A0A087X102_HUMAN Loading...

Checkpoint kinase 2

AlphaFold DB , UniProt , Accession A0A087X102, Species HUMAN (Homo sapiens, Human), Gene CHEK2, Length 323 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
1M34.7Very low43.1Very low231 Ų231119.3 Ų119.3100%1.13862%0.621SS**  091.90-77.8-174.5-15300107.1R3M1-R3 PolarHBondContact O-N 2.85Å
2E26.7Very low44.7Very low186 Ų186109.9 Ų109.987%0.86958%0.575SS**  trans-69.5125.2166.2-78.3173.7150.300108L4E2-L4 PolarHBondContact O-N 3.36Å
3R34.2Very low47.7Very low237 Ų237106.6 Ų106.689%0.89456%0.555SS**  trans-81.288.3-178.1-73.6178.7176.2-179.4-2108.9M1 L5M1-R3 PolarHBondContact O-N 2.85Å; R3-L5 PolarHBondContact O-N 2.83Å
4L41.2Very low50.5Low107 Ų107102.3 Ų102.356%0.5654%0.535SS*.  trans-91.295.8165.4-72.6164.5000108.1E2 Y6 L16E2-L4 PolarHBondContact O-N 3.36Å; L4-Y6 HydrophobicContact CB-CD2 4.47Å; L4-Y6 HydrophobicContact CB-CE2 4.37Å; L4-L16 HydrophobicContact CD1-CD2 4.22Å
5L44.7Very low53.2Low92 Ų92100 Ų10048%0.48252%0.519SS..EExtended strand (participates in β ladder)trans-70.2120.3172.3-159.387.4000108R3 I8 E13R3-L5 PolarHBondContact O-N 2.83Å; L5-I8 HydrophobicContact CD2-CD1 4.11Å; L5-I8 HydrophobicContact CD2-CG1 3.96Å; L5-E13 HydrophobicContact CD1-CG 3.7Å; L5-E13 WeakPolarHBondContact CD1-OE1 3.46Å
6Y54Low55.7Low124 Ų12495.6 Ų95.649%0.48650%0.496SS..EExtended strand (participates in β ladder)trans-101-10.6-178.8-101.9-97.4000113.4L4 V14 L16L4-Y6 HydrophobicContact CB-CD2 4.47Å; L4-Y6 HydrophobicContact CB-CE2 4.37Å; Y6-V14 PolarHBondContact N-O 2.87Å; Y6-L16 HydrophobicContact CD2-CB 3.74Å; Y6-L16 HydrophobicContact CE2-CB 3.89Å; Y6-L16 HydrophobicContact CE2-CD2 3.88Å; Y6-L16 HydrophobicContact CE2-CG 4.41Å
7G49.7Very low58Low20 Ų2091.3 Ų91.321%0.20648%0.478CS..EExtended strand (participates in β ladder)trans171.3155.2173.500000113.4V14G7-V14 PolarHBondContact O-N 2.68Å; G7-V14 VanDerWaalsContact O-N 3.13Å
8I47.9Very low60Low140 Ų14093.3 Ų93.372%0.71848%0.483SS*.EExtended strand (participates in β ladder)trans-116.3106169.7-59.1174.2000106.8L5L5-I8 HydrophobicContact CD2-CD1 4.11Å; L5-I8 HydrophobicContact CD2-CG1 3.96Å
9G50.3Low61.7Low41 Ų4192.7 Ų92.742%0.42348%0.477SS..EExtended strand (participates in β ladder)trans-93.2166.9173.900000111.9C11 G12G9-C11 PolarHBondContact O-N 3.03Å; G9-C11 VanDerWaalsContact O-N 3.15Å; G9-G12 PolarHBondContact N-O 2.58Å; G9-G12 PolarHBondContact O-N 3.47Å
10A41.8Very low63.2Low97 Ų97100 Ų10080%0.80250%0.499SS*.THydrogen-bonded Turntrans-56.4-30176.300000113
11C48.8Very low64.6Low37 Ų37104.3 Ų104.325%0.2551%0.514CS..THydrogen-bonded Turntrans-99.9-5.2-175.5-63.20000114.7G9G9-C11 PolarHBondContact O-N 3.03Å; G9-C11 VanDerWaalsContact O-N 3.15Å
12G62.8Low67.3Low7 Ų796.1 Ų96.17%0.07248%0.477CS..EExtended strand (participates in β ladder)trans163.8178-174.200000116.2G9 I30G9-G12 PolarHBondContact N-O 2.58Å; G9-G12 PolarHBondContact O-N 3.47Å; G12-I30 WeakPolarHBondContact CA-O 3.28Å
13E83Confident70.4Confident67 Ų6792 Ų9231%0.31347%0.468SS..EExtended strand (participates in β ladder)trans-98.1132.9175.5-171.6-173.8-177.200109L5 K15 I30L5-E13 HydrophobicContact CD1-CG 3.7Å; L5-E13 WeakPolarHBondContact CD1-OE1 3.46Å; E13-K15 VanDerWaalsContact CD-NZ 3.25Å; E13-K15 HydrophobicContact CG-CG 4.45Å; E13-K15 WeakPolarHBondContact OE1-CE 3.35Å; E13-K15 IonicContact OE1-NZ 2.85Å; E13-K15 PolarHBondContact OE1-NZ 3.49Å; E13-K15 VanDerWaalsContact OE1-NZ 3.14Å; E13-K15 WeakPolarHBondContact OE2-CE 3.17Å; E13-K15 IonicContact OE2-NZ 3.8Å; E13-K15 PolarHBondContact OE2-NZ 3.44Å; E13-I30 PolarHBondContact N-O 3.45Å; E13-I30 PolarHBondContact O-N 2.7Å
14V88Confident73.2Confident46 Ų4686.1 Ų86.128%0.27945%0.449SS..EExtended strand (participates in β ladder)trans-106.2126.4174.8-176.90000110Y6 G7 A27 I28 K29Y6-V14 PolarHBondContact N-O 2.87Å; G7-V14 PolarHBondContact O-N 2.68Å; G7-V14 VanDerWaalsContact O-N 3.13Å; V14-A27 HydrophobicContact CG1-CB 4.1Å; V14-I28 WeakPolarHBondContact CA-O 3.32Å; V14-K29 HydrophobicContact CG2-CB 4.35Å; V14-K29 HydrophobicContact CG2-CG 4.43Å
15K90.7Very high75.7Confident68 Ų6885.3 Ų85.330%0.29644%0.441SS..EExtended strand (participates in β ladder)trans-117.1140.5-179.7-66.3-173.7178.6151.70112E13 A27 I28 I30E13-K15 VanDerWaalsContact CD-NZ 3.25Å; E13-K15 HydrophobicContact CG-CG 4.45Å; E13-K15 WeakPolarHBondContact OE1-CE 3.35Å; E13-K15 IonicContact OE1-NZ 2.85Å; E13-K15 PolarHBondContact OE1-NZ 3.49Å; E13-K15 VanDerWaalsContact OE1-NZ 3.14Å; E13-K15 WeakPolarHBondContact OE2-CE 3.17Å; E13-K15 IonicContact OE2-NZ 3.8Å; E13-K15 PolarHBondContact OE2-NZ 3.44Å; K15-A27 CarbonylContact O-C 3.59Å; K15-I28 PolarHBondContact N-O 3.13Å; K15-I28 PolarHBondContact O-N 3.48Å; K15-I30 HydrophobicContact CD-CD1 3.8Å; K15-I30 HydrophobicContact CG-CD1 4.27Å
16L92.5Very high78.2Confident29 Ų2981.2 Ų81.215%0.15242%0.42CS..EExtended strand (participates in β ladder)trans-68.4133.8161.8174.864.3000109.5L4 Y6 F18 K25 L83L4-L16 HydrophobicContact CD1-CD2 4.22Å; Y6-L16 HydrophobicContact CD2-CB 3.74Å; Y6-L16 HydrophobicContact CE2-CB 3.89Å; Y6-L16 HydrophobicContact CE2-CD2 3.88Å; Y6-L16 HydrophobicContact CE2-CG 4.41Å; L16-F18 HydrophobicContact CD2-CE2 4.42Å; L16-F18 HydrophobicContact CD2-CZ 4.43Å; L16-F18 HydrophobicContact CG-CE2 4.49Å; L16-K25 HydrophobicContact CD1-CB 3.91Å; L16-K25 HydrophobicContact CD1-CD 4.15Å; L16-K25 HydrophobicContact CD1-CG 4.11Å; L16-L83 HydrophobicContact CD1-CD1 4.43Å; L16-L83 HydrophobicContact CD1-CD2 3.69Å
17A94.8Very high80.1Confident23 Ų2375.8 Ų75.819%0.1940%0.401CS..EExtended strand (participates in β ladder)trans-138.3169.117000000111.2K25 V26 I28A17-K25 CarbonylContact O-C 3.57Å; A17-K25 WeakPolarHBondContact O-CA 3.48Å; A17-V26 HydrophobicContact CB-CG2 3.86Å; A17-V26 PolarHBondContact N-O 3.21Å; A17-V26 PolarHBondContact O-N 3.26Å; A17-I28 HydrophobicContact CB-CD1 3.44Å; A17-I28 VanDerWaalsContact CB-CD1 3.44Å; A17-I28 HydrophobicContact CB-CG1 3.88Å
18F94.1Very high82.3Confident128 Ų12876.7 Ų76.756%0.56140%0.4SS*.EExtended strand (participates in β ladder)trans-119.4126.4176.7-64.2-93.3000109.1L16 R20 K24 K25L16-F18 HydrophobicContact CD2-CE2 4.42Å; L16-F18 HydrophobicContact CD2-CZ 4.43Å; L16-F18 HydrophobicContact CG-CE2 4.49Å; F18-R20 PolarHBondContact O-N 3.34Å; F18-K24 WeakPolarHBondContact CA-O 3.3Å; F18-K25 HydrophobicContact CD1-CG 4.12Å; F18-K25 HydrophobicContact CE1-CG 3.65Å; F18-K25 HydrophobicContact CZ-CG 4.29Å
19E93.3Very high84.3Confident81 Ų8170.8 Ų70.838%0.37937%0.369SS..  trans-67.7117.8172.6179.7-176.6-161.200109.2K21 T22 C23 K24E19-K21 HydrophobicContact CG-CB 4.49Å; E19-K21 PolarHBondContact O-N 2.69Å; E19-K21 VanDerWaalsContact O-N 3.15Å; E19-T22 WeakPolarHBondContact CB-OG1 3.47Å; E19-T22 PolarHBondContact O-N 3.27Å; E19-T22 WeakPolarHBondContact OE2-CB 3.11Å; E19-T22 VanDerWaalsContact OE2-CG2 3.23Å; E19-T22 WeakPolarHBondContact OE2-CG2 3.29Å; E19-T22 PolarHBondContact OE2-OG1 3.47Å; E19-C23 VanDerWaalsContact O-CA 3.23Å; E19-C23 WeakPolarHBondContact O-CA 3.44Å; E19-C23 PolarHBondContact O-N 3.3Å; E19-K24 PolarHBondContact N-O 2.91Å
20R92.1Very high86.3Confident239 Ų23970 Ų7090%0.90236%0.355SS*.THydrogen-bonded Turntrans-57.3-34.4-174.4-68.3179.3178.1-94.92.8114.1F18F18-R20 PolarHBondContact O-N 3.34Å
21K91.9Very high88.4Confident190 Ų19065.7 Ų65.783%0.82632%0.319SS*.THydrogen-bonded Turntrans-73.4-35.8-176.3-175.4179.5177.5-176.10112.6E19E19-K21 HydrophobicContact CG-CB 4.49Å; E19-K21 PolarHBondContact O-N 2.69Å; E19-K21 VanDerWaalsContact O-N 3.15Å
22T91.6Very high90.1Very high59 Ų5965.2 Ų65.236%0.36232%0.316SS..THydrogen-bonded Turntrans-114.7-10.9-170.265.80000112.8E19 K24E19-T22 WeakPolarHBondContact CB-OG1 3.47Å; E19-T22 PolarHBondContact O-N 3.27Å; E19-T22 WeakPolarHBondContact OE2-CB 3.11Å; E19-T22 VanDerWaalsContact OE2-CG2 3.23Å; E19-T22 WeakPolarHBondContact OE2-CG2 3.29Å; E19-T22 PolarHBondContact OE2-OG1 3.47Å; T22-K24 PolarHBondContact O-N 2.87Å; T22-K24 WeakPolarHBondContact OG1-CB 3.42Å; T22-K24 PolarHBondContact OG1-N 2.81Å
23C92.1Very high91.1Very high99 Ų9968 Ų6867%0.66933%0.326SS*.  trans53.514.5-167.4-63.60000114E19E19-C23 VanDerWaalsContact O-CA 3.23Å; E19-C23 WeakPolarHBondContact O-CA 3.44Å; E19-C23 PolarHBondContact O-N 3.3Å
24K92.2Very high90.7Very high114 Ų11472.7 Ų72.750%0.49634%0.341SS..  trans-76.2143.4177.7-68-171.8175.9-167.60110.3F18 E19 T22F18-K24 WeakPolarHBondContact CA-O 3.3Å; E19-K24 PolarHBondContact N-O 2.91Å; T22-K24 PolarHBondContact O-N 2.87Å; T22-K24 WeakPolarHBondContact OG1-CB 3.42Å; T22-K24 PolarHBondContact OG1-N 2.81Å
25K94Very high89.7Confident90 Ų9076.6 Ų76.639%0.39135%0.354SS..EExtended strand (participates in β ladder)trans-67.6145.4173.8-62-179.4-167.71680111.1L16 A17 F18 L83 E85L16-K25 HydrophobicContact CD1-CB 3.91Å; L16-K25 HydrophobicContact CD1-CD 4.15Å; L16-K25 HydrophobicContact CD1-CG 4.11Å; A17-K25 CarbonylContact O-C 3.57Å; A17-K25 WeakPolarHBondContact O-CA 3.48Å; F18-K25 HydrophobicContact CD1-CG 4.12Å; F18-K25 HydrophobicContact CE1-CG 3.65Å; F18-K25 HydrophobicContact CZ-CG 4.29Å; K25-L83 HydrophobicContact CB-CD2 3.62Å; K25-L83 HydrophobicContact CD-CD2 3.74Å; K25-L83 HydrophobicContact CG-CD2 4.34Å; K25-E85 IonicContact NZ-OE1 2.7Å; K25-E85 PolarHBondContact NZ-OE1 3.35Å
26V95.9Very high88.6Confident7 Ų776 Ų764%0.04235%0.351CS..EExtended strand (participates in β ladder)trans-142.8158.3174.4-62.60000110A17 I28 K69 V80 L81A17-V26 HydrophobicContact CB-CG2 3.86Å; A17-V26 PolarHBondContact N-O 3.21Å; A17-V26 PolarHBondContact O-N 3.26Å; V26-I28 HydrophobicContact CG2-CG1 4.4Å; V26-K69 HydrophobicContact CG1-CD 3.83Å; V26-V80 HydrophobicContact CB-CG1 3.99Å; V26-V80 HydrophobicContact CG1-CG1 4.32Å; V26-V80 HydrophobicContact CG2-CG1 3.93Å; V26-L81 WeakPolarHBondContact CB-O 3.35Å
27A95.7Very high86.9Confident10 Ų1078.9 Ų78.98%0.08338%0.379CS..EExtended strand (participates in β ladder)trans-99.1138.2168.400000109.7V14 K15 L81 L83V14-A27 HydrophobicContact CG1-CB 4.1Å; K15-A27 CarbonylContact O-C 3.59Å; A27-L81 HydrophobicContact CB-CB 4.43Å; A27-L81 PolarHBondContact N-O 3.07Å; A27-L81 VanDerWaalsContact N-O 3.15Å; A27-L81 PolarHBondContact O-N 2.8Å; A27-L83 HydrophobicContact CB-CD1 4.05Å
28I94.7Very high85.1Confident39 Ų3985 Ų8520%0.241%0.408CS..EExtended strand (participates in β ladder)trans-118.9111173.9-56.3-176000108.5V14 K15 A17 V26 I30 Y78 I79 V80V14-I28 WeakPolarHBondContact CA-O 3.32Å; K15-I28 PolarHBondContact N-O 3.13Å; K15-I28 PolarHBondContact O-N 3.48Å; A17-I28 HydrophobicContact CB-CD1 3.44Å; A17-I28 VanDerWaalsContact CB-CD1 3.44Å; A17-I28 HydrophobicContact CB-CG1 3.88Å; V26-I28 HydrophobicContact CG2-CG1 4.4Å; I28-I30 HydrophobicContact CG2-CG1 4.14Å; I28-Y78 HydrophobicContact CG2-CD1 4.11Å; I28-I79 WeakPolarHBondContact CA-O 3.12Å; I28-V80 HydrophobicContact CG1-CG2 4.29Å
29K91.3Very high83Confident16 Ų1681.3 Ų81.37%0.0741%0.405CS..EExtended strand (participates in β ladder)trans-83.7122170.9-178.4-178.5179.8-174.20108.5V14 I31 E53 I79 D148V14-K29 HydrophobicContact CG2-CB 4.35Å; V14-K29 HydrophobicContact CG2-CG 4.43Å; K29-I31 HydrophobicContact CD-CD1 4.41Å; K29-I31 HydrophobicContact CG-CG1 4.21Å; K29-E53 IonicContact NZ-OE1 2.62Å; K29-E53 PolarHBondContact NZ-OE1 3.35Å; K29-E53 IonicContact NZ-OE2 2.99Å; K29-E53 PolarHBondContact NZ-OE2 3.17Å; K29-I79 HydrophobicContact CB-CB 4.28Å; K29-I79 HydrophobicContact CD-CD1 4.4Å; K29-I79 PolarHBondContact N-O 3.43Å; K29-I79 PolarHBondContact O-N 3.45Å; K29-D148 IonicContact NZ-OD1 2.7Å; K29-D148 PolarHBondContact NZ-OD1 2.93Å
30I90.3Very high80.7Confident23 Ų2381.6 Ų81.612%0.11842%0.416CS..EExtended strand (participates in β ladder)trans-108.1117.8-178.7-50.9176.8000108.6G12 E13 K15 I28 D76 Y77 Y78G12-I30 WeakPolarHBondContact CA-O 3.28Å; E13-I30 PolarHBondContact N-O 3.45Å; E13-I30 PolarHBondContact O-N 2.7Å; K15-I30 HydrophobicContact CD-CD1 3.8Å; K15-I30 HydrophobicContact CG-CD1 4.27Å; I28-I30 HydrophobicContact CG2-CG1 4.14Å; I30-D76 HydrophobicContact CG2-CB 4.18Å; I30-Y77 WeakPolarHBondContact CA-O 3.22Å; I30-Y78 HydrophobicContact CB-CD1 4.47Å; I30-Y78 HydrophobicContact CD1-CD1 4.25Å; I30-Y78 HydrophobicContact CD1-CE1 4.02Å; I30-Y78 HydrophobicContact CG1-CD1 3.82Å; I30-Y78 HydrophobicContact CG1-CE1 3.99Å; I30-Y78 HydrophobicContact CG2-CD1 4.16Å; I30-Y78 HydrophobicContact CG2-CE1 3.82Å
31I86.3Confident78.5Confident8 Ų875.5 Ų75.54%0.04142%0.416CS..EExtended strand (participates in β ladder)trans-113113.8-179.8-53176.1000108.3K29 K33 F36 V50 Y77 I79K29-I31 HydrophobicContact CD-CD1 4.41Å; K29-I31 HydrophobicContact CG-CG1 4.21Å; I31-K33 PolarHBondContact O-N 2.96Å; I31-F36 HydrophobicContact CG2-CE1 4.34Å; I31-F36 HydrophobicContact CG2-CE2 3.94Å; I31-F36 HydrophobicContact CG2-CZ 3.39Å; I31-V50 HydrophobicContact CD1-CG1 4.28Å; I31-V50 HydrophobicContact CD1-CG2 4.01Å; I31-V50 HydrophobicContact CG2-CG2 4.12Å; I31-Y77 PolarHBondContact N-O 2.85Å; I31-Y77 PolarHBondContact O-N 3.4Å; I31-I79 HydrophobicContact CD1-CD1 3.81Å
32S85.1Confident76.3Confident27 Ų2777.6 Ų77.619%0.18942%0.419CS..  trans-77125.7-173.4-1770000112.8R34 K35 D76S32-R34 PolarHBondContact O-N 3.36Å; S32-R34 PolarHBondContact OG-N 3.06Å; S32-K35 PolarHBondContact O-N 3.35Å; S32-D76 WeakPolarHBondContact CA-OD1 3.33Å; S32-D76 WeakPolarHBondContact CB-OD1 3.41Å; S32-D76 PolarHBondContact OG-OD1 3.25Å
33K84Confident74.2Confident64 Ų6480.9 Ų80.928%0.27843%0.43SS..G310 helixtrans-65.9-28.3177.3-73-176.2-178.6174.50112.6I31 K35 F36 D73 A74 E75 D76 Y77I31-K33 PolarHBondContact O-N 2.96Å; K33-K35 VanDerWaalsContact C-N 3.27Å; K33-K35 PolarHBondContact O-N 3.01Å; K33-F36 WeakPolarHBondContact O-CB 3.2Å; K33-F36 PolarHBondContact O-N 3.22Å; K33-F36 VanDerWaalsContact O-N 3.09Å; K33-D73 WeakPolarHBondContact CE-OD1 3.43Å; K33-D73 IonicContact NZ-OD1 2.87Å; K33-D73 PolarHBondContact NZ-OD1 2.86Å; K33-D73 IonicContact NZ-OD2 3.32Å; K33-A74 PolarHBondContact NZ-O 3.42Å; K33-E75 WeakPolarHBondContact CD-O 3.44Å; K33-D76 PolarHBondContact N-OD1 3.45Å; K33-Y77 HydrophobicContact CD-CE2 4.46Å; K33-Y77 VanDerWaalsContact CE-CE1 3.43Å; K33-Y77 VanDerWaalsContact CE-CZ 3.49Å; K33-Y77 HydrophobicContact CG-CD2 4.05Å; K33-Y77 HydrophobicContact CG-CE2 3.89Å
34R75.3Confident72.4Confident167 Ų16779.3 Ų79.363%0.6343%0.425SS*.G310 helixtrans-65.7-29.5179.8-59-176.7-171.1-169.23.3112.6S32 F36 A37 E75S32-R34 PolarHBondContact O-N 3.36Å; S32-R34 PolarHBondContact OG-N 3.06Å; R34-F36 PolarHBondContact O-N 3.18Å; R34-A37 PolarHBondContact O-N 2.89Å; R34-E75 IonicContact CZ-OE1 2.82Å; R34-E75 IonicContact NE-OE1 3.99Å; R34-E75 IonicContact NH2-OE1 2.76Å; R34-E75 PolarHBondContact NH2-OE1 2.89Å
35K65.7Low70.7Confident128 Ų12878.1 Ų78.156%0.55742%0.424SS*.G310 helixtrans-63.8-24.6175.2-69.8-176.6176.4-175.90112S32 K33S32-K35 PolarHBondContact O-N 3.35Å; K33-K35 VanDerWaalsContact C-N 3.27Å; K33-K35 PolarHBondContact O-N 3.01Å
36F67.1Low69.2Low54 Ų5475.3 Ų75.324%0.23742%0.415CS..THydrogen-bonded Turntrans-83.1-26.9179.3-50.5-41.3000113I31 K33 R34 I38 G39 P46 V50 Y77I31-F36 HydrophobicContact CG2-CE1 4.34Å; I31-F36 HydrophobicContact CG2-CE2 3.94Å; I31-F36 HydrophobicContact CG2-CZ 3.39Å; K33-F36 WeakPolarHBondContact O-CB 3.2Å; K33-F36 PolarHBondContact O-N 3.22Å; K33-F36 VanDerWaalsContact O-N 3.09Å; R34-F36 PolarHBondContact O-N 3.18Å; F36-I38 PolarHBondContact O-N 3.36Å; F36-G39 PolarHBondContact O-N 2.91Å; F36-P46 HydrophobicContact CB-CB 3.9Å; F36-P46 HydrophobicContact CB-CG 4.07Å; F36-P46 HydrophobicContact CD1-CB 3.02Å; F36-P46 HydrophobicContact CD1-CG 3.74Å; F36-P46 HydrophobicContact CD2-CB 4.21Å; F36-P46 HydrophobicContact CE1-CB 3.35Å; F36-P46 HydrophobicContact CE1-CG 4.42Å; F36-P46 HydrophobicContact CE2-CB 4.49Å; F36-P46 HydrophobicContact CG-CB 3.48Å; F36-P46 VanDerWaalsContact CG-CB 3.48Å; F36-P46 HydrophobicContact CG-CG 4.15Å; F36-P46 HydrophobicContact CZ-CB 4.07Å; F36-V50 HydrophobicContact CE2-CG2 4.23Å; F36-V50 HydrophobicContact CZ-CG2 3.94Å; F36-Y77 HydrophobicContact CE2-CD2 4.09Å; F36-Y77 AromaticContact CE2-CE2 3.95Å; F36-Y77 HydrophobicContact CE2-CE2 3.95Å
37A58.4Low67.6Low90 Ų9076 Ų7674%0.74442%0.421SS*.THydrogen-bonded Turntrans-71.2-14.9178.600000114R34R34-A37 PolarHBondContact O-N 2.89Å
38I55Low66.1Low153 Ų15379.9 Ų79.979%0.78544%0.44SS*.THydrogen-bonded Turntrans-99.6-9.4-176.7-54.9171.2000111.3F36F36-I38 PolarHBondContact O-N 3.36Å
39G50.8Low65.1Low49 Ų4981.2 Ų81.251%0.50545%0.448SS..SBendtrans-75.7127.6179.600000112.6F36F36-G39 PolarHBondContact O-N 2.91Å
40S44.1Very low64.7Low88 Ų8880.7 Ų80.762%0.61545%0.446SS*.  trans-56.4144.6172.755.90000111.5R42S40-R42 PolarHBondContact O-N 3.04Å
41A46.7Very low64.4Low110 Ų11084.5 Ų84.591%0.90946%0.463SS*.THydrogen-bonded Turntrans-59.829.7-177.400000117.2
42R45.3Very low64.3Low235 Ų23585.5 Ų85.589%0.88747%0.47SS*.THydrogen-bonded Turntrans-119-8.7-174.4-68.7-174.8178.2-176.70.4114.3S40S40-R42 PolarHBondContact O-N 3.04Å
43E48.8Very low64.5Low127 Ų12784.6 Ų84.659%0.59346%0.462SS*.SBendtrans-102.7150.3171.2-70.9178.1170.800109.8D45E43-D45 PolarHBondContact O-N 3.16Å
44A52.8Low64.8Low66 Ų6681.9 Ų81.955%0.54545%0.451SS..  trans-52.5140.4171.700000109.2P46A44-P46 WeakPolarHBondContact O-CD 3.35Å
45D58Low65.5Low89 Ų8978.8 Ų78.848%0.47644%0.444SS..  trans-49.5113.7-175.8-176.5-11.8000109.5E43 A47 L48 N49E43-D45 PolarHBondContact O-N 3.16Å; D45-A47 PolarHBondContact O-N 2.89Å; D45-A47 WeakPolarHBondContact OD1-CB 3.08Å; D45-A47 PolarHBondContact OD1-N 3.29Å; D45-L48 HydrophobicContact CB-CB 4.42Å; D45-L48 HydrophobicContact CB-CD1 3.77Å; D45-L48 HydrophobicContact CB-CG 3.87Å; D45-L48 WeakPolarHBondContact O-CA 3.42Å; D45-L48 VanDerWaalsContact O-CB 3.28Å; D45-L48 WeakPolarHBondContact O-CB 3.45Å; D45-L48 PolarHBondContact O-N 3.32Å; D45-N49 PolarHBondContact O-N 2.97Å
46P61.9Low66.8Low31 Ų3172.7 Ų72.720%0.20142%0.417CS..Hα-helixtrans-58.7-22.2-176.2-27.135.4000113.7F36 A44 N49 V50F36-P46 HydrophobicContact CB-CB 3.9Å; F36-P46 HydrophobicContact CB-CG 4.07Å; F36-P46 HydrophobicContact CD1-CB 3.02Å; F36-P46 HydrophobicContact CD1-CG 3.74Å; F36-P46 HydrophobicContact CD2-CB 4.21Å; F36-P46 HydrophobicContact CE1-CB 3.35Å; F36-P46 HydrophobicContact CE1-CG 4.42Å; F36-P46 HydrophobicContact CE2-CB 4.49Å; F36-P46 HydrophobicContact CG-CB 3.48Å; F36-P46 VanDerWaalsContact CG-CB 3.48Å; F36-P46 HydrophobicContact CG-CG 4.15Å; F36-P46 HydrophobicContact CZ-CB 4.07Å; A44-P46 WeakPolarHBondContact O-CD 3.35Å; P46-N49 PolarHBondContact O-N 2.91Å; P46-V50 PolarHBondContact O-N 3.27Å
47A62.8Low68Low21 Ų2170.4 Ų70.417%0.17441%0.407CS..Hα-helixtrans-64-40170.800000112.1D45 N49 V50 E51D45-A47 PolarHBondContact O-N 2.89Å; D45-A47 WeakPolarHBondContact OD1-CB 3.08Å; D45-A47 PolarHBondContact OD1-N 3.29Å; A47-N49 VanDerWaalsContact C-N 3.26Å; A47-N49 PolarHBondContact O-N 3.45Å; A47-V50 PolarHBondContact O-N 3.09Å; A47-E51 PolarHBondContact O-N 2.69Å
48L63.3Low69.6Low92 Ų9272.9 Ų72.948%0.48240%0.401SS..Hα-helixtrans-62.9-33.4175.7-64.8172.9000111.7D45 T52D45-L48 HydrophobicContact CB-CB 4.42Å; D45-L48 HydrophobicContact CB-CD1 3.77Å; D45-L48 HydrophobicContact CB-CG 3.87Å; D45-L48 WeakPolarHBondContact O-CA 3.42Å; D45-L48 VanDerWaalsContact O-CB 3.28Å; D45-L48 WeakPolarHBondContact O-CB 3.45Å; D45-L48 PolarHBondContact O-N 3.32Å; L48-T52 VanDerWaalsContact O-CB 3.3Å; L48-T52 WeakPolarHBondContact O-CB 3.45Å; L48-T52 PolarHBondContact O-N 2.99Å; L48-T52 PolarHBondContact O-OG1 3.27Å
49N74.4Confident71.4Confident68 Ų6872 Ų7236%0.36439%0.391SS..Hα-helixtrans-66.9-38.7176.4-66.3-18.1000111.7D45 P46 A47 E53D45-N49 PolarHBondContact O-N 2.97Å; P46-N49 PolarHBondContact O-N 2.91Å; A47-N49 VanDerWaalsContact C-N 3.26Å; A47-N49 PolarHBondContact O-N 3.45Å; N49-E53 WeakPolarHBondContact O-CB 3.16Å; N49-E53 PolarHBondContact O-N 3.26Å
50V83.4Confident73.5Confident5 Ų570.3 Ų70.33%0.0337%0.371CS..Hα-helixtrans-69.7-44.3177.3-179.90000111I31 F36 P46 A47 T52 E53 I54 Y77I31-V50 HydrophobicContact CD1-CG1 4.28Å; I31-V50 HydrophobicContact CD1-CG2 4.01Å; I31-V50 HydrophobicContact CG2-CG2 4.12Å; F36-V50 HydrophobicContact CE2-CG2 4.23Å; F36-V50 HydrophobicContact CZ-CG2 3.94Å; P46-V50 PolarHBondContact O-N 3.27Å; A47-V50 PolarHBondContact O-N 3.09Å; V50-T52 VanDerWaalsContact C-N 3.3Å; V50-T52 PolarHBondContact O-N 3.15Å; V50-E53 WeakPolarHBondContact O-CB 3.46Å; V50-E53 PolarHBondContact O-N 3.35Å; V50-I54 WeakPolarHBondContact O-CG1 3.4Å; V50-I54 PolarHBondContact O-N 3.41Å; V50-Y77 HydrophobicContact CB-CD2 4.05Å; V50-Y77 HydrophobicContact CB-CE2 4.07Å; V50-Y77 HydrophobicContact CG1-CD1 4.34Å; V50-Y77 HydrophobicContact CG1-CD2 3.72Å; V50-Y77 HydrophobicContact CG1-CE2 4.14Å; V50-Y77 HydrophobicContact CG1-CG 3.83Å; V50-Y77 HydrophobicContact CG2-CD2 3.93Å; V50-Y77 HydrophobicContact CG2-CE2 4.12Å
51E83.8Confident76Confident102 Ų10271.6 Ų71.648%0.47737%0.371SS..Hα-helixtrans-58.9-44.7175.4-71.1179.7176.900111.2A47 E53 I54 E55A47-E51 PolarHBondContact O-N 2.69Å; E51-E53 PolarHBondContact O-N 3.39Å; E51-I54 PolarHBondContact O-N 3.22Å; E51-E55 WeakPolarHBondContact O-CG 3.31Å; E51-E55 PolarHBondContact O-N 2.74Å
52T83.6Confident78.5Confident30 Ų3067.8 Ų67.818%0.18433%0.334CS..Hα-helixtrans-60.4-44.3175.2-56.10000111.8L48 V50 I54 E55 I56L48-T52 VanDerWaalsContact O-CB 3.3Å; L48-T52 WeakPolarHBondContact O-CB 3.45Å; L48-T52 PolarHBondContact O-N 2.99Å; L48-T52 PolarHBondContact O-OG1 3.27Å; V50-T52 VanDerWaalsContact C-N 3.3Å; V50-T52 PolarHBondContact O-N 3.15Å; T52-I54 VanDerWaalsContact C-N 3.31Å; T52-I54 PolarHBondContact O-N 3.41Å; T52-E55 PolarHBondContact O-N 2.81Å; T52-I56 HydrophobicContact CG2-CD1 3.84Å; T52-I56 HydrophobicContact CG2-CG1 4.35Å; T52-I56 WeakPolarHBondContact O-CB 3.37Å; T52-I56 VanDerWaalsContact O-CG1 3.28Å; T52-I56 WeakPolarHBondContact O-CG1 3.21Å; T52-I56 PolarHBondContact O-N 3.01Å
53E88.8Confident81Confident7 Ų758.6 Ų58.63%0.03331%0.305CS..Hα-helixtrans-56.5-44.9175.3176172.5-162.100111.2K29 N49 V50 E51 I56 L57 F149K29-E53 IonicContact NZ-OE1 2.62Å; K29-E53 PolarHBondContact NZ-OE1 3.35Å; K29-E53 IonicContact NZ-OE2 2.99Å; K29-E53 PolarHBondContact NZ-OE2 3.17Å; N49-E53 WeakPolarHBondContact O-CB 3.16Å; N49-E53 PolarHBondContact O-N 3.26Å; V50-E53 WeakPolarHBondContact O-CB 3.46Å; V50-E53 PolarHBondContact O-N 3.35Å; E51-E53 PolarHBondContact O-N 3.39Å; E53-I56 PolarHBondContact O-N 3.22Å; E53-L57 HydrophobicContact CG-CD1 3.96Å; E53-L57 WeakPolarHBondContact O-CB 3.33Å; E53-L57 WeakPolarHBondContact O-CG 3.3Å; E53-L57 PolarHBondContact O-N 3.3Å; E53-F149 HydrophobicContact CG-CB 4.09Å
54I90.5Very high83.3Confident8 Ų852.5 Ų52.54%0.04128%0.277CS..Hα-helixtrans-66.7-42.8178.3-62.3-61.7000111.8V50 E51 T52 L57 K58 I68 F71 I79V50-I54 WeakPolarHBondContact O-CG1 3.4Å; V50-I54 PolarHBondContact O-N 3.41Å; E51-I54 PolarHBondContact O-N 3.22Å; T52-I54 VanDerWaalsContact C-N 3.31Å; T52-I54 PolarHBondContact O-N 3.41Å; I54-L57 PolarHBondContact O-N 3.46Å; I54-K58 HydrophobicContact CG2-CD 3.94Å; I54-K58 HydrophobicContact CG2-CG 4.38Å; I54-K58 WeakPolarHBondContact O-CB 3.24Å; I54-K58 VanDerWaalsContact O-CG 3.29Å; I54-K58 WeakPolarHBondContact O-CG 3.31Å; I54-K58 PolarHBondContact O-N 3.2Å; I54-I68 HydrophobicContact CD1-CD1 3.59Å; I54-I68 HydrophobicContact CG2-CD1 4.26Å; I54-F71 HydrophobicContact CD1-CB 4.25Å; I54-F71 HydrophobicContact CD1-CD2 3.43Å; I54-F71 VanDerWaalsContact CD1-CD2 3.43Å; I54-F71 HydrophobicContact CD1-CE2 3.9Å; I54-F71 HydrophobicContact CD1-CG 3.93Å; I54-F71 HydrophobicContact CG1-CD2 3.78Å; I54-F71 HydrophobicContact CG1-CE2 3.83Å; I54-F71 HydrophobicContact CG1-CG 4.17Å; I54-F71 HydrophobicContact CG1-CZ 4.27Å; I54-F71 HydrophobicContact CG2-CB 4.49Å; I54-F71 HydrophobicContact CG2-CD1 4.45Å; I54-F71 HydrophobicContact CG2-CG 4.32Å; I54-I79 HydrophobicContact CD1-CB 4.35Å; I54-I79 HydrophobicContact CD1-CD1 3.68Å; I54-I79 HydrophobicContact CD1-CG1 3.82Å; I54-I79 HydrophobicContact CD1-CG2 3.75Å
55E91Very high85.5Confident102 Ų10249.5 Ų49.548%0.47725%0.251SS..Hα-helixtrans-63-42.4177.3-73.1-163.415300112.2E51 T52 K59E51-E55 WeakPolarHBondContact O-CG 3.31Å; E51-E55 PolarHBondContact O-N 2.74Å; T52-E55 PolarHBondContact O-N 2.81Å; E55-K59 VanDerWaalsContact O-CG 3.3Å; E55-K59 WeakPolarHBondContact O-CG 3.17Å; E55-K59 PolarHBondContact O-N 3.09Å
56I91.7Very high87.4Confident0 Ų045.4 Ų45.40%023%0.23CC..Hα-helixtrans-60.6-55.5174.7-72.7173.1000109.5T52 E53 K58 K59 L60 I123 F149 I154T52-I56 HydrophobicContact CG2-CD1 3.84Å; T52-I56 HydrophobicContact CG2-CG1 4.35Å; T52-I56 WeakPolarHBondContact O-CB 3.37Å; T52-I56 VanDerWaalsContact O-CG1 3.28Å; T52-I56 WeakPolarHBondContact O-CG1 3.21Å; T52-I56 PolarHBondContact O-N 3.01Å; E53-I56 PolarHBondContact O-N 3.22Å; I56-K58 VanDerWaalsContact C-N 3.26Å; I56-K58 PolarHBondContact O-N 3.22Å; I56-K59 PolarHBondContact O-N 2.96Å; I56-L60 HydrophobicContact CG2-CD1 3.5Å; I56-L60 VanDerWaalsContact CG2-CD1 3.5Å; I56-L60 HydrophobicContact CG2-CG 4.22Å; I56-L60 VanDerWaalsContact O-CG 3.31Å; I56-L60 WeakPolarHBondContact O-CG 3.2Å; I56-L60 PolarHBondContact O-N 2.98Å; I56-L60 VanDerWaalsContact O-N 3.09Å; I56-I123 HydrophobicContact CB-CD1 4.42Å; I56-I123 HydrophobicContact CD1-CG2 4.25Å; I56-I123 HydrophobicContact CG1-CD1 4.22Å; I56-I123 HydrophobicContact CG2-CD1 3.8Å; I56-I123 HydrophobicContact CG2-CG2 4.16Å; I56-F149 HydrophobicContact CG2-CB 4.15Å; I56-F149 HydrophobicContact CG2-CD1 3.67Å; I56-F149 HydrophobicContact CG2-CE1 4.31Å; I56-F149 HydrophobicContact CG2-CG 3.98Å; I56-I154 HydrophobicContact CD1-CG1 4.17Å; I56-I154 HydrophobicContact CG1-CD1 4.17Å; I56-I154 HydrophobicContact CG1-CG1 4.09Å
57L93.3Very high89Confident6 Ų647.9 Ų47.93%0.03124%0.237CC..Hα-helixtrans-60.2-32.9-177.6-77.1171.7000113.3E53 I54 I66 I68 L81 F149E53-L57 HydrophobicContact CG-CD1 3.96Å; E53-L57 WeakPolarHBondContact O-CB 3.33Å; E53-L57 WeakPolarHBondContact O-CG 3.3Å; E53-L57 PolarHBondContact O-N 3.3Å; I54-L57 PolarHBondContact O-N 3.46Å; L57-I66 HydrophobicContact CD2-CG2 3.82Å; L57-I68 HydrophobicContact CB-CB 4.08Å; L57-I68 HydrophobicContact CB-CG2 3.92Å; L57-L81 HydrophobicContact CD1-CD2 4.42Å; L57-F149 HydrophobicContact CD2-CD2 3.52Å; L57-F149 HydrophobicContact CD2-CE2 3.75Å; L57-F149 HydrophobicContact CD2-CG 4.43Å; L57-F149 HydrophobicContact CG-CD2 4.08Å
58K92.8Very high90.5Very high142 Ų14248.4 Ų48.462%0.61724%0.236SC*.Hα-helixtrans-72.4-28.1175.8-77.4176.4177.5173.50113.6I54 I56 I68I54-K58 HydrophobicContact CG2-CD 3.94Å; I54-K58 HydrophobicContact CG2-CG 4.38Å; I54-K58 WeakPolarHBondContact O-CB 3.24Å; I54-K58 VanDerWaalsContact O-CG 3.29Å; I54-K58 WeakPolarHBondContact O-CG 3.31Å; I54-K58 PolarHBondContact O-N 3.2Å; I56-K58 VanDerWaalsContact C-N 3.26Å; I56-K58 PolarHBondContact O-N 3.22Å; K58-I68 HydrophobicContact CG-CG2 4.04Å
59K92.2Very high92Very high133 Ų13348.9 Ų48.958%0.57824%0.235SC*.Hα-helixtrans-83.9-29179.9-73.8170.5-177.6167.40112.4E55 I56E55-K59 VanDerWaalsContact O-CG 3.3Å; E55-K59 WeakPolarHBondContact O-CG 3.17Å; E55-K59 PolarHBondContact O-N 3.09Å; I56-K59 PolarHBondContact O-N 2.96Å
60L95Very high93Very high15 Ų1549.6 Ų49.68%0.07924%0.239CC..  trans-80.1133.8-176.3-65.3172.9000111.8I56 I65 Y117 L118 N121 I123 F149I56-L60 HydrophobicContact CG2-CD1 3.5Å; I56-L60 VanDerWaalsContact CG2-CD1 3.5Å; I56-L60 HydrophobicContact CG2-CG 4.22Å; I56-L60 VanDerWaalsContact O-CG 3.31Å; I56-L60 WeakPolarHBondContact O-CG 3.2Å; I56-L60 PolarHBondContact O-N 2.98Å; I56-L60 VanDerWaalsContact O-N 3.09Å; L60-I65 HydrophobicContact CB-CG2 4.4Å; L60-I65 HydrophobicContact CD1-CD1 4.35Å; L60-I65 HydrophobicContact CD1-CG2 4.17Å; L60-Y117 HydrophobicContact CB-CE1 4.21Å; L60-Y117 HydrophobicContact CD2-CD1 3.98Å; L60-Y117 HydrophobicContact CD2-CE1 3.46Å; L60-Y117 VanDerWaalsContact CD2-CE1 3.46Å; L60-Y117 HydrophobicContact CG-CE1 4.45Å; L60-L118 HydrophobicContact CD1-CD2 3.42Å; L60-L118 VanDerWaalsContact CD1-CD2 3.42Å; L60-L118 HydrophobicContact CD2-CD2 3.71Å; L60-L118 HydrophobicContact CG-CD2 4.23Å; L60-N121 HydrophobicContact CD2-CB 4.48Å; L60-I123 HydrophobicContact CD1-CD1 4.27Å; L60-I123 HydrophobicContact CD2-CD1 3.69Å; L60-I123 HydrophobicContact CG-CD1 4.04Å; L60-F149 HydrophobicContact CD1-CD1 4.35Å; L60-F149 HydrophobicContact CD1-CE1 3.82Å; L60-F149 HydrophobicContact CD1-CZ 3.94Å
61N96.1Very high93.5Very high115 Ų11551.8 Ų51.862%0.61525%0.248SC*.  trans-140.992.9172.3-17933.9000110.1Y117N61-Y117 PolarHBondContact N-OH 3.2Å; N61-Y117 PolarHBondContact O-OH 3.43Å
62H98.3Very high94Very high29 Ų2952 Ų5213%0.13425%0.248CC..  trans-145.5141.8-179.4-174.4-90.3000109.6C64 I65 Y117H62-C64 PolarHBondContact ND1-N 3.46Å; H62-C64 PolarHBondContact O-N 2.93Å; H62-I65 HydrophobicContact CB-CB 4.26Å; H62-I65 HydrophobicContact CB-CD1 3.86Å; H62-I65 HydrophobicContact CB-CG1 4.03Å; H62-I65 PolarHBondContact O-N 2.9Å; H62-Y117 HydrophobicContact CB-CD1 3.68Å; H62-Y117 HydrophobicContact CB-CD2 4.41Å; H62-Y117 HydrophobicContact CB-CE1 3.83Å; H62-Y117 HydrophobicContact CB-CG 3.96Å; H62-Y117 AromaticContact CD2-CD2 3.97Å; H62-Y117 AromaticContact CD2-CG 3.76Å
63P97.9Very high94.4Very high42 Ų4255 Ų5527%0.27326%0.262SS..THydrogen-bonded Turntrans-62.5-29.4-176.423.4-35000113.9K145 L279P63-K145 WeakPolarHBondContact O-CG 3.42Å; P63-K145 PolarHBondContact O-NZ 3.49Å; P63-L279 HydrophobicContact CB-CD2 3.44Å; P63-L279 VanDerWaalsContact CB-CD2 3.44Å; P63-L279 HydrophobicContact CG-CD2 3.98Å
64C98.6Very high94.6Very high0 Ų057.4 Ų57.40%028%0.283CS..THydrogen-bonded Turntrans-95.619.3179.6-50.70000113.8H62 Q110 A114 I144 K145 I146H62-C64 PolarHBondContact ND1-N 3.46Å; H62-C64 PolarHBondContact O-N 2.93Å; C64-Q110 HydrophobicContact CB-CB 4.44Å; C64-A114 HydrophobicContact CB-CB 3.88Å; C64-A114 WeakPolarHBondContact O-CB 3.15Å; C64-I144 VanDerWaalsContact CA-O 3.29Å; C64-I144 WeakPolarHBondContact CA-O 3.39Å; C64-I144 HydrophobicContact CB-CD1 4.28Å; C64-K145 WeakPolarHBondContact O-CA 3.28Å; C64-I146 PolarHBondContact O-N 3.48Å
65I98.5Very high94.6Very high2 Ų263 Ų631%0.0131%0.309CS..BIsolated β-bridgetrans-125.7137.2174.2-63.5177.8000108.3L60 H62 K67 A114 Y117 L118 F149L60-I65 HydrophobicContact CB-CG2 4.4Å; L60-I65 HydrophobicContact CD1-CD1 4.35Å; L60-I65 HydrophobicContact CD1-CG2 4.17Å; H62-I65 HydrophobicContact CB-CB 4.26Å; H62-I65 HydrophobicContact CB-CD1 3.86Å; H62-I65 HydrophobicContact CB-CG1 4.03Å; H62-I65 PolarHBondContact O-N 2.9Å; I65-K67 PolarHBondContact O-N 3.39Å; I65-A114 HydrophobicContact CG1-CB 4Å; I65-Y117 HydrophobicContact CD1-CD1 3.6Å; I65-Y117 HydrophobicContact CD1-CE1 4.16Å; I65-L118 HydrophobicContact CD1-CD2 3.67Å; I65-L118 HydrophobicContact CD1-CG 3.98Å; I65-F149 HydrophobicContact CG2-CE2 3.93Å; I65-F149 HydrophobicContact CG2-CZ 3.75Å
66I97.3Very high94.5Very high4 Ų459.4 Ų59.42%0.02129%0.293CS..PPolyproline II helixtrans-61.6132.7-178.9-161.372.4000111.1L57 L81 E82 M84 L134 K145 I146 F149L57-I66 HydrophobicContact CD2-CG2 3.82Å; I66-L81 HydrophobicContact CG1-CB 4.24Å; I66-L81 HydrophobicContact CG1-CD1 4.4Å; I66-E82 HydrophobicContact CD1-CG 3.41Å; I66-E82 VanDerWaalsContact CD1-CG 3.41Å; I66-E82 HydrophobicContact CG1-CG 4.11Å; I66-M84 HydrophobicContact CD1-CG 3.6Å; I66-M84 HydrophobicContact CD1-SD 4.03Å; I66-L134 HydrophobicContact CD1-CD1 4.38Å; I66-K145 HydrophobicContact CD1-CB 4.43Å; I66-K145 HydrophobicContact CD1-CD 4.25Å; I66-I146 PolarHBondContact N-O 3.36Å; I66-F149 HydrophobicContact CG2-CE2 4.48Å
67K95Very high94.5Very high82 Ų8260.1 Ų60.136%0.35730%0.296SS..PPolyproline II helixtrans-90.2130.5177.6-68.3176.4-179.4170.70111.6I65 L81 E82I65-K67 PolarHBondContact O-N 3.39Å; K67-L81 WeakPolarHBondContact O-CA 3.35Å; K67-E82 WeakPolarHBondContact CB-OE1 3.42Å; K67-E82 WeakPolarHBondContact CG-OE1 3.38Å; K67-E82 PolarHBondContact N-OE1 3.07Å; K67-E82 PolarHBondContact O-N 3.25Å; K67-E82 VanDerWaalsContact O-N 3.16Å
68I95.3Very high94.5Very high32 Ų3263 Ų6316%0.16431%0.307CS..EExtended strand (participates in β ladder)trans-76.2129.1165-169.9170.6000110.2I54 L57 K58 F71 I79 L81I54-I68 HydrophobicContact CD1-CD1 3.59Å; I54-I68 HydrophobicContact CG2-CD1 4.26Å; L57-I68 HydrophobicContact CB-CB 4.08Å; L57-I68 HydrophobicContact CB-CG2 3.92Å; K58-I68 HydrophobicContact CG-CG2 4.04Å; I68-F71 HydrophobicContact CD1-CB 4.32Å; I68-I79 HydrophobicContact CD1-CG2 3.79Å; I68-I79 HydrophobicContact CG1-CG2 4.09Å; I68-L81 HydrophobicContact CB-CD2 4.28Å; I68-L81 HydrophobicContact CG1-CD2 4.46Å
69K94.5Very high94.5Very high103 Ų10356.2 Ų56.245%0.44828%0.278SS..EExtended strand (participates in β ladder)trans-97-40175.3-68.5-173.2172.5-176.40112V26 V80V26-K69 HydrophobicContact CG1-CD 3.83Å; K69-V80 HydrophobicContact CB-CB 4.48Å; K69-V80 HydrophobicContact CB-CG1 4.14Å; K69-V80 PolarHBondContact N-O 2.69Å
70N94.8Very high94.7Very high83 Ų8350.6 Ų50.644%0.44425%0.254SS..EExtended strand (participates in β ladder)trans-159.7165.6-179.6-149.9-16.6000111.1F72 V80N70-F72 HydrophobicContact CB-CE2 4.27Å; N70-F72 WeakPolarHBondContact ND2-CZ 3.29Å; N70-V80 HydrophobicContact CB-CB 3.94Å; N70-V80 HydrophobicContact CB-CG2 3.99Å; N70-V80 PolarHBondContact N-O 3.23Å; N70-V80 PolarHBondContact O-N 3Å
71F95.1Very high94.7Very high50 Ų5050.6 Ų50.622%0.21925%0.254CS..EExtended strand (participates in β ladder)trans-141.4134.5176171-110.5000109.9I54 I68 D73 Y77 Y78 I79I54-F71 HydrophobicContact CD1-CB 4.25Å; I54-F71 HydrophobicContact CD1-CD2 3.43Å; I54-F71 VanDerWaalsContact CD1-CD2 3.43Å; I54-F71 HydrophobicContact CD1-CE2 3.9Å; I54-F71 HydrophobicContact CD1-CG 3.93Å; I54-F71 HydrophobicContact CG1-CD2 3.78Å; I54-F71 HydrophobicContact CG1-CE2 3.83Å; I54-F71 HydrophobicContact CG1-CG 4.17Å; I54-F71 HydrophobicContact CG1-CZ 4.27Å; I54-F71 HydrophobicContact CG2-CB 4.49Å; I54-F71 HydrophobicContact CG2-CD1 4.45Å; I54-F71 HydrophobicContact CG2-CG 4.32Å; I68-F71 HydrophobicContact CD1-CB 4.32Å; F71-D73 HydrophobicContact CE1-CB 3.89Å; F71-D73 HydrophobicContact CZ-CB 4.02Å; F71-Y77 AromaticContact CE2-CD1 3.93Å; F71-Y77 HydrophobicContact CE2-CD1 3.93Å; F71-Y77 HydrophobicContact CE2-CG 4.39Å; F71-Y77 AromaticContact CZ-CD1 3.61Å; F71-Y77 HydrophobicContact CZ-CD1 3.61Å; F71-Y77 HydrophobicContact CZ-CE1 4.13Å; F71-Y77 HydrophobicContact CZ-CG 4.47Å; F71-Y78 WeakPolarHBondContact CA-O 3.35Å; F71-I79 HydrophobicContact CD2-CG1 4.26Å
72F94.2Very high94.6Very high108 Ų10846.6 Ų46.647%0.47423%0.232SC..EExtended strand (participates in β ladder)trans-123.5127172.6-53.9-85.9000110.2N70 Y78 V80N70-F72 HydrophobicContact CB-CE2 4.27Å; N70-F72 WeakPolarHBondContact ND2-CZ 3.29Å; F72-Y78 HydrophobicContact CB-CD2 4.38Å; F72-Y78 PolarHBondContact N-O 3.14Å; F72-Y78 PolarHBondContact O-N 3.44Å; F72-V80 HydrophobicContact CD2-CG2 4.14Å; F72-V80 HydrophobicContact CE2-CG2 3.78Å
73D92.4Very high94.5Very high93 Ų9346.7 Ų46.750%0.49723%0.233SC..EExtended strand (participates in β ladder)trans-101.5106.6169.4-176.913.8000109.1K33 F71 Y77K33-D73 WeakPolarHBondContact CE-OD1 3.43Å; K33-D73 IonicContact NZ-OD1 2.87Å; K33-D73 PolarHBondContact NZ-OD1 2.86Å; K33-D73 IonicContact NZ-OD2 3.32Å; F71-D73 HydrophobicContact CE1-CB 3.89Å; F71-D73 HydrophobicContact CZ-CB 4.02Å; D73-Y77 HydrophobicContact CB-CD1 4.27Å; D73-Y77 HydrophobicContact CB-CE1 4.3Å; D73-Y77 WeakPolarHBondContact OD1-CD1 3.45Å; D73-Y77 WeakPolarHBondContact OD1-CE1 3.43Å
74A91.8Very high94.4Very high57 Ų5745.4 Ų45.447%0.47122%0.224SC..SBendtrans-135.7-133.9-177.400000110.5K33 D76 Y78K33-A74 PolarHBondContact NZ-O 3.42Å; A74-D76 VanDerWaalsContact C-N 3.28Å; A74-D76 CarbonylContact C-O 3.59Å; A74-D76 PolarHBondContact N-O 2.96Å; A74-D76 VanDerWaalsContact N-O 3.16Å; A74-D76 PolarHBondContact O-N 2.92Å; A74-Y78 HydrophobicContact CB-CE2 4.17Å
75E90.3Very high94.1Very high125 Ų12549.8 Ų49.858%0.58424%0.244SC*.SBendtrans-60.8-41173.4-175.3176.6-177.800111.3K33 R34K33-E75 WeakPolarHBondContact CD-O 3.44Å; R34-E75 IonicContact CZ-OE1 2.82Å; R34-E75 IonicContact NE-OE1 3.99Å; R34-E75 IonicContact NH2-OE1 2.76Å; R34-E75 PolarHBondContact NH2-OE1 2.89Å
76D90.2Very high93.9Very high26 Ų2649.9 Ų49.914%0.13925%0.245CC..SBendtrans-123.3171.5169.1-67.8-45.9000109I30 S32 K33 A74 Y78I30-D76 HydrophobicContact CG2-CB 4.18Å; S32-D76 WeakPolarHBondContact CA-OD1 3.33Å; S32-D76 WeakPolarHBondContact CB-OD1 3.41Å; S32-D76 PolarHBondContact OG-OD1 3.25Å; K33-D76 PolarHBondContact N-OD1 3.45Å; A74-D76 VanDerWaalsContact C-N 3.28Å; A74-D76 CarbonylContact C-O 3.59Å; A74-D76 PolarHBondContact N-O 2.96Å; A74-D76 VanDerWaalsContact N-O 3.16Å; A74-D76 PolarHBondContact O-N 2.92Å; D76-Y78 HydrophobicContact CB-CE2 4.14Å; D76-Y78 VanDerWaalsContact O-CD2 3.22Å; D76-Y78 WeakPolarHBondContact O-CD2 3.38Å; D76-Y78 WeakPolarHBondContact O-CE2 3.45Å
77Y90.9Very high93.6Very high16 Ų1650.9 Ų50.96%0.06326%0.257CS..EExtended strand (participates in β ladder)trans-85.6134.7171.7-63.5-61.3000110.6I30 I31 K33 F36 V50 F71 D73I30-Y77 WeakPolarHBondContact CA-O 3.22Å; I31-Y77 PolarHBondContact N-O 2.85Å; I31-Y77 PolarHBondContact O-N 3.4Å; K33-Y77 HydrophobicContact CD-CE2 4.46Å; K33-Y77 VanDerWaalsContact CE-CE1 3.43Å; K33-Y77 VanDerWaalsContact CE-CZ 3.49Å; K33-Y77 HydrophobicContact CG-CD2 4.05Å; K33-Y77 HydrophobicContact CG-CE2 3.89Å; F36-Y77 HydrophobicContact CE2-CD2 4.09Å; F36-Y77 AromaticContact CE2-CE2 3.95Å; F36-Y77 HydrophobicContact CE2-CE2 3.95Å; V50-Y77 HydrophobicContact CB-CD2 4.05Å; V50-Y77 HydrophobicContact CB-CE2 4.07Å; V50-Y77 HydrophobicContact CG1-CD1 4.34Å; V50-Y77 HydrophobicContact CG1-CD2 3.72Å; V50-Y77 HydrophobicContact CG1-CE2 4.14Å; V50-Y77 HydrophobicContact CG1-CG 3.83Å; V50-Y77 HydrophobicContact CG2-CD2 3.93Å; V50-Y77 HydrophobicContact CG2-CE2 4.12Å; F71-Y77 AromaticContact CE2-CD1 3.93Å; F71-Y77 HydrophobicContact CE2-CD1 3.93Å; F71-Y77 HydrophobicContact CE2-CG 4.39Å; F71-Y77 AromaticContact CZ-CD1 3.61Å; F71-Y77 HydrophobicContact CZ-CD1 3.61Å; F71-Y77 HydrophobicContact CZ-CE1 4.13Å; F71-Y77 HydrophobicContact CZ-CG 4.47Å; D73-Y77 HydrophobicContact CB-CD1 4.27Å; D73-Y77 HydrophobicContact CB-CE1 4.3Å; D73-Y77 WeakPolarHBondContact OD1-CD1 3.45Å; D73-Y77 WeakPolarHBondContact OD1-CE1 3.43Å
78Y93.3Very high93.5Very high66 Ų6649.8 Ų49.826%0.25925%0.253SS..EExtended strand (participates in β ladder)trans-123.7111.9178-55.9-97.2000110.3I28 I30 F71 F72 A74 D76I28-Y78 HydrophobicContact CG2-CD1 4.11Å; I30-Y78 HydrophobicContact CB-CD1 4.47Å; I30-Y78 HydrophobicContact CD1-CD1 4.25Å; I30-Y78 HydrophobicContact CD1-CE1 4.02Å; I30-Y78 HydrophobicContact CG1-CD1 3.82Å; I30-Y78 HydrophobicContact CG1-CE1 3.99Å; I30-Y78 HydrophobicContact CG2-CD1 4.16Å; I30-Y78 HydrophobicContact CG2-CE1 3.82Å; F71-Y78 WeakPolarHBondContact CA-O 3.35Å; F72-Y78 HydrophobicContact CB-CD2 4.38Å; F72-Y78 PolarHBondContact N-O 3.14Å; F72-Y78 PolarHBondContact O-N 3.44Å; A74-Y78 HydrophobicContact CB-CE2 4.17Å; D76-Y78 HydrophobicContact CB-CE2 4.14Å; D76-Y78 VanDerWaalsContact O-CD2 3.22Å; D76-Y78 WeakPolarHBondContact O-CD2 3.38Å; D76-Y78 WeakPolarHBondContact O-CE2 3.45Å
79I93.7Very high93.4Very high0 Ų048.3 Ų48.30%025%0.246CC..EExtended strand (participates in β ladder)trans-102.4114.1178.8-42-174.3000108I28 K29 I31 I54 I68 F71 L81I28-I79 WeakPolarHBondContact CA-O 3.12Å; K29-I79 HydrophobicContact CB-CB 4.28Å; K29-I79 HydrophobicContact CD-CD1 4.4Å; K29-I79 PolarHBondContact N-O 3.43Å; K29-I79 PolarHBondContact O-N 3.45Å; I31-I79 HydrophobicContact CD1-CD1 3.81Å; I54-I79 HydrophobicContact CD1-CB 4.35Å; I54-I79 HydrophobicContact CD1-CD1 3.68Å; I54-I79 HydrophobicContact CD1-CG1 3.82Å; I54-I79 HydrophobicContact CD1-CG2 3.75Å; I68-I79 HydrophobicContact CD1-CG2 3.79Å; I68-I79 HydrophobicContact CG1-CG2 4.09Å; F71-I79 HydrophobicContact CD2-CG1 4.26Å; I79-L81 HydrophobicContact CG2-CD2 3.75Å; I79-L81 HydrophobicContact CG2-CG 4.22Å
80V95.6Very high93.2Very high15 Ų1546.7 Ų46.79%0.09124%0.239CC..EExtended strand (participates in β ladder)trans-91120.2177.7-171.50000108.8V26 I28 K69 N70 F72V26-V80 HydrophobicContact CB-CG1 3.99Å; V26-V80 HydrophobicContact CG1-CG1 4.32Å; V26-V80 HydrophobicContact CG2-CG1 3.93Å; I28-V80 HydrophobicContact CG1-CG2 4.29Å; K69-V80 HydrophobicContact CB-CB 4.48Å; K69-V80 HydrophobicContact CB-CG1 4.14Å; K69-V80 PolarHBondContact N-O 2.69Å; N70-V80 HydrophobicContact CB-CB 3.94Å; N70-V80 HydrophobicContact CB-CG2 3.99Å; N70-V80 PolarHBondContact N-O 3.23Å; N70-V80 PolarHBondContact O-N 3Å; F72-V80 HydrophobicContact CD2-CG2 4.14Å; F72-V80 HydrophobicContact CE2-CG2 3.78Å
81L95.6Very high92.9Very high14 Ų1447.1 Ų47.17%0.07324%0.241CC..EExtended strand (participates in β ladder)trans-118.1162.4-176-56.6174000110.4V26 A27 L57 I66 K67 I68 I79V26-L81 WeakPolarHBondContact CB-O 3.35Å; A27-L81 HydrophobicContact CB-CB 4.43Å; A27-L81 PolarHBondContact N-O 3.07Å; A27-L81 VanDerWaalsContact N-O 3.15Å; A27-L81 PolarHBondContact O-N 2.8Å; L57-L81 HydrophobicContact CD1-CD2 4.42Å; I66-L81 HydrophobicContact CG1-CB 4.24Å; I66-L81 HydrophobicContact CG1-CD1 4.4Å; K67-L81 WeakPolarHBondContact O-CA 3.35Å; I68-L81 HydrophobicContact CB-CD2 4.28Å; I68-L81 HydrophobicContact CG1-CD2 4.46Å; I79-L81 HydrophobicContact CG2-CD2 3.75Å; I79-L81 HydrophobicContact CG2-CG 4.22Å
82E94Very high92.5Very high32 Ų3247.5 Ų47.515%0.1524%0.243CC..  trans-59.9148.6159.968-172.1137.100111.2I66 K67 K145I66-E82 HydrophobicContact CD1-CG 3.41Å; I66-E82 VanDerWaalsContact CD1-CG 3.41Å; I66-E82 HydrophobicContact CG1-CG 4.11Å; K67-E82 WeakPolarHBondContact CB-OE1 3.42Å; K67-E82 WeakPolarHBondContact CG-OE1 3.38Å; K67-E82 PolarHBondContact N-OE1 3.07Å; K67-E82 PolarHBondContact O-N 3.25Å; K67-E82 VanDerWaalsContact O-N 3.16Å; E82-K145 HydrophobicContact CG-CD 4.48Å; E82-K145 WeakPolarHBondContact OE1-CD 3.48Å; E82-K145 WeakPolarHBondContact OE1-CE 3.32Å; E82-K145 IonicContact OE1-NZ 3.64Å; E82-K145 WeakPolarHBondContact OE2-CE 3.24Å; E82-K145 IonicContact OE2-NZ 3.57Å
83L95Very high92.1Very high31 Ų3142.7 Ų42.716%0.16222%0.222CC..  trans-90.3129.9179.6179.269.6000109.4L16 K25 A27 E85L16-L83 HydrophobicContact CD1-CD1 4.43Å; L16-L83 HydrophobicContact CD1-CD2 3.69Å; K25-L83 HydrophobicContact CB-CD2 3.62Å; K25-L83 HydrophobicContact CD-CD2 3.74Å; K25-L83 HydrophobicContact CG-CD2 4.34Å; A27-L83 HydrophobicContact CB-CD1 4.05Å; L83-E85 HydrophobicContact CD2-CG 3.97Å; L83-E85 HydrophobicContact CG-CG 4.21Å
84M95.6Very high91.6Very high14 Ų1441.2 Ų41.27%0.06922%0.216CC..  trans-102.1102.9173.4-61.2-60.8-7200108.6I66 G86 G87 L134 L135 K145I66-M84 HydrophobicContact CD1-CG 3.6Å; I66-M84 HydrophobicContact CD1-SD 4.03Å; M84-G86 VanDerWaalsContact C-N 3.27Å; M84-G86 PolarHBondContact O-N 3.44Å; M84-G87 PolarHBondContact O-N 3.34Å; M84-L134 HydrophobicContact CB-CB 3.68Å; M84-L134 HydrophobicContact CB-CD1 4.07Å; M84-L134 HydrophobicContact CB-CG 4.47Å; M84-L134 HydrophobicContact CE-CB 4.19Å; M84-L134 WeakPolarHBondContact CE-O 3.48Å; M84-L134 HydrophobicContact CG-CB 3.64Å; M84-L134 HydrophobicContact CG-CD1 3.78Å; M84-L134 HydrophobicContact CG-CG 4.39Å; M84-L135 CarbonylContact C-O 3.5Å; M84-L135 WeakPolarHBondContact CB-O 3.44Å; M84-K145 HydrophobicContact CE-CB 3.76Å; M84-K145 HydrophobicContact CE-CD 3.89Å; M84-K145 HydrophobicContact CE-CG 3.58Å; M84-K145 HydrophobicContact SD-CB 4.25Å; M84-K145 HydrophobicContact SD-CD 3.6Å; M84-K145 HydrophobicContact SD-CG 4Å
85E93.4Very high90.7Very high92 Ų9241.7 Ų41.743%0.4323%0.227SC..THydrogen-bonded Turntrans-75.7-15.6-169.9-64.2-164138.600113.6K25 L83 G87 S136 Q138K25-E85 IonicContact NZ-OE1 2.7Å; K25-E85 PolarHBondContact NZ-OE1 3.35Å; L83-E85 HydrophobicContact CD2-CG 3.97Å; L83-E85 HydrophobicContact CG-CG 4.21Å; E85-G87 VanDerWaalsContact C-N 3.32Å; E85-S136 PolarHBondContact N-O 3.09Å; E85-Q138 PolarHBondContact O-NE2 3Å
86G93.1Very high89.8Confident4 Ų442.2 Ų42.24%0.04123%0.234CC..THydrogen-bonded Turntrans-77.9-11.9177.300000115.1M84 L135 S137 Q138M84-G86 VanDerWaalsContact C-N 3.27Å; M84-G86 PolarHBondContact O-N 3.44Å; G86-L135 WeakPolarHBondContact CA-O 3.49Å; G86-L135 PolarHBondContact N-O 3.49Å; G86-S137 VanDerWaalsContact CA-C 3.4Å; G86-S137 WeakPolarHBondContact CA-O 3.39Å; G86-Q138 PolarHBondContact O-NE2 3.39Å
87G92.3Very high89.4Confident26 Ų2646.9 Ų46.927%0.26825%0.253SS..EExtended strand (participates in β ladder)trans74.4-155.1-178.100000113.1M84 E85 L134 L135M84-G87 PolarHBondContact O-N 3.34Å; E85-G87 VanDerWaalsContact C-N 3.32Å; G87-L134 CarbonylContact O-C 3.59Å; G87-L134 WeakPolarHBondContact O-CA 3.43Å; G87-L135 PolarHBondContact O-N 3.22Å
88E92.7Very high89.1Confident59 Ų5951.3 Ų51.328%0.27627%0.269SS..EExtended strand (participates in β ladder)trans-86.6144-176.8-61.2177.2-16300111.4F90 D91 L134E88-F90 HydrophobicContact CB-CB 4.23Å; E88-F90 PolarHBondContact O-N 2.85Å; E88-D91 PolarHBondContact O-N 3.27Å; E88-L134 HydrophobicContact CG-CD2 3.9Å
89L93.8Very high89Confident0 Ų049.3 Ų49.30%026%0.263CS..Hα-helixtrans-60.3-30.9170.9175.663.9000111.3D91 K92 V93 L99 Y107 M111 P130 V133 I196L89-D91 VanDerWaalsContact C-N 3.25Å; L89-D91 PolarHBondContact O-N 3Å; L89-K92 HydrophobicContact CD1-CB 4.4Å; L89-K92 WeakPolarHBondContact O-CB 3.47Å; L89-K92 PolarHBondContact O-N 3.42Å; L89-V93 HydrophobicContact CD1-CG1 4.49Å; L89-V93 PolarHBondContact O-N 3.46Å; L89-L99 HydrophobicContact CD1-CD1 3.99Å; L89-Y107 HydrophobicContact CD1-CD2 3.88Å; L89-Y107 HydrophobicContact CD1-CE2 4.04Å; L89-M111 HydrophobicContact CD2-CE 3.34Å; L89-P130 WeakPolarHBondContact CB-O 3.2Å; L89-P130 HydrophobicContact CG-CB 4.45Å; L89-P130 PolarHBondContact N-O 3.02Å; L89-V133 HydrophobicContact CB-CB 3.93Å; L89-V133 HydrophobicContact CB-CG1 4.22Å; L89-V133 WeakPolarHBondContact CB-O 3.44Å; L89-V133 HydrophobicContact CD2-CB 4.06Å; L89-V133 HydrophobicContact CD2-CG1 4.11Å; L89-V133 HydrophobicContact CD2-CG2 4.43Å; L89-V133 PolarHBondContact N-O 3.23Å; L89-I196 HydrophobicContact CD2-CG2 4.26Å
90F89.1Confident89.1Confident69 Ų6955.5 Ų55.530%0.30329%0.29SS..Hα-helixtrans-49.4-45.6175.6-176.8-98.3000112.5E88 K92 V93 V94 P130 E131E88-F90 HydrophobicContact CB-CB 4.23Å; E88-F90 PolarHBondContact O-N 2.85Å; F90-K92 PolarHBondContact O-N 3.36Å; F90-V93 WeakPolarHBondContact O-CG2 3.34Å; F90-V93 PolarHBondContact O-N 2.94Å; F90-V94 HydrophobicContact CD1-CB 4.46Å; F90-V94 HydrophobicContact CE1-CB 4.09Å; F90-V94 HydrophobicContact CE1-CG2 3.91Å; F90-V94 HydrophobicContact CZ-CB 4.33Å; F90-V94 HydrophobicContact CZ-CG2 3.94Å; F90-V94 WeakPolarHBondContact O-CB 3.13Å; F90-V94 PolarHBondContact O-N 2.99Å; F90-P130 HydrophobicContact CB-CB 3.92Å; F90-P130 HydrophobicContact CD2-CB 4.25Å; F90-P130 PolarHBondContact N-O 3.08Å; F90-E131 HydrophobicContact CB-CG 3.99Å; F90-E131 HydrophobicContact CD2-CG 4.08Å; F90-E131 HydrophobicContact CG-CG 4.01Å
91D87.9Confident89.2Confident92 Ų9257.2 Ų57.249%0.49230%0.297SS..Hα-helixtrans-64.7-23.9-179.2-67.9-36.2000113.2E88 L89E88-D91 PolarHBondContact O-N 3.27Å; L89-D91 VanDerWaalsContact C-N 3.25Å; L89-D91 PolarHBondContact O-N 3Å
92K88.3Confident89.3Confident58 Ų5859.6 Ų59.625%0.25232%0.319SS..Hα-helixtrans-81.2-22.5176.2-56.4-65.4-176.51750112.8L89 F90 K97 L99 L135L89-K92 HydrophobicContact CD1-CB 4.4Å; L89-K92 WeakPolarHBondContact O-CB 3.47Å; L89-K92 PolarHBondContact O-N 3.42Å; F90-K92 PolarHBondContact O-N 3.36Å; K92-K97 WeakPolarHBondContact O-CB 3.15Å; K92-L99 HydrophobicContact CB-CD2 4.17Å; K92-L135 HydrophobicContact CD-CD1 4.24Å; K92-L135 HydrophobicContact CG-CD1 3.63Å
93V85.6Confident89.5Confident7 Ų758.2 Ų58.24%0.04231%0.313CS..Hα-helixtrans-111.7-8.4-176.4-59.90000114.2L89 F90 L99 P130 I199L89-V93 HydrophobicContact CD1-CG1 4.49Å; L89-V93 PolarHBondContact O-N 3.46Å; F90-V93 WeakPolarHBondContact O-CG2 3.34Å; F90-V93 PolarHBondContact O-N 2.94Å; V93-L99 HydrophobicContact CG1-CD1 4.21Å; V93-L99 HydrophobicContact CG1-CG 4.28Å; V93-P130 HydrophobicContact CG2-CB 4.3Å; V93-I199 HydrophobicContact CB-CG2 3.9Å; V93-I199 HydrophobicContact CG1-CG2 4.47Å; V93-I199 HydrophobicContact CG2-CG2 3.79Å
94V82.1Confident89.7Confident62 Ų6256.9 Ų56.938%0.37631%0.305SS..THydrogen-bonded Turntrans-68.3147.4177.474.90000112.3F90 K97F90-V94 HydrophobicContact CD1-CB 4.46Å; F90-V94 HydrophobicContact CE1-CB 4.09Å; F90-V94 HydrophobicContact CE1-CG2 3.91Å; F90-V94 HydrophobicContact CZ-CB 4.33Å; F90-V94 HydrophobicContact CZ-CG2 3.94Å; F90-V94 WeakPolarHBondContact O-CB 3.13Å; F90-V94 PolarHBondContact O-N 2.99Å; V94-K97 WeakPolarHBondContact O-CG 3.45Å
95G72.4Confident89.8Confident67 Ų6757.5 Ų57.569%0.69131%0.308SS*.THydrogen-bonded Turntrans75.633.8173.600000114.8K97G95-K97 PolarHBondContact O-N 2.94Å
96N70.4Confident90.1Very high137 Ų13753.2 Ų53.273%0.73329%0.288SS*.SBendtrans62.624.5-177.5-53.3-36.5000114.1G203N96-G203 WeakPolarHBondContact CA-O 3.37Å
97K83.7Confident90.3Very high124 Ų12453.2 Ų53.254%0.53929%0.287SS..PPolyproline II helixtrans-77.4126.3168.7-65.3177.5-173.2172.70108.2K92 V94 G95K92-K97 WeakPolarHBondContact O-CB 3.15Å; V94-K97 WeakPolarHBondContact O-CG 3.45Å; G95-K97 PolarHBondContact O-N 2.94Å
98R83.1Confident90.7Very high108 Ų10852.1 Ų52.141%0.40827%0.274SS..PPolyproline II helixtrans-104145.8170.568.8176.6178.9-161.5-6.9110.2E234R98-E234 IonicContact CZ-OE1 3.36Å; R98-E234 IonicContact CZ-OE2 3.27Å; R98-E234 VanDerWaalsContact CZ-OE2 3.27Å; R98-E234 VanDerWaalsContact NH1-CD 3.28Å; R98-E234 IonicContact NH1-OE1 3.02Å; R98-E234 PolarHBondContact NH1-OE1 3.45Å; R98-E234 IonicContact NH1-OE2 3.42Å; R98-E234 PolarHBondContact NH1-OE2 3.43Å; R98-E234 IonicContact NH2-OE1 2.78Å; R98-E234 PolarHBondContact NH2-OE1 3.33Å; R98-E234 IonicContact NH2-OE2 2.61Å; R98-E234 PolarHBondContact NH2-OE2 3.14Å
99L91.9Very high91Very high25 Ų2550.9 Ų50.913%0.13127%0.268CS..PPolyproline II helixtrans-83.8156.2171.9-65177.2000109.5L89 K92 V93 C104 Y107 C200L89-L99 HydrophobicContact CD1-CD1 3.99Å; K92-L99 HydrophobicContact CB-CD2 4.17Å; V93-L99 HydrophobicContact CG1-CD1 4.21Å; V93-L99 HydrophobicContact CG1-CG 4.28Å; L99-C104 VanDerWaalsContact CB-SG 3.52Å; L99-Y107 HydrophobicContact CD1-CD2 3.97Å; L99-Y107 HydrophobicContact CD1-CE2 4.06Å; L99-C200 HydrophobicContact CD1-CB 4.34Å; L99-C200 PolarHBondContact N-O 3.08Å
100K95.9Very high91.2Very high130 Ų13050.9 Ų50.957%0.56527%0.268SS*.PPolyproline II helixtrans-63.2143.8168.7-62.7175.8-168148.40108.8A102 T103 C104 E140K100-A102 PolarHBondContact O-N 3.43Å; K100-A102 VanDerWaalsContact O-N 3.14Å; K100-T103 WeakPolarHBondContact O-CA 3.36Å; K100-T103 WeakPolarHBondContact O-CB 3.48Å; K100-T103 PolarHBondContact O-N 3.37Å; K100-C104 PolarHBondContact O-N 2.77Å; K100-C104 PolarHBondContact O-SG 3.16Å; K100-C104 VanDerWaalsContact O-SG 3.4Å; K100-E140 WeakPolarHBondContact CD-OE1 3.23Å; K100-E140 IonicContact NZ-OE1 3.67Å; K100-E140 IonicContact NZ-OE2 2.73Å; K100-E140 PolarHBondContact NZ-OE2 3.41Å
101E97.6Very high91.7Very high51 Ų5147.7 Ų47.724%0.23825%0.254CS..Hα-helixtrans-56.5-35.5-179.3-172.5176.7141.500112.5T103 C104 K105 L201 S236 W265E101-T103 PolarHBondContact O-N 3.12Å; E101-C104 WeakPolarHBondContact O-CB 3.3Å; E101-C104 PolarHBondContact O-N 2.83Å; E101-K105 WeakPolarHBondContact O-CB 3.23Å; E101-K105 PolarHBondContact O-N 3.12Å; E101-L201 HydrophobicContact CG-CD2 4.04Å; E101-S236 VanDerWaalsContact OE1-CB 3.29Å; E101-S236 WeakPolarHBondContact OE1-CB 3.37Å; E101-S236 PolarHBondContact OE1-OG 3.32Å; E101-S236 WeakPolarHBondContact OE2-CB 3.28Å; E101-S236 PolarHBondContact OE2-N 3.05Å; E101-S236 PolarHBondContact OE2-OG 2.9Å; E101-W265 HydrophobicContact CG-CZ2 3.9Å; E101-W265 PolarHBondContact OE1-NE1 2.99Å
102A98Very high92.2Very high64 Ų6443.3 Ų43.353%0.52923%0.23SC..Hα-helixtrans-61-42.7174.900000112.5K100 K105 L106K100-A102 PolarHBondContact O-N 3.43Å; K100-A102 VanDerWaalsContact O-N 3.14Å; A102-K105 WeakPolarHBondContact O-CB 3.48Å; A102-K105 PolarHBondContact O-N 3.04Å; A102-L106 PolarHBondContact O-N 3.01Å
103T97.9Very high92.7Very high3 Ų342 Ų422%0.01823%0.226CC..Hα-helixtrans-67.8-44176.1-470000110.8K100 E101 K105 L106 Y107 E140K100-T103 WeakPolarHBondContact O-CA 3.36Å; K100-T103 WeakPolarHBondContact O-CB 3.48Å; K100-T103 PolarHBondContact O-N 3.37Å; E101-T103 PolarHBondContact O-N 3.12Å; T103-K105 PolarHBondContact O-N 3.05Å; T103-L106 PolarHBondContact O-N 3.06Å; T103-Y107 HydrophobicContact CG2-CD2 4.12Å; T103-Y107 HydrophobicContact CG2-CE1 4.2Å; T103-Y107 HydrophobicContact CG2-CE2 3.68Å; T103-Y107 PolarHBondContact O-N 3.45Å; T103-E140 HydrophobicContact CG2-CG 3.63Å; T103-E140 VanDerWaalsContact OG1-CD 3.28Å; T103-E140 WeakPolarHBondContact OG1-CG 3.46Å; T103-E140 PolarHBondContact OG1-OE1 2.77Å
104C98.3Very high93.3Very high2 Ų241.7 Ų41.71%0.01422%0.224CC..Hα-helixtrans-54.1-45.5171.9-63.30000111L99 K100 E101 F108 C200 L201 W265L99-C104 VanDerWaalsContact CB-SG 3.52Å; K100-C104 PolarHBondContact O-N 2.77Å; K100-C104 PolarHBondContact O-SG 3.16Å; K100-C104 VanDerWaalsContact O-SG 3.4Å; E101-C104 WeakPolarHBondContact O-CB 3.3Å; E101-C104 PolarHBondContact O-N 2.83Å; C104-F108 WeakPolarHBondContact O-CB 3.4Å; C104-F108 PolarHBondContact O-N 2.77Å; C104-C200 HydrophobicContact CB-CB 4.41Å; C104-C200 VanDerWaalsContact SG-C 3.59Å; C104-C200 PolarHBondContact SG-O 2.6Å; C104-C200 VanDerWaalsContact SG-O 3.41Å; C104-L201 HydrophobicContact CB-CD2 3.92Å; C104-W265 HydrophobicContact CB-CH2 4.24Å; C104-W265 HydrophobicContact CB-CZ2 4.46Å
105K98.7Very high94.1Very high27 Ų2738.7 Ų38.712%0.11721%0.206CC..Hα-helixtrans-63.5-47-179.7-164.9-174-62-176.90111.8E101 A102 T103 F108 Y109 W265 L266 D268 M271E101-K105 WeakPolarHBondContact O-CB 3.23Å; E101-K105 PolarHBondContact O-N 3.12Å; A102-K105 WeakPolarHBondContact O-CB 3.48Å; A102-K105 PolarHBondContact O-N 3.04Å; T103-K105 PolarHBondContact O-N 3.05Å; K105-F108 PolarHBondContact O-N 2.81Å; K105-Y109 VanDerWaalsContact O-CB 3.24Å; K105-Y109 WeakPolarHBondContact O-CB 3.16Å; K105-Y109 PolarHBondContact O-N 2.9Å; K105-W265 VanDerWaalsContact CA-CH2 3.45Å; K105-W265 HydrophobicContact CB-CH2 3.83Å; K105-W265 HydrophobicContact CB-CZ2 3.76Å; K105-W265 HydrophobicContact CB-CZ3 4.39Å; K105-W265 WeakPolarHBondContact CD-O 3.44Å; K105-W265 WeakPolarHBondContact CE-O 3.48Å; K105-W265 HydrophobicContact CG-CD2 4.35Å; K105-W265 HydrophobicContact CG-CE3 4.32Å; K105-W265 HydrophobicContact CG-CH2 4.16Å; K105-W265 HydrophobicContact CG-CZ2 4.13Å; K105-W265 HydrophobicContact CG-CZ3 4.25Å; K105-W265 PolarHBondContact NZ-O 2.96Å; K105-L266 HydrophobicContact CG-CD2 3.72Å; K105-D268 HydrophobicContact CD-CB 3.84Å; K105-D268 WeakPolarHBondContact CD-OD2 3.38Å; K105-D268 IonicContact NZ-OD2 2.76Å; K105-D268 PolarHBondContact NZ-OD2 3.28Å; K105-M271 HydrophobicContact CB-CG 4.47Å; K105-M271 HydrophobicContact CD-CB 4.27Å; K105-M271 HydrophobicContact CD-CE 4.45Å; K105-M271 HydrophobicContact CD-CG 4.2Å; K105-M271 HydrophobicContact CG-CE 4.28Å; K105-M271 HydrophobicContact CG-CG 4.14Å
106L98.8Very high95.3Very high2 Ų237.5 Ų37.51%0.0118%0.182CC..Hα-helixtrans-59.7-48177.6177.863.7000111.8A102 T103 Q110 D141 M271 K274 F275 L278A102-L106 PolarHBondContact O-N 3.01Å; T103-L106 PolarHBondContact O-N 3.06Å; L106-Q110 WeakPolarHBondContact O-CG 3.39Å; L106-Q110 PolarHBondContact O-N 3.37Å; L106-Q110 PolarHBondContact O-NE2 3.36Å; L106-D141 HydrophobicContact CD2-CB 4.33Å; L106-M271 HydrophobicContact CB-CG 4.19Å; L106-M271 HydrophobicContact CD1-CG 4.31Å; L106-M271 HydrophobicContact CD1-SD 4.28Å; L106-K274 HydrophobicContact CD2-CD 3.87Å; L106-K274 HydrophobicContact CD2-CG 4.44Å; L106-F275 HydrophobicContact CD1-CB 4.05Å; L106-L278 HydrophobicContact CD2-CD1 4.22Å
107Y98.8Very high96.7Very high4 Ų433.3 Ų33.32%0.01616%0.157CC..Hα-helixtrans-68-44.8179.7-67.5-8.6000111.6L89 L99 T103 Y109 Q110 M111 L135 E140 C142 I144L89-Y107 HydrophobicContact CD1-CD2 3.88Å; L89-Y107 HydrophobicContact CD1-CE2 4.04Å; L99-Y107 HydrophobicContact CD1-CD2 3.97Å; L99-Y107 HydrophobicContact CD1-CE2 4.06Å; T103-Y107 HydrophobicContact CG2-CD2 4.12Å; T103-Y107 HydrophobicContact CG2-CE1 4.2Å; T103-Y107 HydrophobicContact CG2-CE2 3.68Å; T103-Y107 PolarHBondContact O-N 3.45Å; Y107-Y109 PolarHBondContact O-N 3.26Å; Y107-Q110 PolarHBondContact O-N 2.71Å; Y107-M111 WeakPolarHBondContact O-CG 3.38Å; Y107-M111 PolarHBondContact O-N 2.91Å; Y107-L135 HydrophobicContact CD2-CD2 4.48Å; Y107-L135 HydrophobicContact CE1-CD2 4.34Å; Y107-L135 HydrophobicContact CE2-CD2 3.96Å; Y107-E140 PolarHBondContact OH-O 3.42Å; Y107-C142 PolarHBondContact OH-SG 3.36Å; Y107-C142 VanDerWaalsContact OH-SG 3.36Å; Y107-I144 HydrophobicContact CD1-CG2 3.58Å; Y107-I144 HydrophobicContact CE1-CG2 4.02Å; Y107-I144 HydrophobicContact CG-CG2 3.89Å
108F98.9Very high97.3Very high3 Ų327.4 Ų27.41%0.01313%0.131CC..Hα-helixtrans-67.2-36.6-177.6-165.4-108.5000112.7C104 K105 Q110 M111 L112 L193 L197 L242 L246 W265C104-F108 WeakPolarHBondContact O-CB 3.4Å; C104-F108 PolarHBondContact O-N 2.77Å; K105-F108 PolarHBondContact O-N 2.81Å; F108-Q110 VanDerWaalsContact C-N 3.33Å; F108-Q110 PolarHBondContact O-N 2.86Å; F108-M111 HydrophobicContact CD2-SD 4.05Å; F108-M111 PolarHBondContact O-N 2.99Å; F108-L112 HydrophobicContact CD1-CD1 3.72Å; F108-L112 HydrophobicContact CD1-CG 4.14Å; F108-L112 HydrophobicContact CE1-CD1 3.54Å; F108-L112 HydrophobicContact CE1-CD2 4.21Å; F108-L112 HydrophobicContact CE1-CG 3.84Å; F108-L112 HydrophobicContact CZ-CD1 4.39Å; F108-L112 HydrophobicContact CZ-CD2 4.31Å; F108-L112 HydrophobicContact CZ-CG 4.23Å; F108-L112 WeakPolarHBondContact O-CG 3.14Å; F108-L112 PolarHBondContact O-N 3.28Å; F108-L193 HydrophobicContact CE2-CB 3.81Å; F108-L193 HydrophobicContact CE2-CD2 4.06Å; F108-L193 HydrophobicContact CE2-CG 4.46Å; F108-L193 VanDerWaalsContact CE2-O 3.3Å; F108-L193 WeakPolarHBondContact CE2-O 3.49Å; F108-L193 HydrophobicContact CZ-CB 3.97Å; F108-L197 HydrophobicContact CB-CD1 4.19Å; F108-L197 HydrophobicContact CD1-CD1 4.3Å; F108-L197 HydrophobicContact CD1-CD2 4.05Å; F108-L197 HydrophobicContact CD2-CB 3.89Å; F108-L197 HydrophobicContact CD2-CD1 4.1Å; F108-L197 HydrophobicContact CD2-CG 4.37Å; F108-L197 HydrophobicContact CE1-CD2 3.81Å; F108-L197 HydrophobicContact CE2-CB 3.7Å; F108-L197 HydrophobicContact CE2-CD2 4.33Å; F108-L197 HydrophobicContact CE2-CG 4.42Å; F108-L197 HydrophobicContact CG-CB 4.48Å; F108-L197 HydrophobicContact CG-CD1 3.93Å; F108-L197 HydrophobicContact CG-CD2 4.38Å; F108-L197 HydrophobicContact CG-CG 4.48Å; F108-L197 HydrophobicContact CZ-CB 4.11Å; F108-L197 HydrophobicContact CZ-CD2 3.97Å; F108-L242 HydrophobicContact CD1-CD2 4.22Å; F108-L242 HydrophobicContact CE1-CD2 3.86Å; F108-L246 HydrophobicContact CE1-CD1 3.98Å; F108-L246 HydrophobicContact CZ-CD1 3.53Å; F108-W265 HydrophobicContact CB-CZ3 4.21Å; F108-W265 AromaticContact CD1-CZ3 3.91Å; F108-W265 HydrophobicContact CD1-CZ3 3.91Å; F108-W265 HydrophobicContact CG-CZ3 4.36Å
109Y98.9Very high97.9Very high34 Ų3422.5 Ų22.513%0.13311%0.113CC..Hα-helixtrans-57.1-47.4172.5178.9-111.1000111.6K105 Y107 L112 L113 L261 L266 M271 K272 F275K105-Y109 VanDerWaalsContact O-CB 3.24Å; K105-Y109 WeakPolarHBondContact O-CB 3.16Å; K105-Y109 PolarHBondContact O-N 2.9Å; Y107-Y109 PolarHBondContact O-N 3.26Å; Y109-L112 WeakPolarHBondContact O-CB 2.79Å; Y109-L112 PolarHBondContact O-N 3.15Å; Y109-L113 HydrophobicContact CD1-CD1 4.04Å; Y109-L113 HydrophobicContact CE1-CD1 3.52Å; Y109-L113 HydrophobicContact CE1-CG 4.29Å; Y109-L113 HydrophobicContact CE2-CG 4.49Å; Y109-L113 WeakPolarHBondContact O-CG 3.39Å; Y109-L113 PolarHBondContact O-N 2.78Å; Y109-L261 HydrophobicContact CD2-CD2 3.67Å; Y109-L261 HydrophobicContact CE2-CD2 3.61Å; Y109-L266 HydrophobicContact CD2-CD2 4.44Å; Y109-M271 HydrophobicContact CD1-CE 4Å; Y109-M271 HydrophobicContact CD1-SD 3.66Å; Y109-M271 HydrophobicContact CD2-CE 3.77Å; Y109-M271 HydrophobicContact CD2-SD 4.49Å; Y109-M271 HydrophobicContact CE1-SD 4.45Å; Y109-M271 HydrophobicContact CE2-CE 4.4Å; Y109-M271 HydrophobicContact CG-CE 3.54Å; Y109-M271 HydrophobicContact CG-SD 3.69Å; Y109-K272 HydrophobicContact CE1-CG 4.49Å; Y109-F275 HydrophobicContact CD1-CD1 4.27Å; Y109-F275 HydrophobicContact CD1-CG 4.43Å; Y109-F275 AromaticContact CE1-CD1 3.71Å; Y109-F275 HydrophobicContact CE1-CD1 3.71Å; Y109-F275 HydrophobicContact CE1-CE1 4.16Å; Y109-F275 HydrophobicContact CE1-CG 4.28Å
110Q98.9Very high98.1Very high0 Ų026.9 Ų26.90%013%0.132CC..Hα-helixtrans-65.1-39.3177.8-67.2177.569.900112.7C64 L106 Y107 F108 L112 L113 A114 C142 L143 I144 F275C64-Q110 HydrophobicContact CB-CB 4.44Å; L106-Q110 WeakPolarHBondContact O-CG 3.39Å; L106-Q110 PolarHBondContact O-N 3.37Å; L106-Q110 PolarHBondContact O-NE2 3.36Å; Y107-Q110 PolarHBondContact O-N 2.71Å; F108-Q110 VanDerWaalsContact C-N 3.33Å; F108-Q110 PolarHBondContact O-N 2.86Å; Q110-L112 VanDerWaalsContact C-N 3.33Å; Q110-L112 PolarHBondContact O-N 3.15Å; Q110-L113 PolarHBondContact O-N 3.14Å; Q110-A114 WeakPolarHBondContact O-CB 3.19Å; Q110-A114 PolarHBondContact O-N 3.35Å; Q110-C142 PolarHBondContact NE2-O 3.44Å; Q110-L143 VanDerWaalsContact OE1-CA 3.28Å; Q110-I144 HydrophobicContact CB-CD1 3.87Å; Q110-I144 HydrophobicContact CB-CG1 3.4Å; Q110-I144 VanDerWaalsContact CB-CG1 3.4Å; Q110-I144 HydrophobicContact CG-CG1 4.32Å; Q110-F275 HydrophobicContact CG-CD2 3.58Å; Q110-F275 HydrophobicContact CG-CE2 3.57Å; Q110-F275 HydrophobicContact CG-CG 4.39Å; Q110-F275 HydrophobicContact CG-CZ 4.36Å
111M98.9Very high98.1Very high2 Ų224.7 Ų24.71%0.0113%0.127CC..Hα-helixtrans-61.2-43.2174-65.8170.7-163.600111.2L89 Y107 F108 A114 V115 V133 I144 I146 L193 I196L89-M111 HydrophobicContact CD2-CE 3.34Å; Y107-M111 WeakPolarHBondContact O-CG 3.38Å; Y107-M111 PolarHBondContact O-N 2.91Å; F108-M111 HydrophobicContact CD2-SD 4.05Å; F108-M111 PolarHBondContact O-N 2.99Å; M111-A114 PolarHBondContact O-N 3.04Å; M111-V115 WeakPolarHBondContact O-CB 3.43Å; M111-V115 VanDerWaalsContact O-CG2 3.31Å; M111-V115 WeakPolarHBondContact O-CG2 3.48Å; M111-V115 PolarHBondContact O-N 2.99Å; M111-V133 HydrophobicContact CE-CB 4.43Å; M111-V133 HydrophobicContact CE-CG1 3.84Å; M111-V133 HydrophobicContact CE-CG2 4.12Å; M111-I144 HydrophobicContact CG-CD1 3.88Å; M111-I144 HydrophobicContact CG-CG1 4.47Å; M111-I146 HydrophobicContact CG-CD1 4.24Å; M111-L193 HydrophobicContact CB-CD2 3.74Å; M111-L193 HydrophobicContact SD-CD2 4.23Å; M111-I196 HydrophobicContact CE-CG2 3.98Å; M111-I196 HydrophobicContact SD-CG2 3.95Å
112L98.9Very high97.8Very high0 Ų023.1 Ų23.10%012%0.124CC..Hα-helixtrans-62.5-43.1177-77.1170.4000112.2F108 Y109 Q110 V115 Q116 L193 T257 A260 L261 L266F108-L112 HydrophobicContact CD1-CD1 3.72Å; F108-L112 HydrophobicContact CD1-CG 4.14Å; F108-L112 HydrophobicContact CE1-CD1 3.54Å; F108-L112 HydrophobicContact CE1-CD2 4.21Å; F108-L112 HydrophobicContact CE1-CG 3.84Å; F108-L112 HydrophobicContact CZ-CD1 4.39Å; F108-L112 HydrophobicContact CZ-CD2 4.31Å; F108-L112 HydrophobicContact CZ-CG 4.23Å; F108-L112 WeakPolarHBondContact O-CG 3.14Å; F108-L112 PolarHBondContact O-N 3.28Å; Y109-L112 WeakPolarHBondContact O-CB 2.79Å; Y109-L112 PolarHBondContact O-N 3.15Å; Q110-L112 VanDerWaalsContact C-N 3.33Å; Q110-L112 PolarHBondContact O-N 3.15Å; L112-V115 PolarHBondContact O-N 3.18Å; L112-Q116 WeakPolarHBondContact O-CB 3.45Å; L112-Q116 PolarHBondContact O-N 2.95Å; L112-L193 HydrophobicContact CD2-CD1 3.89Å; L112-T257 HydrophobicContact CD2-CG2 4.02Å; L112-A260 HydrophobicContact CD1-CB 3.9Å; L112-A260 HydrophobicContact CD2-CB 3.67Å; L112-A260 HydrophobicContact CG-CB 4.47Å; L112-L261 HydrophobicContact CB-CD1 4.44Å; L112-L261 HydrophobicContact CB-CD2 3.74Å; L112-L261 HydrophobicContact CB-CG 3.93Å; L112-L261 HydrophobicContact CD1-CD2 4.13Å; L112-L261 HydrophobicContact CD1-CG 4.25Å; L112-L266 HydrophobicContact CD1-CD1 3.25Å
113L98.9Very high97.5Very high30 Ų3020.4 Ų20.416%0.15710%0.101CC..Hα-helixtrans-61.2-45174.9-67.8177.8000111.6Y109 Q110 Y117 L261 F275Y109-L113 HydrophobicContact CD1-CD1 4.04Å; Y109-L113 HydrophobicContact CE1-CD1 3.52Å; Y109-L113 HydrophobicContact CE1-CG 4.29Å; Y109-L113 HydrophobicContact CE2-CG 4.49Å; Y109-L113 WeakPolarHBondContact O-CG 3.39Å; Y109-L113 PolarHBondContact O-N 2.78Å; Q110-L113 PolarHBondContact O-N 3.14Å; L113-Y117 WeakPolarHBondContact O-CB 3.38Å; L113-Y117 PolarHBondContact O-N 2.88Å; L113-L261 HydrophobicContact CD2-CD1 4.16Å; L113-L261 HydrophobicContact CD2-CD2 4.1Å; L113-L261 HydrophobicContact CG-CD2 4.43Å; L113-F275 HydrophobicContact CD1-CD1 4.39Å; L113-F275 HydrophobicContact CD1-CE1 3.6Å; L113-F275 HydrophobicContact CD1-CZ 3.93Å
114A98.8Very high97.2Very high0 Ų020.3 Ų20.30%010%0.1CC..Hα-helixtrans-60.1-49.617700000111.7C64 I65 Q110 M111 Y117 L118 I146C64-A114 HydrophobicContact CB-CB 3.88Å; C64-A114 WeakPolarHBondContact O-CB 3.15Å; I65-A114 HydrophobicContact CG1-CB 4Å; Q110-A114 WeakPolarHBondContact O-CB 3.19Å; Q110-A114 PolarHBondContact O-N 3.35Å; M111-A114 PolarHBondContact O-N 3.04Å; A114-Y117 WeakPolarHBondContact O-CB 3.46Å; A114-Y117 PolarHBondContact O-N 2.61Å; A114-L118 WeakPolarHBondContact O-CG 3.49Å; A114-L118 PolarHBondContact O-N 2.82Å; A114-I146 HydrophobicContact CB-CG1 3.69Å
115V98.6Very high96.9Very high0 Ų020.2 Ų20.20%010%0.099CC..Hα-helixtrans-69.9-38.2-177.51770000111.1M111 L112 Y117 L118 H119 L128 D189 L193 T257M111-V115 WeakPolarHBondContact O-CB 3.43Å; M111-V115 VanDerWaalsContact O-CG2 3.31Å; M111-V115 WeakPolarHBondContact O-CG2 3.48Å; M111-V115 PolarHBondContact O-N 2.99Å; L112-V115 PolarHBondContact O-N 3.18Å; V115-Y117 VanDerWaalsContact C-N 3.32Å; V115-Y117 PolarHBondContact O-N 3.27Å; V115-L118 WeakPolarHBondContact O-CB 3.31Å; V115-L118 PolarHBondContact O-N 2.98Å; V115-H119 WeakPolarHBondContact CG1-NE2 3.48Å; V115-H119 WeakPolarHBondContact O-CB 3.5Å; V115-H119 PolarHBondContact O-CD2 3.45Å; V115-H119 PolarHBondContact O-N 3.28Å; V115-L128 HydrophobicContact CG2-CD1 3.69Å; V115-L128 HydrophobicContact CG2-CD2 4.46Å; V115-D189 HydrophobicContact CG1-CB 3.92Å; V115-L193 HydrophobicContact CB-CD1 4.14Å; V115-L193 HydrophobicContact CG1-CD1 4.18Å; V115-L193 HydrophobicContact CG2-CD1 4.06Å; V115-L193 HydrophobicContact CG2-CD2 4.36Å; V115-L193 HydrophobicContact CG2-CG 4.49Å; V115-T257 HydrophobicContact CB-CG2 4.02Å; V115-T257 HydrophobicContact CG1-CG2 3.72Å
116Q98.6Very high96.4Very high42 Ų4222 Ų2220%0.19611%0.105CC..Hα-helixtrans-55.6-48.8170.7-176.8-170.38.600110.7L112 L118 H119 E120 L261L112-Q116 WeakPolarHBondContact O-CB 3.45Å; L112-Q116 PolarHBondContact O-N 2.95Å; Q116-L118 PolarHBondContact O-N 2.98Å; Q116-H119 WeakPolarHBondContact O-CB 3.46Å; Q116-H119 PolarHBondContact O-N 2.86Å; Q116-E120 HydrophobicContact CG-CG 4.38Å; Q116-E120 WeakPolarHBondContact CG-OE1 3.2Å; Q116-E120 PolarHBondContact NE2-OE1 3.04Å; Q116-E120 WeakPolarHBondContact O-CB 3.34Å; Q116-E120 WeakPolarHBondContact O-CG 3.24Å; Q116-E120 PolarHBondContact O-N 3.05Å; Q116-L261 HydrophobicContact CB-CD1 4.45Å
117Y98.6Very high96Very high49 Ų4922.2 Ų22.219%0.19211%0.107CC..Hα-helixtrans-60.4-43.4178.1177.4-95.8000112.4L60 N61 H62 I65 L113 A114 V115 H119 E120 N121L60-Y117 HydrophobicContact CB-CE1 4.21Å; L60-Y117 HydrophobicContact CD2-CD1 3.98Å; L60-Y117 HydrophobicContact CD2-CE1 3.46Å; L60-Y117 VanDerWaalsContact CD2-CE1 3.46Å; L60-Y117 HydrophobicContact CG-CE1 4.45Å; N61-Y117 PolarHBondContact N-OH 3.2Å; N61-Y117 PolarHBondContact O-OH 3.43Å; H62-Y117 HydrophobicContact CB-CD1 3.68Å; H62-Y117 HydrophobicContact CB-CD2 4.41Å; H62-Y117 HydrophobicContact CB-CE1 3.83Å; H62-Y117 HydrophobicContact CB-CG 3.96Å; H62-Y117 AromaticContact CD2-CD2 3.97Å; H62-Y117 AromaticContact CD2-CG 3.76Å; I65-Y117 HydrophobicContact CD1-CD1 3.6Å; I65-Y117 HydrophobicContact CD1-CE1 4.16Å; L113-Y117 WeakPolarHBondContact O-CB 3.38Å; L113-Y117 PolarHBondContact O-N 2.88Å; A114-Y117 WeakPolarHBondContact O-CB 3.46Å; A114-Y117 PolarHBondContact O-N 2.61Å; V115-Y117 VanDerWaalsContact C-N 3.32Å; V115-Y117 PolarHBondContact O-N 3.27Å; Y117-H119 VanDerWaalsContact C-N 3.31Å; Y117-H119 PolarHBondContact O-N 3.32Å; Y117-E120 PolarHBondContact O-N 2.95Å; Y117-N121 VanDerWaalsContact CE2-ND2 3.35Å; Y117-N121 WeakPolarHBondContact CE2-ND2 3.45Å; Y117-N121 PolarHBondContact O-N 3.2Å; Y117-N121 PolarHBondContact O-ND2 2.89Å
118L97.1Very high95.7Very high0 Ų022.1 Ų22.10%011%0.106CC..Hα-helixtrans-56.3-50.5174.4-68.6178.3000111.1L60 I65 A114 V115 Q116 E120 N121 G122 I123 H125 F149L60-L118 HydrophobicContact CD1-CD2 3.42Å; L60-L118 VanDerWaalsContact CD1-CD2 3.42Å; L60-L118 HydrophobicContact CD2-CD2 3.71Å; L60-L118 HydrophobicContact CG-CD2 4.23Å; I65-L118 HydrophobicContact CD1-CD2 3.67Å; I65-L118 HydrophobicContact CD1-CG 3.98Å; A114-L118 WeakPolarHBondContact O-CG 3.49Å; A114-L118 PolarHBondContact O-N 2.82Å; V115-L118 WeakPolarHBondContact O-CB 3.31Å; V115-L118 PolarHBondContact O-N 2.98Å; Q116-L118 PolarHBondContact O-N 2.98Å; L118-E120 PolarHBondContact O-N 3.13Å; L118-N121 CarbonylContact O-C 3.57Å; L118-N121 WeakPolarHBondContact O-CA 3.49Å; L118-N121 PolarHBondContact O-N 3.2Å; L118-N121 VanDerWaalsContact O-N 3.07Å; L118-G122 PolarHBondContact O-N 3.18Å; L118-G122 VanDerWaalsContact O-N 3.15Å; L118-I123 CarbonylContact C-O 3.57Å; L118-I123 VanDerWaalsContact C-O 3.23Å; L118-I123 HydrophobicContact CB-CB 4.36Å; L118-I123 HydrophobicContact CD2-CB 4.35Å; L118-I123 HydrophobicContact CD2-CG2 4.2Å; L118-I123 PolarHBondContact O-N 3.13Å; L118-H125 HydrophobicContact CD1-CB 4.13Å; L118-F149 HydrophobicContact CD1-CE1 3.81Å; L118-F149 HydrophobicContact CD1-CZ 4.33Å; L118-F149 HydrophobicContact CD2-CE1 3.52Å; L118-F149 HydrophobicContact CD2-CZ 4.05Å; L118-F149 HydrophobicContact CG-CE1 4.32Å
119H95.6Very high95.4Very high5 Ų522.9 Ų22.92%0.02311%0.11CC..Hα-helixtrans-62.7-39.2-176.8-86.9-157.6000112.6V115 Q116 Y117 N121 G122 I123 R186 D189V115-H119 WeakPolarHBondContact CG1-NE2 3.48Å; V115-H119 WeakPolarHBondContact O-CB 3.5Å; V115-H119 PolarHBondContact O-CD2 3.45Å; V115-H119 PolarHBondContact O-N 3.28Å; Q116-H119 WeakPolarHBondContact O-CB 3.46Å; Q116-H119 PolarHBondContact O-N 2.86Å; Y117-H119 VanDerWaalsContact C-N 3.31Å; Y117-H119 PolarHBondContact O-N 3.32Å; H119-N121 VanDerWaalsContact C-N 3.34Å; H119-G122 PolarHBondContact O-N 3.44Å; H119-I123 PolarHBondContact CD2-O 2.97Å; H119-I123 PolarHBondContact N-O 2.87Å; H119-R186 VanDerWaalsContact CB-NE 3.3Å; H119-R186 VanDerWaalsContact CB-NH2 3.3Å; H119-R186 PolarHBondContact CE1-O 3.32Å; H119-R186 PolarHBondContact ND1-NE 2.93Å; H119-R186 PolarHBondContact O-NH1 3.3Å; H119-R186 PolarHBondContact O-NH2 3Å; H119-D189 IonicContact CD2-OD2 2.69Å; H119-D189 IonicContact CE1-OD2 3.64Å; H119-D189 IonicContact NE2-OD2 3.95Å; H119-D189 PolarHBondContact NE2-OD2 3.09Å
120E95.9Very high95.1Very high117 Ų11721.3 Ų21.355%0.54710%0.104SC..Hα-helixtrans-66.5-33.2172.2-74.1172.8179.600112.6Q116 Y117 L118 G122Q116-E120 HydrophobicContact CG-CG 4.38Å; Q116-E120 WeakPolarHBondContact CG-OE1 3.2Å; Q116-E120 PolarHBondContact NE2-OE1 3.04Å; Q116-E120 WeakPolarHBondContact O-CB 3.34Å; Q116-E120 WeakPolarHBondContact O-CG 3.24Å; Q116-E120 PolarHBondContact O-N 3.05Å; Y117-E120 PolarHBondContact O-N 2.95Å; L118-E120 PolarHBondContact O-N 3.13Å; E120-G122 PolarHBondContact O-N 3.25Å
121N94.8Very high94.7Very high83 Ų8323.5 Ų23.544%0.44411%0.114SC..THydrogen-bonded Turntrans-8510.1174.3-73.9-85.8000113.2L60 Y117 L118 H119 I123L60-N121 HydrophobicContact CD2-CB 4.48Å; Y117-N121 VanDerWaalsContact CE2-ND2 3.35Å; Y117-N121 WeakPolarHBondContact CE2-ND2 3.45Å; Y117-N121 PolarHBondContact O-N 3.2Å; Y117-N121 PolarHBondContact O-ND2 2.89Å; L118-N121 CarbonylContact O-C 3.57Å; L118-N121 WeakPolarHBondContact O-CA 3.49Å; L118-N121 PolarHBondContact O-N 3.2Å; L118-N121 VanDerWaalsContact O-N 3.07Å; H119-N121 VanDerWaalsContact C-N 3.34Å; N121-I123 VanDerWaalsContact C-N 3.3Å; N121-I123 PolarHBondContact O-N 3.12Å
122G91.8Very high94.5Very high18 Ų1823.9 Ų23.919%0.18612%0.116CC..THydrogen-bonded Turntrans68.626.4178.500000113.8L118 H119 E120 I154 L155L118-G122 PolarHBondContact O-N 3.18Å; L118-G122 VanDerWaalsContact O-N 3.15Å; H119-G122 PolarHBondContact O-N 3.44Å; E120-G122 PolarHBondContact O-N 3.25Å; G122-I154 CarbonylContact O-C 3.38Å; G122-L155 WeakPolarHBondContact O-CB 3.44Å; G122-L155 WeakPolarHBondContact O-CG 3.31Å; G122-L155 PolarHBondContact O-N 2.88Å
123I91.9Very high94.5Very high7 Ų723.9 Ų23.94%0.03612%0.116CC..EExtended strand (participates in β ladder)trans-111.5141.6178.9-58.6174.8000109.3I56 L60 L118 H119 N121I56-I123 HydrophobicContact CB-CD1 4.42Å; I56-I123 HydrophobicContact CD1-CG2 4.25Å; I56-I123 HydrophobicContact CG1-CD1 4.22Å; I56-I123 HydrophobicContact CG2-CD1 3.8Å; I56-I123 HydrophobicContact CG2-CG2 4.16Å; L60-I123 HydrophobicContact CD1-CD1 4.27Å; L60-I123 HydrophobicContact CD2-CD1 3.69Å; L60-I123 HydrophobicContact CG-CD1 4.04Å; L118-I123 CarbonylContact C-O 3.57Å; L118-I123 VanDerWaalsContact C-O 3.23Å; L118-I123 HydrophobicContact CB-CB 4.36Å; L118-I123 HydrophobicContact CD2-CB 4.35Å; L118-I123 HydrophobicContact CD2-CG2 4.2Å; L118-I123 PolarHBondContact O-N 3.13Å; H119-I123 PolarHBondContact CD2-O 2.97Å; H119-I123 PolarHBondContact N-O 2.87Å; N121-I123 VanDerWaalsContact C-N 3.3Å; N121-I123 PolarHBondContact O-N 3.12Å
124I91.6Very high94.4Very high1 Ų123.9 Ų23.91%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-126.1127.5178.6-55.3177.6000107.6R126 S152 K153 L155 N185 R186 V188 D189I124-R126 HydrophobicContact CB-CG 4.31Å; I124-R126 HydrophobicContact CG2-CG 3.65Å; I124-S152 CarbonylContact O-C 3.23Å; I124-S152 WeakPolarHBondContact O-CA 3.31Å; I124-S152 VanDerWaalsContact O-CB 3.31Å; I124-S152 WeakPolarHBondContact O-CB 3.29Å; I124-K153 PolarHBondContact N-O 3.46Å; I124-K153 PolarHBondContact O-N 3.46Å; I124-L155 HydrophobicContact CD1-CD1 4.29Å; I124-L155 HydrophobicContact CD1-CD2 3.44Å; I124-L155 VanDerWaalsContact CD1-CD2 3.44Å; I124-L155 HydrophobicContact CD1-CG 3.88Å; I124-L155 HydrophobicContact CG1-CD2 4.32Å; I124-L155 HydrophobicContact CG1-CG 4.25Å; I124-N185 HydrophobicContact CD1-CB 3.09Å; I124-N185 HydrophobicContact CG1-CB 4.49Å; I124-N185 WeakPolarHBondContact CG2-O 3.21Å; I124-R186 HydrophobicContact CD1-CG 3.81Å; I124-R186 HydrophobicContact CG1-CG 3.94Å; I124-V188 HydrophobicContact CG2-CG2 4.27Å; I124-D189 WeakPolarHBondContact CG2-OD2 3.35Å
125H92.5Very high94.3Very high0 Ų023.9 Ų23.90%012%0.116CC..  trans-72.9-47.3-170.5-169.1-81000112.1L118 D127 L128 T147 D148 F149 S152 D189L118-H125 HydrophobicContact CD1-CB 4.13Å; H125-D127 PolarHBondContact CE1-O 3.28Å; H125-D127 VanDerWaalsContact ND1-C 3.32Å; H125-D127 PolarHBondContact ND1-N 2.87Å; H125-D127 PolarHBondContact O-N 3.29Å; H125-L128 HydrophobicContact CB-CD1 4.39Å; H125-L128 HydrophobicContact CB-CD2 4.06Å; H125-L128 HydrophobicContact CB-CG 3.88Å; H125-L128 PolarHBondContact ND1-N 3.16Å; H125-T147 PolarHBondContact NE2-O 2.82Å; H125-D148 PolarHBondContact CE1-O 3.04Å; H125-D148 PolarHBondContact NE2-O 2.82Å; H125-F149 AromaticContact CD2-CD1 3.93Å; H125-F149 AromaticContact CD2-CE1 3.66Å; H125-S152 WeakPolarHBondContact CA-OG 3.46Å; H125-S152 WeakPolarHBondContact O-CA 3.38Å; H125-S152 PolarHBondContact O-OG 3.26Å; H125-S152 VanDerWaalsContact O-OG 3.12Å; H125-D189 PolarHBondContact N-OD1 2.69Å; H125-D189 PolarHBondContact N-OD2 3.36Å
126R88.6Confident94.2Very high65 Ų6525.6 Ų25.625%0.24513%0.128CC..SBendtrans68.1-14.5176.7-57.8177.958.8-146.9-1.8117.4I124 H151 V188 D189I124-R126 HydrophobicContact CB-CG 4.31Å; I124-R126 HydrophobicContact CG2-CG 3.65Å; R126-H151 WeakPolarHBondContact CD-O 3.43Å; R126-H151 PolarHBondContact NH1-O 2.82Å; R126-V188 HydrophobicContact CG-CG2 4.49Å; R126-D189 PolarHBondContact N-OD1 3.46Å
127D88.8Confident94Very high7 Ų725.2 Ų25.24%0.03713%0.13CC..  trans-13046.3175.7-164.834.6000111.9H125 K129 N132 H151H125-D127 PolarHBondContact CE1-O 3.28Å; H125-D127 VanDerWaalsContact ND1-C 3.32Å; H125-D127 PolarHBondContact ND1-N 2.87Å; H125-D127 PolarHBondContact O-N 3.29Å; D127-K129 PolarHBondContact O-N 3.47Å; D127-K129 IonicContact OD1-NZ 3.54Å; D127-K129 PolarHBondContact OD1-NZ 3.26Å; D127-K129 IonicContact OD2-NZ 3.94Å; D127-K129 PolarHBondContact OD2-NZ 3.37Å; D127-N132 PolarHBondContact O-ND2 3.04Å; D127-N132 PolarHBondContact OD2-ND2 3.19Å; D127-H151 HydrophobicContact CB-CB 4.12Å; D127-H151 IonicContact OD2-CE1 3.69Å; D127-H151 IonicContact OD2-ND1 3.44Å; D127-H151 PolarHBondContact OD2-ND1 2.91Å
128L94.1Very high93.7Very high1 Ų128.7 Ų28.71%0.00515%0.148CC..  trans-72.7124.1174.4-71174000110.1V115 H125 I146 D189 S192 L193 I196V115-L128 HydrophobicContact CG2-CD1 3.69Å; V115-L128 HydrophobicContact CG2-CD2 4.46Å; H125-L128 HydrophobicContact CB-CD1 4.39Å; H125-L128 HydrophobicContact CB-CD2 4.06Å; H125-L128 HydrophobicContact CB-CG 3.88Å; H125-L128 PolarHBondContact ND1-N 3.16Å; L128-I146 HydrophobicContact CD2-CD1 4.34Å; L128-I146 HydrophobicContact CD2-CG2 3.88Å; L128-D189 HydrophobicContact CD1-CB 3.69Å; L128-S192 WeakPolarHBondContact O-CB 3.33Å; L128-L193 HydrophobicContact CD1-CD2 4.33Å; L128-L193 HydrophobicContact CD1-CG 4.11Å; L128-I196 HydrophobicContact CB-CD1 4.22Å
129K91.8Very high93.6Very high20 Ų2035 Ų359%0.08718%0.178CC..  trans-158.6161.4178.761.5-171.7-177.6-142.40109.4D127 E131 N132 Y170D127-K129 PolarHBondContact O-N 3.47Å; D127-K129 IonicContact OD1-NZ 3.54Å; D127-K129 PolarHBondContact OD1-NZ 3.26Å; D127-K129 IonicContact OD2-NZ 3.94Å; D127-K129 PolarHBondContact OD2-NZ 3.37Å; K129-E131 VanDerWaalsContact CB-OE2 3.3Å; K129-E131 WeakPolarHBondContact CB-OE2 3.32Å; K129-E131 HydrophobicContact CD-CB 4.35Å; K129-E131 HydrophobicContact CG-CB 4.13Å; K129-E131 VanDerWaalsContact CG-OE2 3.24Å; K129-E131 WeakPolarHBondContact CG-OE2 3.48Å; K129-E131 PolarHBondContact O-N 3.05Å; K129-E131 VanDerWaalsContact O-N 3.14Å; K129-N132 WeakPolarHBondContact CE-ND2 3.49Å; K129-N132 HydrophobicContact CG-CB 4.14Å; K129-N132 PolarHBondContact O-N 2.94Å; K129-Y170 HydrophobicContact CB-CD1 4.35Å; K129-Y170 HydrophobicContact CB-CD2 4.01Å; K129-Y170 HydrophobicContact CB-CE1 4.36Å; K129-Y170 HydrophobicContact CB-CE2 3.98Å; K129-Y170 HydrophobicContact CB-CG 4.19Å
130P92.7Very high93.5Very high1 Ų138.3 Ų38.31%0.00619%0.193CC..G310 helixtrans-55.3-29.7-178.9-26.836.1000114.6L89 F90 V93 N132 V133 Y170 I196L89-P130 WeakPolarHBondContact CB-O 3.2Å; L89-P130 HydrophobicContact CG-CB 4.45Å; L89-P130 PolarHBondContact N-O 3.02Å; F90-P130 HydrophobicContact CB-CB 3.92Å; F90-P130 HydrophobicContact CD2-CB 4.25Å; F90-P130 PolarHBondContact N-O 3.08Å; V93-P130 HydrophobicContact CG2-CB 4.3Å; P130-N132 VanDerWaalsContact C-N 3.26Å; P130-N132 PolarHBondContact O-N 2.79Å; P130-V133 PolarHBondContact O-N 3.04Å; P130-Y170 VanDerWaalsContact CD-CE1 3.46Å; P130-Y170 VanDerWaalsContact CD-CZ 3.47Å; P130-Y170 VanDerWaalsContact CD-OH 3.25Å; P130-Y170 WeakPolarHBondContact CD-OH 3.4Å; P130-Y170 HydrophobicContact CG-CE1 4.21Å; P130-I196 HydrophobicContact CG-CG1 4.36Å
131E91.1Very high93.5Very high45 Ų4535.8 Ų35.821%0.2118%0.183CC..G310 helixtrans-65.9-29.4175.9-55.492.5130.600112.1F90 K129 V133F90-E131 HydrophobicContact CB-CG 3.99Å; F90-E131 HydrophobicContact CD2-CG 4.08Å; F90-E131 HydrophobicContact CG-CG 4.01Å; K129-E131 VanDerWaalsContact CB-OE2 3.3Å; K129-E131 WeakPolarHBondContact CB-OE2 3.32Å; K129-E131 HydrophobicContact CD-CB 4.35Å; K129-E131 HydrophobicContact CG-CB 4.13Å; K129-E131 VanDerWaalsContact CG-OE2 3.24Å; K129-E131 WeakPolarHBondContact CG-OE2 3.48Å; K129-E131 PolarHBondContact O-N 3.05Å; K129-E131 VanDerWaalsContact O-N 3.14Å; E131-V133 VanDerWaalsContact C-N 3.33Å
132N94.8Very high93.7Very high10 Ų1031.9 Ų31.95%0.05316%0.162CC..G310 helixtrans-94.413.3-179.7-71-10.2000112.8D127 K129 P130 T147D127-N132 PolarHBondContact O-ND2 3.04Å; D127-N132 PolarHBondContact OD2-ND2 3.19Å; K129-N132 WeakPolarHBondContact CE-ND2 3.49Å; K129-N132 HydrophobicContact CG-CB 4.14Å; K129-N132 PolarHBondContact O-N 2.94Å; P130-N132 VanDerWaalsContact C-N 3.26Å; P130-N132 PolarHBondContact O-N 2.79Å; N132-T147 HydrophobicContact CB-CG2 4.48Å; N132-T147 PolarHBondContact O-N 3.31Å; N132-T147 VanDerWaalsContact O-N 3.08Å
133V97.4Very high94Very high0 Ų031.2 Ų31.20%016%0.155CC..EExtended strand (participates in β ladder)trans-116.9112.3170.7-174.70000108.7L89 M111 P130 E131 I144 I146L89-V133 HydrophobicContact CB-CB 3.93Å; L89-V133 HydrophobicContact CB-CG1 4.22Å; L89-V133 WeakPolarHBondContact CB-O 3.44Å; L89-V133 HydrophobicContact CD2-CB 4.06Å; L89-V133 HydrophobicContact CD2-CG1 4.11Å; L89-V133 HydrophobicContact CD2-CG2 4.43Å; L89-V133 PolarHBondContact N-O 3.23Å; M111-V133 HydrophobicContact CE-CB 4.43Å; M111-V133 HydrophobicContact CE-CG1 3.84Å; M111-V133 HydrophobicContact CE-CG2 4.12Å; P130-V133 PolarHBondContact O-N 3.04Å; E131-V133 VanDerWaalsContact C-N 3.33Å; V133-I144 HydrophobicContact CG1-CB 3.91Å; V133-I144 HydrophobicContact CG1-CD1 4.14Å; V133-I144 HydrophobicContact CG1-CG1 4.37Å; V133-I144 HydrophobicContact CG1-CG2 4.39Å; V133-I146 HydrophobicContact CB-CD1 4.49Å; V133-I146 HydrophobicContact CG1-CD1 4.41Å; V133-I146 HydrophobicContact CG2-CD1 3.75Å
134L97.3Very high94.3Very high31 Ų3130.9 Ų30.916%0.16215%0.153CC..EExtended strand (participates in β ladder)trans-101145.8-178.2-57-178.6000111.4I66 M84 G87 E88 I144 K145 T147I66-L134 HydrophobicContact CD1-CD1 4.38Å; M84-L134 HydrophobicContact CB-CB 3.68Å; M84-L134 HydrophobicContact CB-CD1 4.07Å; M84-L134 HydrophobicContact CB-CG 4.47Å; M84-L134 HydrophobicContact CE-CB 4.19Å; M84-L134 WeakPolarHBondContact CE-O 3.48Å; M84-L134 HydrophobicContact CG-CB 3.64Å; M84-L134 HydrophobicContact CG-CD1 3.78Å; M84-L134 HydrophobicContact CG-CG 4.39Å; G87-L134 CarbonylContact O-C 3.59Å; G87-L134 WeakPolarHBondContact O-CA 3.43Å; E88-L134 HydrophobicContact CG-CD2 3.9Å; L134-I144 CarbonylContact O-C 3.49Å; L134-I144 WeakPolarHBondContact O-CA 3.44Å; L134-K145 PolarHBondContact N-O 2.74Å; L134-K145 PolarHBondContact O-N 2.76Å; L134-T147 HydrophobicContact CD1-CG2 3.77Å; L134-T147 HydrophobicContact CD2-CG2 4.29Å; L134-T147 HydrophobicContact CG-CG2 3.73Å
135L97.6Very high94.6Very high0 Ų030.9 Ų30.90%015%0.153CC..EExtended strand (participates in β ladder)trans-103135.4-179-56.3-180000110.7M84 G86 G87 K92 Y107 S137 I144M84-L135 CarbonylContact C-O 3.5Å; M84-L135 WeakPolarHBondContact CB-O 3.44Å; G86-L135 WeakPolarHBondContact CA-O 3.49Å; G86-L135 PolarHBondContact N-O 3.49Å; G87-L135 PolarHBondContact O-N 3.22Å; K92-L135 HydrophobicContact CD-CD1 4.24Å; K92-L135 HydrophobicContact CG-CD1 3.63Å; Y107-L135 HydrophobicContact CD2-CD2 4.48Å; Y107-L135 HydrophobicContact CE1-CD2 4.34Å; Y107-L135 HydrophobicContact CE2-CD2 3.96Å; L135-S137 VanDerWaalsContact C-N 3.33Å; L135-S137 PolarHBondContact O-N 2.95Å; L135-I144 HydrophobicContact CD2-CG2 3.59Å
136S96.1Very high94.9Very high35 Ų3530.9 Ų30.925%0.24515%0.153CC..SBendtrans-70.8-30.2-174.667.50000112.6E85 L143E85-S136 PolarHBondContact N-O 3.09Å; S136-L143 WeakPolarHBondContact CB-O 3.31Å; S136-L143 PolarHBondContact N-O 2.85Å; S136-L143 PolarHBondContact OG-N 3.15Å; S136-L143 VanDerWaalsContact OG-N 3.14Å; S136-L143 PolarHBondContact OG-O 2.9Å
137S94.9Very high95.2Very high35 Ų3528.6 Ų28.625%0.24515%0.146CC..SBendtrans-143.4173-179.277.80000111.9G86 L135 E139 C142G86-S137 VanDerWaalsContact CA-C 3.4Å; G86-S137 WeakPolarHBondContact CA-O 3.39Å; L135-S137 VanDerWaalsContact C-N 3.33Å; L135-S137 PolarHBondContact O-N 2.95Å; S137-E139 VanDerWaalsContact C-N 3.25Å; S137-E139 PolarHBondContact OG-N 3.37Å; S137-C142 WeakPolarHBondContact OG-CB 3.46Å
138Q92.3Very high95.2Very high121 Ų12129.2 Ų29.257%0.56515%0.149SC*.SBendtrans-78.3-11.1176.1-68.5-62.4-25.900113.6E85 G86E85-Q138 PolarHBondContact O-NE2 3Å; G86-Q138 PolarHBondContact O-NE2 3.39Å
139E94.3Very high95Very high134 Ų13429.2 Ų29.263%0.62615%0.149SC*.SBendtrans-67.4153.9178.1-61.9-58.314800111.6S137S137-E139 VanDerWaalsContact C-N 3.25Å; S137-E139 PolarHBondContact OG-N 3.37Å
140E93.1Very high94.7Very high74 Ų7428.9 Ų28.935%0.34615%0.151SC..SBendtrans-69.7-38.1178.8-172174.2-168.800111.8K100 T103 Y107K100-E140 WeakPolarHBondContact CD-OE1 3.23Å; K100-E140 IonicContact NZ-OE1 3.67Å; K100-E140 IonicContact NZ-OE2 2.73Å; K100-E140 PolarHBondContact NZ-OE2 3.41Å; T103-E140 HydrophobicContact CG2-CG 3.63Å; T103-E140 VanDerWaalsContact OG1-CD 3.28Å; T103-E140 WeakPolarHBondContact OG1-CG 3.46Å; T103-E140 PolarHBondContact OG1-OE1 2.77Å; Y107-E140 PolarHBondContact OH-O 3.42Å
141D96.4Very high94.1Very high64 Ų6431.2 Ų31.234%0.34216%0.162SC..SBendtrans-9499.8173.6-69.3-42.2000108.9L106 K274L106-D141 HydrophobicContact CD2-CB 4.33Å; D141-K274 HydrophobicContact CB-CD 4.07Å; D141-K274 WeakPolarHBondContact OD1-CD 3.38Å; D141-K274 IonicContact OD1-NZ 3.85Å; D141-K274 PolarHBondContact OD1-NZ 3.45Å; D141-K274 WeakPolarHBondContact OD2-CE 3.38Å; D141-K274 IonicContact OD2-NZ 3.77Å; D141-K274 PolarHBondContact OD2-NZ 2.78Å
142C97.8Very high93.9Very high1 Ų129.7 Ų29.71%0.00716%0.156CC..  trans-145.5169.9179.471.20000112.7Y107 Q110 S137Y107-C142 PolarHBondContact OH-SG 3.36Å; Y107-C142 VanDerWaalsContact OH-SG 3.36Å; Q110-C142 PolarHBondContact NE2-O 3.44Å; S137-C142 WeakPolarHBondContact OG-CB 3.46Å
143L98.6Very high93.3Very high4 Ų430.1 Ų30.12%0.02116%0.158CC..  trans-78.5143.2172.5-65.2175.1000109.9Q110 S136 F275 L278 L279 E282Q110-L143 VanDerWaalsContact OE1-CA 3.28Å; S136-L143 WeakPolarHBondContact CB-O 3.31Å; S136-L143 PolarHBondContact N-O 2.85Å; S136-L143 PolarHBondContact OG-N 3.15Å; S136-L143 VanDerWaalsContact OG-N 3.14Å; S136-L143 PolarHBondContact OG-O 2.9Å; L143-F275 HydrophobicContact CD2-CD2 3.81Å; L143-F275 HydrophobicContact CD2-CE2 3.72Å; L143-L278 HydrophobicContact CD2-CB 3.75Å; L143-L278 HydrophobicContact CG-CB 4Å; L143-L279 HydrophobicContact CD1-CD2 4.12Å; L143-L279 HydrophobicContact CD2-CD2 3.93Å; L143-L279 HydrophobicContact CD2-CG 4.34Å; L143-E282 HydrophobicContact CD1-CB 3.79Å; L143-E282 VanDerWaalsContact CD1-CD 3.49Å; L143-E282 HydrophobicContact CD1-CG 4.14Å
144I98.6Very high92.6Very high0 Ų031.7 Ų31.70%017%0.166CC..EExtended strand (participates in β ladder)trans-105.8150.2170.271.387.3000109.8C64 Y107 Q110 M111 V133 L134 L135 I146C64-I144 VanDerWaalsContact CA-O 3.29Å; C64-I144 WeakPolarHBondContact CA-O 3.39Å; C64-I144 HydrophobicContact CB-CD1 4.28Å; Y107-I144 HydrophobicContact CD1-CG2 3.58Å; Y107-I144 HydrophobicContact CE1-CG2 4.02Å; Y107-I144 HydrophobicContact CG-CG2 3.89Å; Q110-I144 HydrophobicContact CB-CD1 3.87Å; Q110-I144 HydrophobicContact CB-CG1 3.4Å; Q110-I144 VanDerWaalsContact CB-CG1 3.4Å; Q110-I144 HydrophobicContact CG-CG1 4.32Å; M111-I144 HydrophobicContact CG-CD1 3.88Å; M111-I144 HydrophobicContact CG-CG1 4.47Å; V133-I144 HydrophobicContact CG1-CB 3.91Å; V133-I144 HydrophobicContact CG1-CD1 4.14Å; V133-I144 HydrophobicContact CG1-CG1 4.37Å; V133-I144 HydrophobicContact CG1-CG2 4.39Å; L134-I144 CarbonylContact O-C 3.49Å; L134-I144 WeakPolarHBondContact O-CA 3.44Å; L135-I144 HydrophobicContact CD2-CG2 3.59Å; I144-I146 HydrophobicContact CD1-CD1 4.15Å; I144-I146 HydrophobicContact CD1-CG1 4.47Å
145K98.6Very high91.6Very high0 Ų033.4 Ų33.40%018%0.175CC..EExtended strand (participates in β ladder)trans-131.7131.6167.9-60.4-174.1-158.1-85.20111P63 C64 I66 E82 M84 L134 E282P63-K145 WeakPolarHBondContact O-CG 3.42Å; P63-K145 PolarHBondContact O-NZ 3.49Å; C64-K145 WeakPolarHBondContact O-CA 3.28Å; I66-K145 HydrophobicContact CD1-CB 4.43Å; I66-K145 HydrophobicContact CD1-CD 4.25Å; E82-K145 HydrophobicContact CG-CD 4.48Å; E82-K145 WeakPolarHBondContact OE1-CD 3.48Å; E82-K145 WeakPolarHBondContact OE1-CE 3.32Å; E82-K145 IonicContact OE1-NZ 3.64Å; E82-K145 WeakPolarHBondContact OE2-CE 3.24Å; E82-K145 IonicContact OE2-NZ 3.57Å; M84-K145 HydrophobicContact CE-CB 3.76Å; M84-K145 HydrophobicContact CE-CD 3.89Å; M84-K145 HydrophobicContact CE-CG 3.58Å; M84-K145 HydrophobicContact SD-CB 4.25Å; M84-K145 HydrophobicContact SD-CD 3.6Å; M84-K145 HydrophobicContact SD-CG 4Å; L134-K145 PolarHBondContact N-O 2.74Å; L134-K145 PolarHBondContact O-N 2.76Å; K145-E282 WeakPolarHBondContact CE-OE1 2.84Å; K145-E282 IonicContact NZ-OE1 3.55Å; K145-E282 PolarHBondContact NZ-OE1 2.91Å; K145-E282 IonicContact NZ-OE2 2.87Å; K145-E282 PolarHBondContact NZ-OE2 3.47Å
146I98.4Very high90.1Very high1 Ų137 Ų371%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-73.5137.6170.8-55.5-56.6000109.3C64 I66 M111 A114 L128 V133 I144 F149C64-I146 PolarHBondContact O-N 3.48Å; I66-I146 PolarHBondContact N-O 3.36Å; M111-I146 HydrophobicContact CG-CD1 4.24Å; A114-I146 HydrophobicContact CB-CG1 3.69Å; L128-I146 HydrophobicContact CD2-CD1 4.34Å; L128-I146 HydrophobicContact CD2-CG2 3.88Å; V133-I146 HydrophobicContact CB-CD1 4.49Å; V133-I146 HydrophobicContact CG1-CD1 4.41Å; V133-I146 HydrophobicContact CG2-CD1 3.75Å; I144-I146 HydrophobicContact CD1-CD1 4.15Å; I144-I146 HydrophobicContact CD1-CG1 4.47Å; I146-F149 HydrophobicContact CG2-CZ 4.32Å
147T95.1Very high88.4Confident17 Ų1739.7 Ų39.710%0.10422%0.221CC..  trans-135.6175.5-178.7-167.10000111.6H125 N132 L134H125-T147 PolarHBondContact NE2-O 2.82Å; N132-T147 HydrophobicContact CB-CG2 4.48Å; N132-T147 PolarHBondContact O-N 3.31Å; N132-T147 VanDerWaalsContact O-N 3.08Å; L134-T147 HydrophobicContact CD1-CG2 3.77Å; L134-T147 HydrophobicContact CD2-CG2 4.29Å; L134-T147 HydrophobicContact CG-CG2 3.73Å
148D89.3Confident86.1Confident19 Ų1945.2 Ų45.210%0.10225%0.253CS..  trans64.976.9175.3-159.412.2000115.2K29 H125 G150K29-D148 IonicContact NZ-OD1 2.7Å; K29-D148 PolarHBondContact NZ-OD1 2.93Å; H125-D148 PolarHBondContact CE1-O 3.04Å; H125-D148 PolarHBondContact NE2-O 2.82Å; D148-G150 VanDerWaalsContact C-N 3.3Å; D148-G150 PolarHBondContact O-N 3.48Å
149F90.1Very high84Confident2 Ų242.5 Ų42.51%0.00925%0.247CC..  trans-90.112.6-179.6-67.5-95.5000113.3E53 I56 L57 L60 I65 I66 L118 H125 I146 H151 S152E53-F149 HydrophobicContact CG-CB 4.09Å; I56-F149 HydrophobicContact CG2-CB 4.15Å; I56-F149 HydrophobicContact CG2-CD1 3.67Å; I56-F149 HydrophobicContact CG2-CE1 4.31Å; I56-F149 HydrophobicContact CG2-CG 3.98Å; L57-F149 HydrophobicContact CD2-CD2 3.52Å; L57-F149 HydrophobicContact CD2-CE2 3.75Å; L57-F149 HydrophobicContact CD2-CG 4.43Å; L57-F149 HydrophobicContact CG-CD2 4.08Å; L60-F149 HydrophobicContact CD1-CD1 4.35Å; L60-F149 HydrophobicContact CD1-CE1 3.82Å; L60-F149 HydrophobicContact CD1-CZ 3.94Å; I65-F149 HydrophobicContact CG2-CE2 3.93Å; I65-F149 HydrophobicContact CG2-CZ 3.75Å; I66-F149 HydrophobicContact CG2-CE2 4.48Å; L118-F149 HydrophobicContact CD1-CE1 3.81Å; L118-F149 HydrophobicContact CD1-CZ 4.33Å; L118-F149 HydrophobicContact CD2-CE1 3.52Å; L118-F149 HydrophobicContact CD2-CZ 4.05Å; L118-F149 HydrophobicContact CG-CE1 4.32Å; H125-F149 AromaticContact CD2-CD1 3.93Å; H125-F149 AromaticContact CD2-CE1 3.66Å; I146-F149 HydrophobicContact CG2-CZ 4.32Å; F149-H151 PolarHBondContact O-N 2.76Å; F149-H151 VanDerWaalsContact O-N 3.14Å; F149-S152 WeakPolarHBondContact CA-OG 3.44Å; F149-S152 VanDerWaalsContact CD1-OG 3.3Å; F149-S152 WeakPolarHBondContact CD1-OG 3.44Å; F149-S152 VanDerWaalsContact O-CB 3.24Å; F149-S152 WeakPolarHBondContact O-CB 3.41Å; F149-S152 PolarHBondContact O-N 3.13Å; F149-S152 PolarHBondContact O-OG 3.17Å
150G83.9Confident81.7Confident12 Ų1241.3 Ų41.312%0.12425%0.245CC..THydrogen-bonded Turntrans-63.1-19.8-176.700000114.9D148D148-G150 VanDerWaalsContact C-N 3.3Å; D148-G150 PolarHBondContact O-N 3.48Å
151H81.7Confident79.6Confident51 Ų5139.9 Ų39.924%0.23624%0.238CC..THydrogen-bonded Turntrans-106.3-0.4175.2-61159.5000113.4R126 D127 F149R126-H151 WeakPolarHBondContact CD-O 3.43Å; R126-H151 PolarHBondContact NH1-O 2.82Å; D127-H151 HydrophobicContact CB-CB 4.12Å; D127-H151 IonicContact OD2-CE1 3.69Å; D127-H151 IonicContact OD2-ND1 3.44Å; D127-H151 PolarHBondContact OD2-ND1 2.91Å; F149-H151 PolarHBondContact O-N 2.76Å; F149-H151 VanDerWaalsContact O-N 3.14Å
152S85.3Confident77.2Confident13 Ų1346.3 Ų46.39%0.09126%0.258CS..  trans-68.4160.3-176.3-63.70000112I124 H125 F149I124-S152 CarbonylContact O-C 3.23Å; I124-S152 WeakPolarHBondContact O-CA 3.31Å; I124-S152 VanDerWaalsContact O-CB 3.31Å; I124-S152 WeakPolarHBondContact O-CB 3.29Å; H125-S152 WeakPolarHBondContact CA-OG 3.46Å; H125-S152 WeakPolarHBondContact O-CA 3.38Å; H125-S152 PolarHBondContact O-OG 3.26Å; H125-S152 VanDerWaalsContact O-OG 3.12Å; F149-S152 WeakPolarHBondContact CA-OG 3.44Å; F149-S152 VanDerWaalsContact CD1-OG 3.3Å; F149-S152 WeakPolarHBondContact CD1-OG 3.44Å; F149-S152 VanDerWaalsContact O-CB 3.24Å; F149-S152 WeakPolarHBondContact O-CB 3.41Å; F149-S152 PolarHBondContact O-N 3.13Å; F149-S152 PolarHBondContact O-OG 3.17Å
153K82.6Confident74.6Confident18 Ų1849 Ų498%0.07827%0.274CS..EExtended strand (participates in β ladder)trans-136.8138.5-179.6176.6166.4175157.30111.3I124 E157 S159 M161I124-K153 PolarHBondContact N-O 3.46Å; I124-K153 PolarHBondContact O-N 3.46Å; K153-E157 VanDerWaalsContact CE-O 3.29Å; K153-E157 WeakPolarHBondContact CE-O 3.38Å; K153-E157 PolarHBondContact NZ-O 3.31Å; K153-S159 WeakPolarHBondContact CE-OG 3.43Å; K153-S159 PolarHBondContact NZ-O 3.08Å; K153-S159 PolarHBondContact NZ-OG 2.95Å; K153-M161 HydrophobicContact CD-CE 4.2Å
154I83.8Confident72.1Confident33 Ų3354.8 Ų54.817%0.16931%0.305CS..EExtended strand (participates in β ladder)trans-84.6128.4169.7-56.5173.5000108.9I56 G122 E157I56-I154 HydrophobicContact CD1-CG1 4.17Å; I56-I154 HydrophobicContact CG1-CD1 4.17Å; I56-I154 HydrophobicContact CG1-CG1 4.09Å; G122-I154 CarbonylContact O-C 3.38Å; I154-E157 PolarHBondContact O-N 3.48Å
155L76.3Confident69.4Low68 Ų6856.7 Ų56.736%0.35632%0.318SS..THydrogen-bonded Turntrans-65.6134.2174.8-74.5-179.2000110.1G122 I124 R186G122-L155 WeakPolarHBondContact O-CB 3.44Å; G122-L155 WeakPolarHBondContact O-CG 3.31Å; G122-L155 PolarHBondContact O-N 2.88Å; I124-L155 HydrophobicContact CD1-CD1 4.29Å; I124-L155 HydrophobicContact CD1-CD2 3.44Å; I124-L155 VanDerWaalsContact CD1-CD2 3.44Å; I124-L155 HydrophobicContact CD1-CG 3.88Å; I124-L155 HydrophobicContact CG1-CD2 4.32Å; I124-L155 HydrophobicContact CG1-CG 4.25Å; L155-R186 HydrophobicContact CD1-CG 4.34Å
156G64.2Low67.2Low76 Ų7658 Ų5878%0.78433%0.332SS*.THydrogen-bonded Turntrans103.1-19.4-176.300000113.9T158G156-T158 PolarHBondContact O-N 3.41Å
157E62Low65.3Low91 Ų9160.6 Ų60.643%0.42535%0.347SS..  trans-74.7118.9169.9-74.1-179.8-179.600110.9K153 I154 S159K153-E157 VanDerWaalsContact CE-O 3.29Å; K153-E157 WeakPolarHBondContact CE-O 3.38Å; K153-E157 PolarHBondContact NZ-O 3.31Å; I154-E157 PolarHBondContact O-N 3.48Å; E157-S159 PolarHBondContact O-N 3.03Å
158T46.7Very low64.1Low150 Ų15063.2 Ų63.292%0.9236%0.364SS*.  trans-74.549.7178.151.20000112.3G156G156-T158 PolarHBondContact O-N 3.41Å
159S47.5Very low63.4Low64 Ų6463.7 Ų63.745%0.44837%0.368SS..  trans-90.1113.2165.948.40000109.3K153 E157 M161K153-S159 WeakPolarHBondContact CE-OG 3.43Å; K153-S159 PolarHBondContact NZ-O 3.08Å; K153-S159 PolarHBondContact NZ-OG 2.95Å; E157-S159 PolarHBondContact O-N 3.03Å; S159-M161 PolarHBondContact O-N 2.89Å
160L45.8Very low62.9Low109 Ų10964.7 Ų64.757%0.57137%0.372SS*.  trans-60.5125.9174.7-150.685.4000108.6R162L160-R162 HydrophobicContact CB-CG 4.48Å; L160-R162 HydrophobicContact CD2-CG 4.25Å; L160-R162 PolarHBondContact O-N 2.94Å; L160-R162 VanDerWaalsContact O-N 3.13Å
161M50.2Low62.8Low44 Ų4465 Ų6522%0.21737%0.37CS..  trans-66.1111.5177.8-65.3-178.8157.200109.1K153 S159 N185K153-M161 HydrophobicContact CD-CE 4.2Å; S159-M161 PolarHBondContact O-N 2.89Å; M161-N185 HydrophobicContact CE-CB 3.79Å; M161-N185 WeakPolarHBondContact CE-ND2 3.45Å; M161-N185 WeakPolarHBondContact CE-OD1 3.22Å; M161-N185 PolarHBondContact SD-OD1 3.44Å
162R44.2Very low62.5Low200 Ų20062.6 Ų62.676%0.75536%0.36SS*.  trans-125.9-10.2-176.7-75.4-175176.1173.22.2115.1L160L160-R162 HydrophobicContact CB-CG 4.48Å; L160-R162 HydrophobicContact CD2-CG 4.25Å; L160-R162 PolarHBondContact O-N 2.94Å; L160-R162 VanDerWaalsContact O-N 3.13Å
163T43.6Very low62.2Low57 Ų5762.1 Ų62.135%0.3536%0.357SS..  trans-116124.3-172.3-37.90000112.2C165T163-C165 VanDerWaalsContact CB-SG 3.55Å; T163-C165 WeakPolarHBondContact CG2-SG 3.19Å; T163-C165 PolarHBondContact O-N 3.37Å
164L47.1Very low62.1Low125 Ų12562.2 Ų62.265%0.65436%0.357SS*.  trans-69.275.4165.4-71.3160.2000108.5V175 L176L164-V175 HydrophobicContact CD2-CG1 4.33Å; L164-L176 HydrophobicContact CD2-CD2 4.24Å
165C41.8Very low61.8Low41 Ų4162.8 Ų62.828%0.27736%0.362SS..  trans-95124.8173.6-60.50000108.8T163T163-C165 VanDerWaalsContact CB-SG 3.55Å; T163-C165 WeakPolarHBondContact CG2-SG 3.19Å; T163-C165 PolarHBondContact O-N 3.37Å
166G50.9Low61.6Low28 Ų2861.2 Ų61.229%0.28935%0.354SS..SBendtrans142.8162.2173.700000113.2
167T60Low61.8Low54 Ų5462.7 Ų62.733%0.33135%0.347SS..  trans-71122.4169.2-600000108.2T169 Y170T167-T169 PolarHBondContact O-N 3.36Å; T167-Y170 HydrophobicContact CG2-CD2 4.04Å; T167-Y170 HydrophobicContact CG2-CE2 3.93Å; T167-Y170 PolarHBondContact O-N 3.45Å
168P68.9Low61.7Low72 Ų7260.2 Ų60.247%0.46834%0.34SS..G310 helixtrans-52.3-30.7-166-31.836.1000115.9Y170 L171 L216 I220P168-Y170 VanDerWaalsContact C-N 3.27Å; P168-Y170 PolarHBondContact O-N 3.44Å; P168-L171 PolarHBondContact O-N 2.87Å; P168-L216 HydrophobicContact CB-CD2 3.56Å; P168-I220 WeakPolarHBondContact O-CD1 3.42Å
169T75.2Confident61.8Low29 Ų2959.3 Ų59.318%0.17833%0.334CS..G310 helixtrans-63.5-26.2-179-50.50000114.4T167 P205 F207T167-T169 PolarHBondContact O-N 3.36Å; T169-P205 HydrophobicContact CG2-CB 3.9Å; T169-F207 WeakPolarHBondContact CG2-O 3.29Å
170Y80.3Confident61.9Low23 Ų2357.7 Ų57.79%0.0933%0.328CS..G310 helixtrans-101.1-2.1-176.6-52.5-86.6000113.2K129 P130 T167 P168 S192 V195 I196 I199K129-Y170 HydrophobicContact CB-CD1 4.35Å; K129-Y170 HydrophobicContact CB-CD2 4.01Å; K129-Y170 HydrophobicContact CB-CE1 4.36Å; K129-Y170 HydrophobicContact CB-CE2 3.98Å; K129-Y170 HydrophobicContact CB-CG 4.19Å; P130-Y170 VanDerWaalsContact CD-CE1 3.46Å; P130-Y170 VanDerWaalsContact CD-CZ 3.47Å; P130-Y170 VanDerWaalsContact CD-OH 3.25Å; P130-Y170 WeakPolarHBondContact CD-OH 3.4Å; P130-Y170 HydrophobicContact CG-CE1 4.21Å; T167-Y170 HydrophobicContact CG2-CD2 4.04Å; T167-Y170 HydrophobicContact CG2-CE2 3.93Å; T167-Y170 PolarHBondContact O-N 3.45Å; P168-Y170 VanDerWaalsContact C-N 3.27Å; P168-Y170 PolarHBondContact O-N 3.44Å; Y170-S192 PolarHBondContact O-OG 3.3Å; Y170-V195 HydrophobicContact CD1-CB 3.99Å; Y170-V195 HydrophobicContact CD1-CG1 3.38Å; Y170-V195 HydrophobicContact CE1-CG1 3.68Å; Y170-V195 HydrophobicContact CG-CG1 4.29Å; Y170-I196 HydrophobicContact CE1-CG1 4.5Å; Y170-I199 HydrophobicContact CE1-CD1 3.64Å
171L80.8Confident62.1Low18 Ų1854.8 Ų54.89%0.09432%0.315CS..  trans-73.8134-178.8-66.9179.9000110.9P168 V175 L176 W191 I220P168-L171 PolarHBondContact O-N 2.87Å; L171-V175 HydrophobicContact CD2-CG1 4.24Å; L171-L176 HydrophobicContact CB-CD2 4.32Å; L171-L176 HydrophobicContact CB-CG 4.49Å; L171-L176 HydrophobicContact CD1-CD2 3.96Å; L171-W191 PolarHBondContact O-NE1 3.44Å; L171-W191 VanDerWaalsContact O-NE1 3.09Å; L171-I220 WeakPolarHBondContact O-CG2 3.39Å
172A75.7Confident61.9Low1 Ų157.5 Ų57.51%0.00834%0.344CS..  trans-70.9151.6175.600000111.7E174 V175 L176 V188 W191A172-E174 VanDerWaalsContact C-N 3.28Å; A172-E174 HydrophobicContact CB-CG 4.39Å; A172-E174 WeakPolarHBondContact CB-OE2 3.43Å; A172-E174 PolarHBondContact O-N 3.05Å; A172-V175 HydrophobicContact CB-CG2 4.28Å; A172-V175 WeakPolarHBondContact O-CB 3.38Å; A172-V175 PolarHBondContact O-N 3.42Å; A172-L176 PolarHBondContact O-N 3.03Å; A172-V188 HydrophobicContact CB-CB 4.03Å; A172-V188 HydrophobicContact CB-CG1 4.14Å; A172-W191 VanDerWaalsContact CA-CD1 3.49Å; A172-W191 HydrophobicContact CB-CB 3.76Å; A172-W191 HydrophobicContact CB-CD2 4.35Å; A172-W191 HydrophobicContact CB-CG 3.74Å
173P79Confident62.2Low4 Ų450.9 Ų50.93%0.02634%0.338CS..Hα-helixtrans-52.9-42.3-179.4-29.437.2000113.9V175 L176 V177 W191 I220 V249P173-V175 PolarHBondContact O-N 3.35Å; P173-L176 PolarHBondContact O-N 2.99Å; P173-V177 WeakPolarHBondContact O-CG2 3.38Å; P173-V177 PolarHBondContact O-N 3.28Å; P173-W191 HydrophobicContact CG-CD2 4.47Å; P173-W191 HydrophobicContact CG-CE3 4.14Å; P173-W191 HydrophobicContact CG-CH2 3.52Å; P173-W191 HydrophobicContact CG-CZ2 3.89Å; P173-W191 HydrophobicContact CG-CZ3 3.66Å; P173-I220 HydrophobicContact CB-CG2 4.39Å; P173-I220 HydrophobicContact CG-CG2 3.91Å; P173-I220 WeakPolarHBondContact CG-O 3.36Å; P173-V249 HydrophobicContact CB-CG1 4.04Å; P173-V249 HydrophobicContact CG-CG1 4.2Å; P173-V249 HydrophobicContact CG-CG2 4.45Å
174E79.5Confident62.8Low20 Ų2052.3 Ų52.39%0.09334%0.337CS..Hα-helixtrans-64.9-25.9-179.361.9-89.4-152.900113.3A172 S178 V188 R254A172-E174 VanDerWaalsContact C-N 3.28Å; A172-E174 HydrophobicContact CB-CG 4.39Å; A172-E174 WeakPolarHBondContact CB-OE2 3.43Å; A172-E174 PolarHBondContact O-N 3.05Å; E174-S178 WeakPolarHBondContact O-CB 3.48Å; E174-S178 PolarHBondContact O-N 3.4Å; E174-S178 VanDerWaalsContact O-N 3.12Å; E174-S178 PolarHBondContact O-OG 2.92Å; E174-V188 HydrophobicContact CG-CG1 4.23Å; E174-R254 IonicContact OE1-CZ 3.84Å; E174-R254 IonicContact OE1-NH1 3.14Å; E174-R254 PolarHBondContact OE1-NH1 2.89Å; E174-R254 IonicContact OE1-NH2 2.71Å; E174-R254 IonicContact OE2-CZ 2.77Å; E174-R254 IonicContact OE2-NH1 2.78Å; E174-R254 PolarHBondContact OE2-NH1 3.43Å; E174-R254 IonicContact OE2-NH2 3.37Å; E174-R254 PolarHBondContact OE2-NH2 3.32Å
175V77.3Confident64Low44 Ų4447 Ų4727%0.26731%0.31SS..Hα-helixtrans-73.3-30.5174.5-178.30000111L164 L171 A172 P173 V188L164-V175 HydrophobicContact CD2-CG1 4.33Å; L171-V175 HydrophobicContact CD2-CG1 4.24Å; A172-V175 HydrophobicContact CB-CG2 4.28Å; A172-V175 WeakPolarHBondContact O-CB 3.38Å; A172-V175 PolarHBondContact O-N 3.42Å; P173-V175 PolarHBondContact O-N 3.35Å; V175-V188 HydrophobicContact CG2-CB 4.4Å; V175-V188 HydrophobicContact CG2-CG1 3.81Å
176L73.3Confident66.3Low36 Ų3649.3 Ų49.319%0.18831%0.313CS..Hα-helixtrans-84.5-28.4179.3-61.6178.9000113.5L164 L171 A172 P173 K217 I220 T221L164-L176 HydrophobicContact CD2-CD2 4.24Å; L171-L176 HydrophobicContact CB-CD2 4.32Å; L171-L176 HydrophobicContact CB-CG 4.49Å; L171-L176 HydrophobicContact CD1-CD2 3.96Å; A172-L176 PolarHBondContact O-N 3.03Å; P173-L176 PolarHBondContact O-N 2.99Å; L176-K217 HydrophobicContact CD1-CG 4.32Å; L176-I220 HydrophobicContact CD1-CB 3.86Å; L176-I220 HydrophobicContact CD1-CD1 3.9Å; L176-I220 HydrophobicContact CD1-CG1 4.49Å; L176-I220 HydrophobicContact CD1-CG2 3.56Å; L176-T221 HydrophobicContact CB-CG2 4.23Å; L176-T221 HydrophobicContact CD1-CG2 4.38Å
177V67.8Low68.2Low106 Ų10648.8 Ų48.864%0.64231%0.306SS*.Hα-helixtrans-93.4-32.1-174.8176.20000112.1P173 T221P173-V177 WeakPolarHBondContact O-CG2 3.38Å; P173-V177 PolarHBondContact O-N 3.28Å; V177-T221 HydrophobicContact CG2-CG2 3.56Å
178S60Low69.7Low39 Ų3947 Ų4727%0.27330%0.295SS..  trans-113.3134.9-171.177.60000113.8E174 T181E174-S178 WeakPolarHBondContact O-CB 3.48Å; E174-S178 PolarHBondContact O-N 3.4Å; E174-S178 VanDerWaalsContact O-N 3.12Å; E174-S178 PolarHBondContact O-OG 2.92Å; S178-T181 PolarHBondContact OG-OG1 3.02Å
179V50Low70.9Confident131 Ų13143.6 Ų43.679%0.79427%0.272SS*.SBendtrans-95.198158.4-178.70000106.4
180G49.3Very low72Confident31 Ų3142.4 Ų42.432%0.3227%0.265SS..  trans94.446.3165.100000118A182G180-A182 PolarHBondContact O-N 3.03Å
181T48.5Very low72.8Confident48 Ų4841.3 Ų41.329%0.29426%0.261SS..  trans-85.799.1163.854.10000111.4S178 G183 Y184 N185S178-T181 PolarHBondContact OG-OG1 3.02Å; T181-G183 PolarHBondContact O-N 3.25Å; T181-G183 VanDerWaalsContact O-N 3.17Å; T181-Y184 HydrophobicContact CG2-CD2 4.19Å; T181-Y184 HydrophobicContact CG2-CE2 4.19Å; T181-N185 PolarHBondContact O-OD1 2.73Å
182A46.3Very low73.5Confident100 Ų10040.7 Ų40.783%0.82626%0.258SS*.THydrogen-bonded Turntrans-67.5105.5167.900000109.7G180G180-A182 PolarHBondContact O-N 3.03Å
183G50.6Low74.6Confident61 Ų6140.7 Ų40.763%0.62926%0.258SS*.THydrogen-bonded Turntrans140.9-21.8166.100000116.5T181 N185T181-G183 PolarHBondContact O-N 3.25Å; T181-G183 VanDerWaalsContact O-N 3.17Å; G183-N185 PolarHBondContact N-OD1 3.24Å; G183-N185 PolarHBondContact O-N 3.3Å
184Y57.3Low75.5Confident87 Ų8740.5 Ų40.534%0.34126%0.257SS..  trans-87.916.4179.5-56.1-65.5000113.3T181 R186 A187 P251 K252T181-Y184 HydrophobicContact CG2-CD2 4.19Å; T181-Y184 HydrophobicContact CG2-CE2 4.19Å; Y184-R186 PolarHBondContact O-N 3.09Å; Y184-A187 PolarHBondContact O-N 2.93Å; Y184-P251 HydrophobicContact CD1-CB 4.28Å; Y184-P251 HydrophobicContact CD1-CG 3.82Å; Y184-P251 HydrophobicContact CE1-CG 4.46Å; Y184-P251 HydrophobicContact CG-CG 4.04Å; Y184-K252 HydrophobicContact CE1-CD 4.45Å; Y184-K252 HydrophobicContact CE1-CG 4.05Å; Y184-K252 WeakPolarHBondContact OH-CE 3.38Å
185N71.7Confident76.3Confident15 Ų1539.6 Ų39.68%0.0825%0.253CS..Hα-helixtrans-72.6-34.7-158.8-53.5-11.3000111.7I124 M161 T181 G183 V188I124-N185 HydrophobicContact CD1-CB 3.09Å; I124-N185 HydrophobicContact CG1-CB 4.49Å; I124-N185 WeakPolarHBondContact CG2-O 3.21Å; M161-N185 HydrophobicContact CE-CB 3.79Å; M161-N185 WeakPolarHBondContact CE-ND2 3.45Å; M161-N185 WeakPolarHBondContact CE-OD1 3.22Å; M161-N185 PolarHBondContact SD-OD1 3.44Å; T181-N185 PolarHBondContact O-OD1 2.73Å; G183-N185 PolarHBondContact N-OD1 3.24Å; G183-N185 PolarHBondContact O-N 3.3Å; N185-V188 WeakPolarHBondContact O-CG2 3.3Å
186R89Confident77.3Confident88 Ų8837.5 Ų37.533%0.33224%0.24SC..Hα-helixtrans-70.6-34-179.4-70.1172.274.9169.5-7.7111.8H119 I124 L155 Y184 V188 D189 E258H119-R186 VanDerWaalsContact CB-NE 3.3Å; H119-R186 VanDerWaalsContact CB-NH2 3.3Å; H119-R186 PolarHBondContact CE1-O 3.32Å; H119-R186 PolarHBondContact ND1-NE 2.93Å; H119-R186 PolarHBondContact O-NH1 3.3Å; H119-R186 PolarHBondContact O-NH2 3Å; I124-R186 HydrophobicContact CD1-CG 3.81Å; I124-R186 HydrophobicContact CG1-CG 3.94Å; L155-R186 HydrophobicContact CD1-CG 4.34Å; Y184-R186 PolarHBondContact O-N 3.09Å; R186-V188 PolarHBondContact O-N 2.96Å; R186-D189 PolarHBondContact O-N 3.5Å; R186-E258 IonicContact NH2-OE1 2.58Å
187A91.8Very high78.4Confident17 Ų1735.9 Ų35.914%0.1423%0.231CC..Hα-helixtrans-65.4-21.2-17800000113Y184 D189 C190 W191 P251 R254Y184-A187 PolarHBondContact O-N 2.93Å; A187-D189 VanDerWaalsContact C-N 3.33Å; A187-C190 WeakPolarHBondContact O-CB 3.43Å; A187-C190 PolarHBondContact O-N 2.97Å; A187-W191 PolarHBondContact O-N 2.82Å; A187-P251 HydrophobicContact CB-CB 3.79Å; A187-R254 VanDerWaalsContact C-NH1 3.35Å; A187-R254 WeakPolarHBondContact O-CD 3.5Å; A187-R254 PolarHBondContact O-NH1 3.5Å
188V91.4Very high79.8Confident17 Ų1730.8 Ų30.810%0.10320%0.201CC..Hα-helixtrans-66-38.2176.8-46.60000111.2I124 R126 A172 E174 V175 N185 R186 C190 W191 S192I124-V188 HydrophobicContact CG2-CG2 4.27Å; R126-V188 HydrophobicContact CG-CG2 4.49Å; A172-V188 HydrophobicContact CB-CB 4.03Å; A172-V188 HydrophobicContact CB-CG1 4.14Å; E174-V188 HydrophobicContact CG-CG1 4.23Å; V175-V188 HydrophobicContact CG2-CB 4.4Å; V175-V188 HydrophobicContact CG2-CG1 3.81Å; N185-V188 WeakPolarHBondContact O-CG2 3.3Å; R186-V188 PolarHBondContact O-N 2.96Å; V188-C190 VanDerWaalsContact C-N 3.31Å; V188-C190 PolarHBondContact O-N 2.93Å; V188-W191 WeakPolarHBondContact O-CB 3.4Å; V188-W191 PolarHBondContact O-N 3.32Å; V188-S192 PolarHBondContact O-N 2.87Å; V188-S192 PolarHBondContact O-OG 3.16Å
189D94.9Very high81.5Confident0 Ų029.4 Ų29.40%019%0.19CC..Hα-helixtrans-65.9-38.2176.3-69-21.2000110.2V115 H119 I124 H125 R126 L128 R186 A187 W191 S192 L193V115-D189 HydrophobicContact CG1-CB 3.92Å; H119-D189 IonicContact CD2-OD2 2.69Å; H119-D189 IonicContact CE1-OD2 3.64Å; H119-D189 IonicContact NE2-OD2 3.95Å; H119-D189 PolarHBondContact NE2-OD2 3.09Å; I124-D189 WeakPolarHBondContact CG2-OD2 3.35Å; H125-D189 PolarHBondContact N-OD1 2.69Å; H125-D189 PolarHBondContact N-OD2 3.36Å; R126-D189 PolarHBondContact N-OD1 3.46Å; L128-D189 HydrophobicContact CD1-CB 3.69Å; R186-D189 PolarHBondContact O-N 3.5Å; A187-D189 VanDerWaalsContact C-N 3.33Å; D189-W191 VanDerWaalsContact C-N 3.34Å; D189-W191 PolarHBondContact O-N 2.97Å; D189-S192 PolarHBondContact O-N 3.03Å; D189-L193 WeakPolarHBondContact O-CB 3.25Å; D189-L193 WeakPolarHBondContact O-CG 3.46Å; D189-L193 PolarHBondContact O-N 3.48Å
190C97.8Very high83.7Confident4 Ų423.4 Ų23.43%0.02715%0.154CC..Hα-helixtrans-63.9-37.6175.8-58.20000112.4A187 V188 G194 L246 F255A187-C190 WeakPolarHBondContact O-CB 3.43Å; A187-C190 PolarHBondContact O-N 2.97Å; V188-C190 VanDerWaalsContact C-N 3.31Å; V188-C190 PolarHBondContact O-N 2.93Å; C190-G194 PolarHBondContact O-N 2.91Å; C190-L246 HydrophobicContact CB-CD2 4.27Å; C190-F255 WeakPolarHBondContact CB-O 3.46Å
191W96.4Very high86Confident0 Ų022.2 Ų22.20%014%0.14CC..Hα-helixtrans-63.5-49.3172.3176.7-86.9000111.3L171 A172 P173 A187 V188 D189 L193 G194 V195 F207 I220 L247L171-W191 PolarHBondContact O-NE1 3.44Å; L171-W191 VanDerWaalsContact O-NE1 3.09Å; A172-W191 VanDerWaalsContact CA-CD1 3.49Å; A172-W191 HydrophobicContact CB-CB 3.76Å; A172-W191 HydrophobicContact CB-CD2 4.35Å; A172-W191 HydrophobicContact CB-CG 3.74Å; P173-W191 HydrophobicContact CG-CD2 4.47Å; P173-W191 HydrophobicContact CG-CE3 4.14Å; P173-W191 HydrophobicContact CG-CH2 3.52Å; P173-W191 HydrophobicContact CG-CZ2 3.89Å; P173-W191 HydrophobicContact CG-CZ3 3.66Å; A187-W191 PolarHBondContact O-N 2.82Å; V188-W191 WeakPolarHBondContact O-CB 3.4Å; V188-W191 PolarHBondContact O-N 3.32Å; D189-W191 VanDerWaalsContact C-N 3.34Å; D189-W191 PolarHBondContact O-N 2.97Å; W191-L193 VanDerWaalsContact C-N 3.29Å; W191-L193 PolarHBondContact O-N 3.03Å; W191-G194 WeakPolarHBondContact O-CA 3.32Å; W191-G194 PolarHBondContact O-N 3.31Å; W191-V195 PolarHBondContact O-N 2.86Å; W191-F207 AromaticContact CE2-CE2 3.99Å; W191-F207 HydrophobicContact CH2-CE2 4.11Å; W191-F207 AromaticContact CH2-CZ 3.66Å; W191-F207 HydrophobicContact CH2-CZ 3.66Å; W191-F207 HydrophobicContact CZ2-CD2 4.37Å; W191-F207 HydrophobicContact CZ2-CE1 4.4Å; W191-F207 AromaticContact CZ2-CE2 3.33Å; W191-F207 HydrophobicContact CZ2-CE2 3.33Å; W191-F207 AromaticContact CZ2-CZ 3.35Å; W191-F207 HydrophobicContact CZ2-CZ 3.35Å; W191-I220 HydrophobicContact CZ2-CG2 3.85Å; W191-L247 HydrophobicContact CD2-CD2 3.99Å; W191-L247 HydrophobicContact CE3-CD2 4.13Å; W191-L247 HydrophobicContact CG-CD2 4.5Å; W191-L247 HydrophobicContact CZ2-CD2 4.39Å; W191-L247 HydrophobicContact CZ3-CB 4.36Å; W191-L247 HydrophobicContact CZ3-CD2 4.41Å
192S96Very high88.1Confident6 Ų620.3 Ų20.34%0.04213%0.129CC..Hα-helixtrans-59.8-39.4178.6-56.60000111.9L128 Y170 V188 D189 G194 V195 I196L128-S192 WeakPolarHBondContact O-CB 3.33Å; Y170-S192 PolarHBondContact O-OG 3.3Å; V188-S192 PolarHBondContact O-N 2.87Å; V188-S192 PolarHBondContact O-OG 3.16Å; D189-S192 PolarHBondContact O-N 3.03Å; S192-G194 VanDerWaalsContact C-N 3.35Å; S192-G194 PolarHBondContact O-N 3.42Å; S192-V195 PolarHBondContact O-N 3.27Å; S192-I196 VanDerWaalsContact O-CG1 3.3Å; S192-I196 WeakPolarHBondContact O-CG1 3.3Å; S192-I196 PolarHBondContact O-N 2.99Å
193L98.5Very high90.3Very high1 Ų115.8 Ų15.81%0.0059%0.092CC..Hα-helixtrans-59.1-42.8170.4-74.8175.3000112.2F108 M111 L112 V115 L128 D189 W191 V195 I196 L197 T257F108-L193 HydrophobicContact CE2-CB 3.81Å; F108-L193 HydrophobicContact CE2-CD2 4.06Å; F108-L193 HydrophobicContact CE2-CG 4.46Å; F108-L193 VanDerWaalsContact CE2-O 3.3Å; F108-L193 WeakPolarHBondContact CE2-O 3.49Å; F108-L193 HydrophobicContact CZ-CB 3.97Å; M111-L193 HydrophobicContact CB-CD2 3.74Å; M111-L193 HydrophobicContact SD-CD2 4.23Å; L112-L193 HydrophobicContact CD2-CD1 3.89Å; V115-L193 HydrophobicContact CB-CD1 4.14Å; V115-L193 HydrophobicContact CG1-CD1 4.18Å; V115-L193 HydrophobicContact CG2-CD1 4.06Å; V115-L193 HydrophobicContact CG2-CD2 4.36Å; V115-L193 HydrophobicContact CG2-CG 4.49Å; L128-L193 HydrophobicContact CD1-CD2 4.33Å; L128-L193 HydrophobicContact CD1-CG 4.11Å; D189-L193 WeakPolarHBondContact O-CB 3.25Å; D189-L193 WeakPolarHBondContact O-CG 3.46Å; D189-L193 PolarHBondContact O-N 3.48Å; W191-L193 VanDerWaalsContact C-N 3.29Å; W191-L193 PolarHBondContact O-N 3.03Å; L193-V195 VanDerWaalsContact C-N 3.33Å; L193-V195 PolarHBondContact O-N 3.1Å; L193-I196 PolarHBondContact O-N 3.21Å; L193-L197 WeakPolarHBondContact O-CB 3.48Å; L193-L197 PolarHBondContact O-N 2.84Å; L193-T257 HydrophobicContact CD1-CG2 4.36Å
194G98.1Very high92.2Very high0 Ų014.1 Ų14.10%07%0.067CC..Hα-helixtrans-59.1-41.3173.600000113.1C190 W191 S192 F198C190-G194 PolarHBondContact O-N 2.91Å; W191-G194 WeakPolarHBondContact O-CA 3.32Å; W191-G194 PolarHBondContact O-N 3.31Å; S192-G194 VanDerWaalsContact C-N 3.35Å; S192-G194 PolarHBondContact O-N 3.42Å; G194-F198 WeakPolarHBondContact O-CB 3.46Å; G194-F198 PolarHBondContact O-N 2.66Å
195V96.6Very high93.8Very high0 Ų012.2 Ų12.20%07%0.065CC..Hα-helixtrans-66.1-44.5176177.60000111.2Y170 W191 S192 L193 F198 I199 P206 F207 L247Y170-V195 HydrophobicContact CD1-CB 3.99Å; Y170-V195 HydrophobicContact CD1-CG1 3.38Å; Y170-V195 HydrophobicContact CE1-CG1 3.68Å; Y170-V195 HydrophobicContact CG-CG1 4.29Å; W191-V195 PolarHBondContact O-N 2.86Å; S192-V195 PolarHBondContact O-N 3.27Å; L193-V195 VanDerWaalsContact C-N 3.33Å; L193-V195 PolarHBondContact O-N 3.1Å; V195-F198 WeakPolarHBondContact O-CB 3.48Å; V195-F198 PolarHBondContact O-N 3.07Å; V195-I199 HydrophobicContact CG1-CD1 3.97Å; V195-I199 WeakPolarHBondContact O-CG1 3.45Å; V195-I199 PolarHBondContact O-N 2.92Å; V195-P206 HydrophobicContact CB-CG 4.3Å; V195-P206 HydrophobicContact CG1-CG 3.85Å; V195-P206 HydrophobicContact CG2-CG 4.16Å; V195-F207 HydrophobicContact CG2-CD2 4.42Å; V195-F207 HydrophobicContact CG2-CE2 4.12Å; V195-L247 HydrophobicContact CG2-CD2 3.8Å
196I97.1Very high94.8Very high1 Ų111.6 Ų11.61%0.0056%0.062CC..Hα-helixtrans-61-47.8176.6-67.3164.4000110.4L89 M111 L128 P130 Y170 S192 L193 F198 I199 C200L89-I196 HydrophobicContact CD2-CG2 4.26Å; M111-I196 HydrophobicContact CE-CG2 3.98Å; M111-I196 HydrophobicContact SD-CG2 3.95Å; L128-I196 HydrophobicContact CB-CD1 4.22Å; P130-I196 HydrophobicContact CG-CG1 4.36Å; Y170-I196 HydrophobicContact CE1-CG1 4.5Å; S192-I196 VanDerWaalsContact O-CG1 3.3Å; S192-I196 WeakPolarHBondContact O-CG1 3.3Å; S192-I196 PolarHBondContact O-N 2.99Å; L193-I196 PolarHBondContact O-N 3.21Å; I196-F198 VanDerWaalsContact C-N 3.32Å; I196-F198 PolarHBondContact O-N 3.39Å; I196-I199 PolarHBondContact O-N 3.28Å; I196-I199 VanDerWaalsContact O-N 3.14Å; I196-C200 PolarHBondContact O-N 3.42Å; I196-C200 PolarHBondContact O-SG 3.14Å
197L98.1Very high94.8Very high1 Ų17.4 Ų7.41%0.0055%0.046CC..Hα-helixtrans-60.4-42.9179-179.159.2000111.6F108 L193 I199 C200 L201 L242 V243 L246 W265F108-L197 HydrophobicContact CB-CD1 4.19Å; F108-L197 HydrophobicContact CD1-CD1 4.3Å; F108-L197 HydrophobicContact CD1-CD2 4.05Å; F108-L197 HydrophobicContact CD2-CB 3.89Å; F108-L197 HydrophobicContact CD2-CD1 4.1Å; F108-L197 HydrophobicContact CD2-CG 4.37Å; F108-L197 HydrophobicContact CE1-CD2 3.81Å; F108-L197 HydrophobicContact CE2-CB 3.7Å; F108-L197 HydrophobicContact CE2-CD2 4.33Å; F108-L197 HydrophobicContact CE2-CG 4.42Å; F108-L197 HydrophobicContact CG-CB 4.48Å; F108-L197 HydrophobicContact CG-CD1 3.93Å; F108-L197 HydrophobicContact CG-CD2 4.38Å; F108-L197 HydrophobicContact CG-CG 4.48Å; F108-L197 HydrophobicContact CZ-CB 4.11Å; F108-L197 HydrophobicContact CZ-CD2 3.97Å; L193-L197 WeakPolarHBondContact O-CB 3.48Å; L193-L197 PolarHBondContact O-N 2.84Å; L197-I199 VanDerWaalsContact C-N 3.32Å; L197-I199 PolarHBondContact O-N 3.48Å; L197-C200 PolarHBondContact O-N 3.38Å; L197-L201 HydrophobicContact CD1-CD1 3.81Å; L197-L201 HydrophobicContact CD1-CG 4.05Å; L197-L201 HydrophobicContact CG-CD1 3.84Å; L197-L201 HydrophobicContact CG-CG 4.48Å; L197-L201 WeakPolarHBondContact O-CB 3.42Å; L197-L201 VanDerWaalsContact O-CG 3.32Å; L197-L201 WeakPolarHBondContact O-CG 3.36Å; L197-L201 PolarHBondContact O-N 3.3Å; L197-L242 HydrophobicContact CD2-CB 4.47Å; L197-L242 HydrophobicContact CD2-CD2 4.01Å; L197-L242 HydrophobicContact CD2-CG 4.07Å; L197-V243 HydrophobicContact CB-CG2 4.3Å; L197-V243 HydrophobicContact CD2-CG2 3.61Å; L197-V243 HydrophobicContact CG-CG2 3.68Å; L197-L246 HydrophobicContact CD2-CD1 4.44Å; L197-W265 HydrophobicContact CD1-CH2 3.58Å; L197-W265 HydrophobicContact CD1-CZ3 3.83Å; L197-W265 HydrophobicContact CD2-CZ3 4.23Å
198F97Very high94.6Very high0 Ų08.6 Ų8.60%05%0.054CC..Hα-helixtrans-56-48.1174.6-173.9-70.1000111G194 V195 I196 L201 S202 Y204 P206 Y225 N226 F227 W232 V243 L247G194-F198 WeakPolarHBondContact O-CB 3.46Å; G194-F198 PolarHBondContact O-N 2.66Å; V195-F198 WeakPolarHBondContact O-CB 3.48Å; V195-F198 PolarHBondContact O-N 3.07Å; I196-F198 VanDerWaalsContact C-N 3.32Å; I196-F198 PolarHBondContact O-N 3.39Å; F198-L201 PolarHBondContact O-N 3.03Å; F198-S202 VanDerWaalsContact CD1-OG 3.32Å; F198-S202 WeakPolarHBondContact CD1-OG 3.08Å; F198-S202 WeakPolarHBondContact CE1-OG 3.35Å; F198-S202 WeakPolarHBondContact O-CB 3.43Å; F198-S202 PolarHBondContact O-N 3.5Å; F198-S202 PolarHBondContact O-OG 3.21Å; F198-Y204 VanDerWaalsContact CD1-O 3.24Å; F198-Y204 WeakPolarHBondContact CD1-O 2.99Å; F198-Y204 AromaticContact CE1-CD2 3.85Å; F198-Y204 HydrophobicContact CE1-CD2 3.85Å; F198-Y204 HydrophobicContact CE1-CE1 4.48Å; F198-Y204 AromaticContact CE1-CE2 3.5Å; F198-Y204 HydrophobicContact CE1-CE2 3.5Å; F198-Y204 HydrophobicContact CE1-CG 4.46Å; F198-Y204 AromaticContact CE1-CZ 3.85Å; F198-Y204 VanDerWaalsContact CE1-O 3.31Å; F198-Y204 WeakPolarHBondContact CE1-O 3.39Å; F198-Y204 HydrophobicContact CZ-CD2 4.43Å; F198-Y204 AromaticContact CZ-CE2 3.64Å; F198-Y204 HydrophobicContact CZ-CE2 3.64Å; F198-Y204 AromaticContact CZ-CZ 3.83Å; F198-P206 HydrophobicContact CB-CB 4.38Å; F198-P206 HydrophobicContact CB-CG 4.12Å; F198-P206 HydrophobicContact CD1-CB 3.79Å; F198-P206 VanDerWaalsContact CD1-CD 3.47Å; F198-P206 HydrophobicContact CD1-CG 4.01Å; F198-P206 HydrophobicContact CD2-CB 3.71Å; F198-P206 HydrophobicContact CD2-CG 4.37Å; F198-P206 HydrophobicContact CE1-CB 3.97Å; F198-P206 HydrophobicContact CE2-CB 3.9Å; F198-P206 HydrophobicContact CG-CB 3.68Å; F198-P206 HydrophobicContact CG-CG 3.9Å; F198-P206 HydrophobicContact CZ-CB 4.03Å; F198-Y225 HydrophobicContact CD2-CD2 4.06Å; F198-Y225 HydrophobicContact CD2-CE2 4.35Å; F198-Y225 AromaticContact CE2-CD2 3.65Å; F198-Y225 HydrophobicContact CE2-CD2 3.65Å; F198-Y225 HydrophobicContact CE2-CE2 4.18Å; F198-N226 WeakPolarHBondContact CZ-O 3.5Å; F198-F227 HydrophobicContact CE2-CE1 4.15Å; F198-F227 HydrophobicContact CE2-CZ 4.3Å; F198-W232 HydrophobicContact CD1-CZ2 4.05Å; F198-W232 AromaticContact CD2-CH2 3.87Å; F198-W232 HydrophobicContact CD2-CH2 3.87Å; F198-W232 AromaticContact CD2-CZ2 3.44Å; F198-W232 HydrophobicContact CD2-CZ2 3.44Å; F198-W232 VanDerWaalsContact CD2-CZ2 3.44Å; F198-W232 AromaticContact CE1-CZ2 3.9Å; F198-W232 HydrophobicContact CE1-CZ2 3.9Å; F198-W232 AromaticContact CE2-CE2 3.9Å; F198-W232 HydrophobicContact CE2-CH2 4.07Å; F198-W232 AromaticContact CE2-CZ2 3.25Å; F198-W232 HydrophobicContact CE2-CZ2 3.25Å; F198-W232 HydrophobicContact CG-CH2 4.24Å; F198-W232 AromaticContact CG-CZ2 3.82Å; F198-W232 HydrophobicContact CG-CZ2 3.82Å; F198-W232 AromaticContact CZ-CE2 3.91Å; F198-W232 AromaticContact CZ-CZ2 3.5Å; F198-W232 HydrophobicContact CZ-CZ2 3.5Å; F198-W232 VanDerWaalsContact CZ-CZ2 3.5Å; F198-W232 AromaticContact CZ-NE1 3.73Å; F198-V243 HydrophobicContact CB-CG1 4.21Å; F198-V243 HydrophobicContact CD2-CG1 3.84Å; F198-L247 HydrophobicContact CD2-CD1 4.35Å
199I95.1Very high94.1Very high10 Ų1013.8 Ų13.85%0.0518%0.077CC..Hα-helixtrans-64.2-45.3-180-69162.5000110.9V93 Y170 V195 I196 L197 L201 S202 G203 P205V93-I199 HydrophobicContact CB-CG2 3.9Å; V93-I199 HydrophobicContact CG1-CG2 4.47Å; V93-I199 HydrophobicContact CG2-CG2 3.79Å; Y170-I199 HydrophobicContact CE1-CD1 3.64Å; V195-I199 HydrophobicContact CG1-CD1 3.97Å; V195-I199 WeakPolarHBondContact O-CG1 3.45Å; V195-I199 PolarHBondContact O-N 2.92Å; I196-I199 PolarHBondContact O-N 3.28Å; I196-I199 VanDerWaalsContact O-N 3.14Å; L197-I199 VanDerWaalsContact C-N 3.32Å; L197-I199 PolarHBondContact O-N 3.48Å; I199-L201 VanDerWaalsContact C-N 3.31Å; I199-L201 PolarHBondContact O-N 2.66Å; I199-S202 PolarHBondContact O-N 3.15Å; I199-G203 VanDerWaalsContact O-CA 3.31Å; I199-G203 WeakPolarHBondContact O-CA 3.24Å; I199-G203 PolarHBondContact O-N 2.9Å; I199-P205 HydrophobicContact CD1-CB 4.4Å; I199-P205 HydrophobicContact CG1-CB 4.37Å
200C96.4Very high93.5Very high5 Ų520 Ų203%0.03411%0.106CC..Hα-helixtrans-60-40.8179.8-68.50000112.5L99 C104 I196 L197L99-C200 HydrophobicContact CD1-CB 4.34Å; L99-C200 PolarHBondContact N-O 3.08Å; C104-C200 HydrophobicContact CB-CB 4.41Å; C104-C200 VanDerWaalsContact SG-C 3.59Å; C104-C200 PolarHBondContact SG-O 2.6Å; C104-C200 VanDerWaalsContact SG-O 3.41Å; I196-C200 PolarHBondContact O-N 3.42Å; I196-C200 PolarHBondContact O-SG 3.14Å; L197-C200 PolarHBondContact O-N 3.38Å
201L96.4Very high92.3Very high5 Ų530.9 Ų30.93%0.02615%0.146CC..Hα-helixtrans-75.5-37.5-178.9-68.8168.9000113.1E101 C104 L197 F198 I199 W232 V235 A239 V243 W265E101-L201 HydrophobicContact CG-CD2 4.04Å; C104-L201 HydrophobicContact CB-CD2 3.92Å; L197-L201 HydrophobicContact CD1-CD1 3.81Å; L197-L201 HydrophobicContact CD1-CG 4.05Å; L197-L201 HydrophobicContact CG-CD1 3.84Å; L197-L201 HydrophobicContact CG-CG 4.48Å; L197-L201 WeakPolarHBondContact O-CB 3.42Å; L197-L201 VanDerWaalsContact O-CG 3.32Å; L197-L201 WeakPolarHBondContact O-CG 3.36Å; L197-L201 PolarHBondContact O-N 3.3Å; F198-L201 PolarHBondContact O-N 3.03Å; I199-L201 VanDerWaalsContact C-N 3.31Å; I199-L201 PolarHBondContact O-N 2.66Å; L201-W232 HydrophobicContact CB-CH2 4.25Å; L201-W232 HydrophobicContact CB-CZ3 4.42Å; L201-W232 HydrophobicContact CD1-CH2 4.3Å; L201-W232 HydrophobicContact CD1-CZ3 4.21Å; L201-V235 HydrophobicContact CB-CG1 4.45Å; L201-V235 HydrophobicContact CB-CG2 4.33Å; L201-V235 HydrophobicContact CD1-CG1 4.19Å; L201-V235 HydrophobicContact CD2-CG1 4.15Å; L201-A239 HydrophobicContact CD1-CB 3.91Å; L201-A239 HydrophobicContact CD2-CB 4.27Å; L201-V243 HydrophobicContact CD1-CG2 3.93Å; L201-W265 HydrophobicContact CD2-CZ2 4.36Å
202S93.6Very high91.5Very high8 Ų833.6 Ų33.66%0.05616%0.163CC..Hα-helixtrans-108.2-18.8-168.872.10000114.7F198 I199 Y204 V231F198-S202 VanDerWaalsContact CD1-OG 3.32Å; F198-S202 WeakPolarHBondContact CD1-OG 3.08Å; F198-S202 WeakPolarHBondContact CE1-OG 3.35Å; F198-S202 WeakPolarHBondContact O-CB 3.43Å; F198-S202 PolarHBondContact O-N 3.5Å; F198-S202 PolarHBondContact O-OG 3.21Å; I199-S202 PolarHBondContact O-N 3.15Å; S202-Y204 WeakPolarHBondContact O-CD1 3.34Å; S202-Y204 PolarHBondContact O-N 3.21Å; S202-Y204 PolarHBondContact OG-N 3.15Å; S202-Y204 PolarHBondContact OG-O 3.48Å; S202-Y204 VanDerWaalsContact OG-O 3.09Å; S202-V231 WeakPolarHBondContact O-CG1 3.35Å
203G91.4Very high90.8Very high5 Ų543.1 Ų43.15%0.05221%0.206CC..SBendtrans75.25-175.400000114.7N96 I199N96-G203 WeakPolarHBondContact CA-O 3.37Å; I199-G203 VanDerWaalsContact O-CA 3.31Å; I199-G203 WeakPolarHBondContact O-CA 3.24Å; I199-G203 PolarHBondContact O-N 2.9Å
204Y90.6Very high90.1Very high26 Ų2646.3 Ų46.310%0.10223%0.226CC..SBendtrans-138.5157176.669.4-89.4000111.8F198 S202 N226 I228 V231 W232F198-Y204 VanDerWaalsContact CD1-O 3.24Å; F198-Y204 WeakPolarHBondContact CD1-O 2.99Å; F198-Y204 AromaticContact CE1-CD2 3.85Å; F198-Y204 HydrophobicContact CE1-CD2 3.85Å; F198-Y204 HydrophobicContact CE1-CE1 4.48Å; F198-Y204 AromaticContact CE1-CE2 3.5Å; F198-Y204 HydrophobicContact CE1-CE2 3.5Å; F198-Y204 HydrophobicContact CE1-CG 4.46Å; F198-Y204 AromaticContact CE1-CZ 3.85Å; F198-Y204 VanDerWaalsContact CE1-O 3.31Å; F198-Y204 WeakPolarHBondContact CE1-O 3.39Å; F198-Y204 HydrophobicContact CZ-CD2 4.43Å; F198-Y204 AromaticContact CZ-CE2 3.64Å; F198-Y204 HydrophobicContact CZ-CE2 3.64Å; F198-Y204 AromaticContact CZ-CZ 3.83Å; S202-Y204 WeakPolarHBondContact O-CD1 3.34Å; S202-Y204 PolarHBondContact O-N 3.21Å; S202-Y204 PolarHBondContact OG-N 3.15Å; S202-Y204 PolarHBondContact OG-O 3.48Å; S202-Y204 VanDerWaalsContact OG-O 3.09Å; Y204-N226 WeakPolarHBondContact CE2-O 3.42Å; Y204-N226 PolarHBondContact OH-O 3.18Å; Y204-I228 HydrophobicContact CD1-CD1 4.33Å; Y204-I228 HydrophobicContact CD2-CD1 4.5Å; Y204-I228 HydrophobicContact CE1-CB 4.36Å; Y204-I228 HydrophobicContact CE1-CD1 3.85Å; Y204-I228 HydrophobicContact CE1-CG1 4.27Å; Y204-I228 HydrophobicContact CE2-CD1 4.06Å; Y204-I228 HydrophobicContact CE2-CG1 4.29Å; Y204-I228 PolarHBondContact OH-N 3.14Å; Y204-V231 HydrophobicContact CD1-CG1 4.47Å; Y204-V231 HydrophobicContact CE1-CB 4.13Å; Y204-V231 HydrophobicContact CE1-CG1 3.91Å; Y204-V231 HydrophobicContact CE1-CG2 4.18Å; Y204-W232 AromaticContact CZ-NE1 3.73Å; Y204-W232 PolarHBondContact OH-NE1 3.31Å
205P91.5Very high89.6Confident48 Ų4848.3 Ų48.331%0.31224%0.24SC..  trans-75143.4-179.929.3-35.3000112.7T169 I199 F207T169-P205 HydrophobicContact CG2-CB 3.9Å; I199-P205 HydrophobicContact CD1-CB 4.4Å; I199-P205 HydrophobicContact CG1-CB 4.37Å; P205-F207 VanDerWaalsContact C-N 3.28Å; P205-F207 PolarHBondContact O-N 3.24Å
206P91.9Very high89.1Confident1 Ų149.5 Ų49.51%0.00625%0.246CC..SBendtrans-64.6-32.3178.321.7-29000113.2V195 F198 Y225 N226 L247V195-P206 HydrophobicContact CB-CG 4.3Å; V195-P206 HydrophobicContact CG1-CG 3.85Å; V195-P206 HydrophobicContact CG2-CG 4.16Å; F198-P206 HydrophobicContact CB-CB 4.38Å; F198-P206 HydrophobicContact CB-CG 4.12Å; F198-P206 HydrophobicContact CD1-CB 3.79Å; F198-P206 VanDerWaalsContact CD1-CD 3.47Å; F198-P206 HydrophobicContact CD1-CG 4.01Å; F198-P206 HydrophobicContact CD2-CB 3.71Å; F198-P206 HydrophobicContact CD2-CG 4.37Å; F198-P206 HydrophobicContact CE1-CB 3.97Å; F198-P206 HydrophobicContact CE2-CB 3.9Å; F198-P206 HydrophobicContact CG-CB 3.68Å; F198-P206 HydrophobicContact CG-CG 3.9Å; F198-P206 HydrophobicContact CZ-CB 4.03Å; P206-Y225 HydrophobicContact CB-CD2 4.42Å; P206-Y225 HydrophobicContact CB-CG 4.21Å; P206-Y225 VanDerWaalsContact O-CA 3.32Å; P206-Y225 WeakPolarHBondContact O-CA 3.48Å; P206-Y225 VanDerWaalsContact O-CB 3.23Å; P206-Y225 WeakPolarHBondContact O-CB 3.37Å; P206-N226 PolarHBondContact O-N 3.32Å; P206-N226 VanDerWaalsContact O-N 3.1Å; P206-L247 HydrophobicContact CB-CD1 4.31Å; P206-L247 HydrophobicContact CG-CD1 4.45Å
207F90.8Very high88.6Confident0 Ų055.1 Ų55.10%027%0.27CS..SBendtrans-120.2124-179.5-48.1-72.1000109T169 W191 V195 P205 L216 Q219 I220 Y225 L247T169-F207 WeakPolarHBondContact CG2-O 3.29Å; W191-F207 AromaticContact CE2-CE2 3.99Å; W191-F207 HydrophobicContact CH2-CE2 4.11Å; W191-F207 AromaticContact CH2-CZ 3.66Å; W191-F207 HydrophobicContact CH2-CZ 3.66Å; W191-F207 HydrophobicContact CZ2-CD2 4.37Å; W191-F207 HydrophobicContact CZ2-CE1 4.4Å; W191-F207 AromaticContact CZ2-CE2 3.33Å; W191-F207 HydrophobicContact CZ2-CE2 3.33Å; W191-F207 AromaticContact CZ2-CZ 3.35Å; W191-F207 HydrophobicContact CZ2-CZ 3.35Å; V195-F207 HydrophobicContact CG2-CD2 4.42Å; V195-F207 HydrophobicContact CG2-CE2 4.12Å; P205-F207 VanDerWaalsContact C-N 3.28Å; P205-F207 PolarHBondContact O-N 3.24Å; F207-L216 HydrophobicContact CB-CD1 3.63Å; F207-Q219 HydrophobicContact CD1-CB 3.88Å; F207-I220 HydrophobicContact CB-CG1 3.98Å; F207-I220 HydrophobicContact CD1-CG1 4.04Å; F207-I220 HydrophobicContact CD2-CG1 3.88Å; F207-I220 HydrophobicContact CE1-CG1 4.5Å; F207-I220 HydrophobicContact CE2-CG1 4.41Å; F207-I220 HydrophobicContact CG-CG1 3.69Å; F207-Y225 HydrophobicContact CE1-CD1 4.07Å; F207-Y225 HydrophobicContact CE1-CG 4.3Å; F207-Y225 AromaticContact CZ-CD1 3.97Å; F207-Y225 HydrophobicContact CZ-CD1 3.97Å; F207-Y225 HydrophobicContact CZ-CG 4.34Å; F207-L247 HydrophobicContact CE2-CD2 4.48Å
208S85.8Confident88.1Confident43 Ų4359 Ų5930%0.30129%0.292SS..  trans-160.3145.6-178.9-179.40000110.3H210 T212 Q219S208-H210 PolarHBondContact O-N 3.22Å; S208-H210 WeakPolarHBondContact OG-CB 3.41Å; S208-H210 PolarHBondContact OG-N 2.84Å; S208-H210 VanDerWaalsContact OG-N 3.12Å; S208-T212 WeakPolarHBondContact O-CG2 3.49Å; S208-Q219 VanDerWaalsContact N-OE1 3.13Å; S208-Q219 PolarHBondContact O-NE2 3.11Å; S208-Q219 PolarHBondContact O-OE1 3.07Å
209E82.9Confident87.7Confident126 Ų12659.7 Ų59.759%0.58929%0.294SS*.  trans-80.90.8172.7-58.2-172146.800112R211 L216E209-R211 PolarHBondContact O-N 3.06Å; E209-L216 HydrophobicContact CG-CB 3.9Å; E209-L216 PolarHBondContact OE1-N 2.88Å; E209-L216 VanDerWaalsContact OE1-N 3.15Å
210H80.3Confident87.4Confident131 Ų13159.2 Ų59.261%0.60629%0.292SS*.THydrogen-bonded Turntrans-65.4120.6176.2-167.970000111.3S208 T212S208-H210 PolarHBondContact O-N 3.22Å; S208-H210 WeakPolarHBondContact OG-CB 3.41Å; S208-H210 PolarHBondContact OG-N 2.84Å; S208-H210 VanDerWaalsContact OG-N 3.12Å; H210-T212 PolarHBondContact O-N 3.35Å
211R74.3Confident87Confident231 Ų23160.9 Ų60.987%0.87230%0.302SS*.THydrogen-bonded Turntrans56.230.9175.3-60178.5-169.4-156.4-0.9114.6E209E209-R211 PolarHBondContact O-N 3.06Å
212T79.3Confident86.7Confident58 Ų5863.3 Ų63.336%0.35632%0.319SS..  trans-137.3151.5174.1179.40000110.8S208 H210 V214 Q219S208-T212 WeakPolarHBondContact O-CG2 3.49Å; H210-T212 PolarHBondContact O-N 3.35Å; T212-V214 PolarHBondContact OG1-N 3.01Å; T212-Q219 VanDerWaalsContact CG2-NE2 3.33Å
213Q81.5Confident86.5Confident205 Ų20563.7 Ų63.796%0.95833%0.325SS*.SBendtrans-92.4-9.4174.2-63.8-178.2200112.4
214V84.2Confident86.3Confident69 Ų6971 Ų7142%0.41836%0.355SS..SBendtrans-79.9126.4179.5-1730000108.5T212 D218 Q219T212-V214 PolarHBondContact OG1-N 3.01Å; V214-D218 HydrophobicContact CG1-CB 3.73Å; V214-Q219 HydrophobicContact CB-CG 3.94Å; V214-Q219 HydrophobicContact CG1-CG 3.62Å; V214-Q219 PolarHBondContact O-NE2 3.4Å
215S87.1Confident86Confident41 Ų4171.5 Ų71.529%0.28736%0.357SS..  trans-60.3151178.479.10000111.3K217 D218 Q219S215-K217 PolarHBondContact O-N 3.27Å; S215-D218 PolarHBondContact O-N 3.42Å; S215-D218 VanDerWaalsContact O-N 3.08Å; S215-D218 WeakPolarHBondContact OG-CB 3.4Å; S215-D218 PolarHBondContact OG-N 3.46Å; S215-D218 VanDerWaalsContact OG-N 3.15Å; S215-D218 PolarHBondContact OG-OD2 3.02Å; S215-Q219 WeakPolarHBondContact O-CG 3.3Å; S215-Q219 PolarHBondContact O-N 2.94Å
216L86Confident85.6Confident26 Ų2673.7 Ų73.714%0.13637%0.366CS..Hα-helixtrans-55.1-39.7178.1-17366.5000112.1P168 F207 E209 D218 Q219 I220P168-L216 HydrophobicContact CB-CD2 3.56Å; F207-L216 HydrophobicContact CB-CD1 3.63Å; E209-L216 HydrophobicContact CG-CB 3.9Å; E209-L216 PolarHBondContact OE1-N 2.88Å; E209-L216 VanDerWaalsContact OE1-N 3.15Å; L216-D218 PolarHBondContact O-N 3.1Å; L216-Q219 PolarHBondContact O-N 3.14Å; L216-I220 HydrophobicContact CD1-CD1 4.33Å; L216-I220 HydrophobicContact CG-CD1 3.94Å; L216-I220 WeakPolarHBondContact O-CG1 3.41Å; L216-I220 PolarHBondContact O-N 3.22Å
217K85.5Confident85.3Confident118 Ų11876.8 Ų76.851%0.51338%0.38SS..Hα-helixtrans-60.4-45.6177.2-177.5-179.2179.1-178.30111.9L176 S215 I220 T221L176-K217 HydrophobicContact CD1-CG 4.32Å; S215-K217 PolarHBondContact O-N 3.27Å; K217-I220 PolarHBondContact O-N 3.03Å; K217-T221 HydrophobicContact CG-CG2 4.35Å; K217-T221 WeakPolarHBondContact O-CB 3.38Å; K217-T221 VanDerWaalsContact O-CG2 3.31Å; K217-T221 WeakPolarHBondContact O-CG2 3.19Å; K217-T221 PolarHBondContact O-N 3.39Å; K217-T221 PolarHBondContact O-OG1 3.18Å
218D87.5Confident85.3Confident84 Ų8479.6 Ų79.645%0.44939%0.394SS..Hα-helixtrans-70.1-35.6-178.8-61.6-35.7000111.7V214 S215 L216 T221 S222V214-D218 HydrophobicContact CG1-CB 3.73Å; S215-D218 PolarHBondContact O-N 3.42Å; S215-D218 VanDerWaalsContact O-N 3.08Å; S215-D218 WeakPolarHBondContact OG-CB 3.4Å; S215-D218 PolarHBondContact OG-N 3.46Å; S215-D218 VanDerWaalsContact OG-N 3.15Å; S215-D218 PolarHBondContact OG-OD2 3.02Å; L216-D218 PolarHBondContact O-N 3.1Å; D218-T221 WeakPolarHBondContact CA-OG1 3.32Å; D218-T221 PolarHBondContact O-OG1 3.08Å; D218-S222 VanDerWaalsContact O-CB 3.22Å; D218-S222 WeakPolarHBondContact O-CB 3.23Å; D218-S222 PolarHBondContact O-N 3.37Å; D218-S222 PolarHBondContact O-OG 3.24Å
219Q88.9Confident85.5Confident13 Ų1381.8 Ų81.86%0.06141%0.408CS..Hα-helixtrans-61.1-49.4173.9-63.8175.644.900111.3F207 S208 T212 V214 S215 L216 S222 G223 K224F207-Q219 HydrophobicContact CD1-CB 3.88Å; S208-Q219 VanDerWaalsContact N-OE1 3.13Å; S208-Q219 PolarHBondContact O-NE2 3.11Å; S208-Q219 PolarHBondContact O-OE1 3.07Å; T212-Q219 VanDerWaalsContact CG2-NE2 3.33Å; V214-Q219 HydrophobicContact CB-CG 3.94Å; V214-Q219 HydrophobicContact CG1-CG 3.62Å; V214-Q219 PolarHBondContact O-NE2 3.4Å; S215-Q219 WeakPolarHBondContact O-CG 3.3Å; S215-Q219 PolarHBondContact O-N 2.94Å; L216-Q219 PolarHBondContact O-N 3.14Å; Q219-S222 PolarHBondContact O-OG 3.4Å; Q219-G223 PolarHBondContact O-N 3.46Å; Q219-G223 VanDerWaalsContact O-N 3.1Å; Q219-K224 PolarHBondContact O-N 3.48Å; Q219-K224 VanDerWaalsContact O-N 3.14Å
220I89.2Confident85.9Confident1 Ų182.6 Ų82.61%0.00541%0.411CS..Hα-helixtrans-63.1-52.5179.5-67.9167.6000110.2P168 L171 P173 L176 W191 F207 L216 K217 S222 G223P168-I220 WeakPolarHBondContact O-CD1 3.42Å; L171-I220 WeakPolarHBondContact O-CG2 3.39Å; P173-I220 HydrophobicContact CB-CG2 4.39Å; P173-I220 HydrophobicContact CG-CG2 3.91Å; P173-I220 WeakPolarHBondContact CG-O 3.36Å; L176-I220 HydrophobicContact CD1-CB 3.86Å; L176-I220 HydrophobicContact CD1-CD1 3.9Å; L176-I220 HydrophobicContact CD1-CG1 4.49Å; L176-I220 HydrophobicContact CD1-CG2 3.56Å; W191-I220 HydrophobicContact CZ2-CG2 3.85Å; F207-I220 HydrophobicContact CB-CG1 3.98Å; F207-I220 HydrophobicContact CD1-CG1 4.04Å; F207-I220 HydrophobicContact CD2-CG1 3.88Å; F207-I220 HydrophobicContact CE1-CG1 4.5Å; F207-I220 HydrophobicContact CE2-CG1 4.41Å; F207-I220 HydrophobicContact CG-CG1 3.69Å; L216-I220 HydrophobicContact CD1-CD1 4.33Å; L216-I220 HydrophobicContact CG-CD1 3.94Å; L216-I220 WeakPolarHBondContact O-CG1 3.41Å; L216-I220 PolarHBondContact O-N 3.22Å; K217-I220 PolarHBondContact O-N 3.03Å; I220-S222 VanDerWaalsContact C-N 3.28Å; I220-S222 PolarHBondContact O-N 3.41Å; I220-G223 PolarHBondContact O-N 2.92Å
221T87.6Confident86.4Confident39 Ų3978.1 Ų78.124%0.23939%0.393CS..Hα-helixtrans-68.1-24.6-175.653.90000114.2L176 V177 K217 D218L176-T221 HydrophobicContact CB-CG2 4.23Å; L176-T221 HydrophobicContact CD1-CG2 4.38Å; V177-T221 HydrophobicContact CG2-CG2 3.56Å; K217-T221 HydrophobicContact CG-CG2 4.35Å; K217-T221 WeakPolarHBondContact O-CB 3.38Å; K217-T221 VanDerWaalsContact O-CG2 3.31Å; K217-T221 WeakPolarHBondContact O-CG2 3.19Å; K217-T221 PolarHBondContact O-N 3.39Å; K217-T221 PolarHBondContact O-OG1 3.18Å; D218-T221 WeakPolarHBondContact CA-OG1 3.32Å; D218-T221 PolarHBondContact O-OG1 3.08Å
222S90.6Very high87.3Confident56 Ų5667.9 Ų67.939%0.39236%0.355SS..Hα-helixtrans-89-8.1172.2660000114D218 Q219 I220 K224D218-S222 VanDerWaalsContact O-CB 3.22Å; D218-S222 WeakPolarHBondContact O-CB 3.23Å; D218-S222 PolarHBondContact O-N 3.37Å; D218-S222 PolarHBondContact O-OG 3.24Å; Q219-S222 PolarHBondContact O-OG 3.4Å; I220-S222 VanDerWaalsContact C-N 3.28Å; I220-S222 PolarHBondContact O-N 3.41Å; S222-K224 PolarHBondContact O-N 3.47Å
223G89.8Confident88Confident17 Ų1769.2 Ų69.218%0.17537%0.371CS..THydrogen-bonded Turntrans63.421.2-175.300000113.4Q219 I220 Y225 V249Q219-G223 PolarHBondContact O-N 3.46Å; Q219-G223 VanDerWaalsContact O-N 3.1Å; I220-G223 PolarHBondContact O-N 2.92Å; G223-Y225 WeakPolarHBondContact O-CD1 3.41Å; G223-Y225 WeakPolarHBondContact O-CE1 3.18Å; G223-Y225 PolarHBondContact O-N 2.85Å; G223-V249 VanDerWaalsContact CA-CG2 3.43Å
224K86.9Confident88.4Confident158 Ų15865.7 Ų65.769%0.68736%0.355SS*.  trans-95.690.3-179.6-68.3-177.3-179.1179.10109.5Q219 S222Q219-K224 PolarHBondContact O-N 3.48Å; Q219-K224 VanDerWaalsContact O-N 3.14Å; S222-K224 PolarHBondContact O-N 3.47Å
225Y84.4Confident89Confident37 Ų3763.2 Ų63.215%0.14534%0.34CS..  trans-94.8151.917444.8-81.3000111.7F198 P206 F207 G223 F227 V243 K244 L247F198-Y225 HydrophobicContact CD2-CD2 4.06Å; F198-Y225 HydrophobicContact CD2-CE2 4.35Å; F198-Y225 AromaticContact CE2-CD2 3.65Å; F198-Y225 HydrophobicContact CE2-CD2 3.65Å; F198-Y225 HydrophobicContact CE2-CE2 4.18Å; P206-Y225 HydrophobicContact CB-CD2 4.42Å; P206-Y225 HydrophobicContact CB-CG 4.21Å; P206-Y225 VanDerWaalsContact O-CA 3.32Å; P206-Y225 WeakPolarHBondContact O-CA 3.48Å; P206-Y225 VanDerWaalsContact O-CB 3.23Å; P206-Y225 WeakPolarHBondContact O-CB 3.37Å; F207-Y225 HydrophobicContact CE1-CD1 4.07Å; F207-Y225 HydrophobicContact CE1-CG 4.3Å; F207-Y225 AromaticContact CZ-CD1 3.97Å; F207-Y225 HydrophobicContact CZ-CD1 3.97Å; F207-Y225 HydrophobicContact CZ-CG 4.34Å; G223-Y225 WeakPolarHBondContact O-CD1 3.41Å; G223-Y225 WeakPolarHBondContact O-CE1 3.18Å; G223-Y225 PolarHBondContact O-N 2.85Å; Y225-F227 HydrophobicContact CD2-CD2 4.04Å; Y225-F227 AromaticContact CD2-CE2 3.51Å; Y225-F227 HydrophobicContact CD2-CE2 3.51Å; Y225-F227 AromaticContact CD2-CZ 3.95Å; Y225-F227 HydrophobicContact CD2-CZ 3.95Å; Y225-F227 HydrophobicContact CE2-CD2 4.01Å; Y225-F227 HydrophobicContact CE2-CE1 4.49Å; Y225-F227 AromaticContact CE2-CE2 3.05Å; Y225-F227 HydrophobicContact CE2-CE2 3.05Å; Y225-F227 AromaticContact CE2-CZ 3.35Å; Y225-F227 HydrophobicContact CE2-CZ 3.35Å; Y225-F227 AromaticContact CZ-CE2 3.9Å; Y225-F227 PolarHBondContact O-N 3.22Å; Y225-V243 HydrophobicContact CE2-CG1 4.48Å; Y225-K244 WeakPolarHBondContact OH-CA 3.07Å; Y225-K244 WeakPolarHBondContact OH-CG 3.4Å; Y225-L247 HydrophobicContact CD1-CB 4.34Å; Y225-L247 HydrophobicContact CD1-CD1 4.12Å; Y225-L247 HydrophobicContact CD2-CD1 4.23Å; Y225-L247 HydrophobicContact CE1-CB 3.74Å; Y225-L247 HydrophobicContact CE1-CD1 4.08Å; Y225-L247 HydrophobicContact CE2-CD1 4.06Å; Y225-L247 HydrophobicContact CG-CD1 4.24Å
226N83.2Confident89.5Confident93 Ų9363 Ų6350%0.49734%0.339SS..  trans-78.3119.6-172.9-176.831.2000111.5F198 Y204 P206F198-N226 WeakPolarHBondContact CZ-O 3.5Å; Y204-N226 WeakPolarHBondContact CE2-O 3.42Å; Y204-N226 PolarHBondContact OH-O 3.18Å; P206-N226 PolarHBondContact O-N 3.32Å; P206-N226 VanDerWaalsContact O-N 3.1Å
227F85.6Confident90.1Very high67 Ų6768.7 Ų68.729%0.29436%0.364SS..  trans-104.4109.8171.2-88.4-72.1000110.4F198 Y225 P229 W232 L240F198-F227 HydrophobicContact CE2-CE1 4.15Å; F198-F227 HydrophobicContact CE2-CZ 4.3Å; Y225-F227 HydrophobicContact CD2-CD2 4.04Å; Y225-F227 AromaticContact CD2-CE2 3.51Å; Y225-F227 HydrophobicContact CD2-CE2 3.51Å; Y225-F227 AromaticContact CD2-CZ 3.95Å; Y225-F227 HydrophobicContact CD2-CZ 3.95Å; Y225-F227 HydrophobicContact CE2-CD2 4.01Å; Y225-F227 HydrophobicContact CE2-CE1 4.49Å; Y225-F227 AromaticContact CE2-CE2 3.05Å; Y225-F227 HydrophobicContact CE2-CE2 3.05Å; Y225-F227 AromaticContact CE2-CZ 3.35Å; Y225-F227 HydrophobicContact CE2-CZ 3.35Å; Y225-F227 AromaticContact CZ-CE2 3.9Å; Y225-F227 PolarHBondContact O-N 3.22Å; F227-P229 VanDerWaalsContact O-CD 3.28Å; F227-P229 WeakPolarHBondContact O-CD 3.49Å; F227-W232 HydrophobicContact CD1-CB 4.48Å; F227-W232 AromaticContact CD1-CD1 3.59Å; F227-W232 AromaticContact CD1-CD2 3.78Å; F227-W232 HydrophobicContact CD1-CD2 3.78Å; F227-W232 AromaticContact CD1-CE2 3.74Å; F227-W232 AromaticContact CD1-CG 3.71Å; F227-W232 HydrophobicContact CD1-CG 3.71Å; F227-W232 HydrophobicContact CD1-CZ2 4.48Å; F227-W232 AromaticContact CD1-NE1 3.57Å; F227-W232 AromaticContact CE1-CD2 3.56Å; F227-W232 HydrophobicContact CE1-CD2 3.56Å; F227-W232 AromaticContact CE1-CE2 3.52Å; F227-W232 AromaticContact CE1-CE3 3.92Å; F227-W232 HydrophobicContact CE1-CE3 3.92Å; F227-W232 HydrophobicContact CE1-CG 4Å; F227-W232 HydrophobicContact CE1-CH2 4.2Å; F227-W232 AromaticContact CE1-CZ2 3.89Å; F227-W232 HydrophobicContact CE1-CZ2 3.89Å; F227-W232 HydrophobicContact CE1-CZ3 4.21Å; F227-W232 AromaticContact CE1-NE1 3.85Å; F227-L240 HydrophobicContact CD1-CD1 4.31Å; F227-L240 HydrophobicContact CE1-CD1 3.18Å; F227-L240 HydrophobicContact CE2-CD1 4.39Å; F227-L240 HydrophobicContact CZ-CD1 3.21Å
228I89.8Confident90.7Very high58 Ų5868.5 Ų68.530%0.29736%0.364SS..  trans-87.4104.3170.9-55.7174.3000108.1Y204 E230 V231 W232Y204-I228 HydrophobicContact CD1-CD1 4.33Å; Y204-I228 HydrophobicContact CD2-CD1 4.5Å; Y204-I228 HydrophobicContact CE1-CB 4.36Å; Y204-I228 HydrophobicContact CE1-CD1 3.85Å; Y204-I228 HydrophobicContact CE1-CG1 4.27Å; Y204-I228 HydrophobicContact CE2-CD1 4.06Å; Y204-I228 HydrophobicContact CE2-CG1 4.29Å; Y204-I228 PolarHBondContact OH-N 3.14Å; I228-E230 VanDerWaalsContact CG2-OE2 3.24Å; I228-E230 WeakPolarHBondContact CG2-OE2 3.08Å; I228-E230 PolarHBondContact O-N 2.91Å; I228-E230 VanDerWaalsContact O-N 3.17Å; I228-V231 HydrophobicContact CB-CB 4.38Å; I228-V231 HydrophobicContact CB-CG2 4.09Å; I228-V231 HydrophobicContact CG2-CB 4.5Å; I228-V231 HydrophobicContact CG2-CG2 3.86Å; I228-V231 PolarHBondContact O-N 3Å; I228-W232 PolarHBondContact O-N 3.37Å
229P89.9Confident91.2Very high90 Ų9064.5 Ų64.558%0.58434%0.342SS*.Hα-helixtrans-56.7-36.3-170.4-26.436.8000113.5F227 V231 W232 A233F227-P229 VanDerWaalsContact O-CD 3.28Å; F227-P229 WeakPolarHBondContact O-CD 3.49Å; P229-V231 VanDerWaalsContact C-N 3.27Å; P229-V231 PolarHBondContact O-N 3.4Å; P229-W232 PolarHBondContact O-N 2.87Å; P229-A233 WeakPolarHBondContact O-CB 3.46Å; P229-A233 PolarHBondContact O-N 2.82Å
230E91.5Very high91.6Very high142 Ų14264.8 Ų64.866%0.66434%0.344SS*.Hα-helixtrans-64.6-32.8-178.6-58.673.8-15900112.1I228I228-E230 VanDerWaalsContact CG2-OE2 3.24Å; I228-E230 WeakPolarHBondContact CG2-OE2 3.08Å; I228-E230 PolarHBondContact O-N 2.91Å; I228-E230 VanDerWaalsContact O-N 3.17Å
231V90.6Very high92Very high37 Ų3767.7 Ų67.722%0.22436%0.36CS..Hα-helixtrans-77.5-40.9177.8178.70000110.9S202 Y204 I228 P229S202-V231 WeakPolarHBondContact O-CG1 3.35Å; Y204-V231 HydrophobicContact CD1-CG1 4.47Å; Y204-V231 HydrophobicContact CE1-CB 4.13Å; Y204-V231 HydrophobicContact CE1-CG1 3.91Å; Y204-V231 HydrophobicContact CE1-CG2 4.18Å; I228-V231 HydrophobicContact CB-CB 4.38Å; I228-V231 HydrophobicContact CB-CG2 4.09Å; I228-V231 HydrophobicContact CG2-CB 4.5Å; I228-V231 HydrophobicContact CG2-CG2 3.86Å; I228-V231 PolarHBondContact O-N 3Å; P229-V231 VanDerWaalsContact C-N 3.27Å; P229-V231 PolarHBondContact O-N 3.4Å
232W94.4Very high92.6Very high17 Ų1765.9 Ų65.96%0.06435%0.348CS..Hα-helixtrans-83.6-12.4-174.7-74.289000114F198 L201 Y204 F227 I228 P229 E234 V235 L240 V243F198-W232 HydrophobicContact CD1-CZ2 4.05Å; F198-W232 AromaticContact CD2-CH2 3.87Å; F198-W232 HydrophobicContact CD2-CH2 3.87Å; F198-W232 AromaticContact CD2-CZ2 3.44Å; F198-W232 HydrophobicContact CD2-CZ2 3.44Å; F198-W232 VanDerWaalsContact CD2-CZ2 3.44Å; F198-W232 AromaticContact CE1-CZ2 3.9Å; F198-W232 HydrophobicContact CE1-CZ2 3.9Å; F198-W232 AromaticContact CE2-CE2 3.9Å; F198-W232 HydrophobicContact CE2-CH2 4.07Å; F198-W232 AromaticContact CE2-CZ2 3.25Å; F198-W232 HydrophobicContact CE2-CZ2 3.25Å; F198-W232 HydrophobicContact CG-CH2 4.24Å; F198-W232 AromaticContact CG-CZ2 3.82Å; F198-W232 HydrophobicContact CG-CZ2 3.82Å; F198-W232 AromaticContact CZ-CE2 3.91Å; F198-W232 AromaticContact CZ-CZ2 3.5Å; F198-W232 HydrophobicContact CZ-CZ2 3.5Å; F198-W232 VanDerWaalsContact CZ-CZ2 3.5Å; F198-W232 AromaticContact CZ-NE1 3.73Å; L201-W232 HydrophobicContact CB-CH2 4.25Å; L201-W232 HydrophobicContact CB-CZ3 4.42Å; L201-W232 HydrophobicContact CD1-CH2 4.3Å; L201-W232 HydrophobicContact CD1-CZ3 4.21Å; Y204-W232 AromaticContact CZ-NE1 3.73Å; Y204-W232 PolarHBondContact OH-NE1 3.31Å; F227-W232 HydrophobicContact CD1-CB 4.48Å; F227-W232 AromaticContact CD1-CD1 3.59Å; F227-W232 AromaticContact CD1-CD2 3.78Å; F227-W232 HydrophobicContact CD1-CD2 3.78Å; F227-W232 AromaticContact CD1-CE2 3.74Å; F227-W232 AromaticContact CD1-CG 3.71Å; F227-W232 HydrophobicContact CD1-CG 3.71Å; F227-W232 HydrophobicContact CD1-CZ2 4.48Å; F227-W232 AromaticContact CD1-NE1 3.57Å; F227-W232 AromaticContact CE1-CD2 3.56Å; F227-W232 HydrophobicContact CE1-CD2 3.56Å; F227-W232 AromaticContact CE1-CE2 3.52Å; F227-W232 AromaticContact CE1-CE3 3.92Å; F227-W232 HydrophobicContact CE1-CE3 3.92Å; F227-W232 HydrophobicContact CE1-CG 4Å; F227-W232 HydrophobicContact CE1-CH2 4.2Å; F227-W232 AromaticContact CE1-CZ2 3.89Å; F227-W232 HydrophobicContact CE1-CZ2 3.89Å; F227-W232 HydrophobicContact CE1-CZ3 4.21Å; F227-W232 AromaticContact CE1-NE1 3.85Å; I228-W232 PolarHBondContact O-N 3.37Å; P229-W232 PolarHBondContact O-N 2.87Å; W232-E234 PolarHBondContact O-N 3.31Å; W232-V235 HydrophobicContact CE3-CB 3.9Å; W232-V235 HydrophobicContact CE3-CG1 3.84Å; W232-V235 HydrophobicContact CE3-CG2 4.1Å; W232-V235 HydrophobicContact CZ3-CB 4.4Å; W232-V235 HydrophobicContact CZ3-CG1 3.86Å; W232-V235 PolarHBondContact O-N 3.45Å; W232-L240 HydrophobicContact CD2-CD1 4.5Å; W232-L240 HydrophobicContact CE3-CB 4.39Å; W232-L240 HydrophobicContact CE3-CD1 3.78Å; W232-L240 HydrophobicContact CZ3-CB 4.33Å; W232-L240 HydrophobicContact CZ3-CD1 3.77Å; W232-V243 HydrophobicContact CH2-CG1 4.49Å; W232-V243 HydrophobicContact CH2-CG2 4.31Å
233A93.1Very high92.9Very high86 Ų8663.2 Ų63.271%0.71133%0.33SS*.THydrogen-bonded Turntrans-60.7-23.7175.300000113.7P229P229-A233 WeakPolarHBondContact O-CB 3.46Å; P229-A233 PolarHBondContact O-N 2.82Å
234E90.8Very high93.3Very high131 Ų13166.8 Ų66.861%0.61234%0.34SS*.THydrogen-bonded Turntrans-93.3-5.2177.3-66-176.4-119.900113.8R98 W232R98-E234 IonicContact CZ-OE1 3.36Å; R98-E234 IonicContact CZ-OE2 3.27Å; R98-E234 VanDerWaalsContact CZ-OE2 3.27Å; R98-E234 VanDerWaalsContact NH1-CD 3.28Å; R98-E234 IonicContact NH1-OE1 3.02Å; R98-E234 PolarHBondContact NH1-OE1 3.45Å; R98-E234 IonicContact NH1-OE2 3.42Å; R98-E234 PolarHBondContact NH1-OE2 3.43Å; R98-E234 IonicContact NH2-OE1 2.78Å; R98-E234 PolarHBondContact NH2-OE1 3.33Å; R98-E234 IonicContact NH2-OE2 2.61Å; R98-E234 PolarHBondContact NH2-OE2 3.14Å; W232-E234 PolarHBondContact O-N 3.31Å
235V96.2Very high93.9Very high16 Ų1662.2 Ų62.210%0.09732%0.32CS..SBendtrans-96.3136.2-178.8177.60000109.1L201 W232 A239L201-V235 HydrophobicContact CB-CG1 4.45Å; L201-V235 HydrophobicContact CB-CG2 4.33Å; L201-V235 HydrophobicContact CD1-CG1 4.19Å; L201-V235 HydrophobicContact CD2-CG1 4.15Å; W232-V235 HydrophobicContact CE3-CB 3.9Å; W232-V235 HydrophobicContact CE3-CG1 3.84Å; W232-V235 HydrophobicContact CE3-CG2 4.1Å; W232-V235 HydrophobicContact CZ3-CB 4.4Å; W232-V235 HydrophobicContact CZ3-CG1 3.86Å; W232-V235 PolarHBondContact O-N 3.45Å; V235-A239 HydrophobicContact CG1-CB 3.71Å
236S97.9Very high94.5Very high38 Ų3860.5 Ų60.527%0.26631%0.314SS..  trans-64.1145.5-179.5790000112.5E101 K238 A239 L240E101-S236 VanDerWaalsContact OE1-CB 3.29Å; E101-S236 WeakPolarHBondContact OE1-CB 3.37Å; E101-S236 PolarHBondContact OE1-OG 3.32Å; E101-S236 WeakPolarHBondContact OE2-CB 3.28Å; E101-S236 PolarHBondContact OE2-N 3.05Å; E101-S236 PolarHBondContact OE2-OG 2.9Å; S236-K238 PolarHBondContact O-N 3.14Å; S236-K238 VanDerWaalsContact O-N 3.13Å; S236-A239 WeakPolarHBondContact O-CB 3.46Å; S236-A239 PolarHBondContact O-N 3.36Å; S236-A239 PolarHBondContact OG-N 2.97Å; S236-L240 PolarHBondContact O-N 3.27Å
237E97.7Very high95.2Very high144 Ų14456.3 Ų56.367%0.67329%0.292SS*.Hα-helixtrans-55.1-32.4173.8-69.7-62.8155.100112.2D241E237-D241 WeakPolarHBondContact O-CB 3.2Å; E237-D241 PolarHBondContact O-N 3.45Å
238K98.6Very high95.7Very high115 Ų11555.1 Ų55.150%0.529%0.289SS..Hα-helixtrans-67.2-40.1176.6-70.1177.6-177.5-78.70112S236 L242 H263 W265S236-K238 PolarHBondContact O-N 3.14Å; S236-K238 VanDerWaalsContact O-N 3.13Å; K238-L242 PolarHBondContact O-N 3.27Å; K238-H263 PolarHBondContact O-CE1 3.32Å; K238-H263 VanDerWaalsContact O-CE1 3.23Å; K238-W265 HydrophobicContact CB-CB 3.95Å; K238-W265 HydrophobicContact CB-CG 4.25Å
239A98.4Very high95.9Very high0 Ų054.9 Ų54.90%029%0.291CS..Hα-helixtrans-66.7-47176.700000110.5L201 V235 S236 D241 L242 V243 W265L201-A239 HydrophobicContact CD1-CB 3.91Å; L201-A239 HydrophobicContact CD2-CB 4.27Å; V235-A239 HydrophobicContact CG1-CB 3.71Å; S236-A239 WeakPolarHBondContact O-CB 3.46Å; S236-A239 PolarHBondContact O-N 3.36Å; S236-A239 PolarHBondContact OG-N 2.97Å; A239-D241 VanDerWaalsContact C-N 3.34Å; A239-D241 PolarHBondContact O-N 2.84Å; A239-L242 PolarHBondContact O-N 3.37Å; A239-V243 PolarHBondContact O-N 3.04Å; A239-V243 VanDerWaalsContact O-N 3.1Å; A239-W265 HydrophobicContact CB-CD2 4.21Å; A239-W265 HydrophobicContact CB-CG 4.3Å; A239-W265 HydrophobicContact CB-CZ2 4.05Å
240L97.1Very high95.9Very high19 Ų1954.6 Ų54.610%0.09928%0.284CS..Hα-helixtrans-59.5-42.6177.7175.356.3000112.5F227 W232 S236 L242 V243 K244F227-L240 HydrophobicContact CD1-CD1 4.31Å; F227-L240 HydrophobicContact CE1-CD1 3.18Å; F227-L240 HydrophobicContact CE2-CD1 4.39Å; F227-L240 HydrophobicContact CZ-CD1 3.21Å; W232-L240 HydrophobicContact CD2-CD1 4.5Å; W232-L240 HydrophobicContact CE3-CB 4.39Å; W232-L240 HydrophobicContact CE3-CD1 3.78Å; W232-L240 HydrophobicContact CZ3-CB 4.33Å; W232-L240 HydrophobicContact CZ3-CD1 3.77Å; S236-L240 PolarHBondContact O-N 3.27Å; L240-L242 VanDerWaalsContact C-N 3.34Å; L240-L242 PolarHBondContact O-N 3.1Å; L240-V243 PolarHBondContact O-N 2.88Å; L240-K244 HydrophobicContact CD1-CD 4.41Å; L240-K244 HydrophobicContact CD1-CG 4.47Å; L240-K244 HydrophobicContact CG-CD 4.34Å; L240-K244 WeakPolarHBondContact O-CG 3.34Å; L240-K244 PolarHBondContact O-N 2.88Å
241D98.5Very high95.9Very high62 Ų6249 Ų4933%0.33226%0.261SS..Hα-helixtrans-62.4-39.9177.1-17747.2000112.1E237 A239 K244 K245 H263E237-D241 WeakPolarHBondContact O-CB 3.2Å; E237-D241 PolarHBondContact O-N 3.45Å; A239-D241 VanDerWaalsContact C-N 3.34Å; A239-D241 PolarHBondContact O-N 2.84Å; D241-K244 PolarHBondContact O-N 2.76Å; D241-K245 WeakPolarHBondContact O-CG 3.41Å; D241-K245 PolarHBondContact O-N 3.19Å; D241-K245 VanDerWaalsContact O-N 3.08Å; D241-K245 IonicContact OD1-NZ 3.48Å; D241-K245 PolarHBondContact OD1-NZ 2.84Å; D241-K245 IonicContact OD2-NZ 2.69Å; D241-K245 PolarHBondContact OD2-NZ 2.86Å; D241-H263 IonicContact OD2-CE1 2.7Å; D241-H263 IonicContact OD2-NE2 3.46Å; D241-H263 PolarHBondContact OD2-NE2 3.1Å
242L98.8Very high95.9Very high0 Ų054.7 Ų54.70%028%0.282CS..Hα-helixtrans-64.1-44.2174.7-177.355.6000112F108 L197 K238 A239 L240 K244 K245 L246 F255 A260 H263 W265 L266F108-L242 HydrophobicContact CD1-CD2 4.22Å; F108-L242 HydrophobicContact CE1-CD2 3.86Å; L197-L242 HydrophobicContact CD2-CB 4.47Å; L197-L242 HydrophobicContact CD2-CD2 4.01Å; L197-L242 HydrophobicContact CD2-CG 4.07Å; K238-L242 PolarHBondContact O-N 3.27Å; A239-L242 PolarHBondContact O-N 3.37Å; L240-L242 VanDerWaalsContact C-N 3.34Å; L240-L242 PolarHBondContact O-N 3.1Å; L242-K244 VanDerWaalsContact C-N 3.31Å; L242-K244 PolarHBondContact O-N 2.9Å; L242-K245 PolarHBondContact O-N 3.27Å; L242-L246 HydrophobicContact CD1-CD1 4.13Å; L242-L246 HydrophobicContact CD1-CG 4.33Å; L242-L246 HydrophobicContact CG-CD1 4.06Å; L242-L246 PolarHBondContact O-N 3.19Å; L242-L246 VanDerWaalsContact O-N 3.07Å; L242-F255 HydrophobicContact CD1-CD2 4.26Å; L242-A260 HydrophobicContact CD1-CB 4.05Å; L242-H263 HydrophobicContact CD1-CB 3.94Å; L242-W265 HydrophobicContact CD2-CD2 4.41Å; L242-W265 HydrophobicContact CD2-CE3 3.48Å; L242-W265 VanDerWaalsContact CD2-CE3 3.48Å; L242-W265 HydrophobicContact CD2-CZ3 4.04Å; L242-L266 HydrophobicContact CD2-CD1 4.36Å
243V98.3Very high95.9Very high0 Ų056.8 Ų56.80%030%0.303CS..Hα-helixtrans-56.6-46.9175.5170.50000110.6L197 F198 L201 Y225 W232 A239 L240 K245 L246 L247L197-V243 HydrophobicContact CB-CG2 4.3Å; L197-V243 HydrophobicContact CD2-CG2 3.61Å; L197-V243 HydrophobicContact CG-CG2 3.68Å; F198-V243 HydrophobicContact CB-CG1 4.21Å; F198-V243 HydrophobicContact CD2-CG1 3.84Å; L201-V243 HydrophobicContact CD1-CG2 3.93Å; Y225-V243 HydrophobicContact CE2-CG1 4.48Å; W232-V243 HydrophobicContact CH2-CG1 4.49Å; W232-V243 HydrophobicContact CH2-CG2 4.31Å; A239-V243 PolarHBondContact O-N 3.04Å; A239-V243 VanDerWaalsContact O-N 3.1Å; L240-V243 PolarHBondContact O-N 2.88Å; V243-K245 VanDerWaalsContact C-N 3.3Å; V243-K245 PolarHBondContact O-N 3.26Å; V243-L246 PolarHBondContact O-N 3.12Å; V243-L247 HydrophobicContact CG1-CD1 3.85Å; V243-L247 HydrophobicContact CG1-CG 4.38Å; V243-L247 WeakPolarHBondContact O-CB 3.38Å; V243-L247 PolarHBondContact O-N 3.39Å
244K97.8Very high96.1Very high92 Ų9253 Ų5340%0.427%0.271SS..Hα-helixtrans-60.5-37.1178.2-73.2169.8176.91720113Y225 L240 D241 L242 V248Y225-K244 WeakPolarHBondContact OH-CA 3.07Å; Y225-K244 WeakPolarHBondContact OH-CG 3.4Å; L240-K244 HydrophobicContact CD1-CD 4.41Å; L240-K244 HydrophobicContact CD1-CG 4.47Å; L240-K244 HydrophobicContact CG-CD 4.34Å; L240-K244 WeakPolarHBondContact O-CG 3.34Å; L240-K244 PolarHBondContact O-N 2.88Å; D241-K244 PolarHBondContact O-N 2.76Å; L242-K244 VanDerWaalsContact C-N 3.31Å; L242-K244 PolarHBondContact O-N 2.9Å; K244-V248 VanDerWaalsContact O-CG2 3.31Å; K244-V248 WeakPolarHBondContact O-CG2 3.32Å
245K98.5Very high96.5Very high62 Ų6248.8 Ų48.827%0.2725%0.25SS..Hα-helixtrans-74.5-24.9178.7-73.6172.3160.391.80113.8D241 L242 V243 V248 F255D241-K245 WeakPolarHBondContact O-CG 3.41Å; D241-K245 PolarHBondContact O-N 3.19Å; D241-K245 VanDerWaalsContact O-N 3.08Å; D241-K245 IonicContact OD1-NZ 3.48Å; D241-K245 PolarHBondContact OD1-NZ 2.84Å; D241-K245 IonicContact OD2-NZ 2.69Å; D241-K245 PolarHBondContact OD2-NZ 2.86Å; L242-K245 PolarHBondContact O-N 3.27Å; V243-K245 VanDerWaalsContact C-N 3.3Å; V243-K245 PolarHBondContact O-N 3.26Å; K245-V248 WeakPolarHBondContact O-CG2 3.16Å; K245-F255 HydrophobicContact CB-CB 4.39Å; K245-F255 HydrophobicContact CB-CD1 3.87Å; K245-F255 HydrophobicContact CB-CD2 4.03Å; K245-F255 HydrophobicContact CB-CE1 4.19Å; K245-F255 HydrophobicContact CB-CE2 4.36Å; K245-F255 HydrophobicContact CB-CG 3.81Å; K245-F255 HydrophobicContact CB-CZ 4.45Å; K245-F255 HydrophobicContact CD-CD1 4.34Å; K245-F255 HydrophobicContact CD-CD2 4.27Å; K245-F255 HydrophobicContact CD-CE1 3.81Å; K245-F255 HydrophobicContact CD-CE2 3.75Å; K245-F255 HydrophobicContact CD-CZ 3.51Å; K245-F255 HydrophobicContact CG-CD1 4.34Å; K245-F255 HydrophobicContact CG-CE1 4.19Å; K245-F255 HydrophobicContact CG-CZ 4.36Å; K245-F255 PolarHBondContact O-N 3.48Å; K245-F255 VanDerWaalsContact O-N 3.09Å
246L98.3Very high96.6Very high1 Ų150.7 Ų50.71%0.00526%0.262CS..Hα-helixtrans-87.1-34.4174.7-70.2167000112.7F108 C190 L197 L242 V243 V248 R254 F255 A260F108-L246 HydrophobicContact CE1-CD1 3.98Å; F108-L246 HydrophobicContact CZ-CD1 3.53Å; C190-L246 HydrophobicContact CB-CD2 4.27Å; L197-L246 HydrophobicContact CD2-CD1 4.44Å; L242-L246 HydrophobicContact CD1-CD1 4.13Å; L242-L246 HydrophobicContact CD1-CG 4.33Å; L242-L246 HydrophobicContact CG-CD1 4.06Å; L242-L246 PolarHBondContact O-N 3.19Å; L242-L246 VanDerWaalsContact O-N 3.07Å; V243-L246 PolarHBondContact O-N 3.12Å; L246-V248 PolarHBondContact O-N 3.24Å; L246-V248 VanDerWaalsContact O-N 3.16Å; L246-R254 WeakPolarHBondContact O-CD 3.32Å; L246-R254 WeakPolarHBondContact O-CG 3.36Å; L246-F255 HydrophobicContact CD2-CB 3.94Å; L246-F255 HydrophobicContact CG-CB 4.5Å; L246-A260 HydrophobicContact CD2-CB 4.45Å
247L97.3Very high96.6Very high6 Ų648.9 Ų48.93%0.03125%0.249CC..SBendtrans-88.142.3177.5-62.5-176.5000112.6W191 V195 F198 P206 F207 Y225 V243W191-L247 HydrophobicContact CD2-CD2 3.99Å; W191-L247 HydrophobicContact CE3-CD2 4.13Å; W191-L247 HydrophobicContact CG-CD2 4.5Å; W191-L247 HydrophobicContact CZ2-CD2 4.39Å; W191-L247 HydrophobicContact CZ3-CB 4.36Å; W191-L247 HydrophobicContact CZ3-CD2 4.41Å; V195-L247 HydrophobicContact CG2-CD2 3.8Å; F198-L247 HydrophobicContact CD2-CD1 4.35Å; P206-L247 HydrophobicContact CB-CD1 4.31Å; P206-L247 HydrophobicContact CG-CD1 4.45Å; F207-L247 HydrophobicContact CE2-CD2 4.48Å; Y225-L247 HydrophobicContact CD1-CB 4.34Å; Y225-L247 HydrophobicContact CD1-CD1 4.12Å; Y225-L247 HydrophobicContact CD2-CD1 4.23Å; Y225-L247 HydrophobicContact CE1-CB 3.74Å; Y225-L247 HydrophobicContact CE1-CD1 4.08Å; Y225-L247 HydrophobicContact CE2-CD1 4.06Å; Y225-L247 HydrophobicContact CG-CD1 4.24Å; V243-L247 HydrophobicContact CG1-CD1 3.85Å; V243-L247 HydrophobicContact CG1-CG 4.38Å; V243-L247 WeakPolarHBondContact O-CB 3.38Å; V243-L247 PolarHBondContact O-N 3.39Å
248V96.2Very high96.6Very high41 Ų4144.3 Ų44.325%0.24823%0.228CC..  trans-89.2129.6174.5176.90000109.5K244 K245 L246 A253 R254K244-V248 VanDerWaalsContact O-CG2 3.31Å; K244-V248 WeakPolarHBondContact O-CG2 3.32Å; K245-V248 WeakPolarHBondContact O-CG2 3.16Å; L246-V248 PolarHBondContact O-N 3.24Å; L246-V248 VanDerWaalsContact O-N 3.16Å; V248-A253 HydrophobicContact CG1-CB 3.92Å; V248-R254 HydrophobicContact CB-CB 4.17Å; V248-R254 HydrophobicContact CB-CG 4.43Å; V248-R254 VanDerWaalsContact O-CZ 3.3Å; V248-R254 PolarHBondContact O-NE 3.14Å; V248-R254 PolarHBondContact O-NH2 3.1Å
249V93.4Very high96.6Very high53 Ų5342.2 Ų42.232%0.32122%0.22SC..SBendtrans-64.8-45.8-177176.20000111.9P173 G223 P251 R254P173-V249 HydrophobicContact CB-CG1 4.04Å; P173-V249 HydrophobicContact CG-CG1 4.2Å; P173-V249 HydrophobicContact CG-CG2 4.45Å; G223-V249 VanDerWaalsContact CA-CG2 3.43Å; V249-P251 VanDerWaalsContact O-CD 3.24Å; V249-P251 WeakPolarHBondContact O-CD 3.41Å; V249-R254 PolarHBondContact O-NH2 2.82Å; V249-R254 VanDerWaalsContact O-NH2 3.13Å
250D91.2Very high96.6Very high84 Ų8442.2 Ų42.245%0.44922%0.22SC..SBendtrans-70.4112.8176.3179.72000110.2K252 A253 R254D250-K252 PolarHBondContact O-N 2.98Å; D250-K252 VanDerWaalsContact O-N 3.13Å; D250-K252 WeakPolarHBondContact OD1-CB 3.45Å; D250-K252 PolarHBondContact OD1-N 3.44Å; D250-A253 HydrophobicContact CB-CB 4.15Å; D250-A253 PolarHBondContact O-N 2.92Å; D250-R254 PolarHBondContact O-N 3.03Å
251P90.8Very high96.7Very high26 Ų2642.6 Ų42.617%0.16922%0.222CC..THydrogen-bonded Turntrans-63.7-19.1-178.427.3-35.9000113.4Y184 A187 V249Y184-P251 HydrophobicContact CD1-CB 4.28Å; Y184-P251 HydrophobicContact CD1-CG 3.82Å; Y184-P251 HydrophobicContact CE1-CG 4.46Å; Y184-P251 HydrophobicContact CG-CG 4.04Å; A187-P251 HydrophobicContact CB-CB 3.79Å; V249-P251 VanDerWaalsContact O-CD 3.24Å; V249-P251 WeakPolarHBondContact O-CD 3.41Å
252K90.8Very high96.7Very high156 Ų15647.4 Ų47.468%0.67824%0.235SC*.THydrogen-bonded Turntrans-79.5-25.3175.9-64.1-178.1180178.60113.1Y184 D250Y184-K252 HydrophobicContact CE1-CD 4.45Å; Y184-K252 HydrophobicContact CE1-CG 4.05Å; Y184-K252 WeakPolarHBondContact OH-CE 3.38Å; D250-K252 PolarHBondContact O-N 2.98Å; D250-K252 VanDerWaalsContact O-N 3.13Å; D250-K252 WeakPolarHBondContact OD1-CB 3.45Å; D250-K252 PolarHBondContact OD1-N 3.44Å
253A94.8Very high96.7Very high61 Ų6147.8 Ų47.850%0.50424%0.237SC..THydrogen-bonded Turntrans-96.5-11.6177.300000112.4V248 D250V248-A253 HydrophobicContact CG1-CB 3.92Å; D250-A253 HydrophobicContact CB-CB 4.15Å; D250-A253 PolarHBondContact O-N 2.92Å
254R96.9Very high96.8Very high7 Ų751.1 Ų51.13%0.02626%0.259CS..SBendtrans-68.9137.9176.9-168.6179.8-57141.76.8110.8E174 A187 L246 V248 V249 D250 T256E174-R254 IonicContact OE1-CZ 3.84Å; E174-R254 IonicContact OE1-NH1 3.14Å; E174-R254 PolarHBondContact OE1-NH1 2.89Å; E174-R254 IonicContact OE1-NH2 2.71Å; E174-R254 IonicContact OE2-CZ 2.77Å; E174-R254 IonicContact OE2-NH1 2.78Å; E174-R254 PolarHBondContact OE2-NH1 3.43Å; E174-R254 IonicContact OE2-NH2 3.37Å; E174-R254 PolarHBondContact OE2-NH2 3.32Å; A187-R254 VanDerWaalsContact C-NH1 3.35Å; A187-R254 WeakPolarHBondContact O-CD 3.5Å; A187-R254 PolarHBondContact O-NH1 3.5Å; L246-R254 WeakPolarHBondContact O-CD 3.32Å; L246-R254 WeakPolarHBondContact O-CG 3.36Å; V248-R254 HydrophobicContact CB-CB 4.17Å; V248-R254 HydrophobicContact CB-CG 4.43Å; V248-R254 VanDerWaalsContact O-CZ 3.3Å; V248-R254 PolarHBondContact O-NE 3.14Å; V248-R254 PolarHBondContact O-NH2 3.1Å; V249-R254 PolarHBondContact O-NH2 2.82Å; V249-R254 VanDerWaalsContact O-NH2 3.13Å; D250-R254 PolarHBondContact O-N 3.03Å; R254-T256 PolarHBondContact O-N 2.91Å
255F98.4Very high96.8Very high42 Ų4246.9 Ų46.918%0.18424%0.24CC..PPolyproline II helixtrans-57.5133.8177.2-100.632.8000112.6C190 L242 K245 L246 E259 A260 H263C190-F255 WeakPolarHBondContact CB-O 3.46Å; L242-F255 HydrophobicContact CD1-CD2 4.26Å; K245-F255 HydrophobicContact CB-CB 4.39Å; K245-F255 HydrophobicContact CB-CD1 3.87Å; K245-F255 HydrophobicContact CB-CD2 4.03Å; K245-F255 HydrophobicContact CB-CE1 4.19Å; K245-F255 HydrophobicContact CB-CE2 4.36Å; K245-F255 HydrophobicContact CB-CG 3.81Å; K245-F255 HydrophobicContact CB-CZ 4.45Å; K245-F255 HydrophobicContact CD-CD1 4.34Å; K245-F255 HydrophobicContact CD-CD2 4.27Å; K245-F255 HydrophobicContact CD-CE1 3.81Å; K245-F255 HydrophobicContact CD-CE2 3.75Å; K245-F255 HydrophobicContact CD-CZ 3.51Å; K245-F255 HydrophobicContact CG-CD1 4.34Å; K245-F255 HydrophobicContact CG-CE1 4.19Å; K245-F255 HydrophobicContact CG-CZ 4.36Å; K245-F255 PolarHBondContact O-N 3.48Å; K245-F255 VanDerWaalsContact O-N 3.09Å; L246-F255 HydrophobicContact CD2-CB 3.94Å; L246-F255 HydrophobicContact CG-CB 4.5Å; F255-E259 VanDerWaalsContact CA-OE2 3.31Å; F255-E259 WeakPolarHBondContact CA-OE2 3.19Å; F255-E259 HydrophobicContact CB-CB 4.39Å; F255-E259 HydrophobicContact CD1-CB 4.2Å; F255-E259 HydrophobicContact CD2-CB 3.74Å; F255-E259 HydrophobicContact CE1-CB 4.34Å; F255-E259 HydrophobicContact CE2-CB 3.88Å; F255-E259 HydrophobicContact CG-CB 3.87Å; F255-E259 HydrophobicContact CZ-CB 4.16Å; F255-A260 HydrophobicContact CD2-CB 4.34Å; F255-H263 AromaticContact CE2-CD2 3.96Å
256T98.2Very high96.8Very high55 Ų5544 Ų4434%0.33723%0.228SC..PPolyproline II helixtrans-76.8170.316580.70000111.1R254 E258 E259 A260R254-T256 PolarHBondContact O-N 2.91Å; T256-E258 VanDerWaalsContact C-N 3.29Å; T256-E258 WeakPolarHBondContact CB-OE2 3.36Å; T256-E258 PolarHBondContact O-N 2.62Å; T256-E258 PolarHBondContact OG1-N 2.97Å; T256-E258 PolarHBondContact OG1-OE2 3.27Å; T256-E259 PolarHBondContact N-OE2 3.33Å; T256-E259 PolarHBondContact O-N 3.23Å; T256-E259 PolarHBondContact OG1-N 3.27Å; T256-A260 WeakPolarHBondContact O-CB 3.32Å; T256-A260 PolarHBondContact O-N 3.04Å
257T98.4Very high96.8Very high1 Ų148.5 Ų48.51%0.00625%0.249CC..Hα-helixtrans-62.9-37.1173.949.10000111.8L112 V115 L193 A260 L261L112-T257 HydrophobicContact CD2-CG2 4.02Å; V115-T257 HydrophobicContact CB-CG2 4.02Å; V115-T257 HydrophobicContact CG1-CG2 3.72Å; L193-T257 HydrophobicContact CD1-CG2 4.36Å; T257-A260 PolarHBondContact O-N 3.35Å; T257-L261 WeakPolarHBondContact O-CB 3.24Å; T257-L261 VanDerWaalsContact O-CG 3.29Å; T257-L261 WeakPolarHBondContact O-CG 3.34Å; T257-L261 PolarHBondContact O-N 2.99Å
258E98.5Very high96.9Very high47 Ų4750.1 Ų50.122%0.2226%0.258CS..Hα-helixtrans-66.3-38.5177.7-55.681.5-179.400111.9R186 T256 R262R186-E258 IonicContact NH2-OE1 2.58Å; T256-E258 VanDerWaalsContact C-N 3.29Å; T256-E258 WeakPolarHBondContact CB-OE2 3.36Å; T256-E258 PolarHBondContact O-N 2.62Å; T256-E258 PolarHBondContact OG1-N 2.97Å; T256-E258 PolarHBondContact OG1-OE2 3.27Å; E258-R262 WeakPolarHBondContact O-CG 3.35Å; E258-R262 VanDerWaalsContact O-CZ 3.23Å; E258-R262 PolarHBondContact O-N 2.7Å; E258-R262 PolarHBondContact O-NE 3.49Å; E258-R262 PolarHBondContact O-NH1 3.22Å
259E98.7Very high97Very high72 Ų7253.6 Ų53.634%0.33627%0.271SS..Hα-helixtrans-69.2-42.8174.6-66.8176.1138.700111.6F255 T256 R262 H263F255-E259 VanDerWaalsContact CA-OE2 3.31Å; F255-E259 WeakPolarHBondContact CA-OE2 3.19Å; F255-E259 HydrophobicContact CB-CB 4.39Å; F255-E259 HydrophobicContact CD1-CB 4.2Å; F255-E259 HydrophobicContact CD2-CB 3.74Å; F255-E259 HydrophobicContact CE1-CB 4.34Å; F255-E259 HydrophobicContact CE2-CB 3.88Å; F255-E259 HydrophobicContact CG-CB 3.87Å; F255-E259 HydrophobicContact CZ-CB 4.16Å; T256-E259 PolarHBondContact N-OE2 3.33Å; T256-E259 PolarHBondContact O-N 3.23Å; T256-E259 PolarHBondContact OG1-N 3.27Å; E259-R262 PolarHBondContact O-N 2.95Å; E259-H263 PolarHBondContact O-N 3.24Å
260A98.8Very high97.2Very high0 Ų056.5 Ų56.50%029%0.285CS..Hα-helixtrans-60.9-45.9175.700000111.7L112 L242 L246 F255 T256 T257 R262 H263 L266L112-A260 HydrophobicContact CD1-CB 3.9Å; L112-A260 HydrophobicContact CD2-CB 3.67Å; L112-A260 HydrophobicContact CG-CB 4.47Å; L242-A260 HydrophobicContact CD1-CB 4.05Å; L246-A260 HydrophobicContact CD2-CB 4.45Å; F255-A260 HydrophobicContact CD2-CB 4.34Å; T256-A260 WeakPolarHBondContact O-CB 3.32Å; T256-A260 PolarHBondContact O-N 3.04Å; T257-A260 PolarHBondContact O-N 3.35Å; A260-R262 PolarHBondContact O-N 3.06Å; A260-H263 WeakPolarHBondContact O-CB 3.31Å; A260-H263 PolarHBondContact O-N 3.35Å; A260-L266 WeakPolarHBondContact O-CD1 3.31Å
261L98.8Very high97.6Very high27 Ų2753 Ų5314%0.14127%0.266CS..Hα-helixtrans-61.5-27.5177-75.7165.5000113.4Y109 L112 L113 Q116 T257 H263 Q267Y109-L261 HydrophobicContact CD2-CD2 3.67Å; Y109-L261 HydrophobicContact CE2-CD2 3.61Å; L112-L261 HydrophobicContact CB-CD1 4.44Å; L112-L261 HydrophobicContact CB-CD2 3.74Å; L112-L261 HydrophobicContact CB-CG 3.93Å; L112-L261 HydrophobicContact CD1-CD2 4.13Å; L112-L261 HydrophobicContact CD1-CG 4.25Å; L113-L261 HydrophobicContact CD2-CD1 4.16Å; L113-L261 HydrophobicContact CD2-CD2 4.1Å; L113-L261 HydrophobicContact CG-CD2 4.43Å; Q116-L261 HydrophobicContact CB-CD1 4.45Å; T257-L261 WeakPolarHBondContact O-CB 3.24Å; T257-L261 VanDerWaalsContact O-CG 3.29Å; T257-L261 WeakPolarHBondContact O-CG 3.34Å; T257-L261 PolarHBondContact O-N 2.99Å; L261-H263 VanDerWaalsContact C-N 3.34Å; L261-Q267 PolarHBondContact O-NE2 3.27Å
262R98.8Very high97.9Very high162 Ų16253.8 Ų53.861%0.61127%0.267SS*.THydrogen-bonded Turntrans-84-5.4172.8-70.7-173.4-64.7-94.6-0.7113.7E258 E259 A260 Q267E258-R262 WeakPolarHBondContact O-CG 3.35Å; E258-R262 VanDerWaalsContact O-CZ 3.23Å; E258-R262 PolarHBondContact O-N 2.7Å; E258-R262 PolarHBondContact O-NE 3.49Å; E258-R262 PolarHBondContact O-NH1 3.22Å; E259-R262 PolarHBondContact O-N 2.95Å; A260-R262 PolarHBondContact O-N 3.06Å; R262-Q267 PolarHBondContact O-NE2 3.39Å
263H98.9Very high98.3Very high8 Ų853.5 Ų53.54%0.03726%0.261CS..SBendtrans-63.7142.7-177.1-166.9-99.1000111.6K238 D241 L242 F255 E259 A260 L261 W265 L266 Q267K238-H263 PolarHBondContact O-CE1 3.32Å; K238-H263 VanDerWaalsContact O-CE1 3.23Å; D241-H263 IonicContact OD2-CE1 2.7Å; D241-H263 IonicContact OD2-NE2 3.46Å; D241-H263 PolarHBondContact OD2-NE2 3.1Å; L242-H263 HydrophobicContact CD1-CB 3.94Å; F255-H263 AromaticContact CE2-CD2 3.96Å; E259-H263 PolarHBondContact O-N 3.24Å; A260-H263 WeakPolarHBondContact O-CB 3.31Å; A260-H263 PolarHBondContact O-N 3.35Å; L261-H263 VanDerWaalsContact C-N 3.34Å; H263-W265 WeakPolarHBondContact ND1-CB 3.43Å; H263-W265 PolarHBondContact ND1-N 3.05Å; H263-W265 PolarHBondContact O-N 2.87Å; H263-L266 PolarHBondContact O-N 3.43Å; H263-Q267 PolarHBondContact O-N 3.02Å; H263-Q267 PolarHBondContact O-NE2 3.32Å
264P98.8Very high98.5Very high70 Ų7054 Ų5446%0.45525%0.252SS..THydrogen-bonded Turntrans-56.4-23.2-180-29.536.6000115.6L266P264-L266 VanDerWaalsContact C-N 3.31Å
265W98.8Very high98.6Very high3 Ų354 Ų541%0.01125%0.252CS..THydrogen-bonded Turntrans-67.7-31.3176.2-171.861.6000113E101 C104 K105 F108 L197 L201 K238 A239 L242 H263E101-W265 HydrophobicContact CG-CZ2 3.9Å; E101-W265 PolarHBondContact OE1-NE1 2.99Å; C104-W265 HydrophobicContact CB-CH2 4.24Å; C104-W265 HydrophobicContact CB-CZ2 4.46Å; K105-W265 VanDerWaalsContact CA-CH2 3.45Å; K105-W265 HydrophobicContact CB-CH2 3.83Å; K105-W265 HydrophobicContact CB-CZ2 3.76Å; K105-W265 HydrophobicContact CB-CZ3 4.39Å; K105-W265 WeakPolarHBondContact CD-O 3.44Å; K105-W265 WeakPolarHBondContact CE-O 3.48Å; K105-W265 HydrophobicContact CG-CD2 4.35Å; K105-W265 HydrophobicContact CG-CE3 4.32Å; K105-W265 HydrophobicContact CG-CH2 4.16Å; K105-W265 HydrophobicContact CG-CZ2 4.13Å; K105-W265 HydrophobicContact CG-CZ3 4.25Å; K105-W265 PolarHBondContact NZ-O 2.96Å; F108-W265 HydrophobicContact CB-CZ3 4.21Å; F108-W265 AromaticContact CD1-CZ3 3.91Å; F108-W265 HydrophobicContact CD1-CZ3 3.91Å; F108-W265 HydrophobicContact CG-CZ3 4.36Å; L197-W265 HydrophobicContact CD1-CH2 3.58Å; L197-W265 HydrophobicContact CD1-CZ3 3.83Å; L197-W265 HydrophobicContact CD2-CZ3 4.23Å; L201-W265 HydrophobicContact CD2-CZ2 4.36Å; K238-W265 HydrophobicContact CB-CB 3.95Å; K238-W265 HydrophobicContact CB-CG 4.25Å; A239-W265 HydrophobicContact CB-CD2 4.21Å; A239-W265 HydrophobicContact CB-CG 4.3Å; A239-W265 HydrophobicContact CB-CZ2 4.05Å; L242-W265 HydrophobicContact CD2-CD2 4.41Å; L242-W265 HydrophobicContact CD2-CE3 3.48Å; L242-W265 VanDerWaalsContact CD2-CE3 3.48Å; L242-W265 HydrophobicContact CD2-CZ3 4.04Å; H263-W265 WeakPolarHBondContact ND1-CB 3.43Å; H263-W265 PolarHBondContact ND1-N 3.05Å; H263-W265 PolarHBondContact O-N 2.87Å
266L98.7Very high98.6Very high1 Ų156.7 Ų56.71%0.00527%0.265CS..THydrogen-bonded Turntrans-97.3-0.2-179-66.6175000113.6K105 Y109 L112 L242 A260 H263 P264 D268 M271 K272K105-L266 HydrophobicContact CG-CD2 3.72Å; Y109-L266 HydrophobicContact CD2-CD2 4.44Å; L112-L266 HydrophobicContact CD1-CD1 3.25Å; L242-L266 HydrophobicContact CD2-CD1 4.36Å; A260-L266 WeakPolarHBondContact O-CD1 3.31Å; H263-L266 PolarHBondContact O-N 3.43Å; P264-L266 VanDerWaalsContact C-N 3.31Å; L266-D268 PolarHBondContact O-N 2.87Å; L266-M271 HydrophobicContact CD2-CE 4.23Å; L266-K272 WeakPolarHBondContact O-CE 3.46Å
267Q98.5Very high98.5Very high96 Ų9658.6 Ų58.645%0.44927%0.273SS..  trans-80.562.5170.9-54.2-38.7-57.100110.1L261 R262 H263L261-Q267 PolarHBondContact O-NE2 3.27Å; R262-Q267 PolarHBondContact O-NE2 3.39Å; H263-Q267 PolarHBondContact O-N 3.02Å; H263-Q267 PolarHBondContact O-NE2 3.32Å
268D98.3Very high98.5Very high41 Ų4159.8 Ų59.822%0.21928%0.28CS..  trans-126.2103.9-175.8-176.1-27.1000108.7K105 L266 D270 M271 K272K105-D268 HydrophobicContact CD-CB 3.84Å; K105-D268 WeakPolarHBondContact CD-OD2 3.38Å; K105-D268 IonicContact NZ-OD2 2.76Å; K105-D268 PolarHBondContact NZ-OD2 3.28Å; L266-D268 PolarHBondContact O-N 2.87Å; D268-D270 VanDerWaalsContact C-N 3.33Å; D268-D270 PolarHBondContact OD1-N 3.43Å; D268-D270 VanDerWaalsContact OD1-N 3.16Å; D268-M271 HydrophobicContact CB-CB 4.06Å; D268-M271 PolarHBondContact OD1-N 3.41Å; D268-K272 WeakPolarHBondContact O-CG 3.45Å; D268-K272 PolarHBondContact O-N 3.32Å; D268-K272 VanDerWaalsContact O-N 3.14Å
269E98.3Very high98.4Very high114 Ų11458.5 Ų58.553%0.53327%0.274SS..Hα-helixtrans-71.7-26.9-175.3-66.8-56126.500112.9K272 R273E269-K272 PolarHBondContact O-N 3.06Å; E269-K272 IonicContact OE1-NZ 2.9Å; E269-K272 PolarHBondContact OE1-NZ 3.34Å; E269-R273 VanDerWaalsContact O-CB 3.28Å; E269-R273 WeakPolarHBondContact O-CB 3.47Å; E269-R273 PolarHBondContact O-N 2.86Å
270D98.4Very high98.3Very high113 Ų11358 Ų5860%0.60428%0.278SS*.Hα-helixtrans-72-41.8177.8-67.8-30.4000110.6D268 R273 K274D268-D270 VanDerWaalsContact C-N 3.33Å; D268-D270 PolarHBondContact OD1-N 3.43Å; D268-D270 VanDerWaalsContact OD1-N 3.16Å; D270-R273 PolarHBondContact O-N 3.36Å; D270-K274 WeakPolarHBondContact O-CB 3.29Å; D270-K274 PolarHBondContact O-N 3.41Å
271M98.6Very high98.1Very high11 Ų1164.4 Ų64.45%0.05431%0.309CS..Hα-helixtrans-61.2-45.5172-179.5-77.8-63.800111.5K105 L106 Y109 L266 D268 R273 K274 F275K105-M271 HydrophobicContact CB-CG 4.47Å; K105-M271 HydrophobicContact CD-CB 4.27Å; K105-M271 HydrophobicContact CD-CE 4.45Å; K105-M271 HydrophobicContact CD-CG 4.2Å; K105-M271 HydrophobicContact CG-CE 4.28Å; K105-M271 HydrophobicContact CG-CG 4.14Å; L106-M271 HydrophobicContact CB-CG 4.19Å; L106-M271 HydrophobicContact CD1-CG 4.31Å; L106-M271 HydrophobicContact CD1-SD 4.28Å; Y109-M271 HydrophobicContact CD1-CE 4Å; Y109-M271 HydrophobicContact CD1-SD 3.66Å; Y109-M271 HydrophobicContact CD2-CE 3.77Å; Y109-M271 HydrophobicContact CD2-SD 4.49Å; Y109-M271 HydrophobicContact CE1-SD 4.45Å; Y109-M271 HydrophobicContact CE2-CE 4.4Å; Y109-M271 HydrophobicContact CG-CE 3.54Å; Y109-M271 HydrophobicContact CG-SD 3.69Å; L266-M271 HydrophobicContact CD2-CE 4.23Å; D268-M271 HydrophobicContact CB-CB 4.06Å; D268-M271 PolarHBondContact OD1-N 3.41Å; M271-R273 PolarHBondContact O-N 3.32Å; M271-K274 PolarHBondContact O-N 3Å; M271-F275 PolarHBondContact O-N 3.36Å
272K98.6Very high97.7Very high43 Ų4365.1 Ų65.119%0.18731%0.311CS..Hα-helixtrans-63-42.6178-70.7174.8-169168.60112Y109 L266 D268 E269 F275 Q276Y109-K272 HydrophobicContact CE1-CG 4.49Å; L266-K272 WeakPolarHBondContact O-CE 3.46Å; D268-K272 WeakPolarHBondContact O-CG 3.45Å; D268-K272 PolarHBondContact O-N 3.32Å; D268-K272 VanDerWaalsContact O-N 3.14Å; E269-K272 PolarHBondContact O-N 3.06Å; E269-K272 IonicContact OE1-NZ 2.9Å; E269-K272 PolarHBondContact OE1-NZ 3.34Å; K272-F275 PolarHBondContact O-N 3.4Å; K272-Q276 WeakPolarHBondContact O-CG 3.39Å; K272-Q276 PolarHBondContact O-N 2.91Å; K272-Q276 VanDerWaalsContact O-N 3.1Å
273R98.5Very high97.2Very high149 Ų14962 Ų6256%0.56231%0.306SS*.Hα-helixtrans-60-48.8175.6-172.4-166.4-46.4-87.4-5.4110.8E269 D270 M271 F275 Q276 D277E269-R273 VanDerWaalsContact O-CB 3.28Å; E269-R273 WeakPolarHBondContact O-CB 3.47Å; E269-R273 PolarHBondContact O-N 2.86Å; D270-R273 PolarHBondContact O-N 3.36Å; M271-R273 PolarHBondContact O-N 3.32Å; R273-F275 VanDerWaalsContact C-N 3.27Å; R273-F275 PolarHBondContact O-N 3.47Å; R273-Q276 WeakPolarHBondContact O-CA 3.47Å; R273-Q276 WeakPolarHBondContact O-CB 3.36Å; R273-Q276 PolarHBondContact O-N 2.7Å; R273-D277 PolarHBondContact O-N 3.09Å
274K98.4Very high96.7Very high73 Ų7369 Ų6932%0.31734%0.339SS..Hα-helixtrans-55-42.7176.8-178.3179.7-69.9-1670112.1L106 D141 D270 M271 D277 L278L106-K274 HydrophobicContact CD2-CD 3.87Å; L106-K274 HydrophobicContact CD2-CG 4.44Å; D141-K274 HydrophobicContact CB-CD 4.07Å; D141-K274 WeakPolarHBondContact OD1-CD 3.38Å; D141-K274 IonicContact OD1-NZ 3.85Å; D141-K274 PolarHBondContact OD1-NZ 3.45Å; D141-K274 WeakPolarHBondContact OD2-CE 3.38Å; D141-K274 IonicContact OD2-NZ 3.77Å; D141-K274 PolarHBondContact OD2-NZ 2.78Å; D270-K274 WeakPolarHBondContact O-CB 3.29Å; D270-K274 PolarHBondContact O-N 3.41Å; M271-K274 PolarHBondContact O-N 3Å; K274-D277 PolarHBondContact O-N 3.23Å; K274-L278 HydrophobicContact CG-CD1 4.35Å; K274-L278 WeakPolarHBondContact O-CG 3.43Å; K274-L278 PolarHBondContact O-N 3.16Å
275F98.6Very high95.6Very high5 Ų569.8 Ų69.82%0.02235%0.347CS..Hα-helixtrans-62-42.1174.2172-117.3000112.9L106 Y109 Q110 L113 L143 M271 K272 R273 L278 L279L106-F275 HydrophobicContact CD1-CB 4.05Å; Y109-F275 HydrophobicContact CD1-CD1 4.27Å; Y109-F275 HydrophobicContact CD1-CG 4.43Å; Y109-F275 AromaticContact CE1-CD1 3.71Å; Y109-F275 HydrophobicContact CE1-CD1 3.71Å; Y109-F275 HydrophobicContact CE1-CE1 4.16Å; Y109-F275 HydrophobicContact CE1-CG 4.28Å; Q110-F275 HydrophobicContact CG-CD2 3.58Å; Q110-F275 HydrophobicContact CG-CE2 3.57Å; Q110-F275 HydrophobicContact CG-CG 4.39Å; Q110-F275 HydrophobicContact CG-CZ 4.36Å; L113-F275 HydrophobicContact CD1-CD1 4.39Å; L113-F275 HydrophobicContact CD1-CE1 3.6Å; L113-F275 HydrophobicContact CD1-CZ 3.93Å; L143-F275 HydrophobicContact CD2-CD2 3.81Å; L143-F275 HydrophobicContact CD2-CE2 3.72Å; M271-F275 PolarHBondContact O-N 3.36Å; K272-F275 PolarHBondContact O-N 3.4Å; R273-F275 VanDerWaalsContact C-N 3.27Å; R273-F275 PolarHBondContact O-N 3.47Å; F275-L278 PolarHBondContact O-N 3.2Å; F275-L279 HydrophobicContact CD1-CD1 4.26Å; F275-L279 HydrophobicContact CD2-CG 4.31Å; F275-L279 HydrophobicContact CE1-CD1 3.65Å; F275-L279 HydrophobicContact CE1-CG 4.34Å; F275-L279 HydrophobicContact CE2-CD1 4.03Å; F275-L279 HydrophobicContact CE2-CD2 3.94Å; F275-L279 HydrophobicContact CE2-CG 3.85Å; F275-L279 HydrophobicContact CZ-CD1 3.53Å; F275-L279 HydrophobicContact CZ-CD2 4.07Å; F275-L279 HydrophobicContact CZ-CG 3.9Å; F275-L279 WeakPolarHBondContact O-CG 3.4Å; F275-L279 PolarHBondContact O-N 2.7Å
276Q98.3Very high94.3Very high99 Ų9973.9 Ų73.946%0.46337%0.372SS..Hα-helixtrans-65.3-37.8176.8-65.5-57.5-44.400112.9K272 R273 L279 S280K272-Q276 WeakPolarHBondContact O-CG 3.39Å; K272-Q276 PolarHBondContact O-N 2.91Å; K272-Q276 VanDerWaalsContact O-N 3.1Å; R273-Q276 WeakPolarHBondContact O-CA 3.47Å; R273-Q276 WeakPolarHBondContact O-CB 3.36Å; R273-Q276 PolarHBondContact O-N 2.7Å; Q276-L279 PolarHBondContact O-N 3.42Å; Q276-S280 PolarHBondContact O-N 3.16Å; Q276-S280 PolarHBondContact O-OG 3.42Å
277D98.1Very high92.8Very high95 Ų9577 Ų7751%0.50840%0.398SS..Hα-helixtrans-63.5-46.5176.6-63-23.2000110.2R273 K274 L279 S280 E281R273-D277 PolarHBondContact O-N 3.09Å; K274-D277 PolarHBondContact O-N 3.23Å; D277-L279 VanDerWaalsContact C-N 3.34Å; D277-L279 PolarHBondContact O-N 3.04Å; D277-S280 WeakPolarHBondContact O-CB 3.28Å; D277-S280 PolarHBondContact O-N 3.18Å; D277-S280 VanDerWaalsContact O-N 3.14Å; D277-E281 PolarHBondContact O-N 3.13Å
278L97.9Very high90.7Very high26 Ų2679.9 Ų79.914%0.13642%0.416CS..Hα-helixtrans-60.1-38.8175.3-71.5169.5000113L106 L143 K274 F275 E282L106-L278 HydrophobicContact CD2-CD1 4.22Å; L143-L278 HydrophobicContact CD2-CB 3.75Å; L143-L278 HydrophobicContact CG-CB 4Å; K274-L278 HydrophobicContact CG-CD1 4.35Å; K274-L278 WeakPolarHBondContact O-CG 3.43Å; K274-L278 PolarHBondContact O-N 3.16Å; F275-L278 PolarHBondContact O-N 3.2Å; L278-E282 PolarHBondContact O-N 3.46Å; L278-E282 VanDerWaalsContact O-N 3.1Å
279L96.9Very high88.3Confident20 Ų2083.6 Ų83.611%0.10544%0.442CS..Hα-helixtrans-65.9-39.2174.8-73.8-178.2000112.4P63 L143 F275 Q276 D277 E282 N283P63-L279 HydrophobicContact CB-CD2 3.44Å; P63-L279 VanDerWaalsContact CB-CD2 3.44Å; P63-L279 HydrophobicContact CG-CD2 3.98Å; L143-L279 HydrophobicContact CD1-CD2 4.12Å; L143-L279 HydrophobicContact CD2-CD2 3.93Å; L143-L279 HydrophobicContact CD2-CG 4.34Å; F275-L279 HydrophobicContact CD1-CD1 4.26Å; F275-L279 HydrophobicContact CD2-CG 4.31Å; F275-L279 HydrophobicContact CE1-CD1 3.65Å; F275-L279 HydrophobicContact CE1-CG 4.34Å; F275-L279 HydrophobicContact CE2-CD1 4.03Å; F275-L279 HydrophobicContact CE2-CD2 3.94Å; F275-L279 HydrophobicContact CE2-CG 3.85Å; F275-L279 HydrophobicContact CZ-CD1 3.53Å; F275-L279 HydrophobicContact CZ-CD2 4.07Å; F275-L279 HydrophobicContact CZ-CG 3.9Å; F275-L279 WeakPolarHBondContact O-CG 3.4Å; F275-L279 PolarHBondContact O-N 2.7Å; Q276-L279 PolarHBondContact O-N 3.42Å; D277-L279 VanDerWaalsContact C-N 3.34Å; D277-L279 PolarHBondContact O-N 3.04Å; L279-E282 PolarHBondContact O-N 2.6Å; L279-N283 WeakPolarHBondContact O-CB 3.38Å; L279-N283 VanDerWaalsContact O-CG 3.25Å; L279-N283 PolarHBondContact O-N 3.49Å; L279-N283 PolarHBondContact O-ND2 3.36Å
280S95.4Very high85.9Confident61 Ų6186.8 Ų86.843%0.42746%0.457SS..Hα-helixtrans-65.1-43.3179.4-56.70000110.4Q276 D277 N283 E284Q276-S280 PolarHBondContact O-N 3.16Å; Q276-S280 PolarHBondContact O-OG 3.42Å; D277-S280 WeakPolarHBondContact O-CB 3.28Å; D277-S280 PolarHBondContact O-N 3.18Å; D277-S280 VanDerWaalsContact O-N 3.14Å; S280-N283 PolarHBondContact O-N 2.95Å; S280-E284 WeakPolarHBondContact O-CG 3.43Å; S280-E284 PolarHBondContact O-N 2.99Å
281E94Very high83.4Confident136 Ų13688 Ų8864%0.63647%0.468SS*.Hα-helixtrans-60.9-45.3175.2-170.3-178166.600112.6D277 N283 E284 S285D277-E281 PolarHBondContact O-N 3.13Å; E281-N283 VanDerWaalsContact C-N 3.33Å; E281-N283 PolarHBondContact O-N 3.14Å; E281-E284 PolarHBondContact O-N 2.9Å; E281-S285 PolarHBondContact O-N 2.7Å; E281-S285 VanDerWaalsContact O-N 3.11Å
282E91.6Very high80.7Confident41 Ų4195.1 Ų95.119%0.19251%0.505CS..Hα-helixtrans-61.1-42176.3-170-175.8-118.900111.3L143 K145 L278 L279 S285 T286L143-E282 HydrophobicContact CD1-CB 3.79Å; L143-E282 VanDerWaalsContact CD1-CD 3.49Å; L143-E282 HydrophobicContact CD1-CG 4.14Å; K145-E282 WeakPolarHBondContact CE-OE1 2.84Å; K145-E282 IonicContact NZ-OE1 3.55Å; K145-E282 PolarHBondContact NZ-OE1 2.91Å; K145-E282 IonicContact NZ-OE2 2.87Å; K145-E282 PolarHBondContact NZ-OE2 3.47Å; L278-E282 PolarHBondContact O-N 3.46Å; L278-E282 VanDerWaalsContact O-N 3.1Å; L279-E282 PolarHBondContact O-N 2.6Å; E282-S285 PolarHBondContact O-N 2.87Å; E282-S285 PolarHBondContact O-OG 2.79Å; E282-T286 PolarHBondContact O-N 2.73Å; E282-T286 PolarHBondContact O-OG1 3.25Å
283N88.4Confident78Confident96 Ų9697.4 Ų97.451%0.51353%0.532SS..Hα-helixtrans-69.1-38.9180-72.8-37.3000112.8L279 S280 E281 S285 T286 A287L279-N283 WeakPolarHBondContact O-CB 3.38Å; L279-N283 VanDerWaalsContact O-CG 3.25Å; L279-N283 PolarHBondContact O-N 3.49Å; L279-N283 PolarHBondContact O-ND2 3.36Å; S280-N283 PolarHBondContact O-N 2.95Å; E281-N283 VanDerWaalsContact C-N 3.33Å; E281-N283 PolarHBondContact O-N 3.14Å; N283-S285 VanDerWaalsContact C-N 3.34Å; N283-T286 WeakPolarHBondContact CA-OG1 3.24Å; N283-T286 PolarHBondContact O-N 2.68Å; N283-T286 PolarHBondContact O-OG1 3.06Å; N283-A287 WeakPolarHBondContact O-CB 3.38Å; N283-A287 PolarHBondContact O-N 3.17Å
284E87.3Confident75.5Confident155 Ų15598.8 Ų98.872%0.72455%0.545SS*.Hα-helixtrans-64.3-39.7175.4-74.7-175.9-170.900111.8S280 E281 T286 A287S280-E284 WeakPolarHBondContact O-CG 3.43Å; S280-E284 PolarHBondContact O-N 2.99Å; E281-E284 PolarHBondContact O-N 2.9Å; E284-T286 PolarHBondContact O-N 2.91Å; E284-A287 PolarHBondContact O-N 3.01Å
285S76.1Confident72.6Confident88 Ų88101 Ų10162%0.61557%0.567SS**Hα-helixtrans-65.6-22.717779.80000113.7E281 E282 N283E281-S285 PolarHBondContact O-N 2.7Å; E281-S285 VanDerWaalsContact O-N 3.11Å; E282-S285 PolarHBondContact O-N 2.87Å; E282-S285 PolarHBondContact O-OG 2.79Å; N283-S285 VanDerWaalsContact C-N 3.34Å
286T71.3Confident69.8Low89 Ų89105.7 Ų105.755%0.54660%0.6SS.*Hα-helixtrans-101.1-18.5-178.752.20000113.4E282 N283 E284E282-T286 PolarHBondContact O-N 2.73Å; E282-T286 PolarHBondContact O-OG1 3.25Å; N283-T286 WeakPolarHBondContact CA-OG1 3.24Å; N283-T286 PolarHBondContact O-N 2.68Å; N283-T286 PolarHBondContact O-OG1 3.06Å; E284-T286 PolarHBondContact O-N 2.91Å
287A66.9Low67Low67 Ų67107.4 Ų107.455%0.55462%0.618SS**SBendtrans-67.2130.6175.100000111.5N283 E284N283-A287 WeakPolarHBondContact O-CB 3.38Å; N283-A287 PolarHBondContact O-N 3.17Å; E284-A287 PolarHBondContact O-N 3.01Å
288L55.8Low64.2Low155 Ų155107.9 Ų107.981%0.81263%0.629SS**PPolyproline II helixtrans-65.3144.1164.5-77.4152.5000108.6Q290L288-Q290 PolarHBondContact O-N 3.33Å
289P47.3Very low61.4Low119 Ų119117 Ų11777%0.77366%0.661SS**PPolyproline II helixtrans-54.4120.3174.420.3-29.9000108.8V291P289-V291 PolarHBondContact O-N 3.06Å; P289-V291 VanDerWaalsContact O-N 3.08Å
290Q47.4Very low58.6Low182 Ų182126 Ų12685%0.8570%0.699SS**PPolyproline II helixtrans-56.9119.7174.7-72.5-171.4-5.400107.5L288 L292L288-Q290 PolarHBondContact O-N 3.33Å; Q290-L292 VanDerWaalsContact C-N 3.31Å; Q290-L292 PolarHBondContact O-N 2.91Å
291V45.1Very low55.8Low138 Ų138133.1 Ų133.184%0.83672%0.717SS**  trans-62.7101.8167.2178.40000105.5P289 A293P289-V291 PolarHBondContact O-N 3.06Å; P289-V291 VanDerWaalsContact O-N 3.08Å; V291-A293 VanDerWaalsContact C-N 3.33Å; V291-A293 PolarHBondContact O-N 3.2Å
292L42.4Very low53Low160 Ų160132.4 Ų132.484%0.83872%0.724SS**  trans-54104.2166.2-82.2158.9000106.4Q290 Q294Q290-L292 VanDerWaalsContact C-N 3.31Å; Q290-L292 PolarHBondContact O-N 2.91Å; L292-Q294 PolarHBondContact O-N 3.29Å
293A42.6Very low50.5Low91 Ų91142.3 Ų142.375%0.75276%0.76SS**  trans-58.4109.3172.300000106.7V291V291-A293 VanDerWaalsContact C-N 3.33Å; V291-A293 PolarHBondContact O-N 3.2Å
294Q44.7Very low48.1Very low179 Ų179146.8 Ų146.884%0.83678%0.778SS**  trans-57.8134.8169.3-73.7-166.9-16.400108L292 S296L292-Q294 PolarHBondContact O-N 3.29Å; Q294-S296 PolarHBondContact O-N 3.35Å
295P39.1Very low45.5Very low118 Ų118142.8 Ų142.877%0.76678%0.778SS**  trans-59.5113.5173.3-17.929.2000109.1T297P295-T297 PolarHBondContact O-N 2.78Å
296S39.2Very low43.5Very low104 Ų104148 Ų14873%0.72779%0.793SS**  trans-59.6102.6170.254.40000109Q294 S298Q294-S296 PolarHBondContact O-N 3.35Å; S296-S298 PolarHBondContact O-N 3.02Å
297T40.5Very low41.6Very low135 Ų135148.1 Ų148.183%0.82880%0.803SS**  trans-78.874.4169.548.80000109.2P295 R299P295-T297 PolarHBondContact O-N 2.78Å; T297-R299 PolarHBondContact O-N 2.61Å
298S38Very low40Very low105 Ų105154.5 Ų154.573%0.73482%0.821SS**  trans-70.4100.5166.6-67.70000109.2S296 K300S296-S298 PolarHBondContact O-N 3.02Å; S298-K300 PolarHBondContact O-N 3.42Å
299R40.2Very low38.8Very low218 Ų218150.5 Ų150.582%0.82382%0.818SS**  trans-38.2124.2164.9-79.6171.9165.3167.9-3.3111.8T297T297-R299 PolarHBondContact O-N 2.61Å
300K37.7Very low38.1Very low208 Ų208149.7 Ų149.790%0.90482%0.821SS**  trans-102.8110.1148.2-84.6-176.8176177.80108S298S298-K300 PolarHBondContact O-N 3.42Å
301R36.5Very low37.4Very low211 Ų211148.8 Ų148.880%0.79682%0.817SS**PPolyproline II helixtrans-75.7131.6163-82.2-177.6-179.6176.1-0.4108.3
302P35Very low36.8Very low121 Ų121147.6 Ų147.679%0.78681%0.81SS**PPolyproline II helixtrans-72.5139.7162.8-7.324.5000109.5
303R38.7Very low36.4Very low249 Ų249145.7 Ų145.794%0.9481%0.805SS**PPolyproline II helixtrans-83.2122.7163.1-82.6179.4169.1179-3.6107.5
304E37.4Very low36Very low191 Ų191151 Ų15189%0.89381%0.811SS**  trans-132.7131156.8-76.6-176.6165.200108
305G34Very low35.5Very low71 Ų71153.8 Ų153.873%0.73281%0.814SS**  trans-97.6159.4175.400000111.5
306E33.2Very low35.7Very low198 Ų198153.9 Ų153.993%0.92581%0.814SS**  trans57110.4152-61-178.8169.600118.7
307A32.2Very low35.5Very low91 Ų91153.1 Ų153.175%0.75281%0.814SS**  169.9137.492.700000112.7
308E33Very low35.4Very low200 Ų200153.7 Ų153.794%0.93582%0.817SS**  trans64129.8144.4-67.3-174.6163.200123.6
309G30.6Very low35.1Very low72 Ų72154.4 Ų154.474%0.74282%0.821SS**  trans12997.813600000116.8
310A32.4Very low34.8Very low101 Ų101148.8 Ų148.884%0.83582%0.821SS**  trans55.5146.214000000119.6
311E33.1Very low34.6Very low164 Ų164143.2 Ų143.277%0.76681%0.814SS**  cis-179136-6177.2169.6-149.100104.6
312T32.4Very low34.7Very low113 Ų113139.3 Ų139.369%0.69381%0.813SS**  trans60.3126.5158.164.20000119.5
313T33.6Very low34.9Very low120 Ų120145.1 Ų145.174%0.73684%0.836SS**  -178.3145.464.620.20000111.3
314K34.3Very low34.7Very low201 Ų201139.9 Ų139.987%0.87483%0.831SS**  trans77.2106.7149.5-67.2176.8-178.1-178.60121.3
315R33.7Very low34.6Very low239 Ų239137.2 Ų137.290%0.90283%0.828SS**  trans-59.1175.6148.5-80.6-177.8177.1-178.7-0.6112.5
316P43.8Very low34.6Very low120 Ų120140.9 Ų140.978%0.77983%0.833SS**  cis-134.9171.88.321.64.6000117.9
317A35.4Very low34.7Very low88 Ų88137.5 Ų137.573%0.72783%0.828SS**  trans-31.3154.5160.200000118.7
318V37.5Very low34.8Very low146 Ų146140.4 Ų140.489%0.88583%0.832SS**  trans-150.7126.6130.1176.40000110.4
319C32.3Very low35Very low121 Ų121136.5 Ų136.582%0.81883%0.825SS**  trans-66.8146.7160-73.90000111.6
320A33.4Very low35.3Very low100 Ų100141.1 Ų141.183%0.82683%0.831SS**  -176.2132.3126.600000111.3
321A34.5Very low35.5Very low90 Ų90144.2 Ų144.274%0.74483%0.831SS**  trans-67.2164158.300000111.1
322V37.8Very low35.7Very low129 Ų129142.5 Ų142.578%0.78284%0.837SS**  148.3126.9127.71690000109.9
323L39.7Very low36Very low243 Ų243145.2 Ų145.2100%1.27285%0.85SS**  trans77.40174.6-65.8162.4000116.9

Retrieved 323 of 323 residues in 669.7 ms (Link to these results)

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