454 D457S322-Y326 PolarHBondContact O-N 3.47Å; A323-Y326 PolarHBondContact O-N 3.41Å; F324-Y326 VanDerWaalsContact C-N 3.34Å; F324-Y326 PolarHBondContact O-N 2.62Å; Y326-S328 VanDerWaalsContact C-N 3.28Å; Y326-S328 PolarHBondContact O-N 3.03Å; Y326-A329 WeakPolarHBondContact O-CB 3.5Å; Y326-A329 PolarHBondContact O-N 3.35Å; Y326-A329 VanDerWaalsContact O-N 3.08Å; Y326-V330 HydrophobicContact CD2-CG2 3.98Å; Y326-V330 HydrophobicContact CE1-CG2 4.15Å; Y326-V330 HydrophobicContact CE2-CG2 3.55Å; Y326-V330 HydrophobicContact CG-CG2 4.46Å; Y326-V330 WeakPolarHBondContact O-CG2 3.48Å; Y326-V330 PolarHBondContact O-N 3.41Å; Y326-T412 HydrophobicContact CD2-CG2 3.73Å; Y326-T412 HydrophobicContact CE2-CG2 4.3Å; Y326-F416 HydrophobicContact CD1-CD2 4.04Å; Y326-F416 HydrophobicContact CD2-CB 3.63Å; Y326-F416 AromaticContact CD2-CD2 3.83Å; Y326-F416 HydrophobicContact CD2-CD2 3.83Å; Y326-F416 HydrophobicContact CD2-CG 4.15Å; Y326-F416 AromaticContact CE1-CD2 3.86Å; Y326-F416 HydrophobicContact CE1-CD2 3.86Å; Y326-F416 HydrophobicContact CE1-CE2 4.29Å; Y326-F416 HydrophobicContact CE2-CB 4.01Å; Y326-F416 AromaticContact CE2-CD2 3.62Å; Y326-F416 HydrophobicContact CE2-CD2 3.62Å; Y326-F416 HydrophobicContact CE2-CE2 4.47Å; Y326-F416 HydrophobicContact CE2-CG 4.1Å; Y326-F416 HydrophobicContact CG-CB 4.14Å; Y326-F416 HydrophobicContact CG-CD2 4.02Å; Y326-F416 AromaticContact CZ-CD2 3.65Å; Y326-F454 AromaticContact CD1-CD2 3.9Å; Y326-F454 HydrophobicContact CD1-CD2 3.9Å; Y326-F454 HydrophobicContact CE1-CD2 4.39Å; Y326-D457 HydrophobicContact CE1-CB 4.25Å; Y326-D457 WeakPolarHBondContact CE1-OD2 3.14Å; Y326-D457 PolarHBondContact OH-OD2 3.02Å
327V94.4Very high90.6Very high0 Ų018.9 Ų18.90%012%0.121CC..Hα-helixtrans-67.7-30.7-175.9-177.30000111.3A323 F324 A329 V330 Q331 L334 F335 W450 F454A323-V327 WeakPolarHBondContact O-CB 3.43Å; A323-V327 VanDerWaalsContact O-CG2 3.26Å; A323-V327 WeakPolarHBondContact O-CG2 3.38Å; A323-V327 PolarHBondContact O-N 3.06Å; F324-V327 PolarHBondContact O-N 3.42Å; V327-A329 PolarHBondContact O-N 3.4Å; V327-V330 PolarHBondContact O-N 2.96Å; V327-Q331 HydrophobicContact CG1-CB 4.18Å; V327-Q331 CarbonylContact O-C 3.57Å; V327-Q331 WeakPolarHBondContact O-CA 3.39Å; V327-Q331 PolarHBondContact O-N 3.2Å; V327-L334 HydrophobicContact CG1-CD1 4.29Å; V327-F335 HydrophobicContact CB-CE2 4.19Å; V327-F335 HydrophobicContact CB-CZ 4.27Å; V327-F335 HydrophobicContact CG1-CE2 3.87Å; V327-F335 HydrophobicContact CG1-CZ 3.99Å; V327-W450 HydrophobicContact CG1-CB 4.01Å; V327-W450 WeakPolarHBondContact CG2-O 2.96Å; V327-F454 HydrophobicContact CG2-CB 3.75Å
328S91.8Very high88.8Confident15 Ų1521 Ų2111%0.10513%0.134CC..Hα-helixtrans-64.8-29.6174.8-630000112.5F324 Y326 P332 F335F324-S328 VanDerWaalsContact CE2-OG 3.26Å; F324-S328 WeakPolarHBondContact CE2-OG 3.06Å; F324-S328 WeakPolarHBondContact CZ-OG 3.41Å; F324-S328 WeakPolarHBondContact O-CB 3.21Å; F324-S328 PolarHBondContact O-N 3.03Å; F324-S328 PolarHBondContact O-OG 3.45Å; Y326-S328 VanDerWaalsContact C-N 3.28Å; Y326-S328 PolarHBondContact O-N 3.03Å; S328-P332 WeakPolarHBondContact O-CA 3.45Å; S328-P332 WeakPolarHBondContact O-CB 3.47Å; S328-F335 WeakPolarHBondContact OG-CD2 3.44Å; S328-F335 WeakPolarHBondContact OG-CE2 3.27Å
329A90.9Very high86.6Confident28 Ų2823.7 Ų23.723%0.23116%0.161CC..Hα-helixtrans-82-35.7174.600000112.2L325 Y326 V327 M406 T412L325-A329 PolarHBondContact O-N 2.66Å; Y326-A329 WeakPolarHBondContact O-CB 3.5Å; Y326-A329 PolarHBondContact O-N 3.35Å; Y326-A329 VanDerWaalsContact O-N 3.08Å; V327-A329 PolarHBondContact O-N 3.4Å; A329-M406 HydrophobicContact CB-CE 3.69Å; A329-T412 HydrophobicContact CB-CG2 3.74Å; A329-T412 WeakPolarHBondContact CB-OG1 3.46Å
330V90.8Very high84.2Confident0 Ų026.6 Ų26.60%019%0.185CC..Hα-helixtrans-85.7-33.1-175.21730000112.8Y326 V327 P345 W346 T412 L556Y326-V330 HydrophobicContact CD2-CG2 3.98Å; Y326-V330 HydrophobicContact CE1-CG2 4.15Å; Y326-V330 HydrophobicContact CE2-CG2 3.55Å; Y326-V330 HydrophobicContact CG-CG2 4.46Å; Y326-V330 WeakPolarHBondContact O-CG2 3.48Å; Y326-V330 PolarHBondContact O-N 3.41Å; V327-V330 PolarHBondContact O-N 2.96Å; V330-P345 CarbonylContact O-C 3.46Å; V330-P345 WeakPolarHBondContact O-CA 3.28Å; V330-W346 HydrophobicContact CG1-CB 3.99Å; V330-W346 WeakPolarHBondContact CG1-O 3.24Å; V330-W346 PolarHBondContact O-N 3.06Å; V330-T412 HydrophobicContact CG2-CG2 4.46Å; V330-L556 HydrophobicContact CG2-CD2 3.9Å
331Q88.8Confident81.6Confident4 Ų435.1 Ų35.12%0.01923%0.227CC..  trans-139.765.1-178.1-16784.49.600110.1V327 S333 L334 I453V327-Q331 HydrophobicContact CG1-CB 4.18Å; V327-Q331 CarbonylContact O-C 3.57Å; V327-Q331 WeakPolarHBondContact O-CA 3.39Å; V327-Q331 PolarHBondContact O-N 3.2Å; Q331-S333 PolarHBondContact O-N 3.03Å; Q331-S333 VanDerWaalsContact O-N 3.13Å; Q331-L334 HydrophobicContact CB-CD1 4.12Å; Q331-L334 HydrophobicContact CB-CG 4.4Å; Q331-L334 HydrophobicContact CG-CB 4.48Å; Q331-L334 HydrophobicContact CG-CD1 3.58Å; Q331-L334 HydrophobicContact CG-CG 3.55Å; Q331-L334 PolarHBondContact O-N 2.94Å; Q331-I453 HydrophobicContact CG-CD1 4.37Å
332P86.2Confident79.2Confident5 Ų538.5 Ų38.53%0.03226%0.255CS..G310 helixtrans-60.4-26.1-175.523-33.7000113.5S328 L334 F335 V338 S343S328-P332 WeakPolarHBondContact O-CA 3.45Å; S328-P332 WeakPolarHBondContact O-CB 3.47Å; P332-L334 PolarHBondContact O-N 3.33Å; P332-F335 PolarHBondContact O-N 3.15Å; P332-F335 VanDerWaalsContact O-N 3.16Å; P332-V338 HydrophobicContact CB-CG1 3.87Å; P332-S343 WeakPolarHBondContact CG-O 3.39Å
333S83.9Confident77.4Confident56 Ų5641 Ų4139%0.39227%0.272SS..G310 helixtrans-63.9-18.2-179.5580000114.6Q331 F335Q331-S333 PolarHBondContact O-N 3.03Å; Q331-S333 VanDerWaalsContact O-N 3.13Å; S333-F335 VanDerWaalsContact C-N 3.27Å
334L85.1Confident76.1Confident28 Ų2842.7 Ų42.715%0.14729%0.29CS..G310 helixtrans-74.7-18.6176.6-71.1179000113.3G213 V327 Q331 P332 L449 W450 I453G213-L334 WeakPolarHBondContact CA-O 3.41Å; V327-L334 HydrophobicContact CG1-CD1 4.29Å; Q331-L334 HydrophobicContact CB-CD1 4.12Å; Q331-L334 HydrophobicContact CB-CG 4.4Å; Q331-L334 HydrophobicContact CG-CB 4.48Å; Q331-L334 HydrophobicContact CG-CD1 3.58Å; Q331-L334 HydrophobicContact CG-CG 3.55Å; Q331-L334 PolarHBondContact O-N 2.94Å; P332-L334 PolarHBondContact O-N 3.33Å; L334-L449 HydrophobicContact CD2-CD2 3.78Å; L334-L449 HydrophobicContact CD2-CG 4.45Å; L334-W450 HydrophobicContact CD1-CB 4.07Å; L334-I453 HydrophobicContact CD1-CD1 3.53Å
335F86.3Confident75.6Confident5 Ų542.4 Ų42.42%0.02229%0.291CS..SBendtrans-119134.4-171.2-53-67.1000110.7T211 F324 V327 S328 P332 S333 V338 W450T211-F335 HydrophobicContact CG2-CE1 3.99Å; F324-F335 HydrophobicContact CD2-CD1 4.28Å; F324-F335 AromaticContact CD2-CE1 3.82Å; F324-F335 HydrophobicContact CD2-CE1 3.82Å; F324-F335 HydrophobicContact CD2-CE2 4.42Å; F324-F335 AromaticContact CD2-CZ 3.86Å; F324-F335 HydrophobicContact CD2-CZ 3.86Å; F324-F335 AromaticContact CE2-CD1 3.8Å; F324-F335 HydrophobicContact CE2-CD1 3.8Å; F324-F335 HydrophobicContact CE2-CD2 4.38Å; F324-F335 AromaticContact CE2-CE1 3.83Å; F324-F335 HydrophobicContact CE2-CE1 3.83Å; F324-F335 HydrophobicContact CE2-CE2 4.41Å; F324-F335 HydrophobicContact CE2-CG 4.05Å; F324-F335 HydrophobicContact CE2-CZ 4.1Å; V327-F335 HydrophobicContact CB-CE2 4.19Å; V327-F335 HydrophobicContact CB-CZ 4.27Å; V327-F335 HydrophobicContact CG1-CE2 3.87Å; V327-F335 HydrophobicContact CG1-CZ 3.99Å; S328-F335 WeakPolarHBondContact OG-CD2 3.44Å; S328-F335 WeakPolarHBondContact OG-CE2 3.27Å; P332-F335 PolarHBondContact O-N 3.15Å; P332-F335 VanDerWaalsContact O-N 3.16Å; S333-F335 VanDerWaalsContact C-N 3.27Å; F335-V338 HydrophobicContact CB-CG2 3.89Å; F335-W450 HydrophobicContact CE1-CB 3.87Å; F335-W450 AromaticContact CE1-CG 3.96Å; F335-W450 HydrophobicContact CE1-CG 3.96Å; F335-W450 HydrophobicContact CZ-CB 3.56Å; F335-W450 HydrophobicContact CZ-CD2 4.45Å; F335-W450 AromaticContact CZ-CG 3.99Å; F335-W450 HydrophobicContact CZ-CG 3.99Å
336Q70.9Confident75.4Confident31 Ų3140.3 Ų40.315%0.14528%0.278CS..THydrogen-bonded Turntrans-74.9136.7176.5-162.8172.919.800110.7R212 G213 F241 V338R212-Q336 PolarHBondContact O-N 2.9Å; G213-Q336 PolarHBondContact O-OE1 3.28Å; F241-Q336 HydrophobicContact CE1-CB 3.92Å; F241-Q336 HydrophobicContact CE1-CG 3.87Å; F241-Q336 VanDerWaalsContact CE1-OE1 3.28Å; F241-Q336 HydrophobicContact CZ-CB 4.19Å; F241-Q336 HydrophobicContact CZ-CG 4Å; Q336-V338 VanDerWaalsContact C-N 3.31Å; Q336-V338 PolarHBondContact O-N 3.05Å
337G61.2Low75.2Confident73 Ų7340.3 Ų40.375%0.75328%0.278SS*.THydrogen-bonded Turntrans85.1-12.6174.600000116.1
338V59.5Low75.2Confident50 Ų5040.3 Ų40.330%0.30328%0.279SS..SBendtrans-72.4132.5161-173.90000106.5P332 F335 Q336 A340P332-V338 HydrophobicContact CB-CG1 3.87Å; F335-V338 HydrophobicContact CB-CG2 3.89Å; Q336-V338 VanDerWaalsContact C-N 3.31Å; Q336-V338 PolarHBondContact O-N 3.05Å; V338-A340 VanDerWaalsContact C-N 3.26Å; V338-A340 PolarHBondContact O-N 3.02Å
339G52.5Low75.3Confident55 Ų5539.6 Ų39.657%0.56727%0.274SS*.  trans-55.880.3-17200000114.1M341G339-M341 PolarHBondContact O-N 3.47Å
340A46Very low75.4Confident62 Ų6238.9 Ų38.951%0.51227%0.265SS..THydrogen-bonded Turntrans-70.3-4-17100000113.4V338V338-A340 VanDerWaalsContact C-N 3.26Å; V338-A340 PolarHBondContact O-N 3.02Å
341M44.8Very low75.4Confident179 Ų17940 Ų4088%0.88227%0.271SS*.THydrogen-bonded Turntrans-94.6-8.6-168.3-63-102.868.700114G339G339-M341 PolarHBondContact O-N 3.47Å
342T46.7Very low75.4Confident133 Ų13340.1 Ų40.182%0.81627%0.272SS*.THydrogen-bonded Turntrans-125.5-18.9-170.957.10000117
343S59Low75.1Confident56 Ų5642.7 Ų42.739%0.39229%0.29SS..  trans-133.8120.5-179.858.70000111.9P332P332-S343 WeakPolarHBondContact CG-O 3.39Å
344G70.9Confident75.1Confident36 Ų3642.4 Ų42.437%0.37129%0.288SS..  trans-67.9170.5174.300000113
345P86.1Confident75.1Confident16 Ų1641.5 Ų41.510%0.10428%0.284CS..  trans-66.8156.4-179.122.4-25000112.3V330 C559V330-P345 CarbonylContact O-C 3.46Å; V330-P345 WeakPolarHBondContact O-CA 3.28Å; P345-C559 HydrophobicContact CB-CB 4.37Å; P345-C559 HydrophobicContact CG-CB 3.96Å; P345-C559 WeakPolarHBondContact O-CA 3.08Å; P345-C559 WeakPolarHBondContact O-CB 3.48Å; P345-C559 PolarHBondContact O-N 2.96Å
346W90.8Very high75Confident14 Ų1442.7 Ų42.75%0.05329%0.288CS..EExtended strand (participates in β ladder)trans-119.3141.5-179.1-66.681.6000111.1V330 E405 M406 R498 L556 L557 P558V330-W346 HydrophobicContact CG1-CB 3.99Å; V330-W346 WeakPolarHBondContact CG1-O 3.24Å; V330-W346 PolarHBondContact O-N 3.06Å; W346-E405 HydrophobicContact CH2-CB 3.68Å; W346-E405 HydrophobicContact CZ2-CB 4.28Å; W346-M406 HydrophobicContact CH2-CB 4.03Å; W346-M406 HydrophobicContact CZ2-CB 3.97Å; W346-M406 HydrophobicContact CZ2-CG 4.48Å; W346-R498 VanDerWaalsContact O-CZ 3.31Å; W346-R498 PolarHBondContact O-NH1 2.73Å; W346-R498 PolarHBondContact O-NH2 3.23Å; W346-L556 HydrophobicContact CB-CD2 3.51Å; W346-L556 HydrophobicContact CB-CG 4.27Å; W346-L556 HydrophobicContact CD2-CD2 4.16Å; W346-L556 HydrophobicContact CE3-CB 4.31Å; W346-L556 HydrophobicContact CE3-CD2 4.06Å; W346-L556 HydrophobicContact CG-CD2 3.97Å; W346-L557 CarbonylContact C-O 3.46Å; W346-L557 VanDerWaalsContact CA-O 3.31Å; W346-L557 WeakPolarHBondContact CA-O 3.46Å; W346-P558 HydrophobicContact CE3-CB 4.44Å; W346-P558 HydrophobicContact CE3-CG 3.96Å; W346-P558 HydrophobicContact CH2-CG 3.68Å; W346-P558 HydrophobicContact CZ2-CG 4.28Å; W346-P558 HydrophobicContact CZ3-CB 4.4Å; W346-P558 VanDerWaalsContact CZ3-CD 3.48Å; W346-P558 HydrophobicContact CZ3-CG 3.5Å; W346-P558 VanDerWaalsContact CZ3-CG 3.5Å
347I92.3Very high75.5Confident0 Ų044.1 Ų44.10%030%0.302CS..EExtended strand (participates in β ladder)trans-121.4133.5-176.660.1-177000111.2V349 R498 I501 Q502 L556 L557 C559I347-V349 HydrophobicContact CD1-CG1 4.36Å; I347-V349 HydrophobicContact CG1-CG1 4.2Å; I347-R498 HydrophobicContact CG2-CB 3.78Å; I347-R498 HydrophobicContact CG2-CG 3.54Å; I347-I501 HydrophobicContact CD1-CB 3.95Å; I347-I501 HydrophobicContact CD1-CD1 3.63Å; I347-I501 HydrophobicContact CD1-CG1 4.39Å; I347-I501 HydrophobicContact CD1-CG2 3.56Å; I347-Q502 HydrophobicContact CB-CG 4.45Å; I347-L556 WeakPolarHBondContact O-CA 3.39Å; I347-L557 HydrophobicContact CD1-CD2 4.25Å; I347-L557 HydrophobicContact CG1-CB 3.94Å; I347-L557 HydrophobicContact CG1-CD2 4.42Å; I347-L557 WeakPolarHBondContact CG1-O 3.3Å; I347-L557 PolarHBondContact N-O 2.92Å; I347-L557 PolarHBondContact O-N 3.17Å; I347-C559 HydrophobicContact CG2-CB 4.1Å
348L94.6Very high75.7Confident1 Ų145.1 Ų45.11%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-85.7120.3175.8-175.871.4000109.5I399 D457 I460 Q502 L554 L556L348-I399 HydrophobicContact CD1-CD1 4.09Å; L348-I399 HydrophobicContact CD1-CG1 4.09Å; L348-I399 HydrophobicContact CD1-CG2 3.73Å; L348-D457 HydrophobicContact CD2-CB 3.91Å; L348-D457 VanDerWaalsContact CD2-O 3.25Å; L348-D457 WeakPolarHBondContact CD2-O 3.32Å; L348-I460 HydrophobicContact CD2-CB 4.3Å; L348-I460 HydrophobicContact CD2-CG2 4.13Å; L348-I460 HydrophobicContact CG-CG2 4.37Å; L348-Q502 PolarHBondContact O-NE2 3.28Å; L348-Q502 VanDerWaalsContact O-NE2 3.13Å; L348-L554 HydrophobicContact CD1-CB 3.78Å; L348-L554 HydrophobicContact CD1-CD1 4.08Å; L348-L554 HydrophobicContact CD2-CD1 3.95Å; L348-L554 HydrophobicContact CG-CB 4.43Å; L348-L554 HydrophobicContact CG-CD1 4.08Å; L348-L556 HydrophobicContact CB-CD1 4.48Å; L348-L556 HydrophobicContact CD1-CD1 3.87Å
349V94.6Very high75.7Confident0 Ų044.5 Ų44.50%029%0.286CS..EExtended strand (participates in β ladder)trans-139168.9-175.1-67.10000111.3I347 I501 L554 R555 L557 F567I347-V349 HydrophobicContact CD1-CG1 4.36Å; I347-V349 HydrophobicContact CG1-CG1 4.2Å; V349-I501 HydrophobicContact CG1-CG2 3.95Å; V349-L554 CarbonylContact O-C 3.4Å; V349-L554 VanDerWaalsContact O-CA 3.3Å; V349-L554 WeakPolarHBondContact O-CA 3.32Å; V349-R555 HydrophobicContact CG2-CB 4.47Å; V349-R555 WeakPolarHBondContact CG2-O 3.35Å; V349-R555 PolarHBondContact N-O 3.49Å; V349-R555 PolarHBondContact O-N 2.99Å; V349-L557 HydrophobicContact CG2-CB 4.17Å; V349-F567 HydrophobicContact CB-CE1 4.4Å; V349-F567 HydrophobicContact CB-CE2 3.84Å; V349-F567 HydrophobicContact CB-CZ 3.6Å; V349-F567 HydrophobicContact CG1-CE1 4.18Å; V349-F567 HydrophobicContact CG1-CE2 4.45Å; V349-F567 HydrophobicContact CG1-CZ 3.87Å; V349-F567 HydrophobicContact CG2-CD2 4.16Å; V349-F567 HydrophobicContact CG2-CE2 3.54Å; V349-F567 HydrophobicContact CG2-CZ 3.82Å
350E92.4Very high75.5Confident12 Ų1248 Ų486%0.05629%0.288CS..EExtended strand (participates in β ladder)trans-62141.9172.5-70.5-59.4136.700111.2L352 Y465 S505 Y508 A509 L554E350-L352 PolarHBondContact O-N 3.04Å; E350-Y465 WeakPolarHBondContact OE1-CE1 3.34Å; E350-Y465 PolarHBondContact OE1-OH 2.93Å; E350-S505 WeakPolarHBondContact CG-OG 3.36Å; E350-S505 PolarHBondContact N-OG 3.05Å; E350-Y508 HydrophobicContact CG-CD1 4.42Å; E350-A509 HydrophobicContact CG-CB 4.27Å; E350-L554 WeakPolarHBondContact OE1-CD2 3.41Å
351D90.6Very high75.3Confident24 Ų2450 Ų5013%0.12829%0.293CS..  trans-79.2120.9173.8-17656.4000111.4S353 L400 D553 R555D351-S353 VanDerWaalsContact OD2-CB 3.24Å; D351-S353 WeakPolarHBondContact OD2-CB 3.46Å; D351-S353 PolarHBondContact OD2-N 3.16Å; D351-S353 PolarHBondContact OD2-OG 2.5Å; D351-L400 HydrophobicContact CB-CD1 4.36Å; D351-D553 HydrophobicContact CB-CB 4.35Å; D351-D553 WeakPolarHBondContact CB-O 3.26Å; D351-D553 PolarHBondContact N-O 3.31Å; D351-R555 HydrophobicContact CB-CB 4.48Å; D351-R555 IonicContact OD1-CZ 3.7Å; D351-R555 IonicContact OD1-NE 2.89Å; D351-R555 PolarHBondContact OD1-NE 2.95Å; D351-R555 IonicContact OD1-NH2 3.58Å; D351-R555 PolarHBondContact OD1-NH2 3.25Å
352L88.1Confident74.8Confident7 Ų745.3 Ų45.34%0.03727%0.272CS..  trans-101.115.7-178.9-58.8176.9000113.2E350 S354 V355 Y508 F567 Q570 L571 A574E350-L352 PolarHBondContact O-N 3.04Å; L352-S354 PolarHBondContact O-N 2.8Å; L352-S354 VanDerWaalsContact O-N 3.1Å; L352-V355 HydrophobicContact CB-CB 4.48Å; L352-V355 VanDerWaalsContact O-CB 3.31Å; L352-V355 WeakPolarHBondContact O-CB 3.43Å; L352-V355 VanDerWaalsContact O-CG1 3.26Å; L352-V355 WeakPolarHBondContact O-CG1 3.35Å; L352-V355 PolarHBondContact O-N 3.27Å; L352-Y508 HydrophobicContact CD2-CE1 4.3Å; L352-F567 HydrophobicContact CD1-CD2 3.85Å; L352-F567 HydrophobicContact CD1-CE2 3.61Å; L352-F567 HydrophobicContact CD1-CZ 4.31Å; L352-F567 HydrophobicContact CG-CE2 4.16Å; L352-Q570 HydrophobicContact CB-CB 4.46Å; L352-Q570 HydrophobicContact CD1-CB 3.75Å; L352-L571 HydrophobicContact CD1-CB 3.78Å; L352-L571 HydrophobicContact CD1-CD1 4Å; L352-L571 HydrophobicContact CD1-CG 4.49Å; L352-L571 HydrophobicContact CD2-CD1 3.81Å; L352-L571 HydrophobicContact CG-CD1 4.48Å; L352-A574 HydrophobicContact CD2-CB 4.37Å
353S81.4Confident74.2Confident59 Ų5948.8 Ų48.841%0.41327%0.27SS..THydrogen-bonded Turntrans-60.4-24.4-177.266.80000113.7D351D351-S353 VanDerWaalsContact OD2-CB 3.24Å; D351-S353 WeakPolarHBondContact OD2-CB 3.46Å; D351-S353 PolarHBondContact OD2-N 3.16Å; D351-S353 PolarHBondContact OD2-OG 2.5Å
354S82.5Confident73Confident50 Ų5049 Ų4935%0.3528%0.275SS..THydrogen-bonded Turntrans-93.49.1175.161.80000114.2L352 Y356 S357L352-S354 PolarHBondContact O-N 2.8Å; L352-S354 VanDerWaalsContact O-N 3.1Å; S354-Y356 PolarHBondContact O-N 3.02Å; S354-Y356 VanDerWaalsContact O-N 3.15Å; S354-S357 WeakPolarHBondContact O-CB 3.26Å; S354-S357 PolarHBondContact O-N 3.13Å; S354-S357 PolarHBondContact O-OG 3.08Å
355V86.1Confident71.3Confident8 Ų852.7 Ų52.75%0.04829%0.29CS..THydrogen-bonded Turntrans-59.3-30.5-178.171.60000112.3L352 L573 A574 K577L352-V355 HydrophobicContact CB-CB 4.48Å; L352-V355 VanDerWaalsContact O-CB 3.31Å; L352-V355 WeakPolarHBondContact O-CB 3.43Å; L352-V355 VanDerWaalsContact O-CG1 3.26Å; L352-V355 WeakPolarHBondContact O-CG1 3.35Å; L352-V355 PolarHBondContact O-N 3.27Å; V355-L573 HydrophobicContact CG2-CB 4.4Å; V355-L573 HydrophobicContact CG2-CD2 4.05Å; V355-L573 HydrophobicContact CG2-CG 4.06Å; V355-A574 HydrophobicContact CG2-CB 3.81Å; V355-K577 WeakPolarHBondContact O-CD 3.49Å; V355-K577 WeakPolarHBondContact O-CE 3.28Å; V355-K577 PolarHBondContact O-NZ 3.12Å
356Y85Confident68.8Low30 Ų3055.7 Ų55.712%0.11831%0.305CS..THydrogen-bonded Turntrans-90.3-5.2176.8-56.3-66.5000114.5S354 L573 L597 D600 Q603 G604S354-Y356 PolarHBondContact O-N 3.02Å; S354-Y356 VanDerWaalsContact O-N 3.15Å; Y356-L573 HydrophobicContact CD1-CD2 4.13Å; Y356-L573 HydrophobicContact CE1-CD2 3.42Å; Y356-L573 VanDerWaalsContact CE1-CD2 3.42Å; Y356-L597 HydrophobicContact CD1-CD2 4.17Å; Y356-L597 HydrophobicContact CE1-CD2 4.02Å; Y356-D600 HydrophobicContact CE2-CB 3.99Å; Y356-D600 WeakPolarHBondContact OH-CB 3.28Å; Y356-D600 PolarHBondContact OH-OD2 3.49Å; Y356-Q603 HydrophobicContact CD2-CB 4.33Å; Y356-G604 VanDerWaalsContact CD1-CA 3.47Å
357S80.7Confident65.9Low61 Ų6162.7 Ų62.743%0.42734%0.336SS..SBendtrans-69.7168.7178.676.10000111.7S354 K577S354-S357 WeakPolarHBondContact O-CB 3.26Å; S354-S357 PolarHBondContact O-N 3.13Å; S354-S357 PolarHBondContact O-OG 3.08Å; S357-K577 WeakPolarHBondContact O-CE 3.41Å; S357-K577 PolarHBondContact O-NZ 3.4Å
358D65.8Low63.3Low95 Ų9571 Ų7151%0.50837%0.374SS..  trans-59148.4179.2-142.3-23.8000112.9E360 K610D358-E360 PolarHBondContact O-N 3.28Å; D358-K610 IonicContact OD1-NZ 3.23Å; D358-K610 PolarHBondContact OD1-NZ 3.34Å; D358-K610 IonicContact OD2-NZ 3.28Å; D358-K610 PolarHBondContact OD2-NZ 3.04Å
359V59Low60.3Low37 Ų3773.9 Ų73.922%0.22440%0.399CS..  trans-76.782.6165.6-176.50000105.9V361 K577 F581V359-V361 VanDerWaalsContact C-N 3.31Å; V359-V361 HydrophobicContact CG1-CG2 3.99Å; V359-V361 PolarHBondContact O-N 3.38Å; V359-K577 HydrophobicContact CG2-CD 4.31Å; V359-K577 HydrophobicContact CG2-CG 4.03Å; V359-F581 HydrophobicContact CG2-CB 4.49Å; V359-F581 HydrophobicContact CG2-CD2 4.22Å
360E47.7Very low57.3Low128 Ų12880.7 Ų80.760%0.59843%0.43SS*.  trans-64.199.5164.8-76.5-172.517500107.1D358 D362 K550D358-E360 PolarHBondContact O-N 3.28Å; E360-D362 PolarHBondContact O-N 3.06Å; E360-K550 WeakPolarHBondContact OE2-CE 3.45Å; E360-K550 IonicContact OE2-NZ 3.63Å; E360-K550 PolarHBondContact OE2-NZ 3Å
361V43Very low54.3Low103 Ų10389.5 Ų89.562%0.62447%0.468SS*.  trans-69.474.5167.7-175.70000107.2V359 R363V359-V361 VanDerWaalsContact C-N 3.31Å; V359-V361 HydrophobicContact CG1-CG2 3.99Å; V359-V361 PolarHBondContact O-N 3.38Å; V361-R363 PolarHBondContact O-N 3.31Å; V361-R363 VanDerWaalsContact O-N 3.07Å
362D33.1Very low51.8Low81 Ų8195.5 Ų95.543%0.43349%0.493SS..  trans-66.5109.8176.8-110.1-27.8000107.6E360 A364 T365 K550E360-D362 PolarHBondContact O-N 3.06Å; D362-A364 PolarHBondContact O-N 2.94Å; D362-T365 PolarHBondContact O-N 3.33Å; D362-T365 PolarHBondContact O-OG1 3.41Å; D362-K550 IonicContact OD2-NZ 2.79Å; D362-K550 PolarHBondContact OD2-NZ 3.35Å
363R35.6Very low49.2Very low206 Ų206106.2 Ų106.278%0.77753%0.533SS*.Hα-helixtrans-53.6-0.3171.7-85.7178.5165.5-177.2-3.3114.1V361 K367V361-R363 PolarHBondContact O-N 3.31Å; V361-R363 VanDerWaalsContact O-N 3.07Å; R363-K367 WeakPolarHBondContact O-CG 3.45Å
364A32.9Very low47Very low60 Ų60113 Ų11350%0.49656%0.555SS.*Hα-helixtrans-76.2-36.3179.100000113.3D362 L366 K367D362-A364 PolarHBondContact O-N 2.94Å; A364-L366 VanDerWaalsContact C-N 3.35Å; A364-K367 PolarHBondContact O-N 3.09Å
365T34.1Very low44.4Very low114 Ų114119 Ų11970%0.69958%0.582SS**Hα-helixtrans-73.2-27.7177.547.30000112.5D362D362-T365 PolarHBondContact O-N 3.33Å; D362-T365 PolarHBondContact O-OG1 3.41Å
366L34.9Very low41.7Very low80 Ų80123.7 Ų123.742%0.41962%0.622SS.*Hα-helixtrans-74.8-22.1173.5-81.5151.7000113.7A364 H368 A369 H370A364-L366 VanDerWaalsContact C-N 3.35Å; L366-H368 VanDerWaalsContact C-N 3.34Å; L366-H368 PolarHBondContact O-N 3.44Å; L366-A369 PolarHBondContact O-N 3.13Å; L366-H370 WeakPolarHBondContact CD2-NE2 3.47Å; L366-H370 PolarHBondContact O-CD2 3.41Å; L366-H370 PolarHBondContact O-N 3.1Å; L366-H370 VanDerWaalsContact O-N 3.11Å
367K28.7Very low39Very low161 Ų161130.2 Ų130.270%0.766%0.659SS**Hα-helixtrans-72.5-23.9-179.5-81.7-179.7-179.1-177.90113.8R363 A364R363-K367 WeakPolarHBondContact O-CG 3.45Å; A364-K367 PolarHBondContact O-N 3.09Å
368H38.1Very low36.7Very low173 Ų173130.5 Ų130.580%0.80167%0.672SS**Hα-helixtrans-82.8-19.1171.6-74.8-75.9000113.3L366L366-H368 VanDerWaalsContact C-N 3.34Å; L366-H368 PolarHBondContact O-N 3.44Å
369A32.6Very low34.9Very low62 Ų62137.5 Ų137.551%0.51269%0.691SS.*Hα-helixtrans-85.4-36.7176.300000113.2L366 K371 K372L366-A369 PolarHBondContact O-N 3.13Å; A369-K371 PolarHBondContact O-N 3.3Å; A369-K372 PolarHBondContact O-N 3.21Å
370H30.9Very low33.7Very low143 Ų143145.4 Ų145.466%0.66273%0.726SS**THydrogen-bonded Turntrans-81-7.2-173.2-76.3-66.4000116.1L366 K372L366-H370 WeakPolarHBondContact CD2-NE2 3.47Å; L366-H370 PolarHBondContact O-CD2 3.41Å; L366-H370 PolarHBondContact O-N 3.1Å; L366-H370 VanDerWaalsContact O-N 3.11Å; H370-K372 VanDerWaalsContact C-N 3.29Å
371K30.2Very low32.6Very low198 Ų198148.3 Ų148.386%0.86174%0.736SS**THydrogen-bonded Turntrans-80.9-6.9171.1-158.1173.1179.3-178.20113.2A369A369-K371 PolarHBondContact O-N 3.3Å
372K38Very low32Very low149 Ų149150.3 Ų150.365%0.64875%0.749SS**SBendtrans-10640.9178.8-78.6-167.6173-1730114A369 H370 M383A369-K372 PolarHBondContact O-N 3.21Å; H370-K372 VanDerWaalsContact C-N 3.29Å; K372-M383 PolarHBondContact NZ-SD 3.11Å
373R32.6Very low31.7Very low232 Ų232153.6 Ų153.688%0.87576%0.763SS**  trans-138.859.4168.7-148.9179.7-161-176.56.1112.2
374K34.7Very low31.3Very low201 Ų201148.3 Ų148.387%0.87476%0.758SS**SBendtrans-156.7114.3154.3-120.9178.2-179.7-176.80109.6
375L29.2Very low31.3Very low176 Ų176150 Ų15092%0.92177%0.766SS**  trans119.286.7172.9-69158.6000111.4
376A30Very low31.3Very low107 Ų107150.2 Ų150.288%0.88476%0.763SS**  trans-79.1108.5154.700000107
377D27.1Very low31.2Very low167 Ų167154 Ų15489%0.89378%0.784SS**  trans-155.9144.9140.9-150.7-2.2000109.7
378G32.3Very low31.3Very low68 Ų68155.2 Ų155.270%0.70179%0.792SS**  trans-71133.4-152.600000117.4
379R28.8Very low31Very low242 Ų242156.4 Ų156.491%0.91380%0.798SS**  trans-172.8119131.8-124.2173.3172.6169.3-2.4109.1K381R379-K381 PolarHBondContact O-N 2.75Å
380E32.8Very low30.7Very low202 Ų202156.1 Ų156.194%0.94480%0.801SS**  trans-57122.6171.7-77.7176138.500110.6
381K26.1Very low30.8Very low189 Ų189158.3 Ų158.382%0.82282%0.817SS**  trans-134.6120.2156.1-80.6-170.6175.9-176.10108.2R379 M383R379-K381 PolarHBondContact O-N 2.75Å; K381-M383 PolarHBondContact O-N 2.88Å
382T29.3Very low30.8Very low146 Ų146152.1 Ų152.190%0.89681%0.81SS**  trans-57.1118.716840.90000109.1S384T382-S384 PolarHBondContact O-N 3.22Å
383M26.2Very low30.7Very low149 Ų149155.7 Ų155.773%0.73483%0.825SS**  trans-81.9107.5173.9-70.7-149.8-35.500109.7K372 K381K372-M383 PolarHBondContact NZ-SD 3.11Å; K381-M383 PolarHBondContact O-N 2.88Å
384S27Very low31Very low96 Ų96147.7 Ų147.767%0.67181%0.814SS**  trans-63.8139.8161.6-171.40000109.9T382T382-S384 PolarHBondContact O-N 3.22Å
385S34.6Very low31.8Very low95 Ų95148.1 Ų148.166%0.66481%0.811SS**  trans-109.957.1178.8171.60000108.6
386D32.6Very low33.3Very low118 Ų118142 Ų14263%0.63179%0.79SS**  trans-1240.9-176.8-91.2-25000115.1
387D33.4Very low35.6Very low160 Ų160139.4 Ų139.486%0.85676%0.757SS**  trans-108.580.7-179.9-66.9-25.6000112.2
388E31.6Very low38.4Very low187 Ų187136.4 Ų136.487%0.87474%0.738SS**  trans-138.266152.6-89.2-76.3162.600107.6
389E31.5Very low41.3Very low197 Ų197133.8 Ų133.892%0.92171%0.707SS**  trans-88.3117.9155.5-86.6-168159.700108.8
390G26.5Very low44.2Very low56 Ų56125.5 Ų125.558%0.57768%0.681SS**SBendtrans16969.6175.100000115.5G392G390-G392 VanDerWaalsContact C-N 3.28Å; G390-G392 PolarHBondContact O-N 3.24Å
391L33.3Very low46.8Very low189 Ų189117 Ų11799%0.9964%0.643SS**  trans41.343.4144.8-69.7162.8000117.4
392G28.6Very low49.5Very low69 Ų69111.5 Ų111.571%0.71162%0.622SS**  trans-87.5117.3171.700000110.7G390 G394G390-G392 VanDerWaalsContact C-N 3.28Å; G390-G392 PolarHBondContact O-N 3.24Å; G392-G394 PolarHBondContact O-N 3.14Å
393K36.6Very low51.9Low224 Ų224112.1 Ų112.197%0.97461%0.613SS**  trans-6371.4162.6-73.1178.5176.3174.90110
394G38.2Very low54.6Low63 Ų63110.5 Ų110.565%0.64961%0.611SS**PPolyproline II helixtrans-81.5125.4170.800000109.2G392 G396G392-G394 PolarHBondContact O-N 3.14Å; G394-G396 PolarHBondContact O-N 3.44Å; G394-G396 VanDerWaalsContact O-N 3.08Å
395R52.5Low57.1Low211 Ų211111 Ų11180%0.79660%0.603SS**PPolyproline II helixtrans-53.5118171.5-77.5178.5171.5171.2-0.6108.3
396G60.6Low59.5Low47 Ų47107.1 Ų107.149%0.48557%0.574SS.*PPolyproline II helixtrans-62.8149.8-172.700000113.1G394G394-G396 PolarHBondContact O-N 3.44Å; G394-G396 VanDerWaalsContact O-N 3.08Å
397R78.6Confident61.8Low52 Ų52106.5 Ų106.520%0.19658%0.577CS.*PPolyproline II helixtrans-59.1132.4174.2-62.6-175173-171.2-17.7110.6I460 H461 Y465 N552R397-I460 PolarHBondContact NH1-O 3.17Å; R397-H461 WeakPolarHBondContact CD-O 3.47Å; R397-H461 PolarHBondContact O-NE2 2.64Å; R397-Y465 VanDerWaalsContact NH1-CZ 3.28Å; R397-Y465 PolarHBondContact NH1-OH 3.42Å; R397-Y465 PolarHBondContact NH2-OH 3.42Å; R397-N552 WeakPolarHBondContact CB-O 3.38Å; R397-N552 VanDerWaalsContact CD-O 3.3Å; R397-N552 WeakPolarHBondContact CD-O 3.46Å; R397-N552 VanDerWaalsContact CG-O 3.22Å; R397-N552 WeakPolarHBondContact CG-O 3.41Å
398H86.5Confident64.3Low105 Ų105103.7 Ų103.749%0.48656%0.562SS.*PPolyproline II helixtrans-86.7144.1176.7-64.1-70.3000110.5D553 L554H398-D553 WeakPolarHBondContact CB-OD1 2.93Å; H398-D553 IonicContact CD2-OD1 3.96Å; H398-D553 IonicContact CG-OD1 3.93Å; H398-D553 PolarHBondContact N-OD1 3.05Å; H398-L554 PolarHBondContact O-N 2.92Å
399I91.3Very high67.1Low13 Ų1395.7 Ų95.77%0.06752%0.524CS..EExtended strand (participates in β ladder)trans-102.1117.5169.7-55172.8000107.4L348 V401 W409 L413 F416 L554 L556L348-I399 HydrophobicContact CD1-CD1 4.09Å; L348-I399 HydrophobicContact CD1-CG1 4.09Å; L348-I399 HydrophobicContact CD1-CG2 3.73Å; I399-V401 HydrophobicContact CG2-CG2 4.49Å; I399-W409 HydrophobicContact CB-CH2 4.06Å; I399-W409 HydrophobicContact CB-CZ2 3.81Å; I399-W409 HydrophobicContact CG2-CH2 3.54Å; I399-W409 HydrophobicContact CG2-CZ2 3.61Å; I399-L413 HydrophobicContact CD1-CD1 4.34Å; I399-F416 HydrophobicContact CD1-CD1 4.04Å; I399-F416 HydrophobicContact CD1-CE1 3.83Å; I399-F416 HydrophobicContact CD1-CZ 4.28Å; I399-L554 CarbonylContact C-O 3.5Å; I399-L554 WeakPolarHBondContact CA-O 3.12Å; I399-L554 HydrophobicContact CG1-CB 4.4Å; I399-L556 HydrophobicContact CG2-CB 4.41Å; I399-L556 HydrophobicContact CG2-CD1 3.76Å
400L89.9Confident69.9Low68 Ų6890.4 Ų90.436%0.35651%0.508SS..EExtended strand (participates in β ladder)trans-93.5137180-58.2176.6000110D351 D553 L554 R555 L556D351-L400 HydrophobicContact CB-CD1 4.36Å; L400-D553 HydrophobicContact CD1-CB 4.32Å; L400-L554 PolarHBondContact N-O 3.28Å; L400-R555 WeakPolarHBondContact O-CA 3.32Å; L400-L556 PolarHBondContact O-N 3.2Å
401V88.1Confident73.1Confident23 Ų2393.7 Ų93.714%0.13951%0.509CS..  trans-141.6142.1179.2174.60000109.7I399 K403 M406 W409 L556I399-V401 HydrophobicContact CG2-CG2 4.49Å; V401-K403 PolarHBondContact O-N 3.37Å; V401-K403 VanDerWaalsContact O-N 3.16Å; V401-M406 HydrophobicContact CG1-CB 3.75Å; V401-M406 HydrophobicContact CG1-SD 4.22Å; V401-W409 HydrophobicContact CB-CD2 3.83Å; V401-W409 HydrophobicContact CB-CE3 4.39Å; V401-W409 HydrophobicContact CB-CG 3.92Å; V401-W409 HydrophobicContact CB-CZ2 4.45Å; V401-W409 HydrophobicContact CG1-CB 4.37Å; V401-W409 HydrophobicContact CG1-CD2 4.2Å; V401-W409 HydrophobicContact CG1-CG 4.11Å; V401-W409 HydrophobicContact CG2-CD2 3.51Å; V401-W409 VanDerWaalsContact CG2-CE2 3.41Å; V401-W409 HydrophobicContact CG2-CE3 3.72Å; V401-W409 HydrophobicContact CG2-CG 4.16Å; V401-W409 HydrophobicContact CG2-CH2 3.78Å; V401-W409 HydrophobicContact CG2-CZ2 3.55Å; V401-W409 HydrophobicContact CG2-CZ3 3.85Å; V401-L556 HydrophobicContact CG2-CB 3.44Å; V401-L556 VanDerWaalsContact CG2-CB 3.44Å; V401-L556 HydrophobicContact CG2-CG 4.47Å
402N83.1Confident75.9Confident73 Ų7385.2 Ų85.239%0.3946%0.464SS..  trans-71.7104167.8-171.6-1000109.8T404 E405 M406N402-T404 PolarHBondContact ND2-OG1 3.03Å; N402-T404 PolarHBondContact O-N 3.05Å; N402-T404 VanDerWaalsContact O-N 3.14Å; N402-T404 PolarHBondContact OD1-N 2.82Å; N402-T404 PolarHBondContact OD1-OG1 3Å; N402-E405 HydrophobicContact CB-CB 4.34Å; N402-E405 HydrophobicContact CB-CG 4.27Å; N402-E405 VanDerWaalsContact ND2-CD 3.34Å; N402-E405 PolarHBondContact ND2-OE1 2.58Å; N402-E405 PolarHBondContact O-N 2.89Å; N402-M406 PolarHBondContact O-N 3.33Å; N402-M406 VanDerWaalsContact O-N 3.15Å
403K80.1Confident79Confident160 Ų16083.1 Ų83.170%0.69644%0.437SS*.THydrogen-bonded Turntrans-61.5-23.2-175.8-65.2-174.7179.9-177.10113.7V401 E405 M406V401-K403 PolarHBondContact O-N 3.37Å; V401-K403 VanDerWaalsContact O-N 3.16Å; K403-E405 VanDerWaalsContact C-N 3.31Å; K403-M406 CarbonylContact O-C 3.49Å
404T81.9Confident81.8Confident115 Ų11576.6 Ų76.671%0.70641%0.41SS*.THydrogen-bonded Turntrans-72.2-29.5176.460.70000111.9N402N402-T404 PolarHBondContact ND2-OG1 3.03Å; N402-T404 PolarHBondContact O-N 3.05Å; N402-T404 VanDerWaalsContact O-N 3.14Å; N402-T404 PolarHBondContact OD1-N 2.82Å; N402-T404 PolarHBondContact OD1-OG1 3Å
405E80.3Confident84.6Confident105 Ų10574.4 Ų74.449%0.49139%0.385SS..THydrogen-bonded Turntrans-89.6-23.6-179.9-65.7170.5-167.500112.1W346 N402 K403 P558W346-E405 HydrophobicContact CH2-CB 3.68Å; W346-E405 HydrophobicContact CZ2-CB 4.28Å; N402-E405 HydrophobicContact CB-CB 4.34Å; N402-E405 HydrophobicContact CB-CG 4.27Å; N402-E405 VanDerWaalsContact ND2-CD 3.34Å; N402-E405 PolarHBondContact ND2-OE1 2.58Å; N402-E405 PolarHBondContact O-N 2.89Å; K403-E405 VanDerWaalsContact C-N 3.31Å; E405-P558 WeakPolarHBondContact OE2-CG 3.38Å
406M83.6Confident86.7Confident15 Ų1564.4 Ų64.47%0.07435%0.347CS..  trans-134.184.3177-164.6176.8-167.300111.9A329 W346 V401 N402 K403 N408 W409 T412 L556A329-M406 HydrophobicContact CB-CE 3.69Å; W346-M406 HydrophobicContact CH2-CB 4.03Å; W346-M406 HydrophobicContact CZ2-CB 3.97Å; W346-M406 HydrophobicContact CZ2-CG 4.48Å; V401-M406 HydrophobicContact CG1-CB 3.75Å; V401-M406 HydrophobicContact CG1-SD 4.22Å; N402-M406 PolarHBondContact O-N 3.33Å; N402-M406 VanDerWaalsContact O-N 3.15Å; K403-M406 CarbonylContact O-C 3.49Å; M406-N408 PolarHBondContact O-N 2.97Å; M406-W409 HydrophobicContact CE-CE3 4.31Å; M406-W409 HydrophobicContact CG-CB 4.32Å; M406-W409 WeakPolarHBondContact O-CB 3.39Å; M406-W409 PolarHBondContact O-N 3.14Å; M406-W409 HydrophobicContact SD-CE3 3.71Å; M406-W409 HydrophobicContact SD-CZ3 4.41Å; M406-T412 HydrophobicContact CE-CG2 3.79Å; M406-L556 HydrophobicContact SD-CD2 4.32Å
407P82.1Confident88.4Confident105 Ų10567.5 Ų67.568%0.68234%0.344SS*.THydrogen-bonded Turntrans-60.3-38.5-174.9-26.735.4000114.6W409P407-W409 PolarHBondContact O-N 3.12Å
408N85.7Confident89.2Confident101 Ų10165.7 Ų65.754%0.5434%0.339SS..THydrogen-bonded Turntrans-87.218.4-176.5-63.7-1.7000113.5M406 S410 E411 T412M406-N408 PolarHBondContact O-N 2.97Å; N408-S410 PolarHBondContact O-N 2.87Å; N408-S410 VanDerWaalsContact O-N 3.13Å; N408-E411 PolarHBondContact O-N 3.43Å; N408-T412 PolarHBondContact O-N 2.92Å; N408-T412 PolarHBondContact O-OG1 3.15Å
409W90.2Very high89.8Confident19 Ų1960.7 Ų60.77%0.07232%0.316CS..Hα-helixtrans-54.4-35.5-174.1171.2-120.9000114.3I399 V401 M406 P407 E411 T412 L413 L556I399-W409 HydrophobicContact CB-CH2 4.06Å; I399-W409 HydrophobicContact CB-CZ2 3.81Å; I399-W409 HydrophobicContact CG2-CH2 3.54Å; I399-W409 HydrophobicContact CG2-CZ2 3.61Å; V401-W409 HydrophobicContact CB-CD2 3.83Å; V401-W409 HydrophobicContact CB-CE3 4.39Å; V401-W409 HydrophobicContact CB-CG 3.92Å; V401-W409 HydrophobicContact CB-CZ2 4.45Å; V401-W409 HydrophobicContact CG1-CB 4.37Å; V401-W409 HydrophobicContact CG1-CD2 4.2Å; V401-W409 HydrophobicContact CG1-CG 4.11Å; V401-W409 HydrophobicContact CG2-CD2 3.51Å; V401-W409 VanDerWaalsContact CG2-CE2 3.41Å; V401-W409 HydrophobicContact CG2-CE3 3.72Å; V401-W409 HydrophobicContact CG2-CG 4.16Å; V401-W409 HydrophobicContact CG2-CH2 3.78Å; V401-W409 HydrophobicContact CG2-CZ2 3.55Å; V401-W409 HydrophobicContact CG2-CZ3 3.85Å; M406-W409 HydrophobicContact CE-CE3 4.31Å; M406-W409 HydrophobicContact CG-CB 4.32Å; M406-W409 WeakPolarHBondContact O-CB 3.39Å; M406-W409 PolarHBondContact O-N 3.14Å; M406-W409 HydrophobicContact SD-CE3 3.71Å; M406-W409 HydrophobicContact SD-CZ3 4.41Å; P407-W409 PolarHBondContact O-N 3.12Å; W409-E411 VanDerWaalsContact C-N 3.31Å; W409-E411 PolarHBondContact O-N 3.06Å; W409-T412 HydrophobicContact CE3-CG2 4.13Å; W409-T412 HydrophobicContact CZ3-CG2 4Å; W409-T412 PolarHBondContact O-N 3.33Å; W409-L413 HydrophobicContact CD2-CB 4.29Å; W409-L413 HydrophobicContact CH2-CB 4.19Å; W409-L413 HydrophobicContact CH2-CD1 4.07Å; W409-L413 HydrophobicContact CZ2-CB 3.9Å; W409-L413 HydrophobicContact CZ2-CD1 3.79Å; W409-L413 HydrophobicContact CZ2-CD2 4.04Å; W409-L413 HydrophobicContact CZ2-CG 4.12Å; W409-L413 VanDerWaalsContact O-CB 3.27Å; W409-L413 WeakPolarHBondContact O-CB 3.38Å; W409-L413 PolarHBondContact O-N 2.94Å; W409-L556 HydrophobicContact CH2-CD1 3.92Å; W409-L556 HydrophobicContact CZ3-CD1 4.03Å; W409-L556 HydrophobicContact CZ3-CD2 4.22Å
410S90.8Very high90.1Very high85 Ų8563.4 Ų63.459%0.59433%0.325SS*.Hα-helixtrans-60.3-39.4178.545.70000113N408 E414N408-S410 PolarHBondContact O-N 2.87Å; N408-S410 VanDerWaalsContact O-N 3.13Å; S410-E414 WeakPolarHBondContact O-CB 3.43Å; S410-E414 PolarHBondContact O-N 3.29Å; S410-E414 VanDerWaalsContact O-N 3.11Å
411E92.8Very high90.4Very high126 Ų12664.1 Ų64.159%0.58933%0.326SS*.Hα-helixtrans-75-39.6179.3-64.2172.8-179.100110.6N408 W409 E414 S415N408-E411 PolarHBondContact O-N 3.43Å; W409-E411 VanDerWaalsContact C-N 3.31Å; W409-E411 PolarHBondContact O-N 3.06Å; E411-E414 PolarHBondContact O-N 3.02Å; E411-S415 WeakPolarHBondContact O-CB 3.22Å; E411-S415 PolarHBondContact O-N 2.88Å; E411-S415 PolarHBondContact O-OG 3.48Å
412T93.1Very high90.8Very high10 Ų1063 Ų636%0.06132%0.32CS..Hα-helixtrans-62.1-44.4174.5-56.10000111.8Y326 A329 V330 M406 N408 W409 E414 S415 F416Y326-T412 HydrophobicContact CD2-CG2 3.73Å; Y326-T412 HydrophobicContact CE2-CG2 4.3Å; A329-T412 HydrophobicContact CB-CG2 3.74Å; A329-T412 WeakPolarHBondContact CB-OG1 3.46Å; V330-T412 HydrophobicContact CG2-CG2 4.46Å; M406-T412 HydrophobicContact CE-CG2 3.79Å; N408-T412 PolarHBondContact O-N 2.92Å; N408-T412 PolarHBondContact O-OG1 3.15Å; W409-T412 HydrophobicContact CE3-CG2 4.13Å; W409-T412 HydrophobicContact CZ3-CG2 4Å; W409-T412 PolarHBondContact O-N 3.33Å; T412-E414 VanDerWaalsContact C-N 3.34Å; T412-S415 WeakPolarHBondContact O-CB 3.26Å; T412-S415 PolarHBondContact O-N 3.14Å; T412-F416 PolarHBondContact O-N 3.21Å
413L93.8Very high91.5Very high25 Ų2561.9 Ų61.913%0.13131%0.31CS..Hα-helixtrans-65.8-38.3177.9-179.858.3000111.6I399 W409 S415 F416 R417I399-L413 HydrophobicContact CD1-CD1 4.34Å; W409-L413 HydrophobicContact CD2-CB 4.29Å; W409-L413 HydrophobicContact CH2-CB 4.19Å; W409-L413 HydrophobicContact CH2-CD1 4.07Å; W409-L413 HydrophobicContact CZ2-CB 3.9Å; W409-L413 HydrophobicContact CZ2-CD1 3.79Å; W409-L413 HydrophobicContact CZ2-CD2 4.04Å; W409-L413 HydrophobicContact CZ2-CG 4.12Å; W409-L413 VanDerWaalsContact O-CB 3.27Å; W409-L413 WeakPolarHBondContact O-CB 3.38Å; W409-L413 PolarHBondContact O-N 2.94Å; L413-S415 VanDerWaalsContact C-N 3.35Å; L413-F416 PolarHBondContact O-N 3.23Å; L413-R417 WeakPolarHBondContact O-CG 3.32Å; L413-R417 PolarHBondContact O-N 3.33Å
414E94.7Very high92.3Very high88 Ų8857.2 Ų57.241%0.41129%0.293SS..Hα-helixtrans-67.1-38.7175.6-166.557.2-153.800111.7S410 E411 T412 R417 T418S410-E414 WeakPolarHBondContact O-CB 3.43Å; S410-E414 PolarHBondContact O-N 3.29Å; S410-E414 VanDerWaalsContact O-N 3.11Å; E411-E414 PolarHBondContact O-N 3.02Å; T412-E414 VanDerWaalsContact C-N 3.34Å; E414-R417 PolarHBondContact O-N 3.48Å; E414-R417 IonicContact OE2-NH1 2.96Å; E414-R417 PolarHBondContact OE2-NH1 2.88Å; E414-T418 WeakPolarHBondContact O-CB 3.19Å; E414-T418 PolarHBondContact O-N 2.86Å; E414-T418 PolarHBondContact O-OG1 3.08Å
415S96.8Very high93Very high17 Ų1752.7 Ų52.712%0.11926%0.264CS..Hα-helixtrans-61.6-43.4172.9-57.80000111.5S322 E411 T412 L413 T418 A419S322-S415 WeakPolarHBondContact CB-O 3.36Å; E411-S415 WeakPolarHBondContact O-CB 3.22Å; E411-S415 PolarHBondContact O-N 2.88Å; E411-S415 PolarHBondContact O-OG 3.48Å; T412-S415 WeakPolarHBondContact O-CB 3.26Å; T412-S415 PolarHBondContact O-N 3.14Å; L413-S415 VanDerWaalsContact C-N 3.35Å; S415-T418 PolarHBondContact O-N 2.9Å; S415-A419 WeakPolarHBondContact O-CB 3.39Å; S415-A419 PolarHBondContact O-N 3.33Å
416F96.8Very high93.8Very high1 Ų147.7 Ų47.70%0.00424%0.241CC..Hα-helixtrans-60-47.1174.6-179-98000112.4Y326 I399 T412 L413 A419 R420 F454 D457 H461Y326-F416 HydrophobicContact CD1-CD2 4.04Å; Y326-F416 HydrophobicContact CD2-CB 3.63Å; Y326-F416 AromaticContact CD2-CD2 3.83Å; Y326-F416 HydrophobicContact CD2-CD2 3.83Å; Y326-F416 HydrophobicContact CD2-CG 4.15Å; Y326-F416 AromaticContact CE1-CD2 3.86Å; Y326-F416 HydrophobicContact CE1-CD2 3.86Å; Y326-F416 HydrophobicContact CE1-CE2 4.29Å; Y326-F416 HydrophobicContact CE2-CB 4.01Å; Y326-F416 AromaticContact CE2-CD2 3.62Å; Y326-F416 HydrophobicContact CE2-CD2 3.62Å; Y326-F416 HydrophobicContact CE2-CE2 4.47Å; Y326-F416 HydrophobicContact CE2-CG 4.1Å; Y326-F416 HydrophobicContact CG-CB 4.14Å; Y326-F416 HydrophobicContact CG-CD2 4.02Å; Y326-F416 AromaticContact CZ-CD2 3.65Å; I399-F416 HydrophobicContact CD1-CD1 4.04Å; I399-F416 HydrophobicContact CD1-CE1 3.83Å; I399-F416 HydrophobicContact CD1-CZ 4.28Å; T412-F416 PolarHBondContact O-N 3.21Å; L413-F416 PolarHBondContact O-N 3.23Å; F416-A419 PolarHBondContact O-N 2.79Å; F416-R420 WeakPolarHBondContact O-CB 3.48Å; F416-R420 PolarHBondContact O-N 2.92Å; F416-F454 HydrophobicContact CD2-CD2 4.33Å; F416-F454 HydrophobicContact CD2-CE2 4.02Å; F416-F454 HydrophobicContact CE2-CD2 4.49Å; F416-F454 HydrophobicContact CE2-CE2 4.18Å; F416-D457 HydrophobicContact CE2-CB 4.33Å; F416-H461 HydrophobicContact CE1-CB 4.06Å; F416-H461 AromaticContact CE1-CG 3.7Å; F416-H461 AromaticContact CE1-ND1 3.81Å; F416-H461 HydrophobicContact CZ-CB 3.71Å; F416-H461 AromaticContact CZ-CG 3.9Å
417R95.6Very high94.4Very high112 Ų11249.7 Ų49.742%0.42325%0.25SC..Hα-helixtrans-62.5-46.7178.1-72.5172.2-177.6163.9-0.7111.8L413 E414 A419 R420 E421L413-R417 WeakPolarHBondContact O-CG 3.32Å; L413-R417 PolarHBondContact O-N 3.33Å; E414-R417 PolarHBondContact O-N 3.48Å; E414-R417 IonicContact OE2-NH1 2.96Å; E414-R417 PolarHBondContact OE2-NH1 2.88Å; R417-A419 VanDerWaalsContact C-N 3.31Å; R417-A419 PolarHBondContact O-N 2.94Å; R417-R420 PolarHBondContact O-N 2.95Å; R417-E421 WeakPolarHBondContact O-CB 3.44Å; R417-E421 VanDerWaalsContact O-CG 3.28Å; R417-E421 WeakPolarHBondContact O-CG 3.47Å; R417-E421 PolarHBondContact O-N 3.43Å
418T97.3Very high95Very high14 Ų1447.4 Ų47.49%0.08624%0.236CC..Hα-helixtrans-60.5-42.7179-580000111L286 V318 S322 E414 S415 S422L286-T418 HydrophobicContact CD2-CG2 3.68Å; V318-T418 HydrophobicContact CG1-CG2 3.59Å; S322-T418 VanDerWaalsContact OG-CG2 3.26Å; S322-T418 WeakPolarHBondContact OG-CG2 3.37Å; E414-T418 WeakPolarHBondContact O-CB 3.19Å; E414-T418 PolarHBondContact O-N 2.86Å; E414-T418 PolarHBondContact O-OG1 3.08Å; S415-T418 PolarHBondContact O-N 2.9Å; T418-S422 WeakPolarHBondContact O-CB 3.48Å; T418-S422 PolarHBondContact O-N 3.27Å; T418-S422 PolarHBondContact O-OG 2.92Å
419A98.2Very high95.3Very high0 Ų045.4 Ų45.40%022%0.224CC..Hα-helixtrans-63.2-48.7175.900000111.6L319 A323 S415 F416 R417 E421 S422 W423 F454L319-A419 HydrophobicContact CD1-CB 4.23Å; L319-A419 VanDerWaalsContact CD1-O 3.26Å; L319-A419 WeakPolarHBondContact CD1-O 3.3Å; A323-A419 HydrophobicContact CB-CB 4.18Å; S415-A419 WeakPolarHBondContact O-CB 3.39Å; S415-A419 PolarHBondContact O-N 3.33Å; F416-A419 PolarHBondContact O-N 2.79Å; R417-A419 VanDerWaalsContact C-N 3.31Å; R417-A419 PolarHBondContact O-N 2.94Å; A419-E421 PolarHBondContact O-N 3.34Å; A419-S422 PolarHBondContact O-N 3.35Å; A419-W423 PolarHBondContact O-N 3.13Å; A419-F454 HydrophobicContact CB-CD2 4.33Å; A419-F454 HydrophobicContact CB-CE1 4.18Å; A419-F454 HydrophobicContact CB-CE2 3.41Å; A419-F454 VanDerWaalsContact CB-CE2 3.41Å; A419-F454 HydrophobicContact CB-CZ 3.32Å
420R96.4Very high95.4Very high69 Ų6951 Ų5126%0.2626%0.255SS..Hα-helixtrans-59.1-48176.9178-173.7159.5166.3-0.9111.8F416 R417 S422 W423 D424 M458 H461F416-R420 WeakPolarHBondContact O-CB 3.48Å; F416-R420 PolarHBondContact O-N 2.92Å; R417-R420 PolarHBondContact O-N 2.95Å; R420-S422 PolarHBondContact O-N 3.39Å; R420-W423 WeakPolarHBondContact O-CB 3.36Å; R420-W423 PolarHBondContact O-N 2.69Å; R420-W423 VanDerWaalsContact O-N 3.15Å; R420-D424 IonicContact NE-OD2 2.79Å; R420-D424 PolarHBondContact NE-OD2 2.88Å; R420-D424 PolarHBondContact O-N 3.32Å; R420-M458 HydrophobicContact CB-CG 4.45Å; R420-M458 HydrophobicContact CG-CG 4.17Å; R420-M458 HydrophobicContact CG-SD 4.34Å; R420-H461 PolarHBondContact NH1-CE1 3Å; R420-H461 PolarHBondContact NH1-ND1 3.13Å
421E96.4Very high95.4Very high83 Ų8348.7 Ų48.739%0.38825%0.245SC..Hα-helixtrans-62-34.9179.5-73178.2176.700112.1K290 R417 A419 L425K290-E421 IonicContact NZ-OE2 3.37Å; K290-E421 PolarHBondContact NZ-OE2 3.2Å; R417-E421 WeakPolarHBondContact O-CB 3.44Å; R417-E421 VanDerWaalsContact O-CG 3.28Å; R417-E421 WeakPolarHBondContact O-CG 3.47Å; R417-E421 PolarHBondContact O-N 3.43Å; A419-E421 PolarHBondContact O-N 3.34Å; E421-L425 WeakPolarHBondContact O-CB 2.88Å; E421-L425 PolarHBondContact O-N 3.3Å
422S98Very high95.6Very high0 Ų042.9 Ų42.90%022%0.218CC..Hα-helixtrans-70.2-39.1175-55.10000111.7L286 V318 T418 A419 R420 L425 L426L286-S422 WeakPolarHBondContact CD1-OG 3.45Å; V318-S422 WeakPolarHBondContact CG1-OG 3.49Å; T418-S422 WeakPolarHBondContact O-CB 3.48Å; T418-S422 PolarHBondContact O-N 3.27Å; T418-S422 PolarHBondContact O-OG 2.92Å; A419-S422 PolarHBondContact O-N 3.35Å; R420-S422 PolarHBondContact O-N 3.39Å; S422-L425 PolarHBondContact O-N 3.47Å; S422-L426 WeakPolarHBondContact O-CG 3.47Å; S422-L426 PolarHBondContact O-N 2.96Å; S422-L426 VanDerWaalsContact O-N 3.07Å
423W97.6Very high95.8Very high50 Ų5044.8 Ų44.819%0.18923%0.226CC..Hα-helixtrans-61.8-50.1172.9177.1-86.9000111.8L319 A419 R420 L425 L426 H427 F436 F451 L455 M458L319-W423 HydrophobicContact CD1-CB 4.15Å; L319-W423 HydrophobicContact CD2-CE3 3.97Å; A419-W423 PolarHBondContact O-N 3.13Å; R420-W423 WeakPolarHBondContact O-CB 3.36Å; R420-W423 PolarHBondContact O-N 2.69Å; R420-W423 VanDerWaalsContact O-N 3.15Å; W423-L425 PolarHBondContact O-N 3.47Å; W423-L426 PolarHBondContact O-N 3.02Å; W423-H427 AromaticContact CD1-ND1 3.88Å; W423-H427 AromaticContact CD2-CE1 3.5Å; W423-H427 VanDerWaalsContact CD2-CE1 3.5Å; W423-H427 AromaticContact CD2-ND1 3.74Å; W423-H427 AromaticContact CE2-CE1 3.19Å; W423-H427 AromaticContact CE2-ND1 3.53Å; W423-H427 AromaticContact CE2-NE2 3.79Å; W423-H427 AromaticContact CE3-CE1 3.75Å; W423-H427 AromaticContact CG-ND1 3.98Å; W423-H427 AromaticContact CH2-CE1 3.51Å; W423-H427 AromaticContact CH2-NE2 3.78Å; W423-H427 AromaticContact CZ2-CE1 3.22Å; W423-H427 WeakPolarHBondContact CZ2-CE1 3.18Å; W423-H427 AromaticContact CZ2-ND1 4Å; W423-H427 AromaticContact CZ2-NE2 3.43Å; W423-H427 WeakPolarHBondContact CZ2-NE2 3.33Å; W423-H427 AromaticContact CZ3-CE1 3.75Å; W423-H427 AromaticContact NE1-CE1 3.72Å; W423-H427 AromaticContact NE1-ND1 3.59Å; W423-H427 PolarHBondContact O-N 2.59Å; W423-H427 VanDerWaalsContact O-N 3.13Å; W423-H427 PolarHBondContact O-ND1 2.95Å; W423-F436 HydrophobicContact CE3-CE1 4.23Å; W423-F436 HydrophobicContact CH2-CE1 4.45Å; W423-F436 AromaticContact CZ3-CE1 3.76Å; W423-F436 HydrophobicContact CZ3-CE1 3.76Å; W423-F436 HydrophobicContact CZ3-CZ 4.29Å; W423-F451 HydrophobicContact CE3-CZ 4.2Å; W423-F451 HydrophobicContact CZ3-CE1 4.2Å; W423-F451 AromaticContact CZ3-CZ 3.92Å; W423-F451 HydrophobicContact CZ3-CZ 3.92Å; W423-L455 HydrophobicContact CD2-CD2 4.11Å; W423-L455 HydrophobicContact CE3-CD2 3.68Å; W423-L455 HydrophobicContact CH2-CD1 4.34Å; W423-L455 HydrophobicContact CH2-CD2 3.66Å; W423-L455 HydrophobicContact CZ2-CD2 4.08Å; W423-L455 HydrophobicContact CZ3-CD1 4.45Å; W423-L455 HydrophobicContact CZ3-CD2 3.45Å; W423-L455 VanDerWaalsContact CZ3-CD2 3.45Å; W423-M458 HydrophobicContact CB-SD 3.91Å; W423-M458 VanDerWaalsContact CD1-CE 3.48Å; W423-M458 HydrophobicContact CD2-CE 3.84Å; W423-M458 HydrophobicContact CD2-SD 4.27Å; W423-M458 HydrophobicContact CG-CE 3.74Å; W423-M458 HydrophobicContact CG-SD 3.65Å; W423-M458 HydrophobicContact CZ2-CE 4.35Å
424D96.1Very high95.9Very high62 Ų6245.9 Ų45.933%0.33224%0.238SC..Hα-helixtrans-60.7-36.8179.2-68.8-17.1000110.5R420 H427 S428 Q462R420-D424 IonicContact NE-OD2 2.79Å; R420-D424 PolarHBondContact NE-OD2 2.88Å; R420-D424 PolarHBondContact O-N 3.32Å; D424-H427 PolarHBondContact O-N 3.15Å; D424-S428 PolarHBondContact O-N 3.03Å; D424-S428 VanDerWaalsContact O-N 3.13Å; D424-Q462 PolarHBondContact OD1-NE2 3.37Å
425L96.7Very high95.9Very high19 Ų1945 Ų4510%0.09923%0.234CC..Hα-helixtrans-64.2-46.2174.6-173.369.2000112.4L286 V289 K290 C293 V311 A315 E421 S422 W423 H427 S428L286-L425 HydrophobicContact CD1-CD2 4.37Å; V289-L425 HydrophobicContact CB-CD2 4.28Å; V289-L425 HydrophobicContact CG2-CD2 3.65Å; K290-L425 HydrophobicContact CG-CD1 4.29Å; K290-L425 HydrophobicContact CG-CD2 4.06Å; C293-L425 HydrophobicContact CB-CD1 3.59Å; C293-L425 VanDerWaalsContact SG-CD1 3.56Å; V311-L425 HydrophobicContact CG1-CD2 4.46Å; A315-L425 HydrophobicContact CB-CD2 4.05Å; E421-L425 WeakPolarHBondContact O-CB 2.88Å; E421-L425 PolarHBondContact O-N 3.3Å; S422-L425 PolarHBondContact O-N 3.47Å; W423-L425 PolarHBondContact O-N 3.47Å; L425-H427 PolarHBondContact O-N 3.24Å; L425-S428 WeakPolarHBondContact O-CB 3.39Å; L425-S428 PolarHBondContact O-N 3.15Å; L425-S428 PolarHBondContact O-OG 2.68Å
426L97.6Very high95.9Very high0 Ų044.2 Ų44.20%023%0.229CC..Hα-helixtrans-63.5-27.6179-73.2163.6000112.7V312 A315 A316 L319 S422 W423 L432 E433 F436V312-L426 HydrophobicContact CB-CD2 4.4Å; V312-L426 HydrophobicContact CG1-CD2 4.31Å; V312-L426 HydrophobicContact CG2-CD2 4.4Å; A315-L426 HydrophobicContact CB-CD1 4.41Å; A315-L426 HydrophobicContact CB-CD2 3.88Å; A315-L426 HydrophobicContact CB-CG 3.94Å; A316-L426 HydrophobicContact CB-CD1 4.47Å; L319-L426 HydrophobicContact CD2-CD1 3.69Å; S422-L426 WeakPolarHBondContact O-CG 3.47Å; S422-L426 PolarHBondContact O-N 2.96Å; S422-L426 VanDerWaalsContact O-N 3.07Å; W423-L426 PolarHBondContact O-N 3.02Å; L426-L432 CarbonylContact O-C 3.56Å; L426-L432 VanDerWaalsContact O-CB 3.29Å; L426-L432 WeakPolarHBondContact O-CB 3.32Å; L426-E433 WeakPolarHBondContact O-CA 3.44Å; L426-E433 PolarHBondContact O-N 2.91Å; L426-E433 VanDerWaalsContact O-N 3.13Å; L426-F436 HydrophobicContact CB-CD1 4.42Å; L426-F436 HydrophobicContact CB-CG 4.41Å; L426-F436 HydrophobicContact CD1-CD1 4.35Å; L426-F436 HydrophobicContact CD1-CD2 3.85Å; L426-F436 HydrophobicContact CD1-CE1 4.31Å; L426-F436 HydrophobicContact CD1-CE2 3.81Å; L426-F436 HydrophobicContact CD1-CG 4.13Å; L426-F436 HydrophobicContact CD1-CZ 4.05Å; L426-F436 HydrophobicContact CD2-CB 4.24Å; L426-F436 HydrophobicContact CD2-CD2 4.17Å; L426-F436 HydrophobicContact CD2-CG 4.24Å
427H96Very high95.9Very high57 Ų5749.4 Ų49.426%0.26425%0.251SS..THydrogen-bonded Turntrans-98.87.7178.4-63.977.4000113.4W423 D424 L425 H429 E433W423-H427 AromaticContact CD1-ND1 3.88Å; W423-H427 AromaticContact CD2-CE1 3.5Å; W423-H427 VanDerWaalsContact CD2-CE1 3.5Å; W423-H427 AromaticContact CD2-ND1 3.74Å; W423-H427 AromaticContact CE2-CE1 3.19Å; W423-H427 AromaticContact CE2-ND1 3.53Å; W423-H427 AromaticContact CE2-NE2 3.79Å; W423-H427 AromaticContact CE3-CE1 3.75Å; W423-H427 AromaticContact CG-ND1 3.98Å; W423-H427 AromaticContact CH2-CE1 3.51Å; W423-H427 AromaticContact CH2-NE2 3.78Å; W423-H427 AromaticContact CZ2-CE1 3.22Å; W423-H427 WeakPolarHBondContact CZ2-CE1 3.18Å; W423-H427 AromaticContact CZ2-ND1 4Å; W423-H427 AromaticContact CZ2-NE2 3.43Å; W423-H427 WeakPolarHBondContact CZ2-NE2 3.33Å; W423-H427 AromaticContact CZ3-CE1 3.75Å; W423-H427 AromaticContact NE1-CE1 3.72Å; W423-H427 AromaticContact NE1-ND1 3.59Å; W423-H427 PolarHBondContact O-N 2.59Å; W423-H427 VanDerWaalsContact O-N 3.13Å; W423-H427 PolarHBondContact O-ND1 2.95Å; D424-H427 PolarHBondContact O-N 3.15Å; L425-H427 PolarHBondContact O-N 3.24Å; H427-H429 VanDerWaalsContact C-N 3.31Å; H427-H429 PolarHBondContact O-N 2.94Å; H427-E433 IonicContact CD2-OE1 2.67Å
428S95Very high96Very high57 Ų5750 Ų5040%0.39926%0.257SS..SBendtrans-74.9-19.4-178.365.60000114.2C293 D424 L425C293-S428 PolarHBondContact SG-OG 3.01Å; D424-S428 PolarHBondContact O-N 3.03Å; D424-S428 VanDerWaalsContact O-N 3.13Å; L425-S428 WeakPolarHBondContact O-CB 3.39Å; L425-S428 PolarHBondContact O-N 3.15Å; L425-S428 PolarHBondContact O-OG 2.68Å
429H92.3Very high96Very high59 Ų5949.9 Ų49.927%0.27326%0.256SS..SBendtrans-143.8137.4179.9-64-54.8000110.6H427 G431 L432 E433H427-H429 VanDerWaalsContact C-N 3.31Å; H427-H429 PolarHBondContact O-N 2.94Å; H429-G431 PolarHBondContact O-N 2.93Å; H429-G431 VanDerWaalsContact O-N 3.09Å; H429-L432 HydrophobicContact CB-CB 4.48Å; H429-L432 HydrophobicContact CB-CD1 4.13Å; H429-L432 HydrophobicContact CB-CG 4.1Å; H429-L432 WeakPolarHBondContact O-CB 3.29Å; H429-L432 PolarHBondContact O-N 3.35Å; H429-E433 PolarHBondContact O-N 2.75Å
430D91.4Very high95.8Very high137 Ų13751.4 Ų51.473%0.73327%0.266SS*.Hα-helixtrans-52.4-37179.9-59.5-12.6000113.4E433 A434D430-E433 PolarHBondContact O-N 3.45Å; D430-A434 VanDerWaalsContact O-CB 3.24Å; D430-A434 WeakPolarHBondContact O-CB 3.45Å; D430-A434 PolarHBondContact O-N 3.02Å
431G91.6Very high95.8Very high37 Ų3751.7 Ų51.738%0.38128%0.283SS..Hα-helixtrans-66.7-37.9178.100000113.3H429 E435H429-G431 PolarHBondContact O-N 2.93Å; H429-G431 VanDerWaalsContact O-N 3.09Å; G431-E435 WeakPolarHBondContact O-CG 3.39Å; G431-E435 PolarHBondContact O-N 3.34Å
432L96.2Very high95.7Very high3 Ų351.1 Ų51.12%0.01629%0.293CS..Hα-helixtrans-70.8-44.2175.9-62.9177.6000110.3L296 V311 V312 L426 H429 A434 E435 F436L296-L432 HydrophobicContact CD1-CD1 3.91Å; L296-L432 HydrophobicContact CD1-CD2 3.84Å; L296-L432 HydrophobicContact CD1-CG 4.15Å; V311-L432 HydrophobicContact CB-CD2 4.04Å; V311-L432 HydrophobicContact CG1-CD1 4.05Å; V311-L432 HydrophobicContact CG1-CD2 3.8Å; V312-L432 HydrophobicContact CG2-CB 4.21Å; V312-L432 HydrophobicContact CG2-CD2 3.63Å; L426-L432 CarbonylContact O-C 3.56Å; L426-L432 VanDerWaalsContact O-CB 3.29Å; L426-L432 WeakPolarHBondContact O-CB 3.32Å; H429-L432 HydrophobicContact CB-CB 4.48Å; H429-L432 HydrophobicContact CB-CD1 4.13Å; H429-L432 HydrophobicContact CB-CG 4.1Å; H429-L432 WeakPolarHBondContact O-CB 3.29Å; H429-L432 PolarHBondContact O-N 3.35Å; L432-A434 VanDerWaalsContact C-N 3.34Å; L432-A434 PolarHBondContact O-N 3.37Å; L432-E435 PolarHBondContact O-N 2.76Å; L432-F436 WeakPolarHBondContact O-CB 3.07Å; L432-F436 PolarHBondContact O-N 3.42Å
433E96.7Very high95.5Very high51 Ų5152 Ų5224%0.23830%0.296CS..Hα-helixtrans-62.4-42.4179.6-171.6-174.6-17900111.1L426 H427 H429 D430 F436 K437L426-E433 WeakPolarHBondContact O-CA 3.44Å; L426-E433 PolarHBondContact O-N 2.91Å; L426-E433 VanDerWaalsContact O-N 3.13Å; H427-E433 IonicContact CD2-OE1 2.67Å; H429-E433 PolarHBondContact O-N 2.75Å; D430-E433 PolarHBondContact O-N 3.45Å; E433-F436 PolarHBondContact O-N 3.5Å; E433-K437 HydrophobicContact CG-CD 4.21Å; E433-K437 WeakPolarHBondContact O-CB 3.46Å; E433-K437 VanDerWaalsContact O-CG 3.3Å; E433-K437 WeakPolarHBondContact O-CG 3.48Å; E433-K437 PolarHBondContact O-N 3.06Å; E433-K437 WeakPolarHBondContact OE1-CE 3.26Å; E433-K437 IonicContact OE1-NZ 2.85Å; E433-K437 PolarHBondContact OE1-NZ 3.38Å; E433-K437 IonicContact OE2-NZ 2.85Å
434A95.9Very high95.2Very high47 Ų4756.6 Ų56.639%0.38832%0.317SS..Hα-helixtrans-62.7-46178.100000112.4D430 L432 K437 K438D430-A434 VanDerWaalsContact O-CB 3.24Å; D430-A434 WeakPolarHBondContact O-CB 3.45Å; D430-A434 PolarHBondContact O-N 3.02Å; L432-A434 VanDerWaalsContact C-N 3.34Å; L432-A434 PolarHBondContact O-N 3.37Å; A434-K437 PolarHBondContact O-N 3.04Å; A434-K438 WeakPolarHBondContact O-CG 3.34Å; A434-K438 PolarHBondContact O-N 2.79Å
435E95.5Very high94.9Very high70 Ų7054 Ų5433%0.32730%0.304SS..Hα-helixtrans-66.8-39.4176.4-69.9-54.1133.500111.9V312 G431 L432 K438 I439V312-E435 HydrophobicContact CB-CB 4.49Å; V312-E435 HydrophobicContact CG1-CB 4.15Å; V312-E435 HydrophobicContact CG2-CB 3.94Å; G431-E435 WeakPolarHBondContact O-CG 3.39Å; G431-E435 PolarHBondContact O-N 3.34Å; L432-E435 PolarHBondContact O-N 2.76Å; E435-K438 WeakPolarHBondContact O-CB 3.35Å; E435-K438 PolarHBondContact O-N 3.41Å; E435-K438 IonicContact OE1-NZ 2.9Å; E435-K438 PolarHBondContact OE1-NZ 3.11Å; E435-K438 IonicContact OE2-NZ 2.65Å; E435-I439 PolarHBondContact O-N 3.2Å
436F97.7Very high94.4Very high1 Ų161 Ų610%0.00434%0.336CS..Hα-helixtrans-62.6-44.5174.9-178-120.2000111.6V312 A316 L319 F320 W423 L426 L432 E433 K438 I439 C440 M445V312-F436 HydrophobicContact CG1-CB 4.3Å; A316-F436 HydrophobicContact CB-CD2 4.14Å; A316-F436 HydrophobicContact CB-CE2 3.97Å; L319-F436 HydrophobicContact CD2-CE1 4.49Å; L319-F436 HydrophobicContact CD2-CE2 4.2Å; L319-F436 HydrophobicContact CD2-CZ 3.7Å; F320-F436 HydrophobicContact CE2-CE2 4.49Å; F320-F436 AromaticContact CZ-CE2 3.94Å; F320-F436 HydrophobicContact CZ-CE2 3.94Å; F320-F436 HydrophobicContact CZ-CZ 4.27Å; W423-F436 HydrophobicContact CE3-CE1 4.23Å; W423-F436 HydrophobicContact CH2-CE1 4.45Å; W423-F436 AromaticContact CZ3-CE1 3.76Å; W423-F436 HydrophobicContact CZ3-CE1 3.76Å; W423-F436 HydrophobicContact CZ3-CZ 4.29Å; L426-F436 HydrophobicContact CB-CD1 4.42Å; L426-F436 HydrophobicContact CB-CG 4.41Å; L426-F436 HydrophobicContact CD1-CD1 4.35Å; L426-F436 HydrophobicContact CD1-CD2 3.85Å; L426-F436 HydrophobicContact CD1-CE1 4.31Å; L426-F436 HydrophobicContact CD1-CE2 3.81Å; L426-F436 HydrophobicContact CD1-CG 4.13Å; L426-F436 HydrophobicContact CD1-CZ 4.05Å; L426-F436 HydrophobicContact CD2-CB 4.24Å; L426-F436 HydrophobicContact CD2-CD2 4.17Å; L426-F436 HydrophobicContact CD2-CG 4.24Å; L432-F436 WeakPolarHBondContact O-CB 3.07Å; L432-F436 PolarHBondContact O-N 3.42Å; E433-F436 PolarHBondContact O-N 3.5Å; F436-K438 PolarHBondContact O-N 3.38Å; F436-I439 WeakPolarHBondContact O-CA 3.07Å; F436-I439 WeakPolarHBondContact O-CB 3.12Å; F436-I439 PolarHBondContact O-N 3.21Å; F436-C440 PolarHBondContact O-N 2.96Å; F436-C440 PolarHBondContact O-SG 3.03Å; F436-M445 HydrophobicContact CE2-CE 4.33Å; F436-M445 HydrophobicContact CZ-CE 4.09Å
437K96.8Very high93.9Very high110 Ų11065.1 Ų65.148%0.47836%0.364SS..Hα-helixtrans-57.9-33.8174.6-78.3173.6-179165.40112.8E433 A434 C440 A441E433-K437 HydrophobicContact CG-CD 4.21Å; E433-K437 WeakPolarHBondContact O-CB 3.46Å; E433-K437 VanDerWaalsContact O-CG 3.3Å; E433-K437 WeakPolarHBondContact O-CG 3.48Å; E433-K437 PolarHBondContact O-N 3.06Å; E433-K437 WeakPolarHBondContact OE1-CE 3.26Å; E433-K437 IonicContact OE1-NZ 2.85Å; E433-K437 PolarHBondContact OE1-NZ 3.38Å; E433-K437 IonicContact OE2-NZ 2.85Å; A434-K437 PolarHBondContact O-N 3.04Å; K437-C440 WeakPolarHBondContact O-CB 3.4Å; K437-C440 PolarHBondContact O-N 3.31Å; K437-A441 WeakPolarHBondContact O-CB 3.28Å; K437-A441 PolarHBondContact O-N 3.35Å
438K96.6Very high93.6Very high123 Ų12364 Ų6454%0.53536%0.358SS..Hα-helixtrans-63.8-41.6173.2-67.8172.2-172.6173.90111.6A434 E435 F436 A441 A442A434-K438 WeakPolarHBondContact O-CG 3.34Å; A434-K438 PolarHBondContact O-N 2.79Å; E435-K438 WeakPolarHBondContact O-CB 3.35Å; E435-K438 PolarHBondContact O-N 3.41Å; E435-K438 IonicContact OE1-NZ 2.9Å; E435-K438 PolarHBondContact OE1-NZ 3.11Å; E435-K438 IonicContact OE2-NZ 2.65Å; F436-K438 PolarHBondContact O-N 3.38Å; K438-A441 PolarHBondContact O-N 2.91Å; K438-A442 VanDerWaalsContact O-CB 3.28Å; K438-A442 WeakPolarHBondContact O-CB 3.25Å; K438-A442 PolarHBondContact O-N 3.24Å
439I96.5Very high93.4Very high12 Ų1263.3 Ų63.36%0.06235%0.349CS..Hα-helixtrans-62.7-46.9173.4-60.3172.4000109.7L200 V312 E435 F436 A441 A442 W443L200-I439 HydrophobicContact CD1-CG1 4.48Å; L200-I439 HydrophobicContact CD2-CD1 3.81Å; L200-I439 HydrophobicContact CD2-CG1 4.17Å; V312-I439 HydrophobicContact CG1-CD1 3.68Å; E435-I439 PolarHBondContact O-N 3.2Å; F436-I439 WeakPolarHBondContact O-CA 3.07Å; F436-I439 WeakPolarHBondContact O-CB 3.12Å; F436-I439 PolarHBondContact O-N 3.21Å; I439-A441 VanDerWaalsContact C-N 3.33Å; I439-A441 PolarHBondContact O-N 3.29Å; I439-A442 PolarHBondContact O-N 3.47Å; I439-W443 HydrophobicContact CG2-CD2 3.71Å; I439-W443 HydrophobicContact CG2-CE3 3.87Å; I439-W443 HydrophobicContact CG2-CG 4.34Å; I439-W443 HydrophobicContact CG2-CH2 4.05Å; I439-W443 HydrophobicContact CG2-CZ2 3.87Å; I439-W443 HydrophobicContact CG2-CZ3 4.06Å; I439-W443 PolarHBondContact O-N 3.3Å
440C95.7Very high93.4Very high32 Ų3261.1 Ų61.122%0.21634%0.339CS..Hα-helixtrans-54.6-47.2177.7-540000113F436 K437 K444 M445F436-C440 PolarHBondContact O-N 2.96Å; F436-C440 PolarHBondContact O-SG 3.03Å; K437-C440 WeakPolarHBondContact O-CB 3.4Å; K437-C440 PolarHBondContact O-N 3.31Å; C440-K444 PolarHBondContact O-N 2.93Å; C440-M445 HydrophobicContact CB-CE 3.44Å; C440-M445 VanDerWaalsContact CB-CE 3.44Å; C440-M445 PolarHBondContact O-N 3.44Å; C440-M445 WeakPolarHBondContact SG-CE 3.45Å
441A95.6Very high93.6Very high75 Ų7555 Ų5562%0.6231%0.306SS*.Hα-helixtrans-68.2-44.7-18000000111.5K437 K438 I439 W443 K444K437-A441 WeakPolarHBondContact O-CB 3.28Å; K437-A441 PolarHBondContact O-N 3.35Å; K438-A441 PolarHBondContact O-N 2.91Å; I439-A441 VanDerWaalsContact C-N 3.33Å; I439-A441 PolarHBondContact O-N 3.29Å; A441-W443 VanDerWaalsContact C-N 3.29Å; A441-W443 PolarHBondContact O-N 3.49Å; A441-K444 PolarHBondContact O-N 2.88Å
442A94.1Very high93.7Very high72 Ų7255.5 Ų55.560%0.59530%0.296SS*.Hα-helixtrans-61-38.3179.700000112.5K438 I439K438-A442 VanDerWaalsContact O-CB 3.28Å; K438-A442 WeakPolarHBondContact O-CB 3.25Å; K438-A442 PolarHBondContact O-N 3.24Å; I439-A442 PolarHBondContact O-N 3.47Å
443W94.3Very high93.5Very high19 Ų1955.7 Ų55.77%0.07230%0.297CS..THydrogen-bonded Turntrans-90.62.1-179.1-62.8-3.5000113.8L200 A203 E204 I207 F320 I439 A441 M445 W448L200-W443 HydrophobicContact CB-CZ2 4.32Å; L200-W443 HydrophobicContact CD2-CZ2 4.01Å; L200-W443 VanDerWaalsContact O-CZ2 3.27Å; L200-W443 WeakPolarHBondContact O-CZ2 3.29Å; A203-W443 HydrophobicContact CB-CH2 3.64Å; A203-W443 HydrophobicContact CB-CZ2 3.99Å; E204-W443 HydrophobicContact CB-CD2 4.19Å; E204-W443 HydrophobicContact CB-CG 4.49Å; E204-W443 HydrophobicContact CB-CZ2 3.98Å; E204-W443 HydrophobicContact CG-CD2 4.18Å; E204-W443 HydrophobicContact CG-CG 4.04Å; E204-W443 VanDerWaalsContact OE1-CD1 3.31Å; I207-W443 HydrophobicContact CD1-CH2 4.18Å; I207-W443 HydrophobicContact CD1-CZ3 3.9Å; F320-W443 AromaticContact CD2-CZ3 3.97Å; F320-W443 HydrophobicContact CD2-CZ3 3.97Å; F320-W443 HydrophobicContact CE2-CE3 4.23Å; F320-W443 HydrophobicContact CE2-CH2 4.25Å; F320-W443 AromaticContact CE2-CZ3 3.48Å; F320-W443 HydrophobicContact CE2-CZ3 3.48Å; F320-W443 VanDerWaalsContact CE2-CZ3 3.48Å; F320-W443 HydrophobicContact CZ-CE3 4.46Å; F320-W443 HydrophobicContact CZ-CZ3 4.13Å; I439-W443 HydrophobicContact CG2-CD2 3.71Å; I439-W443 HydrophobicContact CG2-CE3 3.87Å; I439-W443 HydrophobicContact CG2-CG 4.34Å; I439-W443 HydrophobicContact CG2-CH2 4.05Å; I439-W443 HydrophobicContact CG2-CZ2 3.87Å; I439-W443 HydrophobicContact CG2-CZ3 4.06Å; I439-W443 PolarHBondContact O-N 3.3Å; A441-W443 VanDerWaalsContact C-N 3.29Å; A441-W443 PolarHBondContact O-N 3.49Å; W443-M445 HydrophobicContact CB-CG 3.78Å; W443-M445 HydrophobicContact CE3-SD 4.04Å; W443-M445 PolarHBondContact O-N 3.4Å; W443-W448 HydrophobicContact CB-CZ2 4.21Å; W443-W448 HydrophobicContact CD2-CH2 4.43Å; W443-W448 AromaticContact CE3-CH2 3.52Å; W443-W448 HydrophobicContact CE3-CH2 3.52Å; W443-W448 HydrophobicContact CE3-CZ2 4.26Å; W443-W448 HydrophobicContact CE3-CZ3 4.25Å; W443-W448 HydrophobicContact CZ3-CH2 4.08Å
444K92.1Very high93.5Very high146 Ų14653.2 Ų53.264%0.63529%0.285SS*.THydrogen-bonded Turntrans50.442.8-176.6-55.3177.3-176.6173.50112.5C440 A441 E446 S447C440-K444 PolarHBondContact O-N 2.93Å; A441-K444 PolarHBondContact O-N 2.88Å; K444-E446 PolarHBondContact O-N 3.13Å; K444-S447 WeakPolarHBondContact O-CB 3.28Å; K444-S447 PolarHBondContact O-N 3.1Å; K444-S447 PolarHBondContact O-OG 3.07Å
445M89.6Confident93.5Very high8 Ų852.5 Ų52.54%0.03928%0.275CS..G310 helixtrans-63.6-16.2-170.9-64.6-154.9-63.900114.5F320 F436 C440 W443 S447 W448F320-M445 HydrophobicContact CE1-CE 3.95Å; F320-M445 HydrophobicContact CE1-SD 3.44Å; F320-M445 WeakPolarHBondContact CE1-SD 3.47Å; F320-M445 HydrophobicContact CE2-SD 4.36Å; F320-M445 HydrophobicContact CZ-CE 3.62Å; F320-M445 HydrophobicContact CZ-SD 3.3Å; F320-M445 WeakPolarHBondContact CZ-SD 3.5Å; F436-M445 HydrophobicContact CE2-CE 4.33Å; F436-M445 HydrophobicContact CZ-CE 4.09Å; C440-M445 HydrophobicContact CB-CE 3.44Å; C440-M445 VanDerWaalsContact CB-CE 3.44Å; C440-M445 PolarHBondContact O-N 3.44Å; C440-M445 WeakPolarHBondContact SG-CE 3.45Å; W443-M445 HydrophobicContact CB-CG 3.78Å; W443-M445 HydrophobicContact CE3-SD 4.04Å; W443-M445 PolarHBondContact O-N 3.4Å; M445-S447 PolarHBondContact O-N 3.17Å; M445-S447 VanDerWaalsContact O-N 3.15Å; M445-W448 HydrophobicContact CB-CD2 4.28Å; M445-W448 HydrophobicContact CB-CE3 4.31Å; M445-W448 HydrophobicContact CG-CD2 4.1Å; M445-W448 HydrophobicContact CG-CE3 3.95Å; M445-W448 HydrophobicContact CG-CH2 4.14Å; M445-W448 HydrophobicContact CG-CZ2 4.25Å; M445-W448 HydrophobicContact CG-CZ3 3.97Å; M445-W448 WeakPolarHBondContact O-CB 3.34Å; M445-W448 PolarHBondContact O-N 3.3Å; M445-W448 HydrophobicContact SD-CE3 3.86Å; M445-W448 HydrophobicContact SD-CH2 4.05Å; M445-W448 HydrophobicContact SD-CZ3 3.54Å; M445-W448 VanDerWaalsContact SD-CZ3 3.54Å
446E85.4Confident93.5Very high165 Ų16549.2 Ų49.277%0.77126%0.259SS*.G310 helixtrans-57.1-23.7170.863.3-171.5-178.900113.3K444 W448 R452K444-E446 PolarHBondContact O-N 3.13Å; E446-W448 VanDerWaalsContact C-N 3.35Å; E446-R452 WeakPolarHBondContact O-CD 3.17Å
447S86.6Confident93.4Very high86 Ų8649.1 Ų49.160%0.60126%0.259SS*.G310 helixtrans-79.6-13.1174.2660000113.9K444 M445 L449K444-S447 WeakPolarHBondContact O-CB 3.28Å; K444-S447 PolarHBondContact O-N 3.1Å; K444-S447 PolarHBondContact O-OG 3.07Å; M445-S447 PolarHBondContact O-N 3.17Å; M445-S447 VanDerWaalsContact O-N 3.15Å; S447-L449 PolarHBondContact O-N 3.42Å; S447-L449 VanDerWaalsContact O-N 3.1Å
448W91Very high93.4Very high35 Ų3544 Ų4413%0.13324%0.237CC..  trans-82.792.6-174.4-64.74000111.3I207 F320 W443 M445 E446 W450 F451 R452I207-W448 HydrophobicContact CG2-CH2 3.93Å; I207-W448 HydrophobicContact CG2-CZ3 3.98Å; F320-W448 HydrophobicContact CD1-CZ3 4.27Å; F320-W448 HydrophobicContact CE1-CZ3 4.16Å; W443-W448 HydrophobicContact CB-CZ2 4.21Å; W443-W448 HydrophobicContact CD2-CH2 4.43Å; W443-W448 AromaticContact CE3-CH2 3.52Å; W443-W448 HydrophobicContact CE3-CH2 3.52Å; W443-W448 HydrophobicContact CE3-CZ2 4.26Å; W443-W448 HydrophobicContact CE3-CZ3 4.25Å; W443-W448 HydrophobicContact CZ3-CH2 4.08Å; M445-W448 HydrophobicContact CB-CD2 4.28Å; M445-W448 HydrophobicContact CB-CE3 4.31Å; M445-W448 HydrophobicContact CG-CD2 4.1Å; M445-W448 HydrophobicContact CG-CE3 3.95Å; M445-W448 HydrophobicContact CG-CH2 4.14Å; M445-W448 HydrophobicContact CG-CZ2 4.25Å; M445-W448 HydrophobicContact CG-CZ3 3.97Å; M445-W448 WeakPolarHBondContact O-CB 3.34Å; M445-W448 PolarHBondContact O-N 3.3Å; M445-W448 HydrophobicContact SD-CE3 3.86Å; M445-W448 HydrophobicContact SD-CH2 4.05Å; M445-W448 HydrophobicContact SD-CZ3 3.54Å; M445-W448 VanDerWaalsContact SD-CZ3 3.54Å; E446-W448 VanDerWaalsContact C-N 3.35Å; W448-W450 VanDerWaalsContact C-N 3.31Å; W448-W450 HydrophobicContact CD2-CZ2 4.33Å; W448-W450 AromaticContact CE3-CE2 3.92Å; W448-W450 HydrophobicContact CE3-CH2 4.38Å; W448-W450 AromaticContact CE3-CZ2 3.44Å; W448-W450 HydrophobicContact CE3-CZ2 3.44Å; W448-W450 VanDerWaalsContact CE3-CZ2 3.44Å; W448-W450 AromaticContact CZ3-CZ2 3.75Å; W448-W450 HydrophobicContact CZ3-CZ2 3.75Å; W448-W450 PolarHBondContact O-N 3.13Å; W448-F451 HydrophobicContact CB-CB 4.03Å; W448-F451 HydrophobicContact CE3-CB 4.44Å; W448-F451 PolarHBondContact O-N 3.17Å; W448-F451 VanDerWaalsContact O-N 3.15Å; W448-R452 WeakPolarHBondContact O-CG 3.29Å; W448-R452 PolarHBondContact O-N 3.46Å
449L90.1Very high93.3Very high42 Ų4239.6 Ų39.622%0.2222%0.219CC..Hα-helixtrans-54.2-45179.8178.459.7000112.8L334 S447 F451 R452 I453 M475L334-L449 HydrophobicContact CD2-CD2 3.78Å; L334-L449 HydrophobicContact CD2-CG 4.45Å; S447-L449 PolarHBondContact O-N 3.42Å; S447-L449 VanDerWaalsContact O-N 3.1Å; L449-F451 VanDerWaalsContact C-N 3.28Å; L449-F451 PolarHBondContact O-N 3.34Å; L449-R452 PolarHBondContact O-N 3.25Å; L449-I453 HydrophobicContact CD1-CD1 4.33Å; L449-I453 HydrophobicContact CD1-CG1 4.42Å; L449-I453 HydrophobicContact CG-CD1 4.14Å; L449-I453 WeakPolarHBondContact O-CG1 3.3Å; L449-I453 PolarHBondContact O-N 3.38Å; L449-M475 HydrophobicContact CD1-CG 3.97Å; L449-M475 HydrophobicContact CD1-SD 4.03Å
450W92.9Very high93.2Very high13 Ų1339.1 Ų39.15%0.04922%0.217CC..Hα-helixtrans-58.6-41-18069.3-94.7000112.1I207 T211 F320 A323 F324 V327 L334 F335 W448 I453 F454I207-W450 HydrophobicContact CG2-CZ2 4.06Å; T211-W450 HydrophobicContact CG2-CD2 4.17Å; T211-W450 HydrophobicContact CG2-CZ2 3.85Å; F320-W450 HydrophobicContact CB-CH2 4.33Å; F320-W450 HydrophobicContact CD1-CH2 4.02Å; A323-W450 HydrophobicContact CB-CZ3 3.89Å; F324-W450 HydrophobicContact CB-CZ3 4.34Å; V327-W450 HydrophobicContact CG1-CB 4.01Å; V327-W450 WeakPolarHBondContact CG2-O 2.96Å; L334-W450 HydrophobicContact CD1-CB 4.07Å; F335-W450 HydrophobicContact CE1-CB 3.87Å; F335-W450 AromaticContact CE1-CG 3.96Å; F335-W450 HydrophobicContact CE1-CG 3.96Å; F335-W450 HydrophobicContact CZ-CB 3.56Å; F335-W450 HydrophobicContact CZ-CD2 4.45Å; F335-W450 AromaticContact CZ-CG 3.99Å; F335-W450 HydrophobicContact CZ-CG 3.99Å; W448-W450 VanDerWaalsContact C-N 3.31Å; W448-W450 HydrophobicContact CD2-CZ2 4.33Å; W448-W450 AromaticContact CE3-CE2 3.92Å; W448-W450 HydrophobicContact CE3-CH2 4.38Å; W448-W450 AromaticContact CE3-CZ2 3.44Å; W448-W450 HydrophobicContact CE3-CZ2 3.44Å; W448-W450 VanDerWaalsContact CE3-CZ2 3.44Å; W448-W450 AromaticContact CZ3-CZ2 3.75Å; W448-W450 HydrophobicContact CZ3-CZ2 3.75Å; W448-W450 PolarHBondContact O-N 3.13Å; W450-I453 PolarHBondContact O-N 2.78Å; W450-F454 PolarHBondContact O-N 3.16Å
451F95.1Very high93.1Very high9 Ų938.6 Ų38.64%0.03921%0.211CC..Hα-helixtrans-73.3-37.7-179.9-170.7-118.2000110.9L319 F320 A323 W423 W448 L449 I453 F454 L455L319-F451 HydrophobicContact CD1-CE2 4.2Å; L319-F451 HydrophobicContact CD2-CE2 4.32Å; L319-F451 HydrophobicContact CD2-CZ 4.05Å; L319-F451 HydrophobicContact CG-CE2 4.15Å; L319-F451 HydrophobicContact CG-CZ 4.39Å; F320-F451 HydrophobicContact CD1-CD2 4.26Å; F320-F451 HydrophobicContact CD1-CE2 4.07Å; F320-F451 HydrophobicContact CD1-CZ 4.5Å; F320-F451 HydrophobicContact CE1-CD2 4.4Å; F320-F451 HydrophobicContact CE1-CE1 4.34Å; F320-F451 HydrophobicContact CE1-CE2 4.04Å; F320-F451 HydrophobicContact CE1-CZ 4.02Å; A323-F451 HydrophobicContact CB-CD2 4.26Å; A323-F451 HydrophobicContact CB-CE2 4.32Å; W423-F451 HydrophobicContact CE3-CZ 4.2Å; W423-F451 HydrophobicContact CZ3-CE1 4.2Å; W423-F451 AromaticContact CZ3-CZ 3.92Å; W423-F451 HydrophobicContact CZ3-CZ 3.92Å; W448-F451 HydrophobicContact CB-CB 4.03Å; W448-F451 HydrophobicContact CE3-CB 4.44Å; W448-F451 PolarHBondContact O-N 3.17Å; W448-F451 VanDerWaalsContact O-N 3.15Å; L449-F451 VanDerWaalsContact C-N 3.28Å; L449-F451 PolarHBondContact O-N 3.34Å; F451-I453 VanDerWaalsContact C-N 3.31Å; F451-I453 PolarHBondContact O-N 3.47Å; F451-F454 HydrophobicContact CD2-CD1 4.18Å; F451-F454 AromaticContact CE2-CD1 3.87Å; F451-F454 HydrophobicContact CE2-CD1 3.87Å; F451-F454 HydrophobicContact CE2-CE1 4.35Å; F451-F454 WeakPolarHBondContact O-CB 3.29Å; F451-F454 PolarHBondContact O-N 3.45Å; F451-L455 HydrophobicContact CD1-CD1 3.94Å; F451-L455 HydrophobicContact CD1-CG 4.28Å; F451-L455 HydrophobicContact CE1-CD1 3.72Å; F451-L455 HydrophobicContact CE1-CD2 4.17Å; F451-L455 HydrophobicContact CE1-CG 4.04Å; F451-L455 HydrophobicContact CZ-CD1 4.38Å; F451-L455 HydrophobicContact CZ-CD2 3.98Å; F451-L455 HydrophobicContact CZ-CG 4.24Å; F451-L455 WeakPolarHBondContact O-CG 3.3Å; F451-L455 PolarHBondContact O-N 2.85Å
452R92.8Very high92.9Very high46 Ų4637.5 Ų37.517%0.17419%0.193CC..Hα-helixtrans-59.8-39.2172.7-68.5178.463.3-178.70.9112.3E446 W448 L449 L455 S456 Q474 M475E446-R452 WeakPolarHBondContact O-CD 3.17Å; W448-R452 WeakPolarHBondContact O-CG 3.29Å; W448-R452 PolarHBondContact O-N 3.46Å; L449-R452 PolarHBondContact O-N 3.25Å; R452-L455 PolarHBondContact O-N 3Å; R452-S456 PolarHBondContact O-N 3.46Å; R452-S456 PolarHBondContact O-OG 2.88Å; R452-S456 VanDerWaalsContact O-OG 3.1Å; R452-Q474 PolarHBondContact NH2-O 3.06Å; R452-Q474 VanDerWaalsContact NH2-O 3.11Å; R452-M475 HydrophobicContact CB-CE 3.63Å; R452-M475 VanDerWaalsContact NH2-CA 3.27Å; R452-M475 VanDerWaalsContact NH2-N 3.14Å
453I93.3Very high92.8Very high7 Ų735 Ų354%0.03617%0.174CC..Hα-helixtrans-60.3-47.5174.4-71.2164.6000110.8Q331 L334 L449 W450 F451 L455 S456 D457 M475Q331-I453 HydrophobicContact CG-CD1 4.37Å; L334-I453 HydrophobicContact CD1-CD1 3.53Å; L449-I453 HydrophobicContact CD1-CD1 4.33Å; L449-I453 HydrophobicContact CD1-CG1 4.42Å; L449-I453 HydrophobicContact CG-CD1 4.14Å; L449-I453 WeakPolarHBondContact O-CG1 3.3Å; L449-I453 PolarHBondContact O-N 3.38Å; W450-I453 PolarHBondContact O-N 2.78Å; F451-I453 VanDerWaalsContact C-N 3.31Å; F451-I453 PolarHBondContact O-N 3.47Å; I453-L455 VanDerWaalsContact C-N 3.34Å; I453-L455 PolarHBondContact O-N 3.22Å; I453-S456 PolarHBondContact O-N 3.04Å; I453-D457 PolarHBondContact O-N 2.83Å; I453-M475 HydrophobicContact CG1-CE 4.11Å; I453-M475 HydrophobicContact CG1-SD 4.11Å
454F96.4Very high92.7Very high0 Ų038.4 Ų38.40%019%0.191CC..Hα-helixtrans-57.3-46.7174.9166.4-101.9000111.8L319 A323 Y326 V327 F416 A419 W450 F451 S456 D457 M458L319-F454 HydrophobicContact CD1-CE1 3.82Å; L319-F454 HydrophobicContact CD1-CZ 4.3Å; A323-F454 HydrophobicContact CB-CB 4.23Å; A323-F454 HydrophobicContact CB-CD1 3.84Å; A323-F454 HydrophobicContact CB-CD2 4.07Å; A323-F454 HydrophobicContact CB-CE1 4.27Å; A323-F454 HydrophobicContact CB-CE2 4.48Å; A323-F454 HydrophobicContact CB-CG 3.74Å; Y326-F454 AromaticContact CD1-CD2 3.9Å; Y326-F454 HydrophobicContact CD1-CD2 3.9Å; Y326-F454 HydrophobicContact CE1-CD2 4.39Å; V327-F454 HydrophobicContact CG2-CB 3.75Å; F416-F454 HydrophobicContact CD2-CD2 4.33Å; F416-F454 HydrophobicContact CD2-CE2 4.02Å; F416-F454 HydrophobicContact CE2-CD2 4.49Å; F416-F454 HydrophobicContact CE2-CE2 4.18Å; A419-F454 HydrophobicContact CB-CD2 4.33Å; A419-F454 HydrophobicContact CB-CE1 4.18Å; A419-F454 HydrophobicContact CB-CE2 3.41Å; A419-F454 VanDerWaalsContact CB-CE2 3.41Å; A419-F454 HydrophobicContact CB-CZ 3.32Å; W450-F454 PolarHBondContact O-N 3.16Å; F451-F454 HydrophobicContact CD2-CD1 4.18Å; F451-F454 AromaticContact CE2-CD1 3.87Å; F451-F454 HydrophobicContact CE2-CD1 3.87Å; F451-F454 HydrophobicContact CE2-CE1 4.35Å; F451-F454 WeakPolarHBondContact O-CB 3.29Å; F451-F454 PolarHBondContact O-N 3.45Å; F454-S456 PolarHBondContact O-N 2.95Å; F454-D457 PolarHBondContact O-N 3.15Å; F454-M458 HydrophobicContact CE1-SD 4.11Å; F454-M458 HydrophobicContact CZ-CB 4.35Å; F454-M458 HydrophobicContact CZ-SD 4.04Å; F454-M458 WeakPolarHBondContact O-CB 3.27Å; F454-M458 PolarHBondContact O-N 3.26Å
455L95.8Very high92.8Very high32 Ų3232.4 Ų32.417%0.16816%0.164CC..Hα-helixtrans-61.8-43.3179-67.2178.4000112W423 F451 R452 I453 M458 I459W423-L455 HydrophobicContact CD2-CD2 4.11Å; W423-L455 HydrophobicContact CE3-CD2 3.68Å; W423-L455 HydrophobicContact CH2-CD1 4.34Å; W423-L455 HydrophobicContact CH2-CD2 3.66Å; W423-L455 HydrophobicContact CZ2-CD2 4.08Å; W423-L455 HydrophobicContact CZ3-CD1 4.45Å; W423-L455 HydrophobicContact CZ3-CD2 3.45Å; W423-L455 VanDerWaalsContact CZ3-CD2 3.45Å; F451-L455 HydrophobicContact CD1-CD1 3.94Å; F451-L455 HydrophobicContact CD1-CG 4.28Å; F451-L455 HydrophobicContact CE1-CD1 3.72Å; F451-L455 HydrophobicContact CE1-CD2 4.17Å; F451-L455 HydrophobicContact CE1-CG 4.04Å; F451-L455 HydrophobicContact CZ-CD1 4.38Å; F451-L455 HydrophobicContact CZ-CD2 3.98Å; F451-L455 HydrophobicContact CZ-CG 4.24Å; F451-L455 WeakPolarHBondContact O-CG 3.3Å; F451-L455 PolarHBondContact O-N 2.85Å; R452-L455 PolarHBondContact O-N 3Å; I453-L455 VanDerWaalsContact C-N 3.34Å; I453-L455 PolarHBondContact O-N 3.22Å; L455-M458 HydrophobicContact CD2-CE 3.88Å; L455-M458 PolarHBondContact O-N 3.35Å; L455-I459 WeakPolarHBondContact O-CB 3.37Å; L455-I459 WeakPolarHBondContact O-CD1 3.49Å; L455-I459 WeakPolarHBondContact O-CG1 3.3Å; L455-I459 PolarHBondContact O-N 3.49Å
456S94.8Very high93.1Very high0 Ų039.7 Ų39.70%019%0.191CC..Hα-helixtrans-60.8-47.7176.3-60.20000111.5R452 I453 F454 M458 I459 I460 S471R452-S456 PolarHBondContact O-N 3.46Å; R452-S456 PolarHBondContact O-OG 2.88Å; R452-S456 VanDerWaalsContact O-OG 3.1Å; I453-S456 PolarHBondContact O-N 3.04Å; F454-S456 PolarHBondContact O-N 2.95Å; S456-M458 VanDerWaalsContact C-N 3.33Å; S456-M458 PolarHBondContact O-N 3.36Å; S456-I459 PolarHBondContact O-N 3.04Å; S456-I460 VanDerWaalsContact O-CG1 3.26Å; S456-I460 WeakPolarHBondContact O-CG1 3.43Å; S456-I460 PolarHBondContact O-N 3.13Å; S456-S471 PolarHBondContact OG-OG 3.48Å
457D95.8Very high93.5Very high0 Ų037.8 Ų37.80%018%0.18CC..Hα-helixtrans-62.4-39177.6-74.5-0.7000111.7Y326 L348 F416 I453 F454 I460 H461 R498 Q502Y326-D457 HydrophobicContact CE1-CB 4.25Å; Y326-D457 WeakPolarHBondContact CE1-OD2 3.14Å; Y326-D457 PolarHBondContact OH-OD2 3.02Å; L348-D457 HydrophobicContact CD2-CB 3.91Å; L348-D457 VanDerWaalsContact CD2-O 3.25Å; L348-D457 WeakPolarHBondContact CD2-O 3.32Å; F416-D457 HydrophobicContact CE2-CB 4.33Å; I453-D457 PolarHBondContact O-N 2.83Å; F454-D457 PolarHBondContact O-N 3.15Å; D457-I460 PolarHBondContact O-N 3.27Å; D457-H461 WeakPolarHBondContact O-CB 3.28Å; D457-H461 PolarHBondContact O-N 3.14Å; D457-R498 IonicContact OD1-NH2 3.9Å; D457-R498 PolarHBondContact OD1-NH2 3.17Å; D457-R498 VanDerWaalsContact OD1-NH2 3.08Å; D457-R498 IonicContact OD2-NH2 3.53Å; D457-R498 PolarHBondContact OD2-NH2 3.23Å; D457-R498 VanDerWaalsContact OD2-NH2 3.12Å; D457-Q502 PolarHBondContact OD1-NE2 3.06Å
458M96.1Very high93.9Very high2 Ų233.7 Ų33.71%0.0115%0.152CC..Hα-helixtrans-64.1-44.5175.6-178.7-170.572.700112.3R420 W423 F454 L455 S456 I460 H461 Q462R420-M458 HydrophobicContact CB-CG 4.45Å; R420-M458 HydrophobicContact CG-CG 4.17Å; R420-M458 HydrophobicContact CG-SD 4.34Å; W423-M458 HydrophobicContact CB-SD 3.91Å; W423-M458 VanDerWaalsContact CD1-CE 3.48Å; W423-M458 HydrophobicContact CD2-CE 3.84Å; W423-M458 HydrophobicContact CD2-SD 4.27Å; W423-M458 HydrophobicContact CG-CE 3.74Å; W423-M458 HydrophobicContact CG-SD 3.65Å; W423-M458 HydrophobicContact CZ2-CE 4.35Å; F454-M458 HydrophobicContact CE1-SD 4.11Å; F454-M458 HydrophobicContact CZ-CB 4.35Å; F454-M458 HydrophobicContact CZ-SD 4.04Å; F454-M458 WeakPolarHBondContact O-CB 3.27Å; F454-M458 PolarHBondContact O-N 3.26Å; L455-M458 HydrophobicContact CD2-CE 3.88Å; L455-M458 PolarHBondContact O-N 3.35Å; S456-M458 VanDerWaalsContact C-N 3.33Å; S456-M458 PolarHBondContact O-N 3.36Å; M458-I460 VanDerWaalsContact C-N 3.33Å; M458-I460 PolarHBondContact O-N 2.97Å; M458-H461 WeakPolarHBondContact O-CB 3.46Å; M458-H461 PolarHBondContact O-N 2.75Å; M458-Q462 WeakPolarHBondContact O-CG 3.47Å; M458-Q462 PolarHBondContact O-N 2.97Å
459I94.9Very high94.1Very high31 Ų3133.2 Ų33.216%0.15915%0.153CC..Hα-helixtrans-64.6-39178.3-67.5166.8000110.6L455 S456 Q462 G463 H464 K467 A468L455-I459 WeakPolarHBondContact O-CB 3.37Å; L455-I459 WeakPolarHBondContact O-CD1 3.49Å; L455-I459 WeakPolarHBondContact O-CG1 3.3Å; L455-I459 PolarHBondContact O-N 3.49Å; S456-I459 PolarHBondContact O-N 3.04Å; I459-Q462 PolarHBondContact O-N 3.3Å; I459-G463 PolarHBondContact O-N 3.43Å; I459-G463 VanDerWaalsContact O-N 3.13Å; I459-H464 HydrophobicContact CG2-CB 3.75Å; I459-H464 VanDerWaalsContact CG2-O 3.27Å; I459-H464 WeakPolarHBondContact CG2-O 3.04Å; I459-H464 PolarHBondContact O-N 2.95Å; I459-H464 VanDerWaalsContact O-N 3.08Å; I459-K467 HydrophobicContact CG2-CB 3.87Å; I459-A468 HydrophobicContact CB-CB 4.45Å; I459-A468 HydrophobicContact CG2-CB 3.79Å
460I94.8Very high94.2Very high2 Ų234.7 Ų34.71%0.0117%0.166CC..Hα-helixtrans-62-45.6172.2-66.9166.6000110.2L348 R397 S456 D457 M458 Q462 G463 A468 L472 Q502 L554L348-I460 HydrophobicContact CD2-CB 4.3Å; L348-I460 HydrophobicContact CD2-CG2 4.13Å; L348-I460 HydrophobicContact CG-CG2 4.37Å; R397-I460 PolarHBondContact NH1-O 3.17Å; S456-I460 VanDerWaalsContact O-CG1 3.26Å; S456-I460 WeakPolarHBondContact O-CG1 3.43Å; S456-I460 PolarHBondContact O-N 3.13Å; D457-I460 PolarHBondContact O-N 3.27Å; M458-I460 VanDerWaalsContact C-N 3.33Å; M458-I460 PolarHBondContact O-N 2.97Å; I460-Q462 VanDerWaalsContact C-N 3.29Å; I460-Q462 PolarHBondContact O-N 3.49Å; I460-G463 PolarHBondContact O-N 3.05Å; I460-A468 HydrophobicContact CG1-CB 3.74Å; I460-L472 HydrophobicContact CD1-CD1 4.5Å; I460-Q502 HydrophobicContact CD1-CB 4.24Å; I460-L554 HydrophobicContact CG2-CD1 4.03Å; I460-L554 HydrophobicContact CG2-CD2 4.24Å
461H94.1Very high94.1Very high20 Ų2035.2 Ų35.29%0.09317%0.172CC..Hα-helixtrans-61.7-34176.7-175.8-99.9000113.5R397 F416 R420 D457 M458 G463 L554R397-H461 WeakPolarHBondContact CD-O 3.47Å; R397-H461 PolarHBondContact O-NE2 2.64Å; F416-H461 HydrophobicContact CE1-CB 4.06Å; F416-H461 AromaticContact CE1-CG 3.7Å; F416-H461 AromaticContact CE1-ND1 3.81Å; F416-H461 HydrophobicContact CZ-CB 3.71Å; F416-H461 AromaticContact CZ-CG 3.9Å; R420-H461 PolarHBondContact NH1-CE1 3Å; R420-H461 PolarHBondContact NH1-ND1 3.13Å; D457-H461 WeakPolarHBondContact O-CB 3.28Å; D457-H461 PolarHBondContact O-N 3.14Å; M458-H461 WeakPolarHBondContact O-CB 3.46Å; M458-H461 PolarHBondContact O-N 2.75Å; H461-G463 VanDerWaalsContact C-N 3.29Å; H461-L554 HydrophobicContact CB-CD1 4.19Å
462Q92Very high93.9Very high52 Ų5234.8 Ų34.824%0.24317%0.17CC..Hα-helixtrans-75.5-16.4173.7-70.6171.5-2500113D424 M458 I459 I460 H464D424-Q462 PolarHBondContact OD1-NE2 3.37Å; M458-Q462 WeakPolarHBondContact O-CG 3.47Å; M458-Q462 PolarHBondContact O-N 2.97Å; I459-Q462 PolarHBondContact O-N 3.3Å; I460-Q462 VanDerWaalsContact C-N 3.29Å; I460-Q462 PolarHBondContact O-N 3.49Å; Q462-H464 VanDerWaalsContact CB-CD2 3.48Å; Q462-H464 WeakPolarHBondContact CB-CD2 3.34Å
463G91.1Very high93.7Very high20 Ų2038.2 Ų38.221%0.20619%0.188CC..THydrogen-bonded Turntrans83.414.1-178.200000114.7I459 I460 H461 Y465I459-G463 PolarHBondContact O-N 3.43Å; I459-G463 VanDerWaalsContact O-N 3.13Å; I460-G463 PolarHBondContact O-N 3.05Å; H461-G463 VanDerWaalsContact C-N 3.29Å; G463-Y465 WeakPolarHBondContact O-CD2 3.4Å; G463-Y465 PolarHBondContact O-N 2.81Å
464H93.3Very high93.3Very high91 Ų9143.5 Ų43.542%0.42121%0.213SC..  trans-83.660.5176.9-62.5-54.9000111.3I459 Q462 R466 K467 A468I459-H464 HydrophobicContact CG2-CB 3.75Å; I459-H464 VanDerWaalsContact CG2-O 3.27Å; I459-H464 WeakPolarHBondContact CG2-O 3.04Å; I459-H464 PolarHBondContact O-N 2.95Å; I459-H464 VanDerWaalsContact O-N 3.08Å; Q462-H464 VanDerWaalsContact CB-CD2 3.48Å; Q462-H464 WeakPolarHBondContact CB-CD2 3.34Å; H464-R466 VanDerWaalsContact C-N 3.35Å; H464-R466 PolarHBondContact O-N 3.43Å; H464-K467 HydrophobicContact CB-CB 4.32Å; H464-K467 HydrophobicContact CB-CD 4.3Å; H464-K467 WeakPolarHBondContact O-CB 3.45Å; H464-K467 PolarHBondContact O-N 3.5Å; H464-A468 PolarHBondContact O-N 3.46Å
465Y93.8Very high92.5Very high20 Ų2044 Ų448%0.07822%0.215CC..Hα-helixtrans-58.9-36.7-168.9-58.5-70.2000114.8E350 R397 G463 K467 A468 V469 C506 A509E350-Y465 WeakPolarHBondContact OE1-CE1 3.34Å; E350-Y465 PolarHBondContact OE1-OH 2.93Å; R397-Y465 VanDerWaalsContact NH1-CZ 3.28Å; R397-Y465 PolarHBondContact NH1-OH 3.42Å; R397-Y465 PolarHBondContact NH2-OH 3.42Å; G463-Y465 WeakPolarHBondContact O-CD2 3.4Å; G463-Y465 PolarHBondContact O-N 2.81Å; Y465-K467 VanDerWaalsContact C-N 3.35Å; Y465-K467 PolarHBondContact O-N 3.18Å; Y465-A468 WeakPolarHBondContact O-CB 3.38Å; Y465-A468 PolarHBondContact O-N 3.03Å; Y465-V469 WeakPolarHBondContact O-CG2 3.37Å; Y465-V469 PolarHBondContact O-N 3.49Å; Y465-C506 HydrophobicContact CD1-CB 4.13Å; Y465-A509 HydrophobicContact CD1-CB 3.94Å; Y465-A509 HydrophobicContact CD2-CB 3.81Å; Y465-A509 HydrophobicContact CE1-CB 3.58Å; Y465-A509 HydrophobicContact CE2-CB 3.46Å; Y465-A509 VanDerWaalsContact CE2-CB 3.46Å; Y465-A509 HydrophobicContact CG-CB 4.01Å
466R94.7Very high91.5Very high161 Ų16143 Ų4361%0.60821%0.212SC*.Hα-helixtrans-61.9-42.3175.8-71.9-171.4179.9173.91112.2H464 A468 V469 S470 L510H464-R466 VanDerWaalsContact C-N 3.35Å; H464-R466 PolarHBondContact O-N 3.43Å; R466-A468 VanDerWaalsContact C-N 3.33Å; R466-V469 PolarHBondContact O-N 2.98Å; R466-S470 PolarHBondContact O-N 2.92Å; R466-S470 PolarHBondContact O-OG 2.86Å; R466-L510 HydrophobicContact CG-CD1 3.96Å; R466-L510 HydrophobicContact CG-CD2 3.9Å
467K94.7Very high90.2Very high124 Ų12446.3 Ų46.354%0.53923%0.234SC..Hα-helixtrans-65.7-39.4175.5-65.7-177.9-178.91750110.5I459 H464 Y465 S470 S471I459-K467 HydrophobicContact CG2-CB 3.87Å; H464-K467 HydrophobicContact CB-CB 4.32Å; H464-K467 HydrophobicContact CB-CD 4.3Å; H464-K467 WeakPolarHBondContact O-CB 3.45Å; H464-K467 PolarHBondContact O-N 3.5Å; Y465-K467 VanDerWaalsContact C-N 3.35Å; Y465-K467 PolarHBondContact O-N 3.18Å; K467-S470 PolarHBondContact O-N 3.31Å; K467-S471 WeakPolarHBondContact O-CB 3.25Å; K467-S471 PolarHBondContact O-N 3.13Å
468A94.5Very high88.5Confident0 Ų051.4 Ų51.40%027%0.265CS..Hα-helixtrans-62.4-46.1176.400000111.9I459 I460 H464 Y465 R466 S470 S471 L472I459-A468 HydrophobicContact CB-CB 4.45Å; I459-A468 HydrophobicContact CG2-CB 3.79Å; I460-A468 HydrophobicContact CG1-CB 3.74Å; H464-A468 PolarHBondContact O-N 3.46Å; Y465-A468 WeakPolarHBondContact O-CB 3.38Å; Y465-A468 PolarHBondContact O-N 3.03Å; R466-A468 VanDerWaalsContact C-N 3.33Å; A468-S470 PolarHBondContact O-N 3.37Å; A468-S471 PolarHBondContact O-N 3.45Å; A468-L472 WeakPolarHBondContact O-CB 3.48Å; A468-L472 VanDerWaalsContact O-CG 3.22Å; A468-L472 WeakPolarHBondContact O-CG 3.31Å; A468-L472 PolarHBondContact O-N 3.43Å
469V94.6Very high86.6Confident26 Ų2654.1 Ų54.116%0.15828%0.278CS..Hα-helixtrans-57.8-48.5177.2170.40000111.1Y465 R466 S471 L472 H473 C506Y465-V469 WeakPolarHBondContact O-CG2 3.37Å; Y465-V469 PolarHBondContact O-N 3.49Å; R466-V469 PolarHBondContact O-N 2.98Å; V469-S471 PolarHBondContact O-N 3.33Å; V469-L472 PolarHBondContact O-N 3.3Å; V469-H473 WeakPolarHBondContact O-CB 3.26Å; V469-H473 PolarHBondContact O-N 3.43Å; V469-C506 HydrophobicContact CG2-CB 3.55Å
470S93.1Very high84.3Confident72 Ų7260.4 Ų60.450%0.50331%0.307SS..Hα-helixtrans-59.8-44.1177.2-61.20000112.4R466 K467 A468 H473 Q474R466-S470 PolarHBondContact O-N 2.92Å; R466-S470 PolarHBondContact O-OG 2.86Å; K467-S470 PolarHBondContact O-N 3.31Å; A468-S470 PolarHBondContact O-N 3.37Å; S470-H473 PolarHBondContact O-N 3.4Å; S470-Q474 WeakPolarHBondContact O-CG 3.33Å; S470-Q474 PolarHBondContact O-N 3.4Å; S470-Q474 VanDerWaalsContact O-N 3.13Å
471S90.8Very high81.6Confident24 Ų2464.5 Ų64.517%0.16833%0.334CS..Hα-helixtrans-62.9-45.8178.3-179.40000112.3S456 K467 A468 V469 Q474 M475S456-S471 PolarHBondContact OG-OG 3.48Å; K467-S471 WeakPolarHBondContact O-CB 3.25Å; K467-S471 PolarHBondContact O-N 3.13Å; A468-S471 PolarHBondContact O-N 3.45Å; V469-S471 PolarHBondContact O-N 3.33Å; S471-Q474 PolarHBondContact O-N 3.47Å; S471-M475 PolarHBondContact O-N 2.79Å; S471-M475 VanDerWaalsContact O-N 3.09Å
472L91.3Very high78.7Confident0 Ų070.9 Ų70.90%036%0.363CS..Hα-helixtrans-67-36.1178.3-69.7167.1000111.7I460 A468 V469 M475 A476 Q502 Q503I460-L472 HydrophobicContact CD1-CD1 4.5Å; A468-L472 WeakPolarHBondContact O-CB 3.48Å; A468-L472 VanDerWaalsContact O-CG 3.22Å; A468-L472 WeakPolarHBondContact O-CG 3.31Å; A468-L472 PolarHBondContact O-N 3.43Å; V469-L472 PolarHBondContact O-N 3.3Å; L472-M475 WeakPolarHBondContact O-CB 3.25Å; L472-M475 PolarHBondContact O-N 3.21Å; L472-A476 PolarHBondContact O-N 2.83Å; L472-Q502 HydrophobicContact CD1-CB 3.66Å; L472-Q502 HydrophobicContact CD2-CB 4.24Å; L472-Q503 HydrophobicContact CB-CG 3.8Å; L472-Q503 HydrophobicContact CD1-CG 4.03Å
473H88.4Confident75.9Confident118 Ų11874.8 Ų74.855%0.54639%0.393SS..Hα-helixtrans-65.1-44.5177.1-166.576.9000111.6V469 S470 M475 A476 S477V469-H473 WeakPolarHBondContact O-CB 3.26Å; V469-H473 PolarHBondContact O-N 3.43Å; S470-H473 PolarHBondContact O-N 3.4Å; H473-M475 PolarHBondContact O-N 3.18Å; H473-A476 PolarHBondContact O-N 3.3Å; H473-S477 PolarHBondContact O-N 3.23Å; H473-S477 PolarHBondContact O-OG 3.36Å
474Q84.4Confident73.1Confident119 Ų11978.1 Ų78.156%0.55642%0.419SS*.Hα-helixtrans-64.2-25.4172.9-69.9175.8-1.900113R452 S470 S471 S477 V478R452-Q474 PolarHBondContact NH2-O 3.06Å; R452-Q474 VanDerWaalsContact NH2-O 3.11Å; S470-Q474 WeakPolarHBondContact O-CG 3.33Å; S470-Q474 PolarHBondContact O-N 3.4Å; S470-Q474 VanDerWaalsContact O-N 3.13Å; S471-Q474 PolarHBondContact O-N 3.47Å; Q474-S477 PolarHBondContact O-OG 2.94Å; Q474-V478 VanDerWaalsContact O-CG2 3.28Å; Q474-V478 WeakPolarHBondContact O-CG2 3.21Å
475M80Confident70.4Confident10 Ų1081.2 Ų81.25%0.04943%0.433CS..Hα-helixtrans-74.8-44.4175.7-168-179.1-68.500110.2L449 R452 I453 S471 L472 H473 S477 V478 Q479L449-M475 HydrophobicContact CD1-CG 3.97Å; L449-M475 HydrophobicContact CD1-SD 4.03Å; R452-M475 HydrophobicContact CB-CE 3.63Å; R452-M475 VanDerWaalsContact NH2-CA 3.27Å; R452-M475 VanDerWaalsContact NH2-N 3.14Å; I453-M475 HydrophobicContact CG1-CE 4.11Å; I453-M475 HydrophobicContact CG1-SD 4.11Å; S471-M475 PolarHBondContact O-N 2.79Å; S471-M475 VanDerWaalsContact O-N 3.09Å; L472-M475 WeakPolarHBondContact O-CB 3.25Å; L472-M475 PolarHBondContact O-N 3.21Å; H473-M475 PolarHBondContact O-N 3.18Å; M475-S477 PolarHBondContact O-N 3.19Å; M475-V478 PolarHBondContact O-N 2.99Å; M475-Q479 WeakPolarHBondContact O-CG 3.47Å
476A74.9Confident67.5Low12 Ų1288.9 Ų88.910%0.09947%0.47CS..Hα-helixtrans-66.6-34178.300000113.5L472 H473 Q479 A499L472-A476 PolarHBondContact O-N 2.83Å; H473-A476 PolarHBondContact O-N 3.3Å; A476-Q479 PolarHBondContact O-N 3.24Å; A476-A499 HydrophobicContact CB-CB 4.33Å
477S68Low64.5Low68 Ų6884.1 Ų84.148%0.47646%0.462SS..Hα-helixtrans-71-30.318064.70000113.7H473 Q474 M475 Q479H473-S477 PolarHBondContact O-N 3.23Å; H473-S477 PolarHBondContact O-OG 3.36Å; Q474-S477 PolarHBondContact O-OG 2.94Å; M475-S477 PolarHBondContact O-N 3.19Å; S477-Q479 VanDerWaalsContact C-N 3.28Å
478V60.1Low61.5Low107 Ų10785 Ų8565%0.64848%0.48SS*.Hα-helixtrans-77.1-18.5179.7174.20000111.7Q474 M475Q474-V478 VanDerWaalsContact O-CG2 3.28Å; Q474-V478 WeakPolarHBondContact O-CG2 3.21Å; M475-V478 PolarHBondContact O-N 2.99Å
479Q55.4Low58.8Low60 Ų6088.7 Ų88.728%0.2850%0.502SS..THydrogen-bonded Turntrans-104.711.9-173-66.9-177.6-33.800114.3M475 A476 S477 P481 E495M475-Q479 WeakPolarHBondContact O-CG 3.47Å; A476-Q479 PolarHBondContact O-N 3.24Å; S477-Q479 VanDerWaalsContact C-N 3.28Å; Q479-P481 WeakPolarHBondContact O-CD 3.33Å; Q479-E495 PolarHBondContact NE2-OE2 3.17Å
480Q45.4Very low56.2Low163 Ų16391 Ų9176%0.76253%0.532SS*.PPolyproline II helixtrans-60.8123.8175.8-86.6-170.1-16.300110.4Q482Q480-Q482 PolarHBondContact O-N 3.43Å
481P40.1Very low53.9Low88 Ų8894.7 Ų94.757%0.57154%0.541SS*.PPolyproline II helixtrans-62132.1173.8-1728.8000109.7Q479Q479-P481 WeakPolarHBondContact O-CD 3.33Å
482Q31.9Very low51.4Low153 Ų15396.6 Ų96.672%0.71556%0.558SS**PPolyproline II helixtrans-57.7138.5162.1-73.3178.6-5.400108.4Q480 A484 Q485Q480-Q482 PolarHBondContact O-N 3.43Å; Q482-A484 PolarHBondContact O-N 2.89Å; Q482-Q485 PolarHBondContact O-N 3.39Å
483P34.3Very low49.9Very low135 Ų13598.4 Ų98.488%0.87757%0.571SS**THydrogen-bonded Turntrans-63.85.3-171.921.2-31.1000116
484A31.6Very low48.5Very low90 Ų9096 Ų9674%0.74456%0.561SS**THydrogen-bonded Turntrans-106.1-5.4-176.800000115.3Q482Q482-A484 PolarHBondContact O-N 2.89Å
485Q35.9Very low47.5Very low155 Ų15593.7 Ų93.772%0.72455%0.551SS**  trans-123.465.2-179.6-72.2-178-1000111.7Q482 S487Q482-Q485 PolarHBondContact O-N 3.39Å; Q485-S487 PolarHBondContact O-N 3.48Å
486Q33.4Very low47.4Very low182 Ų18297.4 Ų97.485%0.8557%0.568SS**  trans-76.9101.6160.5-71.8-179.43.700108
487S31.9Very low47.6Very low61 Ų6197.5 Ų97.543%0.42757%0.566SS.*  trans-63.8134.8165.912.50000108.6Q485 T489Q485-S487 PolarHBondContact O-N 3.48Å; S487-T489 PolarHBondContact O-N 3.21Å; S487-T489 VanDerWaalsContact O-N 3.13Å
488P31.4Very low48.5Very low141 Ų14194.7 Ų94.792%0.91655%0.545SS*.SBendtrans-72.3-3-176.527.3-32.9000113.7
489T38.4Very low49.9Very low78 Ų7889.7 Ų89.748%0.47952%0.515SS..SBendtrans-102.3123.4168.251.70000107.2S487 Q491S487-T489 PolarHBondContact O-N 3.21Å; S487-T489 VanDerWaalsContact O-N 3.13Å; T489-Q491 PolarHBondContact O-N 2.95Å
490G40.5Very low51.6Low75 Ų7587.4 Ų87.477%0.77351%0.505SS*.THydrogen-bonded Turntrans-61.236.1-176.400000117.4
491Q42.8Very low53.9Low150 Ų15079.7 Ų79.770%0.70147%0.468SS*.THydrogen-bonded Turntrans-79-13.5177.9-73.2-176.7-43.700113.3T489 S493T489-Q491 PolarHBondContact O-N 2.95Å; Q491-S493 PolarHBondContact O-N 3.4Å
492A39.8Very low56.5Low64 Ų6475.6 Ų75.653%0.52944%0.442SS..THydrogen-bonded Turntrans-70.522.7176.900000115
493S59Low59.5Low37 Ų3768.5 Ų68.526%0.25941%0.409SS..THydrogen-bonded Turntrans-142.4-21.8-161.8173.20000115.9Q491 H497Q491-S493 PolarHBondContact O-N 3.4Å; S493-H497 VanDerWaalsContact O-CB 3.3Å; S493-H497 WeakPolarHBondContact O-CB 3.4Å; S493-H497 PolarHBondContact O-N 2.85Å; S493-H497 PolarHBondContact O-ND1 3.24Å; S493-H497 PolarHBondContact OG-CE1 3.08Å; S493-H497 PolarHBondContact OG-ND1 3.23Å; S493-H497 PolarHBondContact OG-NE2 3.48Å
494L59Low62.4Low68 Ų6862.1 Ų62.136%0.35637%0.367SS..Hα-helixtrans-72.8-37.1-174.8-75.5167.4000114.6H497 R498L494-H497 PolarHBondContact O-N 2.82Å; L494-R498 PolarHBondContact O-N 2.69Å
495E64.1Low65.5Low70 Ų7057.9 Ų57.933%0.32733%0.332SS..Hα-helixtrans-73-38.7178.8-62.3-170.4167.500111.9Q479 R498 A499Q479-E495 PolarHBondContact NE2-OE2 3.17Å; E495-R498 WeakPolarHBondContact O-CB 3.38Å; E495-R498 PolarHBondContact O-N 3.33Å; E495-A499 PolarHBondContact O-N 3.36Å; E495-A499 VanDerWaalsContact O-N 3.16Å
496H76.9Confident68.3Low88 Ų8850.5 Ų50.541%0.40730%0.298SS..Hα-helixtrans-63-44.7171.4-17470.2000111.2R498 A499 L500H496-R498 VanDerWaalsContact C-N 3.32Å; H496-R498 PolarHBondContact O-N 3.27Å; H496-A499 PolarHBondContact O-N 3.12Å; H496-L500 WeakPolarHBondContact NE2-CD1 3.43Å; H496-L500 WeakPolarHBondContact O-CG 3.42Å; H496-L500 PolarHBondContact O-N 3.35Å
497H79.8Confident71.3Confident15 Ų1542.8 Ų42.87%0.06926%0.261CS..Hα-helixtrans-59.5-41.1173.5-70.9162.9000112.1S493 L494 A499 L500 I501 V523S493-H497 VanDerWaalsContact O-CB 3.3Å; S493-H497 WeakPolarHBondContact O-CB 3.4Å; S493-H497 PolarHBondContact O-N 2.85Å; S493-H497 PolarHBondContact O-ND1 3.24Å; S493-H497 PolarHBondContact OG-CE1 3.08Å; S493-H497 PolarHBondContact OG-ND1 3.23Å; S493-H497 PolarHBondContact OG-NE2 3.48Å; L494-H497 PolarHBondContact O-N 2.82Å; H497-A499 PolarHBondContact O-N 3.4Å; H497-L500 PolarHBondContact O-N 3.25Å; H497-I501 HydrophobicContact CB-CD1 4.35Å; H497-I501 WeakPolarHBondContact O-CB 3.41Å; H497-I501 VanDerWaalsContact O-CD1 3.31Å; H497-I501 WeakPolarHBondContact O-CD1 3.42Å; H497-I501 WeakPolarHBondContact O-CG1 3.46Å; H497-I501 PolarHBondContact O-N 3.32Å; H497-V523 HydrophobicContact CB-CG1 4.38Å
498R86.4Confident74.2Confident9 Ų942.9 Ų42.93%0.03425%0.253CS..Hα-helixtrans-52.9-53.8173.7162.7174.3-166.5128.813111.2W346 I347 D457 L494 E495 H496 L500 I501 Q502W346-R498 VanDerWaalsContact O-CZ 3.31Å; W346-R498 PolarHBondContact O-NH1 2.73Å; W346-R498 PolarHBondContact O-NH2 3.23Å; I347-R498 HydrophobicContact CG2-CB 3.78Å; I347-R498 HydrophobicContact CG2-CG 3.54Å; D457-R498 IonicContact OD1-NH2 3.9Å; D457-R498 PolarHBondContact OD1-NH2 3.17Å; D457-R498 VanDerWaalsContact OD1-NH2 3.08Å; D457-R498 IonicContact OD2-NH2 3.53Å; D457-R498 PolarHBondContact OD2-NH2 3.23Å; D457-R498 VanDerWaalsContact OD2-NH2 3.12Å; L494-R498 PolarHBondContact O-N 2.69Å; E495-R498 WeakPolarHBondContact O-CB 3.38Å; E495-R498 PolarHBondContact O-N 3.33Å; H496-R498 VanDerWaalsContact C-N 3.32Å; H496-R498 PolarHBondContact O-N 3.27Å; R498-L500 VanDerWaalsContact C-N 3.32Å; R498-L500 PolarHBondContact O-N 2.86Å; R498-I501 PolarHBondContact O-N 3.06Å; R498-Q502 VanDerWaalsContact NE-OE1 3.14Å; R498-Q502 WeakPolarHBondContact O-CG 3.48Å; R498-Q502 PolarHBondContact O-N 3.43Å
499A89.6Confident77.1Confident1 Ų138 Ų381%0.00822%0.224CC..Hα-helixtrans-60.9-42.8-177.600000111.6A476 E495 H496 H497 Q502 Q503A476-A499 HydrophobicContact CB-CB 4.33Å; E495-A499 PolarHBondContact O-N 3.36Å; E495-A499 VanDerWaalsContact O-N 3.16Å; H496-A499 PolarHBondContact O-N 3.12Å; H497-A499 PolarHBondContact O-N 3.4Å; A499-Q502 PolarHBondContact O-N 3.15Å; A499-Q503 WeakPolarHBondContact O-CB 3.22Å; A499-Q503 VanDerWaalsContact O-CG 3.23Å; A499-Q503 WeakPolarHBondContact O-CG 3.48Å; A499-Q503 PolarHBondContact O-N 2.94Å
500L91.9Very high79.7Confident13 Ų1337 Ų377%0.06822%0.215CC..Hα-helixtrans-64.6-42.1177.3-70.6177.5000113.1H496 H497 R498 Q503 A504 K519 D522 V523H496-L500 WeakPolarHBondContact NE2-CD1 3.43Å; H496-L500 WeakPolarHBondContact O-CG 3.42Å; H496-L500 PolarHBondContact O-N 3.35Å; H497-L500 PolarHBondContact O-N 3.25Å; R498-L500 VanDerWaalsContact C-N 3.32Å; R498-L500 PolarHBondContact O-N 2.86Å; L500-Q503 WeakPolarHBondContact O-CB 3.45Å; L500-Q503 PolarHBondContact O-N 3.35Å; L500-A504 WeakPolarHBondContact O-CB 3.3Å; L500-A504 PolarHBondContact O-N 3.49Å; L500-K519 HydrophobicContact CD2-CD 3.85Å; L500-D522 HydrophobicContact CD1-CB 4.26Å; L500-V523 HydrophobicContact CB-CG2 3.47Å; L500-V523 VanDerWaalsContact CB-CG2 3.47Å; L500-V523 HydrophobicContact CD1-CG2 3.89Å; L500-V523 HydrophobicContact CG-CG2 4.36Å
501I93.3Very high82.1Confident0 Ų035 Ų350%020%0.196CC..Hα-helixtrans-66.1-43.6178.9-62.8158.3000110.2I347 V349 H497 R498 Q503 A504 S505 V523 V564 F567I347-I501 HydrophobicContact CD1-CB 3.95Å; I347-I501 HydrophobicContact CD1-CD1 3.63Å; I347-I501 HydrophobicContact CD1-CG1 4.39Å; I347-I501 HydrophobicContact CD1-CG2 3.56Å; V349-I501 HydrophobicContact CG1-CG2 3.95Å; H497-I501 HydrophobicContact CB-CD1 4.35Å; H497-I501 WeakPolarHBondContact O-CB 3.41Å; H497-I501 VanDerWaalsContact O-CD1 3.31Å; H497-I501 WeakPolarHBondContact O-CD1 3.42Å; H497-I501 WeakPolarHBondContact O-CG1 3.46Å; H497-I501 PolarHBondContact O-N 3.32Å; R498-I501 PolarHBondContact O-N 3.06Å; I501-Q503 VanDerWaalsContact C-N 3.34Å; I501-A504 WeakPolarHBondContact O-CB 3.48Å; I501-A504 PolarHBondContact O-N 3.27Å; I501-S505 WeakPolarHBondContact O-CB 3.26Å; I501-S505 PolarHBondContact O-N 2.89Å; I501-V523 HydrophobicContact CD1-CG1 4.12Å; I501-V523 HydrophobicContact CG1-CB 4.46Å; I501-V523 HydrophobicContact CG1-CG1 3.95Å; I501-V523 HydrophobicContact CG1-CG2 3.87Å; I501-V564 HydrophobicContact CD1-CB 4.36Å; I501-V564 HydrophobicContact CD1-CG1 3.49Å; I501-V564 VanDerWaalsContact CD1-CG1 3.49Å; I501-V564 HydrophobicContact CD1-CG2 3.87Å; I501-V564 HydrophobicContact CG1-CG1 4.22Å; I501-F567 HydrophobicContact CG2-CD1 3.89Å; I501-F567 HydrophobicContact CG2-CE1 3.58Å
502Q94.9Very high84.5Confident2 Ų231.2 Ų31.21%0.00918%0.178CC..Hα-helixtrans-65.7-37.3175.8-66.4-171.2-73.900111.5I347 L348 D457 I460 L472 R498 A499 S505 C506I347-Q502 HydrophobicContact CB-CG 4.45Å; L348-Q502 PolarHBondContact O-NE2 3.28Å; L348-Q502 VanDerWaalsContact O-NE2 3.13Å; D457-Q502 PolarHBondContact OD1-NE2 3.06Å; I460-Q502 HydrophobicContact CD1-CB 4.24Å; L472-Q502 HydrophobicContact CD1-CB 3.66Å; L472-Q502 HydrophobicContact CD2-CB 4.24Å; R498-Q502 VanDerWaalsContact NE-OE1 3.14Å; R498-Q502 WeakPolarHBondContact O-CG 3.48Å; R498-Q502 PolarHBondContact O-N 3.43Å; A499-Q502 PolarHBondContact O-N 3.15Å; Q502-S505 PolarHBondContact O-N 3.26Å; Q502-C506 PolarHBondContact O-N 3.23Å; Q502-C506 PolarHBondContact O-SG 3.27Å
503Q95.2Very high87.1Confident5 Ų530.6 Ų30.62%0.02316%0.162CC..Hα-helixtrans-61.7-46.2171.4-77.8173.71100111.8L472 A499 L500 I501 S505 C506 H507 K519L472-Q503 HydrophobicContact CB-CG 3.8Å; L472-Q503 HydrophobicContact CD1-CG 4.03Å; A499-Q503 WeakPolarHBondContact O-CB 3.22Å; A499-Q503 VanDerWaalsContact O-CG 3.23Å; A499-Q503 WeakPolarHBondContact O-CG 3.48Å; A499-Q503 PolarHBondContact O-N 2.94Å; L500-Q503 WeakPolarHBondContact O-CB 3.45Å; L500-Q503 PolarHBondContact O-N 3.35Å; I501-Q503 VanDerWaalsContact C-N 3.34Å; Q503-S505 VanDerWaalsContact C-N 3.3Å; Q503-S505 PolarHBondContact O-N 3.49Å; Q503-C506 PolarHBondContact O-N 2.9Å; Q503-H507 PolarHBondContact O-CD2 2.78Å; Q503-H507 PolarHBondContact O-N 2.89Å; Q503-K519 HydrophobicContact CB-CG 4.41Å
504A95.5Very high88.8Confident0 Ų034.3 Ų34.30%017%0.171CC..Hα-helixtrans-58-45.2177.200000111.6L500 I501 C506 H507 Y508 A516 K519 L520 L571L500-A504 WeakPolarHBondContact O-CB 3.3Å; L500-A504 PolarHBondContact O-N 3.49Å; I501-A504 WeakPolarHBondContact O-CB 3.48Å; I501-A504 PolarHBondContact O-N 3.27Å; A504-C506 PolarHBondContact O-N 3.01Å; A504-H507 PolarHBondContact O-N 3.06Å; A504-Y508 WeakPolarHBondContact O-CB 3.35Å; A504-Y508 PolarHBondContact O-N 3.46Å; A504-A516 WeakPolarHBondContact O-CB 3.23Å; A504-K519 HydrophobicContact CB-CB 3.99Å; A504-L520 HydrophobicContact CB-CD2 3.56Å; A504-L520 HydrophobicContact CB-CG 3.67Å; A504-L571 HydrophobicContact CB-CD2 4.18Å
505S95.3Very high90.5Very high1 Ų134.3 Ų34.31%0.00717%0.17CC..Hα-helixtrans-60.2-43.1175.8-1670000112.2E350 I501 Q502 Q503 Y508 A509E350-S505 WeakPolarHBondContact CG-OG 3.36Å; E350-S505 PolarHBondContact N-OG 3.05Å; I501-S505 WeakPolarHBondContact O-CB 3.26Å; I501-S505 PolarHBondContact O-N 2.89Å; Q502-S505 PolarHBondContact O-N 3.26Å; Q503-S505 VanDerWaalsContact C-N 3.3Å; Q503-S505 PolarHBondContact O-N 3.49Å; S505-Y508 PolarHBondContact O-N 2.65Å; S505-A509 PolarHBondContact O-N 2.78Å; S505-A509 VanDerWaalsContact O-N 3.13Å
506C95.9Very high92Very high1 Ų131 Ų311%0.00715%0.154CC..Hα-helixtrans-65.9-44.4175.9-70.30000112.5Y465 V469 Q502 Q503 A504 Y508 A509 L510Y465-C506 HydrophobicContact CD1-CB 4.13Å; V469-C506 HydrophobicContact CG2-CB 3.55Å; Q502-C506 PolarHBondContact O-N 3.23Å; Q502-C506 PolarHBondContact O-SG 3.27Å; Q503-C506 PolarHBondContact O-N 2.9Å; A504-C506 PolarHBondContact O-N 3.01Å; C506-Y508 VanDerWaalsContact C-N 3.31Å; C506-Y508 PolarHBondContact O-N 3.02Å; C506-A509 PolarHBondContact O-N 3.46Å; C506-L510 WeakPolarHBondContact O-CG 3.2Å; C506-L510 PolarHBondContact O-N 2.7Å
507H95.8Very high92.9Very high19 Ų1926.8 Ų26.89%0.08814%0.135CC..Hα-helixtrans-61.9-39.8176.9-77.2-58.5000111.5Q503 A504 L510 G511 E512 M515 A516Q503-H507 PolarHBondContact O-CD2 2.78Å; Q503-H507 PolarHBondContact O-N 2.89Å; A504-H507 PolarHBondContact O-N 3.06Å; H507-L510 PolarHBondContact O-N 2.72Å; H507-G511 PolarHBondContact O-N 2.93Å; H507-G511 VanDerWaalsContact O-N 3.17Å; H507-E512 HydrophobicContact CB-CB 4.21Å; H507-E512 IonicContact CE1-OE2 2.73Å; H507-E512 PolarHBondContact CE1-OE2 2.96Å; H507-E512 IonicContact CG-OE2 2.64Å; H507-E512 IonicContact ND1-OE2 3.89Å; H507-E512 PolarHBondContact ND1-OE2 3.36Å; H507-E512 PolarHBondContact O-N 3.09Å; H507-M515 HydrophobicContact CB-CB 4.21Å; H507-A516 HydrophobicContact CB-CB 3.83Å
508Y93.9Very high93.6Very high64 Ų6428.7 Ų28.725%0.25114%0.143SC..Hα-helixtrans-59-47.9173.2172.4-103.5000111.6E350 L352 A504 S505 C506 L510 G511 Y513 L571 A574E350-Y508 HydrophobicContact CG-CD1 4.42Å; L352-Y508 HydrophobicContact CD2-CE1 4.3Å; A504-Y508 WeakPolarHBondContact O-CB 3.35Å; A504-Y508 PolarHBondContact O-N 3.46Å; S505-Y508 PolarHBondContact O-N 2.65Å; C506-Y508 VanDerWaalsContact C-N 3.31Å; C506-Y508 PolarHBondContact O-N 3.02Å; Y508-L510 PolarHBondContact O-N 3.11Å; Y508-G511 PolarHBondContact O-N 3.13Å; Y508-Y513 AromaticContact CD2-CD1 3.89Å; Y508-Y513 HydrophobicContact CD2-CD1 3.89Å; Y508-Y513 AromaticContact CD2-CE1 3.8Å; Y508-Y513 HydrophobicContact CD2-CE1 3.8Å; Y508-Y513 HydrophobicContact CE2-CD1 4.3Å; Y508-Y513 AromaticContact CE2-CE1 3.87Å; Y508-Y513 HydrophobicContact CE2-CE1 3.87Å; Y508-L571 HydrophobicContact CD1-CD1 3.64Å; Y508-L571 HydrophobicContact CD2-CD1 3.82Å; Y508-L571 HydrophobicContact CE1-CD1 4.2Å; Y508-L571 HydrophobicContact CE2-CD1 4.38Å; Y508-L571 HydrophobicContact CG-CD1 3.43Å; Y508-L571 VanDerWaalsContact CG-CD1 3.43Å; Y508-L571 HydrophobicContact CG-CG 4.45Å; Y508-A574 HydrophobicContact CD2-CB 4.44Å; Y508-A574 HydrophobicContact CE2-CB 3.56Å
509A91.8Very high94Very high38 Ų3830 Ų3031%0.31415%0.15SC..Hα-helixtrans-65.4-25.1178.200000113.6E350 Y465 S505 C506 G511E350-A509 HydrophobicContact CG-CB 4.27Å; Y465-A509 HydrophobicContact CD1-CB 3.94Å; Y465-A509 HydrophobicContact CD2-CB 3.81Å; Y465-A509 HydrophobicContact CE1-CB 3.58Å; Y465-A509 HydrophobicContact CE2-CB 3.46Å; Y465-A509 VanDerWaalsContact CE2-CB 3.46Å; Y465-A509 HydrophobicContact CG-CB 4.01Å; S505-A509 PolarHBondContact O-N 2.78Å; S505-A509 VanDerWaalsContact O-N 3.13Å; C506-A509 PolarHBondContact O-N 3.46Å; A509-G511 VanDerWaalsContact C-N 3.31Å
510L92.1Very high94.2Very high56 Ų5630 Ų3029%0.29315%0.149SC..THydrogen-bonded Turntrans-80.4-8.2172.1-70.2169.7000113.6R466 C506 H507 Y508 E512R466-L510 HydrophobicContact CG-CD1 3.96Å; R466-L510 HydrophobicContact CG-CD2 3.9Å; C506-L510 WeakPolarHBondContact O-CG 3.2Å; C506-L510 PolarHBondContact O-N 2.7Å; H507-L510 PolarHBondContact O-N 2.72Å; Y508-L510 PolarHBondContact O-N 3.11Å; L510-E512 VanDerWaalsContact C-N 3.28Å; L510-E512 HydrophobicContact CB-CG 4.04Å
511G91.2Very high94.3Very high35 Ų3529.4 Ų29.436%0.36115%0.146SC..THydrogen-bonded Turntrans77.510.9-173.400000114.1H507 Y508 A509 Y513H507-G511 PolarHBondContact O-N 2.93Å; H507-G511 VanDerWaalsContact O-N 3.17Å; Y508-G511 PolarHBondContact O-N 3.13Å; A509-G511 VanDerWaalsContact C-N 3.31Å; G511-Y513 WeakPolarHBondContact O-CD2 3.31Å; G511-Y513 PolarHBondContact O-N 3.25Å; G511-Y513 VanDerWaalsContact O-N 3.09Å
512E94.4Very high94.2Very high70 Ų7031.8 Ų31.833%0.32716%0.159SC..  trans-8760.7-179.9-63.9169.2178.800109.9H507 L510 R514 M515 A516H507-E512 HydrophobicContact CB-CB 4.21Å; H507-E512 IonicContact CE1-OE2 2.73Å; H507-E512 PolarHBondContact CE1-OE2 2.96Å; H507-E512 IonicContact CG-OE2 2.64Å; H507-E512 IonicContact ND1-OE2 3.89Å; H507-E512 PolarHBondContact ND1-OE2 3.36Å; H507-E512 PolarHBondContact O-N 3.09Å; L510-E512 VanDerWaalsContact C-N 3.28Å; L510-E512 HydrophobicContact CB-CG 4.04Å; E512-R514 VanDerWaalsContact C-N 3.31Å; E512-R514 PolarHBondContact O-N 3.05Å; E512-M515 HydrophobicContact CB-CB 4.34Å; E512-M515 HydrophobicContact CB-CG 4.5Å; E512-M515 PolarHBondContact O-N 2.92Å; E512-M515 VanDerWaalsContact O-N 3.08Å; E512-A516 PolarHBondContact O-N 3.15Å
513Y93.9Very high94Very high51 Ų5131.7 Ų31.720%0.216%0.158CC..Hα-helixtrans-59.1-37.5-168.6-55.6-53.3000114Y508 G511 A516 C517 C575 P714Y508-Y513 AromaticContact CD2-CD1 3.89Å; Y508-Y513 HydrophobicContact CD2-CD1 3.89Å; Y508-Y513 AromaticContact CD2-CE1 3.8Å; Y508-Y513 HydrophobicContact CD2-CE1 3.8Å; Y508-Y513 HydrophobicContact CE2-CD1 4.3Å; Y508-Y513 AromaticContact CE2-CE1 3.87Å; Y508-Y513 HydrophobicContact CE2-CE1 3.87Å; G511-Y513 WeakPolarHBondContact O-CD2 3.31Å; G511-Y513 PolarHBondContact O-N 3.25Å; G511-Y513 VanDerWaalsContact O-N 3.09Å; Y513-A516 PolarHBondContact O-N 3.32Å; Y513-C517 PolarHBondContact O-N 2.98Å; Y513-C575 HydrophobicContact CD1-CB 4.18Å; Y513-C575 HydrophobicContact CG-CB 4.34Å; Y513-P714 HydrophobicContact CD2-CG 4.38Å
514R94.7Very high93.7Very high114 Ų11431.4 Ų31.443%0.4316%0.157SC..Hα-helixtrans-60.4-45.5175.7179.3176.8176.9-171.80.4112.1E512 C517 E518 I710 L713 P714E512-R514 VanDerWaalsContact C-N 3.31Å; E512-R514 PolarHBondContact O-N 3.05Å; R514-C517 PolarHBondContact O-N 3.22Å; R514-E518 PolarHBondContact O-N 3.4Å; R514-I710 HydrophobicContact CG-CG2 3.88Å; R514-L713 HydrophobicContact CB-CB 4.06Å; R514-P714 WeakPolarHBondContact CB-O 3.24Å
515M95.1Very high93.3Very high68 Ų6834.9 Ų34.934%0.33518%0.182SC..Hα-helixtrans-67.3-40.5177.6-63.2-79.874.600111.3H507 E512 C517 E518 K519H507-M515 HydrophobicContact CB-CB 4.21Å; E512-M515 HydrophobicContact CB-CB 4.34Å; E512-M515 HydrophobicContact CB-CG 4.5Å; E512-M515 PolarHBondContact O-N 2.92Å; E512-M515 VanDerWaalsContact O-N 3.08Å; M515-C517 PolarHBondContact O-N 3.45Å; M515-E518 HydrophobicContact CE-CB 4.42Å; M515-E518 WeakPolarHBondContact CE-OE2 3.33Å; M515-E518 PolarHBondContact O-N 3.39Å; M515-K519 WeakPolarHBondContact O-CG 3.08Å; M515-K519 PolarHBondContact O-N 2.89Å; M515-K519 VanDerWaalsContact O-N 3.15Å
516A95.4Very high92.8Very high0 Ų036.9 Ų36.90%020%0.202CC..Hα-helixtrans-56.2-51.8175.100000111.3A504 H507 E512 Y513 E518 K519 L520A504-A516 WeakPolarHBondContact O-CB 3.23Å; H507-A516 HydrophobicContact CB-CB 3.83Å; E512-A516 PolarHBondContact O-N 3.15Å; Y513-A516 PolarHBondContact O-N 3.32Å; A516-E518 PolarHBondContact O-N 3.08Å; A516-K519 PolarHBondContact O-N 3.38Å; A516-L520 WeakPolarHBondContact O-CG 3.25Å; A516-L520 PolarHBondContact O-N 2.84Å
517C95.3Very high92.2Very high0 Ų037.5 Ų37.50%021%0.206CC..Hα-helixtrans-65.4-36.3179.3-76.30000113.2Y513 R514 M515 K519 L520 L521 L713Y513-C517 PolarHBondContact O-N 2.98Å; R514-C517 PolarHBondContact O-N 3.22Å; M515-C517 PolarHBondContact O-N 3.45Å; C517-K519 PolarHBondContact O-N 3.27Å; C517-L520 PolarHBondContact O-N 3.21Å; C517-L521 WeakPolarHBondContact O-CB 3.44Å; C517-L521 WeakPolarHBondContact O-CD1 3.45Å; C517-L521 WeakPolarHBondContact O-CG 3.29Å; C517-L521 PolarHBondContact O-N 3.48Å; C517-L713 HydrophobicContact CB-CD1 3.68Å; C517-L713 WeakPolarHBondContact SG-CD1 3.41Å
518E95.1Very high91.4Very high55 Ų5542 Ų4226%0.25723%0.234SC..Hα-helixtrans-56.8-49.8174.3-173.2-175.5122.400111.4R514 M515 A516 L520 L521 D522 I710R514-E518 PolarHBondContact O-N 3.4Å; M515-E518 HydrophobicContact CE-CB 4.42Å; M515-E518 WeakPolarHBondContact CE-OE2 3.33Å; M515-E518 PolarHBondContact O-N 3.39Å; A516-E518 PolarHBondContact O-N 3.08Å; E518-L520 PolarHBondContact O-N 3.45Å; E518-L521 PolarHBondContact O-N 3.38Å; E518-D522 PolarHBondContact O-N 3.33Å; E518-D522 VanDerWaalsContact O-N 3.08Å; E518-I710 HydrophobicContact CB-CD1 4.26Å; E518-I710 HydrophobicContact CG-CD1 4.21Å
519K94.7Very high90.5Very high38 Ų3840.2 Ų40.217%0.16523%0.23CC..Hα-helixtrans-64.1-38.7178.3-58.4-52.7168.4-149.20112.6L500 Q503 A504 M515 A516 C517 D522 V523L500-K519 HydrophobicContact CD2-CD 3.85Å; Q503-K519 HydrophobicContact CB-CG 4.41Å; A504-K519 HydrophobicContact CB-CB 3.99Å; M515-K519 WeakPolarHBondContact O-CG 3.08Å; M515-K519 PolarHBondContact O-N 2.89Å; M515-K519 VanDerWaalsContact O-N 3.15Å; A516-K519 PolarHBondContact O-N 3.38Å; C517-K519 PolarHBondContact O-N 3.27Å; K519-D522 PolarHBondContact O-N 3.2Å; K519-V523 WeakPolarHBondContact O-CG2 3.42Å; K519-V523 PolarHBondContact O-N 2.93Å; K519-V523 VanDerWaalsContact O-N 3.15Å
520L93.9Very high89.7Confident0 Ų040.3 Ų40.30%023%0.228CC..Hα-helixtrans-64.1-42.8175.5-67.2174000112.3A504 A516 C517 E518 D522 V523 V524 C568 L571 M572A504-L520 HydrophobicContact CB-CD2 3.56Å; A504-L520 HydrophobicContact CB-CG 3.67Å; A516-L520 WeakPolarHBondContact O-CG 3.25Å; A516-L520 PolarHBondContact O-N 2.84Å; C517-L520 PolarHBondContact O-N 3.21Å; E518-L520 PolarHBondContact O-N 3.45Å; L520-D522 VanDerWaalsContact C-N 3.3Å; L520-D522 PolarHBondContact O-N 2.89Å; L520-V523 WeakPolarHBondContact O-CB 3.28Å; L520-V523 PolarHBondContact O-N 2.85Å; L520-V524 VanDerWaalsContact O-CG2 3.28Å; L520-V524 WeakPolarHBondContact O-CG2 3.36Å; L520-V524 PolarHBondContact O-N 2.83Å; L520-C568 HydrophobicContact CD2-CB 4.13Å; L520-L571 HydrophobicContact CD1-CB 3.79Å; L520-L571 HydrophobicContact CD1-CD2 3.85Å; L520-L571 HydrophobicContact CD1-CG 3.88Å; L520-L571 HydrophobicContact CD2-CD2 4.1Å; L520-L571 HydrophobicContact CG-CD2 4.36Å; L520-M572 HydrophobicContact CD1-CG 3.7Å
521L93.3Very high88.3Confident1 Ų144.8 Ų44.81%0.00525%0.252CS..Hα-helixtrans-68.1-32.8-178.6-68.9164.5000111.7C517 E518 S525 M572 C702 K706 I709 I710C517-L521 WeakPolarHBondContact O-CB 3.44Å; C517-L521 WeakPolarHBondContact O-CD1 3.45Å; C517-L521 WeakPolarHBondContact O-CG 3.29Å; C517-L521 PolarHBondContact O-N 3.48Å; E518-L521 PolarHBondContact O-N 3.38Å; L521-S525 WeakPolarHBondContact O-CB 3.46Å; L521-S525 PolarHBondContact O-N 2.63Å; L521-M572 HydrophobicContact CD2-CE 4.12Å; L521-M572 HydrophobicContact CD2-SD 4.2Å; L521-C702 HydrophobicContact CD2-CB 3.73Å; L521-C702 WeakPolarHBondContact CD2-O 3.29Å; L521-K706 HydrophobicContact CB-CD 4.28Å; L521-K706 HydrophobicContact CB-CG 4.13Å; L521-K706 HydrophobicContact CD1-CG 4.01Å; L521-I709 HydrophobicContact CD1-CB 4.27Å; L521-I709 HydrophobicContact CD1-CG2 3.83Å; L521-I709 HydrophobicContact CD2-CD1 4.43Å; L521-I710 HydrophobicContact CD1-CD1 3.95Å; L521-I710 HydrophobicContact CD1-CG1 3.65Å
522D90.9Very high86.3Confident49 Ų4949 Ų4926%0.26226%0.262SS..Hα-helixtrans-62.4-46.1169.4-68.6-17.1000111.5L500 E518 K519 L520 S525 K706L500-D522 HydrophobicContact CD1-CB 4.26Å; E518-D522 PolarHBondContact O-N 3.33Å; E518-D522 VanDerWaalsContact O-N 3.08Å; K519-D522 PolarHBondContact O-N 3.2Å; L520-D522 VanDerWaalsContact C-N 3.3Å; L520-D522 PolarHBondContact O-N 2.89Å; D522-S525 PolarHBondContact O-N 3.39Å; D522-S525 PolarHBondContact O-OG 3.44Å; D522-K706 IonicContact OD1-NZ 3.65Å; D522-K706 PolarHBondContact OD1-NZ 3.41Å
523V90.2Very high83.5Confident0 Ų053.8 Ų53.80%028%0.284CS..Hα-helixtrans-60.9-50174.7175.70000111.3H497 L500 I501 K519 L520 S525 G526 L527 V564H497-V523 HydrophobicContact CB-CG1 4.38Å; L500-V523 HydrophobicContact CB-CG2 3.47Å; L500-V523 VanDerWaalsContact CB-CG2 3.47Å; L500-V523 HydrophobicContact CD1-CG2 3.89Å; L500-V523 HydrophobicContact CG-CG2 4.36Å; I501-V523 HydrophobicContact CD1-CG1 4.12Å; I501-V523 HydrophobicContact CG1-CB 4.46Å; I501-V523 HydrophobicContact CG1-CG1 3.95Å; I501-V523 HydrophobicContact CG1-CG2 3.87Å; K519-V523 WeakPolarHBondContact O-CG2 3.42Å; K519-V523 PolarHBondContact O-N 2.93Å; K519-V523 VanDerWaalsContact O-N 3.15Å; L520-V523 WeakPolarHBondContact O-CB 3.28Å; L520-V523 PolarHBondContact O-N 2.85Å; V523-S525 PolarHBondContact O-N 3.32Å; V523-G526 PolarHBondContact O-N 2.65Å; V523-L527 HydrophobicContact CG1-CD1 4.21Å; V523-L527 HydrophobicContact CG1-CG 4.4Å; V523-L527 WeakPolarHBondContact O-CG 3.5Å; V523-L527 PolarHBondContact O-N 3.33Å; V523-V564 HydrophobicContact CG1-CG1 3.89Å
524V90.1Very high80.8Confident0 Ų059.1 Ų59.10%032%0.315CS..Hα-helixtrans-60.3-33.8-177.5173.40000111.6L520 G526 L527 L565 C568 H699 C702 I703L520-V524 VanDerWaalsContact O-CG2 3.28Å; L520-V524 WeakPolarHBondContact O-CG2 3.36Å; L520-V524 PolarHBondContact O-N 2.83Å; V524-G526 PolarHBondContact O-N 3.15Å; V524-L527 PolarHBondContact O-N 3.21Å; V524-L527 VanDerWaalsContact O-N 3.08Å; V524-L565 HydrophobicContact CG1-CD1 4.17Å; V524-L565 HydrophobicContact CG2-CD1 4.12Å; V524-C568 HydrophobicContact CG2-CB 3.81Å; V524-H699 PolarHBondContact O-NE2 3.24Å; V524-C702 HydrophobicContact CG1-CB 3.74Å; V524-I703 HydrophobicContact CG1-CD1 4.17Å
525S87.6Confident77.6Confident73 Ų7358.5 Ų58.551%0.5133%0.325SS..Hα-helixtrans-61.9-26.2175.277.10000114.5L521 D522 V523 I703L521-S525 WeakPolarHBondContact O-CB 3.46Å; L521-S525 PolarHBondContact O-N 2.63Å; D522-S525 PolarHBondContact O-N 3.39Å; D522-S525 PolarHBondContact O-OG 3.44Å; V523-S525 PolarHBondContact O-N 3.32Å; S525-I703 VanDerWaalsContact CA-CD1 3.49Å
526G83Confident74.5Confident43 Ų4364.6 Ų64.644%0.44335%0.349SS..THydrogen-bonded Turntrans-92.5-5.4175.200000114.4V523 V524V523-G526 PolarHBondContact O-N 2.65Å; V524-G526 PolarHBondContact O-N 3.15Å
527L84.2Confident71.2Confident14 Ų1468.5 Ų68.57%0.07338%0.381CS..PPolyproline II helixtrans-91141.2-178.3-65.4177.8000112V523 V524 V564 L565 H699V523-L527 HydrophobicContact CG1-CD1 4.21Å; V523-L527 HydrophobicContact CG1-CG 4.4Å; V523-L527 WeakPolarHBondContact O-CG 3.5Å; V523-L527 PolarHBondContact O-N 3.33Å; V524-L527 PolarHBondContact O-N 3.21Å; V524-L527 VanDerWaalsContact O-N 3.08Å; L527-V564 HydrophobicContact CD1-CB 4.38Å; L527-V564 HydrophobicContact CD1-CG1 3.82Å; L527-L565 HydrophobicContact CD1-CB 4.08Å; L527-H699 PolarHBondContact O-NE2 3.11Å
528V79.4Confident68Low114 Ų11473.8 Ų73.869%0.69142%0.416SS*.PPolyproline II helixtrans-95.4124.4166.4-177.10000108.6
529P75.1Confident65Low25 Ų2580.3 Ų80.316%0.16245%0.446CS..PPolyproline II helixtrans-59.1136.6175.9-22.132.2000110.9N531 H699P529-N531 PolarHBondContact O-N 3.09Å; P529-H699 HydrophobicContact CG-CB 3.76Å
530P73.5Confident62Low41 Ų4185.1 Ų85.127%0.26647%0.474SS..PPolyproline II helixtrans-64.5133.2175.626.2-32.1000110.4Q532 N693 L695P530-Q532 PolarHBondContact O-N 3.46Å; P530-N693 PolarHBondContact O-ND2 3.07Å; P530-N693 VanDerWaalsContact O-ND2 3.07Å; P530-L695 HydrophobicContact CG-CD1 3.63Å
531N63.2Low59Low149 Ų14991.8 Ų91.880%0.79751%0.514SS*.PPolyproline II helixtrans-65.1130.1166.5-79.9-19.9000108.3P529 E533P529-N531 PolarHBondContact O-N 3.09Å; N531-E533 PolarHBondContact O-N 3.16Å
532Q50Low55.9Low125 Ų12595.2 Ų95.258%0.58454%0.538SS*.  trans-64.195.2172.9-86.2178.9-13.300109.2P530P530-Q532 PolarHBondContact O-N 3.46Å
533E34.2Very low53.2Low169 Ų169104.8 Ų104.879%0.7957%0.571SS**  trans-79.1119.1148.8-75.5-174.7170.800106.7N531 T535N531-E533 PolarHBondContact O-N 3.16Å; E533-T535 PolarHBondContact O-N 3.19Å
534L37.8Very low50.2Low163 Ų163111.3 Ų111.385%0.85360%0.604SS**  trans-6475.5167.8-87.194.2000109.4
535T27.9Very low47.4Very low102 Ų102121 Ų12163%0.62665%0.646SS**  trans-85.4107.2148.913.10000105.5E533 A537E533-T535 PolarHBondContact O-N 3.19Å; T535-A537 PolarHBondContact O-N 3.46Å
536K29.5Very low44.6Very low196 Ų196121.5 Ų121.585%0.85265%0.65SS**  trans-45.2112.2163-70.3-179.7176-177.10106.5
537A26.4Very low42.2Very low81 Ų81128.8 Ų128.867%0.66967%0.669SS**  trans-53.9132.2163.300000105.5T535 E539T535-A537 PolarHBondContact O-N 3.46Å; A537-E539 PolarHBondContact O-N 3.36Å
538P28.9Very low39.9Very low111 Ų111132.9 Ų132.972%0.72170%0.695SS**  trans-56.9121.4171.424.8-29.5000106D540P538-D540 PolarHBondContact O-N 2.95Å
539E30.4Very low38.1Very low192 Ų192135.2 Ų135.290%0.89769%0.692SS**SBendtrans-6174.7161.7-71.7-174.3147.100107.4A537A537-E539 PolarHBondContact O-N 3.36Å
540D32Very low36.6Very low140 Ų140141.1 Ų141.175%0.74971%0.714SS**  trans-172.381.3167-104-27.5000109.5P538P538-D540 PolarHBondContact O-N 2.95Å
541V31.9Very low35.7Very low139 Ų139141.8 Ų141.884%0.84273%0.729SS**  trans-119.384.5142.4-175.10000106.4R543V541-R543 PolarHBondContact O-N 2.77Å
542S27.3Very low35.8Very low73 Ų73139 Ų13951%0.5171%0.714SS.*  trans5115.6147.356.90000114.4I544S542-I544 PolarHBondContact O-N 3.29Å
543R35.3Very low37.6Very low250 Ų250134.6 Ų134.694%0.94370%0.695SS**  trans-47.785.1155.5-68.6172.7176.6173-0.8110.2V541V541-R543 PolarHBondContact O-N 2.77Å
544I27.1Very low40.4Very low137 Ų137126.6 Ų126.670%0.70366%0.657SS**  trans-99.993.7158.4-57.4177.9000105S542 S546S542-I544 PolarHBondContact O-N 3.29Å; I544-S546 PolarHBondContact O-N 2.87Å
545K31.1Very low43Very low203 Ų203122.1 Ų122.188%0.88363%0.629SS**  trans-65.576.5162.8-75.1-176.3175.9-179.70108.1K547K545-K547 PolarHBondContact O-N 3.27Å
546S29Very low46Very low85 Ų85117.5 Ų117.559%0.59460%0.6SS**  trans-66.1122.2154.6172.70000105.8I544 T548I544-S546 PolarHBondContact O-N 2.87Å; S546-T548 PolarHBondContact O-N 3.26Å
547K32.5Very low48.9Very low195 Ų195109 Ų10985%0.84856%0.564SS**  trans-62.492.7169.3-75.2-179.4175.6178.90107.3K545 R549K545-K547 PolarHBondContact O-N 3.27Å; K547-R549 PolarHBondContact O-N 3.47Å
548T34.7Very low51.9Low100 Ų100106.1 Ų106.161%0.61354%0.538SS*.  trans-59.2117.316938.20000107.6S546S546-T548 PolarHBondContact O-N 3.26Å
549R43.1Very low54.7Low164 Ų164101 Ų10162%0.61951%0.505SS*.  trans-85.8149.1175-73.1179.9177.7167.11.9108K547 G551K547-R549 PolarHBondContact O-N 3.47Å; R549-G551 PolarHBondContact O-N 3Å; R549-G551 VanDerWaalsContact O-N 3.13Å
550K43.6Very low57.2Low148 Ų14894.6 Ų94.664%0.64348%0.48SS*.SBendtrans-48.5112.4-172.9-71.3-172.7167.5-1660113.1E360 D362 N552E360-K550 WeakPolarHBondContact OE2-CE 3.45Å; E360-K550 IonicContact OE2-NZ 3.63Å; E360-K550 PolarHBondContact OE2-NZ 3Å; D362-K550 IonicContact OD2-NZ 2.79Å; D362-K550 PolarHBondContact OD2-NZ 3.35Å; K550-N552 PolarHBondContact O-N 3.27Å
551G53.8Low59.5Low55 Ų5590.3 Ų90.357%0.56746%0.461SS*.SBend70.218.2129.200000121.3R549R549-G551 PolarHBondContact O-N 3Å; R549-G551 VanDerWaalsContact O-N 3.13Å
552N66Low61.9Low90 Ų9092.7 Ų92.748%0.48145%0.454SS..  trans-141.512.2180-75.3-47000114.1R397 K550R397-N552 WeakPolarHBondContact CB-O 3.38Å; R397-N552 VanDerWaalsContact CD-O 3.3Å; R397-N552 WeakPolarHBondContact CD-O 3.46Å; R397-N552 VanDerWaalsContact CG-O 3.22Å; R397-N552 WeakPolarHBondContact CG-O 3.41Å; K550-N552 PolarHBondContact O-N 3.27Å
553D86.7Confident64.7Low34 Ų3490.2 Ų90.218%0.18244%0.438CS..  trans-84.5152.8178.8-71.9-28.5000110.2D351 H398 L400D351-D553 HydrophobicContact CB-CB 4.35Å; D351-D553 WeakPolarHBondContact CB-O 3.26Å; D351-D553 PolarHBondContact N-O 3.31Å; H398-D553 WeakPolarHBondContact CB-OD1 2.93Å; H398-D553 IonicContact CD2-OD1 3.96Å; H398-D553 IonicContact CG-OD1 3.93Å; H398-D553 PolarHBondContact N-OD1 3.05Å; L400-D553 HydrophobicContact CD1-CB 4.32Å
554L92.9Very high67.3Low0 Ų078.5 Ų78.50%039%0.394CS..EExtended strand (participates in β ladder)trans-107.9160.3178.3-61.5178.1000109.9L348 V349 E350 H398 I399 L400 I460 H461L348-L554 HydrophobicContact CD1-CB 3.78Å; L348-L554 HydrophobicContact CD1-CD1 4.08Å; L348-L554 HydrophobicContact CD2-CD1 3.95Å; L348-L554 HydrophobicContact CG-CB 4.43Å; L348-L554 HydrophobicContact CG-CD1 4.08Å; V349-L554 CarbonylContact O-C 3.4Å; V349-L554 VanDerWaalsContact O-CA 3.3Å; V349-L554 WeakPolarHBondContact O-CA 3.32Å; E350-L554 WeakPolarHBondContact OE1-CD2 3.41Å; H398-L554 PolarHBondContact O-N 2.92Å; I399-L554 CarbonylContact C-O 3.5Å; I399-L554 WeakPolarHBondContact CA-O 3.12Å; I399-L554 HydrophobicContact CG1-CB 4.4Å; L400-L554 PolarHBondContact N-O 3.28Å; I460-L554 HydrophobicContact CG2-CD1 4.03Å; I460-L554 HydrophobicContact CG2-CD2 4.24Å; H461-L554 HydrophobicContact CB-CD1 4.19Å
555R92.1Very high70.3Confident70 Ų7072 Ų7226%0.26436%0.361SS..EExtended strand (participates in β ladder)trans-128.1139.5175.4-172.4-175.2-65.9-171.3-1110.2V349 D351 L400V349-R555 HydrophobicContact CG2-CB 4.47Å; V349-R555 WeakPolarHBondContact CG2-O 3.35Å; V349-R555 PolarHBondContact N-O 3.49Å; V349-R555 PolarHBondContact O-N 2.99Å; D351-R555 HydrophobicContact CB-CB 4.48Å; D351-R555 IonicContact OD1-CZ 3.7Å; D351-R555 IonicContact OD1-NE 2.89Å; D351-R555 PolarHBondContact OD1-NE 2.95Å; D351-R555 IonicContact OD1-NH2 3.58Å; D351-R555 PolarHBondContact OD1-NH2 3.25Å; L400-R555 WeakPolarHBondContact O-CA 3.32Å
556L92.3Very high73.2Confident4 Ų463.6 Ų63.62%0.02133%0.327CS..EExtended strand (participates in β ladder)trans-90.5117.6164.9-126.3102.5000108.4V330 W346 I347 L348 I399 L400 V401 M406 W409V330-L556 HydrophobicContact CG2-CD2 3.9Å; W346-L556 HydrophobicContact CB-CD2 3.51Å; W346-L556 HydrophobicContact CB-CG 4.27Å; W346-L556 HydrophobicContact CD2-CD2 4.16Å; W346-L556 HydrophobicContact CE3-CB 4.31Å; W346-L556 HydrophobicContact CE3-CD2 4.06Å; W346-L556 HydrophobicContact CG-CD2 3.97Å; I347-L556 WeakPolarHBondContact O-CA 3.39Å; L348-L556 HydrophobicContact CB-CD1 4.48Å; L348-L556 HydrophobicContact CD1-CD1 3.87Å; I399-L556 HydrophobicContact CG2-CB 4.41Å; I399-L556 HydrophobicContact CG2-CD1 3.76Å; L400-L556 PolarHBondContact O-N 3.2Å; V401-L556 HydrophobicContact CG2-CB 3.44Å; V401-L556 VanDerWaalsContact CG2-CB 3.44Å; V401-L556 HydrophobicContact CG2-CG 4.47Å; M406-L556 HydrophobicContact SD-CD2 4.32Å; W409-L556 HydrophobicContact CH2-CD1 3.92Å; W409-L556 HydrophobicContact CZ3-CD1 4.03Å; W409-L556 HydrophobicContact CZ3-CD2 4.22Å
557L90.9Very high76.2Confident17 Ų1759.9 Ų59.99%0.08930%0.3CS..EExtended strand (participates in β ladder)trans-110.2135.5-176.2-175.574.9000110.3W346 I347 V349 C559 A563 F567W346-L557 CarbonylContact C-O 3.46Å; W346-L557 VanDerWaalsContact CA-O 3.31Å; W346-L557 WeakPolarHBondContact CA-O 3.46Å; I347-L557 HydrophobicContact CD1-CD2 4.25Å; I347-L557 HydrophobicContact CG1-CB 3.94Å; I347-L557 HydrophobicContact CG1-CD2 4.42Å; I347-L557 WeakPolarHBondContact CG1-O 3.3Å; I347-L557 PolarHBondContact N-O 2.92Å; I347-L557 PolarHBondContact O-N 3.17Å; V349-L557 HydrophobicContact CG2-CB 4.17Å; L557-C559 PolarHBondContact O-N 3.36Å; L557-A563 HydrophobicContact CD1-CB 4.03Å; L557-A563 HydrophobicContact CG-CB 4.24Å; L557-F567 HydrophobicContact CD2-CB 3.58Å; L557-F567 HydrophobicContact CD2-CD1 4.29Å; L557-F567 HydrophobicContact CD2-CD2 4.16Å; L557-F567 HydrophobicContact CD2-CG 3.74Å
558P89.3Confident79.2Confident21 Ų2150.6 Ų50.614%0.13626%0.26CS..EExtended strand (participates in β ladder)trans-62.3129.7169.3-16.327.4000110.7W346 E405 T560 A563W346-P558 HydrophobicContact CE3-CB 4.44Å; W346-P558 HydrophobicContact CE3-CG 3.96Å; W346-P558 HydrophobicContact CH2-CG 3.68Å; W346-P558 HydrophobicContact CZ2-CG 4.28Å; W346-P558 HydrophobicContact CZ3-CB 4.4Å; W346-P558 VanDerWaalsContact CZ3-CD 3.48Å; W346-P558 HydrophobicContact CZ3-CG 3.5Å; W346-P558 VanDerWaalsContact CZ3-CG 3.5Å; E405-P558 WeakPolarHBondContact OE2-CG 3.38Å; P558-T560 HydrophobicContact CB-CG2 4.29Å; P558-T560 PolarHBondContact O-N 3.44Å; P558-A563 HydrophobicContact CB-CB 4.32Å; P558-A563 HydrophobicContact CG-CB 4.49Å; P558-A563 VanDerWaalsContact O-CB 3.25Å; P558-A563 WeakPolarHBondContact O-CB 3.46Å
559C86.1Confident82Confident4 Ų445.9 Ų45.93%0.02723%0.231CC..  trans-80.970175.4-166.40000110P345 I347 L557P345-C559 HydrophobicContact CB-CB 4.37Å; P345-C559 HydrophobicContact CG-CB 3.96Å; P345-C559 WeakPolarHBondContact O-CA 3.08Å; P345-C559 WeakPolarHBondContact O-CB 3.48Å; P345-C559 PolarHBondContact O-N 2.96Å; I347-C559 HydrophobicContact CG2-CB 4.1Å; L557-C559 PolarHBondContact O-N 3.36Å
560T84.2Confident84.5Confident58 Ų5839.4 Ų39.436%0.35621%0.208SC..SBendtrans-125.5150.7174.866.80000109P558 R562 A563 V564P558-T560 HydrophobicContact CB-CG2 4.29Å; P558-T560 PolarHBondContact O-N 3.44Å; T560-R562 PolarHBondContact O-N 2.64Å; T560-R562 VanDerWaalsContact O-N 3.09Å; T560-A563 PolarHBondContact O-N 3.45Å; T560-A563 PolarHBondContact OG1-N 3.21Å; T560-V564 WeakPolarHBondContact O-CB 3.48Å; T560-V564 VanDerWaalsContact O-CG2 3.31Å; T560-V564 WeakPolarHBondContact O-CG2 3.36Å; T560-V564 PolarHBondContact O-N 3.44Å
561S78.9Confident86.9Confident50 Ų5032.4 Ų32.435%0.3518%0.177SC..Hα-helixtrans-54.8-33.6178-49.90000112.7A563 L565S561-A563 VanDerWaalsContact C-N 3.34Å; S561-A563 PolarHBondContact O-N 2.94Å; S561-L565 WeakPolarHBondContact O-CB 3.25Å; S561-L565 PolarHBondContact O-N 3.34Å
562R83Confident88.9Confident188 Ų18829.8 Ų29.871%0.70915%0.15SC*.Hα-helixtrans-64.4-34.2177.6-174.9176.1-177.9145.62.5113.1T560 P566T560-R562 PolarHBondContact O-N 2.64Å; T560-R562 VanDerWaalsContact O-N 3.09Å; R562-P566 WeakPolarHBondContact O-CD 3.34Å; R562-P566 WeakPolarHBondContact O-CG 3.27Å
563A87.1Confident90.3Very high21 Ų2125.5 Ų25.517%0.17413%0.128CC..Hα-helixtrans-97.1-34.8-17800000112.6L557 P558 T560 S561 F567L557-A563 HydrophobicContact CD1-CB 4.03Å; L557-A563 HydrophobicContact CG-CB 4.24Å; P558-A563 HydrophobicContact CB-CB 4.32Å; P558-A563 HydrophobicContact CG-CB 4.49Å; P558-A563 VanDerWaalsContact O-CB 3.25Å; P558-A563 WeakPolarHBondContact O-CB 3.46Å; T560-A563 PolarHBondContact O-N 3.45Å; T560-A563 PolarHBondContact OG1-N 3.21Å; S561-A563 VanDerWaalsContact C-N 3.34Å; S561-A563 PolarHBondContact O-N 2.94Å; A563-F567 PolarHBondContact O-N 3.39Å
564V89.5Confident90.5Very high4 Ų424.3 Ų24.32%0.02412%0.122CC..Hα-helixtrans-71.5-45.2-177171.80000111.9I501 V523 L527 T560 F567 C568I501-V564 HydrophobicContact CD1-CB 4.36Å; I501-V564 HydrophobicContact CD1-CG1 3.49Å; I501-V564 VanDerWaalsContact CD1-CG1 3.49Å; I501-V564 HydrophobicContact CD1-CG2 3.87Å; I501-V564 HydrophobicContact CG1-CG1 4.22Å; V523-V564 HydrophobicContact CG1-CG1 3.89Å; L527-V564 HydrophobicContact CD1-CB 4.38Å; L527-V564 HydrophobicContact CD1-CG1 3.82Å; T560-V564 WeakPolarHBondContact O-CB 3.48Å; T560-V564 VanDerWaalsContact O-CG2 3.31Å; T560-V564 WeakPolarHBondContact O-CG2 3.36Å; T560-V564 PolarHBondContact O-N 3.44Å; V564-F567 WeakPolarHBondContact O-CB 3.16Å; V564-F567 PolarHBondContact O-N 2.81Å; V564-C568 PolarHBondContact O-N 3.36Å; V564-C568 PolarHBondContact O-SG 2.8Å
565L90.2Very high90.6Very high1 Ų124.3 Ų24.31%0.00512%0.122CC..Hα-helixtrans-60.8-48.2-178.4178.563000112.1V524 L527 S561 F567 C568 L569 L695V524-L565 HydrophobicContact CG1-CD1 4.17Å; V524-L565 HydrophobicContact CG2-CD1 4.12Å; L527-L565 HydrophobicContact CD1-CB 4.08Å; S561-L565 WeakPolarHBondContact O-CB 3.25Å; S561-L565 PolarHBondContact O-N 3.34Å; L565-F567 VanDerWaalsContact C-N 3.32Å; L565-F567 PolarHBondContact O-N 2.84Å; L565-C568 PolarHBondContact O-N 2.89Å; L565-L569 HydrophobicContact CD1-CD1 4.44Å; L565-L569 HydrophobicContact CD1-CG 4.39Å; L565-L569 HydrophobicContact CG-CD1 4.3Å; L565-L569 WeakPolarHBondContact O-CG 3.46Å; L565-L569 PolarHBondContact O-N 2.85Å; L565-L695 HydrophobicContact CD2-CB 4.25Å; L565-L695 HydrophobicContact CD2-CD2 4.14Å; L565-L695 HydrophobicContact CG-CD2 4.45Å
566P91.6Very high90.5Very high26 Ų2621 Ų2117%0.16911%0.11CC..Hα-helixtrans-52.3-47170.7-33.740.6000114.2R562 C568 L569 Q570 H599R562-P566 WeakPolarHBondContact O-CD 3.34Å; R562-P566 WeakPolarHBondContact O-CG 3.27Å; P566-C568 PolarHBondContact O-N 2.92Å; P566-L569 PolarHBondContact O-N 2.85Å; P566-Q570 WeakPolarHBondContact O-CG 3.45Å; P566-Q570 PolarHBondContact O-N 3.34Å; P566-H599 VanDerWaalsContact CA-NE2 3.26Å; P566-H599 WeakPolarHBondContact CA-NE2 3.36Å; P566-H599 WeakPolarHBondContact CB-NE2 3.41Å
567F92.8Very high90.4Very high7 Ų721.9 Ų21.93%0.03111%0.113CC..Hα-helixtrans-60.5-44.3178.2174.2-94.7000112V349 L352 I501 L557 A563 V564 L565 L569 Q570 L571V349-F567 HydrophobicContact CB-CE1 4.4Å; V349-F567 HydrophobicContact CB-CE2 3.84Å; V349-F567 HydrophobicContact CB-CZ 3.6Å; V349-F567 HydrophobicContact CG1-CE1 4.18Å; V349-F567 HydrophobicContact CG1-CE2 4.45Å; V349-F567 HydrophobicContact CG1-CZ 3.87Å; V349-F567 HydrophobicContact CG2-CD2 4.16Å; V349-F567 HydrophobicContact CG2-CE2 3.54Å; V349-F567 HydrophobicContact CG2-CZ 3.82Å; L352-F567 HydrophobicContact CD1-CD2 3.85Å; L352-F567 HydrophobicContact CD1-CE2 3.61Å; L352-F567 HydrophobicContact CD1-CZ 4.31Å; L352-F567 HydrophobicContact CG-CE2 4.16Å; I501-F567 HydrophobicContact CG2-CD1 3.89Å; I501-F567 HydrophobicContact CG2-CE1 3.58Å; L557-F567 HydrophobicContact CD2-CB 3.58Å; L557-F567 HydrophobicContact CD2-CD1 4.29Å; L557-F567 HydrophobicContact CD2-CD2 4.16Å; L557-F567 HydrophobicContact CD2-CG 3.74Å; A563-F567 PolarHBondContact O-N 3.39Å; V564-F567 WeakPolarHBondContact O-CB 3.16Å; V564-F567 PolarHBondContact O-N 2.81Å; L565-F567 VanDerWaalsContact C-N 3.32Å; L565-F567 PolarHBondContact O-N 2.84Å; F567-L569 VanDerWaalsContact C-N 3.33Å; F567-L569 PolarHBondContact O-N 3.33Å; F567-Q570 PolarHBondContact O-N 3.18Å; F567-L571 HydrophobicContact CE1-CD2 3.95Å; F567-L571 HydrophobicContact CZ-CD2 3.98Å; F567-L571 WeakPolarHBondContact O-CB 3.28Å; F567-L571 PolarHBondContact O-N 3.5Å
568C94.1Very high90Very high0 Ų024.8 Ų24.80%013%0.129CC..Hα-helixtrans-58.6-44.9176.5-66.30000111.5L520 V524 V564 L565 P566 L571 M572L520-C568 HydrophobicContact CD2-CB 4.13Å; V524-C568 HydrophobicContact CG2-CB 3.81Å; V564-C568 PolarHBondContact O-N 3.36Å; V564-C568 PolarHBondContact O-SG 2.8Å; L565-C568 PolarHBondContact O-N 2.89Å; P566-C568 PolarHBondContact O-N 2.92Å; C568-L571 PolarHBondContact O-N 3.27Å; C568-M572 WeakPolarHBondContact O-CB 3.32Å; C568-M572 VanDerWaalsContact O-CG 3.25Å; C568-M572 WeakPolarHBondContact O-CG 3.36Å; C568-M572 PolarHBondContact O-N 3.09Å
569L94.8Very high89.7Confident2 Ų227 Ų271%0.0113%0.134CC..Hα-helixtrans-64.6-43.4178.9-65.1170.3000111.8L565 P566 F567 M572 L573 L596 H599 L695 L698L565-L569 HydrophobicContact CD1-CD1 4.44Å; L565-L569 HydrophobicContact CD1-CG 4.39Å; L565-L569 HydrophobicContact CG-CD1 4.3Å; L565-L569 WeakPolarHBondContact O-CG 3.46Å; L565-L569 PolarHBondContact O-N 2.85Å; P566-L569 PolarHBondContact O-N 2.85Å; F567-L569 VanDerWaalsContact C-N 3.33Å; F567-L569 PolarHBondContact O-N 3.33Å; L569-M572 PolarHBondContact O-N 2.97Å; L569-L573 WeakPolarHBondContact O-CB 3.48Å; L569-L573 PolarHBondContact O-N 3.12Å; L569-L596 HydrophobicContact CD2-CD2 3.86Å; L569-H599 HydrophobicContact CD1-CB 4.41Å; L569-L695 HydrophobicContact CD1-CD2 4.1Å; L569-L698 HydrophobicContact CD1-CB 4.09Å; L569-L698 HydrophobicContact CD1-CD1 3.81Å; L569-L698 HydrophobicContact CD2-CB 4.03Å
570Q94.3Very high89.8Confident28 Ų2826.8 Ų26.813%0.13113%0.133CC..Hα-helixtrans-63.5-41.5175.6-72.2175.6-9.900112L352 P566 F567 L573 A574 D600L352-Q570 HydrophobicContact CB-CB 4.46Å; L352-Q570 HydrophobicContact CD1-CB 3.75Å; P566-Q570 WeakPolarHBondContact O-CG 3.45Å; P566-Q570 PolarHBondContact O-N 3.34Å; F567-Q570 PolarHBondContact O-N 3.18Å; Q570-L573 WeakPolarHBondContact O-CB 3.26Å; Q570-L573 PolarHBondContact O-N 3.4Å; Q570-A574 WeakPolarHBondContact O-CB 3.05Å; Q570-A574 PolarHBondContact O-N 2.76Å; Q570-D600 PolarHBondContact NE2-OD2 2.87Å
571L94.8Very high89.9Confident0 Ų026 Ų260%013%0.125CC..Hα-helixtrans-69.3-39.9179.4-168.859.8000111.1L352 A504 Y508 L520 F567 C568 L573 A574 C575L352-L571 HydrophobicContact CD1-CB 3.78Å; L352-L571 HydrophobicContact CD1-CD1 4Å; L352-L571 HydrophobicContact CD1-CG 4.49Å; L352-L571 HydrophobicContact CD2-CD1 3.81Å; L352-L571 HydrophobicContact CG-CD1 4.48Å; A504-L571 HydrophobicContact CB-CD2 4.18Å; Y508-L571 HydrophobicContact CD1-CD1 3.64Å; Y508-L571 HydrophobicContact CD2-CD1 3.82Å; Y508-L571 HydrophobicContact CE1-CD1 4.2Å; Y508-L571 HydrophobicContact CE2-CD1 4.38Å; Y508-L571 HydrophobicContact CG-CD1 3.43Å; Y508-L571 VanDerWaalsContact CG-CD1 3.43Å; Y508-L571 HydrophobicContact CG-CG 4.45Å; L520-L571 HydrophobicContact CD1-CB 3.79Å; L520-L571 HydrophobicContact CD1-CD2 3.85Å; L520-L571 HydrophobicContact CD1-CG 3.88Å; L520-L571 HydrophobicContact CD2-CD2 4.1Å; L520-L571 HydrophobicContact CG-CD2 4.36Å; F567-L571 HydrophobicContact CE1-CD2 3.95Å; F567-L571 HydrophobicContact CZ-CD2 3.98Å; F567-L571 WeakPolarHBondContact O-CB 3.28Å; F567-L571 PolarHBondContact O-N 3.5Å; C568-L571 PolarHBondContact O-N 3.27Å; L571-L573 VanDerWaalsContact C-N 3.35Å; L571-L573 PolarHBondContact O-N 2.69Å; L571-A574 WeakPolarHBondContact O-CB 3.46Å; L571-A574 PolarHBondContact O-N 2.97Å; L571-C575 PolarHBondContact O-N 3.2Å; L571-C575 PolarHBondContact O-SG 3.41Å; L571-C575 VanDerWaalsContact O-SG 3.33Å
572M95.3Very high90Very high0 Ų027.3 Ų27.30%013%0.131CC..Hα-helixtrans-60.3-44.1171.5-73.5177.961.200111.5L520 L521 C568 L569 A574 C575 F576 L596 I709L520-M572 HydrophobicContact CD1-CG 3.7Å; L521-M572 HydrophobicContact CD2-CE 4.12Å; L521-M572 HydrophobicContact CD2-SD 4.2Å; C568-M572 WeakPolarHBondContact O-CB 3.32Å; C568-M572 VanDerWaalsContact O-CG 3.25Å; C568-M572 WeakPolarHBondContact O-CG 3.36Å; C568-M572 PolarHBondContact O-N 3.09Å; L569-M572 PolarHBondContact O-N 2.97Å; M572-A574 VanDerWaalsContact C-N 3.27Å; M572-A574 PolarHBondContact O-N 3.21Å; M572-C575 WeakPolarHBondContact O-CB 3.42Å; M572-C575 PolarHBondContact O-N 3.3Å; M572-F576 VanDerWaalsContact O-CD2 3.28Å; M572-F576 WeakPolarHBondContact O-CD2 3.39Å; M572-F576 PolarHBondContact O-N 2.93Å; M572-L596 HydrophobicContact CB-CD1 4.04Å; M572-L596 HydrophobicContact CB-CD2 4.45Å; M572-I709 HydrophobicContact CE-CD1 4.04Å; M572-I709 HydrophobicContact CE-CG2 3.81Å
573L94.9Very high89.6Confident1 Ų122.2 Ų22.21%0.00512%0.118CC..Hα-helixtrans-58-44.3174.6174.662.7000110.4V355 Y356 L569 Q570 L571 C575 F576 K577 V593 L596 L597V355-L573 HydrophobicContact CG2-CB 4.4Å; V355-L573 HydrophobicContact CG2-CD2 4.05Å; V355-L573 HydrophobicContact CG2-CG 4.06Å; Y356-L573 HydrophobicContact CD1-CD2 4.13Å; Y356-L573 HydrophobicContact CE1-CD2 3.42Å; Y356-L573 VanDerWaalsContact CE1-CD2 3.42Å; L569-L573 WeakPolarHBondContact O-CB 3.48Å; L569-L573 PolarHBondContact O-N 3.12Å; Q570-L573 WeakPolarHBondContact O-CB 3.26Å; Q570-L573 PolarHBondContact O-N 3.4Å; L571-L573 VanDerWaalsContact C-N 3.35Å; L571-L573 PolarHBondContact O-N 2.69Å; L573-C575 VanDerWaalsContact C-N 3.34Å; L573-C575 PolarHBondContact O-N 3.44Å; L573-F576 PolarHBondContact O-N 2.82Å; L573-K577 VanDerWaalsContact O-CB 3.26Å; L573-K577 WeakPolarHBondContact O-CB 3.44Å; L573-K577 PolarHBondContact O-N 3.19Å; L573-V593 HydrophobicContact CD1-CB 4.35Å; L573-V593 HydrophobicContact CD1-CG1 3.91Å; L573-V593 HydrophobicContact CD1-CG2 4.21Å; L573-L596 HydrophobicContact CB-CB 4.21Å; L573-L596 HydrophobicContact CB-CD1 4.26Å; L573-L596 HydrophobicContact CD1-CB 4.24Å; L573-L597 HydrophobicContact CD1-CD2 4.33Å; L573-L597 HydrophobicContact CD1-CG 4.23Å; L573-L597 HydrophobicContact CD2-CD2 4.01Å
574A92.6Very high88.8Confident8 Ų826.8 Ų26.87%0.06615%0.148CC..Hα-helixtrans-61.5-39.8177.300000112.6L352 V355 Y508 Q570 L571 M572L352-A574 HydrophobicContact CD2-CB 4.37Å; V355-A574 HydrophobicContact CG2-CB 3.81Å; Y508-A574 HydrophobicContact CD2-CB 4.44Å; Y508-A574 HydrophobicContact CE2-CB 3.56Å; Q570-A574 WeakPolarHBondContact O-CB 3.05Å; Q570-A574 PolarHBondContact O-N 2.76Å; L571-A574 WeakPolarHBondContact O-CB 3.46Å; L571-A574 PolarHBondContact O-N 2.97Å; M572-A574 VanDerWaalsContact C-N 3.27Å; M572-A574 PolarHBondContact O-N 3.21Å
575C93.1Very high88.5Confident0 Ų033.7 Ų33.70%017%0.174CC..Hα-helixtrans-61-43.6174.4-71.50000112.4Y513 L571 M572 L573 L713Y513-C575 HydrophobicContact CD1-CB 4.18Å; Y513-C575 HydrophobicContact CG-CB 4.34Å; L571-C575 PolarHBondContact O-N 3.2Å; L571-C575 PolarHBondContact O-SG 3.41Å; L571-C575 VanDerWaalsContact O-SG 3.33Å; M572-C575 WeakPolarHBondContact O-CB 3.42Å; M572-C575 PolarHBondContact O-N 3.3Å; L573-C575 VanDerWaalsContact C-N 3.34Å; L573-C575 PolarHBondContact O-N 3.44Å; C575-L713 HydrophobicContact CB-CD1 4.32Å; C575-L713 HydrophobicContact CB-CD2 4.42Å
576F91.8Very high88.3Confident0 Ų034.7 Ų34.70%018%0.179CC..Hα-helixtrans-79.6-29.5-179.2-79.5-70.8000113.9M572 L573 L578 R579 A580 H592 V593 L596 I709 S712 L713M572-F576 VanDerWaalsContact O-CD2 3.28Å; M572-F576 WeakPolarHBondContact O-CD2 3.39Å; M572-F576 PolarHBondContact O-N 2.93Å; L573-F576 PolarHBondContact O-N 2.82Å; F576-L578 PolarHBondContact O-N 3.14Å; F576-R579 PolarHBondContact O-N 3.28Å; F576-A580 VanDerWaalsContact O-CB 3.3Å; F576-A580 WeakPolarHBondContact O-CB 3.37Å; F576-A580 PolarHBondContact O-N 3.44Å; F576-H592 HydrophobicContact CD1-CB 4.48Å; F576-H592 HydrophobicContact CD2-CB 4.46Å; F576-H592 HydrophobicContact CE1-CB 4.5Å; F576-H592 AromaticContact CE1-CD2 3.98Å; F576-H592 HydrophobicContact CE2-CB 4.49Å; F576-H592 HydrophobicContact CG-CB 4.47Å; F576-V593 HydrophobicContact CB-CG2 3.7Å; F576-L596 HydrophobicContact CD2-CD1 4.14Å; F576-I709 HydrophobicContact CE2-CG2 3.89Å; F576-I709 HydrophobicContact CZ-CG2 3.9Å; F576-S712 WeakPolarHBondContact CE1-OG 3.3Å; F576-S712 VanDerWaalsContact CZ-OG 3.27Å; F576-S712 WeakPolarHBondContact CZ-OG 3.33Å; F576-L713 HydrophobicContact CD1-CD2 3.65Å; F576-L713 HydrophobicContact CD1-CG 4.21Å; F576-L713 HydrophobicContact CE1-CD1 4.15Å; F576-L713 HydrophobicContact CE1-CD2 3.54Å; F576-L713 HydrophobicContact CE1-CG 3.58Å; F576-L713 HydrophobicContact CE2-CD1 3.98Å; F576-L713 HydrophobicContact CE2-CD2 4.47Å; F576-L713 HydrophobicContact CE2-CG 4.32Å; F576-L713 HydrophobicContact CG-CD2 4.17Å; F576-L713 HydrophobicContact CZ-CD1 3.71Å; F576-L713 HydrophobicContact CZ-CD2 3.98Å; F576-L713 HydrophobicContact CZ-CG 3.63Å
577K88.5Confident88.3Confident23 Ų2334.1 Ų34.110%0.118%0.175CC..Hα-helixtrans-52.2-51-171.4-177-178.6-179.5-171.70112.4V355 S357 V359 L573 R579 F581 L607V355-K577 WeakPolarHBondContact O-CD 3.49Å; V355-K577 WeakPolarHBondContact O-CE 3.28Å; V355-K577 PolarHBondContact O-NZ 3.12Å; S357-K577 WeakPolarHBondContact O-CE 3.41Å; S357-K577 PolarHBondContact O-NZ 3.4Å; V359-K577 HydrophobicContact CG2-CD 4.31Å; V359-K577 HydrophobicContact CG2-CG 4.03Å; L573-K577 VanDerWaalsContact O-CB 3.26Å; L573-K577 WeakPolarHBondContact O-CB 3.44Å; L573-K577 PolarHBondContact O-N 3.19Å; K577-R579 PolarHBondContact O-N 3.36Å; K577-F581 HydrophobicContact CG-CD2 4.18Å; K577-F581 HydrophobicContact CG-CE2 4.39Å; K577-F581 WeakPolarHBondContact O-CD2 3.49Å; K577-F581 PolarHBondContact O-N 3.14Å; K577-L607 HydrophobicContact CD-CD2 4.1Å; K577-L607 HydrophobicContact CG-CD2 4.37Å
578L83.1Confident88.3Confident79 Ų7937 Ų3741%0.41419%0.19SC..Hα-helixtrans-60-52.5-177.3-174.165.4000110.8F576 A580 F581 T582F576-L578 PolarHBondContact O-N 3.14Å; L578-A580 PolarHBondContact O-N 2.83Å; L578-F581 PolarHBondContact O-N 2.89Å; L578-T582 HydrophobicContact CD1-CG2 3.75Å; L578-T582 HydrophobicContact CG-CG2 4.21Å; L578-T582 WeakPolarHBondContact O-CB 3.39Å; L578-T582 WeakPolarHBondContact O-CG2 3.44Å; L578-T582 PolarHBondContact O-N 3.39Å; L578-T582 PolarHBondContact O-OG1 3.11Å
579R83.6Confident88.3Confident66 Ų6637 Ų3725%0.24919%0.19CC..Hα-helixtrans-60.6-48.3-178.4-178.8172.1175156.3-4.9112.6F576 K577 F581 T582 D583 D586 S589 S712F576-R579 PolarHBondContact O-N 3.28Å; K577-R579 PolarHBondContact O-N 3.36Å; R579-F581 PolarHBondContact O-N 3.49Å; R579-F581 VanDerWaalsContact O-N 3.13Å; R579-T582 PolarHBondContact O-N 3.09Å; R579-D583 PolarHBondContact O-N 2.69Å; R579-D586 IonicContact CZ-OD2 3.95Å; R579-D586 IonicContact NE-OD2 3.39Å; R579-D586 PolarHBondContact NE-OD2 2.96Å; R579-D586 IonicContact NH2-OD2 3.88Å; R579-D586 PolarHBondContact NH2-OD2 3.02Å; R579-S589 PolarHBondContact NE-OG 3.34Å; R579-S712 PolarHBondContact NE-O 3.21Å; R579-S712 PolarHBondContact NH1-O 3.19Å; R579-S712 PolarHBondContact NH2-O 3.06Å
580A87.3Confident88.2Confident0 Ų037 Ų370%019%0.19CC..Hα-helixtrans-57.6-29.6-179.200000112.6F576 L578 L590 V593 K614F576-A580 VanDerWaalsContact O-CB 3.3Å; F576-A580 WeakPolarHBondContact O-CB 3.37Å; F576-A580 PolarHBondContact O-N 3.44Å; L578-A580 PolarHBondContact O-N 2.83Å; A580-L590 HydrophobicContact CB-CD1 4.23Å; A580-V593 HydrophobicContact CB-CB 4.44Å; A580-V593 HydrophobicContact CB-CG2 3.6Å; A580-K614 WeakPolarHBondContact O-CD 3.41Å; A580-K614 WeakPolarHBondContact O-CE 3.26Å; A580-K614 PolarHBondContact O-NZ 3.26Å
581F87.4Confident88.2Confident41 Ų4135.6 Ų35.618%0.1818%0.184CC..Hα-helixtrans-101.4-24.7-179.6-68.6-69.8000114.5V359 K577 L578 R579 L590 V593 L607 K610 A611 K614V359-F581 HydrophobicContact CG2-CB 4.49Å; V359-F581 HydrophobicContact CG2-CD2 4.22Å; K577-F581 HydrophobicContact CG-CD2 4.18Å; K577-F581 HydrophobicContact CG-CE2 4.39Å; K577-F581 WeakPolarHBondContact O-CD2 3.49Å; K577-F581 PolarHBondContact O-N 3.14Å; L578-F581 PolarHBondContact O-N 2.89Å; R579-F581 PolarHBondContact O-N 3.49Å; R579-F581 VanDerWaalsContact O-N 3.13Å; F581-L590 HydrophobicContact CE1-CD1 4.27Å; F581-L590 HydrophobicContact CZ-CD1 4.36Å; F581-V593 HydrophobicContact CE2-CG1 4.4Å; F581-L607 HydrophobicContact CD2-CD1 4.32Å; F581-L607 HydrophobicContact CE2-CD1 3.51Å; F581-L607 HydrophobicContact CE2-CG 4.18Å; F581-L607 HydrophobicContact CZ-CD1 3.76Å; F581-L607 HydrophobicContact CZ-CG 4.35Å; F581-K610 HydrophobicContact CE1-CB 3.99Å; F581-K610 HydrophobicContact CZ-CB 4.38Å; F581-A611 HydrophobicContact CE1-CB 4.26Å; F581-A611 HydrophobicContact CZ-CB 4.07Å; F581-K614 VanDerWaalsContact C-NZ 3.27Å; F581-K614 HydrophobicContact CD1-CD 4.19Å; F581-K614 PolarHBondContact O-NZ 3Å
582T81.3Confident88.2Confident79 Ų7935.6 Ų35.649%0.48518%0.184SC..Hα-helixtrans-89.1-33.6-178.457.20000115.3L578 R579L578-T582 HydrophobicContact CD1-CG2 3.75Å; L578-T582 HydrophobicContact CG-CG2 4.21Å; L578-T582 WeakPolarHBondContact O-CB 3.39Å; L578-T582 WeakPolarHBondContact O-CG2 3.44Å; L578-T582 PolarHBondContact O-N 3.39Å; L578-T582 PolarHBondContact O-OG1 3.11Å; R579-T582 PolarHBondContact O-N 3.09Å
583D74.1Confident88.2Confident80 Ų8035.6 Ų35.643%0.42818%0.184SC..SBendtrans-77145.5-178.2-89.6-28.9000112.2R579 R585 D586 K614R579-D583 PolarHBondContact O-N 2.69Å; D583-R585 VanDerWaalsContact C-N 3.33Å; D583-R585 PolarHBondContact O-N 3.33Å; D583-D586 HydrophobicContact CB-CB 4.26Å; D583-K614 PolarHBondContact O-NZ 3.18Å
584S70.8Confident88.2Confident117 Ų11735.7 Ų35.782%0.81818%0.184SC*.SBendtrans-65.5-33.1-17057.80000113.3
585R81.8Confident88.4Confident150 Ų15035.3 Ų35.357%0.56618%0.181SC*.SBendtrans-157.394.2172.6-168.3178.6176.5174.81.3112D583 D587 S620D583-R585 VanDerWaalsContact C-N 3.33Å; D583-R585 PolarHBondContact O-N 3.33Å; R585-D587 WeakPolarHBondContact CG-OD1 3.49Å; R585-D587 IonicContact NE-OD1 3.87Å; R585-D587 IonicContact NE-OD2 3.21Å; R585-D587 IonicContact NH2-OD2 3.96Å; R585-S620 PolarHBondContact NH2-OG 3.46Å
586D87.3Confident88.5Confident22 Ų2235.4 Ų35.412%0.11818%0.181CC..  trans-12978.7174.4-171.3-10.9000110.3R579 D583 L588 S589 L590R579-D586 IonicContact CZ-OD2 3.95Å; R579-D586 IonicContact NE-OD2 3.39Å; R579-D586 PolarHBondContact NE-OD2 2.96Å; R579-D586 IonicContact NH2-OD2 3.88Å; R579-D586 PolarHBondContact NH2-OD2 3.02Å; D583-D586 HydrophobicContact CB-CB 4.26Å; D586-L588 PolarHBondContact O-N 3.45Å; D586-L588 PolarHBondContact OD1-N 3.1Å; D586-S589 VanDerWaalsContact CG-CB 3.45Å; D586-S589 WeakPolarHBondContact OD1-CB 3.47Å; D586-S589 PolarHBondContact OD1-N 3.31Å; D586-S589 PolarHBondContact OD1-OG 3.47Å; D586-S589 WeakPolarHBondContact OD2-CB 3.32Å; D586-S589 PolarHBondContact OD2-OG 3.04Å; D586-L590 WeakPolarHBondContact O-CB 3.34Å; D586-L590 PolarHBondContact O-N 3.29Å; D586-L590 VanDerWaalsContact O-N 3.1Å
587D91.7Very high88.7Confident14 Ų1435.4 Ų35.48%0.07518%0.181CC..Hα-helixtrans-66.4-28.7-176.8-59.66.3000111.5R585 G591 F621 Q622R585-D587 WeakPolarHBondContact CG-OD1 3.49Å; R585-D587 IonicContact NE-OD1 3.87Å; R585-D587 IonicContact NE-OD2 3.21Å; R585-D587 IonicContact NH2-OD2 3.96Å; D587-G591 PolarHBondContact O-N 2.99Å; D587-F621 HydrophobicContact CB-CD2 3.97Å; D587-F621 HydrophobicContact CB-CE2 4.1Å; D587-F621 WeakPolarHBondContact O-CE2 3.32Å; D587-Q622 VanDerWaalsContact CB-O 3.28Å; D587-Q622 WeakPolarHBondContact CB-O 3.28Å; D587-Q622 PolarHBondContact OD2-N 3.4Å
588L92.4Very high88.9Confident68 Ų6834.3 Ų34.336%0.35618%0.177SC..Hα-helixtrans-67.2-51.9178.4-178.266.9000111.1D586 L590 G591 H592 Y623 I708D586-L588 PolarHBondContact O-N 3.45Å; D586-L588 PolarHBondContact OD1-N 3.1Å; L588-L590 VanDerWaalsContact C-N 3.29Å; L588-L590 PolarHBondContact O-N 3.41Å; L588-G591 PolarHBondContact O-N 3Å; L588-H592 PolarHBondContact O-CD2 3.12Å; L588-H592 VanDerWaalsContact O-CD2 3.29Å; L588-H592 PolarHBondContact O-N 2.66Å; L588-Y623 HydrophobicContact CD1-CD2 4.31Å; L588-Y623 HydrophobicContact CD1-CE2 4.04Å; L588-I708 HydrophobicContact CD1-CG2 4.16Å; L588-I708 HydrophobicContact CD2-CG2 4.1Å
589S92.7Very high89.3Confident0 Ų032 Ų320%016%0.164CC..Hα-helixtrans-61.3-40.6175.8-66.80000111.4R579 D586 H592 V593R579-S589 PolarHBondContact NE-OG 3.34Å; D586-S589 VanDerWaalsContact CG-CB 3.45Å; D586-S589 WeakPolarHBondContact OD1-CB 3.47Å; D586-S589 PolarHBondContact OD1-N 3.31Å; D586-S589 PolarHBondContact OD1-OG 3.47Å; D586-S589 WeakPolarHBondContact OD2-CB 3.32Å; D586-S589 PolarHBondContact OD2-OG 3.04Å; S589-H592 PolarHBondContact O-N 2.89Å; S589-V593 WeakPolarHBondContact O-CG2 3.38Å; S589-V593 PolarHBondContact O-N 3.46Å
590L93.3Very high89.5Confident0 Ų030.5 Ų30.50%016%0.161CC..Hα-helixtrans-65.4-39.2178.2-168.461.2000112A580 F581 D586 L588 V593 V594 A611 K614 I615 F621A580-L590 HydrophobicContact CB-CD1 4.23Å; F581-L590 HydrophobicContact CE1-CD1 4.27Å; F581-L590 HydrophobicContact CZ-CD1 4.36Å; D586-L590 WeakPolarHBondContact O-CB 3.34Å; D586-L590 PolarHBondContact O-N 3.29Å; D586-L590 VanDerWaalsContact O-N 3.1Å; L588-L590 VanDerWaalsContact C-N 3.29Å; L588-L590 PolarHBondContact O-N 3.41Å; L590-V593 WeakPolarHBondContact O-CB 3.41Å; L590-V593 PolarHBondContact O-N 3.35Å; L590-V594 WeakPolarHBondContact O-CG2 3.48Å; L590-V594 PolarHBondContact O-N 2.96Å; L590-A611 HydrophobicContact CD1-CB 3.69Å; L590-A611 HydrophobicContact CG-CB 4.41Å; L590-K614 HydrophobicContact CD2-CB 4.47Å; L590-K614 HydrophobicContact CD2-CD 4.32Å; L590-K614 HydrophobicContact CD2-CG 4.29Å; L590-I615 HydrophobicContact CD2-CD1 4.21Å; L590-I615 HydrophobicContact CD2-CG1 3.65Å; L590-F621 HydrophobicContact CB-CE2 4.2Å; L590-F621 HydrophobicContact CD2-CD2 4.43Å; L590-F621 HydrophobicContact CD2-CE2 4.26Å; L590-F621 HydrophobicContact CG-CE2 4.28Å
591G94.8Very high89.6Confident0 Ų033 Ų330%017%0.17CC..Hα-helixtrans-65.9-39.8173.200000113.4D587 L588 V593 V594 V595 Y623D587-G591 PolarHBondContact O-N 2.99Å; L588-G591 PolarHBondContact O-N 3Å; G591-V593 VanDerWaalsContact C-N 3.31Å; G591-V593 PolarHBondContact O-N 2.99Å; G591-V594 PolarHBondContact O-N 3.39Å; G591-V595 WeakPolarHBondContact O-CG2 3.02Å; G591-V595 PolarHBondContact O-N 3.42Å; G591-Y623 VanDerWaalsContact C-CZ 3.45Å
592H95.2Very high89.8Confident0 Ų034.9 Ų34.90%019%0.187CC..Hα-helixtrans-60.8-40171.5-67.4-40.5000112.1F576 L588 S589 V595 L596 Y623 F701F576-H592 HydrophobicContact CD1-CB 4.48Å; F576-H592 HydrophobicContact CD2-CB 4.46Å; F576-H592 HydrophobicContact CE1-CB 4.5Å; F576-H592 AromaticContact CE1-CD2 3.98Å; F576-H592 HydrophobicContact CE2-CB 4.49Å; F576-H592 HydrophobicContact CG-CB 4.47Å; L588-H592 PolarHBondContact O-CD2 3.12Å; L588-H592 VanDerWaalsContact O-CD2 3.29Å; L588-H592 PolarHBondContact O-N 2.66Å; S589-H592 PolarHBondContact O-N 2.89Å; H592-V595 PolarHBondContact O-N 2.75Å; H592-L596 VanDerWaalsContact O-CG 3.29Å; H592-L596 WeakPolarHBondContact O-CG 3.48Å; H592-L596 PolarHBondContact O-N 3.14Å; H592-Y623 AromaticContact ND1-CE2 3.91Å; H592-Y623 AromaticContact ND1-CZ 3.87Å; H592-Y623 PolarHBondContact ND1-OH 3.08Å; H592-F701 HydrophobicContact CB-CZ 4.33Å; H592-F701 AromaticContact CE1-CE2 3.96Å; H592-F701 AromaticContact ND1-CE2 3.48Å; H592-F701 WeakPolarHBondContact ND1-CE2 3.39Å; H592-F701 AromaticContact ND1-CZ 3.29Å; H592-F701 VanDerWaalsContact ND1-CZ 3.29Å; H592-F701 WeakPolarHBondContact ND1-CZ 3.42Å
593V94.7Very high90.1Very high0 Ų037.5 Ų37.50%019%0.193CC..Hα-helixtrans-60.1-46.3172.7166.60000111.1L573 F576 A580 F581 S589 L590 G591 V595 L596 L597L573-V593 HydrophobicContact CD1-CB 4.35Å; L573-V593 HydrophobicContact CD1-CG1 3.91Å; L573-V593 HydrophobicContact CD1-CG2 4.21Å; F576-V593 HydrophobicContact CB-CG2 3.7Å; A580-V593 HydrophobicContact CB-CB 4.44Å; A580-V593 HydrophobicContact CB-CG2 3.6Å; F581-V593 HydrophobicContact CE2-CG1 4.4Å; S589-V593 WeakPolarHBondContact O-CG2 3.38Å; S589-V593 PolarHBondContact O-N 3.46Å; L590-V593 WeakPolarHBondContact O-CB 3.41Å; L590-V593 PolarHBondContact O-N 3.35Å; G591-V593 VanDerWaalsContact C-N 3.31Å; G591-V593 PolarHBondContact O-N 2.99Å; V593-V595 VanDerWaalsContact C-N 3.34Å; V593-V595 PolarHBondContact O-N 3.18Å; V593-L596 PolarHBondContact O-N 3.09Å; V593-L597 HydrophobicContact CG1-CD1 3.58Å; V593-L597 HydrophobicContact CG1-CG 4.06Å; V593-L597 WeakPolarHBondContact O-CB 3.33Å; V593-L597 WeakPolarHBondContact O-CG 3.46Å; V593-L597 PolarHBondContact O-N 3.09Å
594V95.6Very high90.8Very high2 Ų233.7 Ų33.71%0.01217%0.173CC..Hα-helixtrans-58.2-45176.8170.70000111.5L590 G591 L596 L597 F608 A611 V630 M635 F639L590-V594 WeakPolarHBondContact O-CG2 3.48Å; L590-V594 PolarHBondContact O-N 2.96Å; G591-V594 PolarHBondContact O-N 3.39Å; V594-L596 PolarHBondContact O-N 3.29Å; V594-L597 PolarHBondContact O-N 3.35Å; V594-F608 HydrophobicContact CG1-CE2 4.19Å; V594-F608 HydrophobicContact CG2-CE2 4.44Å; V594-A611 HydrophobicContact CG2-CB 4.41Å; V594-V630 HydrophobicContact CG1-CG2 4.17Å; V594-M635 HydrophobicContact CG1-SD 4.3Å; V594-F639 HydrophobicContact CG1-CE2 4.06Å; V594-F639 HydrophobicContact CG1-CZ 4.4Å; V594-F639 HydrophobicContact CG2-CE2 4.45Å; V594-F639 HydrophobicContact CG2-CZ 4.31Å
595V96.4Very high91.8Very high0 Ų032.3 Ų32.30%015%0.154CC..Hα-helixtrans-60.2-47.4177.3173.50000111.2G591 H592 V593 Q598 Y623 V630 L698 F701G591-V595 WeakPolarHBondContact O-CG2 3.02Å; G591-V595 PolarHBondContact O-N 3.42Å; H592-V595 PolarHBondContact O-N 2.75Å; V593-V595 VanDerWaalsContact C-N 3.34Å; V593-V595 PolarHBondContact O-N 3.18Å; V595-Q598 WeakPolarHBondContact O-CG 3.5Å; V595-Q598 PolarHBondContact O-N 3.21Å; V595-Q598 PolarHBondContact O-NE2 2.84Å; V595-Y623 HydrophobicContact CG2-CE1 3.77Å; V595-V630 HydrophobicContact CG2-CG2 3.98Å; V595-L698 HydrophobicContact CG1-CD2 3.8Å; V595-L698 VanDerWaalsContact O-CD2 3.29Å; V595-L698 WeakPolarHBondContact O-CD2 3.44Å; V595-F701 HydrophobicContact CB-CZ 4.48Å; V595-F701 HydrophobicContact CG1-CB 4.34Å; V595-F701 HydrophobicContact CG1-CD1 3.8Å; V595-F701 HydrophobicContact CG1-CD2 3.98Å; V595-F701 HydrophobicContact CG1-CE1 4.05Å; V595-F701 HydrophobicContact CG1-CE2 4.22Å; V595-F701 HydrophobicContact CG1-CG 3.76Å; V595-F701 HydrophobicContact CG1-CZ 4.26Å
596L95.5Very high92.2Very high2 Ų231.1 Ų31.11%0.0116%0.156CC..Hα-helixtrans-69.9-31.3-177.3-68.6168.5000113.3L569 M572 L573 F576 H592 V593 V594 Q598 H599 F701L569-L596 HydrophobicContact CD2-CD2 3.86Å; M572-L596 HydrophobicContact CB-CD1 4.04Å; M572-L596 HydrophobicContact CB-CD2 4.45Å; L573-L596 HydrophobicContact CB-CB 4.21Å; L573-L596 HydrophobicContact CB-CD1 4.26Å; L573-L596 HydrophobicContact CD1-CB 4.24Å; F576-L596 HydrophobicContact CD2-CD1 4.14Å; H592-L596 VanDerWaalsContact O-CG 3.29Å; H592-L596 WeakPolarHBondContact O-CG 3.48Å; H592-L596 PolarHBondContact O-N 3.14Å; V593-L596 PolarHBondContact O-N 3.09Å; V594-L596 PolarHBondContact O-N 3.29Å; L596-Q598 PolarHBondContact O-N 3.3Å; L596-Q598 VanDerWaalsContact O-N 3.15Å; L596-H599 WeakPolarHBondContact O-CB 2.96Å; L596-H599 PolarHBondContact O-N 3.39Å; L596-F701 HydrophobicContact CD2-CE1 4.12Å; L596-F701 HydrophobicContact CG-CE1 4.28Å
597L94.8Very high92.4Very high0 Ų030.1 Ų30.10%015%0.151CC..Hα-helixtrans-63.3-17.9179.6-80.3169.7000113.9Y356 L573 V593 V594 H599 L607 F608 M635Y356-L597 HydrophobicContact CD1-CD2 4.17Å; Y356-L597 HydrophobicContact CE1-CD2 4.02Å; L573-L597 HydrophobicContact CD1-CD2 4.33Å; L573-L597 HydrophobicContact CD1-CG 4.23Å; L573-L597 HydrophobicContact CD2-CD2 4.01Å; V593-L597 HydrophobicContact CG1-CD1 3.58Å; V593-L597 HydrophobicContact CG1-CG 4.06Å; V593-L597 WeakPolarHBondContact O-CB 3.33Å; V593-L597 WeakPolarHBondContact O-CG 3.46Å; V593-L597 PolarHBondContact O-N 3.09Å; V594-L597 PolarHBondContact O-N 3.35Å; L597-H599 PolarHBondContact O-N 3.38Å; L597-L607 HydrophobicContact CD2-CB 4.06Å; L597-L607 HydrophobicContact CD2-CD2 4.02Å; L597-L607 HydrophobicContact CD2-CG 4.17Å; L597-F608 HydrophobicContact CD1-CB 3.96Å; L597-F608 HydrophobicContact CD1-CD2 4.47Å; L597-M635 HydrophobicContact CB-CE 3.72Å
598Q94.1Very high92.6Very high1 Ų129.5 Ų29.51%0.00515%0.147CC..THydrogen-bonded Turntrans-62.5-29.4176-62.7179.99800112.4V595 L596 D600 W601 Y629 N632 M635 L694V595-Q598 WeakPolarHBondContact O-CG 3.5Å; V595-Q598 PolarHBondContact O-N 3.21Å; V595-Q598 PolarHBondContact O-NE2 2.84Å; L596-Q598 PolarHBondContact O-N 3.3Å; L596-Q598 VanDerWaalsContact O-N 3.15Å; Q598-D600 PolarHBondContact O-N 3.22Å; Q598-W601 PolarHBondContact O-N 3.25Å; Q598-Y629 PolarHBondContact NE2-O 2.82Å; Q598-N632 HydrophobicContact CG-CB 4.06Å; Q598-N632 VanDerWaalsContact OE1-N 3.09Å; Q598-M635 HydrophobicContact CG-CE 3.98Å; Q598-M635 HydrophobicContact CG-SD 3.6Å; Q598-L694 HydrophobicContact CB-CD1 3.76Å; Q598-L694 HydrophobicContact CB-CD2 4.1Å; Q598-L694 WeakPolarHBondContact O-CD2 3.5Å
599H91Very high92.6Very high30 Ų3029.2 Ų29.214%0.13915%0.146CC..THydrogen-bonded Turntrans-57.7-53-16817938000114.4P566 L569 L596 L597 L698P566-H599 VanDerWaalsContact CA-NE2 3.26Å; P566-H599 WeakPolarHBondContact CA-NE2 3.36Å; P566-H599 WeakPolarHBondContact CB-NE2 3.41Å; L569-H599 HydrophobicContact CD1-CB 4.41Å; L596-H599 WeakPolarHBondContact O-CB 2.96Å; L596-H599 PolarHBondContact O-N 3.39Å; L597-H599 PolarHBondContact O-N 3.38Å; H599-L698 HydrophobicContact CB-CD1 3.72Å
600D86.6Confident92.6Very high34 Ų3432 Ų3218%0.18216%0.158CC..THydrogen-bonded Turntrans-10634.7-177.5-72.6-51.1000111.4Y356 Q570 Q598 Q603Y356-D600 HydrophobicContact CE2-CB 3.99Å; Y356-D600 WeakPolarHBondContact OH-CB 3.28Å; Y356-D600 PolarHBondContact OH-OD2 3.49Å; Q570-D600 PolarHBondContact NE2-OD2 2.87Å; Q598-D600 PolarHBondContact O-N 3.22Å; D600-Q603 HydrophobicContact CB-CB 4.34Å; D600-Q603 WeakPolarHBondContact O-CA 3.47Å; D600-Q603 WeakPolarHBondContact O-CB 3.14Å; D600-Q603 WeakPolarHBondContact O-CG 3.35Å; D600-Q603 PolarHBondContact O-N 3.42Å
601W89.9Confident92.6Very high54 Ų5432 Ų3221%0.20516%0.158CC..THydrogen-bonded Turntrans-61.3134.5177.4-165.7-100.2000111.2Q598 E605 F608 N632 D634 M635Q598-W601 PolarHBondContact O-N 3.25Å; W601-E605 HydrophobicContact CH2-CB 3.88Å; W601-E605 HydrophobicContact CH2-CG 3.87Å; W601-E605 HydrophobicContact CZ2-CB 4.27Å; W601-E605 HydrophobicContact CZ2-CG 4.15Å; W601-E605 HydrophobicContact CZ3-CB 4.07Å; W601-F608 HydrophobicContact CH2-CB 4.31Å; W601-F608 AromaticContact CH2-CD1 3.88Å; W601-F608 HydrophobicContact CH2-CD1 3.88Å; W601-F608 HydrophobicContact CH2-CG 4.2Å; W601-F608 HydrophobicContact CZ3-CB 3.88Å; W601-F608 HydrophobicContact CZ3-CD1 4.22Å; W601-F608 HydrophobicContact CZ3-CG 4.05Å; W601-N632 VanDerWaalsContact CD1-ND2 3.27Å; W601-N632 VanDerWaalsContact CG-ND2 3.29Å; W601-D634 HydrophobicContact CZ2-CB 3.66Å; W601-D634 PolarHBondContact NE1-OD2 3.38Å; W601-M635 HydrophobicContact CD2-CE 4.44Å; W601-M635 HydrophobicContact CE3-CE 3.46Å; W601-M635 VanDerWaalsContact CE3-CE 3.46Å; W601-M635 HydrophobicContact CH2-CE 4.3Å; W601-M635 HydrophobicContact CH2-CG 4.32Å; W601-M635 HydrophobicContact CZ3-CE 3.37Å; W601-M635 HydrophobicContact CZ3-CG 4.26Å
602P91.2Very high92.6Very high80 Ų8032.4 Ų32.452%0.51916%0.16SC..THydrogen-bonded Turncis-94.211.1637.1-36.5000115.4G604 E605P602-G604 PolarHBondContact O-N 3.33Å; P602-G604 VanDerWaalsContact O-N 3.14Å; P602-E605 WeakPolarHBondContact O-CB 3.49Å; P602-E605 PolarHBondContact O-N 3.39Å
603Q88Confident92.5Very high134 Ų13436.7 Ų36.763%0.62618%0.183SC*.THydrogen-bonded Turntrans-57.6-32.3-179.8-56.5-173.36.200112.8Y356 D600Y356-Q603 HydrophobicContact CD2-CB 4.33Å; D600-Q603 HydrophobicContact CB-CB 4.34Å; D600-Q603 WeakPolarHBondContact O-CA 3.47Å; D600-Q603 WeakPolarHBondContact O-CB 3.14Å; D600-Q603 WeakPolarHBondContact O-CG 3.35Å; D600-Q603 PolarHBondContact O-N 3.42Å
604G88.1Confident92.3Very high0 Ų037.9 Ų37.90%019%0.188CC..THydrogen-bonded Turntrans-82.2-2.2176.600000116Y356 P602 M606 L607 F608Y356-G604 VanDerWaalsContact CD1-CA 3.47Å; P602-G604 PolarHBondContact O-N 3.33Å; P602-G604 VanDerWaalsContact O-N 3.14Å; G604-M606 PolarHBondContact O-N 2.86Å; G604-L607 PolarHBondContact O-N 3.23Å; G604-F608 PolarHBondContact O-N 3.47Å
605E92Very high92.2Very high88 Ų8837.8 Ų37.841%0.41119%0.188SC..Hα-helixtrans-55.8-46.5-173.2-178.5-176.2-168.800112.7W601 P602 L607 F608 L609W601-E605 HydrophobicContact CH2-CB 3.88Å; W601-E605 HydrophobicContact CH2-CG 3.87Å; W601-E605 HydrophobicContact CZ2-CB 4.27Å; W601-E605 HydrophobicContact CZ2-CG 4.15Å; W601-E605 HydrophobicContact CZ3-CB 4.07Å; P602-E605 WeakPolarHBondContact O-CB 3.49Å; P602-E605 PolarHBondContact O-N 3.39Å; E605-L607 PolarHBondContact O-N 3.12Å; E605-F608 WeakPolarHBondContact O-CA 3.35Å; E605-F608 WeakPolarHBondContact O-CB 3.32Å; E605-F608 PolarHBondContact O-N 3.05Å; E605-F608 VanDerWaalsContact O-N 3.07Å; E605-L609 HydrophobicContact CG-CD1 4.37Å; E605-L609 WeakPolarHBondContact O-CG 3.19Å; E605-L609 PolarHBondContact O-N 3.44Å
606M91.2Very high92Very high124 Ų12440.1 Ų40.161%0.61120%0.204SC*.Hα-helixtrans-62.2-31.9179.2-68.7-60.4-58.100113.2G604 K610G604-M606 PolarHBondContact O-N 2.86Å; M606-K610 WeakPolarHBondContact O-CG 3.48Å
607L91.8Very high91.8Very high2 Ų247.8 Ų47.81%0.0124%0.239CC..Hα-helixtrans-79.4-32.7176.4-172.857.5000111.1K577 F581 L597 G604 E605 K610 A611K577-L607 HydrophobicContact CD-CD2 4.1Å; K577-L607 HydrophobicContact CG-CD2 4.37Å; F581-L607 HydrophobicContact CD2-CD1 4.32Å; F581-L607 HydrophobicContact CE2-CD1 3.51Å; F581-L607 HydrophobicContact CE2-CG 4.18Å; F581-L607 HydrophobicContact CZ-CD1 3.76Å; F581-L607 HydrophobicContact CZ-CG 4.35Å; L597-L607 HydrophobicContact CD2-CB 4.06Å; L597-L607 HydrophobicContact CD2-CD2 4.02Å; L597-L607 HydrophobicContact CD2-CG 4.17Å; G604-L607 PolarHBondContact O-N 3.23Å; E605-L607 PolarHBondContact O-N 3.12Å; L607-K610 PolarHBondContact O-N 3.13Å; L607-A611 PolarHBondContact O-N 2.81Å; L607-A611 VanDerWaalsContact O-N 3.16Å
608F95Very high91.6Very high1 Ų149.8 Ų49.80%0.00425%0.249CC..Hα-helixtrans-63.3-48.2171.5173.7-102.4000112V594 L597 W601 G604 E605 K610 A611 V612 M635 E638 F639V594-F608 HydrophobicContact CG1-CE2 4.19Å; V594-F608 HydrophobicContact CG2-CE2 4.44Å; L597-F608 HydrophobicContact CD1-CB 3.96Å; L597-F608 HydrophobicContact CD1-CD2 4.47Å; W601-F608 HydrophobicContact CH2-CB 4.31Å; W601-F608 AromaticContact CH2-CD1 3.88Å; W601-F608 HydrophobicContact CH2-CD1 3.88Å; W601-F608 HydrophobicContact CH2-CG 4.2Å; W601-F608 HydrophobicContact CZ3-CB 3.88Å; W601-F608 HydrophobicContact CZ3-CD1 4.22Å; W601-F608 HydrophobicContact CZ3-CG 4.05Å; G604-F608 PolarHBondContact O-N 3.47Å; E605-F608 WeakPolarHBondContact O-CA 3.35Å; E605-F608 WeakPolarHBondContact O-CB 3.32Å; E605-F608 PolarHBondContact O-N 3.05Å; E605-F608 VanDerWaalsContact O-N 3.07Å; F608-K610 PolarHBondContact O-N 3.27Å; F608-A611 WeakPolarHBondContact O-CA 3.29Å; F608-A611 VanDerWaalsContact O-CB 3.26Å; F608-A611 WeakPolarHBondContact O-CB 3.44Å; F608-A611 PolarHBondContact O-N 3.12Å; F608-V612 HydrophobicContact CD1-CG2 4.19Å; F608-V612 HydrophobicContact CE1-CG2 3.68Å; F608-V612 HydrophobicContact CE2-CG2 4.17Å; F608-V612 HydrophobicContact CZ-CG2 3.67Å; F608-V612 PolarHBondContact O-N 3.33Å; F608-M635 HydrophobicContact CD2-CE 3.87Å; F608-M635 HydrophobicContact CD2-CG 4.01Å; F608-M635 HydrophobicContact CD2-SD 4.05Å; F608-M635 HydrophobicContact CE1-CG 4.19Å; F608-M635 HydrophobicContact CE2-CB 3.99Å; F608-M635 HydrophobicContact CE2-CE 4.35Å; F608-M635 HydrophobicContact CE2-CG 3.61Å; F608-M635 HydrophobicContact CE2-SD 3.93Å; F608-M635 HydrophobicContact CG-CE 4.26Å; F608-M635 HydrophobicContact CG-CG 4.46Å; F608-M635 HydrophobicContact CZ-CB 3.84Å; F608-M635 HydrophobicContact CZ-CG 3.72Å; F608-E638 HydrophobicContact CE1-CB 4Å; F608-E638 HydrophobicContact CE1-CG 4.04Å; F608-E638 HydrophobicContact CZ-CB 4.13Å; F608-F639 HydrophobicContact CE2-CD2 4.47Å; F608-F639 AromaticContact CE2-CE2 3.88Å; F608-F639 HydrophobicContact CE2-CE2 3.88Å; F608-F639 HydrophobicContact CZ-CD2 4.24Å; F608-F639 HydrophobicContact CZ-CE2 4.04Å
609L93.8Very high91.4Very high62 Ų6251.4 Ų51.433%0.32527%0.266SS..Hα-helixtrans-58.5-33.6177.5-69176000112E605 V612 D613E605-L609 HydrophobicContact CG-CD1 4.37Å; E605-L609 WeakPolarHBondContact O-CG 3.19Å; E605-L609 PolarHBondContact O-N 3.44Å; L609-V612 WeakPolarHBondContact O-CB 3.36Å; L609-V612 PolarHBondContact O-N 2.7Å; L609-D613 PolarHBondContact O-N 3Å
610K92.6Very high91.4Very high57 Ų5750.9 Ų50.925%0.24827%0.265CS..Hα-helixtrans-68.4-36.1172.1-73.2171.7-178.6166.30113.4D358 F581 M606 L607 F608 V612 D613 K614D358-K610 IonicContact OD1-NZ 3.23Å; D358-K610 PolarHBondContact OD1-NZ 3.34Å; D358-K610 IonicContact OD2-NZ 3.28Å; D358-K610 PolarHBondContact OD2-NZ 3.04Å; F581-K610 HydrophobicContact CE1-CB 3.99Å; F581-K610 HydrophobicContact CZ-CB 4.38Å; M606-K610 WeakPolarHBondContact O-CG 3.48Å; L607-K610 PolarHBondContact O-N 3.13Å; F608-K610 PolarHBondContact O-N 3.27Å; K610-V612 VanDerWaalsContact C-N 3.29Å; K610-D613 PolarHBondContact O-N 2.96Å; K610-K614 WeakPolarHBondContact O-CB 3.47Å; K610-K614 PolarHBondContact O-N 3.14Å
611A93.4Very high91.8Very high0 Ų049.3 Ų49.30%026%0.257CS..Hα-helixtrans-63.2-42.2172.400000110.1F581 L590 V594 L607 F608 K614 I615F581-A611 HydrophobicContact CE1-CB 4.26Å; F581-A611 HydrophobicContact CZ-CB 4.07Å; L590-A611 HydrophobicContact CD1-CB 3.69Å; L590-A611 HydrophobicContact CG-CB 4.41Å; V594-A611 HydrophobicContact CG2-CB 4.41Å; L607-A611 PolarHBondContact O-N 2.81Å; L607-A611 VanDerWaalsContact O-N 3.16Å; F608-A611 WeakPolarHBondContact O-CA 3.29Å; F608-A611 VanDerWaalsContact O-CB 3.26Å; F608-A611 WeakPolarHBondContact O-CB 3.44Å; F608-A611 PolarHBondContact O-N 3.12Å; A611-K614 PolarHBondContact O-N 2.82Å; A611-I615 VanDerWaalsContact O-CG1 3.31Å; A611-I615 WeakPolarHBondContact O-CG1 3.29Å; A611-I615 PolarHBondContact O-N 2.85Å
612V94.1Very high91.9Very high9 Ų951 Ų516%0.05527%0.267CS..Hα-helixtrans-61.4-47174.2174.20000111.6F608 L609 K610 K614 I615 C616 L642F608-V612 HydrophobicContact CD1-CG2 4.19Å; F608-V612 HydrophobicContact CE1-CG2 3.68Å; F608-V612 HydrophobicContact CE2-CG2 4.17Å; F608-V612 HydrophobicContact CZ-CG2 3.67Å; F608-V612 PolarHBondContact O-N 3.33Å; L609-V612 WeakPolarHBondContact O-CB 3.36Å; L609-V612 PolarHBondContact O-N 2.7Å; K610-V612 VanDerWaalsContact C-N 3.29Å; V612-K614 VanDerWaalsContact C-N 3.28Å; V612-K614 PolarHBondContact O-N 3.38Å; V612-I615 WeakPolarHBondContact O-CB 3.36Å; V612-I615 PolarHBondContact O-N 3.17Å; V612-I615 VanDerWaalsContact O-N 3.15Å; V612-C616 PolarHBondContact O-N 3.09Å; V612-C616 PolarHBondContact O-SG 2.96Å; V612-L642 HydrophobicContact CG1-CD1 4.2Å; V612-L642 HydrophobicContact CG1-CD2 3.91Å; V612-L642 HydrophobicContact CG1-CG 4.41Å
613D92.4Very high92Very high91 Ų9147.5 Ų47.549%0.48724%0.244SC..Hα-helixtrans-58.3-41.5175.7-78.3-23.1000111.7L609 K610 C616 Q617L609-D613 PolarHBondContact O-N 3Å; K610-D613 PolarHBondContact O-N 2.96Å; D613-C616 WeakPolarHBondContact O-CB 3.46Å; D613-C616 PolarHBondContact O-N 3.31Å; D613-Q617 VanDerWaalsContact O-CG 3.25Å; D613-Q617 WeakPolarHBondContact O-CG 3.46Å; D613-Q617 PolarHBondContact O-N 3.19Å
614K91.8Very high92.2Very high25 Ų2545.5 Ų45.511%0.10923%0.234CC..Hα-helixtrans-64.6-43.2176.4-175.8167.7-177.3166.90111.6A580 F581 D583 L590 K610 A611 V612 C616 Q617 Q618A580-K614 WeakPolarHBondContact O-CD 3.41Å; A580-K614 WeakPolarHBondContact O-CE 3.26Å; A580-K614 PolarHBondContact O-NZ 3.26Å; F581-K614 VanDerWaalsContact C-NZ 3.27Å; F581-K614 HydrophobicContact CD1-CD 4.19Å; F581-K614 PolarHBondContact O-NZ 3Å; D583-K614 PolarHBondContact O-NZ 3.18Å; L590-K614 HydrophobicContact CD2-CB 4.47Å; L590-K614 HydrophobicContact CD2-CD 4.32Å; L590-K614 HydrophobicContact CD2-CG 4.29Å; K610-K614 WeakPolarHBondContact O-CB 3.47Å; K610-K614 PolarHBondContact O-N 3.14Å; A611-K614 PolarHBondContact O-N 2.82Å; V612-K614 VanDerWaalsContact C-N 3.28Å; V612-K614 PolarHBondContact O-N 3.38Å; K614-C616 VanDerWaalsContact C-N 3.31Å; K614-C616 PolarHBondContact O-N 3.29Å; K614-Q617 PolarHBondContact O-N 3.43Å; K614-Q618 VanDerWaalsContact O-CG 3.31Å; K614-Q618 WeakPolarHBondContact O-CG 3.26Å; K614-Q618 PolarHBondContact O-N 3.5Å
615I93.3Very high92.3Very high0 Ų046.5 Ų46.50%024%0.239CC..Hα-helixtrans-59.8-43.4174.1-71.9166.4000110.6L590 A611 V612 Q617 Q618 G619 F621 F639 L642 I650L590-I615 HydrophobicContact CD2-CD1 4.21Å; L590-I615 HydrophobicContact CD2-CG1 3.65Å; A611-I615 VanDerWaalsContact O-CG1 3.31Å; A611-I615 WeakPolarHBondContact O-CG1 3.29Å; A611-I615 PolarHBondContact O-N 2.85Å; V612-I615 WeakPolarHBondContact O-CB 3.36Å; V612-I615 PolarHBondContact O-N 3.17Å; V612-I615 VanDerWaalsContact O-N 3.15Å; I615-Q617 PolarHBondContact O-N 2.95Å; I615-Q618 PolarHBondContact O-N 3.47Å; I615-G619 PolarHBondContact O-N 2.91Å; I615-F621 HydrophobicContact CB-CB 4.5Å; I615-F621 HydrophobicContact CD1-CB 4.42Å; I615-F621 HydrophobicContact CD1-CD1 4.19Å; I615-F621 HydrophobicContact CD1-CD2 3.8Å; I615-F621 HydrophobicContact CD1-CE1 4.38Å; I615-F621 HydrophobicContact CD1-CE2 4.02Å; I615-F621 HydrophobicContact CD1-CG 3.88Å; I615-F621 HydrophobicContact CD1-CZ 4.3Å; I615-F621 HydrophobicContact CG1-CB 4.12Å; I615-F621 HydrophobicContact CG1-CD2 3.7Å; I615-F621 HydrophobicContact CG1-CE2 4.28Å; I615-F621 HydrophobicContact CG1-CG 3.94Å; I615-F621 HydrophobicContact CG2-CB 3.72Å; I615-F621 HydrophobicContact CG2-CG 4.34Å; I615-F639 HydrophobicContact CD1-CE1 4.05Å; I615-F639 HydrophobicContact CD1-CZ 3.76Å; I615-L642 HydrophobicContact CG2-CD1 4.07Å; I615-I650 HydrophobicContact CG2-CG2 3.78Å
616C92.5Very high92.5Very high49 Ų4942.3 Ų42.333%0.33122%0.22SC..Hα-helixtrans-61.2-44.2176.8-670000111.8V612 D613 K614 Q618 G619 L642 I650V612-C616 PolarHBondContact O-N 3.09Å; V612-C616 PolarHBondContact O-SG 2.96Å; D613-C616 WeakPolarHBondContact O-CB 3.46Å; D613-C616 PolarHBondContact O-N 3.31Å; K614-C616 VanDerWaalsContact C-N 3.31Å; K614-C616 PolarHBondContact O-N 3.29Å; C616-Q618 VanDerWaalsContact C-N 3.27Å; C616-Q618 PolarHBondContact O-N 3.14Å; C616-G619 PolarHBondContact O-N 3.29Å; C616-L642 WeakPolarHBondContact SG-CD2 3.44Å; C616-I650 HydrophobicContact CB-CD1 4.47Å
617Q89.9Confident92.5Very high163 Ų16337.3 Ų37.376%0.76220%0.195SC*.Hα-helixtrans-62.8-33176.3-71166.933.700112.5D613 K614 I615D613-Q617 VanDerWaalsContact O-CG 3.25Å; D613-Q617 WeakPolarHBondContact O-CG 3.46Å; D613-Q617 PolarHBondContact O-N 3.19Å; K614-Q617 PolarHBondContact O-N 3.43Å; I615-Q617 PolarHBondContact O-N 2.95Å
618Q90.9Very high92.6Very high42 Ų4240.6 Ų40.620%0.19621%0.212CC..Hα-helixtrans-77.9-22.7177.2-70.7169.9-19.300113.1K614 I615 C616 S620K614-Q618 VanDerWaalsContact O-CG 3.31Å; K614-Q618 WeakPolarHBondContact O-CG 3.26Å; K614-Q618 PolarHBondContact O-N 3.5Å; I615-Q618 PolarHBondContact O-N 3.47Å; C616-Q618 VanDerWaalsContact C-N 3.27Å; C616-Q618 PolarHBondContact O-N 3.14Å; Q618-S620 PolarHBondContact O-N 3.28Å; Q618-S620 VanDerWaalsContact O-N 3.08Å
619G89.9Confident92.6Very high35 Ų3540.9 Ų40.936%0.36121%0.214SC..SBendtrans72.1-7.6179.900000115I615 C616 Q651I615-G619 PolarHBondContact O-N 2.91Å; C616-G619 PolarHBondContact O-N 3.29Å; G619-Q651 PolarHBondContact O-N 2.65Å
620S91.8Very high92.7Very high18 Ų1838 Ų3813%0.12620%0.198CC..EExtended strand (participates in β ladder)trans-153150.5177.464.10000110.1R585 Q618 Q651R585-S620 PolarHBondContact NH2-OG 3.46Å; Q618-S620 PolarHBondContact O-N 3.28Å; Q618-S620 VanDerWaalsContact O-N 3.08Å; S620-Q651 CarbonylContact C-O 3.48Å; S620-Q651 WeakPolarHBondContact CA-O 3.44Å
621F94.1Very high92.8Very high2 Ų235.6 Ų35.61%0.00919%0.188CC..EExtended strand (participates in β ladder)trans-145127.5177174.9-106.4000110.8D587 L590 I615 Y623 F639 Q651 L652 E653 L654D587-F621 HydrophobicContact CB-CD2 3.97Å; D587-F621 HydrophobicContact CB-CE2 4.1Å; D587-F621 WeakPolarHBondContact O-CE2 3.32Å; L590-F621 HydrophobicContact CB-CE2 4.2Å; L590-F621 HydrophobicContact CD2-CD2 4.43Å; L590-F621 HydrophobicContact CD2-CE2 4.26Å; L590-F621 HydrophobicContact CG-CE2 4.28Å; I615-F621 HydrophobicContact CB-CB 4.5Å; I615-F621 HydrophobicContact CD1-CB 4.42Å; I615-F621 HydrophobicContact CD1-CD1 4.19Å; I615-F621 HydrophobicContact CD1-CD2 3.8Å; I615-F621 HydrophobicContact CD1-CE1 4.38Å; I615-F621 HydrophobicContact CD1-CE2 4.02Å; I615-F621 HydrophobicContact CD1-CG 3.88Å; I615-F621 HydrophobicContact CD1-CZ 4.3Å; I615-F621 HydrophobicContact CG1-CB 4.12Å; I615-F621 HydrophobicContact CG1-CD2 3.7Å; I615-F621 HydrophobicContact CG1-CE2 4.28Å; I615-F621 HydrophobicContact CG1-CG 3.94Å; I615-F621 HydrophobicContact CG2-CB 3.72Å; I615-F621 HydrophobicContact CG2-CG 4.34Å; F621-Y623 HydrophobicContact CE1-CG 4.5Å; F621-Y623 HydrophobicContact CZ-CG 4.21Å; F621-F639 AromaticContact CD1-CE1 3.7Å; F621-F639 HydrophobicContact CD1-CE1 3.7Å; F621-F639 HydrophobicContact CD1-CZ 4.4Å; F621-F639 AromaticContact CE1-CE1 3.67Å; F621-F639 HydrophobicContact CE1-CE1 3.67Å; F621-F639 HydrophobicContact CE1-CZ 4.03Å; F621-Q651 PolarHBondContact N-O 3.25Å; F621-L652 HydrophobicContact CB-CD2 4Å; F621-L652 HydrophobicContact CD1-CD2 4.32Å; F621-L652 WeakPolarHBondContact O-CA 3.33Å; F621-E653 PolarHBondContact O-N 2.97Å; F621-L654 HydrophobicContact CD1-CD2 3.84Å; F621-L654 HydrophobicContact CE1-CD2 3.92Å
622Q92.8Very high92.9Very high90 Ų9036.9 Ų36.942%0.42120%0.195SC..EExtended strand (participates in β ladder)trans-115.8120179.2-175.8-179.2-3.300111.4D587 E653D587-Q622 VanDerWaalsContact CB-O 3.28Å; D587-Q622 WeakPolarHBondContact CB-O 3.28Å; D587-Q622 PolarHBondContact OD2-N 3.4Å; Q622-E653 WeakPolarHBondContact CA-O 3.24Å; Q622-E653 HydrophobicContact CB-CB 4.1Å; Q622-E653 HydrophobicContact CG-CB 3.9Å
623Y93.7Very high92.9Very high6 Ų639.8 Ų39.82%0.02421%0.21CC..  trans-156.298.3176-170.5-113.5000111.7L588 G591 H592 V595 F621 N625 F626 E653L588-Y623 HydrophobicContact CD1-CD2 4.31Å; L588-Y623 HydrophobicContact CD1-CE2 4.04Å; G591-Y623 VanDerWaalsContact C-CZ 3.45Å; H592-Y623 AromaticContact ND1-CE2 3.91Å; H592-Y623 AromaticContact ND1-CZ 3.87Å; H592-Y623 PolarHBondContact ND1-OH 3.08Å; V595-Y623 HydrophobicContact CG2-CE1 3.77Å; F621-Y623 HydrophobicContact CE1-CG 4.5Å; F621-Y623 HydrophobicContact CZ-CG 4.21Å; Y623-N625 HydrophobicContact CD1-CB 4.21Å; Y623-N625 HydrophobicContact CE1-CB 3.55Å; Y623-N625 HydrophobicContact CE2-CB 4.16Å; Y623-N625 PolarHBondContact O-N 2.88Å; Y623-F626 HydrophobicContact CD1-CB 3.94Å; Y623-F626 VanDerWaalsContact CD1-N 3.34Å; Y623-F626 WeakPolarHBondContact O-CB 3.31Å; Y623-F626 PolarHBondContact O-N 3.48Å; Y623-E653 PolarHBondContact N-O 3.35Å
624E90.7Very high93Very high91 Ų9139.1 Ų39.143%0.42521%0.206SC..THydrogen-bonded Turntrans-67.5-19-174-58.1-171.5158.500113.7F626E624-F626 VanDerWaalsContact C-N 3.33Å
625N92Very high93.2Very high21 Ų2138 Ų3811%0.11220%0.201CC..THydrogen-bonded Turntrans-86.70.9-179.3-84.6-23.2000113.9Y623 N628 Y629 E705Y623-N625 HydrophobicContact CD1-CB 4.21Å; Y623-N625 HydrophobicContact CE1-CB 3.55Å; Y623-N625 HydrophobicContact CE2-CB 4.16Å; Y623-N625 PolarHBondContact O-N 2.88Å; N625-N628 WeakPolarHBondContact O-CB 3.38Å; N625-N628 PolarHBondContact O-N 2.65Å; N625-N628 PolarHBondContact OD1-ND2 3.34Å; N625-Y629 HydrophobicContact CB-CD2 4.04Å; N625-Y629 HydrophobicContact CB-CE2 4.16Å; N625-Y629 WeakPolarHBondContact O-CD2 3.35Å; N625-Y629 PolarHBondContact O-N 2.89Å; N625-E705 VanDerWaalsContact ND2-CD 3.25Å; N625-E705 PolarHBondContact ND2-OE2 3.11Å
626F94.9Very high93.3Very high0 Ų038.1 Ų38.10%020%0.202CC..Hα-helixtrans-57.4-58.1-175.3-173.7-89.7000112.4Y623 E624 N628 Y629 V630 L636 F639 L654 M683Y623-F626 HydrophobicContact CD1-CB 3.94Å; Y623-F626 VanDerWaalsContact CD1-N 3.34Å; Y623-F626 WeakPolarHBondContact O-CB 3.31Å; Y623-F626 PolarHBondContact O-N 3.48Å; E624-F626 VanDerWaalsContact C-N 3.33Å; F626-N628 PolarHBondContact O-N 3.21Å; F626-N628 VanDerWaalsContact O-N 3.17Å; F626-Y629 PolarHBondContact O-N 3.31Å; F626-V630 HydrophobicContact CD2-CB 4.34Å; F626-V630 HydrophobicContact CD2-CG2 3.87Å; F626-V630 HydrophobicContact CE1-CB 4.4Å; F626-V630 HydrophobicContact CE2-CB 4.19Å; F626-V630 HydrophobicContact CE2-CG1 4.1Å; F626-V630 HydrophobicContact CE2-CG2 4.01Å; F626-V630 HydrophobicContact CG-CG2 4.29Å; F626-V630 HydrophobicContact CZ-CB 4.22Å; F626-V630 HydrophobicContact CZ-CG1 3.99Å; F626-V630 WeakPolarHBondContact O-CB 3.43Å; F626-V630 PolarHBondContact O-N 2.89Å; F626-L636 HydrophobicContact CE1-CD2 3.69Å; F626-L636 HydrophobicContact CZ-CD2 3.94Å; F626-F639 HydrophobicContact CD2-CD1 4.49Å; F626-F639 HydrophobicContact CD2-CE1 4.4Å; F626-F639 HydrophobicContact CE2-CB 4.3Å; F626-F639 AromaticContact CE2-CD1 3.74Å; F626-F639 HydrophobicContact CE2-CD1 3.74Å; F626-F639 AromaticContact CE2-CD2 3.64Å; F626-F639 HydrophobicContact CE2-CD2 3.64Å; F626-F639 AromaticContact CE2-CE1 3.88Å; F626-F639 HydrophobicContact CE2-CE1 3.88Å; F626-F639 AromaticContact CE2-CE2 3.79Å; F626-F639 HydrophobicContact CE2-CE2 3.79Å; F626-F639 AromaticContact CE2-CG 3.61Å; F626-F639 HydrophobicContact CE2-CG 3.61Å; F626-F639 AromaticContact CE2-CZ 3.9Å; F626-F639 HydrophobicContact CE2-CZ 3.9Å; F626-F639 HydrophobicContact CZ-CB 3.81Å; F626-F639 HydrophobicContact CZ-CD1 4.07Å; F626-F639 AromaticContact CZ-CD2 3.87Å; F626-F639 HydrophobicContact CZ-CD2 3.87Å; F626-F639 HydrophobicContact CZ-CE2 4.46Å; F626-F639 AromaticContact CZ-CG 3.64Å; F626-F639 HydrophobicContact CZ-CG 3.64Å; F626-L654 HydrophobicContact CB-CB 4.02Å; F626-L654 HydrophobicContact CB-CD1 4.38Å; F626-L654 HydrophobicContact CB-CD2 3.97Å; F626-L654 HydrophobicContact CB-CG 4.33Å; F626-L654 HydrophobicContact CD1-CB 4.42Å; F626-L654 HydrophobicContact CD1-CD1 3.67Å; F626-L654 HydrophobicContact CD1-CG 4.47Å; F626-L654 HydrophobicContact CD2-CD1 4.19Å; F626-L654 HydrophobicContact CD2-CD2 4.15Å; F626-L654 HydrophobicContact CE1-CD1 3.92Å; F626-L654 HydrophobicContact CE2-CD1 4.41Å; F626-L654 HydrophobicContact CG-CB 4.34Å; F626-L654 HydrophobicContact CG-CD1 3.81Å; F626-L654 HydrophobicContact CG-CD2 4.03Å; F626-L654 HydrophobicContact CG-CG 4.27Å; F626-L654 HydrophobicContact CZ-CD1 4.29Å; F626-M683 HydrophobicContact CE1-CE 3.98Å; F626-M683 HydrophobicContact CE1-SD 4.44Å; F626-M683 HydrophobicContact CZ-CE 4.39Å
627F92.5Very high93.4Very high19 Ų1941.6 Ų41.68%0.08321%0.214CC..Hα-helixtrans-71.2-9.1-179-68.1-64.6000113.2L654 L655 F679 A682 M683 Q686 R689F627-L654 HydrophobicContact CD2-CB 4.04Å; F627-L654 HydrophobicContact CE2-CB 3.61Å; F627-L654 HydrophobicContact CE2-CD1 4.37Å; F627-L654 HydrophobicContact CZ-CB 4.42Å; F627-L654 HydrophobicContact CZ-CD1 4.39Å; F627-L655 HydrophobicContact CD2-CD2 3.8Å; F627-L655 HydrophobicContact CD2-CG 3.99Å; F627-L655 HydrophobicContact CE2-CD1 4.48Å; F627-L655 HydrophobicContact CE2-CD2 4.11Å; F627-L655 HydrophobicContact CE2-CG 3.88Å; F627-F679 HydrophobicContact CZ-CD2 4.19Å; F627-F679 HydrophobicContact CZ-CE2 4.25Å; F627-A682 HydrophobicContact CD1-CB 4.26Å; F627-A682 HydrophobicContact CD2-CB 4.35Å; F627-A682 HydrophobicContact CE1-CB 3.86Å; F627-A682 HydrophobicContact CE2-CB 3.95Å; F627-A682 HydrophobicContact CG-CB 4.5Å; F627-A682 HydrophobicContact CZ-CB 3.69Å; F627-M683 HydrophobicContact CE1-CE 4.34Å; F627-M683 HydrophobicContact CE1-CG 4.15Å; F627-M683 HydrophobicContact CE1-SD 3.77Å; F627-M683 HydrophobicContact CZ-CE 4.32Å; F627-M683 HydrophobicContact CZ-CG 4.3Å; F627-M683 HydrophobicContact CZ-SD 4.22Å; F627-Q686 HydrophobicContact CD1-CB 3.95Å; F627-Q686 HydrophobicContact CD1-CG 4.11Å; F627-Q686 HydrophobicContact CE1-CB 4.37Å; F627-Q686 VanDerWaalsContact O-CD 3.24Å; F627-Q686 PolarHBondContact O-NE2 2.84Å; F627-Q686 PolarHBondContact O-OE1 3.02Å; F627-R689 PolarHBondContact O-NH1 3.41Å
628N92.6Very high93.6Very high72 Ų7237.3 Ų37.339%0.38519%0.193SC..Hα-helixtrans-78.1-39.1174.7-65.1-20.6000111N625 F626 R689N625-N628 WeakPolarHBondContact O-CB 3.38Å; N625-N628 PolarHBondContact O-N 2.65Å; N625-N628 PolarHBondContact OD1-ND2 3.34Å; F626-N628 PolarHBondContact O-N 3.21Å; F626-N628 VanDerWaalsContact O-N 3.17Å; N628-R689 PolarHBondContact O-NH1 2.95Å; N628-R689 PolarHBondContact O-NH2 3.35Å
629Y95.4Very high93.8Very high7 Ų735.3 Ų35.33%0.02718%0.184CC..Hα-helixtrans-130-14.7-163.2-53.7-67.1000116.2Q598 N625 F626 V697 R700 F701 N704 E705Q598-Y629 PolarHBondContact NE2-O 2.82Å; N625-Y629 HydrophobicContact CB-CD2 4.04Å; N625-Y629 HydrophobicContact CB-CE2 4.16Å; N625-Y629 WeakPolarHBondContact O-CD2 3.35Å; N625-Y629 PolarHBondContact O-N 2.89Å; F626-Y629 PolarHBondContact O-N 3.31Å; Y629-V697 HydrophobicContact CD1-CG1 4.28Å; Y629-V697 WeakPolarHBondContact O-CG1 3.42Å; Y629-R700 HydrophobicContact CE1-CG 4.29Å; Y629-F701 HydrophobicContact CD1-CB 3.59Å; Y629-F701 HydrophobicContact CD1-CD2 4.45Å; Y629-F701 HydrophobicContact CD1-CG 4.48Å; Y629-F701 HydrophobicContact CD2-CB 4.32Å; Y629-F701 AromaticContact CD2-CD2 3.64Å; Y629-F701 HydrophobicContact CD2-CD2 3.64Å; Y629-F701 HydrophobicContact CD2-CE2 4.49Å; Y629-F701 HydrophobicContact CD2-CG 4.41Å; Y629-F701 VanDerWaalsContact CE1-CA 3.49Å; Y629-F701 HydrophobicContact CE1-CB 3.82Å; Y629-F701 AromaticContact CE2-CD2 3.84Å; Y629-F701 HydrophobicContact CE2-CD2 3.84Å; Y629-F701 HydrophobicContact CG-CB 3.87Å; Y629-F701 AromaticContact CG-CD2 3.97Å; Y629-F701 HydrophobicContact CG-CD2 3.97Å; Y629-F701 HydrophobicContact CG-CG 4.31Å; Y629-N704 WeakPolarHBondContact OH-CB 3.39Å; Y629-E705 HydrophobicContact CE2-CG 3.65Å; Y629-E705 WeakPolarHBondContact CE2-OE1 3.25Å; Y629-E705 PolarHBondContact OH-OE1 3.34Å
630V95.9Very high94Very high0 Ų035.5 Ų35.50%018%0.182CC..  trans-90.2106.8179.3-176.80000110.5V594 V595 F626 M635 L636 Q686V594-V630 HydrophobicContact CG1-CG2 4.17Å; V595-V630 HydrophobicContact CG2-CG2 3.98Å; F626-V630 HydrophobicContact CD2-CB 4.34Å; F626-V630 HydrophobicContact CD2-CG2 3.87Å; F626-V630 HydrophobicContact CE1-CB 4.4Å; F626-V630 HydrophobicContact CE2-CB 4.19Å; F626-V630 HydrophobicContact CE2-CG1 4.1Å; F626-V630 HydrophobicContact CE2-CG2 4.01Å; F626-V630 HydrophobicContact CG-CG2 4.29Å; F626-V630 HydrophobicContact CZ-CB 4.22Å; F626-V630 HydrophobicContact CZ-CG1 3.99Å; F626-V630 WeakPolarHBondContact O-CB 3.43Å; F626-V630 PolarHBondContact O-N 2.89Å; V630-M635 HydrophobicContact CG1-CB 4.25Å; V630-L636 HydrophobicContact CG1-CD2 4.11Å; V630-Q686 WeakPolarHBondContact O-CG 3.5Å; V630-Q686 PolarHBondContact O-NE2 3.47Å
631T94.9Very high94.1Very high7 Ų740 Ų404%0.04320%0.197CC..  trans-119.5-7.5-178.358.80000113.8I633 R689T631-I633 PolarHBondContact O-N 3.38Å; T631-R689 HydrophobicContact CG2-CB 4.03Å
632N94.9Very high94.1Very high28 Ų2840.1 Ų40.115%0.1520%0.198CC..  trans-66.5126.2176.7179.9-74.2000111.5Q598 W601 D634 M635 L636Q598-N632 HydrophobicContact CG-CB 4.06Å; Q598-N632 VanDerWaalsContact OE1-N 3.09Å; W601-N632 VanDerWaalsContact CD1-ND2 3.27Å; W601-N632 VanDerWaalsContact CG-ND2 3.29Å; N632-D634 PolarHBondContact OD1-N 2.73Å; N632-D634 VanDerWaalsContact OD1-N 3.11Å; N632-M635 HydrophobicContact CB-CB 4.3Å; N632-M635 HydrophobicContact CB-CG 4.11Å; N632-M635 HydrophobicContact CB-SD 4.22Å; N632-M635 PolarHBondContact O-N 3.3Å; N632-M635 PolarHBondContact OD1-N 2.9Å; N632-M635 VanDerWaalsContact OD1-N 3.1Å; N632-L636 VanDerWaalsContact O-CG 3.28Å; N632-L636 WeakPolarHBondContact O-CG 3.26Å; N632-L636 PolarHBondContact O-N 2.99Å
633I94.2Very high93.9Very high69 Ų6938.8 Ų38.835%0.35419%0.189SC..Hα-helixtrans-62.9-48.6-173-63.6173.6000111.6T631 M635 L636 E637 C690T631-I633 PolarHBondContact O-N 3.38Å; I633-M635 VanDerWaalsContact C-N 3.27Å; I633-M635 PolarHBondContact O-N 3.46Å; I633-L636 WeakPolarHBondContact O-CB 3.48Å; I633-L636 PolarHBondContact O-N 2.96Å; I633-E637 HydrophobicContact CG2-CG 4.25Å; I633-E637 WeakPolarHBondContact O-CG 3.43Å; I633-E637 PolarHBondContact O-N 2.91Å; I633-C690 HydrophobicContact CD1-CB 3.86Å; I633-C690 HydrophobicContact CG1-CB 3.72Å
634D94.5Very high93.7Very high78 Ų7840.6 Ų40.642%0.41720%0.201SC..Hα-helixtrans-59.4-41.4-177.7-53.7-39.3000110.8W601 N632 E637 E638W601-D634 HydrophobicContact CZ2-CB 3.66Å; W601-D634 PolarHBondContact NE1-OD2 3.38Å; N632-D634 PolarHBondContact OD1-N 2.73Å; N632-D634 VanDerWaalsContact OD1-N 3.11Å; D634-E637 PolarHBondContact O-N 2.94Å; D634-E638 WeakPolarHBondContact O-CG 3.45Å; D634-E638 PolarHBondContact O-N 3.05Å; D634-E638 VanDerWaalsContact O-N 3.09Å
635M95.4Very high93.5Very high0 Ų040 Ų400%020%0.204CC..Hα-helixtrans-65-41.9174.6-63.9-172178.400112.6V594 L597 Q598 W601 F608 V630 N632 I633 E637 E638 F639V594-M635 HydrophobicContact CG1-SD 4.3Å; L597-M635 HydrophobicContact CB-CE 3.72Å; Q598-M635 HydrophobicContact CG-CE 3.98Å; Q598-M635 HydrophobicContact CG-SD 3.6Å; W601-M635 HydrophobicContact CD2-CE 4.44Å; W601-M635 HydrophobicContact CE3-CE 3.46Å; W601-M635 VanDerWaalsContact CE3-CE 3.46Å; W601-M635 HydrophobicContact CH2-CE 4.3Å; W601-M635 HydrophobicContact CH2-CG 4.32Å; W601-M635 HydrophobicContact CZ3-CE 3.37Å; W601-M635 HydrophobicContact CZ3-CG 4.26Å; F608-M635 HydrophobicContact CD2-CE 3.87Å; F608-M635 HydrophobicContact CD2-CG 4.01Å; F608-M635 HydrophobicContact CD2-SD 4.05Å; F608-M635 HydrophobicContact CE1-CG 4.19Å; F608-M635 HydrophobicContact CE2-CB 3.99Å; F608-M635 HydrophobicContact CE2-CE 4.35Å; F608-M635 HydrophobicContact CE2-CG 3.61Å; F608-M635 HydrophobicContact CE2-SD 3.93Å; F608-M635 HydrophobicContact CG-CE 4.26Å; F608-M635 HydrophobicContact CG-CG 4.46Å; F608-M635 HydrophobicContact CZ-CB 3.84Å; F608-M635 HydrophobicContact CZ-CG 3.72Å; V630-M635 HydrophobicContact CG1-CB 4.25Å; N632-M635 HydrophobicContact CB-CB 4.3Å; N632-M635 HydrophobicContact CB-CG 4.11Å; N632-M635 HydrophobicContact CB-SD 4.22Å; N632-M635 PolarHBondContact O-N 3.3Å; N632-M635 PolarHBondContact OD1-N 2.9Å; N632-M635 VanDerWaalsContact OD1-N 3.1Å; I633-M635 VanDerWaalsContact C-N 3.27Å; I633-M635 PolarHBondContact O-N 3.46Å; M635-E637 VanDerWaalsContact C-N 3.34Å; M635-E638 PolarHBondContact O-N 3.29Å; M635-F639 WeakPolarHBondContact O-CD2 3.36Å; M635-F639 PolarHBondContact O-N 3.1Å
636L95.1Very high93.3Very high4 Ų445.4 Ų45.42%0.02123%0.229CC..Hα-helixtrans-64.3-40.4178.9-68.7172.9000111.6F626 V630 N632 I633 F639 A640 M683 Q686 V687F626-L636 HydrophobicContact CE1-CD2 3.69Å; F626-L636 HydrophobicContact CZ-CD2 3.94Å; V630-L636 HydrophobicContact CG1-CD2 4.11Å; N632-L636 VanDerWaalsContact O-CG 3.28Å; N632-L636 WeakPolarHBondContact O-CG 3.26Å; N632-L636 PolarHBondContact O-N 2.99Å; I633-L636 WeakPolarHBondContact O-CB 3.48Å; I633-L636 PolarHBondContact O-N 2.96Å; L636-F639 PolarHBondContact O-N 3.14Å; L636-A640 WeakPolarHBondContact O-CB 3.44Å; L636-A640 PolarHBondContact O-N 3.36Å; L636-M683 HydrophobicContact CD2-SD 4.03Å; L636-Q686 HydrophobicContact CD1-CB 4.31Å; L636-Q686 HydrophobicContact CD1-CG 4.02Å; L636-Q686 HydrophobicContact CD2-CB 4.35Å; L636-Q686 HydrophobicContact CD2-CG 3.84Å; L636-V687 HydrophobicContact CD1-CG2 3.93Å
637E94.6Very high92.7Very high122 Ų12245.8 Ų45.857%0.5723%0.233SC*.Hα-helixtrans-61.3-46.6175.6-72.5-176.4-178.300111.4I633 D634 M635 F639 A640 Y641I633-E637 HydrophobicContact CG2-CG 4.25Å; I633-E637 WeakPolarHBondContact O-CG 3.43Å; I633-E637 PolarHBondContact O-N 2.91Å; D634-E637 PolarHBondContact O-N 2.94Å; M635-E637 VanDerWaalsContact C-N 3.34Å; E637-F639 PolarHBondContact O-N 2.82Å; E637-A640 WeakPolarHBondContact O-CB 3.26Å; E637-A640 PolarHBondContact O-N 2.9Å; E637-Y641 WeakPolarHBondContact O-CB 3.32Å; E637-Y641 PolarHBondContact O-N 2.85Å
638E95.3Very high92.4Very high72 Ų7247.3 Ų47.334%0.33625%0.254SS..Hα-helixtrans-61-45.7176.7-74.8-61142.900112F608 D634 M635 A640 Y641 L642F608-E638 HydrophobicContact CE1-CB 4Å; F608-E638 HydrophobicContact CE1-CG 4.04Å; F608-E638 HydrophobicContact CZ-CB 4.13Å; D634-E638 WeakPolarHBondContact O-CG 3.45Å; D634-E638 PolarHBondContact O-N 3.05Å; D634-E638 VanDerWaalsContact O-N 3.09Å; M635-E638 PolarHBondContact O-N 3.29Å; E638-A640 VanDerWaalsContact C-N 3.3Å; E638-A640 PolarHBondContact O-N 3.32Å; E638-Y641 WeakPolarHBondContact O-CB 3.4Å; E638-Y641 PolarHBondContact O-N 3.41Å; E638-Y641 VanDerWaalsContact O-N 3.13Å; E638-L642 WeakPolarHBondContact O-CG 3.3Å; E638-L642 PolarHBondContact O-N 3.42Å
639F94.9Very high92.3Very high0 Ų052.7 Ų52.70%027%0.269CS..Hα-helixtrans-65.9-30.8176.1-89-92.1000113.2V594 F608 I615 F621 F626 M635 L636 E637 L642 L652 L654 M683V594-F639 HydrophobicContact CG1-CE2 4.06Å; V594-F639 HydrophobicContact CG1-CZ 4.4Å; V594-F639 HydrophobicContact CG2-CE2 4.45Å; V594-F639 HydrophobicContact CG2-CZ 4.31Å; F608-F639 HydrophobicContact CE2-CD2 4.47Å; F608-F639 AromaticContact CE2-CE2 3.88Å; F608-F639 HydrophobicContact CE2-CE2 3.88Å; F608-F639 HydrophobicContact CZ-CD2 4.24Å; F608-F639 HydrophobicContact CZ-CE2 4.04Å; I615-F639 HydrophobicContact CD1-CE1 4.05Å; I615-F639 HydrophobicContact CD1-CZ 3.76Å; F621-F639 AromaticContact CD1-CE1 3.7Å; F621-F639 HydrophobicContact CD1-CE1 3.7Å; F621-F639 HydrophobicContact CD1-CZ 4.4Å; F621-F639 AromaticContact CE1-CE1 3.67Å; F621-F639 HydrophobicContact CE1-CE1 3.67Å; F621-F639 HydrophobicContact CE1-CZ 4.03Å; F626-F639 HydrophobicContact CD2-CD1 4.49Å; F626-F639 HydrophobicContact CD2-CE1 4.4Å; F626-F639 HydrophobicContact CE2-CB 4.3Å; F626-F639 AromaticContact CE2-CD1 3.74Å; F626-F639 HydrophobicContact CE2-CD1 3.74Å; F626-F639 AromaticContact CE2-CD2 3.64Å; F626-F639 HydrophobicContact CE2-CD2 3.64Å; F626-F639 AromaticContact CE2-CE1 3.88Å; F626-F639 HydrophobicContact CE2-CE1 3.88Å; F626-F639 AromaticContact CE2-CE2 3.79Å; F626-F639 HydrophobicContact CE2-CE2 3.79Å; F626-F639 AromaticContact CE2-CG 3.61Å; F626-F639 HydrophobicContact CE2-CG 3.61Å; F626-F639 AromaticContact CE2-CZ 3.9Å; F626-F639 HydrophobicContact CE2-CZ 3.9Å; F626-F639 HydrophobicContact CZ-CB 3.81Å; F626-F639 HydrophobicContact CZ-CD1 4.07Å; F626-F639 AromaticContact CZ-CD2 3.87Å; F626-F639 HydrophobicContact CZ-CD2 3.87Å; F626-F639 HydrophobicContact CZ-CE2 4.46Å; F626-F639 AromaticContact CZ-CG 3.64Å; F626-F639 HydrophobicContact CZ-CG 3.64Å; M635-F639 WeakPolarHBondContact O-CD2 3.36Å; M635-F639 PolarHBondContact O-N 3.1Å; L636-F639 PolarHBondContact O-N 3.14Å; E637-F639 PolarHBondContact O-N 2.82Å; F639-L642 HydrophobicContact CD1-CD1 4.41Å; F639-L652 HydrophobicContact CD1-CD1 4.28Å; F639-L652 HydrophobicContact CD1-CD2 4.26Å; F639-L652 HydrophobicContact CE1-CD2 4.45Å; F639-L652 WeakPolarHBondContact O-CD1 3.34Å; F639-L654 HydrophobicContact CD1-CD1 4.35Å; F639-M683 HydrophobicContact CB-CE 3.96Å
640A93Very high92.2Very high39 Ų3952.9 Ų52.932%0.32227%0.271SS..Hα-helixtrans-68.3-41171.400000111.3L636 E637 E638 R643L636-A640 WeakPolarHBondContact O-CB 3.44Å; L636-A640 PolarHBondContact O-N 3.36Å; E637-A640 WeakPolarHBondContact O-CB 3.26Å; E637-A640 PolarHBondContact O-N 2.9Å; E638-A640 VanDerWaalsContact C-N 3.3Å; E638-A640 PolarHBondContact O-N 3.32Å; A640-R643 PolarHBondContact O-N 3.46Å
641Y94.1Very high91.8Very high113 Ų11357.7 Ų57.744%0.44329%0.293SS..Hα-helixtrans-61.9-43.4177.3178.3-111.3000112.2E637 E638 R643 T644 E646 G647E637-Y641 WeakPolarHBondContact O-CB 3.32Å; E637-Y641 PolarHBondContact O-N 2.85Å; E638-Y641 WeakPolarHBondContact O-CB 3.4Å; E638-Y641 PolarHBondContact O-N 3.41Å; E638-Y641 VanDerWaalsContact O-N 3.13Å; Y641-R643 PolarHBondContact O-N 3.23Å; Y641-T644 VanDerWaalsContact O-CB 3.3Å; Y641-T644 WeakPolarHBondContact O-CB 3.35Å; Y641-T644 WeakPolarHBondContact O-CG2 3.32Å; Y641-T644 PolarHBondContact O-N 2.88Å; Y641-T644 PolarHBondContact O-OG1 3.36Å; Y641-E646 HydrophobicContact CE2-CB 3.81Å; Y641-E646 PolarHBondContact OH-O 3.44Å; Y641-G647 VanDerWaalsContact CE1-CA 3.48Å; Y641-G647 WeakPolarHBondContact O-CA 3.35Å
642L93.9Very high91.6Very high4 Ų457.8 Ų57.82%0.02129%0.293CS..Hα-helixtrans-54.3-28.1179.5-71.9-179.8000114.8V612 I615 C616 E638 F639 T644 R649 I650 L652V612-L642 HydrophobicContact CG1-CD1 4.2Å; V612-L642 HydrophobicContact CG1-CD2 3.91Å; V612-L642 HydrophobicContact CG1-CG 4.41Å; I615-L642 HydrophobicContact CG2-CD1 4.07Å; C616-L642 WeakPolarHBondContact SG-CD2 3.44Å; E638-L642 WeakPolarHBondContact O-CG 3.3Å; E638-L642 PolarHBondContact O-N 3.42Å; F639-L642 HydrophobicContact CD1-CD1 4.41Å; L642-T644 VanDerWaalsContact C-N 3.35Å; L642-R649 PolarHBondContact O-N 3.48Å; L642-I650 HydrophobicContact CB-CB 4.25Å; L642-I650 HydrophobicContact CB-CG1 4.15Å; L642-I650 HydrophobicContact CD2-CG1 4.19Å; L642-I650 PolarHBondContact O-N 3.32Å; L642-L652 HydrophobicContact CB-CD1 4.41Å
643R89.2Confident91.4Very high63 Ų6358.3 Ų58.324%0.23830%0.295CS..THydrogen-bonded Turntrans-81.1-16.1179.2-165.8170175.2167.2-6.6113.1A640 Y641 L652 V675A640-R643 PolarHBondContact O-N 3.46Å; Y641-R643 PolarHBondContact O-N 3.23Å; R643-L652 HydrophobicContact CB-CD1 4.31Å; R643-V675 PolarHBondContact NH2-O 2.95Å; R643-V675 VanDerWaalsContact NH2-O 3.16Å
644T88.9Confident91.2Very high43 Ų4355 Ų5526%0.26428%0.278SS..SBendtrans-73.2160.8-179.970.30000111.6Y641 L642 E646 G647 G648 R649Y641-T644 VanDerWaalsContact O-CB 3.3Å; Y641-T644 WeakPolarHBondContact O-CB 3.35Å; Y641-T644 WeakPolarHBondContact O-CG2 3.32Å; Y641-T644 PolarHBondContact O-N 2.88Å; Y641-T644 PolarHBondContact O-OG1 3.36Å; L642-T644 VanDerWaalsContact C-N 3.35Å; T644-E646 PolarHBondContact O-N 3.18Å; T644-E646 PolarHBondContact OG1-N 3.07Å; T644-G647 PolarHBondContact O-N 3.48Å; T644-G647 PolarHBondContact OG1-N 3.01Å; T644-G648 PolarHBondContact O-N 2.96Å; T644-R649 PolarHBondContact O-N 3.08Å
645P86.5Confident90.5Very high78 Ų7853.4 Ų53.451%0.50627%0.269SS..THydrogen-bonded Turntrans-54.3-38.4169.4-24.734.5000113.5
646E88Confident89.2Confident136 Ų13656.9 Ų56.964%0.63629%0.292SS*.THydrogen-bonded Turntrans-73.5-35-177.7-61.670.6-151.700111.7Y641 T644 G648Y641-E646 HydrophobicContact CE2-CB 3.81Å; Y641-E646 PolarHBondContact OH-O 3.44Å; T644-E646 PolarHBondContact O-N 3.18Å; T644-E646 PolarHBondContact OG1-N 3.07Å; E646-G648 VanDerWaalsContact C-N 3.31Å; E646-G648 PolarHBondContact O-N 3.4Å
647G83.8Confident87.4Confident8 Ų862 Ų628%0.08232%0.319CS..THydrogen-bonded Turntrans-84.910.517600000115.6Y641 T644Y641-G647 VanDerWaalsContact CE1-CA 3.48Å; Y641-G647 WeakPolarHBondContact O-CA 3.35Å; T644-G647 PolarHBondContact O-N 3.48Å; T644-G647 PolarHBondContact OG1-N 3.01Å
648G86.3Confident85.4Confident51 Ų5157.4 Ų57.453%0.52630%0.298SS..THydrogen-bonded Turntrans96.13.9171.300000116.4T644 E646 I650T644-G648 PolarHBondContact O-N 2.96Å; E646-G648 VanDerWaalsContact C-N 3.31Å; E646-G648 PolarHBondContact O-N 3.4Å; G648-I650 VanDerWaalsContact C-N 3.29Å; G648-I650 PolarHBondContact O-N 3.23Å
649R89.1Confident83.2Confident185 Ų18555.2 Ų55.270%0.69829%0.294SS*.  trans52.941.9-179.8-57.6-174.3-177.8-177.82.2113.6L642 T644 Q651L642-R649 PolarHBondContact O-N 3.48Å; T644-R649 PolarHBondContact O-N 3.08Å; R649-Q651 PolarHBondContact O-N 3.3Å
650I92.9Very high80.9Confident11 Ų1161.6 Ų61.66%0.05633%0.326CS..  trans-61.5134.7-180-53.2-53.3000110.1I615 C616 L642 G648 L652I615-I650 HydrophobicContact CG2-CG2 3.78Å; C616-I650 HydrophobicContact CB-CD1 4.47Å; L642-I650 HydrophobicContact CB-CB 4.25Å; L642-I650 HydrophobicContact CB-CG1 4.15Å; L642-I650 HydrophobicContact CD2-CG1 4.19Å; L642-I650 PolarHBondContact O-N 3.32Å; G648-I650 VanDerWaalsContact C-N 3.29Å; G648-I650 PolarHBondContact O-N 3.23Å; I650-L652 HydrophobicContact CB-CD2 4.48Å; I650-L652 HydrophobicContact CG2-CD2 3.87Å; I650-L652 HydrophobicContact CG2-CG 4.45Å; I650-L652 PolarHBondContact O-N 3.39Å
651Q89.4Confident78.6Confident100 Ų10065.2 Ų65.247%0.46734%0.339SS..EExtended strand (participates in β ladder)trans-77.7104.5174.6178173.9-8.400110G619 S620 F621 R649 E653G619-Q651 PolarHBondContact O-N 2.65Å; S620-Q651 CarbonylContact C-O 3.48Å; S620-Q651 WeakPolarHBondContact CA-O 3.44Å; F621-Q651 PolarHBondContact N-O 3.25Å; R649-Q651 PolarHBondContact O-N 3.3Å; Q651-E653 PolarHBondContact NE2-OE1 3.07Å
652L90.8Very high76.4Confident10 Ų1064.3 Ų64.35%0.05234%0.341CS..EExtended strand (participates in β ladder)trans-100.8116-179.8-60.4178.1000111.2F621 F639 L642 R643 I650 L654 F679F621-L652 HydrophobicContact CB-CD2 4Å; F621-L652 HydrophobicContact CD1-CD2 4.32Å; F621-L652 WeakPolarHBondContact O-CA 3.33Å; F639-L652 HydrophobicContact CD1-CD1 4.28Å; F639-L652 HydrophobicContact CD1-CD2 4.26Å; F639-L652 HydrophobicContact CE1-CD2 4.45Å; F639-L652 WeakPolarHBondContact O-CD1 3.34Å; L642-L652 HydrophobicContact CB-CD1 4.41Å; R643-L652 HydrophobicContact CB-CD1 4.31Å; I650-L652 HydrophobicContact CB-CD2 4.48Å; I650-L652 HydrophobicContact CG2-CD2 3.87Å; I650-L652 HydrophobicContact CG2-CG 4.45Å; I650-L652 PolarHBondContact O-N 3.39Å; L652-L654 HydrophobicContact CB-CD1 4.33Å; L652-L654 HydrophobicContact CB-CG 4.09Å; L652-L654 HydrophobicContact CD1-CD1 4.48Å; L652-F679 HydrophobicContact CD1-CE2 4.46Å; L652-F679 HydrophobicContact CD1-CZ 4.24Å
653E90.3Very high73.9Confident38 Ų3873 Ų7318%0.17838%0.379CS..EExtended strand (participates in β ladder)trans-107.680.4174.8-69.2-176.5-163.800109.4F621 Q622 Y623 Q651F621-E653 PolarHBondContact O-N 2.97Å; Q622-E653 WeakPolarHBondContact CA-O 3.24Å; Q622-E653 HydrophobicContact CB-CB 4.1Å; Q622-E653 HydrophobicContact CG-CB 3.9Å; Y623-E653 PolarHBondContact N-O 3.35Å; Q651-E653 PolarHBondContact NE2-OE1 3.07Å
654L88.9Confident71.5Confident1 Ų177 Ų771%0.00540%0.4CS..  trans-103.9-9.1-172.7-55.1-176.6000113.7F621 F626 F627 F639 L652 F679 M683F621-L654 HydrophobicContact CD1-CD2 3.84Å; F621-L654 HydrophobicContact CE1-CD2 3.92Å; F626-L654 HydrophobicContact CB-CB 4.02Å; F626-L654 HydrophobicContact CB-CD1 4.38Å; F626-L654 HydrophobicContact CB-CD2 3.97Å; F626-L654 HydrophobicContact CB-CG 4.33Å; F626-L654 HydrophobicContact CD1-CB 4.42Å; F626-L654 HydrophobicContact CD1-CD1 3.67Å; F626-L654 HydrophobicContact CD1-CG 4.47Å; F626-L654 HydrophobicContact CD2-CD1 4.19Å; F626-L654 HydrophobicContact CD2-CD2 4.15Å; F626-L654 HydrophobicContact CE1-CD1 3.92Å; F626-L654 HydrophobicContact CE2-CD1 4.41Å; F626-L654 HydrophobicContact CG-CB 4.34Å; F626-L654 HydrophobicContact CG-CD1 3.81Å; F626-L654 HydrophobicContact CG-CD2 4.03Å; F626-L654 HydrophobicContact CG-CG 4.27Å; F626-L654 HydrophobicContact CZ-CD1 4.29Å; F627-L654 HydrophobicContact CD2-CB 4.04Å; F627-L654 HydrophobicContact CE2-CB 3.61Å; F627-L654 HydrophobicContact CE2-CD1 4.37Å; F627-L654 HydrophobicContact CZ-CB 4.42Å; F627-L654 HydrophobicContact CZ-CD1 4.39Å; F639-L654 HydrophobicContact CD1-CD1 4.35Å; L652-L654 HydrophobicContact CB-CD1 4.33Å; L652-L654 HydrophobicContact CB-CG 4.09Å; L652-L654 HydrophobicContact CD1-CD1 4.48Å; L654-F679 HydrophobicContact CD1-CE2 3.97Å; L654-M683 HydrophobicContact CD1-CE 4.49Å
655L80.6Confident69.1Low43 Ų4380.9 Ų80.923%0.22541%0.414CS..SBendtrans-108138.6-179.9-74.7161.2000109.6F627 N657 Q658 A682F627-L655 HydrophobicContact CD2-CD2 3.8Å; F627-L655 HydrophobicContact CD2-CG 3.99Å; F627-L655 HydrophobicContact CE2-CD1 4.48Å; F627-L655 HydrophobicContact CE2-CD2 4.11Å; F627-L655 HydrophobicContact CE2-CG 3.88Å; L655-N657 PolarHBondContact O-N 3.42Å; L655-Q658 HydrophobicContact CB-CG 3.88Å; L655-Q658 VanDerWaalsContact CD1-NE2 3.28Å; L655-A682 HydrophobicContact CD2-CB 4.48Å
656P68.2Low66.6Low74 Ų7483.4 Ų83.448%0.48143%0.429SS..THydrogen-bonded Turntrans-55.3139.5176.3-17.826.4000111.1Q658P656-Q658 VanDerWaalsContact C-N 3.35Å; P656-Q658 PolarHBondContact O-N 2.97Å
657N56.1Low64.4Low110 Ų11083.8 Ų83.859%0.58844%0.44SS*.THydrogen-bonded Turntrans68.99.7174.5-54.4-47.2000117.9L655 G659 M660L655-N657 PolarHBondContact O-N 3.42Å; N657-G659 VanDerWaalsContact C-N 3.31Å; N657-G659 PolarHBondContact O-N 2.84Å; N657-M660 PolarHBondContact O-N 3.45Å
658Q54.4Low62.3Low27 Ų2787.6 Ų87.613%0.12646%0.462CS..Hα-helixtrans-63.4-34.2175.2-80.9-170.3-2200113.5L655 P656 M660 L661 I662L655-Q658 HydrophobicContact CB-CG 3.88Å; L655-Q658 VanDerWaalsContact CD1-NE2 3.28Å; P656-Q658 VanDerWaalsContact C-N 3.35Å; P656-Q658 PolarHBondContact O-N 2.97Å; Q658-M660 VanDerWaalsContact C-N 3.31Å; Q658-M660 PolarHBondContact O-N 2.99Å; Q658-L661 PolarHBondContact O-N 3.4Å; Q658-I662 WeakPolarHBondContact O-CG1 3.42Å; Q658-I662 PolarHBondContact O-N 2.95Å
659G49Very low60.2Low25 Ų2597.3 Ų97.326%0.25848%0.482SS..Hα-helixtrans-65.4-26.6-179.800000114.9N657 K663N657-G659 VanDerWaalsContact C-N 3.31Å; N657-G659 PolarHBondContact O-N 2.84Å; G659-K663 PolarHBondContact O-N 3.34Å
660M45.6Very low58.2Low135 Ų13591 Ų9167%0.66547%0.474SS*.Hα-helixtrans-77.8-33176.8-89.3-166.873.400113N657 Q658N657-M660 PolarHBondContact O-N 3.45Å; Q658-M660 VanDerWaalsContact C-N 3.31Å; Q658-M660 PolarHBondContact O-N 2.99Å
661L44.6Very low56Low114 Ų11494.6 Ų94.660%0.59749%0.493SS*.Hα-helixtrans-72.4-29.8177.6-93.1120.6000112.8Q658Q658-L661 PolarHBondContact O-N 3.4Å
662I47.6Very low54.1Low95 Ų9594.5 Ų94.549%0.48750%0.499SS..Hα-helixtrans-82.4-32.8-176.9-60167.8000111.6Q658Q658-I662 WeakPolarHBondContact O-CG1 3.42Å; Q658-I662 PolarHBondContact O-N 2.95Å
663K41.6Very low52.4Low187 Ų187102.1 Ų102.181%0.81353%0.532SS*.Hα-helixtrans-78.1-20.6-177-79.5-180177.4172.60115.1G659G659-K663 PolarHBondContact O-N 3.34Å
664H38.4Very low51Low147 Ų147101.9 Ų101.968%0.68154%0.54SS*.SBendtrans-104.3-4-173.5-87.8-78.3000116.1
665H40Very low49.8Very low124 Ų124104 Ų10457%0.57455%0.553SS**  trans-120113.8-175.2-70.8-63000113.7V667H665-V667 PolarHBondContact O-N 3.09Å
666T33.4Very low49.3Very low131 Ų131108.8 Ų108.880%0.80457%0.571SS**  trans-47.6131.1161.7-47.70000110.4T668T666-T668 PolarHBondContact O-N 3.25Å; T666-T668 VanDerWaalsContact O-N 3.08Å
667V40.8Very low49.7Very low143 Ų143109.4 Ų109.487%0.86757%0.568SS**  trans-47.2108.3-177179.60000112H665H665-V667 PolarHBondContact O-N 3.09Å
668T39.8Very low50.9Low89 Ų89108.3 Ų108.355%0.54656%0.562SS.*  trans-119.6134.5162.648.90000109.7T666 G670 I671T666-T668 PolarHBondContact O-N 3.25Å; T666-T668 VanDerWaalsContact O-N 3.08Å; T668-G670 PolarHBondContact O-N 3.05Å; T668-I671 PolarHBondContact O-N 2.74Å; T668-I671 WeakPolarHBondContact OG1-CD1 3.28Å
669R43.3Very low52.4Low255 Ų255107.8 Ų107.896%0.96256%0.559SS**THydrogen-bonded Turntrans-63.18.4-162.9-119.1175.2175.3-177.2-2.1116.8
670G45.5Very low54.1Low51 Ų51111.3 Ų111.353%0.52657%0.565SS.*THydrogen-bonded Turntrans-117.4-21.2-175.800000116.2T668T668-G670 PolarHBondContact O-N 3.05Å
671I47.7Very low56.2Low88 Ų88107.8 Ų107.845%0.45155%0.548SS..Hα-helixtrans-75.3-32.4-171.6-61.4170.4000111.8T668 K673 G674 V675T668-I671 PolarHBondContact O-N 2.74Å; T668-I671 WeakPolarHBondContact OG1-CD1 3.28Å; I671-K673 VanDerWaalsContact C-N 3.26Å; I671-K673 PolarHBondContact O-N 2.87Å; I671-G674 PolarHBondContact O-N 2.93Å; I671-V675 PolarHBondContact O-N 3.31Å
672T48.7Very low58.2Low98 Ų98103 Ų10360%0.60153%0.525SS*.Hα-helixtrans-68.6-20.6179.9520000113.9K676T672-K676 WeakPolarHBondContact O-CG 3.37Å; T672-K676 PolarHBondContact O-N 3.07Å
673K56.1Low60.3Low170 Ų17099.2 Ų99.274%0.73951%0.506SS*.Hα-helixtrans-72.7-40.9171.1-80.5-169.8176.1-174.70111.6I671 K676 E677I671-K673 VanDerWaalsContact C-N 3.26Å; I671-K673 PolarHBondContact O-N 2.87Å; K673-K676 PolarHBondContact O-N 3.27Å; K673-E677 PolarHBondContact O-N 3.21Å; K673-E677 VanDerWaalsContact O-N 3.07Å
674G60.2Low62.6Low33 Ų3395 Ų9534%0.3449%0.489SS..Hα-helixtrans-60-47.817700000112.2I671 K676 E677 D678I671-G674 PolarHBondContact O-N 2.93Å; G674-K676 VanDerWaalsContact C-N 3.27Å; G674-K676 PolarHBondContact O-N 3.16Å; G674-E677 PolarHBondContact O-N 2.97Å; G674-E677 VanDerWaalsContact O-N 3.08Å; G674-D678 WeakPolarHBondContact O-CB 3.5Å; G674-D678 PolarHBondContact O-N 3.3Å
675V65.2Low65.1Low45 Ų4596.5 Ų96.527%0.27349%0.489SS..Hα-helixtrans-65.4-26.1179.9-177.40000113.5R643 I671R643-V675 PolarHBondContact NH2-O 2.95Å; R643-V675 VanDerWaalsContact NH2-O 3.16Å; I671-V675 PolarHBondContact O-N 3.31Å
676K69.3Low67.6Low143 Ų14391 Ų9162%0.62246%0.463SS*.Hα-helixtrans-76.6-40.4172.9-77.6-174.9176.1-169.20111.5T672 K673 G674 R680T672-K676 WeakPolarHBondContact O-CG 3.37Å; T672-K676 PolarHBondContact O-N 3.07Å; K673-K676 PolarHBondContact O-N 3.27Å; G674-K676 VanDerWaalsContact C-N 3.27Å; G674-K676 PolarHBondContact O-N 3.16Å; K676-R680 PolarHBondContact O-N 3.38Å; K676-R680 VanDerWaalsContact O-N 3.08Å
677E76.9Confident70.4Confident87 Ų8787.7 Ų87.741%0.40744%0.443SS..Hα-helixtrans-70.3-40.5179.5-164.864-17600112K673 G674 F679 R680 L681K673-E677 PolarHBondContact O-N 3.21Å; K673-E677 VanDerWaalsContact O-N 3.07Å; G674-E677 PolarHBondContact O-N 2.97Å; G674-E677 VanDerWaalsContact O-N 3.08Å; E677-F679 VanDerWaalsContact C-N 3.29Å; E677-F679 PolarHBondContact O-N 3.34Å; E677-R680 PolarHBondContact O-N 3.47Å; E677-R680 IonicContact OE1-CZ 3.75Å; E677-R680 IonicContact OE1-NE 2.67Å; E677-R680 PolarHBondContact OE1-NE 3.25Å; E677-R680 IonicContact OE1-NH2 3.37Å; E677-R680 PolarHBondContact OE1-NH2 3.12Å; E677-R680 IonicContact OE2-NE 2.9Å; E677-R680 PolarHBondContact OE2-NE 2.99Å; E677-L681 HydrophobicContact CG-CD1 4.31Å; E677-L681 WeakPolarHBondContact O-CB 3.37Å; E677-L681 WeakPolarHBondContact O-CG 3.45Å; E677-L681 PolarHBondContact O-N 3.4Å
678D80.9Confident72.8Confident87 Ų8785.5 Ų85.547%0.46543%0.434SS..Hα-helixtrans-60.6-39.8175.7-67.4-26.5000111.8G674 A682G674-D678 WeakPolarHBondContact O-CB 3.5Å; G674-D678 PolarHBondContact O-N 3.3Å; D678-A682 VanDerWaalsContact O-CB 3.26Å; D678-A682 WeakPolarHBondContact O-CB 3.46Å; D678-A682 PolarHBondContact O-N 3.4Å
679F84.9Confident75.3Confident16 Ų1683.5 Ų83.57%0.0742%0.416CS..Hα-helixtrans-69.1-42.6175.7178-95.7000112.6F627 L652 L654 E677 L681 A682 M683F627-F679 HydrophobicContact CZ-CD2 4.19Å; F627-F679 HydrophobicContact CZ-CE2 4.25Å; L652-F679 HydrophobicContact CD1-CE2 4.46Å; L652-F679 HydrophobicContact CD1-CZ 4.24Å; L654-F679 HydrophobicContact CD1-CE2 3.97Å; E677-F679 VanDerWaalsContact C-N 3.29Å; E677-F679 PolarHBondContact O-N 3.34Å; F679-L681 VanDerWaalsContact C-N 3.34Å; F679-L681 PolarHBondContact O-N 3.38Å; F679-A682 PolarHBondContact O-N 3.33Å; F679-M683 HydrophobicContact CD1-CG 4.22Å; F679-M683 HydrophobicContact CE1-CE 4.07Å; F679-M683 HydrophobicContact CE1-CG 3.88Å; F679-M683 HydrophobicContact CE2-CE 3.83Å; F679-M683 HydrophobicContact CE2-CG 4.49Å; F679-M683 HydrophobicContact CZ-CE 3.36Å; F679-M683 HydrophobicContact CZ-CG 4.05Å; F679-M683 WeakPolarHBondContact O-CG 3.35Å; F679-M683 PolarHBondContact O-N 3.36Å
680R86.5Confident77.4Confident100 Ų10074.4 Ų74.438%0.37739%0.391SS..Hα-helixtrans-58.6-48.4175.6-173.5-172.970.676.85.8110.4K676 E677 A682 M683 E684K676-R680 PolarHBondContact O-N 3.38Å; K676-R680 VanDerWaalsContact O-N 3.08Å; E677-R680 PolarHBondContact O-N 3.47Å; E677-R680 IonicContact OE1-CZ 3.75Å; E677-R680 IonicContact OE1-NE 2.67Å; E677-R680 PolarHBondContact OE1-NE 3.25Å; E677-R680 IonicContact OE1-NH2 3.37Å; E677-R680 PolarHBondContact OE1-NH2 3.12Å; E677-R680 IonicContact OE2-NE 2.9Å; E677-R680 PolarHBondContact OE2-NE 2.99Å; R680-A682 PolarHBondContact O-N 3.41Å; R680-M683 PolarHBondContact O-N 3.11Å; R680-E684 IonicContact CZ-OE1 3.91Å; R680-E684 IonicContact CZ-OE2 2.58Å; R680-E684 IonicContact NH1-OE1 2.95Å; R680-E684 PolarHBondContact NH1-OE1 3.42Å; R680-E684 IonicContact NH1-OE2 3.76Å; R680-E684 PolarHBondContact NH1-OE2 3.41Å; R680-E684 WeakPolarHBondContact O-CG 3.27Å; R680-E684 PolarHBondContact O-N 2.85Å
681L87.9Confident79.3Confident60 Ų6075.3 Ų75.331%0.31440%0.4SS..Hα-helixtrans-64-38.1177.4-70171.8000112.3E677 F679 R685E677-L681 HydrophobicContact CG-CD1 4.31Å; E677-L681 WeakPolarHBondContact O-CB 3.37Å; E677-L681 WeakPolarHBondContact O-CG 3.45Å; E677-L681 PolarHBondContact O-N 3.4Å; F679-L681 VanDerWaalsContact C-N 3.34Å; F679-L681 PolarHBondContact O-N 3.38Å; L681-R685 WeakPolarHBondContact O-CB 3.39Å; L681-R685 VanDerWaalsContact O-CG 3.24Å; L681-R685 WeakPolarHBondContact O-CG 3.27Å; L681-R685 PolarHBondContact O-N 3.01Å
682A88.3Confident81.3Confident13 Ų1374.4 Ų74.411%0.10739%0.394CS..Hα-helixtrans-64.6-43.1174.800000111.9F627 L655 D678 F679 R680 R685 Q686F627-A682 HydrophobicContact CD1-CB 4.26Å; F627-A682 HydrophobicContact CD2-CB 4.35Å; F627-A682 HydrophobicContact CE1-CB 3.86Å; F627-A682 HydrophobicContact CE2-CB 3.95Å; F627-A682 HydrophobicContact CG-CB 4.5Å; F627-A682 HydrophobicContact CZ-CB 3.69Å; L655-A682 HydrophobicContact CD2-CB 4.48Å; D678-A682 VanDerWaalsContact O-CB 3.26Å; D678-A682 WeakPolarHBondContact O-CB 3.46Å; D678-A682 PolarHBondContact O-N 3.4Å; F679-A682 PolarHBondContact O-N 3.33Å; R680-A682 PolarHBondContact O-N 3.41Å; A682-R685 PolarHBondContact O-N 3.27Å; A682-Q686 WeakPolarHBondContact O-CB 3.44Å; A682-Q686 PolarHBondContact O-N 2.82Å
683M91.9Very high83.3Confident17 Ų1771 Ų718%0.08437%0.372CS..Hα-helixtrans-62.7-46.1174.3-77.3-65-169.300111.9F626 F627 L636 F639 L654 F679 R680 R685 Q686 V687F626-M683 HydrophobicContact CE1-CE 3.98Å; F626-M683 HydrophobicContact CE1-SD 4.44Å; F626-M683 HydrophobicContact CZ-CE 4.39Å; F627-M683 HydrophobicContact CE1-CE 4.34Å; F627-M683 HydrophobicContact CE1-CG 4.15Å; F627-M683 HydrophobicContact CE1-SD 3.77Å; F627-M683 HydrophobicContact CZ-CE 4.32Å; F627-M683 HydrophobicContact CZ-CG 4.3Å; F627-M683 HydrophobicContact CZ-SD 4.22Å; L636-M683 HydrophobicContact CD2-SD 4.03Å; F639-M683 HydrophobicContact CB-CE 3.96Å; L654-M683 HydrophobicContact CD1-CE 4.49Å; F679-M683 HydrophobicContact CD1-CG 4.22Å; F679-M683 HydrophobicContact CE1-CE 4.07Å; F679-M683 HydrophobicContact CE1-CG 3.88Å; F679-M683 HydrophobicContact CE2-CE 3.83Å; F679-M683 HydrophobicContact CE2-CG 4.49Å; F679-M683 HydrophobicContact CZ-CE 3.36Å; F679-M683 HydrophobicContact CZ-CG 4.05Å; F679-M683 WeakPolarHBondContact O-CG 3.35Å; F679-M683 PolarHBondContact O-N 3.36Å; R680-M683 PolarHBondContact O-N 3.11Å; M683-R685 VanDerWaalsContact C-N 3.34Å; M683-R685 PolarHBondContact O-N 3.19Å; M683-Q686 PolarHBondContact O-N 3.42Å; M683-V687 WeakPolarHBondContact O-CG2 3.33Å; M683-V687 PolarHBondContact O-N 2.94Å
684E89.9Confident84.9Confident99 Ų9964.7 Ų64.746%0.46335%0.347SS..Hα-helixtrans-60.4-42.5177.1-75.6176.4173.600112.4R680 Q686 V687 S688R680-E684 IonicContact CZ-OE1 3.91Å; R680-E684 IonicContact CZ-OE2 2.58Å; R680-E684 IonicContact NH1-OE1 2.95Å; R680-E684 PolarHBondContact NH1-OE1 3.42Å; R680-E684 IonicContact NH1-OE2 3.76Å; R680-E684 PolarHBondContact NH1-OE2 3.41Å; R680-E684 WeakPolarHBondContact O-CG 3.27Å; R680-E684 PolarHBondContact O-N 2.85Å; E684-Q686 VanDerWaalsContact C-N 3.31Å; E684-Q686 PolarHBondContact O-N 3.07Å; E684-V687 PolarHBondContact O-N 3.25Å; E684-S688 PolarHBondContact O-N 2.93Å; E684-S688 VanDerWaalsContact O-N 3.14Å
685R90.8Very high86.4Confident178 Ų17864.9 Ų64.967%0.67234%0.339SS*.Hα-helixtrans-62.3-40.1172.9-73.7173.7-174.3175.93.7111.4L681 A682 M683 S688L681-R685 WeakPolarHBondContact O-CB 3.39Å; L681-R685 VanDerWaalsContact O-CG 3.24Å; L681-R685 WeakPolarHBondContact O-CG 3.27Å; L681-R685 PolarHBondContact O-N 3.01Å; A682-R685 PolarHBondContact O-N 3.27Å; M683-R685 VanDerWaalsContact C-N 3.34Å; M683-R685 PolarHBondContact O-N 3.19Å; R685-S688 WeakPolarHBondContact O-CB 3.45Å; R685-S688 PolarHBondContact O-N 3.44Å; R685-S688 PolarHBondContact O-OG 3.12Å
686Q91.6Very high87.7Confident7 Ų764.9 Ų64.93%0.03334%0.342CS..Hα-helixtrans-70.2-39.2-179.5-16164.24.500112.6F627 V630 L636 A682 M683 E684 S688 R689F627-Q686 HydrophobicContact CD1-CB 3.95Å; F627-Q686 HydrophobicContact CD1-CG 4.11Å; F627-Q686 HydrophobicContact CE1-CB 4.37Å; F627-Q686 VanDerWaalsContact O-CD 3.24Å; F627-Q686 PolarHBondContact O-NE2 2.84Å; F627-Q686 PolarHBondContact O-OE1 3.02Å; V630-Q686 WeakPolarHBondContact O-CG 3.5Å; V630-Q686 PolarHBondContact O-NE2 3.47Å; L636-Q686 HydrophobicContact CD1-CB 4.31Å; L636-Q686 HydrophobicContact CD1-CG 4.02Å; L636-Q686 HydrophobicContact CD2-CB 4.35Å; L636-Q686 HydrophobicContact CD2-CG 3.84Å; A682-Q686 WeakPolarHBondContact O-CB 3.44Å; A682-Q686 PolarHBondContact O-N 2.82Å; M683-Q686 PolarHBondContact O-N 3.42Å; E684-Q686 VanDerWaalsContact C-N 3.31Å; E684-Q686 PolarHBondContact O-N 3.07Å; Q686-S688 PolarHBondContact O-N 2.9Å; Q686-R689 VanDerWaalsContact NE2-NH1 3.2Å; Q686-R689 WeakPolarHBondContact O-CB 3.25Å; Q686-R689 PolarHBondContact O-N 3.3Å
687V91.6Very high88.8Confident63 Ų6358.2 Ų58.238%0.38231%0.313SS..Hα-helixtrans-60-36.2172.8172.10000110.9L636 M683 E684 R689 C690L636-V687 HydrophobicContact CD1-CG2 3.93Å; M683-V687 WeakPolarHBondContact O-CG2 3.33Å; M683-V687 PolarHBondContact O-N 2.94Å; E684-V687 PolarHBondContact O-N 3.25Å; V687-R689 PolarHBondContact O-N 3.38Å; V687-C690 VanDerWaalsContact O-CB 3.32Å; V687-C690 WeakPolarHBondContact O-CB 3.08Å; V687-C690 PolarHBondContact O-N 3.34Å; V687-C690 PolarHBondContact O-SG 3.23Å
688S91.3Very high89.7Confident97 Ų9754 Ų5468%0.67829%0.293SS*.THydrogen-bonded Turntrans-61.7-17.4175.780.60000114.1E684 R685 Q686E684-S688 PolarHBondContact O-N 2.93Å; E684-S688 VanDerWaalsContact O-N 3.14Å; R685-S688 WeakPolarHBondContact O-CB 3.45Å; R685-S688 PolarHBondContact O-N 3.44Å; R685-S688 PolarHBondContact O-OG 3.12Å; Q686-S688 PolarHBondContact O-N 2.9Å
689R92Very high90.3Very high47 Ų4751.4 Ų51.418%0.17728%0.278CS..THydrogen-bonded Turntrans-92.83.2177.5-60.6173.760.3-156.1-8.4113.7F627 N628 T631 Q686 V687 G691 E692F627-R689 PolarHBondContact O-NH1 3.41Å; N628-R689 PolarHBondContact O-NH1 2.95Å; N628-R689 PolarHBondContact O-NH2 3.35Å; T631-R689 HydrophobicContact CG2-CB 4.03Å; Q686-R689 VanDerWaalsContact NE2-NH1 3.2Å; Q686-R689 WeakPolarHBondContact O-CB 3.25Å; Q686-R689 PolarHBondContact O-N 3.3Å; V687-R689 PolarHBondContact O-N 3.38Å; R689-G691 PolarHBondContact O-N 3.05Å; R689-G691 VanDerWaalsContact O-N 3.09Å; R689-E692 HydrophobicContact CB-CG 4.17Å; R689-E692 WeakPolarHBondContact CG-OE1 3.33Å; R689-E692 IonicContact CZ-OE1 3.88Å; R689-E692 IonicContact CZ-OE2 2.75Å; R689-E692 IonicContact NE-OE1 3.54Å; R689-E692 PolarHBondContact NE-OE1 2.91Å; R689-E692 IonicContact NE-OE2 2.79Å; R689-E692 PolarHBondContact NE-OE2 3.24Å; R689-E692 IonicContact NH2-OE1 3.63Å; R689-E692 IonicContact NH2-OE2 3.84Å; R689-E692 PolarHBondContact NH2-OE2 3.45Å; R689-E692 WeakPolarHBondContact O-CB 3.45Å; R689-E692 WeakPolarHBondContact O-CG 3.49Å; R689-E692 PolarHBondContact O-N 3.01Å
690C87.9Confident90.8Very high63 Ų6355.4 Ų55.443%0.42629%0.293SS..THydrogen-bonded Turntrans-59-23.2-179.163.80000114.1I633 V687I633-C690 HydrophobicContact CD1-CB 3.86Å; I633-C690 HydrophobicContact CG1-CB 3.72Å; V687-C690 VanDerWaalsContact O-CB 3.32Å; V687-C690 WeakPolarHBondContact O-CB 3.08Å; V687-C690 PolarHBondContact O-N 3.34Å; V687-C690 PolarHBondContact O-SG 3.23Å
691G85Confident91.2Very high70 Ų7050.7 Ų50.772%0.72228%0.275SS*.THydrogen-bonded Turntrans-84.4-1.3175.200000115.3R689R689-G691 PolarHBondContact O-N 3.05Å; R689-G691 VanDerWaalsContact O-N 3.09Å
692E90.1Very high91.5Very high69 Ų6947.8 Ų47.832%0.32226%0.26SS..SBendtrans-62.9145.3175.1-73-177.7-171.200111R689 L694 V697 R700R689-E692 HydrophobicContact CB-CG 4.17Å; R689-E692 WeakPolarHBondContact CG-OE1 3.33Å; R689-E692 IonicContact CZ-OE1 3.88Å; R689-E692 IonicContact CZ-OE2 2.75Å; R689-E692 IonicContact NE-OE1 3.54Å; R689-E692 PolarHBondContact NE-OE1 2.91Å; R689-E692 IonicContact NE-OE2 2.79Å; R689-E692 PolarHBondContact NE-OE2 3.24Å; R689-E692 IonicContact NH2-OE1 3.63Å; R689-E692 IonicContact NH2-OE2 3.84Å; R689-E692 PolarHBondContact NH2-OE2 3.45Å; R689-E692 WeakPolarHBondContact O-CB 3.45Å; R689-E692 WeakPolarHBondContact O-CG 3.49Å; R689-E692 PolarHBondContact O-N 3.01Å; E692-L694 PolarHBondContact O-N 3.39Å; E692-V697 HydrophobicContact CB-CG2 3.9Å; E692-V697 VanDerWaalsContact OE2-CG2 3.32Å; E692-V697 WeakPolarHBondContact OE2-CG2 3.39Å; E692-R700 IonicContact OE2-NH2 3.73Å
693N90.1Very high91.8Very high27 Ų2750.1 Ų50.114%0.14427%0.27CS..  trans-63.3108.5172.7-179.5-25.1000109.3P530 L695 S696 V697P530-N693 PolarHBondContact O-ND2 3.07Å; P530-N693 VanDerWaalsContact O-ND2 3.07Å; N693-L695 VanDerWaalsContact C-N 3.28Å; N693-L695 PolarHBondContact O-N 2.96Å; N693-L695 PolarHBondContact OD1-N 3.32Å; N693-S696 WeakPolarHBondContact O-CA 3.35Å; N693-S696 WeakPolarHBondContact O-CB 3.22Å; N693-S696 PolarHBondContact O-N 2.84Å; N693-S696 PolarHBondContact OD1-N 3.37Å; N693-V697 PolarHBondContact O-N 3.48Å
694L91.5Very high91.9Very high38 Ų3854.1 Ų54.120%0.19929%0.292CS..Hα-helixtrans-56.6-40-176.3178.363.5000112.9Q598 E692 S696 V697 L698Q598-L694 HydrophobicContact CB-CD1 3.76Å; Q598-L694 HydrophobicContact CB-CD2 4.1Å; Q598-L694 WeakPolarHBondContact O-CD2 3.5Å; E692-L694 PolarHBondContact O-N 3.39Å; L694-S696 VanDerWaalsContact C-N 3.27Å; L694-S696 PolarHBondContact O-N 3.06Å; L694-V697 PolarHBondContact O-N 3.23Å; L694-V697 VanDerWaalsContact O-N 3.14Å; L694-L698 HydrophobicContact CD1-CD1 4.07Å; L694-L698 HydrophobicContact CD1-CD2 4.42Å; L694-L698 HydrophobicContact CD1-CG 3.96Å; L694-L698 HydrophobicContact CD2-CD1 4.44Å; L694-L698 HydrophobicContact CG-CD1 3.94Å; L694-L698 HydrophobicContact CG-CG 4.22Å; L694-L698 WeakPolarHBondContact O-CG 3.43Å; L694-L698 PolarHBondContact O-N 3.44Å
695L90.8Very high92.2Very high36 Ų3650.4 Ų50.419%0.18827%0.274CS..Hα-helixtrans-65-33.5178.3-72.4174.8000111.7P530 L565 L569 N693 H699P530-L695 HydrophobicContact CG-CD1 3.63Å; L565-L695 HydrophobicContact CD2-CB 4.25Å; L565-L695 HydrophobicContact CD2-CD2 4.14Å; L565-L695 HydrophobicContact CG-CD2 4.45Å; L569-L695 HydrophobicContact CD1-CD2 4.1Å; N693-L695 VanDerWaalsContact C-N 3.28Å; N693-L695 PolarHBondContact O-N 2.96Å; N693-L695 PolarHBondContact OD1-N 3.32Å; L695-H699 WeakPolarHBondContact O-CB 3.43Å; L695-H699 PolarHBondContact O-N 2.83Å
696S91.9Very high92.3Very high46 Ų4644.9 Ų44.932%0.32226%0.255SS..Hα-helixtrans-69-38.8172.6-54.40000112N693 L694 R700N693-S696 WeakPolarHBondContact O-CA 3.35Å; N693-S696 WeakPolarHBondContact O-CB 3.22Å; N693-S696 PolarHBondContact O-N 2.84Å; N693-S696 PolarHBondContact OD1-N 3.37Å; L694-S696 VanDerWaalsContact C-N 3.27Å; L694-S696 PolarHBondContact O-N 3.06Å; S696-R700 WeakPolarHBondContact O-CB 3.37Å; S696-R700 PolarHBondContact O-N 3.42Å
697V93.9Very high92.3Very high2 Ų250.2 Ų50.21%0.01228%0.282CS..Hα-helixtrans-64-47.5175.8177.70000110.9Y629 E692 N693 L694 R700 F701Y629-V697 HydrophobicContact CD1-CG1 4.28Å; Y629-V697 WeakPolarHBondContact O-CG1 3.42Å; E692-V697 HydrophobicContact CB-CG2 3.9Å; E692-V697 VanDerWaalsContact OE2-CG2 3.32Å; E692-V697 WeakPolarHBondContact OE2-CG2 3.39Å; N693-V697 PolarHBondContact O-N 3.48Å; L694-V697 PolarHBondContact O-N 3.23Å; L694-V697 VanDerWaalsContact O-N 3.14Å; V697-R700 PolarHBondContact O-N 3Å; V697-F701 PolarHBondContact O-N 3.27Å
698L94.7Very high92.4Very high0 Ų050.3 Ų50.30%028%0.28CS..Hα-helixtrans-69.2-36.2179.4-65.1178.8000112.4L569 V595 H599 L694 F701 C702L569-L698 HydrophobicContact CD1-CB 4.09Å; L569-L698 HydrophobicContact CD1-CD1 3.81Å; L569-L698 HydrophobicContact CD2-CB 4.03Å; V595-L698 HydrophobicContact CG1-CD2 3.8Å; V595-L698 VanDerWaalsContact O-CD2 3.29Å; V595-L698 WeakPolarHBondContact O-CD2 3.44Å; H599-L698 HydrophobicContact CB-CD1 3.72Å; L694-L698 HydrophobicContact CD1-CD1 4.07Å; L694-L698 HydrophobicContact CD1-CD2 4.42Å; L694-L698 HydrophobicContact CD1-CG 3.96Å; L694-L698 HydrophobicContact CD2-CD1 4.44Å; L694-L698 HydrophobicContact CG-CD1 3.94Å; L694-L698 HydrophobicContact CG-CG 4.22Å; L694-L698 WeakPolarHBondContact O-CG 3.43Å; L694-L698 PolarHBondContact O-N 3.44Å; L698-F701 WeakPolarHBondContact O-CB 3.4Å; L698-F701 PolarHBondContact O-N 3.28Å; L698-C702 PolarHBondContact O-N 3.48Å; L698-C702 PolarHBondContact O-SG 3.08Å; L698-C702 VanDerWaalsContact O-SG 3.36Å
699H93.6Very high92.5Very high31 Ų3145.7 Ų45.714%0.14425%0.248CC..Hα-helixtrans-59.9-48.7170.9179.9-88.7000111V524 L527 P529 L695 F701 C702 I703V524-H699 PolarHBondContact O-NE2 3.24Å; L527-H699 PolarHBondContact O-NE2 3.11Å; P529-H699 HydrophobicContact CG-CB 3.76Å; L695-H699 WeakPolarHBondContact O-CB 3.43Å; L695-H699 PolarHBondContact O-N 2.83Å; H699-F701 VanDerWaalsContact C-N 3.29Å; H699-F701 PolarHBondContact O-N 3.26Å; H699-C702 WeakPolarHBondContact O-CB 3.49Å; H699-C702 PolarHBondContact O-N 2.94Å; H699-C702 VanDerWaalsContact O-N 3.08Å; H699-I703 WeakPolarHBondContact O-CG1 3.37Å; H699-I703 PolarHBondContact O-N 3.36Å
700R94.5Very high92.5Very high101 Ų10144.5 Ų44.538%0.38125%0.245SC..Hα-helixtrans-60-38.4176.2-176.8172.856.4-174-6.6112.5Y629 E692 S696 V697 I703 N704Y629-R700 HydrophobicContact CE1-CG 4.29Å; E692-R700 IonicContact OE2-NH2 3.73Å; S696-R700 WeakPolarHBondContact O-CB 3.37Å; S696-R700 PolarHBondContact O-N 3.42Å; V697-R700 PolarHBondContact O-N 3Å; R700-I703 PolarHBondContact O-N 2.96Å; R700-N704 VanDerWaalsContact CG-ND2 3.26Å; R700-N704 WeakPolarHBondContact CG-ND2 3.29Å; R700-N704 VanDerWaalsContact O-CB 3.29Å; R700-N704 WeakPolarHBondContact O-CB 3.33Å; R700-N704 PolarHBondContact O-N 3.16Å
701F95.9Very high92.5Very high0 Ų048 Ų480%026%0.255CS..Hα-helixtrans-57.3-49.6172166.4-108.5000111.4H592 V595 L596 Y629 V697 L698 H699 I703 E705 I709H592-F701 HydrophobicContact CB-CZ 4.33Å; H592-F701 AromaticContact CE1-CE2 3.96Å; H592-F701 AromaticContact ND1-CE2 3.48Å; H592-F701 WeakPolarHBondContact ND1-CE2 3.39Å; H592-F701 AromaticContact ND1-CZ 3.29Å; H592-F701 VanDerWaalsContact ND1-CZ 3.29Å; H592-F701 WeakPolarHBondContact ND1-CZ 3.42Å; V595-F701 HydrophobicContact CB-CZ 4.48Å; V595-F701 HydrophobicContact CG1-CB 4.34Å; V595-F701 HydrophobicContact CG1-CD1 3.8Å; V595-F701 HydrophobicContact CG1-CD2 3.98Å; V595-F701 HydrophobicContact CG1-CE1 4.05Å; V595-F701 HydrophobicContact CG1-CE2 4.22Å; V595-F701 HydrophobicContact CG1-CG 3.76Å; V595-F701 HydrophobicContact CG1-CZ 4.26Å; L596-F701 HydrophobicContact CD2-CE1 4.12Å; L596-F701 HydrophobicContact CG-CE1 4.28Å; Y629-F701 HydrophobicContact CD1-CB 3.59Å; Y629-F701 HydrophobicContact CD1-CD2 4.45Å; Y629-F701 HydrophobicContact CD1-CG 4.48Å; Y629-F701 HydrophobicContact CD2-CB 4.32Å; Y629-F701 AromaticContact CD2-CD2 3.64Å; Y629-F701 HydrophobicContact CD2-CD2 3.64Å; Y629-F701 HydrophobicContact CD2-CE2 4.49Å; Y629-F701 HydrophobicContact CD2-CG 4.41Å; Y629-F701 VanDerWaalsContact CE1-CA 3.49Å; Y629-F701 HydrophobicContact CE1-CB 3.82Å; Y629-F701 AromaticContact CE2-CD2 3.84Å; Y629-F701 HydrophobicContact CE2-CD2 3.84Å; Y629-F701 HydrophobicContact CG-CB 3.87Å; Y629-F701 AromaticContact CG-CD2 3.97Å; Y629-F701 HydrophobicContact CG-CD2 3.97Å; Y629-F701 HydrophobicContact CG-CG 4.31Å; V697-F701 PolarHBondContact O-N 3.27Å; L698-F701 WeakPolarHBondContact O-CB 3.4Å; L698-F701 PolarHBondContact O-N 3.28Å; H699-F701 VanDerWaalsContact C-N 3.29Å; H699-F701 PolarHBondContact O-N 3.26Å; F701-I703 VanDerWaalsContact C-N 3.33Å; F701-I703 PolarHBondContact O-N 3.47Å; F701-E705 HydrophobicContact CD2-CB 4.18Å; F701-E705 HydrophobicContact CD2-CG 3.69Å; F701-E705 HydrophobicContact CE2-CB 4.12Å; F701-E705 HydrophobicContact CE2-CG 3.95Å; F701-E705 VanDerWaalsContact O-CB 3.27Å; F701-E705 WeakPolarHBondContact O-CB 3.37Å; F701-E705 WeakPolarHBondContact O-CG 3.31Å; F701-E705 PolarHBondContact O-N 3.23Å; F701-I709 HydrophobicContact CD1-CD1 4.34Å; F701-I709 HydrophobicContact CE1-CD1 3.81Å; F701-I709 HydrophobicContact CE2-CD1 4.22Å; F701-I709 HydrophobicContact CZ-CD1 3.74Å; F701-I709 HydrophobicContact CZ-CG1 4.03Å
702C94.9Very high92.6Very high0 Ų045 Ų450%022%0.222CC..Hα-helixtrans-58.9-42.1176.9-68.40000112.7L521 V524 L698 H699 K706L521-C702 HydrophobicContact CD2-CB 3.73Å; L521-C702 WeakPolarHBondContact CD2-O 3.29Å; V524-C702 HydrophobicContact CG1-CB 3.74Å; L698-C702 PolarHBondContact O-N 3.48Å; L698-C702 PolarHBondContact O-SG 3.08Å; L698-C702 VanDerWaalsContact O-SG 3.36Å; H699-C702 WeakPolarHBondContact O-CB 3.49Å; H699-C702 PolarHBondContact O-N 2.94Å; H699-C702 VanDerWaalsContact O-N 3.08Å; C702-K706 WeakPolarHBondContact O-CA 3.48Å; C702-K706 WeakPolarHBondContact O-CB 3.37Å; C702-K706 PolarHBondContact O-N 2.75Å
703I93.7Very high92.4Very high62 Ų6242 Ų4232%0.31821%0.209SC..Hα-helixtrans-73.8-51.2-177.2-58.3-49.7000112.1V524 S525 H699 R700 F701V524-I703 HydrophobicContact CG1-CD1 4.17Å; S525-I703 VanDerWaalsContact CA-CD1 3.49Å; H699-I703 WeakPolarHBondContact O-CG1 3.37Å; H699-I703 PolarHBondContact O-N 3.36Å; R700-I703 PolarHBondContact O-N 2.96Å; F701-I703 VanDerWaalsContact C-N 3.33Å; F701-I703 PolarHBondContact O-N 3.47Å
704N95Very high91.6Very high101 Ų10146.3 Ų46.354%0.5424%0.238SC..Hα-helixtrans-72.1-37.3-173.2-69.9-3.5000112Y629 R700Y629-N704 WeakPolarHBondContact OH-CB 3.39Å; R700-N704 VanDerWaalsContact CG-ND2 3.26Å; R700-N704 WeakPolarHBondContact CG-ND2 3.29Å; R700-N704 VanDerWaalsContact O-CB 3.29Å; R700-N704 WeakPolarHBondContact O-CB 3.33Å; R700-N704 PolarHBondContact O-N 3.16Å
705E94.6Very high91.7Very high21 Ų2146.7 Ų46.710%0.09824%0.24CC..THydrogen-bonded Turntrans-95.810.6-176.8-48.6-55.4140.300112.6N625 Y629 F701 I707 I708 I709N625-E705 VanDerWaalsContact ND2-CD 3.25Å; N625-E705 PolarHBondContact ND2-OE2 3.11Å; Y629-E705 HydrophobicContact CE2-CG 3.65Å; Y629-E705 WeakPolarHBondContact CE2-OE1 3.25Å; Y629-E705 PolarHBondContact OH-OE1 3.34Å; F701-E705 HydrophobicContact CD2-CB 4.18Å; F701-E705 HydrophobicContact CD2-CG 3.69Å; F701-E705 HydrophobicContact CE2-CB 4.12Å; F701-E705 HydrophobicContact CE2-CG 3.95Å; F701-E705 VanDerWaalsContact O-CB 3.27Å; F701-E705 WeakPolarHBondContact O-CB 3.37Å; F701-E705 WeakPolarHBondContact O-CG 3.31Å; F701-E705 PolarHBondContact O-N 3.23Å; E705-I707 VanDerWaalsContact C-N 3.27Å; E705-I707 PolarHBondContact O-N 3.38Å; E705-I707 VanDerWaalsContact O-N 3.1Å; E705-I708 PolarHBondContact O-N 3Å; E705-I709 HydrophobicContact CB-CD1 3.88Å; E705-I709 HydrophobicContact CB-CG1 4.05Å; E705-I709 WeakPolarHBondContact O-CB 3.48Å; E705-I709 VanDerWaalsContact O-CG1 3.31Å; E705-I709 WeakPolarHBondContact O-CG1 3.16Å; E705-I709 PolarHBondContact O-N 2.93Å
706K93.4Very high91.7Very high62 Ų6247.3 Ų47.327%0.2724%0.243SC..Hα-helixtrans-44.8-49.1-174.4177.9173.8-175.4172.40113.2L521 D522 C702 I710L521-K706 HydrophobicContact CB-CD 4.28Å; L521-K706 HydrophobicContact CB-CG 4.13Å; L521-K706 HydrophobicContact CD1-CG 4.01Å; D522-K706 IonicContact OD1-NZ 3.65Å; D522-K706 PolarHBondContact OD1-NZ 3.41Å; C702-K706 WeakPolarHBondContact O-CA 3.48Å; C702-K706 WeakPolarHBondContact O-CB 3.37Å; C702-K706 PolarHBondContact O-N 2.75Å; K706-I710 HydrophobicContact CG-CD1 4.03Å; K706-I710 VanDerWaalsContact O-CG1 3.3Å; K706-I710 WeakPolarHBondContact O-CG1 3.49Å; K706-I710 PolarHBondContact O-N 3.32Å; K706-I710 VanDerWaalsContact O-N 3.12Å
707I92.8Very high91.7Very high118 Ų11847.3 Ų47.361%0.60524%0.239SC*.Hα-helixtrans-65.7-46.6-177.1-62174.9000110.8E705 I710 Q711E705-I707 VanDerWaalsContact C-N 3.27Å; E705-I707 PolarHBondContact O-N 3.38Å; E705-I707 VanDerWaalsContact O-N 3.1Å; I707-I710 PolarHBondContact O-N 3.07Å; I707-Q711 HydrophobicContact CG2-CG 4.4Å; I707-Q711 WeakPolarHBondContact O-CB 3.49Å; I707-Q711 VanDerWaalsContact O-CG 3.3Å; I707-Q711 WeakPolarHBondContact O-CG 3.44Å; I707-Q711 PolarHBondContact O-N 3.22Å
708I92.3Very high91.6Very high65 Ų6550 Ų5033%0.33325%0.252SS..Hα-helixtrans-65.9-43.9-177.9-63.3176.4000109.9L588 E705 I710 Q711 S712L588-I708 HydrophobicContact CD1-CG2 4.16Å; L588-I708 HydrophobicContact CD2-CG2 4.1Å; E705-I708 PolarHBondContact O-N 3Å; I708-I710 VanDerWaalsContact C-N 3.34Å; I708-I710 PolarHBondContact O-N 3.37Å; I708-Q711 PolarHBondContact O-N 3.08Å; I708-S712 VanDerWaalsContact O-CB 3.3Å; I708-S712 WeakPolarHBondContact O-CB 3.5Å; I708-S712 PolarHBondContact O-N 2.86Å; I708-S712 PolarHBondContact O-OG 3.24Å
709I93.1Very high91.4Very high0 Ų053.1 Ų53.10%027%0.268CS..Hα-helixtrans-55.3-49175.7-69.4168.1000110.4L521 M572 F576 F701 E705 S712L521-I709 HydrophobicContact CD1-CB 4.27Å; L521-I709 HydrophobicContact CD1-CG2 3.83Å; L521-I709 HydrophobicContact CD2-CD1 4.43Å; M572-I709 HydrophobicContact CE-CD1 4.04Å; M572-I709 HydrophobicContact CE-CG2 3.81Å; F576-I709 HydrophobicContact CE2-CG2 3.89Å; F576-I709 HydrophobicContact CZ-CG2 3.9Å; F701-I709 HydrophobicContact CD1-CD1 4.34Å; F701-I709 HydrophobicContact CE1-CD1 3.81Å; F701-I709 HydrophobicContact CE2-CD1 4.22Å; F701-I709 HydrophobicContact CZ-CD1 3.74Å; F701-I709 HydrophobicContact CZ-CG1 4.03Å; E705-I709 HydrophobicContact CB-CD1 3.88Å; E705-I709 HydrophobicContact CB-CG1 4.05Å; E705-I709 WeakPolarHBondContact O-CB 3.48Å; E705-I709 VanDerWaalsContact O-CG1 3.31Å; E705-I709 WeakPolarHBondContact O-CG1 3.16Å; E705-I709 PolarHBondContact O-N 2.93Å; I709-S712 PolarHBondContact O-N 3.48Å; I709-S712 PolarHBondContact O-OG 3.14Å
710I91.9Very high91.2Very high22 Ų2254.6 Ų54.611%0.11328%0.276CS..Hα-helixtrans-66.4-42.1-179.6-67.2168.4000111.6R514 E518 L521 K706 I707 I708 S712 L713R514-I710 HydrophobicContact CG-CG2 3.88Å; E518-I710 HydrophobicContact CB-CD1 4.26Å; E518-I710 HydrophobicContact CG-CD1 4.21Å; L521-I710 HydrophobicContact CD1-CD1 3.95Å; L521-I710 HydrophobicContact CD1-CG1 3.65Å; K706-I710 HydrophobicContact CG-CD1 4.03Å; K706-I710 VanDerWaalsContact O-CG1 3.3Å; K706-I710 WeakPolarHBondContact O-CG1 3.49Å; K706-I710 PolarHBondContact O-N 3.32Å; K706-I710 VanDerWaalsContact O-N 3.12Å; I707-I710 PolarHBondContact O-N 3.07Å; I708-I710 VanDerWaalsContact C-N 3.34Å; I708-I710 PolarHBondContact O-N 3.37Å; I710-S712 VanDerWaalsContact C-N 3.28Å; I710-S712 PolarHBondContact O-N 2.72Å; I710-L713 PolarHBondContact O-N 3.09Å
711Q89.4Confident91Very high137 Ų13751.3 Ų51.364%0.6427%0.268SS*.Hα-helixtrans-69.4-25.9-179.6-72.7176.6-7.600113.2I707 I708 L713I707-Q711 HydrophobicContact CG2-CG 4.4Å; I707-Q711 WeakPolarHBondContact O-CB 3.49Å; I707-Q711 VanDerWaalsContact O-CG 3.3Å; I707-Q711 WeakPolarHBondContact O-CG 3.44Å; I707-Q711 PolarHBondContact O-N 3.22Å; I708-Q711 PolarHBondContact O-N 3.08Å; Q711-L713 PolarHBondContact O-N 3.03Å
712S86.8Confident90.6Very high6 Ų655.2 Ų55.24%0.04229%0.289CS..THydrogen-bonded Turntrans-78.8-0.2178.367.60000114.2F576 R579 I708 I709 I710F576-S712 WeakPolarHBondContact CE1-OG 3.3Å; F576-S712 VanDerWaalsContact CZ-OG 3.27Å; F576-S712 WeakPolarHBondContact CZ-OG 3.33Å; R579-S712 PolarHBondContact NE-O 3.21Å; R579-S712 PolarHBondContact NH1-O 3.19Å; R579-S712 PolarHBondContact NH2-O 3.06Å; I708-S712 VanDerWaalsContact O-CB 3.3Å; I708-S712 WeakPolarHBondContact O-CB 3.5Å; I708-S712 PolarHBondContact O-N 2.86Å; I708-S712 PolarHBondContact O-OG 3.24Å; I709-S712 PolarHBondContact O-N 3.48Å; I709-S712 PolarHBondContact O-OG 3.14Å; I710-S712 VanDerWaalsContact C-N 3.28Å; I710-S712 PolarHBondContact O-N 2.72Å
713L86.5Confident90.2Very high6 Ų659.8 Ų59.83%0.03131%0.313CS..  trans-112145.5176.4-71.4168.1000111.2R514 C517 C575 F576 I710 Q711R514-L713 HydrophobicContact CB-CB 4.06Å; C517-L713 HydrophobicContact CB-CD1 3.68Å; C517-L713 WeakPolarHBondContact SG-CD1 3.41Å; C575-L713 HydrophobicContact CB-CD1 4.32Å; C575-L713 HydrophobicContact CB-CD2 4.42Å; F576-L713 HydrophobicContact CD1-CD2 3.65Å; F576-L713 HydrophobicContact CD1-CG 4.21Å; F576-L713 HydrophobicContact CE1-CD1 4.15Å; F576-L713 HydrophobicContact CE1-CD2 3.54Å; F576-L713 HydrophobicContact CE1-CG 3.58Å; F576-L713 HydrophobicContact CE2-CD1 3.98Å; F576-L713 HydrophobicContact CE2-CD2 4.47Å; F576-L713 HydrophobicContact CE2-CG 4.32Å; F576-L713 HydrophobicContact CG-CD2 4.17Å; F576-L713 HydrophobicContact CZ-CD1 3.71Å; F576-L713 HydrophobicContact CZ-CD2 3.98Å; F576-L713 HydrophobicContact CZ-CG 3.63Å; I710-L713 PolarHBondContact O-N 3.09Å; Q711-L713 PolarHBondContact O-N 3.03Å
714P73.4Confident89.9Confident118 Ų11859.6 Ų59.677%0.76631%0.313SS*.  trans-69.30-177.631.1-34.5000113.3Y513 R514Y513-P714 HydrophobicContact CD2-CG 4.38Å; R514-P714 WeakPolarHBondContact CB-O 3.24Å

Retrieved 714 of 714 residues in 990.4 ms (Link to these results)

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