A0A077ZHN5_TRITR Loading...

TehB and SLAC1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHN5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 450 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
1M39.2Very low43.1Very low248 Ų248159.8 Ų159.8100%1.22281%0.807SS**  093.60-87.3168119.700109.1
2S34Very low45.2Very low119 Ų119155 Ų15583%0.83279%0.785SS**  trans-94.5100.7174.9-177.90000108.4K4S2-K4 PolarHBondContact O-N 3Å
3K38.1Very low47.7Very low204 Ų204146.7 Ų146.789%0.88774%0.744SS**  trans-70.8106.4169.1-94.1-178.4173.6178.80107.1M5K3-M5 PolarHBondContact O-N 3.35Å
4K38.3Very low50.1Low202 Ų202139.1 Ų139.188%0.87871%0.709SS**  trans-54.2107.4164.2-85.8178.7172.9177.90107.9S2 Q6S2-K4 PolarHBondContact O-N 3Å; K4-Q6 PolarHBondContact O-N 3.35Å
5M35.2Very low52.6Low188 Ų188129.8 Ų129.893%0.92666%0.662SS**  trans-7196.4171.3-155.3162.772.300106.6K3 S7K3-M5 PolarHBondContact O-N 3.35Å; M5-S7 PolarHBondContact O-N 2.95Å; M5-S7 VanDerWaalsContact O-N 3.1Å
6Q35.3Very low54.8Low177 Ų177122.8 Ų122.883%0.82763%0.632SS**  trans-63.5109.3174.9-142.8160.4-1.800106.1K4 D8K4-Q6 PolarHBondContact O-N 3.35Å; Q6-D8 PolarHBondContact O-N 3.06Å
7S44.5Very low56.8Low105 Ų105120.5 Ų120.573%0.73461%0.614SS**  trans-65.7106.5176.968.90000107.3M5 K9M5-S7 PolarHBondContact O-N 2.95Å; M5-S7 VanDerWaalsContact O-N 3.1Å; S7-K9 PolarHBondContact O-N 3.11Å
8D47.2Very low58.8Low124 Ų124114.1 Ų114.166%0.66358%0.581SS**  trans-53112173.3-80.7-28.9000108.3Q6 V10 F70Q6-D8 PolarHBondContact O-N 3.06Å; D8-V10 VanDerWaalsContact C-N 3.31Å; D8-V10 PolarHBondContact O-N 3.38Å; D8-F70 HydrophobicContact CB-CE1 4.22Å
9K51.1Low60.5Low205 Ų205108.4 Ų108.489%0.89155%0.554SS**  trans-69.692.8174.5-79.6-174.9176.9-178.80107.4S7S7-K9 PolarHBondContact O-N 3.11Å
10V54.5Low62.1Low52 Ų52104.6 Ų104.632%0.31553%0.534SS..  trans-80133.1174.6-176.20000108.9D8 N12 F70D8-V10 VanDerWaalsContact C-N 3.31Å; D8-V10 PolarHBondContact O-N 3.38Å; V10-N12 VanDerWaalsContact C-N 3.25Å; V10-N12 PolarHBondContact O-N 3.39Å; V10-F70 HydrophobicContact CB-CE2 4.49Å; V10-F70 HydrophobicContact CG1-CD2 3.82Å; V10-F70 HydrophobicContact CG1-CE2 4.07Å; V10-F70 HydrophobicContact CG1-CG 4.31Å; V10-F70 HydrophobicContact CG2-CD1 3.87Å; V10-F70 HydrophobicContact CG2-CD2 4.02Å; V10-F70 HydrophobicContact CG2-CE1 3.79Å; V10-F70 HydrophobicContact CG2-CE2 3.94Å; V10-F70 HydrophobicContact CG2-CG 3.99Å; V10-F70 HydrophobicContact CG2-CZ 3.83Å
11L57.2Low63.6Low134 Ų13499.6 Ų99.670%0.70251%0.509SS*.  trans-66.191.5162.4-173.775000107.5L13L11-L13 HydrophobicContact CD2-CD1 3.61Å; L11-L13 HydrophobicContact CD2-CG 4.18Å; L11-L13 HydrophobicContact CG-CD1 4.08Å; L11-L13 HydrophobicContact CG-CG 4.09Å; L11-L13 PolarHBondContact O-N 3.07Å
12N68Low66.2Low102 Ų10288.1 Ų88.155%0.54545%0.452SS..  trans-7891.9179.2-169.916.2000108.8V10 P14V10-N12 VanDerWaalsContact C-N 3.25Å; V10-N12 PolarHBondContact O-N 3.39Å; N12-P14 VanDerWaalsContact O-CD 3.27Å; N12-P14 WeakPolarHBondContact O-CD 3.37Å
13L77.9Confident68.7Low47 Ų4782.7 Ų82.725%0.24642%0.415CS..  trans-101.897.6167.4-73168.3000108.1L11 Y17 A62 R66L11-L13 HydrophobicContact CD2-CD1 3.61Å; L11-L13 HydrophobicContact CD2-CG 4.18Å; L11-L13 HydrophobicContact CG-CD1 4.08Å; L11-L13 HydrophobicContact CG-CG 4.09Å; L11-L13 PolarHBondContact O-N 3.07Å; L13-Y17 HydrophobicContact CD2-CD1 4.1Å; L13-Y17 HydrophobicContact CD2-CE1 4.14Å; L13-Y17 HydrophobicContact CD2-CG 4.33Å; L13-A62 HydrophobicContact CD1-CB 3.75Å; L13-R66 PolarHBondContact O-NH1 3.32Å; L13-R66 VanDerWaalsContact O-NH1 3.08Å
14P81.4Confident71.4Confident40 Ų4073.8 Ų73.826%0.2638%0.378SS..  trans-59.7151.4172.5-22.832.5000111.4N12 G16 Y17N12-P14 VanDerWaalsContact O-CD 3.27Å; N12-P14 WeakPolarHBondContact O-CD 3.37Å; P14-G16 PolarHBondContact O-N 3.39Å; P14-Y17 HydrophobicContact CG-CE2 4.41Å; P14-Y17 WeakPolarHBondContact O-CD2 3.48Å; P14-Y17 PolarHBondContact O-N 2.92Å
15A87.7Confident74Confident0 Ų064.2 Ų64.20%034%0.336CS..G310 helixtrans-59.4-19.7175.400000112.8Y17 F18 F63 E77 V87A15-Y17 PolarHBondContact O-N 2.89Å; A15-Y17 VanDerWaalsContact O-N 3.08Å; A15-F18 HydrophobicContact CB-CD2 4.5Å; A15-F18 WeakPolarHBondContact O-CB 3.38Å; A15-F18 WeakPolarHBondContact O-CD2 3.43Å; A15-F18 PolarHBondContact O-N 2.79Å; A15-F63 HydrophobicContact CB-CE2 4.38Å; A15-E77 WeakPolarHBondContact CB-OE1 3.31Å; A15-E77 PolarHBondContact N-OE1 2.96Å; A15-V87 HydrophobicContact CB-CB 4.43Å; A15-V87 HydrophobicContact CB-CG2 4.16Å
16G86.7Confident76.6Confident17 Ų1755.6 Ų55.618%0.17530%0.296CS..G310 helixtrans-55-24.4171.600000114.7P14 F18 G19P14-G16 PolarHBondContact O-N 3.39Å; G16-F18 PolarHBondContact O-N 3.2Å; G16-G19 PolarHBondContact O-N 3.34Å
17Y90Very high79.2Confident85 Ų8551 Ų5133%0.33328%0.275SS..G310 helixtrans-66.8-20.8176.7-82.4-109.4000113.4L13 P14 A15 G19 I20 L59 A259L13-Y17 HydrophobicContact CD2-CD1 4.1Å; L13-Y17 HydrophobicContact CD2-CE1 4.14Å; L13-Y17 HydrophobicContact CD2-CG 4.33Å; P14-Y17 HydrophobicContact CG-CE2 4.41Å; P14-Y17 WeakPolarHBondContact O-CD2 3.48Å; P14-Y17 PolarHBondContact O-N 2.92Å; A15-Y17 PolarHBondContact O-N 2.89Å; A15-Y17 VanDerWaalsContact O-N 3.08Å; Y17-G19 PolarHBondContact O-N 3.16Å; Y17-G19 VanDerWaalsContact O-N 3.11Å; Y17-I20 HydrophobicContact CD1-CD1 3.92Å; Y17-I20 WeakPolarHBondContact O-CB 3.34Å; Y17-I20 VanDerWaalsContact O-CG1 3.31Å; Y17-I20 WeakPolarHBondContact O-CG1 3.34Å; Y17-I20 PolarHBondContact O-N 3.29Å; Y17-L59 WeakPolarHBondContact O-CD1 3.29Å; Y17-A259 HydrophobicContact CD2-CB 4.02Å; Y17-A259 HydrophobicContact CE1-CB 4.39Å; Y17-A259 HydrophobicContact CE2-CB 3.6Å
18F93.1Very high81.5Confident4 Ų446 Ų462%0.01824%0.24CC..Hα-helixtrans-60.9-17.5170.3-77.6-79.4000112.3A15 G16 I20 V21 L22 L59 F63 L89 F90 T93A15-F18 HydrophobicContact CB-CD2 4.5Å; A15-F18 WeakPolarHBondContact O-CB 3.38Å; A15-F18 WeakPolarHBondContact O-CD2 3.43Å; A15-F18 PolarHBondContact O-N 2.79Å; G16-F18 PolarHBondContact O-N 3.2Å; F18-I20 PolarHBondContact O-N 2.94Å; F18-V21 WeakPolarHBondContact O-CB 3.46Å; F18-V21 PolarHBondContact O-N 3.44Å; F18-V21 VanDerWaalsContact O-N 3.15Å; F18-L22 PolarHBondContact O-N 3.36Å; F18-L59 HydrophobicContact CD1-CB 4.2Å; F18-L59 HydrophobicContact CD1-CD1 4.25Å; F18-L59 HydrophobicContact CE1-CB 3.74Å; F18-L59 HydrophobicContact CE2-CB 4.37Å; F18-L59 HydrophobicContact CG-CD1 4.43Å; F18-L59 HydrophobicContact CZ-CB 3.83Å; F18-F63 HydrophobicContact CE2-CB 4.28Å; F18-F63 HydrophobicContact CE2-CG 4.42Å; F18-F63 HydrophobicContact CZ-CB 4.37Å; F18-L89 HydrophobicContact CB-CB 3.64Å; F18-L89 HydrophobicContact CB-CD1 4.44Å; F18-F90 AromaticContact CE1-CD2 3.93Å; F18-F90 HydrophobicContact CE1-CD2 3.93Å; F18-F90 HydrophobicContact CE2-CB 4.27Å; F18-F90 HydrophobicContact CE2-CD2 4.29Å; F18-F90 HydrophobicContact CZ-CB 4.41Å; F18-F90 AromaticContact CZ-CD2 3.65Å; F18-F90 HydrophobicContact CZ-CD2 3.65Å; F18-F90 HydrophobicContact CZ-CE2 4.46Å; F18-F90 HydrophobicContact CZ-CG 4.46Å; F18-T93 HydrophobicContact CB-CG2 4.05Å; F18-T93 HydrophobicContact CD1-CG2 4.32Å; F18-T93 WeakPolarHBondContact CD1-OG1 3.34Å; F18-T93 WeakPolarHBondContact O-CG2 3.41Å
19G90.5Very high83.5Confident6 Ų641.9 Ų41.96%0.06222%0.217CC..Hα-helixtrans-56.6-27.8169.400000113.8G16 Y17 L22 G23 S265G16-G19 PolarHBondContact O-N 3.34Å; Y17-G19 PolarHBondContact O-N 3.16Å; Y17-G19 VanDerWaalsContact O-N 3.11Å; G19-L22 PolarHBondContact O-N 2.92Å; G19-G23 PolarHBondContact O-N 3.04Å; G19-G23 VanDerWaalsContact O-N 3.08Å; G19-S265 PolarHBondContact O-OG 2.86Å
20I91.8Very high85Confident33 Ų3332.3 Ų32.317%0.16918%0.176CC..Hα-helixtrans-63-51.7174.9-58171.6000110.1Y17 F18 L22 G23 T24 I55 W262Y17-I20 HydrophobicContact CD1-CD1 3.92Å; Y17-I20 WeakPolarHBondContact O-CB 3.34Å; Y17-I20 VanDerWaalsContact O-CG1 3.31Å; Y17-I20 WeakPolarHBondContact O-CG1 3.34Å; Y17-I20 PolarHBondContact O-N 3.29Å; F18-I20 PolarHBondContact O-N 2.94Å; I20-L22 PolarHBondContact O-N 3.25Å; I20-G23 PolarHBondContact O-N 3.18Å; I20-T24 WeakPolarHBondContact O-CB 3.49Å; I20-T24 PolarHBondContact O-N 3.33Å; I20-T24 PolarHBondContact O-OG1 3.36Å; I20-I55 HydrophobicContact CB-CG2 4.46Å; I20-I55 HydrophobicContact CG2-CD1 4.09Å; I20-I55 HydrophobicContact CG2-CG2 4.14Å; I20-W262 HydrophobicContact CB-CD2 4.24Å; I20-W262 HydrophobicContact CB-CE3 4.46Å; I20-W262 HydrophobicContact CG1-CD2 3.76Å; I20-W262 HydrophobicContact CG1-CE3 4.46Å; I20-W262 HydrophobicContact CG1-CG 3.79Å; I20-W262 HydrophobicContact CG1-CZ2 4.25Å; I20-W262 HydrophobicContact CG2-CH2 4.13Å; I20-W262 HydrophobicContact CG2-CZ2 4.1Å; I20-W262 HydrophobicContact CG2-CZ3 4.37Å
21V95Very high86.6Confident0 Ų033.5 Ų33.50%018%0.175CC..Hα-helixtrans-56.1-46.7179.1176.80000109.8F18 G23 T24 I25 A52 I55 W56 L59 T93 V97F18-V21 WeakPolarHBondContact O-CB 3.46Å; F18-V21 PolarHBondContact O-N 3.44Å; F18-V21 VanDerWaalsContact O-N 3.15Å; V21-G23 PolarHBondContact O-N 2.87Å; V21-T24 PolarHBondContact O-N 2.94Å; V21-I25 VanDerWaalsContact O-CB 3.3Å; V21-I25 WeakPolarHBondContact O-CB 3.22Å; V21-I25 WeakPolarHBondContact O-CG2 3.48Å; V21-I25 PolarHBondContact O-N 3.33Å; V21-A52 HydrophobicContact CG1-CB 4.34Å; V21-I55 HydrophobicContact CG2-CB 4.14Å; V21-I55 HydrophobicContact CG2-CG2 3.66Å; V21-W56 HydrophobicContact CG1-CB 3.88Å; V21-W56 HydrophobicContact CG2-CB 3.86Å; V21-L59 HydrophobicContact CG2-CD1 3.94Å; V21-T93 HydrophobicContact CB-CG2 3.81Å; V21-T93 HydrophobicContact CG1-CG2 3.88Å; V21-V97 HydrophobicContact CG1-CG2 4.47Å
22L92.1Very high87.9Confident7 Ų728.5 Ų28.54%0.03715%0.146CC..Hα-helixtrans-63.9-40.4-174.9-179.8155.7000112.2F18 G19 I20 G26 L89 T93 L96 F266F18-L22 PolarHBondContact O-N 3.36Å; G19-L22 PolarHBondContact O-N 2.92Å; I20-L22 PolarHBondContact O-N 3.25Å; L22-G26 PolarHBondContact O-N 2.86Å; L22-G26 VanDerWaalsContact O-N 3.16Å; L22-L89 HydrophobicContact CD1-CD2 3.87Å; L22-T93 HydrophobicContact CB-CG2 3.93Å; L22-L96 HydrophobicContact CB-CD1 4.21Å; L22-L96 HydrophobicContact CD1-CD1 4.29Å; L22-L96 HydrophobicContact CG-CD1 3.87Å; L22-F266 HydrophobicContact CD1-CD1 4.26Å; L22-F266 HydrophobicContact CD1-CD2 4.46Å; L22-F266 HydrophobicContact CD1-CE1 4.41Å; L22-F266 HydrophobicContact CD1-CG 4.3Å; L22-F266 HydrophobicContact CD2-CB 3.13Å; L22-F266 HydrophobicContact CD2-CD1 3.85Å; L22-F266 HydrophobicContact CD2-CD2 3.25Å; L22-F266 HydrophobicContact CD2-CE2 4.08Å; L22-F266 HydrophobicContact CD2-CG 3.12Å; L22-F266 HydrophobicContact CG-CB 4.43Å; L22-F266 HydrophobicContact CG-CD1 4.45Å; L22-F266 HydrophobicContact CG-CD2 3.84Å; L22-F266 HydrophobicContact CG-CE2 4.19Å; L22-F266 HydrophobicContact CG-CG 4Å
23G88.3Confident88.4Confident4 Ų424.6 Ų24.64%0.04112%0.124CC..Hα-helixtrans-68.8-47.5171.600000113.8G19 I20 V21 G26 M27 S265 S269G19-G23 PolarHBondContact O-N 3.04Å; G19-G23 VanDerWaalsContact O-N 3.08Å; I20-G23 PolarHBondContact O-N 3.18Å; V21-G23 PolarHBondContact O-N 2.87Å; G23-G26 PolarHBondContact O-N 3.07Å; G23-M27 PolarHBondContact O-N 2.61Å; G23-S265 WeakPolarHBondContact CA-OG 3.47Å; G23-S265 PolarHBondContact N-OG 3.47Å; G23-S269 PolarHBondContact O-OG 3.44Å
24T93.2Very high88.2Confident18 Ų1822.7 Ų22.711%0.1112%0.115CC..Hα-helixtrans-64.3-43.6-178-54.30000111.8I20 V21 M27 G28 L48 L51 A52I20-T24 WeakPolarHBondContact O-CB 3.49Å; I20-T24 PolarHBondContact O-N 3.33Å; I20-T24 PolarHBondContact O-OG1 3.36Å; V21-T24 PolarHBondContact O-N 2.94Å; T24-M27 PolarHBondContact O-N 3.06Å; T24-G28 PolarHBondContact O-N 2.87Å; T24-L48 HydrophobicContact CG2-CD2 4.24Å; T24-L51 HydrophobicContact CG2-CB 4.44Å; T24-L51 HydrophobicContact CG2-CD2 4.09Å; T24-L51 HydrophobicContact CG2-CG 4.24Å; T24-A52 HydrophobicContact CG2-CB 3.99Å
25I94.6Very high88.1Confident0 Ų022.2 Ų22.20%011%0.113CC..Hα-helixtrans-71-38179.6-158.3159.8000111.8V21 M27 G28 F29 V49 A52 L96 V97V21-I25 VanDerWaalsContact O-CB 3.3Å; V21-I25 WeakPolarHBondContact O-CB 3.22Å; V21-I25 WeakPolarHBondContact O-CG2 3.48Å; V21-I25 PolarHBondContact O-N 3.33Å; I25-M27 VanDerWaalsContact C-N 3.33Å; I25-M27 PolarHBondContact O-N 3.35Å; I25-G28 CarbonylContact O-C 3.6Å; I25-G28 WeakPolarHBondContact O-CA 3.37Å; I25-G28 PolarHBondContact O-N 3.35Å; I25-G28 VanDerWaalsContact O-N 3.13Å; I25-F29 HydrophobicContact CD1-CE1 4.33Å; I25-F29 HydrophobicContact CD1-CZ 3.88Å; I25-F29 HydrophobicContact CG1-CD1 4.42Å; I25-F29 HydrophobicContact CG1-CE1 3.79Å; I25-F29 HydrophobicContact CG1-CE2 4.03Å; I25-F29 HydrophobicContact CG1-CZ 3.57Å; I25-F29 WeakPolarHBondContact O-CG 2.67Å; I25-F29 PolarHBondContact O-N 3.17Å; I25-V49 HydrophobicContact CG1-CG2 4.45Å; I25-A52 HydrophobicContact CB-CB 3.6Å; I25-A52 HydrophobicContact CD1-CB 4.33Å; I25-A52 HydrophobicContact CG1-CB 4.14Å; I25-L96 VanDerWaalsContact CD1-C 3.49Å; I25-L96 HydrophobicContact CD1-CB 4.06Å; I25-L96 VanDerWaalsContact CD1-O 3.31Å; I25-L96 WeakPolarHBondContact CD1-O 3.44Å; I25-L96 HydrophobicContact CG2-CB 3.74Å; I25-L96 HydrophobicContact CG2-CD1 3.73Å; I25-L96 HydrophobicContact CG2-CG 4.21Å; I25-V97 HydrophobicContact CD1-CG2 4.07Å
26G89.7Confident87.2Confident8 Ų827.1 Ų27.18%0.08214%0.136CC..Hα-helixtrans-61-42174.300000111.9L22 G23 F29 A30L22-G26 PolarHBondContact O-N 2.86Å; L22-G26 VanDerWaalsContact O-N 3.16Å; G23-G26 PolarHBondContact O-N 3.07Å; G26-F29 PolarHBondContact O-N 3.17Å; G26-A30 PolarHBondContact O-N 3.47Å
27M89.6Confident86.1Confident81 Ų8129 Ų2940%0.39914%0.144SC..Hα-helixtrans-65.2-38.9173.1-169.465.6-173.800112.1G23 T24 I25 F29 A30 W31 L48 S269G23-M27 PolarHBondContact O-N 2.61Å; T24-M27 PolarHBondContact O-N 3.06Å; I25-M27 VanDerWaalsContact C-N 3.33Å; I25-M27 PolarHBondContact O-N 3.35Å; M27-F29 VanDerWaalsContact C-N 3.34Å; M27-F29 PolarHBondContact O-N 3.09Å; M27-A30 PolarHBondContact O-N 2.57Å; M27-W31 PolarHBondContact O-N 3.37Å; M27-L48 HydrophobicContact CB-CD1 4.3Å; M27-L48 HydrophobicContact CG-CD1 3.85Å; M27-S269 PolarHBondContact N-OG 3.01Å
28G91.7Very high85.1Confident0 Ų031.5 Ų31.50%015%0.153CC..Hα-helixtrans-60.2-41.5173.800000112.8T24 I25 W31 R32T24-G28 PolarHBondContact O-N 2.87Å; I25-G28 CarbonylContact O-C 3.6Å; I25-G28 WeakPolarHBondContact O-CA 3.37Å; I25-G28 PolarHBondContact O-N 3.35Å; I25-G28 VanDerWaalsContact O-N 3.13Å; G28-W31 PolarHBondContact O-N 3.32Å; G28-R32 WeakPolarHBondContact O-CG 3.21Å; G28-R32 PolarHBondContact O-N 2.73Å
29F89.3Confident84.2Confident37 Ų3739.9 Ų39.916%0.16219%0.192CC..Hα-helixtrans-66.2-45.4174.7-65.2-16.1000112.5I25 G26 M27 W31 R32 Y33 V49 L96 I99I25-F29 HydrophobicContact CD1-CE1 4.33Å; I25-F29 HydrophobicContact CD1-CZ 3.88Å; I25-F29 HydrophobicContact CG1-CD1 4.42Å; I25-F29 HydrophobicContact CG1-CE1 3.79Å; I25-F29 HydrophobicContact CG1-CE2 4.03Å; I25-F29 HydrophobicContact CG1-CZ 3.57Å; I25-F29 WeakPolarHBondContact O-CG 2.67Å; I25-F29 PolarHBondContact O-N 3.17Å; G26-F29 PolarHBondContact O-N 3.17Å; M27-F29 VanDerWaalsContact C-N 3.34Å; M27-F29 PolarHBondContact O-N 3.09Å; F29-W31 PolarHBondContact O-N 3.07Å; F29-R32 PolarHBondContact O-N 3.28Å; F29-Y33 WeakPolarHBondContact O-CB 3.36Å; F29-Y33 PolarHBondContact O-N 2.74Å; F29-V49 HydrophobicContact CD1-CG2 3.85Å; F29-V49 HydrophobicContact CE1-CG2 3.84Å; F29-L96 HydrophobicContact CE2-CD2 4.05Å; F29-L96 WeakPolarHBondContact CZ-O 3.17Å; F29-I99 HydrophobicContact CD2-CG2 4.44Å; F29-I99 HydrophobicContact CE1-CG2 4.09Å; F29-I99 HydrophobicContact CE2-CB 3.96Å; F29-I99 HydrophobicContact CE2-CD1 4.39Å; F29-I99 HydrophobicContact CE2-CG2 3.68Å; F29-I99 HydrophobicContact CZ-CB 3.66Å; F29-I99 HydrophobicContact CZ-CG2 3.47Å; F29-I99 VanDerWaalsContact CZ-CG2 3.47Å
30A83.5Confident83.6Confident4 Ų442.1 Ų42.13%0.03320%0.204CC..Hα-helixtrans-56.4-41174.200000111.3G26 M27 Y33 A34 A272 L276G26-A30 PolarHBondContact O-N 3.47Å; M27-A30 PolarHBondContact O-N 2.57Å; A30-Y33 PolarHBondContact O-N 2.91Å; A30-A34 WeakPolarHBondContact O-CB 3.46Å; A30-A34 PolarHBondContact O-N 2.77Å; A30-A272 HydrophobicContact CB-CB 3.87Å; A30-L276 HydrophobicContact CB-CD1 4.45Å; A30-L276 WeakPolarHBondContact O-CD1 3.45Å
31W87.5Confident83.3Confident77 Ų7743.4 Ų43.429%0.29222%0.216SC..Hα-helixtrans-72.1-41.3178.4-163.2-75.7000113.4M27 G28 F29 Y33 A34 S35 V40 S41 L44M27-W31 PolarHBondContact O-N 3.37Å; G28-W31 PolarHBondContact O-N 3.32Å; F29-W31 PolarHBondContact O-N 3.07Å; W31-Y33 PolarHBondContact O-N 3.4Å; W31-A34 WeakPolarHBondContact O-CB 3.49Å; W31-A34 PolarHBondContact O-N 2.66Å; W31-A34 VanDerWaalsContact O-N 3.16Å; W31-S35 PolarHBondContact O-N 2.9Å; W31-V40 HydrophobicContact CZ2-CB 4.33Å; W31-V40 HydrophobicContact CZ2-CG2 4.5Å; W31-S41 PolarHBondContact NE1-O 3.18Å; W31-L44 HydrophobicContact CD2-CB 4.14Å; W31-L44 HydrophobicContact CG-CB 4.21Å; W31-L44 HydrophobicContact CH2-CD1 3.96Å; W31-L44 HydrophobicContact CZ2-CB 4.22Å; W31-L44 HydrophobicContact CZ2-CD1 3.31Å; W31-L44 HydrophobicContact CZ2-CG 4.4Å
32R84.9Confident82.8Confident28 Ų2847.3 Ų47.311%0.10623%0.234CC..Hα-helixtrans-55.2-45.3171.9-80.5-180166.7178.6-1.4110.4G28 F29 S35 Q36 D46 G100G28-R32 WeakPolarHBondContact O-CG 3.21Å; G28-R32 PolarHBondContact O-N 2.73Å; F29-R32 PolarHBondContact O-N 3.28Å; R32-S35 PolarHBondContact O-N 3.49Å; R32-S35 PolarHBondContact O-OG 3.44Å; R32-Q36 WeakPolarHBondContact O-CG 3.21Å; R32-Q36 PolarHBondContact O-N 2.8Å; R32-D46 IonicContact CZ-OD1 3.22Å; R32-D46 IonicContact NE-OD1 2.74Å; R32-D46 PolarHBondContact NE-OD1 2.69Å; R32-D46 IonicContact NH2-OD1 2.73Å; R32-D46 PolarHBondContact NH2-OD1 2.84Å; R32-G100 PolarHBondContact NH1-O 2.9Å
33Y77.4Confident82.7Confident21 Ų2155.6 Ų55.68%0.08227%0.265CS..Hα-helixtrans-65.1-44.1176.3-169.8-76.7000111.5F29 A30 W31 S35 Q36 V37 L276 E277 K280F29-Y33 WeakPolarHBondContact O-CB 3.36Å; F29-Y33 PolarHBondContact O-N 2.74Å; A30-Y33 PolarHBondContact O-N 2.91Å; W31-Y33 PolarHBondContact O-N 3.4Å; Y33-S35 VanDerWaalsContact C-N 3.27Å; Y33-S35 PolarHBondContact O-N 2.76Å; Y33-Q36 WeakPolarHBondContact O-CB 3.49Å; Y33-Q36 PolarHBondContact O-N 3.03Å; Y33-V37 HydrophobicContact CD1-CG2 4.09Å; Y33-V37 HydrophobicContact CE1-CG2 3.46Å; Y33-V37 VanDerWaalsContact CE1-CG2 3.46Å; Y33-V37 PolarHBondContact O-N 2.86Å; Y33-L276 HydrophobicContact CD1-CB 3.23Å; Y33-L276 HydrophobicContact CD1-CD1 4.03Å; Y33-L276 HydrophobicContact CD1-CG 4.19Å; Y33-L276 HydrophobicContact CE1-CB 3.36Å; Y33-L276 WeakPolarHBondContact CE1-O 3.48Å; Y33-L276 HydrophobicContact CG-CB 4.34Å; Y33-L276 PolarHBondContact OH-O 2.92Å; Y33-E277 HydrophobicContact CD2-CG 4.21Å; Y33-E277 HydrophobicContact CE1-CG 4.39Å; Y33-E277 HydrophobicContact CE2-CG 3.67Å; Y33-E277 WeakPolarHBondContact OH-CA 3.34Å; Y33-K280 WeakPolarHBondContact OH-CD 3.38Å; Y33-K280 WeakPolarHBondContact OH-CE 3.13Å; Y33-K280 VanDerWaalsContact OH-CG 3.25Å; Y33-K280 WeakPolarHBondContact OH-CG 3.33Å
34A74Confident82.8Confident6 Ų660.3 Ų60.35%0.0529%0.288CS..Hα-helixtrans-58.3-37.7175.600000112.3A30 W31 Q36 V37 W38 V40 L276A30-A34 WeakPolarHBondContact O-CB 3.46Å; A30-A34 PolarHBondContact O-N 2.77Å; W31-A34 WeakPolarHBondContact O-CB 3.49Å; W31-A34 PolarHBondContact O-N 2.66Å; W31-A34 VanDerWaalsContact O-N 3.16Å; A34-Q36 PolarHBondContact O-N 3.12Å; A34-V37 PolarHBondContact O-N 3.47Å; A34-W38 HydrophobicContact CB-CE3 3.93Å; A34-W38 HydrophobicContact CB-CZ3 4.22Å; A34-W38 WeakPolarHBondContact O-CA 3.21Å; A34-W38 WeakPolarHBondContact O-CB 3.24Å; A34-W38 PolarHBondContact O-N 3.27Å; A34-V40 HydrophobicContact CB-CG2 4.2Å; A34-L276 HydrophobicContact CB-CD1 3.91Å; A34-L276 HydrophobicContact CB-CD2 4.29Å
35S78.7Confident82.6Confident31 Ų3159.4 Ų59.422%0.21728%0.283CS..Hα-helixtrans-68.4-16.1175.3700000114.6W31 R32 Y33 W38 V40W31-S35 PolarHBondContact O-N 2.9Å; R32-S35 PolarHBondContact O-N 3.49Å; R32-S35 PolarHBondContact O-OG 3.44Å; Y33-S35 VanDerWaalsContact C-N 3.27Å; Y33-S35 PolarHBondContact O-N 2.76Å; S35-W38 CarbonylContact C-O 3.5Å; S35-V40 VanDerWaalsContact CB-O 3.29Å; S35-V40 WeakPolarHBondContact CB-O 3.36Å
36Q69.2Low82.5Confident103 Ų10360.6 Ų60.648%0.48129%0.289SS..Hα-helixtrans-84.1-33.4173.4-65.3168.2-11.500111.5R32 Y33 A34 Y300R32-Q36 WeakPolarHBondContact O-CG 3.21Å; R32-Q36 PolarHBondContact O-N 2.8Å; Y33-Q36 WeakPolarHBondContact O-CB 3.49Å; Y33-Q36 PolarHBondContact O-N 3.03Å; A34-Q36 PolarHBondContact O-N 3.12Å; Q36-Y300 HydrophobicContact CG-CE2 4.43Å; Q36-Y300 PolarHBondContact OE1-OH 2.88Å
37V64.6Low82.8Confident56 Ų5662 Ų6234%0.33930%0.304SS..Hα-helixtrans-93.4-33.5-177.4-178.20000112.7Y33 A34 V279Y33-V37 HydrophobicContact CD1-CG2 4.09Å; Y33-V37 HydrophobicContact CE1-CG2 3.46Å; Y33-V37 VanDerWaalsContact CE1-CG2 3.46Å; Y33-V37 PolarHBondContact O-N 2.86Å; A34-V37 PolarHBondContact O-N 3.47Å; V37-V279 HydrophobicContact CG1-CG2 4.2Å
38W68.3Low83.1Confident138 Ų13860.5 Ų60.552%0.52330%0.297SS..SBendtrans-119157.6-177.5-59.9-32000111.2A34 S35 V40 L276A34-W38 HydrophobicContact CB-CE3 3.93Å; A34-W38 HydrophobicContact CB-CZ3 4.22Å; A34-W38 WeakPolarHBondContact O-CA 3.21Å; A34-W38 WeakPolarHBondContact O-CB 3.24Å; A34-W38 PolarHBondContact O-N 3.27Å; S35-W38 CarbonylContact C-O 3.5Å; W38-V40 HydrophobicContact CB-CG1 4.34Å; W38-V40 HydrophobicContact CB-CG2 4.36Å; W38-V40 PolarHBondContact O-N 2.81Å; W38-L276 HydrophobicContact CE3-CD2 4.12Å; W38-L276 HydrophobicContact CH2-CD2 3.25Å; W38-L276 HydrophobicContact CZ2-CD2 3.72Å; W38-L276 HydrophobicContact CZ3-CD2 3.47Å; W38-L276 VanDerWaalsContact CZ3-CD2 3.47Å
39Q74.8Confident83.2Confident179 Ų17960.5 Ų60.584%0.83630%0.297SS*.SBendtrans-76.143.2177.2-63.9-175.9-500112.5
40V77.2Confident83.6Confident54 Ų5462.6 Ų62.633%0.32731%0.309SS..  trans-97.9151.1174.9-61.30000110.3W31 A34 S35 W38 H42W31-V40 HydrophobicContact CZ2-CB 4.33Å; W31-V40 HydrophobicContact CZ2-CG2 4.5Å; A34-V40 HydrophobicContact CB-CG2 4.2Å; S35-V40 VanDerWaalsContact CB-O 3.29Å; S35-V40 WeakPolarHBondContact CB-O 3.36Å; W38-V40 HydrophobicContact CB-CG1 4.34Å; W38-V40 HydrophobicContact CB-CG2 4.36Å; W38-V40 PolarHBondContact O-N 2.81Å; V40-H42 PolarHBondContact O-N 2.78Å
41S85Confident84.3Confident59 Ų5966.3 Ų66.341%0.41333%0.328SS..  trans-66.8131.5-177.7-179.60000112.1W31 W43W31-S41 PolarHBondContact NE1-O 3.18Å; S41-W43 PolarHBondContact O-N 2.95Å; S41-W43 VanDerWaalsContact OG-CD1 3.24Å; S41-W43 PolarHBondContact OG-N 2.8Å
42H85.2Confident84.7Confident83 Ų8362.6 Ų62.638%0.38431%0.314SS..THydrogen-bonded Turntrans-67.2-24.4173.867.1-79.2000112.9V40 L44 G45 D46V40-H42 PolarHBondContact O-N 2.78Å; H42-L44 PolarHBondContact O-N 3.45Å; H42-L44 VanDerWaalsContact O-N 3.16Å; H42-G45 WeakPolarHBondContact O-CA 3.45Å; H42-G45 PolarHBondContact O-N 3.3Å; H42-D46 IonicContact CD2-OD2 2.86Å; H42-D46 PolarHBondContact CD2-OD2 3.23Å; H42-D46 PolarHBondContact O-N 2.86Å
43W90Very high85.3Confident181 Ų18162.3 Ų62.369%0.68631%0.314SS*.Hα-helixtrans-57.6-32.4-175.5-68.3116.3000114.1S41 G47S41-W43 PolarHBondContact O-N 2.95Å; S41-W43 VanDerWaalsContact OG-CD1 3.24Å; S41-W43 PolarHBondContact OG-N 2.8Å; W43-G47 PolarHBondContact O-N 2.9Å
44L90.6Very high86.3Confident102 Ų10266 Ų6653%0.53433%0.334SS..Hα-helixtrans-69.4-38.6176.1-73.4169.9000111.6W31 H42 G47 L48W31-L44 HydrophobicContact CD2-CB 4.14Å; W31-L44 HydrophobicContact CG-CB 4.21Å; W31-L44 HydrophobicContact CH2-CD1 3.96Å; W31-L44 HydrophobicContact CZ2-CB 4.22Å; W31-L44 HydrophobicContact CZ2-CD1 3.31Å; W31-L44 HydrophobicContact CZ2-CG 4.4Å; H42-L44 PolarHBondContact O-N 3.45Å; H42-L44 VanDerWaalsContact O-N 3.16Å; L44-G47 PolarHBondContact O-N 3.44Å; L44-L48 WeakPolarHBondContact O-CG 3.41Å; L44-L48 PolarHBondContact O-N 3.25Å
45G89.2Confident87.4Confident0 Ų067.4 Ų67.40%034%0.341CS..Hα-helixtrans-66.8-46175.500000111.6H42 G47 L48 V49H42-G45 WeakPolarHBondContact O-CA 3.45Å; H42-G45 PolarHBondContact O-N 3.3Å; G45-G47 PolarHBondContact O-N 3.18Å; G45-L48 PolarHBondContact O-N 2.81Å; G45-V49 WeakPolarHBondContact O-CG2 3.34Å; G45-V49 PolarHBondContact O-N 3.18Å
46D91.8Very high88.3Confident24 Ų2468 Ų6813%0.12834%0.338CS..Hα-helixtrans-62.3-42174.8-75.3-15.6000112.4R32 H42 L48 V49 I50 W104R32-D46 IonicContact CZ-OD1 3.22Å; R32-D46 IonicContact NE-OD1 2.74Å; R32-D46 PolarHBondContact NE-OD1 2.69Å; R32-D46 IonicContact NH2-OD1 2.73Å; R32-D46 PolarHBondContact NH2-OD1 2.84Å; H42-D46 IonicContact CD2-OD2 2.86Å; H42-D46 PolarHBondContact CD2-OD2 3.23Å; H42-D46 PolarHBondContact O-N 2.86Å; D46-L48 PolarHBondContact O-N 2.77Å; D46-V49 PolarHBondContact O-N 2.75Å; D46-I50 WeakPolarHBondContact O-CB 3.42Å; D46-I50 VanDerWaalsContact O-CG1 3.27Å; D46-I50 WeakPolarHBondContact O-CG1 3.29Å; D46-I50 PolarHBondContact O-N 3.2Å; D46-W104 HydrophobicContact CB-CZ2 4.1Å
47G96.3Very high89.6Confident38 Ų3864.2 Ų64.239%0.39233%0.327SS..Hα-helixtrans-59.6-43.3175.600000112.8W43 L44 G45 I50 L51W43-G47 PolarHBondContact O-N 2.9Å; L44-G47 PolarHBondContact O-N 3.44Å; G45-G47 PolarHBondContact O-N 3.18Å; G47-I50 PolarHBondContact O-N 2.84Å; G47-L51 VanDerWaalsContact O-CB 3.3Å; G47-L51 WeakPolarHBondContact O-CB 3.1Å; G47-L51 PolarHBondContact O-N 2.95Å
48L95.2Very high91.1Very high50 Ų5067.3 Ų67.326%0.26234%0.341SS..Hα-helixtrans-65.6-40.8175.3-74.3172.4000112.3T24 M27 L44 G45 D46 L51 A52T24-L48 HydrophobicContact CG2-CD2 4.24Å; M27-L48 HydrophobicContact CB-CD1 4.3Å; M27-L48 HydrophobicContact CG-CD1 3.85Å; L44-L48 WeakPolarHBondContact O-CG 3.41Å; L44-L48 PolarHBondContact O-N 3.25Å; G45-L48 PolarHBondContact O-N 2.81Å; D46-L48 PolarHBondContact O-N 2.77Å; L48-L51 PolarHBondContact O-N 3Å; L48-A52 WeakPolarHBondContact O-CB 3.48Å; L48-A52 PolarHBondContact O-N 3.1Å
49V95.3Very high92.4Very high0 Ų061.7 Ų61.70%032%0.321CS..Hα-helixtrans-64.5-45.4176.31720000110.9I25 F29 G45 D46 L51 A52 M53 W104I25-V49 HydrophobicContact CG1-CG2 4.45Å; F29-V49 HydrophobicContact CD1-CG2 3.85Å; F29-V49 HydrophobicContact CE1-CG2 3.84Å; G45-V49 WeakPolarHBondContact O-CG2 3.34Å; G45-V49 PolarHBondContact O-N 3.18Å; D46-V49 PolarHBondContact O-N 2.75Å; V49-L51 VanDerWaalsContact C-N 3.35Å; V49-L51 PolarHBondContact O-N 3.38Å; V49-A52 PolarHBondContact O-N 2.95Å; V49-M53 HydrophobicContact CG1-CE 3.55Å; V49-M53 HydrophobicContact CG1-SD 4.27Å; V49-M53 VanDerWaalsContact O-CG 3.3Å; V49-M53 WeakPolarHBondContact O-CG 3.48Å; V49-M53 PolarHBondContact O-N 3Å; V49-W104 HydrophobicContact CB-CH2 4.42Å; V49-W104 HydrophobicContact CG1-CH2 3.99Å; V49-W104 HydrophobicContact CG1-CZ3 4.09Å
50I97.2Very high93.4Very high80 Ų8053.9 Ų53.941%0.4129%0.285SS..Hα-helixtrans-61.3-44.3175.9-68.2167.5000110.6D46 G47 A52 M53 I54 W104D46-I50 WeakPolarHBondContact O-CB 3.42Å; D46-I50 VanDerWaalsContact O-CG1 3.27Å; D46-I50 WeakPolarHBondContact O-CG1 3.29Å; D46-I50 PolarHBondContact O-N 3.2Å; G47-I50 PolarHBondContact O-N 2.84Å; I50-A52 VanDerWaalsContact C-N 3.32Å; I50-A52 PolarHBondContact O-N 2.8Å; I50-M53 WeakPolarHBondContact O-CB 3.34Å; I50-M53 PolarHBondContact O-N 3.44Å; I50-M53 VanDerWaalsContact O-N 3.16Å; I50-I54 HydrophobicContact CG2-CD1 3.93Å; I50-I54 HydrophobicContact CG2-CG1 4.47Å; I50-I54 WeakPolarHBondContact O-CG1 3.35Å; I50-I54 PolarHBondContact O-N 3.29Å; I50-W104 HydrophobicContact CD1-CH2 4.12Å; I50-W104 HydrophobicContact CD1-CZ2 4.39Å; I50-W104 HydrophobicContact CG1-CH2 3.57Å; I50-W104 HydrophobicContact CG1-CZ2 4.32Å; I50-W104 HydrophobicContact CG1-CZ3 4.15Å
51L97.5Very high94.2Very high82 Ų8255 Ų5543%0.42930%0.296SS..Hα-helixtrans-58.4-45.8176.3178.262.1000111.1T24 G47 L48 V49 M53 I54 I55T24-L51 HydrophobicContact CG2-CB 4.44Å; T24-L51 HydrophobicContact CG2-CD2 4.09Å; T24-L51 HydrophobicContact CG2-CG 4.24Å; G47-L51 VanDerWaalsContact O-CB 3.3Å; G47-L51 WeakPolarHBondContact O-CB 3.1Å; G47-L51 PolarHBondContact O-N 2.95Å; L48-L51 PolarHBondContact O-N 3Å; V49-L51 VanDerWaalsContact C-N 3.35Å; V49-L51 PolarHBondContact O-N 3.38Å; L51-M53 VanDerWaalsContact C-N 3.31Å; L51-M53 PolarHBondContact O-N 3.49Å; L51-I54 PolarHBondContact O-N 3.32Å; L51-I55 HydrophobicContact CD1-CD1 4.11Å; L51-I55 HydrophobicContact CD1-CG1 4.4Å; L51-I55 HydrophobicContact CG-CD1 3.94Å; L51-I55 VanDerWaalsContact O-CG1 3.28Å; L51-I55 WeakPolarHBondContact O-CG1 3.45Å; L51-I55 PolarHBondContact O-N 3.17Å
52A96.9Very high94.6Very high0 Ų053.6 Ų53.60%029%0.288CS..Hα-helixtrans-62.4-37.6176.900000112.3V21 T24 I25 L48 V49 I50 I55 W56V21-A52 HydrophobicContact CG1-CB 4.34Å; T24-A52 HydrophobicContact CG2-CB 3.99Å; I25-A52 HydrophobicContact CB-CB 3.6Å; I25-A52 HydrophobicContact CD1-CB 4.33Å; I25-A52 HydrophobicContact CG1-CB 4.14Å; L48-A52 WeakPolarHBondContact O-CB 3.48Å; L48-A52 PolarHBondContact O-N 3.1Å; V49-A52 PolarHBondContact O-N 2.95Å; I50-A52 VanDerWaalsContact C-N 3.32Å; I50-A52 PolarHBondContact O-N 2.8Å; A52-I55 PolarHBondContact O-N 3.45Å; A52-W56 VanDerWaalsContact O-CB 3.27Å; A52-W56 WeakPolarHBondContact O-CB 3.49Å; A52-W56 PolarHBondContact O-N 2.92Å
53M97.3Very high94.9Very high22 Ų2250.8 Ų50.811%0.10827%0.274CS..Hα-helixtrans-65-41175-70.3174.7176.700112.6V49 I50 L51 W56 G57 V97 F101 W104V49-M53 HydrophobicContact CG1-CE 3.55Å; V49-M53 HydrophobicContact CG1-SD 4.27Å; V49-M53 VanDerWaalsContact O-CG 3.3Å; V49-M53 WeakPolarHBondContact O-CG 3.48Å; V49-M53 PolarHBondContact O-N 3Å; I50-M53 WeakPolarHBondContact O-CB 3.34Å; I50-M53 PolarHBondContact O-N 3.44Å; I50-M53 VanDerWaalsContact O-N 3.16Å; L51-M53 VanDerWaalsContact C-N 3.31Å; L51-M53 PolarHBondContact O-N 3.49Å; M53-W56 PolarHBondContact O-N 3.07Å; M53-G57 PolarHBondContact O-N 2.91Å; M53-V97 HydrophobicContact CE-CG1 4.39Å; M53-V97 HydrophobicContact CG-CG1 4.01Å; M53-V97 HydrophobicContact CG-CG2 4.24Å; M53-F101 HydrophobicContact CE-CB 4.49Å; M53-F101 HydrophobicContact CE-CD1 4.34Å; M53-F101 HydrophobicContact CE-CD2 3.6Å; M53-F101 HydrophobicContact CE-CE1 4.5Å; M53-F101 HydrophobicContact CE-CE2 3.79Å; M53-F101 HydrophobicContact CE-CG 3.89Å; M53-F101 HydrophobicContact CE-CZ 4.24Å; M53-F101 HydrophobicContact CG-CE2 4.36Å; M53-F101 HydrophobicContact SD-CD2 4.17Å; M53-F101 HydrophobicContact SD-CE1 4.24Å; M53-F101 HydrophobicContact SD-CE2 3.71Å; M53-F101 HydrophobicContact SD-CZ 3.75Å; M53-W104 HydrophobicContact CE-CE3 4.24Å; M53-W104 HydrophobicContact CE-CZ3 3.66Å; M53-W104 HydrophobicContact SD-CZ3 3.75Å
54I97.9Very high95Very high98 Ų9845.9 Ų45.950%0.50326%0.261SS..Hα-helixtrans-63-48.3175.5-67.1165.9000109.8I50 L51 W56 G57 L58I50-I54 HydrophobicContact CG2-CD1 3.93Å; I50-I54 HydrophobicContact CG2-CG1 4.47Å; I50-I54 WeakPolarHBondContact O-CG1 3.35Å; I50-I54 PolarHBondContact O-N 3.29Å; L51-I54 PolarHBondContact O-N 3.32Å; I54-W56 VanDerWaalsContact C-N 3.31Å; I54-W56 PolarHBondContact O-N 3.09Å; I54-G57 PolarHBondContact O-N 3Å; I54-L58 HydrophobicContact CG2-CD1 4.18Å; I54-L58 WeakPolarHBondContact O-CG 3.48Å; I54-L58 PolarHBondContact O-N 3.2Å
55I96.5Very high95.1Very high36 Ų3642.6 Ų42.619%0.18525%0.249CC..Hα-helixtrans-60-44.1177.3-64.1166.6000110.3I20 V21 L51 A52 G57 L58 L59I20-I55 HydrophobicContact CB-CG2 4.46Å; I20-I55 HydrophobicContact CG2-CD1 4.09Å; I20-I55 HydrophobicContact CG2-CG2 4.14Å; V21-I55 HydrophobicContact CG2-CB 4.14Å; V21-I55 HydrophobicContact CG2-CG2 3.66Å; L51-I55 HydrophobicContact CD1-CD1 4.11Å; L51-I55 HydrophobicContact CD1-CG1 4.4Å; L51-I55 HydrophobicContact CG-CD1 3.94Å; L51-I55 VanDerWaalsContact O-CG1 3.28Å; L51-I55 WeakPolarHBondContact O-CG1 3.45Å; L51-I55 PolarHBondContact O-N 3.17Å; A52-I55 PolarHBondContact O-N 3.45Å; I55-G57 PolarHBondContact O-N 3.07Å; I55-L58 PolarHBondContact O-N 3.47Å; I55-L59 HydrophobicContact CG2-CD1 3.83Å; I55-L59 HydrophobicContact CG2-CG 4.25Å; I55-L59 WeakPolarHBondContact O-CB 3.29Å; I55-L59 WeakPolarHBondContact O-CG 3.38Å; I55-L59 PolarHBondContact O-N 3.46Å
56W97.8Very high95.2Very high43 Ų4343.5 Ų43.516%0.16325%0.252CS..Hα-helixtrans-60.9-44.5176.8174.983.5000112.2V21 A52 M53 I54 L58 L59 T60 T94 V97 L112V21-W56 HydrophobicContact CG1-CB 3.88Å; V21-W56 HydrophobicContact CG2-CB 3.86Å; A52-W56 VanDerWaalsContact O-CB 3.27Å; A52-W56 WeakPolarHBondContact O-CB 3.49Å; A52-W56 PolarHBondContact O-N 2.92Å; M53-W56 PolarHBondContact O-N 3.07Å; I54-W56 VanDerWaalsContact C-N 3.31Å; I54-W56 PolarHBondContact O-N 3.09Å; W56-L58 VanDerWaalsContact C-N 3.34Å; W56-L58 PolarHBondContact O-N 3.06Å; W56-L59 PolarHBondContact O-N 3.41Å; W56-T60 HydrophobicContact CZ2-CG2 4.47Å; W56-T60 PolarHBondContact NE1-OG1 3.22Å; W56-T60 WeakPolarHBondContact O-CB 3.49Å; W56-T60 PolarHBondContact O-N 3.29Å; W56-T60 PolarHBondContact O-OG1 2.82Å; W56-T94 HydrophobicContact CZ2-CG2 3.98Å; W56-T94 PolarHBondContact NE1-OG1 3.48Å; W56-V97 HydrophobicContact CB-CG2 3.87Å; W56-V97 HydrophobicContact CD2-CB 4.44Å; W56-V97 HydrophobicContact CD2-CG1 4.44Å; W56-V97 HydrophobicContact CD2-CG2 3.93Å; W56-V97 HydrophobicContact CE3-CG1 4.22Å; W56-V97 HydrophobicContact CE3-CG2 4.37Å; W56-V97 HydrophobicContact CG-CG2 3.68Å; W56-V97 HydrophobicContact CZ3-CG1 4.47Å; W56-L112 HydrophobicContact CH2-CD2 4.12Å
57G97.2Very high95.2Very high24 Ų2446.4 Ų46.425%0.24727%0.267CS..Hα-helixtrans-61.9-42177.900000112.2M53 I54 I55 S61M53-G57 PolarHBondContact O-N 2.91Å; I54-G57 PolarHBondContact O-N 3Å; I55-G57 PolarHBondContact O-N 3.07Å; G57-S61 VanDerWaalsContact O-CB 3.3Å; G57-S61 WeakPolarHBondContact O-CB 3.36Å; G57-S61 PolarHBondContact O-N 2.83Å; G57-S61 PolarHBondContact O-OG 3.39Å
58L96.5Very high95.1Very high121 Ų12150.8 Ų50.863%0.63428%0.28SS*.Hα-helixtrans-65.8-48176.3-67.9173.5000112.1I54 I55 W56 S61 A62I54-L58 HydrophobicContact CG2-CD1 4.18Å; I54-L58 WeakPolarHBondContact O-CG 3.48Å; I54-L58 PolarHBondContact O-N 3.2Å; I55-L58 PolarHBondContact O-N 3.47Å; W56-L58 VanDerWaalsContact C-N 3.34Å; W56-L58 PolarHBondContact O-N 3.06Å; L58-S61 PolarHBondContact O-N 2.96Å; L58-A62 WeakPolarHBondContact O-CB 3.47Å; L58-A62 PolarHBondContact O-N 3.24Å
59L95.1Very high94.9Very high20 Ų2057.5 Ų57.511%0.10530%0.302CS..Hα-helixtrans-66-40.4179-70.3177.5000112.1Y17 F18 V21 I55 W56 A62 F63Y17-L59 WeakPolarHBondContact O-CD1 3.29Å; F18-L59 HydrophobicContact CD1-CB 4.2Å; F18-L59 HydrophobicContact CD1-CD1 4.25Å; F18-L59 HydrophobicContact CE1-CB 3.74Å; F18-L59 HydrophobicContact CE2-CB 4.37Å; F18-L59 HydrophobicContact CG-CD1 4.43Å; F18-L59 HydrophobicContact CZ-CB 3.83Å; V21-L59 HydrophobicContact CG2-CD1 3.94Å; I55-L59 HydrophobicContact CG2-CD1 3.83Å; I55-L59 HydrophobicContact CG2-CG 4.25Å; I55-L59 WeakPolarHBondContact O-CB 3.29Å; I55-L59 WeakPolarHBondContact O-CG 3.38Å; I55-L59 PolarHBondContact O-N 3.46Å; W56-L59 PolarHBondContact O-N 3.41Å; L59-A62 PolarHBondContact O-N 3.24Å; L59-F63 VanDerWaalsContact O-CB 3.31Å; L59-F63 WeakPolarHBondContact O-CB 3.28Å; L59-F63 PolarHBondContact O-N 3.18Å
60T95.6Very high94.6Very high14 Ų1460.6 Ų60.69%0.08632%0.316CS..Hα-helixtrans-62-46.9175.1-62.90000110.8W56 A62 F63 I64 F90W56-T60 HydrophobicContact CZ2-CG2 4.47Å; W56-T60 PolarHBondContact NE1-OG1 3.22Å; W56-T60 WeakPolarHBondContact O-CB 3.49Å; W56-T60 PolarHBondContact O-N 3.29Å; W56-T60 PolarHBondContact O-OG1 2.82Å; T60-A62 VanDerWaalsContact C-N 3.33Å; T60-A62 PolarHBondContact O-N 3.4Å; T60-F63 PolarHBondContact O-N 3.42Å; T60-I64 HydrophobicContact CG2-CD1 3.7Å; T60-I64 HydrophobicContact CG2-CG1 4.39Å; T60-I64 WeakPolarHBondContact O-CB 3.43Å; T60-I64 VanDerWaalsContact O-CG1 3.29Å; T60-I64 WeakPolarHBondContact O-CG1 3.45Å; T60-I64 PolarHBondContact O-N 3.01Å; T60-F90 HydrophobicContact CG2-CE2 3.68Å; T60-F90 HydrophobicContact CG2-CZ 4.24Å
61S95.1Very high94.3Very high78 Ų7859.8 Ų59.855%0.54532%0.316SS..Hα-helixtrans-61.1-42.7176.8-59.20000111.7G57 L58 A65G57-S61 VanDerWaalsContact O-CB 3.3Å; G57-S61 WeakPolarHBondContact O-CB 3.36Å; G57-S61 PolarHBondContact O-N 2.83Å; G57-S61 PolarHBondContact O-OG 3.39Å; L58-S61 PolarHBondContact O-N 2.96Å; S61-A65 VanDerWaalsContact O-CB 3.25Å; S61-A65 WeakPolarHBondContact O-CB 3.4Å; S61-A65 PolarHBondContact O-N 3.12Å
62A92.1Very high94Very high29 Ų2963.3 Ų63.324%0.2433%0.329CS..Hα-helixtrans-65-42176.100000112.4L13 L58 L59 T60 A65 R66L13-A62 HydrophobicContact CD1-CB 3.75Å; L58-A62 WeakPolarHBondContact O-CB 3.47Å; L58-A62 PolarHBondContact O-N 3.24Å; L59-A62 PolarHBondContact O-N 3.24Å; T60-A62 VanDerWaalsContact C-N 3.33Å; T60-A62 PolarHBondContact O-N 3.4Å; A62-A65 PolarHBondContact O-N 3.34Å; A62-R66 WeakPolarHBondContact O-CB 3.35Å; A62-R66 PolarHBondContact O-N 3.27Å
63F91.8Very high93.6Very high24 Ų2465 Ų6511%0.10534%0.341CS..Hα-helixtrans-65.3-44.9178.1-172.4-100.1000111.6A15 F18 L59 T60 R66 L67 V74 V87A15-F63 HydrophobicContact CB-CE2 4.38Å; F18-F63 HydrophobicContact CE2-CB 4.28Å; F18-F63 HydrophobicContact CE2-CG 4.42Å; F18-F63 HydrophobicContact CZ-CB 4.37Å; L59-F63 VanDerWaalsContact O-CB 3.31Å; L59-F63 WeakPolarHBondContact O-CB 3.28Å; L59-F63 PolarHBondContact O-N 3.18Å; T60-F63 PolarHBondContact O-N 3.42Å; F63-R66 PolarHBondContact O-N 3.3Å; F63-L67 WeakPolarHBondContact O-CB 3.4Å; F63-L67 PolarHBondContact O-N 2.87Å; F63-V74 HydrophobicContact CE2-CG1 4.28Å; F63-V74 HydrophobicContact CZ-CG1 3.93Å; F63-V87 HydrophobicContact CZ-CG1 4.27Å
64I93Very high93.3Very high78 Ų7864.2 Ų64.240%0.434%0.338SS..Hα-helixtrans-63-44.5174.9-67.5169.3000110.7T60 R66 L67 I68T60-I64 HydrophobicContact CG2-CD1 3.7Å; T60-I64 HydrophobicContact CG2-CG1 4.39Å; T60-I64 WeakPolarHBondContact O-CB 3.43Å; T60-I64 VanDerWaalsContact O-CG1 3.29Å; T60-I64 WeakPolarHBondContact O-CG1 3.45Å; T60-I64 PolarHBondContact O-N 3.01Å; I64-R66 VanDerWaalsContact C-N 3.3Å; I64-R66 PolarHBondContact O-N 3.39Å; I64-L67 WeakPolarHBondContact O-CB 3.46Å; I64-L67 PolarHBondContact O-N 2.8Å; I64-I68 HydrophobicContact CG2-CD1 3.81Å; I64-I68 HydrophobicContact CG2-CG1 4.5Å; I64-I68 WeakPolarHBondContact O-CG1 3.4Å; I64-I68 PolarHBondContact O-N 2.91Å
65A92.3Very high93.1Very high34 Ų3462.9 Ų62.928%0.28133%0.331SS..Hα-helixtrans-61.2-39.4176.600000111.9S61 A62 I68 R69S61-A65 VanDerWaalsContact O-CB 3.25Å; S61-A65 WeakPolarHBondContact O-CB 3.4Å; S61-A65 PolarHBondContact O-N 3.12Å; A62-A65 PolarHBondContact O-N 3.34Å; A65-I68 PolarHBondContact O-N 2.69Å; A65-R69 WeakPolarHBondContact O-CB 3.26Å; A65-R69 WeakPolarHBondContact O-CG 3.21Å; A65-R69 PolarHBondContact O-N 3.07Å
66R91.5Very high92.9Very high18 Ų1864.2 Ų64.27%0.06835%0.348CS..Hα-helixtrans-67.5-39.1174.8-174.7179.6166.2-154.4-9.4111.9L13 A62 F63 I64 F70 S73 V74 E77L13-R66 PolarHBondContact O-NH1 3.32Å; L13-R66 VanDerWaalsContact O-NH1 3.08Å; A62-R66 WeakPolarHBondContact O-CB 3.35Å; A62-R66 PolarHBondContact O-N 3.27Å; F63-R66 PolarHBondContact O-N 3.3Å; I64-R66 VanDerWaalsContact C-N 3.3Å; I64-R66 PolarHBondContact O-N 3.39Å; R66-F70 CarbonylContact O-C 3.2Å; R66-F70 WeakPolarHBondContact O-CA 3.14Å; R66-F70 PolarHBondContact O-N 3.15Å; R66-S73 PolarHBondContact NE-OG 2.91Å; R66-S73 PolarHBondContact NH2-O 3.46Å; R66-V74 HydrophobicContact CB-CG2 4.38Å; R66-V74 HydrophobicContact CG-CG2 3.81Å; R66-E77 IonicContact CZ-OE2 3.23Å; R66-E77 VanDerWaalsContact CZ-OE2 3.23Å; R66-E77 IonicContact NH1-OE2 2.71Å; R66-E77 PolarHBondContact NH1-OE2 3.2Å; R66-E77 IonicContact NH2-OE2 2.86Å; R66-E77 PolarHBondContact NH2-OE2 3.08Å
67L91.1Very high92.7Very high85 Ų8562.6 Ų62.645%0.44534%0.342SS..Hα-helixtrans-62-42.1175.7-179.763.9000111.9F63 I64 P71 V74F63-L67 WeakPolarHBondContact O-CB 3.4Å; F63-L67 PolarHBondContact O-N 2.87Å; I64-L67 WeakPolarHBondContact O-CB 3.46Å; I64-L67 PolarHBondContact O-N 2.8Å; L67-P71 WeakPolarHBondContact O-CA 3.48Å; L67-P71 WeakPolarHBondContact O-CB 3.33Å; L67-V74 HydrophobicContact CB-CG2 4.33Å; L67-V74 HydrophobicContact CD1-CB 4.19Å; L67-V74 HydrophobicContact CD1-CG1 4.02Å; L67-V74 HydrophobicContact CD1-CG2 4.4Å
68I93.3Very high92.5Very high131 Ų13162.6 Ų62.667%0.67234%0.337SS*.Hα-helixtrans-74-47.2179.9-64.9167.6000111.4I64 A65I64-I68 HydrophobicContact CG2-CD1 3.81Å; I64-I68 HydrophobicContact CG2-CG1 4.5Å; I64-I68 WeakPolarHBondContact O-CG1 3.4Å; I64-I68 PolarHBondContact O-N 2.91Å; A65-I68 PolarHBondContact O-N 2.69Å
69R91Very high92.3Very high191 Ų19165.2 Ų65.272%0.72134%0.339SS*.Hα-helixtrans-83.6-33.8-172.8-65.9-179.7-178.31711.3113.6A65A65-R69 WeakPolarHBondContact O-CB 3.26Å; A65-R69 WeakPolarHBondContact O-CG 3.21Å; A65-R69 PolarHBondContact O-N 3.07Å
70F89Confident92.2Very high64 Ų6468.1 Ų68.128%0.28135%0.352SS..  trans-13558.4-173.7-54.6-73000111.5D8 V10 R66 H72 S73D8-F70 HydrophobicContact CB-CE1 4.22Å; V10-F70 HydrophobicContact CB-CE2 4.49Å; V10-F70 HydrophobicContact CG1-CD2 3.82Å; V10-F70 HydrophobicContact CG1-CE2 4.07Å; V10-F70 HydrophobicContact CG1-CG 4.31Å; V10-F70 HydrophobicContact CG2-CD1 3.87Å; V10-F70 HydrophobicContact CG2-CD2 4.02Å; V10-F70 HydrophobicContact CG2-CE1 3.79Å; V10-F70 HydrophobicContact CG2-CE2 3.94Å; V10-F70 HydrophobicContact CG2-CG 3.99Å; V10-F70 HydrophobicContact CG2-CZ 3.83Å; R66-F70 CarbonylContact O-C 3.2Å; R66-F70 WeakPolarHBondContact O-CA 3.14Å; R66-F70 PolarHBondContact O-N 3.15Å; F70-H72 PolarHBondContact O-N 3.15Å; F70-H72 VanDerWaalsContact O-N 3.15Å; F70-S73 WeakPolarHBondContact O-CB 3.49Å; F70-S73 PolarHBondContact O-N 2.92Å; F70-S73 PolarHBondContact O-OG 2.9Å
71P90.8Very high92Very high63 Ų6369.9 Ų69.941%0.40936%0.363SS..Hα-helixtrans-57-34.9-174.122.1-34000112.9L67 S73 V74 L75L67-P71 WeakPolarHBondContact O-CA 3.48Å; L67-P71 WeakPolarHBondContact O-CB 3.33Å; P71-S73 VanDerWaalsContact C-N 3.26Å; P71-S73 PolarHBondContact O-N 3.37Å; P71-V74 PolarHBondContact O-N 2.8Å; P71-L75 WeakPolarHBondContact O-CB 2.96Å; P71-L75 PolarHBondContact O-N 2.75Å
72H91.4Very high91.8Very high156 Ų15666.8 Ų66.872%0.72234%0.341SS*.Hα-helixtrans-59.7-35.4175.7-62.6-60.9000113F70 A76F70-H72 PolarHBondContact O-N 3.15Å; F70-H72 VanDerWaalsContact O-N 3.15Å; H72-A76 WeakPolarHBondContact O-CB 3.28Å; H72-A76 PolarHBondContact O-N 3.08Å
73S89.9Confident91.8Very high35 Ų3568.5 Ų68.525%0.24535%0.346CS..Hα-helixtrans-70.4-3617977.60000112.3R66 F70 P71 E77R66-S73 PolarHBondContact NE-OG 2.91Å; R66-S73 PolarHBondContact NH2-O 3.46Å; F70-S73 WeakPolarHBondContact O-CB 3.49Å; F70-S73 PolarHBondContact O-N 2.92Å; F70-S73 PolarHBondContact O-OG 2.9Å; P71-S73 VanDerWaalsContact C-N 3.26Å; P71-S73 PolarHBondContact O-N 3.37Å; S73-E77 PolarHBondContact O-N 3.03Å
74V90.6Very high91.8Very high7 Ų767.7 Ų67.74%0.04234%0.343CS..Hα-helixtrans-73.9-41.3176.5-178.50000109.7F63 R66 L67 P71 A76 E77 V78F63-V74 HydrophobicContact CE2-CG1 4.28Å; F63-V74 HydrophobicContact CZ-CG1 3.93Å; R66-V74 HydrophobicContact CB-CG2 4.38Å; R66-V74 HydrophobicContact CG-CG2 3.81Å; L67-V74 HydrophobicContact CB-CG2 4.33Å; L67-V74 HydrophobicContact CD1-CB 4.19Å; L67-V74 HydrophobicContact CD1-CG1 4.02Å; L67-V74 HydrophobicContact CD1-CG2 4.4Å; P71-V74 PolarHBondContact O-N 2.8Å; V74-A76 VanDerWaalsContact C-N 3.29Å; V74-A76 PolarHBondContact O-N 2.88Å; V74-E77 PolarHBondContact O-N 2.86Å; V74-E77 VanDerWaalsContact O-N 3.15Å; V74-V78 HydrophobicContact CG1-CG2 4.1Å; V74-V78 WeakPolarHBondContact O-CB 3.48Å; V74-V78 VanDerWaalsContact O-CG2 3.27Å; V74-V78 WeakPolarHBondContact O-CG2 3.32Å; V74-V78 PolarHBondContact O-N 3.42Å
75L93.1Very high91.9Very high69 Ų6964 Ų6436%0.36132%0.324SS..Hα-helixtrans-61.8-38176.3-171.762.1000112.2P71 R79P71-L75 WeakPolarHBondContact O-CB 2.96Å; P71-L75 PolarHBondContact O-N 2.75Å; L75-R79 HydrophobicContact CD1-CG 4.29Å; L75-R79 WeakPolarHBondContact O-CB 3.34Å; L75-R79 VanDerWaalsContact O-CG 3.29Å; L75-R79 WeakPolarHBondContact O-CG 3.47Å; L75-R79 PolarHBondContact O-N 3.22Å
76A93Very high91.9Very high64 Ų6463.4 Ų63.453%0.52932%0.315SS..Hα-helixtrans-62.4-42.4174.100000111.8H72 V74 H80H72-A76 WeakPolarHBondContact O-CB 3.28Å; H72-A76 PolarHBondContact O-N 3.08Å; V74-A76 VanDerWaalsContact C-N 3.29Å; V74-A76 PolarHBondContact O-N 2.88Å; A76-H80 WeakPolarHBondContact O-CB 3.48Å; A76-H80 PolarHBondContact O-N 3.13Å; A76-H80 VanDerWaalsContact O-N 3.11Å
77E92.2Very high92Very high9 Ų963.1 Ų63.14%0.04232%0.315CS..Hα-helixtrans-67.7-44.8177.3-171.3169.9165.500112A15 R66 S73 V74 R79 H80 L83 S84 V87A15-E77 WeakPolarHBondContact CB-OE1 3.31Å; A15-E77 PolarHBondContact N-OE1 2.96Å; R66-E77 IonicContact CZ-OE2 3.23Å; R66-E77 VanDerWaalsContact CZ-OE2 3.23Å; R66-E77 IonicContact NH1-OE2 2.71Å; R66-E77 PolarHBondContact NH1-OE2 3.2Å; R66-E77 IonicContact NH2-OE2 2.86Å; R66-E77 PolarHBondContact NH2-OE2 3.08Å; S73-E77 PolarHBondContact O-N 3.03Å; V74-E77 PolarHBondContact O-N 2.86Å; V74-E77 VanDerWaalsContact O-N 3.15Å; E77-R79 VanDerWaalsContact C-N 3.27Å; E77-R79 PolarHBondContact O-N 2.8Å; E77-H80 WeakPolarHBondContact O-CB 3.33Å; E77-H80 PolarHBondContact O-N 2.91Å; E77-H80 VanDerWaalsContact O-N 3.17Å; E77-L83 HydrophobicContact CG-CB 3.92Å; E77-L83 HydrophobicContact CG-CD1 4.35Å; E77-S84 PolarHBondContact O-N 3.45Å; E77-V87 HydrophobicContact CG-CG2 4.13Å
78V93.9Very high92.3Very high25 Ų2559.1 Ų59.115%0.15229%0.294CS..Hα-helixtrans-63.1-31.1177.9167.80000112.3V74 S84 V87 Y123 W126V74-V78 HydrophobicContact CG1-CG2 4.1Å; V74-V78 WeakPolarHBondContact O-CB 3.48Å; V74-V78 VanDerWaalsContact O-CG2 3.27Å; V74-V78 WeakPolarHBondContact O-CG2 3.32Å; V74-V78 PolarHBondContact O-N 3.42Å; V78-S84 WeakPolarHBondContact O-CB 3.44Å; V78-V87 HydrophobicContact CG2-CG1 4.09Å; V78-V87 HydrophobicContact CG2-CG2 3.98Å; V78-Y123 HydrophobicContact CG1-CE2 4.38Å; V78-W126 HydrophobicContact CG1-CE3 4.49Å; V78-W126 HydrophobicContact CG1-CH2 3.26Å; V78-W126 HydrophobicContact CG1-CZ2 4.17Å; V78-W126 HydrophobicContact CG1-CZ3 3.44Å; V78-W126 VanDerWaalsContact CG1-CZ3 3.44Å; V78-W126 WeakPolarHBondContact O-CH2 3.37Å
79R93.3Very high92.4Very high176 Ų17653.3 Ų53.366%0.66427%0.265SS*.Hα-helixtrans-91.5-7177.3-69.1179.1178.9-1780.2113.9L75 E77L75-R79 HydrophobicContact CD1-CG 4.29Å; L75-R79 WeakPolarHBondContact O-CB 3.34Å; L75-R79 VanDerWaalsContact O-CG 3.29Å; L75-R79 WeakPolarHBondContact O-CG 3.47Å; L75-R79 PolarHBondContact O-N 3.22Å; E77-R79 VanDerWaalsContact C-N 3.27Å; E77-R79 PolarHBondContact O-N 2.8Å
80H92.8Very high92.6Very high81 Ų8145.5 Ų45.538%0.37524%0.236SC..SBendtrans-71.8135.2-177.6-174.2-72.5000110.7A76 E77 V82 L83 S84A76-H80 WeakPolarHBondContact O-CB 3.48Å; A76-H80 PolarHBondContact O-N 3.13Å; A76-H80 VanDerWaalsContact O-N 3.11Å; E77-H80 WeakPolarHBondContact O-CB 3.33Å; E77-H80 PolarHBondContact O-N 2.91Å; E77-H80 VanDerWaalsContact O-N 3.17Å; H80-V82 VanDerWaalsContact C-N 3.3Å; H80-V82 PolarHBondContact ND1-N 3.34Å; H80-V82 PolarHBondContact O-N 2.81Å; H80-V82 VanDerWaalsContact O-N 3.17Å; H80-L83 HydrophobicContact CB-CB 3.99Å; H80-L83 HydrophobicContact CB-CD1 4.44Å; H80-L83 HydrophobicContact CB-CG 4.39Å; H80-L83 PolarHBondContact ND1-N 3.43Å; H80-L83 VanDerWaalsContact ND1-N 3.19Å; H80-S84 WeakPolarHBondContact O-CB 3.35Å; H80-S84 PolarHBondContact O-N 2.61Å; H80-S84 VanDerWaalsContact O-N 3.13Å; H80-S84 PolarHBondContact O-OG 3.28Å
81P91.7Very high93Very high50 Ų5042.5 Ų42.533%0.32522%0.223SC..THydrogen-bonded Turntrans-54.2-40.3-175.9-29.135.3000114.7P137 A140P81-P137 HydrophobicContact CB-CG 4.28Å; P81-P137 HydrophobicContact CG-CG 4.18Å; P81-A140 HydrophobicContact CB-CB 3.64Å
82V90.7Very high93.3Very high13 Ų1339.6 Ų39.68%0.07921%0.205CC..THydrogen-bonded Turntrans-92.1-56.2177.7-175.50000113.2H80 S84 S85 F86 A140 L201H80-V82 VanDerWaalsContact C-N 3.3Å; H80-V82 PolarHBondContact ND1-N 3.34Å; H80-V82 PolarHBondContact O-N 2.81Å; H80-V82 VanDerWaalsContact O-N 3.17Å; V82-S84 VanDerWaalsContact C-N 3.26Å; V82-S84 PolarHBondContact O-N 3.36Å; V82-S85 PolarHBondContact O-N 3.48Å; V82-F86 HydrophobicContact CG1-CE2 4.31Å; V82-A140 HydrophobicContact CG2-CB 3.83Å; V82-L201 HydrophobicContact CG1-CD2 4.03Å
83L90.6Very high93.6Very high66 Ų6632.2 Ų32.235%0.34617%0.17SC..THydrogen-bonded Turntrans-63.9-25.2-172.1-56.8174.7000114.4E77 H80 S85 F86 V87E77-L83 HydrophobicContact CG-CB 3.92Å; E77-L83 HydrophobicContact CG-CD1 4.35Å; H80-L83 HydrophobicContact CB-CB 3.99Å; H80-L83 HydrophobicContact CB-CD1 4.44Å; H80-L83 HydrophobicContact CB-CG 4.39Å; H80-L83 PolarHBondContact ND1-N 3.43Å; H80-L83 VanDerWaalsContact ND1-N 3.19Å; L83-S85 PolarHBondContact O-N 3.11Å; L83-F86 WeakPolarHBondContact O-CB 3.41Å; L83-F86 PolarHBondContact O-N 3.11Å; L83-V87 PolarHBondContact O-N 3.18Å
84S93.5Very high94Very high6 Ų630.6 Ų30.64%0.04216%0.159CC..Hα-helixtrans-51-41.2175.1590000111.7E77 V78 H80 V82 F86 V87 Y123 Q127E77-S84 PolarHBondContact O-N 3.45Å; V78-S84 WeakPolarHBondContact O-CB 3.44Å; H80-S84 WeakPolarHBondContact O-CB 3.35Å; H80-S84 PolarHBondContact O-N 2.61Å; H80-S84 VanDerWaalsContact O-N 3.13Å; H80-S84 PolarHBondContact O-OG 3.28Å; V82-S84 VanDerWaalsContact C-N 3.26Å; V82-S84 PolarHBondContact O-N 3.36Å; S84-F86 VanDerWaalsContact C-N 3.25Å; S84-F86 PolarHBondContact O-N 3.49Å; S84-V87 WeakPolarHBondContact O-CB 3.44Å; S84-V87 PolarHBondContact O-N 2.91Å; S84-V87 VanDerWaalsContact O-N 3.1Å; S84-Y123 PolarHBondContact O-OH 2.87Å; S84-Q127 PolarHBondContact OG-NE2 3.47Å
85S94Very high94.3Very high1 Ų130.2 Ų30.21%0.00716%0.157CC..Hα-helixtrans-61.8-32.6179.3-53.60000113.2V82 L83 V87 S88 G144 L147V82-S85 PolarHBondContact O-N 3.48Å; L83-S85 PolarHBondContact O-N 3.11Å; S85-V87 VanDerWaalsContact C-N 3.35Å; S85-S88 WeakPolarHBondContact O-CB 3.49Å; S85-S88 PolarHBondContact O-N 2.9Å; S85-S88 PolarHBondContact O-OG 2.93Å; S85-G144 WeakPolarHBondContact CB-O 3.31Å; S85-L147 WeakPolarHBondContact O-CB 3.49Å
86F92.5Very high94.5Very high21 Ų2127.1 Ų27.19%0.09214%0.141CC..Hα-helixtrans-75.7-21.9179.1-68.6-95.6000113.1V82 L83 S84 S88 L89 L147 I207V82-F86 HydrophobicContact CG1-CE2 4.31Å; L83-F86 WeakPolarHBondContact O-CB 3.41Å; L83-F86 PolarHBondContact O-N 3.11Å; S84-F86 VanDerWaalsContact C-N 3.25Å; S84-F86 PolarHBondContact O-N 3.49Å; F86-S88 PolarHBondContact O-N 3.46Å; F86-L89 HydrophobicContact CB-CD1 4.38Å; F86-L89 HydrophobicContact CD1-CD1 3.95Å; F86-L89 VanDerWaalsContact O-CB 3.22Å; F86-L89 WeakPolarHBondContact O-CB 3.25Å; F86-L89 VanDerWaalsContact O-CG 3.32Å; F86-L89 WeakPolarHBondContact O-CG 3.27Å; F86-L89 PolarHBondContact O-N 3.03Å; F86-L147 HydrophobicContact CD1-CD1 3.98Å; F86-L147 HydrophobicContact CE1-CD1 4.26Å; F86-L147 HydrophobicContact CG-CD1 4.2Å; F86-I207 HydrophobicContact CE1-CD1 4.16Å; F86-I207 HydrophobicContact CZ-CD1 4.08Å
87V94.6Very high94.8Very high12 Ų1224.1 Ų24.17%0.07312%0.115CC..Hα-helixtrans-60.6-30.6172.8-179.70000111A15 F63 E77 V78 L83 S84 S85 L89 F90 Y123A15-V87 HydrophobicContact CB-CB 4.43Å; A15-V87 HydrophobicContact CB-CG2 4.16Å; F63-V87 HydrophobicContact CZ-CG1 4.27Å; E77-V87 HydrophobicContact CG-CG2 4.13Å; V78-V87 HydrophobicContact CG2-CG1 4.09Å; V78-V87 HydrophobicContact CG2-CG2 3.98Å; L83-V87 PolarHBondContact O-N 3.18Å; S84-V87 WeakPolarHBondContact O-CB 3.44Å; S84-V87 PolarHBondContact O-N 2.91Å; S84-V87 VanDerWaalsContact O-N 3.1Å; S85-V87 VanDerWaalsContact C-N 3.35Å; V87-L89 PolarHBondContact O-N 3.38Å; V87-L89 VanDerWaalsContact O-N 3.11Å; V87-F90 PolarHBondContact O-N 2.96Å; V87-F90 VanDerWaalsContact O-N 3.13Å; V87-Y123 HydrophobicContact CB-CE2 4.31Å; V87-Y123 HydrophobicContact CG1-CE2 4Å
88S95.7Very high95Very high1 Ų123.7 Ų23.71%0.00711%0.114CC..THydrogen-bonded Turntrans-65.2-11.7176.3810000114.1S85 F86 F90 P91 A92 L147 N152S85-S88 WeakPolarHBondContact O-CB 3.49Å; S85-S88 PolarHBondContact O-N 2.9Å; S85-S88 PolarHBondContact O-OG 2.93Å; F86-S88 PolarHBondContact O-N 3.46Å; S88-F90 PolarHBondContact O-N 2.82Å; S88-P91 VanDerWaalsContact O-CD 3.23Å; S88-P91 WeakPolarHBondContact O-CD 3.35Å; S88-P91 VanDerWaalsContact O-CG 3.3Å; S88-P91 WeakPolarHBondContact O-CG 3.47Å; S88-A92 PolarHBondContact O-N 3Å; S88-L147 VanDerWaalsContact OG-CB 3.25Å; S88-L147 WeakPolarHBondContact OG-CB 3.46Å; S88-N152 WeakPolarHBondContact CB-ND2 3.29Å; S88-N152 PolarHBondContact O-ND2 3.01Å; S88-N152 PolarHBondContact O-OD1 3.16Å
89L95.1Very high95Very high9 Ų923.6 Ų23.65%0.04711%0.112CC..Hα-helixtrans-67.8-23.1172.5-66174.6000113F18 L22 F86 V87 A92 T93 L147F18-L89 HydrophobicContact CB-CB 3.64Å; F18-L89 HydrophobicContact CB-CD1 4.44Å; L22-L89 HydrophobicContact CD1-CD2 3.87Å; F86-L89 HydrophobicContact CB-CD1 4.38Å; F86-L89 HydrophobicContact CD1-CD1 3.95Å; F86-L89 VanDerWaalsContact O-CB 3.22Å; F86-L89 WeakPolarHBondContact O-CB 3.25Å; F86-L89 VanDerWaalsContact O-CG 3.32Å; F86-L89 WeakPolarHBondContact O-CG 3.27Å; F86-L89 PolarHBondContact O-N 3.03Å; V87-L89 PolarHBondContact O-N 3.38Å; V87-L89 VanDerWaalsContact O-N 3.11Å; L89-A92 WeakPolarHBondContact O-CB 3.42Å; L89-A92 PolarHBondContact O-N 2.96Å; L89-T93 WeakPolarHBondContact O-CB 3.49Å; L89-T93 WeakPolarHBondContact O-CG2 3.45Å; L89-T93 PolarHBondContact O-N 3.32Å; L89-T93 PolarHBondContact O-OG1 3.24Å; L89-L147 HydrophobicContact CD1-CD1 4.45Å; L89-L147 HydrophobicContact CD2-CD1 4.09Å; L89-L147 HydrophobicContact CD2-CD2 3.95Å; L89-L147 HydrophobicContact CG-CD1 4.12Å
90F96.6Very high95Very high27 Ų2715.2 Ų15.212%0.1188%0.081CC..Hα-helixtrans-60.1-61176171.4-117.4000111.4F18 T60 V87 S88 A92 T93 T94 F115F18-F90 AromaticContact CE1-CD2 3.93Å; F18-F90 HydrophobicContact CE1-CD2 3.93Å; F18-F90 HydrophobicContact CE2-CB 4.27Å; F18-F90 HydrophobicContact CE2-CD2 4.29Å; F18-F90 HydrophobicContact CZ-CB 4.41Å; F18-F90 AromaticContact CZ-CD2 3.65Å; F18-F90 HydrophobicContact CZ-CD2 3.65Å; F18-F90 HydrophobicContact CZ-CE2 4.46Å; F18-F90 HydrophobicContact CZ-CG 4.46Å; T60-F90 HydrophobicContact CG2-CE2 3.68Å; T60-F90 HydrophobicContact CG2-CZ 4.24Å; V87-F90 PolarHBondContact O-N 2.96Å; V87-F90 VanDerWaalsContact O-N 3.13Å; S88-F90 PolarHBondContact O-N 2.82Å; F90-A92 VanDerWaalsContact C-N 3.28Å; F90-A92 PolarHBondContact O-N 3.31Å; F90-T93 PolarHBondContact O-N 2.9Å; F90-T93 PolarHBondContact O-OG1 2.89Å; F90-T94 PolarHBondContact O-N 3.14Å; F90-T94 PolarHBondContact O-OG1 2.76Å; F90-F115 AromaticContact CE1-CE1 3.93Å; F90-F115 HydrophobicContact CE1-CE1 3.93Å; F90-F115 HydrophobicContact CE1-CZ 4.18Å; F90-F115 AromaticContact CZ-CE1 3.99Å; F90-F115 HydrophobicContact CZ-CE1 3.99Å; F90-F115 HydrophobicContact CZ-CZ 4.36Å
91P97.6Very high95Very high2 Ų213.7 Ų13.71%0.0137%0.073CC..Hα-helixtrans-65.5-30.9176.828.2-37.1000113S88 T93 T94 M95 V119 Q120S88-P91 VanDerWaalsContact O-CD 3.23Å; S88-P91 WeakPolarHBondContact O-CD 3.35Å; S88-P91 VanDerWaalsContact O-CG 3.3Å; S88-P91 WeakPolarHBondContact O-CG 3.47Å; P91-T93 PolarHBondContact O-N 3.12Å; P91-T94 PolarHBondContact O-N 3.03Å; P91-M95 WeakPolarHBondContact O-CG 3.29Å; P91-M95 PolarHBondContact O-N 3.18Å; P91-V119 HydrophobicContact CB-CB 4.06Å; P91-V119 HydrophobicContact CB-CG1 3.86Å; P91-V119 HydrophobicContact CG-CG1 4.03Å; P91-Q120 HydrophobicContact CB-CB 3.91Å; P91-Q120 HydrophobicContact CG-CB 3.92Å
92A97Very high94.9Very high2 Ų213 Ų132%0.0177%0.068CC..Hα-helixtrans-54-54.2173.500000111.4S88 L89 F90 M95 L96 N152 I155S88-A92 PolarHBondContact O-N 3Å; L89-A92 WeakPolarHBondContact O-CB 3.42Å; L89-A92 PolarHBondContact O-N 2.96Å; F90-A92 VanDerWaalsContact C-N 3.28Å; F90-A92 PolarHBondContact O-N 3.31Å; A92-M95 PolarHBondContact O-N 3.38Å; A92-L96 PolarHBondContact O-N 3.46Å; A92-N152 VanDerWaalsContact CA-OD1 3.22Å; A92-N152 WeakPolarHBondContact CA-OD1 3.33Å; A92-N152 WeakPolarHBondContact CB-OD1 3.4Å; A92-N152 PolarHBondContact N-OD1 3.38Å; A92-I155 HydrophobicContact CB-CD1 3.79Å
93T97.2Very high94.5Very high0 Ų016.7 Ų16.70%09%0.092CC..Hα-helixtrans-71.6-30.4-177.853.30000112.4F18 V21 L22 L89 F90 P91 M95 L96 V97F18-T93 HydrophobicContact CB-CG2 4.05Å; F18-T93 HydrophobicContact CD1-CG2 4.32Å; F18-T93 WeakPolarHBondContact CD1-OG1 3.34Å; F18-T93 WeakPolarHBondContact O-CG2 3.41Å; V21-T93 HydrophobicContact CB-CG2 3.81Å; V21-T93 HydrophobicContact CG1-CG2 3.88Å; L22-T93 HydrophobicContact CB-CG2 3.93Å; L89-T93 WeakPolarHBondContact O-CB 3.49Å; L89-T93 WeakPolarHBondContact O-CG2 3.45Å; L89-T93 PolarHBondContact O-N 3.32Å; L89-T93 PolarHBondContact O-OG1 3.24Å; F90-T93 PolarHBondContact O-N 2.9Å; F90-T93 PolarHBondContact O-OG1 2.89Å; P91-T93 PolarHBondContact O-N 3.12Å; T93-M95 VanDerWaalsContact C-N 3.34Å; T93-L96 PolarHBondContact O-N 3.19Å; T93-V97 WeakPolarHBondContact O-CB 3.14Å; T93-V97 WeakPolarHBondContact O-CG2 3.29Å; T93-V97 PolarHBondContact O-N 2.79Å
94T98.2Very high94.5Very high1 Ų118.8 Ų18.81%0.00610%0.095CC..Hα-helixtrans-60.7-42.9170.6-57.90000111.9W56 F90 P91 V97 A98 L112 F115W56-T94 HydrophobicContact CZ2-CG2 3.98Å; W56-T94 PolarHBondContact NE1-OG1 3.48Å; F90-T94 PolarHBondContact O-N 3.14Å; F90-T94 PolarHBondContact O-OG1 2.76Å; P91-T94 PolarHBondContact O-N 3.03Å; T94-V97 PolarHBondContact O-N 3.45Å; T94-A98 PolarHBondContact O-N 3.24Å; T94-L112 HydrophobicContact CG2-CB 4.26Å; T94-L112 HydrophobicContact CG2-CD2 4.1Å; T94-F115 HydrophobicContact CG2-CD1 4Å
95M98Very high94.5Very high0 Ų024 Ų240%012%0.117CC..Hα-helixtrans-68.9-37.5175.6-68.5-176.4-70.600112.4P91 A92 T93 A98 I99 V117 Q120 N152 I155 S156P91-M95 WeakPolarHBondContact O-CG 3.29Å; P91-M95 PolarHBondContact O-N 3.18Å; A92-M95 PolarHBondContact O-N 3.38Å; T93-M95 VanDerWaalsContact C-N 3.34Å; M95-A98 VanDerWaalsContact O-CB 3.23Å; M95-A98 WeakPolarHBondContact O-CB 3.46Å; M95-A98 PolarHBondContact O-N 3.16Å; M95-I99 WeakPolarHBondContact O-CG1 3.23Å; M95-I99 PolarHBondContact O-N 3.41Å; M95-V117 HydrophobicContact SD-CG2 3.83Å; M95-Q120 HydrophobicContact CE-CB 4.31Å; M95-Q120 HydrophobicContact CE-CG 3.93Å; M95-Q120 HydrophobicContact SD-CG 4.44Å; M95-N152 HydrophobicContact CE-CB 4.48Å; M95-I155 HydrophobicContact CB-CG2 3.58Å; M95-I155 HydrophobicContact CE-CB 4.29Å; M95-I155 HydrophobicContact CE-CG2 3.99Å; M95-S156 PolarHBondContact SD-OG 2.91Å
96L96.9Very high94.4Very high4 Ų429.5 Ų29.52%0.02114%0.138CC..Hα-helixtrans-63.4-42.4172.8-68.1170.8000111.2L22 I25 F29 A92 T93 A98 I99 G100 I155L22-L96 HydrophobicContact CB-CD1 4.21Å; L22-L96 HydrophobicContact CD1-CD1 4.29Å; L22-L96 HydrophobicContact CG-CD1 3.87Å; I25-L96 VanDerWaalsContact CD1-C 3.49Å; I25-L96 HydrophobicContact CD1-CB 4.06Å; I25-L96 VanDerWaalsContact CD1-O 3.31Å; I25-L96 WeakPolarHBondContact CD1-O 3.44Å; I25-L96 HydrophobicContact CG2-CB 3.74Å; I25-L96 HydrophobicContact CG2-CD1 3.73Å; I25-L96 HydrophobicContact CG2-CG 4.21Å; F29-L96 HydrophobicContact CE2-CD2 4.05Å; F29-L96 WeakPolarHBondContact CZ-O 3.17Å; A92-L96 PolarHBondContact O-N 3.46Å; T93-L96 PolarHBondContact O-N 3.19Å; L96-A98 VanDerWaalsContact C-N 3.26Å; L96-A98 PolarHBondContact O-N 3.12Å; L96-I99 HydrophobicContact CD2-CD1 4.3Å; L96-I99 WeakPolarHBondContact O-CB 3.24Å; L96-I99 PolarHBondContact O-N 3.03Å; L96-G100 PolarHBondContact O-N 3.28Å; L96-I155 HydrophobicContact CD1-CD1 4.16Å; L96-I155 HydrophobicContact CD2-CG1 4.23Å; L96-I155 HydrophobicContact CD2-CG2 3.94Å; L96-I155 HydrophobicContact CG-CD1 4.29Å; L96-I155 HydrophobicContact CG-CG1 4.44Å; L96-I155 HydrophobicContact CG-CG2 3.89Å
97V97.8Very high94.6Very high0 Ų032.4 Ų32.40%016%0.159CC..Hα-helixtrans-61.5-37.8173.6167.20000111V21 I25 M53 W56 T93 T94 I99 G100 F101 L112V21-V97 HydrophobicContact CG1-CG2 4.47Å; I25-V97 HydrophobicContact CD1-CG2 4.07Å; M53-V97 HydrophobicContact CE-CG1 4.39Å; M53-V97 HydrophobicContact CG-CG1 4.01Å; M53-V97 HydrophobicContact CG-CG2 4.24Å; W56-V97 HydrophobicContact CB-CG2 3.87Å; W56-V97 HydrophobicContact CD2-CB 4.44Å; W56-V97 HydrophobicContact CD2-CG1 4.44Å; W56-V97 HydrophobicContact CD2-CG2 3.93Å; W56-V97 HydrophobicContact CE3-CG1 4.22Å; W56-V97 HydrophobicContact CE3-CG2 4.37Å; W56-V97 HydrophobicContact CG-CG2 3.68Å; W56-V97 HydrophobicContact CZ3-CG1 4.47Å; T93-V97 WeakPolarHBondContact O-CB 3.14Å; T93-V97 WeakPolarHBondContact O-CG2 3.29Å; T93-V97 PolarHBondContact O-N 2.79Å; T94-V97 PolarHBondContact O-N 3.45Å; V97-I99 PolarHBondContact O-N 2.9Å; V97-G100 WeakPolarHBondContact O-CA 3.4Å; V97-G100 PolarHBondContact O-N 2.82Å; V97-G100 VanDerWaalsContact O-N 3.11Å; V97-F101 HydrophobicContact CG1-CD2 3.71Å; V97-F101 HydrophobicContact CG1-CE2 3.62Å; V97-F101 WeakPolarHBondContact O-CD2 3.17Å; V97-F101 PolarHBondContact O-N 2.91Å; V97-L112 HydrophobicContact CG1-CD1 4.03Å
98A97.4Very high94.6Very high1 Ų134.7 Ų34.71%0.00817%0.17CC..Hα-helixtrans-56.8-49172.600000112T94 M95 L96 G100 F101 V102 A109 L112 F113T94-A98 PolarHBondContact O-N 3.24Å; M95-A98 VanDerWaalsContact O-CB 3.23Å; M95-A98 WeakPolarHBondContact O-CB 3.46Å; M95-A98 PolarHBondContact O-N 3.16Å; L96-A98 VanDerWaalsContact C-N 3.26Å; L96-A98 PolarHBondContact O-N 3.12Å; A98-G100 VanDerWaalsContact C-N 3.26Å; A98-G100 PolarHBondContact O-N 2.86Å; A98-F101 PolarHBondContact O-N 2.9Å; A98-F101 VanDerWaalsContact O-N 3.12Å; A98-V102 PolarHBondContact O-N 3.13Å; A98-A109 WeakPolarHBondContact CB-O 3.22Å; A98-A109 VanDerWaalsContact O-CB 3.24Å; A98-A109 WeakPolarHBondContact O-CB 3.43Å; A98-L112 HydrophobicContact CB-CB 3.68Å; A98-F113 HydrophobicContact CB-CB 4.05Å
99I93.8Very high94.6Very high23 Ų2334.6 Ų34.612%0.11817%0.17CC..Hα-helixtrans-56.1-43.5173.9-63.5168.8000110.5F29 M95 L96 V97 F101 V102 M158 A159 A162F29-I99 HydrophobicContact CD2-CG2 4.44Å; F29-I99 HydrophobicContact CE1-CG2 4.09Å; F29-I99 HydrophobicContact CE2-CB 3.96Å; F29-I99 HydrophobicContact CE2-CD1 4.39Å; F29-I99 HydrophobicContact CE2-CG2 3.68Å; F29-I99 HydrophobicContact CZ-CB 3.66Å; F29-I99 HydrophobicContact CZ-CG2 3.47Å; F29-I99 VanDerWaalsContact CZ-CG2 3.47Å; M95-I99 WeakPolarHBondContact O-CG1 3.23Å; M95-I99 PolarHBondContact O-N 3.41Å; L96-I99 HydrophobicContact CD2-CD1 4.3Å; L96-I99 WeakPolarHBondContact O-CB 3.24Å; L96-I99 PolarHBondContact O-N 3.03Å; V97-I99 PolarHBondContact O-N 2.9Å; I99-F101 PolarHBondContact O-N 2.52Å; I99-V102 WeakPolarHBondContact O-CB 3.31Å; I99-V102 PolarHBondContact O-N 2.99Å; I99-V102 VanDerWaalsContact O-N 3.15Å; I99-M158 HydrophobicContact CD1-CB 3.88Å; I99-A159 HydrophobicContact CD1-CB 3.98Å; I99-A159 HydrophobicContact CG1-CB 3.79Å; I99-A162 HydrophobicContact CG1-CB 4.23Å; I99-A162 HydrophobicContact CG2-CB 4.05Å
100G92.5Very high94.7Very high0 Ų036 Ų360%018%0.179CC..Hα-helixtrans-60-33.3179.300000114R32 L96 V97 A98 P103R32-G100 PolarHBondContact NH1-O 2.9Å; L96-G100 PolarHBondContact O-N 3.28Å; V97-G100 WeakPolarHBondContact O-CA 3.4Å; V97-G100 PolarHBondContact O-N 2.82Å; V97-G100 VanDerWaalsContact O-N 3.11Å; A98-G100 VanDerWaalsContact C-N 3.26Å; A98-G100 PolarHBondContact O-N 2.86Å; G100-P103 WeakPolarHBondContact O-CD 3.37Å
101F93.2Very high94.8Very high48 Ų4838.6 Ų38.621%0.21120%0.199CC..Hα-helixtrans-80.5-15.9178-88.1-69.4000114.5M53 V97 A98 I99 P103 W104 F105 L108 A109 L112M53-F101 HydrophobicContact CE-CB 4.49Å; M53-F101 HydrophobicContact CE-CD1 4.34Å; M53-F101 HydrophobicContact CE-CD2 3.6Å; M53-F101 HydrophobicContact CE-CE1 4.5Å; M53-F101 HydrophobicContact CE-CE2 3.79Å; M53-F101 HydrophobicContact CE-CG 3.89Å; M53-F101 HydrophobicContact CE-CZ 4.24Å; M53-F101 HydrophobicContact CG-CE2 4.36Å; M53-F101 HydrophobicContact SD-CD2 4.17Å; M53-F101 HydrophobicContact SD-CE1 4.24Å; M53-F101 HydrophobicContact SD-CE2 3.71Å; M53-F101 HydrophobicContact SD-CZ 3.75Å; V97-F101 HydrophobicContact CG1-CD2 3.71Å; V97-F101 HydrophobicContact CG1-CE2 3.62Å; V97-F101 WeakPolarHBondContact O-CD2 3.17Å; V97-F101 PolarHBondContact O-N 2.91Å; A98-F101 PolarHBondContact O-N 2.9Å; A98-F101 VanDerWaalsContact O-N 3.12Å; I99-F101 PolarHBondContact O-N 2.52Å; F101-P103 VanDerWaalsContact C-CD 3.49Å; F101-P103 VanDerWaalsContact C-N 3.35Å; F101-W104 HydrophobicContact CD1-CE3 4.21Å; F101-W104 PolarHBondContact O-N 2.93Å; F101-F105 PolarHBondContact O-N 2.86Å; F101-L108 HydrophobicContact CD1-CD2 3.97Å; F101-L108 HydrophobicContact CD2-CD2 4.27Å; F101-L108 HydrophobicContact CE1-CD2 3.84Å; F101-L108 HydrophobicContact CE2-CD2 4.14Å; F101-L108 HydrophobicContact CG-CD2 4.2Å; F101-L108 HydrophobicContact CZ-CD2 3.93Å; F101-A109 HydrophobicContact CB-CB 4.09Å; F101-L112 HydrophobicContact CD2-CD1 3.8Å; F101-L112 HydrophobicContact CE2-CD1 4.14Å
102V89Confident94.8Very high37 Ų3739.7 Ų39.722%0.22421%0.205CC..THydrogen-bonded Turntrans-50.1-47.3-176.6171.80000112.9A98 I99 W104 A109 A162 L163A98-V102 PolarHBondContact O-N 3.13Å; I99-V102 WeakPolarHBondContact O-CB 3.31Å; I99-V102 PolarHBondContact O-N 2.99Å; I99-V102 VanDerWaalsContact O-N 3.15Å; V102-W104 PolarHBondContact O-N 3.16Å; V102-A109 HydrophobicContact CG2-CB 3.87Å; V102-A162 HydrophobicContact CG2-CB 4.28Å; V102-L163 HydrophobicContact CG2-CD2 3.84Å; V102-L163 HydrophobicContact CG2-CG 4.38Å
103P84.1Confident94.9Very high89 Ų8940.5 Ų40.558%0.57821%0.208SC*.THydrogen-bonded Turntrans-70.5-16.4-178.9-18.933.8000114.7G100 F101G100-P103 WeakPolarHBondContact O-CD 3.37Å; F101-P103 VanDerWaalsContact C-CD 3.49Å; F101-P103 VanDerWaalsContact C-N 3.35Å
104W89.9Confident94.9Very high110 Ų11043.2 Ų43.242%0.41723%0.227SC..THydrogen-bonded Turntrans-108.2-42.4-173-60.2-37.7000113D46 V49 I50 M53 F101 V102D46-W104 HydrophobicContact CB-CZ2 4.1Å; V49-W104 HydrophobicContact CB-CH2 4.42Å; V49-W104 HydrophobicContact CG1-CH2 3.99Å; V49-W104 HydrophobicContact CG1-CZ3 4.09Å; I50-W104 HydrophobicContact CD1-CH2 4.12Å; I50-W104 HydrophobicContact CD1-CZ2 4.39Å; I50-W104 HydrophobicContact CG1-CH2 3.57Å; I50-W104 HydrophobicContact CG1-CZ2 4.32Å; I50-W104 HydrophobicContact CG1-CZ3 4.15Å; M53-W104 HydrophobicContact CE-CE3 4.24Å; M53-W104 HydrophobicContact CE-CZ3 3.66Å; M53-W104 HydrophobicContact SD-CZ3 3.75Å; F101-W104 HydrophobicContact CD1-CE3 4.21Å; F101-W104 PolarHBondContact O-N 2.93Å; V102-W104 PolarHBondContact O-N 3.16Å
105F93.5Very high94.9Very high116 Ų11648 Ų4851%0.50925%0.248SC..  trans-156.885-175.5-166.7-135.6000112.2F101 P107 L108 A109F101-F105 PolarHBondContact O-N 2.86Å; F105-P107 VanDerWaalsContact C-CD 3.48Å; F105-P107 HydrophobicContact CD2-CG 4.32Å; F105-P107 HydrophobicContact CE1-CB 4.48Å; F105-P107 HydrophobicContact CE2-CB 4.3Å; F105-P107 HydrophobicContact CE2-CG 3.87Å; F105-P107 HydrophobicContact CZ-CB 4.09Å; F105-P107 HydrophobicContact CZ-CG 4.16Å; F105-L108 HydrophobicContact CD1-CB 3.29Å; F105-L108 HydrophobicContact CD1-CD2 4.16Å; F105-L108 HydrophobicContact CD1-CG 4.37Å; F105-L108 HydrophobicContact CE1-CB 3.74Å; F105-L108 HydrophobicContact CG-CB 4.22Å; F105-L108 PolarHBondContact O-N 2.83Å; F105-A109 PolarHBondContact O-N 3.37Å; F105-A109 VanDerWaalsContact O-N 3.16Å
106R91.2Very high94.9Very high116 Ų11648 Ų4844%0.43825%0.248SC..Hα-helixtrans-52.8-41.1-178.1-170176.6-177.5179.12.2114.8L108 A109 V110 L163R106-L108 VanDerWaalsContact C-N 3.35Å; R106-L108 PolarHBondContact O-N 2.86Å; R106-A109 WeakPolarHBondContact O-CB 3.25Å; R106-A109 PolarHBondContact O-N 3.03Å; R106-A109 VanDerWaalsContact O-N 3.16Å; R106-V110 HydrophobicContact CG-CG2 4.38Å; R106-V110 WeakPolarHBondContact O-CG2 3.14Å; R106-V110 PolarHBondContact O-N 2.87Å; R106-L163 PolarHBondContact NH2-O 2.62Å
107P96.6Very high95Very high82 Ų8248.7 Ų48.753%0.53225%0.252SS..Hα-helixtrans-59.7-41.3178.6-26.535.9000113.7F105 V110 C111F105-P107 VanDerWaalsContact C-CD 3.48Å; F105-P107 HydrophobicContact CD2-CG 4.32Å; F105-P107 HydrophobicContact CE1-CB 4.48Å; F105-P107 HydrophobicContact CE2-CB 4.3Å; F105-P107 HydrophobicContact CE2-CG 3.87Å; F105-P107 HydrophobicContact CZ-CB 4.09Å; F105-P107 HydrophobicContact CZ-CG 4.16Å; P107-V110 PolarHBondContact O-N 3.34Å; P107-C111 PolarHBondContact O-N 2.8Å
108L96.4Very high95Very high60 Ų6053.4 Ų53.431%0.31428%0.281SS..Hα-helixtrans-68.7-39.3175.317862.3000111.4F101 F105 R106 V110 C111 L112F101-L108 HydrophobicContact CD1-CD2 3.97Å; F101-L108 HydrophobicContact CD2-CD2 4.27Å; F101-L108 HydrophobicContact CE1-CD2 3.84Å; F101-L108 HydrophobicContact CE2-CD2 4.14Å; F101-L108 HydrophobicContact CG-CD2 4.2Å; F101-L108 HydrophobicContact CZ-CD2 3.93Å; F105-L108 HydrophobicContact CD1-CB 3.29Å; F105-L108 HydrophobicContact CD1-CD2 4.16Å; F105-L108 HydrophobicContact CD1-CG 4.37Å; F105-L108 HydrophobicContact CE1-CB 3.74Å; F105-L108 HydrophobicContact CG-CB 4.22Å; F105-L108 PolarHBondContact O-N 2.83Å; R106-L108 VanDerWaalsContact C-N 3.35Å; R106-L108 PolarHBondContact O-N 2.86Å; L108-V110 VanDerWaalsContact C-N 3.34Å; L108-V110 PolarHBondContact O-N 3.3Å; L108-C111 PolarHBondContact O-N 3.04Å; L108-L112 HydrophobicContact CD1-CD1 4.14Å; L108-L112 HydrophobicContact CD1-CG 4.07Å; L108-L112 HydrophobicContact CG-CD1 3.98Å; L108-L112 HydrophobicContact CG-CG 4.35Å; L108-L112 WeakPolarHBondContact O-CG 3.48Å; L108-L112 PolarHBondContact O-N 3.12Å
109A95.5Very high95Very high0 Ų055.3 Ų55.30%029%0.292CS..Hα-helixtrans-57.4-46.8173.700000111.3A98 F101 V102 F105 R106 C111 L112 F113 L163A98-A109 WeakPolarHBondContact CB-O 3.22Å; A98-A109 VanDerWaalsContact O-CB 3.24Å; A98-A109 WeakPolarHBondContact O-CB 3.43Å; F101-A109 HydrophobicContact CB-CB 4.09Å; V102-A109 HydrophobicContact CG2-CB 3.87Å; F105-A109 PolarHBondContact O-N 3.37Å; F105-A109 VanDerWaalsContact O-N 3.16Å; R106-A109 WeakPolarHBondContact O-CB 3.25Å; R106-A109 PolarHBondContact O-N 3.03Å; R106-A109 VanDerWaalsContact O-N 3.16Å; A109-C111 PolarHBondContact O-N 3.11Å; A109-L112 PolarHBondContact O-N 2.74Å; A109-F113 VanDerWaalsContact O-CB 3.22Å; A109-F113 WeakPolarHBondContact O-CB 3.37Å; A109-F113 PolarHBondContact O-N 3.45Å; A109-L163 HydrophobicContact CB-CD2 4.18Å
110V97.1Very high95.2Very high39 Ų3954.2 Ų54.224%0.23629%0.287CS..Hα-helixtrans-62.4-40.8176.9174.50000111.8R106 P107 L108 S114 L163R106-V110 HydrophobicContact CG-CG2 4.38Å; R106-V110 WeakPolarHBondContact O-CG2 3.14Å; R106-V110 PolarHBondContact O-N 2.87Å; P107-V110 PolarHBondContact O-N 3.34Å; L108-V110 VanDerWaalsContact C-N 3.34Å; L108-V110 PolarHBondContact O-N 3.3Å; V110-S114 WeakPolarHBondContact O-CB 3.28Å; V110-S114 PolarHBondContact O-N 2.9Å; V110-S114 PolarHBondContact O-OG 2.95Å; V110-L163 HydrophobicContact CG2-CD2 3.87Å
111C98Very high95.5Very high81 Ų8157.8 Ų57.855%0.54731%0.306SS..Hα-helixtrans-62.7-49.8177.3-176.20000112P107 L108 A109 S114 F115P107-C111 PolarHBondContact O-N 2.8Å; L108-C111 PolarHBondContact O-N 3.04Å; A109-C111 PolarHBondContact O-N 3.11Å; C111-S114 PolarHBondContact O-N 3.21Å; C111-F115 WeakPolarHBondContact O-CB 3.5Å; C111-F115 PolarHBondContact O-N 3.29Å
112L98Very high95.8Very high25 Ų2558.4 Ų58.413%0.13132%0.319CS..Hα-helixtrans-64.4-41.4178.5-69173.1000112W56 T94 V97 A98 F101 L108 A109 G116W56-L112 HydrophobicContact CH2-CD2 4.12Å; T94-L112 HydrophobicContact CG2-CB 4.26Å; T94-L112 HydrophobicContact CG2-CD2 4.1Å; V97-L112 HydrophobicContact CG1-CD1 4.03Å; A98-L112 HydrophobicContact CB-CB 3.68Å; F101-L112 HydrophobicContact CD2-CD1 3.8Å; F101-L112 HydrophobicContact CE2-CD1 4.14Å; L108-L112 HydrophobicContact CD1-CD1 4.14Å; L108-L112 HydrophobicContact CD1-CG 4.07Å; L108-L112 HydrophobicContact CG-CD1 3.98Å; L108-L112 HydrophobicContact CG-CG 4.35Å; L108-L112 WeakPolarHBondContact O-CG 3.48Å; L108-L112 PolarHBondContact O-N 3.12Å; A109-L112 PolarHBondContact O-N 2.74Å; L112-G116 PolarHBondContact O-N 3.05Å
113F97.9Very high96.2Very high19 Ų1958 Ų588%0.08331%0.314CS..Hα-helixtrans-59.5-50.8174.2165.5-108.2000111.3A98 A109 F115 G116 V117 A159 C160 L163 Y165A98-F113 HydrophobicContact CB-CB 4.05Å; A109-F113 VanDerWaalsContact O-CB 3.22Å; A109-F113 WeakPolarHBondContact O-CB 3.37Å; A109-F113 PolarHBondContact O-N 3.45Å; F113-F115 VanDerWaalsContact C-N 3.34Å; F113-F115 PolarHBondContact O-N 3.36Å; F113-G116 PolarHBondContact O-N 2.96Å; F113-G116 VanDerWaalsContact O-N 3.17Å; F113-V117 HydrophobicContact CD2-CG2 3.79Å; F113-V117 HydrophobicContact CE1-CG2 4.37Å; F113-V117 HydrophobicContact CE2-CG2 3.36Å; F113-V117 HydrophobicContact CG-CG2 4.47Å; F113-V117 HydrophobicContact CZ-CG2 3.68Å; F113-V117 WeakPolarHBondContact O-CG2 3.47Å; F113-V117 PolarHBondContact O-N 3.34Å; F113-A159 HydrophobicContact CD2-CB 3.42Å; F113-A159 VanDerWaalsContact CD2-CB 3.42Å; F113-A159 HydrophobicContact CE2-CB 3.71Å; F113-A159 HydrophobicContact CG-CB 4.46Å; F113-C160 VanDerWaalsContact CZ-SG 3.55Å; F113-L163 HydrophobicContact CB-CD1 3.68Å; F113-L163 HydrophobicContact CD1-CD1 3.54Å; F113-L163 HydrophobicContact CD2-CD1 4.13Å; F113-L163 HydrophobicContact CE1-CD1 4.18Å; F113-L163 HydrophobicContact CG-CD1 3.5Å; F113-L163 VanDerWaalsContact CG-CD1 3.5Å; F113-Y165 HydrophobicContact CE1-CD2 4.14Å; F113-Y165 HydrophobicContact CE1-CE2 4.3Å
114S98.2Very high96.8Very high56 Ų5654.4 Ų54.439%0.39229%0.291SS..Hα-helixtrans-60.6-44.6-178.7-56.80000111.3V110 C111 V118V110-S114 WeakPolarHBondContact O-CB 3.28Å; V110-S114 PolarHBondContact O-N 2.9Å; V110-S114 PolarHBondContact O-OG 2.95Å; C111-S114 PolarHBondContact O-N 3.21Å; S114-V118 WeakPolarHBondContact O-CG2 3.43Å; S114-V118 PolarHBondContact O-N 3.19Å; S114-V118 VanDerWaalsContact O-N 3.08Å
115F98.4Very high97.1Very high102 Ų10252.2 Ų52.245%0.44730%0.297SS..Hα-helixtrans-60.6-48.4174.1175.7-93.6000111.7F90 T94 C111 F113 V117 V118 V119F90-F115 AromaticContact CE1-CE1 3.93Å; F90-F115 HydrophobicContact CE1-CE1 3.93Å; F90-F115 HydrophobicContact CE1-CZ 4.18Å; F90-F115 AromaticContact CZ-CE1 3.99Å; F90-F115 HydrophobicContact CZ-CE1 3.99Å; F90-F115 HydrophobicContact CZ-CZ 4.36Å; T94-F115 HydrophobicContact CG2-CD1 4Å; C111-F115 WeakPolarHBondContact O-CB 3.5Å; C111-F115 PolarHBondContact O-N 3.29Å; F113-F115 VanDerWaalsContact C-N 3.34Å; F113-F115 PolarHBondContact O-N 3.36Å; F115-V117 PolarHBondContact O-N 2.83Å; F115-V118 PolarHBondContact O-N 2.83Å; F115-V119 HydrophobicContact CD1-CG2 4.28Å; F115-V119 HydrophobicContact CD2-CG2 4.22Å; F115-V119 HydrophobicContact CE1-CG2 3.95Å; F115-V119 HydrophobicContact CE2-CG2 3.88Å; F115-V119 HydrophobicContact CG-CG2 4.43Å; F115-V119 HydrophobicContact CZ-CG2 3.74Å; F115-V119 WeakPolarHBondContact O-CB 3.41Å; F115-V119 VanDerWaalsContact O-CG2 3.27Å; F115-V119 WeakPolarHBondContact O-CG2 3.46Å; F115-V119 PolarHBondContact O-N 2.86Å
116G98.1Very high97.2Very high0 Ų052.5 Ų52.50%030%0.295CS..Hα-helixtrans-60.3-42.9-179.900000113L112 F113 V119 Q120L112-G116 PolarHBondContact O-N 3.05Å; F113-G116 PolarHBondContact O-N 2.96Å; F113-G116 VanDerWaalsContact O-N 3.17Å; G116-V119 PolarHBondContact O-N 2.95Å; G116-Q120 WeakPolarHBondContact O-CB 3.26Å; G116-Q120 WeakPolarHBondContact O-CG 3.1Å; G116-Q120 PolarHBondContact O-N 3.37Å
117V98.2Very high97.4Very high18 Ų1847.4 Ų47.411%0.10928%0.276CS..Hα-helixtrans-64.2-47.1177.1167.30000111.7M95 F113 F115 V119 Q120 L121 F172M95-V117 HydrophobicContact SD-CG2 3.83Å; F113-V117 HydrophobicContact CD2-CG2 3.79Å; F113-V117 HydrophobicContact CE1-CG2 4.37Å; F113-V117 HydrophobicContact CE2-CG2 3.36Å; F113-V117 HydrophobicContact CG-CG2 4.47Å; F113-V117 HydrophobicContact CZ-CG2 3.68Å; F113-V117 WeakPolarHBondContact O-CG2 3.47Å; F113-V117 PolarHBondContact O-N 3.34Å; F115-V117 PolarHBondContact O-N 2.83Å; V117-V119 VanDerWaalsContact C-N 3.35Å; V117-V119 PolarHBondContact O-N 2.92Å; V117-Q120 WeakPolarHBondContact O-CG 3.34Å; V117-Q120 PolarHBondContact O-N 3.01Å; V117-L121 HydrophobicContact CG1-CD1 3.89Å; V117-L121 HydrophobicContact CG1-CG 4.47Å; V117-L121 WeakPolarHBondContact O-CB 3.44Å; V117-L121 WeakPolarHBondContact O-CG 3.27Å; V117-L121 PolarHBondContact O-N 3.03Å; V117-F172 HydrophobicContact CG1-CE1 4.21Å; V117-F172 HydrophobicContact CG1-CE2 4.46Å; V117-F172 HydrophobicContact CG1-CZ 3.58Å; V117-F172 HydrophobicContact CG2-CZ 4.31Å
118V98.4Very high97.2Very high99 Ų9944.6 Ų44.660%0.626%0.257SS*.Hα-helixtrans-62-45.8179170.70000110.5S114 F115 A122S114-V118 WeakPolarHBondContact O-CG2 3.43Å; S114-V118 PolarHBondContact O-N 3.19Å; S114-V118 VanDerWaalsContact O-N 3.08Å; F115-V118 PolarHBondContact O-N 2.83Å; V118-A122 VanDerWaalsContact O-CB 3.25Å; V118-A122 WeakPolarHBondContact O-CB 3.49Å; V118-A122 PolarHBondContact O-N 3.06Å
119V98Very high97Very high42 Ų4243.9 Ų43.926%0.25526%0.26SS..Hα-helixtrans-67.6-43.5-178.7174.60000111.6P91 F115 G116 V117 Y123P91-V119 HydrophobicContact CB-CB 4.06Å; P91-V119 HydrophobicContact CB-CG1 3.86Å; P91-V119 HydrophobicContact CG-CG1 4.03Å; F115-V119 HydrophobicContact CD1-CG2 4.28Å; F115-V119 HydrophobicContact CD2-CG2 4.22Å; F115-V119 HydrophobicContact CE1-CG2 3.95Å; F115-V119 HydrophobicContact CE2-CG2 3.88Å; F115-V119 HydrophobicContact CG-CG2 4.43Å; F115-V119 HydrophobicContact CZ-CG2 3.74Å; F115-V119 WeakPolarHBondContact O-CB 3.41Å; F115-V119 VanDerWaalsContact O-CG2 3.27Å; F115-V119 WeakPolarHBondContact O-CG2 3.46Å; F115-V119 PolarHBondContact O-N 2.86Å; G116-V119 PolarHBondContact O-N 2.95Å; V117-V119 VanDerWaalsContact C-N 3.35Å; V117-V119 PolarHBondContact O-N 2.92Å; V119-Y123 VanDerWaalsContact O-CB 3.23Å; V119-Y123 WeakPolarHBondContact O-CB 3.43Å; V119-Y123 PolarHBondContact O-N 3.31Å
120Q98.1Very high96.9Very high0 Ų044.4 Ų44.40%027%0.266CS..Hα-helixtrans-65.8-43.2-179.675.185.6100111.9P91 M95 G116 V117 Y123 A124 N152 N153 S156P91-Q120 HydrophobicContact CB-CB 3.91Å; P91-Q120 HydrophobicContact CG-CB 3.92Å; M95-Q120 HydrophobicContact CE-CB 4.31Å; M95-Q120 HydrophobicContact CE-CG 3.93Å; M95-Q120 HydrophobicContact SD-CG 4.44Å; G116-Q120 WeakPolarHBondContact O-CB 3.26Å; G116-Q120 WeakPolarHBondContact O-CG 3.1Å; G116-Q120 PolarHBondContact O-N 3.37Å; V117-Q120 WeakPolarHBondContact O-CG 3.34Å; V117-Q120 PolarHBondContact O-N 3.01Å; Q120-Y123 PolarHBondContact O-N 3.35Å; Q120-A124 WeakPolarHBondContact O-CB 3.47Å; Q120-A124 PolarHBondContact O-N 2.91Å; Q120-N152 HydrophobicContact CB-CB 4Å; Q120-N152 HydrophobicContact CG-CB 4.19Å; Q120-N153 PolarHBondContact NE2-OD1 3.01Å; Q120-S156 PolarHBondContact NE2-OG 3.05Å
121L98.3Very high96.6Very high75 Ų7544.6 Ų44.639%0.39327%0.265SS..Hα-helixtrans-66.1-44.7178.9-71.9177.4000111.4V117 Y123 A124 A125 F172V117-L121 HydrophobicContact CG1-CD1 3.89Å; V117-L121 HydrophobicContact CG1-CG 4.47Å; V117-L121 WeakPolarHBondContact O-CB 3.44Å; V117-L121 WeakPolarHBondContact O-CG 3.27Å; V117-L121 PolarHBondContact O-N 3.03Å; L121-Y123 VanDerWaalsContact C-N 3.3Å; L121-Y123 PolarHBondContact O-N 2.95Å; L121-A124 PolarHBondContact O-N 2.87Å; L121-A125 VanDerWaalsContact O-CB 3.28Å; L121-A125 WeakPolarHBondContact O-CB 3.34Å; L121-A125 PolarHBondContact O-N 3.25Å; L121-F172 HydrophobicContact CD1-CE1 4.06Å; L121-F172 HydrophobicContact CD1-CZ 4.32Å; L121-F172 HydrophobicContact CD2-CE1 4.14Å; L121-F172 HydrophobicContact CG-CE1 4.33Å
122A98Very high96.3Very high60 Ų6051 Ų5150%0.49628%0.278SS..Hα-helixtrans-61.3-40.7175.400000111.5V118 W126V118-A122 VanDerWaalsContact O-CB 3.25Å; V118-A122 WeakPolarHBondContact O-CB 3.49Å; V118-A122 PolarHBondContact O-N 3.06Å; A122-W126 WeakPolarHBondContact O-CB 3.48Å; A122-W126 PolarHBondContact O-N 3.49Å
123Y97.4Very high96.1Very high30 Ų3059 Ų5912%0.11831%0.306CS..Hα-helixtrans-67.3-45.2178.1-167.8-97.3000112.1V78 S84 V87 V119 Q120 L121 W126 Q127V78-Y123 HydrophobicContact CG1-CE2 4.38Å; S84-Y123 PolarHBondContact O-OH 2.87Å; V87-Y123 HydrophobicContact CB-CE2 4.31Å; V87-Y123 HydrophobicContact CG1-CE2 4Å; V119-Y123 VanDerWaalsContact O-CB 3.23Å; V119-Y123 WeakPolarHBondContact O-CB 3.43Å; V119-Y123 PolarHBondContact O-N 3.31Å; Q120-Y123 PolarHBondContact O-N 3.35Å; L121-Y123 VanDerWaalsContact C-N 3.3Å; L121-Y123 PolarHBondContact O-N 2.95Å; Y123-W126 HydrophobicContact CD2-CE3 4.31Å; Y123-W126 AromaticContact CE2-CE3 3.99Å; Y123-W126 HydrophobicContact CE2-CE3 3.99Å; Y123-W126 AromaticContact CE2-CZ3 3.89Å; Y123-W126 HydrophobicContact CE2-CZ3 3.89Å; Y123-W126 PolarHBondContact O-N 3.41Å; Y123-Q127 HydrophobicContact CD1-CB 4.28Å; Y123-Q127 HydrophobicContact CE1-CB 3.92Å; Y123-Q127 HydrophobicContact CE1-CG 4.06Å; Y123-Q127 WeakPolarHBondContact O-CB 3.48Å; Y123-Q127 PolarHBondContact O-N 2.98Å
124A96.8Very high95.8Very high12 Ų1261.5 Ų61.510%0.09934%0.337CS..Hα-helixtrans-62.9-42.4176.600000111.8Q120 L121 W126 T128 A129 T149Q120-A124 WeakPolarHBondContact O-CB 3.47Å; Q120-A124 PolarHBondContact O-N 2.91Å; L121-A124 PolarHBondContact O-N 2.87Å; A124-W126 PolarHBondContact O-N 3.35Å; A124-T128 WeakPolarHBondContact O-CA 3.45Å; A124-T128 VanDerWaalsContact O-CB 3.28Å; A124-T128 WeakPolarHBondContact O-CB 3.31Å; A124-T128 PolarHBondContact O-N 3.06Å; A124-A129 PolarHBondContact O-N 2.58Å; A124-T149 HydrophobicContact CB-CG2 4.07Å
125A96.9Very high95.2Very high65 Ų6563.2 Ų63.254%0.53735%0.349SS..Hα-helixtrans-62.3-41.117600000112.1L121 A129L121-A125 VanDerWaalsContact O-CB 3.28Å; L121-A125 WeakPolarHBondContact O-CB 3.34Å; L121-A125 PolarHBondContact O-N 3.25Å; A125-A129 VanDerWaalsContact O-CB 3.25Å; A125-A129 WeakPolarHBondContact O-CB 3.45Å
126W96.1Very high94.8Very high121 Ų12160.5 Ų60.546%0.45834%0.338SS..Hα-helixtrans-74-49.2177.5171.278.4000112.8V78 A122 Y123 A124 G130V78-W126 HydrophobicContact CG1-CE3 4.49Å; V78-W126 HydrophobicContact CG1-CH2 3.26Å; V78-W126 HydrophobicContact CG1-CZ2 4.17Å; V78-W126 HydrophobicContact CG1-CZ3 3.44Å; V78-W126 VanDerWaalsContact CG1-CZ3 3.44Å; V78-W126 WeakPolarHBondContact O-CH2 3.37Å; A122-W126 WeakPolarHBondContact O-CB 3.48Å; A122-W126 PolarHBondContact O-N 3.49Å; Y123-W126 HydrophobicContact CD2-CE3 4.31Å; Y123-W126 AromaticContact CE2-CE3 3.99Å; Y123-W126 HydrophobicContact CE2-CE3 3.99Å; Y123-W126 AromaticContact CE2-CZ3 3.89Å; Y123-W126 HydrophobicContact CE2-CZ3 3.89Å; Y123-W126 PolarHBondContact O-N 3.41Å; A124-W126 PolarHBondContact O-N 3.35Å; W126-G130 WeakPolarHBondContact O-CA 3.29Å; W126-G130 PolarHBondContact O-N 3.29Å
127Q94.6Very high94.5Very high9 Ų963.4 Ų63.44%0.04236%0.356CS..Hα-helixtrans-75.8-61.3-173.4-169.9-86.7-500110.3S84 Y123 G130 L131S84-Q127 PolarHBondContact OG-NE2 3.47Å; Y123-Q127 HydrophobicContact CD1-CB 4.28Å; Y123-Q127 HydrophobicContact CE1-CB 3.92Å; Y123-Q127 HydrophobicContact CE1-CG 4.06Å; Y123-Q127 WeakPolarHBondContact O-CB 3.48Å; Y123-Q127 PolarHBondContact O-N 2.98Å; Q127-G130 CarbonylContact O-C 3.59Å; Q127-G130 WeakPolarHBondContact O-CA 3.48Å; Q127-G130 PolarHBondContact O-N 3.49Å; Q127-G130 VanDerWaalsContact O-N 3.16Å; Q127-L131 WeakPolarHBondContact O-CG 3.47Å; Q127-L131 PolarHBondContact O-N 3.21Å
128T92.2Very high94.1Very high24 Ų2468.7 Ų68.715%0.14738%0.38CS..Hα-helixtrans-73.8-46.8-167.3-52.60000111.5A124 G130 L131 T149A124-T128 WeakPolarHBondContact O-CA 3.45Å; A124-T128 VanDerWaalsContact O-CB 3.28Å; A124-T128 WeakPolarHBondContact O-CB 3.31Å; A124-T128 PolarHBondContact O-N 3.06Å; T128-G130 PolarHBondContact O-N 2.91Å; T128-L131 WeakPolarHBondContact O-CB 3.24Å; T128-L131 PolarHBondContact O-N 3.29Å; T128-L131 VanDerWaalsContact O-N 3.13Å; T128-T149 HydrophobicContact CG2-CG2 3.83Å
129A92.8Very high93.6Very high44 Ų4471.1 Ų71.136%0.36439%0.385SS..Hα-helixtrans-65.9-28172.200000111.2A124 A125 L131 W132A124-A129 PolarHBondContact O-N 2.58Å; A125-A129 VanDerWaalsContact O-CB 3.25Å; A125-A129 WeakPolarHBondContact O-CB 3.45Å; A129-L131 VanDerWaalsContact C-N 3.28Å; A129-L131 PolarHBondContact O-N 3.3Å; A129-W132 WeakPolarHBondContact O-CB 3.43Å; A129-W132 PolarHBondContact O-N 2.92Å
130G92.7Very high93.3Very high12 Ų1269.5 Ų69.512%0.12438%0.376CS..Hα-helixtrans-60.3-34.4172.200000113.8W126 Q127 T128 W132 R133W126-G130 WeakPolarHBondContact O-CA 3.29Å; W126-G130 PolarHBondContact O-N 3.29Å; Q127-G130 CarbonylContact O-C 3.59Å; Q127-G130 WeakPolarHBondContact O-CA 3.48Å; Q127-G130 PolarHBondContact O-N 3.49Å; Q127-G130 VanDerWaalsContact O-N 3.16Å; T128-G130 PolarHBondContact O-N 2.91Å; G130-W132 PolarHBondContact O-N 3.37Å; G130-R133 PolarHBondContact O-N 2.94Å; G130-R133 PolarHBondContact O-NE 3.42Å
131L92Very high93.1Very high43 Ų4370.4 Ų70.423%0.22538%0.381CS..Hα-helixtrans-68.5-21.4177.5-61.6-179.6000112.8Q127 T128 A129 R133 G134 H136 L145Q127-L131 WeakPolarHBondContact O-CG 3.47Å; Q127-L131 PolarHBondContact O-N 3.21Å; T128-L131 WeakPolarHBondContact O-CB 3.24Å; T128-L131 PolarHBondContact O-N 3.29Å; T128-L131 VanDerWaalsContact O-N 3.13Å; A129-L131 VanDerWaalsContact C-N 3.28Å; A129-L131 PolarHBondContact O-N 3.3Å; L131-R133 PolarHBondContact O-N 3.46Å; L131-G134 PolarHBondContact O-N 3.17Å; L131-H136 HydrophobicContact CD2-CB 4.15Å; L131-L145 HydrophobicContact CD1-CD2 3.96Å
132W92.3Very high92.8Very high215 Ų21566.9 Ų66.981%0.81436%0.363SS*.THydrogen-bonded Turntrans-65.5-8.4178.9-60.3-1000113.3A129 G130 G134A129-W132 WeakPolarHBondContact O-CB 3.43Å; A129-W132 PolarHBondContact O-N 2.92Å; G130-W132 PolarHBondContact O-N 3.37Å; W132-G134 PolarHBondContact O-N 3.21Å
133R92.7Very high92.7Very high194 Ų19464 Ų6473%0.73234%0.339SS*.THydrogen-bonded Turntrans-70.2-5.1170.2-68.9-180-82.8-171.1-10.3114G130 L131G130-R133 PolarHBondContact O-N 2.94Å; G130-R133 PolarHBondContact O-NE 3.42Å; L131-R133 PolarHBondContact O-N 3.46Å
134G90.7Very high92.5Very high70 Ų7062.6 Ų62.672%0.72233%0.334SS*.SBendtrans82.213.5173.200000115L131 W132L131-G134 PolarHBondContact O-N 3.17Å; W132-G134 PolarHBondContact O-N 3.21Å
135S86.3Confident92.4Very high93 Ų9362.8 Ų62.865%0.6533%0.333SS*.  trans-95.37.4-179.4660000114.1P137S135-P137 WeakPolarHBondContact O-CD 3.4Å
136H90.9Very high92.4Very high44 Ų4459.8 Ų59.820%0.20431%0.308CS..  trans-81.9119.9-179.3-17065.4000110.5L131 A140L131-H136 HydrophobicContact CD2-CB 4.15Å; H136-A140 PolarHBondContact NE2-O 3.01Å
137P92.1Very high92.4Very high61 Ų6154.5 Ų54.540%0.39629%0.288SS..  trans-64137.4177.6-20.532.9000111.8P81 S135 E139 A140P81-P137 HydrophobicContact CB-CG 4.28Å; P81-P137 HydrophobicContact CG-CG 4.18Å; S135-P137 WeakPolarHBondContact O-CD 3.4Å; P137-E139 VanDerWaalsContact C-N 3.25Å; P137-E139 PolarHBondContact O-N 3.21Å; P137-A140 HydrophobicContact CB-CB 4.3Å; P137-A140 WeakPolarHBondContact O-CB 3.28Å; P137-A140 PolarHBondContact O-N 3.44Å
138E89.3Confident92.5Very high129 Ų12954 Ų5460%0.60329%0.286SS*.G310 helixtrans-55.2-42.8179.1-172-175.6155.600111.9A140 T141 S194E138-A140 PolarHBondContact O-N 3.36Å; E138-A140 VanDerWaalsContact O-N 3.15Å; E138-T141 WeakPolarHBondContact O-CB 3.41Å; E138-T141 PolarHBondContact O-N 3.09Å; E138-T141 PolarHBondContact O-OG1 3.23Å; E138-S194 WeakPolarHBondContact OE1-CB 3.26Å; E138-S194 PolarHBondContact OE1-OG 3.49Å
139E88.5Confident92.7Very high151 Ų15153.7 Ų53.771%0.70628%0.284SS*.G310 helixtrans-59.7-26.7179.2-61.2179.1-167.900113.5P137 T141P137-E139 VanDerWaalsContact C-N 3.25Å; P137-E139 PolarHBondContact O-N 3.21Å; E139-T141 VanDerWaalsContact C-N 3.28Å; E139-T141 PolarHBondContact O-N 2.94Å
140A90.5Very high93Very high7 Ų751.7 Ų51.76%0.05827%0.267CS..G310 helixtrans-82.9-2.4178.700000113.1P81 V82 H136 P137 E138 T142P81-A140 HydrophobicContact CB-CB 3.64Å; V82-A140 HydrophobicContact CG2-CB 3.83Å; H136-A140 PolarHBondContact NE2-O 3.01Å; P137-A140 HydrophobicContact CB-CB 4.3Å; P137-A140 WeakPolarHBondContact O-CB 3.28Å; P137-A140 PolarHBondContact O-N 3.44Å; E138-A140 PolarHBondContact O-N 3.36Å; E138-A140 VanDerWaalsContact O-N 3.15Å; A140-T142 PolarHBondContact O-N 3.39Å
141T93.6Very high93.2Very high20 Ų2051.6 Ų51.612%0.12327%0.265CS..  trans-72.192.6173.9-54.40000109.3E138 E139 L145 I187 R190E138-T141 WeakPolarHBondContact O-CB 3.41Å; E138-T141 PolarHBondContact O-N 3.09Å; E138-T141 PolarHBondContact O-OG1 3.23Å; E139-T141 VanDerWaalsContact C-N 3.28Å; E139-T141 PolarHBondContact O-N 2.94Å; T141-L145 HydrophobicContact CG2-CD1 4.17Å; T141-I187 HydrophobicContact CG2-CG1 4.02Å; T141-R190 HydrophobicContact CG2-CB 4.24Å; T141-R190 WeakPolarHBondContact O-CD 3.32Å; T141-R190 WeakPolarHBondContact O-CG 3.23Å
142T93.4Very high93.5Very high1 Ų149.6 Ų49.61%0.00626%0.255CS..SBendtrans-128.6163.6-176.862.80000110A140 G144 L145 L197A140-T142 PolarHBondContact O-N 3.39Å; T142-G144 PolarHBondContact O-N 2.81Å; T142-L145 PolarHBondContact O-N 3.31Å; T142-L197 HydrophobicContact CG2-CD2 4.02Å
143P94.2Very high93.8Very high0 Ų039.8 Ų39.80%022%0.218CC..G310 helixtrans-55.1-14.6173-30.840.1000115L145 Y146 I187 L191 L205 I207 Q208P143-L145 PolarHBondContact O-N 2.94Å; P143-Y146 HydrophobicContact CB-CD2 4.03Å; P143-Y146 HydrophobicContact CB-CE2 3.96Å; P143-Y146 WeakPolarHBondContact O-CB 3.31Å; P143-Y146 WeakPolarHBondContact O-CD2 3.12Å; P143-Y146 PolarHBondContact O-N 3Å; P143-Y146 VanDerWaalsContact O-N 3.08Å; P143-I187 HydrophobicContact CG-CG2 3.91Å; P143-L191 HydrophobicContact CG-CD1 4.48Å; P143-L205 HydrophobicContact CG-CD2 3.6Å; P143-I207 HydrophobicContact CB-CB 3.89Å; P143-I207 HydrophobicContact CB-CG2 4.41Å; P143-I207 WeakPolarHBondContact O-CG2 3.42Å; P143-Q208 HydrophobicContact CG-CB 4.31Å
144G93.7Very high94Very high0 Ų030.5 Ų30.50%018%0.183CC..G310 helixtrans-52.8-33.1169.400000113.1S85 T142 Y146 L147S85-G144 WeakPolarHBondContact CB-O 3.31Å; T142-G144 PolarHBondContact O-N 2.81Å; G144-Y146 PolarHBondContact O-N 3.21Å; G144-Y146 VanDerWaalsContact O-N 3.07Å; G144-L147 WeakPolarHBondContact O-CB 3.32Å; G144-L147 WeakPolarHBondContact O-CG 3.45Å; G144-L147 PolarHBondContact O-N 2.95Å
145L95.2Very high94.3Very high16 Ų1627.2 Ų27.28%0.08415%0.149CC..G310 helixtrans-61.3-16.8178.6-69175.4000114L131 T141 T142 P143 L147 P148 I187L131-L145 HydrophobicContact CD1-CD2 3.96Å; T141-L145 HydrophobicContact CG2-CD1 4.17Å; T142-L145 PolarHBondContact O-N 3.31Å; P143-L145 PolarHBondContact O-N 2.94Å; L145-L147 VanDerWaalsContact C-N 3.3Å; L145-P148 WeakPolarHBondContact O-CD 3.27Å; L145-I187 HydrophobicContact CB-CD1 4.32Å
146Y96.8Very high94.9Very high2 Ų222.8 Ų22.81%0.00812%0.118CC..Hα-helixtrans-69.6-25.8171.8-62.5-44.8000113P143 G144 V150 A151 W180 L183 E184 I187 I207 Q208 P211P143-Y146 HydrophobicContact CB-CD2 4.03Å; P143-Y146 HydrophobicContact CB-CE2 3.96Å; P143-Y146 WeakPolarHBondContact O-CB 3.31Å; P143-Y146 WeakPolarHBondContact O-CD2 3.12Å; P143-Y146 PolarHBondContact O-N 3Å; P143-Y146 VanDerWaalsContact O-N 3.08Å; G144-Y146 PolarHBondContact O-N 3.21Å; G144-Y146 VanDerWaalsContact O-N 3.07Å; Y146-V150 HydrophobicContact CD1-CB 4.43Å; Y146-V150 HydrophobicContact CD1-CG2 3.85Å; Y146-V150 HydrophobicContact CG-CG2 4.46Å; Y146-V150 CarbonylContact O-C 3.52Å; Y146-V150 VanDerWaalsContact O-CA 3.29Å; Y146-V150 WeakPolarHBondContact O-CA 3.43Å; Y146-V150 WeakPolarHBondContact O-CB 3.44Å; Y146-V150 PolarHBondContact O-N 3.27Å; Y146-A151 PolarHBondContact O-N 3.48Å; Y146-W180 AromaticContact CE1-CD1 3.85Å; Y146-L183 HydrophobicContact CD1-CB 4.16Å; Y146-L183 HydrophobicContact CD1-CD1 4.23Å; Y146-L183 HydrophobicContact CE1-CB 3.82Å; Y146-E184 WeakPolarHBondContact OH-CA 3.41Å; Y146-E184 PolarHBondContact OH-OE2 3.41Å; Y146-I187 HydrophobicContact CD1-CD1 4.02Å; Y146-I187 HydrophobicContact CD2-CD1 4.49Å; Y146-I187 HydrophobicContact CE1-CD1 3.41Å; Y146-I187 VanDerWaalsContact CE1-CD1 3.41Å; Y146-I187 HydrophobicContact CE2-CD1 3.95Å; Y146-I187 WeakPolarHBondContact OH-CD1 3.31Å; Y146-I207 HydrophobicContact CD2-CG2 4.12Å; Y146-Q208 VanDerWaalsContact CE2-OE1 3.27Å; Y146-Q208 PolarHBondContact OH-OE1 3.36Å; Y146-P211 HydrophobicContact CD1-CG 4.45Å; Y146-P211 HydrophobicContact CD2-CG 3.75Å; Y146-P211 HydrophobicContact CE2-CG 3.94Å; Y146-P211 HydrophobicContact CG-CG 4.04Å
147L95.7Very high95.2Very high9 Ų920.7 Ų20.75%0.04711%0.108CC..Iπ-helixtrans-61.7-48.9-170-59.3174.9000113.2S85 F86 S88 L89 G144 L145 A151 N152 I207S85-L147 WeakPolarHBondContact O-CB 3.49Å; F86-L147 HydrophobicContact CD1-CD1 3.98Å; F86-L147 HydrophobicContact CE1-CD1 4.26Å; F86-L147 HydrophobicContact CG-CD1 4.2Å; S88-L147 VanDerWaalsContact OG-CB 3.25Å; S88-L147 WeakPolarHBondContact OG-CB 3.46Å; L89-L147 HydrophobicContact CD1-CD1 4.45Å; L89-L147 HydrophobicContact CD2-CD1 4.09Å; L89-L147 HydrophobicContact CD2-CD2 3.95Å; L89-L147 HydrophobicContact CG-CD1 4.12Å; G144-L147 WeakPolarHBondContact O-CB 3.32Å; G144-L147 WeakPolarHBondContact O-CG 3.45Å; G144-L147 PolarHBondContact O-N 2.95Å; L145-L147 VanDerWaalsContact C-N 3.3Å; L147-A151 HydrophobicContact CD2-CB 4.22Å; L147-N152 PolarHBondContact O-N 3.4Å; L147-N152 PolarHBondContact O-ND2 3.04Å; L147-I207 HydrophobicContact CD1-CD1 3.98Å; L147-I207 HydrophobicContact CD2-CD1 4.25Å; L147-I207 HydrophobicContact CD2-CG2 4.07Å; L147-I207 HydrophobicContact CG-CD1 4.14Å
148P96.8Very high95.3Very high0 Ų018.7 Ų18.70%09%0.094CC..Iπ-helixtrans-70-36.6-173.9-21.135.2000114.5L145 N152L145-P148 WeakPolarHBondContact O-CD 3.27Å; P148-N152 WeakPolarHBondContact O-CB 3.44Å
149T97.3Very high95.6Very high16 Ų1612.6 Ų12.610%0.0987%0.066CC..Iπ-helixtrans-116-18.8-171.453.40000114.8A124 T128 N153A124-T149 HydrophobicContact CB-CG2 4.07Å; T128-T149 HydrophobicContact CG2-CG2 3.83Å; T149-N153 WeakPolarHBondContact O-CB 3.44Å; T149-N153 PolarHBondContact O-ND2 3.27Å
150V98.2Very high95.8Very high2 Ų25.4 Ų5.41%0.0123%0.032CC..Iπ-helixtrans-100.9-62.9178-178.60000109.7Y146 N152 N153 F154 W180 L183 P211Y146-V150 HydrophobicContact CD1-CB 4.43Å; Y146-V150 HydrophobicContact CD1-CG2 3.85Å; Y146-V150 HydrophobicContact CG-CG2 4.46Å; Y146-V150 CarbonylContact O-C 3.52Å; Y146-V150 VanDerWaalsContact O-CA 3.29Å; Y146-V150 WeakPolarHBondContact O-CA 3.43Å; Y146-V150 WeakPolarHBondContact O-CB 3.44Å; Y146-V150 PolarHBondContact O-N 3.27Å; V150-N152 PolarHBondContact O-N 3.29Å; V150-N153 PolarHBondContact O-N 2.85Å; V150-F154 HydrophobicContact CG1-CD2 3.76Å; V150-F154 HydrophobicContact CG1-CE2 3.21Å; V150-F154 HydrophobicContact CG1-CZ 3.88Å; V150-F154 WeakPolarHBondContact O-CD2 3.49Å; V150-F154 WeakPolarHBondContact O-CG 3.27Å; V150-F154 PolarHBondContact O-N 3.21Å; V150-W180 HydrophobicContact CB-CB 4.43Å; V150-W180 HydrophobicContact CG1-CB 3.73Å; V150-W180 HydrophobicContact CG1-CG 4.3Å; V150-W180 HydrophobicContact CG2-CB 3.81Å; V150-L183 HydrophobicContact CG2-CD1 4.26Å; V150-P211 HydrophobicContact CG1-CB 4.3Å
151A96.6Very high95.6Very high10 Ų106 Ų68%0.0834%0.038CC..Iπ-helixtrans-62.9-47.4-175.300000111.8Y146 L147 N153 F154 I155 F266Y146-A151 PolarHBondContact O-N 3.48Å; L147-A151 HydrophobicContact CD2-CB 4.22Å; A151-N153 PolarHBondContact O-N 2.9Å; A151-F154 PolarHBondContact O-N 3.21Å; A151-I155 WeakPolarHBondContact O-CB 3.21Å; A151-I155 VanDerWaalsContact O-CG1 3.24Å; A151-I155 WeakPolarHBondContact O-CG1 3.04Å; A151-I155 PolarHBondContact O-N 3.09Å; A151-F266 HydrophobicContact CB-CE1 4.32Å
152N97.9Very high95.3Very high1 Ų17 Ų71%0.0055%0.049CC..Hα-helixtrans-60.8-42.4179.2-85-27000113.3S88 A92 M95 Q120 L147 P148 V150 I155 S156S88-N152 WeakPolarHBondContact CB-ND2 3.29Å; S88-N152 PolarHBondContact O-ND2 3.01Å; S88-N152 PolarHBondContact O-OD1 3.16Å; A92-N152 VanDerWaalsContact CA-OD1 3.22Å; A92-N152 WeakPolarHBondContact CA-OD1 3.33Å; A92-N152 WeakPolarHBondContact CB-OD1 3.4Å; A92-N152 PolarHBondContact N-OD1 3.38Å; M95-N152 HydrophobicContact CE-CB 4.48Å; Q120-N152 HydrophobicContact CB-CB 4Å; Q120-N152 HydrophobicContact CG-CB 4.19Å; L147-N152 PolarHBondContact O-N 3.4Å; L147-N152 PolarHBondContact O-ND2 3.04Å; P148-N152 WeakPolarHBondContact O-CB 3.44Å; V150-N152 PolarHBondContact O-N 3.29Å; N152-I155 PolarHBondContact O-N 3.44Å; N152-S156 WeakPolarHBondContact O-CB 3.2Å; N152-S156 PolarHBondContact O-N 3.37Å; N152-S156 PolarHBondContact O-OG 2.68Å
153N98.6Very high95Very high9 Ų97.1 Ų7.15%0.0485%0.05CC..Hα-helixtrans-68.4-39.3178.4-79-40.9000111.6Q120 T149 V150 A151 I155 S156 A157 F172 A175Q120-N153 PolarHBondContact NE2-OD1 3.01Å; T149-N153 WeakPolarHBondContact O-CB 3.44Å; T149-N153 PolarHBondContact O-ND2 3.27Å; V150-N153 PolarHBondContact O-N 2.85Å; A151-N153 PolarHBondContact O-N 2.9Å; N153-I155 PolarHBondContact O-N 2.98Å; N153-S156 PolarHBondContact O-N 3.47Å; N153-A157 PolarHBondContact O-N 3.01Å; N153-F172 WeakPolarHBondContact CB-O 3.4Å; N153-F172 WeakPolarHBondContact O-CB 3.49Å; N153-F172 WeakPolarHBondContact OD1-CD1 3.39Å; N153-A175 HydrophobicContact CB-CB 4.42Å
154F98Very high94.5Very high0 Ų09.7 Ų9.70%08%0.076CC..Hα-helixtrans-64.9-37.7171.8-64.1-31.5000113.1V150 A151 A157 M158 L173 G176 V177 W180 P211 V214 A215 A218V150-F154 HydrophobicContact CG1-CD2 3.76Å; V150-F154 HydrophobicContact CG1-CE2 3.21Å; V150-F154 HydrophobicContact CG1-CZ 3.88Å; V150-F154 WeakPolarHBondContact O-CD2 3.49Å; V150-F154 WeakPolarHBondContact O-CG 3.27Å; V150-F154 PolarHBondContact O-N 3.21Å; A151-F154 PolarHBondContact O-N 3.21Å; F154-A157 WeakPolarHBondContact O-CB 3.34Å; F154-A157 PolarHBondContact O-N 3.45Å; F154-M158 WeakPolarHBondContact O-CG 3.35Å; F154-M158 PolarHBondContact O-N 3.37Å; F154-L173 HydrophobicContact CD1-CD1 3.92Å; F154-L173 HydrophobicContact CE1-CD1 3.99Å; F154-G176 VanDerWaalsContact CE1-C 3.42Å; F154-G176 VanDerWaalsContact CZ-C 3.47Å; F154-V177 HydrophobicContact CE1-CG2 3.8Å; F154-V177 HydrophobicContact CZ-CG2 4.09Å; F154-W180 HydrophobicContact CZ-CE3 4.47Å; F154-P211 WeakPolarHBondContact CE2-O 3.22Å; F154-V214 HydrophobicContact CB-CG1 3.64Å; F154-V214 HydrophobicContact CD2-CB 4.23Å; F154-V214 HydrophobicContact CD2-CG1 3.98Å; F154-V214 HydrophobicContact CG-CG1 4.26Å; F154-A215 HydrophobicContact CD1-CB 4.42Å; F154-A215 HydrophobicContact CD2-CB 4.21Å; F154-A215 HydrophobicContact CE1-CB 3.88Å; F154-A215 HydrophobicContact CE2-CB 3.62Å; F154-A215 HydrophobicContact CZ-CB 3.46Å; F154-A215 VanDerWaalsContact CZ-CB 3.46Å; F154-A218 HydrophobicContact CB-CB 3.94Å; F154-A218 HydrophobicContact CD1-CB 4.28Å; F154-A218 HydrophobicContact CG-CB 4.37Å
155I97.3Very high94.3Very high0 Ų014.5 Ų14.50%010%0.095CC..Hα-helixtrans-67.4-39174.9-66.9164.4000111.1A92 M95 L96 A151 N152 N153 A157 M158 A159 F266A92-I155 HydrophobicContact CB-CD1 3.79Å; M95-I155 HydrophobicContact CB-CG2 3.58Å; M95-I155 HydrophobicContact CE-CB 4.29Å; M95-I155 HydrophobicContact CE-CG2 3.99Å; L96-I155 HydrophobicContact CD1-CD1 4.16Å; L96-I155 HydrophobicContact CD2-CG1 4.23Å; L96-I155 HydrophobicContact CD2-CG2 3.94Å; L96-I155 HydrophobicContact CG-CD1 4.29Å; L96-I155 HydrophobicContact CG-CG1 4.44Å; L96-I155 HydrophobicContact CG-CG2 3.89Å; A151-I155 WeakPolarHBondContact O-CB 3.21Å; A151-I155 VanDerWaalsContact O-CG1 3.24Å; A151-I155 WeakPolarHBondContact O-CG1 3.04Å; A151-I155 PolarHBondContact O-N 3.09Å; N152-I155 PolarHBondContact O-N 3.44Å; N153-I155 PolarHBondContact O-N 2.98Å; I155-A157 VanDerWaalsContact C-N 3.3Å; I155-A157 PolarHBondContact O-N 3.31Å; I155-M158 HydrophobicContact CB-CE 4.13Å; I155-M158 HydrophobicContact CG1-CE 3.56Å; I155-M158 PolarHBondContact O-N 3.34Å; I155-A159 WeakPolarHBondContact O-CB 3.49Å; I155-A159 PolarHBondContact O-N 2.87Å; I155-F266 HydrophobicContact CD1-CE1 4.17Å; I155-F266 HydrophobicContact CD1-CZ 3.81Å; I155-F266 HydrophobicContact CG1-CE1 4.5Å; I155-F266 HydrophobicContact CG1-CZ 3.86Å
156S98.4Very high93.9Very high0 Ų016.5 Ų16.50%011%0.108CC..Hα-helixtrans-59.3-42.5171.2-620000111.1M95 Q120 N152 N153 A159 C160M95-S156 PolarHBondContact SD-OG 2.91Å; Q120-S156 PolarHBondContact NE2-OG 3.05Å; N152-S156 WeakPolarHBondContact O-CB 3.2Å; N152-S156 PolarHBondContact O-N 3.37Å; N152-S156 PolarHBondContact O-OG 2.68Å; N153-S156 PolarHBondContact O-N 3.47Å; S156-A159 PolarHBondContact O-N 3.42Å; S156-C160 WeakPolarHBondContact O-CB 3.42Å; S156-C160 PolarHBondContact O-N 3.12Å; S156-C160 PolarHBondContact O-SG 3.44Å; S156-C160 VanDerWaalsContact O-SG 3.39Å
157A97.8Very high93.7Very high0 Ų022.5 Ų22.50%014%0.14CC..Hα-helixtrans-63.3-44.5175.200000112.9N153 F154 I155 A159 C160 G161 G169 F172 L173 A218 V222N153-A157 PolarHBondContact O-N 3.01Å; F154-A157 WeakPolarHBondContact O-CB 3.34Å; F154-A157 PolarHBondContact O-N 3.45Å; I155-A157 VanDerWaalsContact C-N 3.3Å; I155-A157 PolarHBondContact O-N 3.31Å; A157-A159 VanDerWaalsContact C-N 3.32Å; A157-A159 PolarHBondContact O-N 3.2Å; A157-C160 WeakPolarHBondContact O-CB 3.41Å; A157-C160 PolarHBondContact O-N 3.48Å; A157-G161 PolarHBondContact O-N 3.41Å; A157-G169 VanDerWaalsContact CB-O 3.26Å; A157-G169 WeakPolarHBondContact CB-O 3.39Å; A157-F172 HydrophobicContact CB-CB 4.06Å; A157-L173 HydrophobicContact CB-CB 4.12Å; A157-A218 HydrophobicContact CB-CB 4.08Å; A157-V222 WeakPolarHBondContact O-CG1 3.5Å
158M93.2Very high93.8Very high20 Ų2024.1 Ų24.110%0.09916%0.155CC..Hα-helixtrans-59.6-42.4173.6-71.5-175.4-72.600111.9I99 F154 I155 G161 A162 V214 A218 F266I99-M158 HydrophobicContact CD1-CB 3.88Å; F154-M158 WeakPolarHBondContact O-CG 3.35Å; F154-M158 PolarHBondContact O-N 3.37Å; I155-M158 HydrophobicContact CB-CE 4.13Å; I155-M158 HydrophobicContact CG1-CE 3.56Å; I155-M158 PolarHBondContact O-N 3.34Å; M158-G161 PolarHBondContact O-N 2.89Å; M158-A162 PolarHBondContact O-N 3.22Å; M158-V214 HydrophobicContact CE-CG1 3.88Å; M158-A218 HydrophobicContact CG-CB 3.91Å; M158-F266 HydrophobicContact CE-CZ 4.25Å
159A95Very high93.7Very high0 Ų024.1 Ų24.10%016%0.155CC..Hα-helixtrans-68.1-38.417800000112.7I99 F113 I155 S156 A157 A162 L163I99-A159 HydrophobicContact CD1-CB 3.98Å; I99-A159 HydrophobicContact CG1-CB 3.79Å; F113-A159 HydrophobicContact CD2-CB 3.42Å; F113-A159 VanDerWaalsContact CD2-CB 3.42Å; F113-A159 HydrophobicContact CE2-CB 3.71Å; F113-A159 HydrophobicContact CG-CB 4.46Å; I155-A159 WeakPolarHBondContact O-CB 3.49Å; I155-A159 PolarHBondContact O-N 2.87Å; S156-A159 PolarHBondContact O-N 3.42Å; A157-A159 VanDerWaalsContact C-N 3.32Å; A157-A159 PolarHBondContact O-N 3.2Å; A159-A162 PolarHBondContact O-N 3.48Å; A159-L163 WeakPolarHBondContact O-CB 3.21Å; A159-L163 VanDerWaalsContact O-CG 3.31Å; A159-L163 WeakPolarHBondContact O-CG 3.36Å; A159-L163 PolarHBondContact O-N 2.73Å
160C94Very high93.7Very high0 Ų026.8 Ų26.80%017%0.168CC..Hα-helixtrans-57.7-48.5169.6-810000111.5F113 S156 A157 A162 L163 G164 Y165F113-C160 VanDerWaalsContact CZ-SG 3.55Å; S156-C160 WeakPolarHBondContact O-CB 3.42Å; S156-C160 PolarHBondContact O-N 3.12Å; S156-C160 PolarHBondContact O-SG 3.44Å; S156-C160 VanDerWaalsContact O-SG 3.39Å; A157-C160 WeakPolarHBondContact O-CB 3.41Å; A157-C160 PolarHBondContact O-N 3.48Å; C160-A162 PolarHBondContact O-N 2.85Å; C160-L163 PolarHBondContact O-N 3.26Å; C160-G164 PolarHBondContact O-N 2.89Å; C160-Y165 WeakPolarHBondContact CB-O 3.41Å; C160-Y165 PolarHBondContact O-N 2.86Å
161G85.9Confident93.7Very high19 Ų1931.8 Ų31.820%0.19620%0.198CC..Hα-helixtrans-57.1-48.3175.900000112.5A157 M158 L163 G164 S221A157-G161 PolarHBondContact O-N 3.41Å; M158-G161 PolarHBondContact O-N 2.89Å; G161-L163 VanDerWaalsContact C-N 3.28Å; G161-L163 PolarHBondContact O-N 3.39Å; G161-G164 PolarHBondContact O-N 2.86Å; G161-S221 VanDerWaalsContact CA-O 3.25Å; G161-S221 WeakPolarHBondContact CA-O 3.44Å
162A87Confident93.8Very high41 Ų4132.7 Ų32.734%0.33920%0.2SC..Hα-helixtrans-64.1-28.3178.400000114.1I99 V102 M158 A159 C160I99-A162 HydrophobicContact CG1-CB 4.23Å; I99-A162 HydrophobicContact CG2-CB 4.05Å; V102-A162 HydrophobicContact CG2-CB 4.28Å; M158-A162 PolarHBondContact O-N 3.22Å; A159-A162 PolarHBondContact O-N 3.48Å; C160-A162 PolarHBondContact O-N 2.85Å
163L87.4Confident93.8Very high5 Ų533.2 Ų33.23%0.02620%0.203CC..Hα-helixtrans-93.5-8.4-179.7-69.9169.9000113.9V102 R106 A109 V110 F113 A159 C160 G161 Y165V102-L163 HydrophobicContact CG2-CD2 3.84Å; V102-L163 HydrophobicContact CG2-CG 4.38Å; R106-L163 PolarHBondContact NH2-O 2.62Å; A109-L163 HydrophobicContact CB-CD2 4.18Å; V110-L163 HydrophobicContact CG2-CD2 3.87Å; F113-L163 HydrophobicContact CB-CD1 3.68Å; F113-L163 HydrophobicContact CD1-CD1 3.54Å; F113-L163 HydrophobicContact CD2-CD1 4.13Å; F113-L163 HydrophobicContact CE1-CD1 4.18Å; F113-L163 HydrophobicContact CG-CD1 3.5Å; F113-L163 VanDerWaalsContact CG-CD1 3.5Å; A159-L163 WeakPolarHBondContact O-CB 3.21Å; A159-L163 VanDerWaalsContact O-CG 3.31Å; A159-L163 WeakPolarHBondContact O-CG 3.36Å; A159-L163 PolarHBondContact O-N 2.73Å; C160-L163 PolarHBondContact O-N 3.26Å; G161-L163 VanDerWaalsContact C-N 3.28Å; G161-L163 PolarHBondContact O-N 3.39Å; L163-Y165 HydrophobicContact CB-CD2 3.66Å; L163-Y165 HydrophobicContact CB-CE2 3.67Å; L163-Y165 HydrophobicContact CB-CG 4.49Å; L163-Y165 HydrophobicContact CD1-CD2 4.29Å; L163-Y165 HydrophobicContact CD1-CE2 4.02Å; L163-Y165 HydrophobicContact CG-CE2 4.43Å
164G82.9Confident93.7Very high53 Ų5334 Ų3455%0.54621%0.213SC..THydrogen-bonded Turntrans8813.3-177.400000115.2C160 G161 T166C160-G164 PolarHBondContact O-N 2.89Å; G161-G164 PolarHBondContact O-N 2.86Å; G164-T166 PolarHBondContact O-N 3.22Å
165Y90.4Very high93.8Very high101 Ų10135.9 Ų35.940%0.39623%0.229SC..  trans-93.256.2179.7-54.4-48.3000112.2F113 C160 L163 D167 A168 G169F113-Y165 HydrophobicContact CE1-CD2 4.14Å; F113-Y165 HydrophobicContact CE1-CE2 4.3Å; C160-Y165 WeakPolarHBondContact CB-O 3.41Å; C160-Y165 PolarHBondContact O-N 2.86Å; L163-Y165 HydrophobicContact CB-CD2 3.66Å; L163-Y165 HydrophobicContact CB-CE2 3.67Å; L163-Y165 HydrophobicContact CB-CG 4.49Å; L163-Y165 HydrophobicContact CD1-CD2 4.29Å; L163-Y165 HydrophobicContact CD1-CE2 4.02Å; L163-Y165 HydrophobicContact CG-CE2 4.43Å; Y165-D167 PolarHBondContact O-N 3.45Å; Y165-A168 PolarHBondContact O-N 2.93Å; Y165-G169 PolarHBondContact O-N 3.13Å
166T86.3Confident93.8Very high58 Ų5835.9 Ų35.936%0.35623%0.229SC..Hα-helixtrans-54.1-49.3-168.7-56.10000114.3G164 A168 G169 L170 V222G164-T166 PolarHBondContact O-N 3.22Å; T166-A168 PolarHBondContact O-N 3.26Å; T166-G169 CarbonylContact O-C 3.58Å; T166-G169 WeakPolarHBondContact O-CA 3.37Å; T166-G169 PolarHBondContact O-N 3.05Å; T166-L170 PolarHBondContact O-N 3.33Å; T166-V222 HydrophobicContact CG2-CB 4.26Å; T166-V222 WeakPolarHBondContact CG2-O 3.22Å
167D93.7Very high93.8Very high129 Ų12937.7 Ų37.769%0.6924%0.24SC*.Hα-helixtrans-64-41-178.5-67.3-31.3000112.4Y165 G169 L170 V171Y165-D167 PolarHBondContact O-N 3.45Å; D167-G169 VanDerWaalsContact C-N 3.25Å; D167-G169 PolarHBondContact O-N 3.42Å; D167-L170 WeakPolarHBondContact O-CB 3.38Å; D167-L170 PolarHBondContact O-N 2.84Å; D167-V171 PolarHBondContact O-N 3.28Å; D167-V171 VanDerWaalsContact O-N 3.17Å
168A96.3Very high93.8Very high43 Ų4345 Ų4536%0.35527%0.272SS..Hα-helixtrans-62.7-37.9172.800000110.8Y165 T166 L170 V171 F172Y165-A168 PolarHBondContact O-N 2.93Å; T166-A168 PolarHBondContact O-N 3.26Å; A168-L170 VanDerWaalsContact C-N 3.33Å; A168-L170 PolarHBondContact O-N 3.35Å; A168-V171 WeakPolarHBondContact O-CB 3.25Å; A168-V171 PolarHBondContact O-N 2.96Å; A168-F172 WeakPolarHBondContact O-CD2 3.33Å; A168-F172 PolarHBondContact O-N 3.26Å; A168-F172 VanDerWaalsContact O-N 3.13Å
169G95.5Very high94Very high0 Ų045.3 Ų45.30%028%0.276CS..Hα-helixtrans-60.3-39.9174.200000113A157 Y165 T166 D167 F172 L173A157-G169 VanDerWaalsContact CB-O 3.26Å; A157-G169 WeakPolarHBondContact CB-O 3.39Å; Y165-G169 PolarHBondContact O-N 3.13Å; T166-G169 CarbonylContact O-C 3.58Å; T166-G169 WeakPolarHBondContact O-CA 3.37Å; T166-G169 PolarHBondContact O-N 3.05Å; D167-G169 VanDerWaalsContact C-N 3.25Å; D167-G169 PolarHBondContact O-N 3.42Å; G169-F172 PolarHBondContact O-N 2.84Å; G169-L173 WeakPolarHBondContact O-CB 3.49Å; G169-L173 PolarHBondContact O-N 3.24Å
170L96.5Very high94.2Very high71 Ų7146 Ų4637%0.37228%0.278SS..Hα-helixtrans-64.8-37.1174.8-69.4172.5000112.6T166 D167 A168 L173 G174 W219 V222T166-L170 PolarHBondContact O-N 3.33Å; D167-L170 WeakPolarHBondContact O-CB 3.38Å; D167-L170 PolarHBondContact O-N 2.84Å; A168-L170 VanDerWaalsContact C-N 3.33Å; A168-L170 PolarHBondContact O-N 3.35Å; L170-L173 HydrophobicContact CD2-CD2 4.32Å; L170-L173 PolarHBondContact O-N 2.76Å; L170-G174 PolarHBondContact O-N 2.91Å; L170-W219 HydrophobicContact CD2-CE3 4.32Å; L170-W219 HydrophobicContact CD2-CZ3 3.74Å; L170-V222 HydrophobicContact CD2-CG2 3.72Å; L170-V222 HydrophobicContact CG-CG2 4.36Å
171V98.3Very high94.3Very high108 Ų10850.7 Ų50.766%0.65530%0.303SS*.Hα-helixtrans-60.9-47.6174175.50000110.7D167 A168 G174 A175D167-V171 PolarHBondContact O-N 3.28Å; D167-V171 VanDerWaalsContact O-N 3.17Å; A168-V171 WeakPolarHBondContact O-CB 3.25Å; A168-V171 PolarHBondContact O-N 2.96Å; V171-G174 PolarHBondContact O-N 2.93Å; V171-A175 PolarHBondContact O-N 3.44Å
172F98.5Very high94.8Very high28 Ų2853.5 Ų53.512%0.12332%0.32CS..Hα-helixtrans-65.9-40.5176.5-75.1-67.2000112.5V117 L121 N153 A157 A168 G169 G174 A175 G176V117-F172 HydrophobicContact CG1-CE1 4.21Å; V117-F172 HydrophobicContact CG1-CE2 4.46Å; V117-F172 HydrophobicContact CG1-CZ 3.58Å; V117-F172 HydrophobicContact CG2-CZ 4.31Å; L121-F172 HydrophobicContact CD1-CE1 4.06Å; L121-F172 HydrophobicContact CD1-CZ 4.32Å; L121-F172 HydrophobicContact CD2-CE1 4.14Å; L121-F172 HydrophobicContact CG-CE1 4.33Å; N153-F172 WeakPolarHBondContact CB-O 3.4Å; N153-F172 WeakPolarHBondContact O-CB 3.49Å; N153-F172 WeakPolarHBondContact OD1-CD1 3.39Å; A157-F172 HydrophobicContact CB-CB 4.06Å; A168-F172 WeakPolarHBondContact O-CD2 3.33Å; A168-F172 PolarHBondContact O-N 3.26Å; A168-F172 VanDerWaalsContact O-N 3.13Å; G169-F172 PolarHBondContact O-N 2.84Å; F172-G174 VanDerWaalsContact C-N 3.34Å; F172-G174 PolarHBondContact O-N 3.47Å; F172-A175 PolarHBondContact O-N 2.9Å; F172-G176 PolarHBondContact O-N 2.77Å
173L98Very high95.3Very high13 Ų1353 Ų537%0.06831%0.311CS..Hα-helixtrans-58.3-47.4175.5-178.970.6000110.9F154 A157 G169 L170 A175 G176 V177 A218 W219 V222F154-L173 HydrophobicContact CD1-CD1 3.92Å; F154-L173 HydrophobicContact CE1-CD1 3.99Å; A157-L173 HydrophobicContact CB-CB 4.12Å; G169-L173 WeakPolarHBondContact O-CB 3.49Å; G169-L173 PolarHBondContact O-N 3.24Å; L170-L173 HydrophobicContact CD2-CD2 4.32Å; L170-L173 PolarHBondContact O-N 2.76Å; L173-A175 PolarHBondContact O-N 3.3Å; L173-G176 PolarHBondContact O-N 3Å; L173-V177 HydrophobicContact CD1-CG2 4.36Å; L173-V177 HydrophobicContact CG-CG2 4.4Å; L173-V177 WeakPolarHBondContact O-CG2 3.36Å; L173-V177 PolarHBondContact O-N 2.79Å; L173-A218 HydrophobicContact CD1-CB 3.79Å; L173-W219 HydrophobicContact CD2-CB 4.28Å; L173-W219 HydrophobicContact CD2-CD2 4.36Å; L173-W219 HydrophobicContact CD2-CE3 3.44Å; L173-W219 VanDerWaalsContact CD2-CE3 3.44Å; L173-W219 HydrophobicContact CD2-CZ3 4.15Å; L173-V222 HydrophobicContact CD2-CG2 4.26Å
174G98.1Very high95.7Very high24 Ų2453.4 Ų53.425%0.24731%0.313CS..Hα-helixtrans-57.6-48.5175.700000111.9L170 V171 F172 G176 V177 F178L170-G174 PolarHBondContact O-N 2.91Å; V171-G174 PolarHBondContact O-N 2.93Å; F172-G174 VanDerWaalsContact C-N 3.34Å; F172-G174 PolarHBondContact O-N 3.47Å; G174-G176 VanDerWaalsContact C-N 3.3Å; G174-G176 PolarHBondContact O-N 2.86Å; G174-V177 PolarHBondContact O-N 3.31Å; G174-F178 WeakPolarHBondContact O-CD2 3.45Å; G174-F178 PolarHBondContact O-N 3.31Å
175A98.4Very high96.3Very high41 Ų4154.4 Ų54.434%0.33931%0.31SS..Hα-helixtrans-56.9-42.317600000112.4N153 V171 F172 L173 S179N153-A175 HydrophobicContact CB-CB 4.42Å; V171-A175 PolarHBondContact O-N 3.44Å; F172-A175 PolarHBondContact O-N 2.9Å; L173-A175 PolarHBondContact O-N 3.3Å; A175-S179 WeakPolarHBondContact O-CB 3.26Å; A175-S179 PolarHBondContact O-N 2.89Å; A175-S179 VanDerWaalsContact O-N 3.11Å; A175-S179 PolarHBondContact O-OG 3.15Å
176G98.5Very high96.5Very high0 Ų053.5 Ų53.50%032%0.315CS..Hα-helixtrans-67.3-46.2177.100000113.6F154 F172 L173 G174 S179 W180F154-G176 VanDerWaalsContact CE1-C 3.42Å; F154-G176 VanDerWaalsContact CZ-C 3.47Å; F172-G176 PolarHBondContact O-N 2.77Å; L173-G176 PolarHBondContact O-N 3Å; G174-G176 VanDerWaalsContact C-N 3.3Å; G174-G176 PolarHBondContact O-N 2.86Å; G176-S179 PolarHBondContact O-N 3.27Å; G176-W180 WeakPolarHBondContact O-CB 3.44Å; G176-W180 PolarHBondContact O-N 3.33Å
177V98.2Very high97Very high37 Ų3750.7 Ų50.722%0.22430%0.298CS..Hα-helixtrans-63.7-49.9-179.1170.30000110.9F154 L173 G174 S179 W180 L181F154-V177 HydrophobicContact CE1-CG2 3.8Å; F154-V177 HydrophobicContact CZ-CG2 4.09Å; L173-V177 HydrophobicContact CD1-CG2 4.36Å; L173-V177 HydrophobicContact CG-CG2 4.4Å; L173-V177 WeakPolarHBondContact O-CG2 3.36Å; L173-V177 PolarHBondContact O-N 2.79Å; G174-V177 PolarHBondContact O-N 3.31Å; V177-S179 VanDerWaalsContact C-N 3.35Å; V177-S179 PolarHBondContact O-N 3.27Å; V177-W180 WeakPolarHBondContact O-CB 3.49Å; V177-W180 PolarHBondContact O-N 3.4Å; V177-L181 HydrophobicContact CG1-CD1 4Å; V177-L181 HydrophobicContact CG1-CG 4.45Å; V177-L181 WeakPolarHBondContact O-CG 3.47Å; V177-L181 PolarHBondContact O-N 2.78Å
178F98.1Very high97.1Very high153 Ų15346.7 Ų46.767%0.67128%0.276SS*.Hα-helixtrans-68.5-34.8-179.2-69.2-64.3000112.2G174 S182G174-F178 WeakPolarHBondContact O-CD2 3.45Å; G174-F178 PolarHBondContact O-N 3.31Å; F178-S182 WeakPolarHBondContact O-CB 3.33Å; F178-S182 PolarHBondContact O-N 2.89Å; F178-S182 VanDerWaalsContact O-N 3.08Å; F178-S182 PolarHBondContact O-OG 2.68Å
179S97.7Very high97Very high27 Ų2749 Ų4919%0.18928%0.279CS..Hα-helixtrans-61.4-44.8170.8-62.20000111.5A175 G176 V177 S182 L183A175-S179 WeakPolarHBondContact O-CB 3.26Å; A175-S179 PolarHBondContact O-N 2.89Å; A175-S179 VanDerWaalsContact O-N 3.11Å; A175-S179 PolarHBondContact O-OG 3.15Å; G176-S179 PolarHBondContact O-N 3.27Å; V177-S179 VanDerWaalsContact C-N 3.35Å; V177-S179 PolarHBondContact O-N 3.27Å; S179-S182 PolarHBondContact O-N 3.08Å; S179-S182 PolarHBondContact O-OG 3.08Å; S179-L183 WeakPolarHBondContact O-CG 3.38Å; S179-L183 PolarHBondContact O-N 2.72Å; S179-L183 VanDerWaalsContact O-N 3.07Å
180W98.2Very high97Very high14 Ų1449.6 Ų49.65%0.05328%0.281CS..Hα-helixtrans-61.1-53.6179.6171.229.7000112Y146 V150 F154 G176 V177 S182 L183 E184 P211 A212 A215 L234 Y237Y146-W180 AromaticContact CE1-CD1 3.85Å; V150-W180 HydrophobicContact CB-CB 4.43Å; V150-W180 HydrophobicContact CG1-CB 3.73Å; V150-W180 HydrophobicContact CG1-CG 4.3Å; V150-W180 HydrophobicContact CG2-CB 3.81Å; F154-W180 HydrophobicContact CZ-CE3 4.47Å; G176-W180 WeakPolarHBondContact O-CB 3.44Å; G176-W180 PolarHBondContact O-N 3.33Å; V177-W180 WeakPolarHBondContact O-CB 3.49Å; V177-W180 PolarHBondContact O-N 3.4Å; W180-S182 PolarHBondContact O-N 2.86Å; W180-L183 PolarHBondContact O-N 3.42Å; W180-E184 PolarHBondContact NE1-OE2 3.35Å; W180-E184 WeakPolarHBondContact O-CB 3.25Å; W180-E184 PolarHBondContact O-N 2.84Å; W180-P211 HydrophobicContact CD2-CB 3.6Å; W180-P211 HydrophobicContact CE3-CB 4.29Å; W180-P211 HydrophobicContact CG-CB 3.77Å; W180-P211 HydrophobicContact CZ2-CB 3.96Å; W180-A212 HydrophobicContact CH2-CB 3.63Å; W180-A212 HydrophobicContact CZ2-CB 4.08Å; W180-A212 HydrophobicContact CZ3-CB 4.45Å; W180-A215 HydrophobicContact CZ3-CB 4.43Å; W180-L234 HydrophobicContact CH2-CD2 4.31Å; W180-L234 HydrophobicContact CZ3-CD2 3.77Å; W180-Y237 AromaticContact CH2-CD1 3.99Å; W180-Y237 HydrophobicContact CH2-CD1 3.99Å; W180-Y237 HydrophobicContact CH2-CE1 4.31Å; W180-Y237 AromaticContact CZ2-CD1 3.79Å; W180-Y237 HydrophobicContact CZ2-CD1 3.79Å; W180-Y237 AromaticContact CZ2-CE1 3.66Å; W180-Y237 HydrophobicContact CZ2-CE1 3.66Å
181L97.3Very high96.8Very high100 Ų10048.7 Ų48.752%0.52428%0.277SS..Hα-helixtrans-62.7-27-179.3-65.1178.5000112.4V177 P185V177-L181 HydrophobicContact CG1-CD1 4Å; V177-L181 HydrophobicContact CG1-CG 4.45Å; V177-L181 WeakPolarHBondContact O-CG 3.47Å; V177-L181 PolarHBondContact O-N 2.78Å; L181-P185 WeakPolarHBondContact O-CD 3.35Å
182S96.3Very high96.6Very high78 Ų7851.2 Ų51.255%0.54527%0.274SS..Hα-helixtrans-74.9-34.5173.877.40000113.8F178 S179 W180F178-S182 WeakPolarHBondContact O-CB 3.33Å; F178-S182 PolarHBondContact O-N 2.89Å; F178-S182 VanDerWaalsContact O-N 3.08Å; F178-S182 PolarHBondContact O-OG 2.68Å; S179-S182 PolarHBondContact O-N 3.08Å; S179-S182 PolarHBondContact O-OG 3.08Å; W180-S182 PolarHBondContact O-N 2.86Å
183L96.1Very high96.3Very high30 Ų3053.5 Ų53.516%0.15729%0.294CS..Hα-helixtrans-88.6-32.7-176-72.5171.6000113.1Y146 V150 S179 W180 V186 I187Y146-L183 HydrophobicContact CD1-CB 4.16Å; Y146-L183 HydrophobicContact CD1-CD1 4.23Å; Y146-L183 HydrophobicContact CE1-CB 3.82Å; V150-L183 HydrophobicContact CG2-CD1 4.26Å; S179-L183 WeakPolarHBondContact O-CG 3.38Å; S179-L183 PolarHBondContact O-N 2.72Å; S179-L183 VanDerWaalsContact O-N 3.07Å; W180-L183 PolarHBondContact O-N 3.42Å; L183-V186 WeakPolarHBondContact O-CG2 3.43Å; L183-V186 PolarHBondContact O-N 2.87Å; L183-I187 HydrophobicContact CB-CD1 4.06Å; L183-I187 WeakPolarHBondContact O-CG1 3.17Å; L183-I187 PolarHBondContact O-N 2.91Å; L183-I187 VanDerWaalsContact O-N 3.09Å
184E96.4Very high96Very high13 Ų1354.5 Ų54.56%0.06130%0.302CS..Hα-helixtrans-55.4-46.3-175.3-176.696.1174.500113Y146 W180 V186 I187 L188 Q208 Y237 Q241Y146-E184 WeakPolarHBondContact OH-CA 3.41Å; Y146-E184 PolarHBondContact OH-OE2 3.41Å; W180-E184 PolarHBondContact NE1-OE2 3.35Å; W180-E184 WeakPolarHBondContact O-CB 3.25Å; W180-E184 PolarHBondContact O-N 2.84Å; E184-V186 PolarHBondContact O-N 3.46Å; E184-I187 PolarHBondContact O-N 3.37Å; E184-L188 HydrophobicContact CG-CD1 3.75Å; E184-L188 HydrophobicContact CG-CG 4.12Å; E184-L188 WeakPolarHBondContact O-CB 3.38Å; E184-L188 VanDerWaalsContact O-CG 3.26Å; E184-L188 WeakPolarHBondContact O-CG 3.39Å; E184-L188 PolarHBondContact O-N 3.17Å; E184-Q208 PolarHBondContact OE1-NE2 3.05Å; E184-Q208 PolarHBondContact OE2-NE2 3.29Å; E184-Q208 VanDerWaalsContact OE2-NE2 3.07Å; E184-Y237 PolarHBondContact OE1-OH 3.35Å; E184-Q241 PolarHBondContact OE1-NE2 3.02Å
185P96.5Very high95.6Very high75 Ų7555.7 Ų55.749%0.48731%0.314SS..Hα-helixtrans-61.3-43.1-177.9-24.535.5000113.4L181 Q189L181-P185 WeakPolarHBondContact O-CD 3.35Å; P185-Q189 VanDerWaalsContact O-CB 3.26Å; P185-Q189 WeakPolarHBondContact O-CB 3.35Å; P185-Q189 PolarHBondContact O-N 3.31Å
186V94.7Very high95.2Very high81 Ų8159.6 Ų59.649%0.49133%0.326SS..Hα-helixtrans-72.7-36.4-178.5-650000111.8L183 E184 Q189 R190L183-V186 WeakPolarHBondContact O-CG2 3.43Å; L183-V186 PolarHBondContact O-N 2.87Å; E184-V186 PolarHBondContact O-N 3.46Å; V186-Q189 PolarHBondContact O-N 3.12Å; V186-R190 PolarHBondContact O-N 2.92Å
187I95.7Very high94.8Very high0 Ų059.9 Ų59.90%033%0.327CS..Hα-helixtrans-64.6-51.7173.8-71.6165.1000109.6T141 P143 L145 Y146 L183 E184 Q189 R190 L191T141-I187 HydrophobicContact CG2-CG1 4.02Å; P143-I187 HydrophobicContact CG-CG2 3.91Å; L145-I187 HydrophobicContact CB-CD1 4.32Å; Y146-I187 HydrophobicContact CD1-CD1 4.02Å; Y146-I187 HydrophobicContact CD2-CD1 4.49Å; Y146-I187 HydrophobicContact CE1-CD1 3.41Å; Y146-I187 VanDerWaalsContact CE1-CD1 3.41Å; Y146-I187 HydrophobicContact CE2-CD1 3.95Å; Y146-I187 WeakPolarHBondContact OH-CD1 3.31Å; L183-I187 HydrophobicContact CB-CD1 4.06Å; L183-I187 WeakPolarHBondContact O-CG1 3.17Å; L183-I187 PolarHBondContact O-N 2.91Å; L183-I187 VanDerWaalsContact O-N 3.09Å; E184-I187 PolarHBondContact O-N 3.37Å; I187-Q189 VanDerWaalsContact C-N 3.26Å; I187-Q189 PolarHBondContact O-N 2.97Å; I187-R190 PolarHBondContact O-N 3.24Å; I187-L191 HydrophobicContact CG2-CD1 4.14Å; I187-L191 HydrophobicContact CG2-CG 4.38Å; I187-L191 VanDerWaalsContact O-CG 3.29Å; I187-L191 WeakPolarHBondContact O-CG 3.39Å; I187-L191 PolarHBondContact O-N 3.44Å
188L95.2Very high94.3Very high44 Ų4461.8 Ų61.823%0.2334%0.34CS..Hα-helixtrans-62.3-34.2179-66.7-179000112.3E184 L191 R192E184-L188 HydrophobicContact CG-CD1 3.75Å; E184-L188 HydrophobicContact CG-CG 4.12Å; E184-L188 WeakPolarHBondContact O-CB 3.38Å; E184-L188 VanDerWaalsContact O-CG 3.26Å; E184-L188 WeakPolarHBondContact O-CG 3.39Å; E184-L188 PolarHBondContact O-N 3.17Å; L188-L191 HydrophobicContact CD2-CD1 4.48Å; L188-L191 PolarHBondContact O-N 3.42Å; L188-R192 WeakPolarHBondContact O-CG 3.42Å; L188-R192 PolarHBondContact O-N 3.44Å; L188-R192 VanDerWaalsContact O-N 3.13Å
189Q95.7Very high93.8Very high92 Ų9257.6 Ų57.643%0.4333%0.327SS..Hα-helixtrans-63.7-48.5173.9-179.257.719.300111.7P185 V186 I187 L191 R192 S193P185-Q189 VanDerWaalsContact O-CB 3.26Å; P185-Q189 WeakPolarHBondContact O-CB 3.35Å; P185-Q189 PolarHBondContact O-N 3.31Å; V186-Q189 PolarHBondContact O-N 3.12Å; I187-Q189 VanDerWaalsContact C-N 3.26Å; I187-Q189 PolarHBondContact O-N 2.97Å; Q189-L191 VanDerWaalsContact C-N 3.29Å; Q189-L191 PolarHBondContact O-N 2.84Å; Q189-R192 PolarHBondContact O-N 3.05Å; Q189-R192 VanDerWaalsContact O-N 3.17Å; Q189-S193 PolarHBondContact NE2-OG 3.04Å; Q189-S193 WeakPolarHBondContact O-CB 3.36Å; Q189-S193 PolarHBondContact O-N 3.12Å
190R94Very high93.1Very high12 Ų1259.6 Ų59.65%0.04535%0.346CS..Hα-helixtrans-55.7-46.7174.3-177.5-80.4174.3-132.4-4.1110.9T141 V186 I187 R192 S193 S194 G195 L197T141-R190 HydrophobicContact CG2-CB 4.24Å; T141-R190 WeakPolarHBondContact O-CD 3.32Å; T141-R190 WeakPolarHBondContact O-CG 3.23Å; V186-R190 PolarHBondContact O-N 2.92Å; I187-R190 PolarHBondContact O-N 3.24Å; R190-R192 PolarHBondContact O-N 3.16Å; R190-S193 PolarHBondContact O-N 3.22Å; R190-S194 PolarHBondContact O-N 3.42Å; R190-G195 PolarHBondContact NH1-O 3.05Å; R190-L197 VanDerWaalsContact NH2-CD2 3.29Å
191L92.9Very high92.5Very high52 Ų5261.1 Ų61.127%0.27235%0.354SS..Hα-helixtrans-63.1-28.1-177.6-66-176.1000112.9P143 I187 L188 Q189 L197 L205P143-L191 HydrophobicContact CG-CD1 4.48Å; I187-L191 HydrophobicContact CG2-CD1 4.14Å; I187-L191 HydrophobicContact CG2-CG 4.38Å; I187-L191 VanDerWaalsContact O-CG 3.29Å; I187-L191 WeakPolarHBondContact O-CG 3.39Å; I187-L191 PolarHBondContact O-N 3.44Å; L188-L191 HydrophobicContact CD2-CD1 4.48Å; L188-L191 PolarHBondContact O-N 3.42Å; Q189-L191 VanDerWaalsContact C-N 3.29Å; Q189-L191 PolarHBondContact O-N 2.84Å; L191-L197 HydrophobicContact CD2-CD1 3.87Å; L191-L197 HydrophobicContact CD2-CG 4.48Å; L191-L205 HydrophobicContact CD1-CD2 3.88Å; L191-L205 HydrophobicContact CD2-CD1 4.45Å; L191-L205 HydrophobicContact CD2-CD2 3.55Å; L191-L205 HydrophobicContact CG-CD2 4.38Å
192R93.9Very high92.2Very high161 Ų16157.7 Ų57.761%0.60834%0.335SS*.Hα-helixtrans-87.8-33.5176.7-70.7-174.1-57.5-97.5-4.8113.9L188 Q189 R190L188-R192 WeakPolarHBondContact O-CG 3.42Å; L188-R192 PolarHBondContact O-N 3.44Å; L188-R192 VanDerWaalsContact O-N 3.13Å; Q189-R192 PolarHBondContact O-N 3.05Å; Q189-R192 VanDerWaalsContact O-N 3.17Å; R190-R192 PolarHBondContact O-N 3.16Å
193S93.7Very high91.7Very high76 Ų7654 Ų5453%0.53131%0.309SS..Hα-helixtrans-127.3-15.2-159.5-60.20000116.3Q189 R190Q189-S193 PolarHBondContact NE2-OG 3.04Å; Q189-S193 WeakPolarHBondContact O-CB 3.36Å; Q189-S193 PolarHBondContact O-N 3.12Å; R190-S193 PolarHBondContact O-N 3.22Å
194S90.4Very high91.2Very high34 Ų3452.6 Ų52.624%0.23830%0.301CS..SBendtrans-104.334.7-174.5-45.60000112.8E138 R190E138-S194 WeakPolarHBondContact OE1-CB 3.26Å; E138-S194 PolarHBondContact OE1-OG 3.49Å; R190-S194 PolarHBondContact O-N 3.42Å
195G89.5Confident90.9Very high49 Ų4952.6 Ų52.651%0.50530%0.302SS..  trans77.3164.4179.300000115.1R190R190-G195 PolarHBondContact NH1-O 3.05Å
196E91Very high90.6Very high124 Ų12449 Ų4958%0.57928%0.279SS*.PPolyproline II helixtrans-62.5141-179.8-166.7177.9179.400111.2R202 W251E196-R202 VanDerWaalsContact CD-NH2 3.3Å; E196-R202 IonicContact OE1-CZ 3.12Å; E196-R202 IonicContact OE1-NE 3.7Å; E196-R202 IonicContact OE1-NH1 3.65Å; E196-R202 IonicContact OE1-NH2 2.66Å; E196-R202 PolarHBondContact OE1-NH2 2.89Å; E196-R202 IonicContact OE2-NH2 3.83Å; E196-W251 HydrophobicContact CG-CZ2 3.76Å; E196-W251 PolarHBondContact OE1-NE1 3.13Å
197L90.1Very high90.5Very high5 Ų545.6 Ų45.63%0.02626%0.257CS..PPolyproline II helixtrans-65.7137.9173.6-81.7168.9000110.6T142 R190 L191 T199 L201 R202 L205 W251T142-L197 HydrophobicContact CG2-CD2 4.02Å; R190-L197 VanDerWaalsContact NH2-CD2 3.29Å; L191-L197 HydrophobicContact CD2-CD1 3.87Å; L191-L197 HydrophobicContact CD2-CG 4.48Å; L197-T199 PolarHBondContact O-N 2.92Å; L197-L201 HydrophobicContact CD2-CB 4.25Å; L197-L201 HydrophobicContact CD2-CD1 4.47Å; L197-R202 HydrophobicContact CB-CG 4.23Å; L197-R202 PolarHBondContact O-NE 2.97Å; L197-L205 HydrophobicContact CD1-CD1 4.05Å; L197-L205 HydrophobicContact CD1-CD2 3.49Å; L197-L205 VanDerWaalsContact CD1-CD2 3.49Å; L197-L205 HydrophobicContact CD1-CG 3.76Å; L197-W251 HydrophobicContact CB-CH2 4.36Å
198P87.8Confident90.4Very high77 Ų7746.6 Ų46.650%0.526%0.262SS..PPolyproline II helixtrans-50.4140.9167.8-25.333.4000110.4A200 L201 R202P198-A200 VanDerWaalsContact C-N 3.26Å; P198-A200 PolarHBondContact O-N 3.44Å; P198-A200 VanDerWaalsContact O-N 3.12Å; P198-L201 HydrophobicContact CG-CD1 4.39Å; P198-L201 PolarHBondContact O-N 2.89Å; P198-R202 PolarHBondContact O-N 3.11Å
199T88Confident90.3Very high66 Ų6644.6 Ų44.641%0.40525%0.251SS..Hα-helixtrans-46.1-50.5-174.3-53.80000111.9L197 L201 R202 Q255L197-T199 PolarHBondContact O-N 2.92Å; T199-L201 PolarHBondContact O-N 3.39Å; T199-R202 WeakPolarHBondContact O-CB 3.26Å; T199-R202 WeakPolarHBondContact O-CG 3.14Å; T199-R202 PolarHBondContact O-N 3.22Å; T199-Q255 VanDerWaalsContact C-OE1 3.28Å; T199-Q255 HydrophobicContact CG2-CB 3.57Å; T199-Q255 HydrophobicContact CG2-CG 4.44Å; T199-Q255 PolarHBondContact O-OE1 3.49Å
200A82.1Confident90.1Very high69 Ų6940.5 Ų40.557%0.5723%0.233SC*.Hα-helixtrans-57.5-21.5-179.700000115.8P198P198-A200 VanDerWaalsContact C-N 3.26Å; P198-A200 PolarHBondContact O-N 3.44Å; P198-A200 VanDerWaalsContact O-N 3.12Å
201L85.8Confident90.2Very high45 Ų4540.1 Ų40.124%0.23623%0.232CC..Hα-helixtrans-99.2-12179.4-64-178.8000113.3V82 L197 P198 T199 T203 S204V82-L201 HydrophobicContact CG1-CD2 4.03Å; L197-L201 HydrophobicContact CD2-CB 4.25Å; L197-L201 HydrophobicContact CD2-CD1 4.47Å; P198-L201 HydrophobicContact CG-CD1 4.39Å; P198-L201 PolarHBondContact O-N 2.89Å; T199-L201 PolarHBondContact O-N 3.39Å; L201-T203 VanDerWaalsContact C-N 3.28Å; L201-T203 PolarHBondContact O-N 3.48Å; L201-S204 VanDerWaalsContact O-CB 3.29Å; L201-S204 WeakPolarHBondContact O-CB 3.33Å; L201-S204 PolarHBondContact O-N 3.46Å; L201-S204 PolarHBondContact O-OG 3.46Å
202R91Very high90.3Very high29 Ų2937.7 Ų37.711%0.10922%0.22CC..Hα-helixtrans-59-39.9-174.9-62.9-179.8-177.8-178.9-0.1112.6E196 L197 P198 T199 S204 L205 W251 Y252 S254E196-R202 VanDerWaalsContact CD-NH2 3.3Å; E196-R202 IonicContact OE1-CZ 3.12Å; E196-R202 IonicContact OE1-NE 3.7Å; E196-R202 IonicContact OE1-NH1 3.65Å; E196-R202 IonicContact OE1-NH2 2.66Å; E196-R202 PolarHBondContact OE1-NH2 2.89Å; E196-R202 IonicContact OE2-NH2 3.83Å; L197-R202 HydrophobicContact CB-CG 4.23Å; L197-R202 PolarHBondContact O-NE 2.97Å; P198-R202 PolarHBondContact O-N 3.11Å; T199-R202 WeakPolarHBondContact O-CB 3.26Å; T199-R202 WeakPolarHBondContact O-CG 3.14Å; T199-R202 PolarHBondContact O-N 3.22Å; R202-S204 PolarHBondContact O-N 2.91Å; R202-L205 VanDerWaalsContact O-CB 3.29Å; R202-L205 WeakPolarHBondContact O-CB 3.49Å; R202-L205 WeakPolarHBondContact O-CG 3.15Å; R202-L205 PolarHBondContact O-N 3.31Å; R202-L205 VanDerWaalsContact O-N 3.12Å; R202-W251 HydrophobicContact CB-CE3 4.44Å; R202-W251 HydrophobicContact CB-CH2 3.86Å; R202-W251 HydrophobicContact CB-CZ2 4.38Å; R202-W251 HydrophobicContact CB-CZ3 3.88Å; R202-W251 HydrophobicContact CG-CH2 3.44Å; R202-W251 VanDerWaalsContact CG-CH2 3.44Å; R202-W251 HydrophobicContact CG-CZ2 3.58Å; R202-W251 HydrophobicContact CG-CZ3 3.97Å; R202-Y252 HydrophobicContact CB-CD1 4.42Å; R202-Y252 WeakPolarHBondContact O-CE1 3.22Å; R202-S254 PolarHBondContact NH1-OG 2.72Å
203T85.6Confident90.2Very high0 Ų030 Ų300%019%0.191CC..G310 helixtrans-67.7-22.8178.542.60000112.7L201 L205 G206 S260 F261 S263 F264L201-T203 VanDerWaalsContact C-N 3.28Å; L201-T203 PolarHBondContact O-N 3.48Å; T203-L205 PolarHBondContact O-N 3.39Å; T203-L205 VanDerWaalsContact O-N 3.13Å; T203-G206 PolarHBondContact O-N 2.87Å; T203-S260 WeakPolarHBondContact OG1-CB 3.41Å; T203-F261 HydrophobicContact CG2-CD1 3.93Å; T203-F261 HydrophobicContact CG2-CD2 3.48Å; T203-F261 VanDerWaalsContact CG2-CD2 3.48Å; T203-F261 HydrophobicContact CG2-CE1 3.77Å; T203-F261 HydrophobicContact CG2-CE2 3.32Å; T203-F261 HydrophobicContact CG2-CG 3.81Å; T203-F261 HydrophobicContact CG2-CZ 3.48Å; T203-F261 VanDerWaalsContact CG2-CZ 3.48Å; T203-S263 PolarHBondContact O-OG 2.93Å; T203-F264 HydrophobicContact CG2-CE2 4.12Å
204S85.5Confident90.2Very high1 Ų126.5 Ų26.51%0.00717%0.167CC..G310 helixtrans-63.5-15.9172.676.60000113.5L201 R202 G206 I207L201-S204 VanDerWaalsContact O-CB 3.29Å; L201-S204 WeakPolarHBondContact O-CB 3.33Å; L201-S204 PolarHBondContact O-N 3.46Å; L201-S204 PolarHBondContact O-OG 3.46Å; R202-S204 PolarHBondContact O-N 2.91Å; S204-G206 PolarHBondContact O-N 2.92Å; S204-G206 VanDerWaalsContact O-N 3.15Å; S204-I207 WeakPolarHBondContact O-CB 3.27Å; S204-I207 VanDerWaalsContact O-CG1 3.29Å; S204-I207 WeakPolarHBondContact O-CG1 3.26Å; S204-I207 PolarHBondContact O-N 2.95Å; S204-I207 VanDerWaalsContact O-N 3.1Å
205L90.9Very high90.5Very high13 Ų1324.9 Ų24.97%0.06816%0.155CC..G310 helixtrans-62.6-14.6169.2-63.7-165.5000113P143 L191 L197 R202 T203 I207 Q208 W251 Y252P143-L205 HydrophobicContact CG-CD2 3.6Å; L191-L205 HydrophobicContact CD1-CD2 3.88Å; L191-L205 HydrophobicContact CD2-CD1 4.45Å; L191-L205 HydrophobicContact CD2-CD2 3.55Å; L191-L205 HydrophobicContact CG-CD2 4.38Å; L197-L205 HydrophobicContact CD1-CD1 4.05Å; L197-L205 HydrophobicContact CD1-CD2 3.49Å; L197-L205 VanDerWaalsContact CD1-CD2 3.49Å; L197-L205 HydrophobicContact CD1-CG 3.76Å; R202-L205 VanDerWaalsContact O-CB 3.29Å; R202-L205 WeakPolarHBondContact O-CB 3.49Å; R202-L205 WeakPolarHBondContact O-CG 3.15Å; R202-L205 PolarHBondContact O-N 3.31Å; R202-L205 VanDerWaalsContact O-N 3.12Å; T203-L205 PolarHBondContact O-N 3.39Å; T203-L205 VanDerWaalsContact O-N 3.13Å; L205-I207 PolarHBondContact O-N 2.97Å; L205-Q208 WeakPolarHBondContact O-CB 3.46Å; L205-Q208 PolarHBondContact O-N 3.4Å; L205-W251 HydrophobicContact CD1-CH2 4.2Å; L205-W251 HydrophobicContact CD1-CZ3 3.71Å; L205-Y252 HydrophobicContact CB-CE1 3.84Å; L205-Y252 HydrophobicContact CD1-CE1 3.99Å; L205-Y252 HydrophobicContact CG-CE1 4.3Å
206G88.7Confident90.7Very high0 Ų022.7 Ų22.70%013%0.132CC..G310 helixtrans-57.4-27170.100000114T203 S204 Q208 L209 S263T203-G206 PolarHBondContact O-N 2.87Å; S204-G206 PolarHBondContact O-N 2.92Å; S204-G206 VanDerWaalsContact O-N 3.15Å; G206-Q208 PolarHBondContact O-N 3.48Å; G206-L209 PolarHBondContact O-N 3.08Å; G206-S263 CarbonylContact C-O 3.42Å
207I93.3Very high90.6Very high8 Ų817 Ų174%0.04111%0.106CC..G310 helixtrans-63.8-26.8173.8-50.7173.7000110.8F86 P143 Y146 L147 S204 L205 L209 A210 P211F86-I207 HydrophobicContact CE1-CD1 4.16Å; F86-I207 HydrophobicContact CZ-CD1 4.08Å; P143-I207 HydrophobicContact CB-CB 3.89Å; P143-I207 HydrophobicContact CB-CG2 4.41Å; P143-I207 WeakPolarHBondContact O-CG2 3.42Å; Y146-I207 HydrophobicContact CD2-CG2 4.12Å; L147-I207 HydrophobicContact CD1-CD1 3.98Å; L147-I207 HydrophobicContact CD2-CD1 4.25Å; L147-I207 HydrophobicContact CD2-CG2 4.07Å; L147-I207 HydrophobicContact CG-CD1 4.14Å; S204-I207 WeakPolarHBondContact O-CB 3.27Å; S204-I207 VanDerWaalsContact O-CG1 3.29Å; S204-I207 WeakPolarHBondContact O-CG1 3.26Å; S204-I207 PolarHBondContact O-N 2.95Å; S204-I207 VanDerWaalsContact O-N 3.1Å; L205-I207 PolarHBondContact O-N 2.97Å; I207-L209 PolarHBondContact O-N 3.49Å; I207-L209 VanDerWaalsContact O-N 3.15Å; I207-A210 VanDerWaalsContact O-CB 3.31Å; I207-A210 WeakPolarHBondContact O-CB 3.44Å; I207-A210 PolarHBondContact O-N 2.88Å; I207-P211 WeakPolarHBondContact O-CD 2.97Å
208Q94.5Very high90.7Very high22 Ų2216.7 Ų16.710%0.10310%0.104CC..G310 helixtrans-61.7-24.2-179.3-169.161.534.300113.4P143 Y146 E184 L205 G206 A210 Q241P143-Q208 HydrophobicContact CG-CB 4.31Å; Y146-Q208 VanDerWaalsContact CE2-OE1 3.27Å; Y146-Q208 PolarHBondContact OH-OE1 3.36Å; E184-Q208 PolarHBondContact OE1-NE2 3.05Å; E184-Q208 PolarHBondContact OE2-NE2 3.29Å; E184-Q208 VanDerWaalsContact OE2-NE2 3.07Å; L205-Q208 WeakPolarHBondContact O-CB 3.46Å; L205-Q208 PolarHBondContact O-N 3.4Å; G206-Q208 PolarHBondContact O-N 3.48Å; Q208-A210 VanDerWaalsContact C-N 3.34Å; Q208-Q241 VanDerWaalsContact NE2-NE2 3.17Å
209L91.3Very high91Very high1 Ų115.1 Ų15.11%0.0059%0.088CC..G310 helixtrans-74-26.2174.7179.760.7000112.4G206 I207 L213 Q241 L242 M245 V268G206-L209 PolarHBondContact O-N 3.08Å; I207-L209 PolarHBondContact O-N 3.49Å; I207-L209 VanDerWaalsContact O-N 3.15Å; L209-L213 HydrophobicContact CD1-CD1 3.73Å; L209-L213 HydrophobicContact CG-CD1 3.95Å; L209-Q241 HydrophobicContact CD1-CB 4.17Å; L209-L242 HydrophobicContact CD1-CB 3.81Å; L209-L242 HydrophobicContact CD1-CD1 4.35Å; L209-L242 HydrophobicContact CD2-CD1 4.02Å; L209-M245 HydrophobicContact CB-SD 3.84Å; L209-M245 HydrophobicContact CD2-CE 4Å; L209-M245 HydrophobicContact CD2-SD 3.84Å; L209-M245 HydrophobicContact CG-SD 4.4Å; L209-V268 HydrophobicContact CD2-CG2 4.1Å
210A91.9Very high90.8Very high6 Ų612.2 Ų12.25%0.057%0.07CC..Hα-helixtrans-71-46.4-16800000114.8I207 Q208 A212 L213 V214 F266I207-A210 VanDerWaalsContact O-CB 3.31Å; I207-A210 WeakPolarHBondContact O-CB 3.44Å; I207-A210 PolarHBondContact O-N 2.88Å; Q208-A210 VanDerWaalsContact C-N 3.34Å; A210-A212 PolarHBondContact O-N 2.68Å; A210-L213 PolarHBondContact O-N 2.73Å; A210-V214 HydrophobicContact CB-CG2 4.03Å; A210-V214 VanDerWaalsContact O-CB 3.28Å; A210-V214 WeakPolarHBondContact O-CB 3.32Å; A210-V214 WeakPolarHBondContact O-CG2 3.15Å; A210-V214 PolarHBondContact O-N 3Å; A210-F266 HydrophobicContact CB-CB 4.43Å; A210-F266 HydrophobicContact CB-CD1 4Å
211P96.4Very high91Very high4 Ų410.8 Ų10.83%0.0266%0.056CC..Hα-helixtrans-51-52.4-167.4-31.534.4000114.9Y146 V150 F154 W180 I207 A215Y146-P211 HydrophobicContact CD1-CG 4.45Å; Y146-P211 HydrophobicContact CD2-CG 3.75Å; Y146-P211 HydrophobicContact CE2-CG 3.94Å; Y146-P211 HydrophobicContact CG-CG 4.04Å; V150-P211 HydrophobicContact CG1-CB 4.3Å; F154-P211 WeakPolarHBondContact CE2-O 3.22Å; W180-P211 HydrophobicContact CD2-CB 3.6Å; W180-P211 HydrophobicContact CE3-CB 4.29Å; W180-P211 HydrophobicContact CG-CB 3.77Å; W180-P211 HydrophobicContact CZ2-CB 3.96Å; I207-P211 WeakPolarHBondContact O-CD 2.97Å; P211-A215 WeakPolarHBondContact O-CB 3.38Å; P211-A215 PolarHBondContact O-N 3.31Å
212A95.5Very high90.9Very high2 Ų29 Ų92%0.0175%0.047CC..Hα-helixtrans-66-44.8-176.200000112.5W180 A210 C216 L234 Y237W180-A212 HydrophobicContact CH2-CB 3.63Å; W180-A212 HydrophobicContact CZ2-CB 4.08Å; W180-A212 HydrophobicContact CZ3-CB 4.45Å; A210-A212 PolarHBondContact O-N 2.68Å; A212-C216 WeakPolarHBondContact O-CB 3.09Å; A212-C216 PolarHBondContact O-N 2.9Å; A212-L234 WeakPolarHBondContact CB-O 3.41Å; A212-Y237 HydrophobicContact CB-CD1 3.75Å
213L91.4Very high90.4Very high0 Ų09.2 Ų9.20%05%0.05CC..Hα-helixtrans-73.1-38.3-176.3-65170.9000111.6L209 A210 C216 S217 F235 G267 A270 L271 T274L209-L213 HydrophobicContact CD1-CD1 3.73Å; L209-L213 HydrophobicContact CG-CD1 3.95Å; A210-L213 PolarHBondContact O-N 2.73Å; L213-C216 WeakPolarHBondContact O-CB 3.26Å; L213-C216 PolarHBondContact O-N 3.26Å; L213-S217 PolarHBondContact O-N 2.83Å; L213-F235 HydrophobicContact CD2-CD2 4.12Å; L213-G267 VanDerWaalsContact CD1-O 3.28Å; L213-G267 WeakPolarHBondContact CD1-O 3.46Å; L213-A270 HydrophobicContact CB-CB 3.78Å; L213-L271 HydrophobicContact CD1-CB 3.82Å; L213-L271 HydrophobicContact CD1-CD1 4.05Å; L213-L271 HydrophobicContact CD1-CG 4.49Å; L213-L271 HydrophobicContact CD2-CD1 3.73Å; L213-T274 VanDerWaalsContact O-CG2 3.3Å; L213-T274 WeakPolarHBondContact O-CG2 3.33Å
214V94.4Very high89.6Confident2 Ų211.1 Ų11.11%0.0127%0.07CC..Hα-helixtrans-72.8-37.2176.9-179.10000110.7F154 M158 A210 C216 S217 A218 F266 A270F154-V214 HydrophobicContact CB-CG1 3.64Å; F154-V214 HydrophobicContact CD2-CB 4.23Å; F154-V214 HydrophobicContact CD2-CG1 3.98Å; F154-V214 HydrophobicContact CG-CG1 4.26Å; M158-V214 HydrophobicContact CE-CG1 3.88Å; A210-V214 HydrophobicContact CB-CG2 4.03Å; A210-V214 VanDerWaalsContact O-CB 3.28Å; A210-V214 WeakPolarHBondContact O-CB 3.32Å; A210-V214 WeakPolarHBondContact O-CG2 3.15Å; A210-V214 PolarHBondContact O-N 3Å; V214-C216 VanDerWaalsContact C-N 3.28Å; V214-C216 PolarHBondContact O-N 3.02Å; V214-S217 PolarHBondContact O-N 3.16Å; V214-A218 VanDerWaalsContact O-CB 3.28Å; V214-A218 WeakPolarHBondContact O-CB 3.46Å; V214-A218 PolarHBondContact O-N 3.46Å; V214-F266 HydrophobicContact CB-CE1 4.12Å; V214-F266 HydrophobicContact CB-CZ 4.28Å; V214-F266 HydrophobicContact CG1-CE1 3.64Å; V214-F266 HydrophobicContact CG1-CE2 4.5Å; V214-F266 HydrophobicContact CG1-CZ 3.54Å; V214-F266 HydrophobicContact CG2-CD1 3.59Å; V214-F266 HydrophobicContact CG2-CD2 4.28Å; V214-F266 HydrophobicContact CG2-CE1 3.36Å; V214-F266 HydrophobicContact CG2-CE2 4.09Å; V214-F266 HydrophobicContact CG2-CG 4.05Å; V214-F266 HydrophobicContact CG2-CZ 3.62Å; V214-A270 HydrophobicContact CG2-CB 3.77Å
215A96.8Very high88.9Confident0 Ų011.3 Ų11.30%07%0.072CC..Hα-helixtrans-59.7-40.9169.700000111.3F154 W180 P211 A218 W219 L234F154-A215 HydrophobicContact CD1-CB 4.42Å; F154-A215 HydrophobicContact CD2-CB 4.21Å; F154-A215 HydrophobicContact CE1-CB 3.88Å; F154-A215 HydrophobicContact CE2-CB 3.62Å; F154-A215 HydrophobicContact CZ-CB 3.46Å; F154-A215 VanDerWaalsContact CZ-CB 3.46Å; W180-A215 HydrophobicContact CZ3-CB 4.43Å; P211-A215 WeakPolarHBondContact O-CB 3.38Å; P211-A215 PolarHBondContact O-N 3.31Å; A215-A218 PolarHBondContact O-N 2.86Å; A215-W219 WeakPolarHBondContact O-CB 3.37Å; A215-W219 PolarHBondContact O-N 3.32Å; A215-L234 HydrophobicContact CB-CD1 4.13Å; A215-L234 HydrophobicContact CB-CD2 4.02Å
216C92.1Very high87.8Confident2 Ų213.6 Ų13.61%0.0148%0.082CC..Hα-helixtrans-63.7-48.9177.1-170.30000111.2A212 L213 V214 A218 W219 L220 A231 L234 T274A212-C216 WeakPolarHBondContact O-CB 3.09Å; A212-C216 PolarHBondContact O-N 2.9Å; L213-C216 WeakPolarHBondContact O-CB 3.26Å; L213-C216 PolarHBondContact O-N 3.26Å; V214-C216 VanDerWaalsContact C-N 3.28Å; V214-C216 PolarHBondContact O-N 3.02Å; C216-A218 VanDerWaalsContact C-N 3.33Å; C216-A218 PolarHBondContact O-N 3.12Å; C216-W219 WeakPolarHBondContact O-CB 3.32Å; C216-W219 PolarHBondContact O-N 3.24Å; C216-L220 WeakPolarHBondContact O-CB 3.47Å; C216-L220 WeakPolarHBondContact O-CD1 3.35Å; C216-L220 VanDerWaalsContact O-CG 3.26Å; C216-L220 WeakPolarHBondContact O-CG 3.42Å; C216-L220 PolarHBondContact O-N 3.48Å; C216-L220 VanDerWaalsContact SG-CD1 3.59Å; C216-A231 PolarHBondContact SG-O 3.43Å; C216-L234 HydrophobicContact CB-CB 3.77Å; C216-L234 HydrophobicContact CB-CD1 4.27Å; C216-T274 HydrophobicContact CB-CG2 3.59Å
217S88.7Confident87Confident4 Ų415 Ų153%0.02810%0.096CC..Hα-helixtrans-61-39.5174-70.80000113L213 V214 L220 S221 T274L213-S217 PolarHBondContact O-N 2.83Å; V214-S217 PolarHBondContact O-N 3.16Å; S217-L220 PolarHBondContact O-N 3.31Å; S217-S221 WeakPolarHBondContact O-CB 3.49Å; S217-S221 PolarHBondContact O-N 2.87Å; S217-S221 PolarHBondContact O-OG 3.43Å; S217-T274 VanDerWaalsContact OG-CG2 3.3Å; S217-T274 WeakPolarHBondContact OG-CG2 3.36Å
218A94.1Very high86.3Confident0 Ų016.8 Ų16.80%011%0.106CC..Hα-helixtrans-64-43.2175.700000112.2F154 A157 M158 L173 V214 A215 C216 S221 V222F154-A218 HydrophobicContact CB-CB 3.94Å; F154-A218 HydrophobicContact CD1-CB 4.28Å; F154-A218 HydrophobicContact CG-CB 4.37Å; A157-A218 HydrophobicContact CB-CB 4.08Å; M158-A218 HydrophobicContact CG-CB 3.91Å; L173-A218 HydrophobicContact CD1-CB 3.79Å; V214-A218 VanDerWaalsContact O-CB 3.28Å; V214-A218 WeakPolarHBondContact O-CB 3.46Å; V214-A218 PolarHBondContact O-N 3.46Å; A215-A218 PolarHBondContact O-N 2.86Å; C216-A218 VanDerWaalsContact C-N 3.33Å; C216-A218 PolarHBondContact O-N 3.12Å; A218-S221 WeakPolarHBondContact O-CB 3.49Å; A218-S221 PolarHBondContact O-N 2.88Å; A218-V222 WeakPolarHBondContact O-CG2 3.29Å; A218-V222 PolarHBondContact O-N 2.98Å
219W93.7Very high85.8Confident44 Ų4420.7 Ų20.717%0.16713%0.131CC..Hα-helixtrans-60.8-48.6174.1174.6-121.4000111.7L170 L173 A215 C216 S221 V222 N223 D228 L230 L234L170-W219 HydrophobicContact CD2-CE3 4.32Å; L170-W219 HydrophobicContact CD2-CZ3 3.74Å; L173-W219 HydrophobicContact CD2-CB 4.28Å; L173-W219 HydrophobicContact CD2-CD2 4.36Å; L173-W219 HydrophobicContact CD2-CE3 3.44Å; L173-W219 VanDerWaalsContact CD2-CE3 3.44Å; L173-W219 HydrophobicContact CD2-CZ3 4.15Å; A215-W219 WeakPolarHBondContact O-CB 3.37Å; A215-W219 PolarHBondContact O-N 3.32Å; C216-W219 WeakPolarHBondContact O-CB 3.32Å; C216-W219 PolarHBondContact O-N 3.24Å; W219-S221 PolarHBondContact O-N 3.26Å; W219-V222 HydrophobicContact CE3-CG2 4.16Å; W219-V222 WeakPolarHBondContact O-CG2 3.36Å; W219-V222 PolarHBondContact O-N 3.02Å; W219-N223 HydrophobicContact CD2-CB 4.04Å; W219-N223 VanDerWaalsContact CE2-ND2 3.28Å; W219-N223 HydrophobicContact CE3-CB 4.2Å; W219-N223 HydrophobicContact CH2-CB 4.09Å; W219-N223 HydrophobicContact CZ2-CB 3.87Å; W219-N223 HydrophobicContact CZ3-CB 4.25Å; W219-N223 PolarHBondContact NE1-ND2 2.81Å; W219-N223 WeakPolarHBondContact O-CB 3.49Å; W219-N223 VanDerWaalsContact O-CG 3.32Å; W219-N223 PolarHBondContact O-N 3.15Å; W219-N223 PolarHBondContact O-OD1 3.31Å; W219-D228 WeakPolarHBondContact CZ2-OD2 3.38Å; W219-D228 PolarHBondContact NE1-OD1 3.36Å; W219-D228 PolarHBondContact NE1-OD2 2.82Å; W219-L230 HydrophobicContact CD2-CD2 3.84Å; W219-L230 HydrophobicContact CE3-CD2 4.23Å; W219-L230 HydrophobicContact CG-CD2 4.22Å; W219-L230 HydrophobicContact CH2-CD2 4.45Å; W219-L230 HydrophobicContact CZ2-CD2 4.11Å; W219-L230 HydrophobicContact CZ3-CD2 4.5Å; W219-L234 HydrophobicContact CB-CD1 4.49Å
220L83.8Confident85.7Confident5 Ų524.2 Ų24.23%0.02615%0.15CC..Hα-helixtrans-64.7-28.8179.5-69.2162.4000112.4C216 S217 V222 N223 G225 E226 A231 E277C216-L220 WeakPolarHBondContact O-CB 3.47Å; C216-L220 WeakPolarHBondContact O-CD1 3.35Å; C216-L220 VanDerWaalsContact O-CG 3.26Å; C216-L220 WeakPolarHBondContact O-CG 3.42Å; C216-L220 PolarHBondContact O-N 3.48Å; C216-L220 VanDerWaalsContact SG-CD1 3.59Å; S217-L220 PolarHBondContact O-N 3.31Å; L220-V222 VanDerWaalsContact C-N 3.33Å; L220-V222 PolarHBondContact O-N 3.38Å; L220-N223 WeakPolarHBondContact CA-OD1 3.41Å; L220-N223 PolarHBondContact O-OD1 2.89Å; L220-G225 VanDerWaalsContact O-CA 3.22Å; L220-G225 WeakPolarHBondContact O-CA 3.42Å; L220-G225 PolarHBondContact O-N 3.25Å; L220-E226 WeakPolarHBondContact CD2-O 3.44Å; L220-A231 HydrophobicContact CD2-CB 4.13Å; L220-A231 HydrophobicContact CG-CB 4.44Å; L220-E277 HydrophobicContact CB-CB 4.32Å; L220-E277 HydrophobicContact CB-CG 4.41Å; L220-E277 VanDerWaalsContact CB-OE2 3.27Å; L220-E277 WeakPolarHBondContact CB-OE2 3.35Å; L220-E277 HydrophobicContact CD1-CB 3.63Å; L220-E277 HydrophobicContact CD1-CG 4.41Å; L220-E277 WeakPolarHBondContact CD1-OE2 3.49Å; L220-E277 HydrophobicContact CD2-CB 4.47Å; L220-E277 HydrophobicContact CG-CB 4.34Å
221S84.9Confident85.3Confident39 Ų3924.1 Ų24.127%0.27315%0.149SC..Hα-helixtrans-70.3-25.6174-62.10000113.6G161 S217 A218 W219G161-S221 VanDerWaalsContact CA-O 3.25Å; G161-S221 WeakPolarHBondContact CA-O 3.44Å; S217-S221 WeakPolarHBondContact O-CB 3.49Å; S217-S221 PolarHBondContact O-N 2.87Å; S217-S221 PolarHBondContact O-OG 3.43Å; A218-S221 WeakPolarHBondContact O-CB 3.49Å; A218-S221 PolarHBondContact O-N 2.88Å; W219-S221 PolarHBondContact O-N 3.26Å
222V85.1Confident84.7Confident8 Ų830.7 Ų30.75%0.04818%0.177CC..Hα-helixtrans-111.5-14.5-175.8-57.70000113.6A157 T166 L170 L173 A218 W219 L220A157-V222 WeakPolarHBondContact O-CG1 3.5Å; T166-V222 HydrophobicContact CG2-CB 4.26Å; T166-V222 WeakPolarHBondContact CG2-O 3.22Å; L170-V222 HydrophobicContact CD2-CG2 3.72Å; L170-V222 HydrophobicContact CG-CG2 4.36Å; L173-V222 HydrophobicContact CD2-CG2 4.26Å; A218-V222 WeakPolarHBondContact O-CG2 3.29Å; A218-V222 PolarHBondContact O-N 2.98Å; W219-V222 HydrophobicContact CE3-CG2 4.16Å; W219-V222 WeakPolarHBondContact O-CG2 3.36Å; W219-V222 PolarHBondContact O-N 3.02Å; L220-V222 VanDerWaalsContact C-N 3.33Å; L220-V222 PolarHBondContact O-N 3.38Å
223N80.6Confident84.5Confident33 Ų3336.9 Ų36.918%0.17621%0.208CC..THydrogen-bonded Turntrans-979179.683.7-12.6000114W219 L220 G225 E226W219-N223 HydrophobicContact CD2-CB 4.04Å; W219-N223 VanDerWaalsContact CE2-ND2 3.28Å; W219-N223 HydrophobicContact CE3-CB 4.2Å; W219-N223 HydrophobicContact CH2-CB 4.09Å; W219-N223 HydrophobicContact CZ2-CB 3.87Å; W219-N223 HydrophobicContact CZ3-CB 4.25Å; W219-N223 PolarHBondContact NE1-ND2 2.81Å; W219-N223 WeakPolarHBondContact O-CB 3.49Å; W219-N223 VanDerWaalsContact O-CG 3.32Å; W219-N223 PolarHBondContact O-N 3.15Å; W219-N223 PolarHBondContact O-OD1 3.31Å; L220-N223 WeakPolarHBondContact CA-OD1 3.41Å; L220-N223 PolarHBondContact O-OD1 2.89Å; N223-G225 WeakPolarHBondContact OD1-CA 3.46Å; N223-G225 PolarHBondContact OD1-N 3.29Å; N223-E226 PolarHBondContact ND2-O 2.87Å; N223-E226 PolarHBondContact OD1-N 3.34Å
224G68.9Low84.6Confident40 Ų4037.7 Ų37.741%0.41221%0.212SC..THydrogen-bonded Turntrans85.15.4-17400000114.8
225G70.4Confident84.1Confident4 Ų439.9 Ų39.94%0.04122%0.221CC..SBendtrans80.228.4-176.400000113.3L220 N223 K280L220-G225 VanDerWaalsContact O-CA 3.22Å; L220-G225 WeakPolarHBondContact O-CA 3.42Å; L220-G225 PolarHBondContact O-N 3.25Å; N223-G225 WeakPolarHBondContact OD1-CA 3.46Å; N223-G225 PolarHBondContact OD1-N 3.29Å; G225-K280 WeakPolarHBondContact O-CD 3.39Å
226E67.6Low83.5Confident62 Ų6241.7 Ų41.729%0.2924%0.24SC..  trans-77.8119.2174.8-68.1-148.5169.500111.2L220 N223 D228 K283L220-E226 WeakPolarHBondContact CD2-O 3.44Å; N223-E226 PolarHBondContact ND2-O 2.87Å; N223-E226 PolarHBondContact OD1-N 3.34Å; E226-D228 PolarHBondContact O-N 3.48Å; E226-K283 IonicContact OE1-NZ 3.23Å; E226-K283 PolarHBondContact OE1-NZ 3.3Å; E226-K283 IonicContact OE2-NZ 3.3Å; E226-K283 PolarHBondContact OE2-NZ 3.04Å
227G71.9Confident83.6Confident28 Ų2845.2 Ų45.229%0.28925%0.253SS..  trans-72.359.317100000113.2K232G227-K232 VanDerWaalsContact O-CE 3.23Å; G227-K232 WeakPolarHBondContact O-CE 3.33Å
228D78Confident83.7Confident47 Ų4745 Ų4525%0.25125%0.252SS..  trans-77-171.1-176.176-10.6000113.7W219 E226 L230 A231 K232W219-D228 WeakPolarHBondContact CZ2-OD2 3.38Å; W219-D228 PolarHBondContact NE1-OD1 3.36Å; W219-D228 PolarHBondContact NE1-OD2 2.82Å; E226-D228 PolarHBondContact O-N 3.48Å; D228-L230 VanDerWaalsContact C-N 3.33Å; D228-L230 PolarHBondContact O-N 3.48Å; D228-L230 PolarHBondContact OD1-N 3.46Å; D228-A231 PolarHBondContact O-N 3.38Å; D228-A231 WeakPolarHBondContact OD1-CB 3.12Å; D228-A231 PolarHBondContact OD1-N 2.96Å; D228-K232 VanDerWaalsContact O-CG 3.32Å; D228-K232 WeakPolarHBondContact O-CG 3.33Å; D228-K232 PolarHBondContact O-N 2.9Å; D228-K232 VanDerWaalsContact O-N 3.09Å
229T84.6Confident83.2Confident103 Ų10348.2 Ų48.263%0.63227%0.269SS*.Hα-helixtrans-60.8-41.5-179.2-560000112K232 M233T229-K232 PolarHBondContact O-N 3.41Å; T229-M233 HydrophobicContact CG2-SD 4.27Å; T229-M233 WeakPolarHBondContact O-CG 3.22Å; T229-M233 PolarHBondContact O-N 3.06Å
230L89.7Confident83.2Confident75 Ų7549.6 Ų49.639%0.39328%0.279SS..Hα-helixtrans-66.2-45.2-179.9179.459000110.9W219 D228 K232 M233 L234W219-L230 HydrophobicContact CD2-CD2 3.84Å; W219-L230 HydrophobicContact CE3-CD2 4.23Å; W219-L230 HydrophobicContact CG-CD2 4.22Å; W219-L230 HydrophobicContact CH2-CD2 4.45Å; W219-L230 HydrophobicContact CZ2-CD2 4.11Å; W219-L230 HydrophobicContact CZ3-CD2 4.5Å; D228-L230 VanDerWaalsContact C-N 3.33Å; D228-L230 PolarHBondContact O-N 3.48Å; D228-L230 PolarHBondContact OD1-N 3.46Å; L230-K232 VanDerWaalsContact C-N 3.31Å; L230-K232 PolarHBondContact O-N 3.03Å; L230-M233 PolarHBondContact O-N 3.5Å; L230-L234 HydrophobicContact CD1-CD1 4.15Å; L230-L234 HydrophobicContact CD1-CG 4.18Å; L230-L234 HydrophobicContact CG-CD1 4.02Å; L230-L234 HydrophobicContact CG-CG 4.49Å; L230-L234 WeakPolarHBondContact O-CG 3.32Å; L230-L234 PolarHBondContact O-N 3.41Å
231A83.8Confident83.7Confident5 Ų549.9 Ų49.94%0.04128%0.28CS..Hα-helixtrans-56.4-44.5175.300000111.8C216 L220 D228 L234 F235C216-A231 PolarHBondContact SG-O 3.43Å; L220-A231 HydrophobicContact CD2-CB 4.13Å; L220-A231 HydrophobicContact CG-CB 4.44Å; D228-A231 PolarHBondContact O-N 3.38Å; D228-A231 WeakPolarHBondContact OD1-CB 3.12Å; D228-A231 PolarHBondContact OD1-N 2.96Å; A231-L234 PolarHBondContact O-N 3.5Å; A231-F235 VanDerWaalsContact O-CB 3.23Å; A231-F235 WeakPolarHBondContact O-CB 3.24Å; A231-F235 PolarHBondContact O-N 3.44Å
232K82.3Confident83.8Confident141 Ų14149.6 Ų49.661%0.61328%0.275SS*.Hα-helixtrans-64.2-41177.7-70.1167.6-173.2167.40112.8G227 D228 T229 L230 G236G227-K232 VanDerWaalsContact O-CE 3.23Å; G227-K232 WeakPolarHBondContact O-CE 3.33Å; D228-K232 VanDerWaalsContact O-CG 3.32Å; D228-K232 WeakPolarHBondContact O-CG 3.33Å; D228-K232 PolarHBondContact O-N 2.9Å; D228-K232 VanDerWaalsContact O-N 3.09Å; T229-K232 PolarHBondContact O-N 3.41Å; L230-K232 VanDerWaalsContact C-N 3.31Å; L230-K232 PolarHBondContact O-N 3.03Å; K232-G236 PolarHBondContact O-N 3.33Å
233M92.4Very high84Confident133 Ų13354.5 Ų54.566%0.65530%0.301SS*.Hα-helixtrans-63.5-47.3176.5-72.4177.968.600111.6T229 L230 G236 Y237T229-M233 HydrophobicContact CG2-SD 4.27Å; T229-M233 WeakPolarHBondContact O-CG 3.22Å; T229-M233 PolarHBondContact O-N 3.06Å; L230-M233 PolarHBondContact O-N 3.5Å; M233-G236 PolarHBondContact O-N 3.46Å; M233-Y237 PolarHBondContact O-N 2.87Å
234L93.4Very high84.6Confident17 Ų1758.1 Ų58.19%0.08932%0.315CS..Hα-helixtrans-63.1-45.4178.5-68.8171.3000111.5W180 A212 A215 C216 W219 L230 A231 Y237 G238W180-L234 HydrophobicContact CH2-CD2 4.31Å; W180-L234 HydrophobicContact CZ3-CD2 3.77Å; A212-L234 WeakPolarHBondContact CB-O 3.41Å; A215-L234 HydrophobicContact CB-CD1 4.13Å; A215-L234 HydrophobicContact CB-CD2 4.02Å; C216-L234 HydrophobicContact CB-CB 3.77Å; C216-L234 HydrophobicContact CB-CD1 4.27Å; W219-L234 HydrophobicContact CB-CD1 4.49Å; L230-L234 HydrophobicContact CD1-CD1 4.15Å; L230-L234 HydrophobicContact CD1-CG 4.18Å; L230-L234 HydrophobicContact CG-CD1 4.02Å; L230-L234 HydrophobicContact CG-CG 4.49Å; L230-L234 WeakPolarHBondContact O-CG 3.32Å; L230-L234 PolarHBondContact O-N 3.41Å; A231-L234 PolarHBondContact O-N 3.5Å; L234-Y237 PolarHBondContact O-N 3.02Å; L234-G238 PolarHBondContact O-N 2.86Å
235F84.4Confident85.6Confident48 Ų4856.8 Ų56.821%0.21130%0.298CS..Hα-helixtrans-62.3-45.6176.7-175.4-105.8000112.1L213 A231 Y237 G238 L239 L271 V275L213-F235 HydrophobicContact CD2-CD2 4.12Å; A231-F235 VanDerWaalsContact O-CB 3.23Å; A231-F235 WeakPolarHBondContact O-CB 3.24Å; A231-F235 PolarHBondContact O-N 3.44Å; F235-Y237 PolarHBondContact O-N 3.27Å; F235-G238 WeakPolarHBondContact O-CA 3.37Å; F235-G238 PolarHBondContact O-N 3.2Å; F235-G238 VanDerWaalsContact O-N 3.13Å; F235-L239 HydrophobicContact CD1-CD1 4.01Å; F235-L239 HydrophobicContact CD1-CG 4.31Å; F235-L239 HydrophobicContact CE1-CD1 3.5Å; F235-L239 HydrophobicContact CE1-CD2 4.34Å; F235-L239 HydrophobicContact CE1-CG 3.94Å; F235-L239 HydrophobicContact CZ-CD1 4.03Å; F235-L239 HydrophobicContact CZ-CD2 4.02Å; F235-L239 HydrophobicContact CZ-CG 4.09Å; F235-L239 PolarHBondContact O-N 3.49Å; F235-L271 HydrophobicContact CE2-CD1 3.79Å; F235-L271 HydrophobicContact CZ-CD1 4.36Å; F235-V275 HydrophobicContact CE2-CG2 3.62Å; F235-V275 HydrophobicContact CZ-CG2 3.61Å
236G83.2Confident86.5Confident37 Ų3761 Ų6138%0.38132%0.32SS..Hα-helixtrans-59.9-43.8177.400000113K232 M233 L239 L240K232-G236 PolarHBondContact O-N 3.33Å; M233-G236 PolarHBondContact O-N 3.46Å; G236-L239 PolarHBondContact O-N 3.04Å; G236-L240 PolarHBondContact O-N 3.19Å; G236-L240 VanDerWaalsContact O-N 3.13Å
237Y94.5Very high87.8Confident76 Ų7667.3 Ų67.330%0.29834%0.34SS..Hα-helixtrans-65.3-39.8173.2-169.1-97.2000111.5W180 E184 A212 M233 L234 F235 L239 L240 Q241W180-Y237 AromaticContact CH2-CD1 3.99Å; W180-Y237 HydrophobicContact CH2-CD1 3.99Å; W180-Y237 HydrophobicContact CH2-CE1 4.31Å; W180-Y237 AromaticContact CZ2-CD1 3.79Å; W180-Y237 HydrophobicContact CZ2-CD1 3.79Å; W180-Y237 AromaticContact CZ2-CE1 3.66Å; W180-Y237 HydrophobicContact CZ2-CE1 3.66Å; E184-Y237 PolarHBondContact OE1-OH 3.35Å; A212-Y237 HydrophobicContact CB-CD1 3.75Å; M233-Y237 PolarHBondContact O-N 2.87Å; L234-Y237 PolarHBondContact O-N 3.02Å; F235-Y237 PolarHBondContact O-N 3.27Å; Y237-L239 VanDerWaalsContact C-N 3.33Å; Y237-L239 PolarHBondContact O-N 3.04Å; Y237-L240 HydrophobicContact CD2-CD2 4.49Å; Y237-L240 WeakPolarHBondContact O-CB 3.29Å; Y237-L240 PolarHBondContact O-N 2.99Å; Y237-L240 VanDerWaalsContact O-N 3.12Å; Y237-Q241 HydrophobicContact CD1-CG 3.9Å; Y237-Q241 HydrophobicContact CE1-CG 3.64Å; Y237-Q241 WeakPolarHBondContact O-CG 3.47Å; Y237-Q241 PolarHBondContact O-N 3.11Å
238G89.9Confident88.8Confident0 Ų069.2 Ų69.20%034%0.344CS..Hα-helixtrans-57.6-41.9173.900000113.5L234 F235 Q241 L242L234-G238 PolarHBondContact O-N 2.86Å; F235-G238 WeakPolarHBondContact O-CA 3.37Å; F235-G238 PolarHBondContact O-N 3.2Å; F235-G238 VanDerWaalsContact O-N 3.13Å; G238-Q241 PolarHBondContact O-N 2.73Å; G238-L242 PolarHBondContact O-N 3.35Å
239L84.9Confident89.4Confident68 Ų6869.9 Ų69.936%0.35635%0.346SS..Hα-helixtrans-64.5-38.4173.9-69.8-178.2000112.5F235 G236 Y237 L242 L243 L271F235-L239 HydrophobicContact CD1-CD1 4.01Å; F235-L239 HydrophobicContact CD1-CG 4.31Å; F235-L239 HydrophobicContact CE1-CD1 3.5Å; F235-L239 HydrophobicContact CE1-CD2 4.34Å; F235-L239 HydrophobicContact CE1-CG 3.94Å; F235-L239 HydrophobicContact CZ-CD1 4.03Å; F235-L239 HydrophobicContact CZ-CD2 4.02Å; F235-L239 HydrophobicContact CZ-CG 4.09Å; F235-L239 PolarHBondContact O-N 3.49Å; G236-L239 PolarHBondContact O-N 3.04Å; Y237-L239 VanDerWaalsContact C-N 3.33Å; Y237-L239 PolarHBondContact O-N 3.04Å; L239-L242 HydrophobicContact CD2-CD2 4.42Å; L239-L242 WeakPolarHBondContact O-CB 3.42Å; L239-L242 PolarHBondContact O-N 2.85Å; L239-L243 WeakPolarHBondContact O-CG 3.47Å; L239-L243 PolarHBondContact O-N 2.95Å; L239-L271 HydrophobicContact CD2-CD1 3.88Å
240L92.8Very high89.7Confident72 Ų7269.5 Ų69.538%0.37735%0.345SS..Hα-helixtrans-61.3-46.1174.3-17964.2000111.3G236 Y237 L242 L243 F244G236-L240 PolarHBondContact O-N 3.19Å; G236-L240 VanDerWaalsContact O-N 3.13Å; Y237-L240 HydrophobicContact CD2-CD2 4.49Å; Y237-L240 WeakPolarHBondContact O-CB 3.29Å; Y237-L240 PolarHBondContact O-N 2.99Å; Y237-L240 VanDerWaalsContact O-N 3.12Å; L240-L242 VanDerWaalsContact C-N 3.29Å; L240-L242 PolarHBondContact O-N 3.39Å; L240-L243 WeakPolarHBondContact O-CB 3.4Å; L240-L243 PolarHBondContact O-N 3.39Å; L240-L243 VanDerWaalsContact O-N 3.16Å; L240-F244 HydrophobicContact CD1-CD1 4.41Å; L240-F244 HydrophobicContact CD1-CE1 3.63Å; L240-F244 HydrophobicContact CD1-CE2 4.31Å; L240-F244 HydrophobicContact CD1-CZ 3.57Å; L240-F244 HydrophobicContact CD2-CE2 4.31Å; L240-F244 HydrophobicContact CD2-CZ 4.1Å; L240-F244 HydrophobicContact CG-CE1 4.15Å; L240-F244 HydrophobicContact CG-CE2 3.94Å; L240-F244 HydrophobicContact CG-CZ 3.7Å; L240-F244 WeakPolarHBondContact O-CG 3.23Å; L240-F244 PolarHBondContact O-N 3.01Å
241Q93.8Very high89.9Confident12 Ų1269.1 Ų69.16%0.05634%0.339CS..Hα-helixtrans-62.8-37176.6-60-59.975.900111.7E184 Q208 L209 Y237 G238 F244 M245E184-Q241 PolarHBondContact OE1-NE2 3.02Å; Q208-Q241 VanDerWaalsContact NE2-NE2 3.17Å; L209-Q241 HydrophobicContact CD1-CB 4.17Å; Y237-Q241 HydrophobicContact CD1-CG 3.9Å; Y237-Q241 HydrophobicContact CE1-CG 3.64Å; Y237-Q241 WeakPolarHBondContact O-CG 3.47Å; Y237-Q241 PolarHBondContact O-N 3.11Å; G238-Q241 PolarHBondContact O-N 2.73Å; Q241-F244 PolarHBondContact O-N 2.88Å; Q241-M245 WeakPolarHBondContact O-CB 3.35Å; Q241-M245 PolarHBondContact O-N 2.74Å
242L87Confident90.1Very high33 Ų3369.2 Ų69.217%0.17334%0.338CS..Hα-helixtrans-60.8-45.5173.3-179.466.1000111.6L209 G238 L239 L240 F244 M245 L246 L271L209-L242 HydrophobicContact CD1-CB 3.81Å; L209-L242 HydrophobicContact CD1-CD1 4.35Å; L209-L242 HydrophobicContact CD2-CD1 4.02Å; G238-L242 PolarHBondContact O-N 3.35Å; L239-L242 HydrophobicContact CD2-CD2 4.42Å; L239-L242 WeakPolarHBondContact O-CB 3.42Å; L239-L242 PolarHBondContact O-N 2.85Å; L240-L242 VanDerWaalsContact C-N 3.29Å; L240-L242 PolarHBondContact O-N 3.39Å; L242-F244 VanDerWaalsContact C-N 3.33Å; L242-F244 PolarHBondContact O-N 2.99Å; L242-M245 WeakPolarHBondContact O-CB 3.47Å; L242-M245 PolarHBondContact O-N 3Å; L242-M245 VanDerWaalsContact O-N 3.15Å; L242-L246 HydrophobicContact CD1-CG 4.41Å; L242-L246 HydrophobicContact CG-CD1 4.2Å; L242-L246 HydrophobicContact CG-CG 4.43Å; L242-L246 WeakPolarHBondContact O-CG 3.47Å; L242-L246 PolarHBondContact O-N 3.12Å; L242-L271 HydrophobicContact CD2-CD2 3.67Å
243L90.4Very high90.4Very high110 Ų11067.6 Ų67.658%0.57634%0.335SS*.Hα-helixtrans-60-43.2177.2-69.8172.4000111.7L239 L240 M245 L246 R247L239-L243 WeakPolarHBondContact O-CG 3.47Å; L239-L243 PolarHBondContact O-N 2.95Å; L240-L243 WeakPolarHBondContact O-CB 3.4Å; L240-L243 PolarHBondContact O-N 3.39Å; L240-L243 VanDerWaalsContact O-N 3.16Å; L243-M245 VanDerWaalsContact C-N 3.31Å; L243-M245 PolarHBondContact O-N 3.16Å; L243-L246 PolarHBondContact O-N 2.98Å; L243-R247 WeakPolarHBondContact O-CB 3.36Å; L243-R247 PolarHBondContact O-N 3.37Å
244F93.4Very high90.3Very high109 Ų10964.9 Ų64.948%0.47833%0.329SS..Hα-helixtrans-62.1-41.5174.8-64.5-12.3000111.7L240 Q241 L242 R247 L248L240-F244 HydrophobicContact CD1-CD1 4.41Å; L240-F244 HydrophobicContact CD1-CE1 3.63Å; L240-F244 HydrophobicContact CD1-CE2 4.31Å; L240-F244 HydrophobicContact CD1-CZ 3.57Å; L240-F244 HydrophobicContact CD2-CE2 4.31Å; L240-F244 HydrophobicContact CD2-CZ 4.1Å; L240-F244 HydrophobicContact CG-CE1 4.15Å; L240-F244 HydrophobicContact CG-CE2 3.94Å; L240-F244 HydrophobicContact CG-CZ 3.7Å; L240-F244 WeakPolarHBondContact O-CG 3.23Å; L240-F244 PolarHBondContact O-N 3.01Å; Q241-F244 PolarHBondContact O-N 2.88Å; L242-F244 VanDerWaalsContact C-N 3.33Å; L242-F244 PolarHBondContact O-N 2.99Å; F244-R247 WeakPolarHBondContact O-CB 3.1Å; F244-R247 PolarHBondContact O-N 2.91Å; F244-L248 WeakPolarHBondContact O-CG 3.35Å; F244-L248 PolarHBondContact O-N 3.05Å; F244-L248 VanDerWaalsContact O-N 3.12Å
245M89.7Confident89.9Confident13 Ų1365 Ų656%0.06433%0.329CS..Hα-helixtrans-66.3-42179.1-160.6176.7106.900112.5L209 Q241 L242 L243 R247 L248 M249 Y252 F264L209-M245 HydrophobicContact CB-SD 3.84Å; L209-M245 HydrophobicContact CD2-CE 4Å; L209-M245 HydrophobicContact CD2-SD 3.84Å; L209-M245 HydrophobicContact CG-SD 4.4Å; Q241-M245 WeakPolarHBondContact O-CB 3.35Å; Q241-M245 PolarHBondContact O-N 2.74Å; L242-M245 WeakPolarHBondContact O-CB 3.47Å; L242-M245 PolarHBondContact O-N 3Å; L242-M245 VanDerWaalsContact O-N 3.15Å; L243-M245 VanDerWaalsContact C-N 3.31Å; L243-M245 PolarHBondContact O-N 3.16Å; M245-R247 VanDerWaalsContact C-N 3.33Å; M245-R247 PolarHBondContact O-N 3.4Å; M245-L248 CarbonylContact O-C 3.55Å; M245-L248 PolarHBondContact O-N 3.45Å; M245-M249 PolarHBondContact O-N 3.08Å; M245-Y252 HydrophobicContact CG-CE2 3.79Å; M245-F264 HydrophobicContact CE-CB 4.31Å; M245-F264 HydrophobicContact CE-CD1 3.04Å; M245-F264 HydrophobicContact CE-CE1 3.48Å; M245-F264 VanDerWaalsContact CE-CE1 3.48Å; M245-F264 HydrophobicContact CE-CG 3.97Å; M245-F264 HydrophobicContact CG-CD1 4.27Å; M245-F264 HydrophobicContact CG-CE1 3.8Å; M245-F264 HydrophobicContact SD-CD1 3.32Å; M245-F264 WeakPolarHBondContact SD-CD1 3.49Å; M245-F264 HydrophobicContact SD-CE1 3.43Å; M245-F264 WeakPolarHBondContact SD-CE1 3.5Å
246L88.7Confident89.9Confident93 Ų9368 Ų6849%0.48735%0.354SS..Hα-helixtrans-61.6-40.9174.3-71174.2000111.4L242 L243 L248 M249L242-L246 HydrophobicContact CD1-CG 4.41Å; L242-L246 HydrophobicContact CG-CD1 4.2Å; L242-L246 HydrophobicContact CG-CG 4.43Å; L242-L246 WeakPolarHBondContact O-CG 3.47Å; L242-L246 PolarHBondContact O-N 3.12Å; L243-L246 PolarHBondContact O-N 2.98Å; L246-L248 VanDerWaalsContact C-N 3.26Å; L246-L248 PolarHBondContact O-N 3.46Å; L246-M249 HydrophobicContact CD2-CE 4.35Å; L246-M249 WeakPolarHBondContact O-CB 3.48Å; L246-M249 PolarHBondContact O-N 3.31Å; L246-M249 VanDerWaalsContact O-N 3.17Å
247R94.7Very high89.7Confident193 Ų19373.2 Ų73.273%0.72837%0.366SS*.Hα-helixtrans-62-32.5175.5176.261.2-177.986.2-1.3113L243 F244 M245L243-R247 WeakPolarHBondContact O-CB 3.36Å; L243-R247 PolarHBondContact O-N 3.37Å; F244-R247 WeakPolarHBondContact O-CB 3.1Å; F244-R247 PolarHBondContact O-N 2.91Å; M245-R247 VanDerWaalsContact C-N 3.33Å; M245-R247 PolarHBondContact O-N 3.4Å
248L93.5Very high88.7Confident68 Ų6871.9 Ų71.936%0.35637%0.365SS..Hα-helixtrans-88.9-4178.6-67.1173.8000113.4F244 M245 L246 W251 Y252F244-L248 WeakPolarHBondContact O-CG 3.35Å; F244-L248 PolarHBondContact O-N 3.05Å; F244-L248 VanDerWaalsContact O-N 3.12Å; M245-L248 CarbonylContact O-C 3.55Å; M245-L248 PolarHBondContact O-N 3.45Å; L246-L248 VanDerWaalsContact C-N 3.26Å; L246-L248 PolarHBondContact O-N 3.46Å; L248-W251 WeakPolarHBondContact O-CA 3.3Å; L248-W251 WeakPolarHBondContact O-CB 3.28Å; L248-W251 PolarHBondContact O-N 3.13Å; L248-Y252 HydrophobicContact CB-CD2 4.21Å; L248-Y252 HydrophobicContact CB-CE1 4.44Å; L248-Y252 HydrophobicContact CB-CE2 3.49Å; L248-Y252 VanDerWaalsContact CB-CE2 3.49Å; L248-Y252 WeakPolarHBondContact CD1-OH 3.49Å; L248-Y252 WeakPolarHBondContact O-CD2 3.3Å; L248-Y252 PolarHBondContact O-N 3.37Å; L248-Y252 VanDerWaalsContact O-N 3.08Å
249M89.9Confident87.8Confident62 Ų6273.1 Ų73.131%0.30538%0.375SS..Hα-helixtrans-52.6-44.9-176.8-167.76776.200114M245 L246 W251 Y252 L253M245-M249 PolarHBondContact O-N 3.08Å; L246-M249 HydrophobicContact CD2-CE 4.35Å; L246-M249 WeakPolarHBondContact O-CB 3.48Å; L246-M249 PolarHBondContact O-N 3.31Å; L246-M249 VanDerWaalsContact O-N 3.17Å; M249-W251 PolarHBondContact O-N 3.06Å; M249-Y252 PolarHBondContact O-N 3.21Å; M249-Y252 VanDerWaalsContact O-N 3.16Å; M249-L253 HydrophobicContact CG-CD1 3.73Å; M249-L253 HydrophobicContact CG-CG 4.18Å; M249-L253 WeakPolarHBondContact O-CB 3.41Å; M249-L253 VanDerWaalsContact O-CG 3.3Å; M249-L253 WeakPolarHBondContact O-CG 3.41Å; M249-L253 PolarHBondContact O-N 2.98Å; M249-L253 HydrophobicContact SD-CD1 4.24Å; M249-L253 HydrophobicContact SD-CG 4.22Å
250P91.7Very high87.5Confident94 Ų9471.7 Ų71.761%0.6137%0.371SS*.Hα-helixtrans-60.4-32.8176.9-23.735.2000113.4S254P250-S254 PolarHBondContact O-N 2.88Å
251W93.2Very high87Confident68 Ų6869.7 Ų69.726%0.25836%0.359SS..Hα-helixtrans-75-33.8178-179.676000112.3E196 L197 R202 L205 L248 M249 S254E196-W251 HydrophobicContact CG-CZ2 3.76Å; E196-W251 PolarHBondContact OE1-NE1 3.13Å; L197-W251 HydrophobicContact CB-CH2 4.36Å; R202-W251 HydrophobicContact CB-CE3 4.44Å; R202-W251 HydrophobicContact CB-CH2 3.86Å; R202-W251 HydrophobicContact CB-CZ2 4.38Å; R202-W251 HydrophobicContact CB-CZ3 3.88Å; R202-W251 HydrophobicContact CG-CH2 3.44Å; R202-W251 VanDerWaalsContact CG-CH2 3.44Å; R202-W251 HydrophobicContact CG-CZ2 3.58Å; R202-W251 HydrophobicContact CG-CZ3 3.97Å; L205-W251 HydrophobicContact CD1-CH2 4.2Å; L205-W251 HydrophobicContact CD1-CZ3 3.71Å; L248-W251 WeakPolarHBondContact O-CA 3.3Å; L248-W251 WeakPolarHBondContact O-CB 3.28Å; L248-W251 PolarHBondContact O-N 3.13Å; M249-W251 PolarHBondContact O-N 3.06Å; W251-S254 PolarHBondContact O-OG 2.74Å; W251-S254 VanDerWaalsContact O-OG 3.12Å
252Y89.3Confident86.5Confident7 Ų773.1 Ų73.13%0.02737%0.371CS..Hα-helixtrans-69-38172.2-60.5-45.5000112.8R202 L205 M245 L248 M249 S254 Q255 F264R202-Y252 HydrophobicContact CB-CD1 4.42Å; R202-Y252 WeakPolarHBondContact O-CE1 3.22Å; L205-Y252 HydrophobicContact CB-CE1 3.84Å; L205-Y252 HydrophobicContact CD1-CE1 3.99Å; L205-Y252 HydrophobicContact CG-CE1 4.3Å; M245-Y252 HydrophobicContact CG-CE2 3.79Å; L248-Y252 HydrophobicContact CB-CD2 4.21Å; L248-Y252 HydrophobicContact CB-CE1 4.44Å; L248-Y252 HydrophobicContact CB-CE2 3.49Å; L248-Y252 VanDerWaalsContact CB-CE2 3.49Å; L248-Y252 WeakPolarHBondContact CD1-OH 3.49Å; L248-Y252 WeakPolarHBondContact O-CD2 3.3Å; L248-Y252 PolarHBondContact O-N 3.37Å; L248-Y252 VanDerWaalsContact O-N 3.08Å; M249-Y252 PolarHBondContact O-N 3.21Å; M249-Y252 VanDerWaalsContact O-N 3.16Å; Y252-S254 VanDerWaalsContact C-N 3.26Å; Y252-S254 PolarHBondContact O-N 2.9Å; Y252-Q255 WeakPolarHBondContact O-CG 3.23Å; Y252-Q255 PolarHBondContact O-NE2 3.07Å; Y252-F264 HydrophobicContact CD1-CZ 4.27Å; Y252-F264 HydrophobicContact CD2-CE1 4.14Å; Y252-F264 AromaticContact CD2-CZ 3.74Å; Y252-F264 HydrophobicContact CD2-CZ 3.74Å; Y252-F264 HydrophobicContact CE2-CE1 4.08Å; Y252-F264 HydrophobicContact CE2-CZ 4.06Å; Y252-F264 AromaticContact CG-CZ 3.89Å; Y252-F264 HydrophobicContact CG-CZ 3.89Å
253L88Confident86.4Confident106 Ų10672.4 Ų72.456%0.55537%0.369SS*.SBendtrans-80.6-1.6-177.1-65.3176.3000113.6M249 Q255 F261M249-L253 HydrophobicContact CG-CD1 3.73Å; M249-L253 HydrophobicContact CG-CG 4.18Å; M249-L253 WeakPolarHBondContact O-CB 3.41Å; M249-L253 VanDerWaalsContact O-CG 3.3Å; M249-L253 WeakPolarHBondContact O-CG 3.41Å; M249-L253 PolarHBondContact O-N 2.98Å; M249-L253 HydrophobicContact SD-CD1 4.24Å; M249-L253 HydrophobicContact SD-CG 4.22Å; L253-Q255 PolarHBondContact O-N 2.85Å; L253-F261 HydrophobicContact CD2-CE1 4.03Å; L253-F261 HydrophobicContact CD2-CZ 4.49Å
254S89.2Confident86.2Confident76 Ų7668.2 Ų68.253%0.53135%0.346SS..SBendtrans-73.711.7176.582.60000113.9R202 P250 W251 Y252R202-S254 PolarHBondContact NH1-OG 2.72Å; P250-S254 PolarHBondContact O-N 2.88Å; W251-S254 PolarHBondContact O-OG 2.74Å; W251-S254 VanDerWaalsContact O-OG 3.12Å; Y252-S254 VanDerWaalsContact C-N 3.26Å; Y252-S254 PolarHBondContact O-N 2.9Å
255Q85.5Confident85.7Confident19 Ų1963.9 Ų63.99%0.08933%0.33CS..SBendtrans-138.8156.5-17772.6-165.7-46.800110.6T199 Y252 L253 F261T199-Q255 VanDerWaalsContact C-OE1 3.28Å; T199-Q255 HydrophobicContact CG2-CB 3.57Å; T199-Q255 HydrophobicContact CG2-CG 4.44Å; T199-Q255 PolarHBondContact O-OE1 3.49Å; Y252-Q255 WeakPolarHBondContact O-CG 3.23Å; Y252-Q255 PolarHBondContact O-NE2 3.07Å; L253-Q255 PolarHBondContact O-N 2.85Å; Q255-F261 HydrophobicContact CG-CE2 4.2Å; Q255-F261 HydrophobicContact CG-CZ 4.28Å
256P84.3Confident85.2Confident112 Ų11264.1 Ų64.173%0.72733%0.33SS*.  trans-61.1147.3175.6-21.833.3000112.5N258P256-N258 PolarHBondContact O-N 3.23Å; P256-N258 PolarHBondContact O-ND2 3.23Å
257F79.6Confident84.6Confident146 Ų14659.7 Ų59.764%0.6431%0.307SS*.  trans-56.2134.1172.6-175.5-94.9000110.7F261F257-F261 HydrophobicContact CD2-CB 3.88Å; F257-F261 HydrophobicContact CD2-CD1 4.18Å; F257-F261 AromaticContact CD2-CD2 3.84Å; F257-F261 HydrophobicContact CD2-CD2 3.84Å; F257-F261 HydrophobicContact CD2-CE2 4.39Å; F257-F261 AromaticContact CD2-CG 3.7Å; F257-F261 HydrophobicContact CD2-CG 3.7Å; F257-F261 HydrophobicContact CE2-CB 3.46Å; F257-F261 VanDerWaalsContact CE2-CB 3.46Å; F257-F261 HydrophobicContact CE2-CD1 4.38Å; F257-F261 HydrophobicContact CE2-CD2 4.32Å; F257-F261 AromaticContact CE2-CG 3.82Å; F257-F261 HydrophobicContact CE2-CG 3.82Å; F257-F261 HydrophobicContact CG-CD2 4.37Å; F257-F261 HydrophobicContact CZ-CB 4.14Å
258N74.3Confident84Confident49 Ų4953.9 Ų53.926%0.26229%0.293SS..  trans-147.4170179.862.861.6000110P256 S260 F261P256-N258 PolarHBondContact O-N 3.23Å; P256-N258 PolarHBondContact O-ND2 3.23Å; N258-S260 PolarHBondContact O-N 3.34Å; N258-S260 VanDerWaalsContact O-N 3.08Å; N258-S260 WeakPolarHBondContact OD1-CB 3.35Å; N258-S260 PolarHBondContact OD1-N 3.25Å; N258-F261 WeakPolarHBondContact O-CB 3.36Å; N258-F261 WeakPolarHBondContact O-CD2 3.43Å; N258-F261 PolarHBondContact O-N 3.13Å
259A71.1Confident83.2Confident26 Ų2651.1 Ų51.122%0.21528%0.279CS..G310 helixtrans-56.5-29-175.800000113.7Y17 F261 W262Y17-A259 HydrophobicContact CD2-CB 4.02Å; Y17-A259 HydrophobicContact CE1-CB 4.39Å; Y17-A259 HydrophobicContact CE2-CB 3.6Å; A259-F261 PolarHBondContact O-N 3.34Å; A259-W262 WeakPolarHBondContact O-CB 3.18Å; A259-W262 PolarHBondContact O-N 2.89Å
260S76.6Confident82.4Confident38 Ų3848.5 Ų48.527%0.26627%0.267SS..G310 helixtrans-67.3-15.8-179.8-54.40000113.4T203 N258 W262 S263T203-S260 WeakPolarHBondContact OG1-CB 3.41Å; N258-S260 PolarHBondContact O-N 3.34Å; N258-S260 VanDerWaalsContact O-N 3.08Å; N258-S260 WeakPolarHBondContact OD1-CB 3.35Å; N258-S260 PolarHBondContact OD1-N 3.25Å; S260-W262 PolarHBondContact O-N 3.41Å; S260-S263 VanDerWaalsContact O-CB 3.24Å; S260-S263 WeakPolarHBondContact O-CB 3.38Å; S260-S263 PolarHBondContact O-N 3.43Å; S260-S263 VanDerWaalsContact O-N 3.08Å; S260-S263 PolarHBondContact O-OG 3.47Å
261F82.3Confident81.6Confident29 Ų2945.5 Ų45.513%0.12725%0.246CC..G310 helixtrans-62.2-23.7169.3-84.3-94.4000112.7T203 L253 Q255 F257 N258 A259 S263 F264T203-F261 HydrophobicContact CG2-CD1 3.93Å; T203-F261 HydrophobicContact CG2-CD2 3.48Å; T203-F261 VanDerWaalsContact CG2-CD2 3.48Å; T203-F261 HydrophobicContact CG2-CE1 3.77Å; T203-F261 HydrophobicContact CG2-CE2 3.32Å; T203-F261 HydrophobicContact CG2-CG 3.81Å; T203-F261 HydrophobicContact CG2-CZ 3.48Å; T203-F261 VanDerWaalsContact CG2-CZ 3.48Å; L253-F261 HydrophobicContact CD2-CE1 4.03Å; L253-F261 HydrophobicContact CD2-CZ 4.49Å; Q255-F261 HydrophobicContact CG-CE2 4.2Å; Q255-F261 HydrophobicContact CG-CZ 4.28Å; F257-F261 HydrophobicContact CD2-CB 3.88Å; F257-F261 HydrophobicContact CD2-CD1 4.18Å; F257-F261 AromaticContact CD2-CD2 3.84Å; F257-F261 HydrophobicContact CD2-CD2 3.84Å; F257-F261 HydrophobicContact CD2-CE2 4.39Å; F257-F261 AromaticContact CD2-CG 3.7Å; F257-F261 HydrophobicContact CD2-CG 3.7Å; F257-F261 HydrophobicContact CE2-CB 3.46Å; F257-F261 VanDerWaalsContact CE2-CB 3.46Å; F257-F261 HydrophobicContact CE2-CD1 4.38Å; F257-F261 HydrophobicContact CE2-CD2 4.32Å; F257-F261 AromaticContact CE2-CG 3.82Å; F257-F261 HydrophobicContact CE2-CG 3.82Å; F257-F261 HydrophobicContact CG-CD2 4.37Å; F257-F261 HydrophobicContact CZ-CB 4.14Å; N258-F261 WeakPolarHBondContact O-CB 3.36Å; N258-F261 WeakPolarHBondContact O-CD2 3.43Å; N258-F261 PolarHBondContact O-N 3.13Å; A259-F261 PolarHBondContact O-N 3.34Å; F261-S263 PolarHBondContact O-N 2.86Å; F261-S263 VanDerWaalsContact O-N 3.16Å; F261-F264 HydrophobicContact CD1-CD2 4.23Å; F261-F264 HydrophobicContact CD1-CE2 4.07Å; F261-F264 VanDerWaalsContact O-CD2 3.26Å; F261-F264 WeakPolarHBondContact O-CD2 3.28Å; F261-F264 PolarHBondContact O-N 3.38Å
262W84.1Confident80.4Confident84 Ų8443.9 Ų43.932%0.31825%0.247SC..G310 helixtrans-65.9-14.2173.9-73.598.6000113.2I20 A259 S260 F264 S265I20-W262 HydrophobicContact CB-CD2 4.24Å; I20-W262 HydrophobicContact CB-CE3 4.46Å; I20-W262 HydrophobicContact CG1-CD2 3.76Å; I20-W262 HydrophobicContact CG1-CE3 4.46Å; I20-W262 HydrophobicContact CG1-CG 3.79Å; I20-W262 HydrophobicContact CG1-CZ2 4.25Å; I20-W262 HydrophobicContact CG2-CH2 4.13Å; I20-W262 HydrophobicContact CG2-CZ2 4.1Å; I20-W262 HydrophobicContact CG2-CZ3 4.37Å; A259-W262 WeakPolarHBondContact O-CB 3.18Å; A259-W262 PolarHBondContact O-N 2.89Å; S260-W262 PolarHBondContact O-N 3.41Å; W262-F264 PolarHBondContact O-N 2.84Å; W262-S265 WeakPolarHBondContact O-CB 3.41Å; W262-S265 PolarHBondContact O-N 3.3Å; W262-S265 PolarHBondContact O-OG 3.47Å
263S85.7Confident79.4Confident18 Ų1844.5 Ų44.513%0.12625%0.252CS..Hα-helixtrans-62.9-24.7173.867.60000114.1T203 G206 S260 F261 S265T203-S263 PolarHBondContact O-OG 2.93Å; G206-S263 CarbonylContact C-O 3.42Å; S260-S263 VanDerWaalsContact O-CB 3.24Å; S260-S263 WeakPolarHBondContact O-CB 3.38Å; S260-S263 PolarHBondContact O-N 3.43Å; S260-S263 VanDerWaalsContact O-N 3.08Å; S260-S263 PolarHBondContact O-OG 3.47Å; F261-S263 PolarHBondContact O-N 2.86Å; F261-S263 VanDerWaalsContact O-N 3.16Å; S263-S265 VanDerWaalsContact C-N 3.31Å
264F85.3Confident78Confident22 Ų2239.5 Ų39.510%0.09623%0.226CC..Hα-helixtrans-70.7-29.6173.8-66.9-67.7000112.7T203 M245 Y252 F261 W262 F266 G267 V268T203-F264 HydrophobicContact CG2-CE2 4.12Å; M245-F264 HydrophobicContact CE-CB 4.31Å; M245-F264 HydrophobicContact CE-CD1 3.04Å; M245-F264 HydrophobicContact CE-CE1 3.48Å; M245-F264 VanDerWaalsContact CE-CE1 3.48Å; M245-F264 HydrophobicContact CE-CG 3.97Å; M245-F264 HydrophobicContact CG-CD1 4.27Å; M245-F264 HydrophobicContact CG-CE1 3.8Å; M245-F264 HydrophobicContact SD-CD1 3.32Å; M245-F264 WeakPolarHBondContact SD-CD1 3.49Å; M245-F264 HydrophobicContact SD-CE1 3.43Å; M245-F264 WeakPolarHBondContact SD-CE1 3.5Å; Y252-F264 HydrophobicContact CD1-CZ 4.27Å; Y252-F264 HydrophobicContact CD2-CE1 4.14Å; Y252-F264 AromaticContact CD2-CZ 3.74Å; Y252-F264 HydrophobicContact CD2-CZ 3.74Å; Y252-F264 HydrophobicContact CE2-CE1 4.08Å; Y252-F264 HydrophobicContact CE2-CZ 4.06Å; Y252-F264 AromaticContact CG-CZ 3.89Å; Y252-F264 HydrophobicContact CG-CZ 3.89Å; F261-F264 HydrophobicContact CD1-CD2 4.23Å; F261-F264 HydrophobicContact CD1-CE2 4.07Å; F261-F264 VanDerWaalsContact O-CD2 3.26Å; F261-F264 WeakPolarHBondContact O-CD2 3.28Å; F261-F264 PolarHBondContact O-N 3.38Å; W262-F264 PolarHBondContact O-N 2.84Å; F264-F266 VanDerWaalsContact C-N 3.28Å; F264-F266 PolarHBondContact O-N 3.29Å; F264-G267 PolarHBondContact O-N 3.34Å; F264-V268 WeakPolarHBondContact O-CG2 3.36Å; F264-V268 PolarHBondContact O-N 3.13Å
265S84.2Confident76.3Confident19 Ų1938.9 Ų38.913%0.13322%0.219CC..Hα-helixtrans-61.3-37-168.168.50000112.4G19 G23 W262 S263 V268 S269G19-S265 PolarHBondContact O-OG 2.86Å; G23-S265 WeakPolarHBondContact CA-OG 3.47Å; G23-S265 PolarHBondContact N-OG 3.47Å; W262-S265 WeakPolarHBondContact O-CB 3.41Å; W262-S265 PolarHBondContact O-N 3.3Å; W262-S265 PolarHBondContact O-OG 3.47Å; S263-S265 VanDerWaalsContact C-N 3.31Å; S265-V268 PolarHBondContact O-N 2.98Å; S265-S269 WeakPolarHBondContact O-CB 3.42Å; S265-S269 PolarHBondContact O-N 3.45Å; S265-S269 PolarHBondContact O-OG 2.9Å; S265-S269 VanDerWaalsContact O-OG 3.04Å
266F78.8Confident75.1Confident17 Ų1738.5 Ų38.58%0.07522%0.217CC..Hα-helixtrans-63.4-49.5-178.7-156.9-160000113L22 A151 I155 M158 A210 V214 F264 V268 S269 A270L22-F266 HydrophobicContact CD1-CD1 4.26Å; L22-F266 HydrophobicContact CD1-CD2 4.46Å; L22-F266 HydrophobicContact CD1-CE1 4.41Å; L22-F266 HydrophobicContact CD1-CG 4.3Å; L22-F266 HydrophobicContact CD2-CB 3.13Å; L22-F266 HydrophobicContact CD2-CD1 3.85Å; L22-F266 HydrophobicContact CD2-CD2 3.25Å; L22-F266 HydrophobicContact CD2-CE2 4.08Å; L22-F266 HydrophobicContact CD2-CG 3.12Å; L22-F266 HydrophobicContact CG-CB 4.43Å; L22-F266 HydrophobicContact CG-CD1 4.45Å; L22-F266 HydrophobicContact CG-CD2 3.84Å; L22-F266 HydrophobicContact CG-CE2 4.19Å; L22-F266 HydrophobicContact CG-CG 4Å; A151-F266 HydrophobicContact CB-CE1 4.32Å; I155-F266 HydrophobicContact CD1-CE1 4.17Å; I155-F266 HydrophobicContact CD1-CZ 3.81Å; I155-F266 HydrophobicContact CG1-CE1 4.5Å; I155-F266 HydrophobicContact CG1-CZ 3.86Å; M158-F266 HydrophobicContact CE-CZ 4.25Å; A210-F266 HydrophobicContact CB-CB 4.43Å; A210-F266 HydrophobicContact CB-CD1 4Å; V214-F266 HydrophobicContact CB-CE1 4.12Å; V214-F266 HydrophobicContact CB-CZ 4.28Å; V214-F266 HydrophobicContact CG1-CE1 3.64Å; V214-F266 HydrophobicContact CG1-CE2 4.5Å; V214-F266 HydrophobicContact CG1-CZ 3.54Å; V214-F266 HydrophobicContact CG2-CD1 3.59Å; V214-F266 HydrophobicContact CG2-CD2 4.28Å; V214-F266 HydrophobicContact CG2-CE1 3.36Å; V214-F266 HydrophobicContact CG2-CE2 4.09Å; V214-F266 HydrophobicContact CG2-CG 4.05Å; V214-F266 HydrophobicContact CG2-CZ 3.62Å; F264-F266 VanDerWaalsContact C-N 3.28Å; F264-F266 PolarHBondContact O-N 3.29Å; F266-V268 VanDerWaalsContact C-N 3.28Å; F266-V268 PolarHBondContact O-N 3.46Å; F266-S269 PolarHBondContact O-N 3.18Å; F266-A270 VanDerWaalsContact O-CB 3.29Å; F266-A270 WeakPolarHBondContact O-CB 3.42Å; F266-A270 PolarHBondContact O-N 3.45Å
267G76.5Confident73.8Confident0 Ų033.9 Ų33.90%019%0.186CC..Hα-helixtrans-62.5-40.9-178.500000110.5L213 F264 A270 L271L213-G267 VanDerWaalsContact CD1-O 3.28Å; L213-G267 WeakPolarHBondContact CD1-O 3.46Å; F264-G267 PolarHBondContact O-N 3.34Å; G267-A270 PolarHBondContact O-N 3.36Å; G267-L271 WeakPolarHBondContact O-CB 3.26Å; G267-L271 PolarHBondContact O-N 3.03Å
268V82.1Confident72.4Confident72 Ų7229.7 Ų29.744%0.43618%0.178SC..Hα-helixtrans-67-42.9176.9177.20000112L209 F264 S265 F266 L271 A272L209-V268 HydrophobicContact CD2-CG2 4.1Å; F264-V268 WeakPolarHBondContact O-CG2 3.36Å; F264-V268 PolarHBondContact O-N 3.13Å; S265-V268 PolarHBondContact O-N 2.98Å; F266-V268 VanDerWaalsContact C-N 3.28Å; F266-V268 PolarHBondContact O-N 3.46Å; V268-L271 WeakPolarHBondContact O-CB 3.28Å; V268-L271 PolarHBondContact O-N 2.83Å; V268-A272 PolarHBondContact O-N 3.29Å; V268-A272 VanDerWaalsContact O-N 3.13Å
269S75.9Confident71.4Confident10 Ų1030.6 Ų30.67%0.0719%0.185CC..Hα-helixtrans-66.7-38.4176.4-64.60000112.7G23 M27 S265 F266 A272 T273G23-S269 PolarHBondContact O-OG 3.44Å; M27-S269 PolarHBondContact N-OG 3.01Å; S265-S269 WeakPolarHBondContact O-CB 3.42Å; S265-S269 PolarHBondContact O-N 3.45Å; S265-S269 PolarHBondContact O-OG 2.9Å; S265-S269 VanDerWaalsContact O-OG 3.04Å; F266-S269 PolarHBondContact O-N 3.18Å; S269-A272 PolarHBondContact O-N 2.9Å; S269-T273 PolarHBondContact O-N 3.49Å; S269-T273 VanDerWaalsContact O-N 3.12Å; S269-T273 PolarHBondContact O-OG1 3.34Å
270A72.8Confident71Confident6 Ų632.6 Ų32.65%0.0519%0.189CC..Hα-helixtrans-66.3-38.4173.800000111.4L213 V214 F266 G267 A272 T273 T274L213-A270 HydrophobicContact CB-CB 3.78Å; V214-A270 HydrophobicContact CG2-CB 3.77Å; F266-A270 VanDerWaalsContact O-CB 3.29Å; F266-A270 WeakPolarHBondContact O-CB 3.42Å; F266-A270 PolarHBondContact O-N 3.45Å; G267-A270 PolarHBondContact O-N 3.36Å; A270-A272 VanDerWaalsContact C-N 3.32Å; A270-A272 PolarHBondContact O-N 3.16Å; A270-T273 PolarHBondContact O-N 3.34Å; A270-T274 WeakPolarHBondContact O-CB 3.45Å; A270-T274 VanDerWaalsContact O-CG2 3.28Å; A270-T274 WeakPolarHBondContact O-CG2 3.48Å; A270-T274 PolarHBondContact O-N 3.35Å; A270-T274 PolarHBondContact O-OG1 3.48Å
271L74.3Confident70.6Confident31 Ų3133.9 Ų33.916%0.16220%0.195CC..Hα-helixtrans-55.7-48.1171.8-174.366.9000111.2L213 F235 L239 L242 G267 V268 T273 T274 V275L213-L271 HydrophobicContact CD1-CB 3.82Å; L213-L271 HydrophobicContact CD1-CD1 4.05Å; L213-L271 HydrophobicContact CD1-CG 4.49Å; L213-L271 HydrophobicContact CD2-CD1 3.73Å; F235-L271 HydrophobicContact CE2-CD1 3.79Å; F235-L271 HydrophobicContact CZ-CD1 4.36Å; L239-L271 HydrophobicContact CD2-CD1 3.88Å; L242-L271 HydrophobicContact CD2-CD2 3.67Å; G267-L271 WeakPolarHBondContact O-CB 3.26Å; G267-L271 PolarHBondContact O-N 3.03Å; V268-L271 WeakPolarHBondContact O-CB 3.28Å; V268-L271 PolarHBondContact O-N 2.83Å; L271-T273 VanDerWaalsContact C-N 3.33Å; L271-T273 PolarHBondContact O-N 2.8Å; L271-T274 WeakPolarHBondContact CA-OG1 3.23Å; L271-T274 PolarHBondContact O-N 3.33Å; L271-T274 PolarHBondContact O-OG1 2.92Å; L271-V275 VanDerWaalsContact O-CG2 3.28Å; L271-V275 WeakPolarHBondContact O-CG2 3.48Å; L271-V275 PolarHBondContact O-N 3.32Å; L271-V275 VanDerWaalsContact O-N 3.08Å
272A69.7Low70.3Confident35 Ų3533.5 Ų33.529%0.28920%0.195SC..Hα-helixtrans-60.7-43.8179.500000111.7A30 V268 S269 A270 L276A30-A272 HydrophobicContact CB-CB 3.87Å; V268-A272 PolarHBondContact O-N 3.29Å; V268-A272 VanDerWaalsContact O-N 3.13Å; S269-A272 PolarHBondContact O-N 2.9Å; A270-A272 VanDerWaalsContact C-N 3.32Å; A270-A272 PolarHBondContact O-N 3.16Å; A272-L276 WeakPolarHBondContact O-CD1 3.33Å; A272-L276 VanDerWaalsContact O-CG 3.23Å; A272-L276 WeakPolarHBondContact O-CG 3.4Å; A272-L276 PolarHBondContact O-N 2.98Å
273T67.9Low70.1Confident19 Ų1935.5 Ų35.512%0.11721%0.206CC..Hα-helixtrans-65.4-49.8179.8-52.40000111.6S269 A270 L271 V275 L276 E277S269-T273 PolarHBondContact O-N 3.49Å; S269-T273 VanDerWaalsContact O-N 3.12Å; S269-T273 PolarHBondContact O-OG1 3.34Å; A270-T273 PolarHBondContact O-N 3.34Å; L271-T273 VanDerWaalsContact C-N 3.33Å; L271-T273 PolarHBondContact O-N 2.8Å; T273-V275 VanDerWaalsContact C-N 3.34Å; T273-V275 PolarHBondContact O-N 3.24Å; T273-L276 PolarHBondContact O-N 2.92Å; T273-E277 HydrophobicContact CG2-CG 4.33Å; T273-E277 WeakPolarHBondContact O-CG 3.31Å; T273-E277 PolarHBondContact O-N 2.82Å
274T57.4Low69.9Low1 Ų137.1 Ų37.11%0.00622%0.216CC..Hα-helixtrans-61.4-38-179.551.60000113.2L213 C216 S217 A270 L271 L276 E277 A278L213-T274 VanDerWaalsContact O-CG2 3.3Å; L213-T274 WeakPolarHBondContact O-CG2 3.33Å; C216-T274 HydrophobicContact CB-CG2 3.59Å; S217-T274 VanDerWaalsContact OG-CG2 3.3Å; S217-T274 WeakPolarHBondContact OG-CG2 3.36Å; A270-T274 WeakPolarHBondContact O-CB 3.45Å; A270-T274 VanDerWaalsContact O-CG2 3.28Å; A270-T274 WeakPolarHBondContact O-CG2 3.48Å; A270-T274 PolarHBondContact O-N 3.35Å; A270-T274 PolarHBondContact O-OG1 3.48Å; L271-T274 WeakPolarHBondContact CA-OG1 3.23Å; L271-T274 PolarHBondContact O-N 3.33Å; L271-T274 PolarHBondContact O-OG1 2.92Å; T274-L276 VanDerWaalsContact C-N 3.31Å; T274-L276 PolarHBondContact O-N 3.41Å; T274-E277 PolarHBondContact O-N 3.32Å; T274-A278 VanDerWaalsContact O-CB 3.26Å; T274-A278 WeakPolarHBondContact O-CB 3.25Å; T274-A278 PolarHBondContact O-N 3.03Å
275V54.2Low70.1Confident64 Ų6436.9 Ų36.939%0.38822%0.22SC..Hα-helixtrans-60.3-44.1173.4169.10000110.8F235 L271 T273 V279F235-V275 HydrophobicContact CE2-CG2 3.62Å; F235-V275 HydrophobicContact CZ-CG2 3.61Å; L271-V275 VanDerWaalsContact O-CG2 3.28Å; L271-V275 WeakPolarHBondContact O-CG2 3.48Å; L271-V275 PolarHBondContact O-N 3.32Å; L271-V275 VanDerWaalsContact O-N 3.08Å; T273-V275 VanDerWaalsContact C-N 3.34Å; T273-V275 PolarHBondContact O-N 3.24Å; V275-V279 PolarHBondContact O-N 3.45Å
276L59.3Low70.7Confident11 Ų1139.7 Ų39.76%0.05823%0.23CC..Hα-helixtrans-71.4-35.8-179.5-61.7164.5000111.9A30 Y33 A34 W38 A272 T273 T274 V279A30-L276 HydrophobicContact CB-CD1 4.45Å; A30-L276 WeakPolarHBondContact O-CD1 3.45Å; Y33-L276 HydrophobicContact CD1-CB 3.23Å; Y33-L276 HydrophobicContact CD1-CD1 4.03Å; Y33-L276 HydrophobicContact CD1-CG 4.19Å; Y33-L276 HydrophobicContact CE1-CB 3.36Å; Y33-L276 WeakPolarHBondContact CE1-O 3.48Å; Y33-L276 HydrophobicContact CG-CB 4.34Å; Y33-L276 PolarHBondContact OH-O 2.92Å; A34-L276 HydrophobicContact CB-CD1 3.91Å; A34-L276 HydrophobicContact CB-CD2 4.29Å; W38-L276 HydrophobicContact CE3-CD2 4.12Å; W38-L276 HydrophobicContact CH2-CD2 3.25Å; W38-L276 HydrophobicContact CZ2-CD2 3.72Å; W38-L276 HydrophobicContact CZ3-CD2 3.47Å; W38-L276 VanDerWaalsContact CZ3-CD2 3.47Å; A272-L276 WeakPolarHBondContact O-CD1 3.33Å; A272-L276 VanDerWaalsContact O-CG 3.23Å; A272-L276 WeakPolarHBondContact O-CG 3.4Å; A272-L276 PolarHBondContact O-N 2.98Å; T273-L276 PolarHBondContact O-N 2.92Å; T274-L276 VanDerWaalsContact C-N 3.31Å; T274-L276 PolarHBondContact O-N 3.41Å; L276-V279 WeakPolarHBondContact O-CG2 3.27Å; L276-V279 PolarHBondContact O-N 3.48Å
277E58.6Low71.4Confident15 Ų1538.9 Ų38.97%0.0723%0.226CC..Hα-helixtrans-67-41.7174.8-72.1174.5148.700112.2Y33 L220 T273 T274 V279 K280Y33-E277 HydrophobicContact CD2-CG 4.21Å; Y33-E277 HydrophobicContact CE1-CG 4.39Å; Y33-E277 HydrophobicContact CE2-CG 3.67Å; Y33-E277 WeakPolarHBondContact OH-CA 3.34Å; L220-E277 HydrophobicContact CB-CB 4.32Å; L220-E277 HydrophobicContact CB-CG 4.41Å; L220-E277 VanDerWaalsContact CB-OE2 3.27Å; L220-E277 WeakPolarHBondContact CB-OE2 3.35Å; L220-E277 HydrophobicContact CD1-CB 3.63Å; L220-E277 HydrophobicContact CD1-CG 4.41Å; L220-E277 WeakPolarHBondContact CD1-OE2 3.49Å; L220-E277 HydrophobicContact CD2-CB 4.47Å; L220-E277 HydrophobicContact CG-CB 4.34Å; T273-E277 HydrophobicContact CG2-CG 4.33Å; T273-E277 WeakPolarHBondContact O-CG 3.31Å; T273-E277 PolarHBondContact O-N 2.82Å; T274-E277 PolarHBondContact O-N 3.32Å; E277-V279 PolarHBondContact O-N 3.49Å; E277-V279 VanDerWaalsContact O-N 3.12Å; E277-K280 WeakPolarHBondContact O-CB 3.44Å; E277-K280 PolarHBondContact O-N 2.86Å
278A49.6Very low72.4Confident57 Ų5738.9 Ų38.947%0.47123%0.226SC..Hα-helixtrans-62.2-20.4178.100000113.6T274T274-A278 VanDerWaalsContact O-CB 3.26Å; T274-A278 WeakPolarHBondContact O-CB 3.25Å; T274-A278 PolarHBondContact O-N 3.03Å
279V53.5Low72.9Confident68 Ų6835.5 Ų35.541%0.41221%0.205SC..THydrogen-bonded Turntrans-87.76.7176.4-60.20000114.1V37 V275 L276 E277 V281V37-V279 HydrophobicContact CG1-CG2 4.2Å; V275-V279 PolarHBondContact O-N 3.45Å; L276-V279 WeakPolarHBondContact O-CG2 3.27Å; L276-V279 PolarHBondContact O-N 3.48Å; E277-V279 PolarHBondContact O-N 3.49Å; E277-V279 VanDerWaalsContact O-N 3.12Å; V279-V281 WeakPolarHBondContact O-CG2 3.18Å; V279-V281 PolarHBondContact O-N 3.03Å
280K63Low73.8Confident68 Ų6835 Ų3530%0.29620%0.202SC..  trans-63.4107.2167-85.5173.9170.6-178.70109.9Y33 G225 E277Y33-K280 WeakPolarHBondContact OH-CD 3.38Å; Y33-K280 WeakPolarHBondContact OH-CE 3.13Å; Y33-K280 VanDerWaalsContact OH-CG 3.25Å; Y33-K280 WeakPolarHBondContact OH-CG 3.33Å; G225-K280 WeakPolarHBondContact O-CD 3.39Å; E277-K280 WeakPolarHBondContact O-CB 3.44Å; E277-K280 PolarHBondContact O-N 2.86Å
281V67.9Low74.7Confident65 Ų6535.2 Ų35.239%0.39421%0.205SC..  trans-87.7-35.2-177-172.20000112.4V279 Y382 V419V279-V281 WeakPolarHBondContact O-CG2 3.18Å; V279-V281 PolarHBondContact O-N 3.03Å; V281-Y382 HydrophobicContact CG1-CE1 3.66Å; V281-Y382 WeakPolarHBondContact CG1-OH 3.29Å; V281-Y382 PolarHBondContact O-OH 3.19Å; V281-V419 HydrophobicContact CG1-CG1 4.1Å; V281-V419 HydrophobicContact CG1-CG2 4.42Å; V281-V419 HydrophobicContact CG2-CG1 4.21Å
282V74.7Confident75.3Confident22 Ų2234.2 Ų34.213%0.13320%0.201CC..SBendtrans-96.6129-176.8-170.10000109.1Y306 F351 Y382 L446V282-Y306 HydrophobicContact CG1-CE1 4.3Å; V282-Y306 PolarHBondContact O-OH 3.43Å; V282-F351 HydrophobicContact CG1-CB 3.93Å; V282-F351 HydrophobicContact CG1-CD1 4.13Å; V282-F351 HydrophobicContact CG1-CD2 4.12Å; V282-F351 HydrophobicContact CG1-CG 3.81Å; V282-Y382 HydrophobicContact CB-CD2 4.31Å; V282-Y382 HydrophobicContact CG1-CD2 3.96Å; V282-Y382 HydrophobicContact CG1-CG 4.35Å; V282-Y382 HydrophobicContact CG2-CD1 3.99Å; V282-Y382 HydrophobicContact CG2-CD2 3.91Å; V282-Y382 HydrophobicContact CG2-CE1 4.47Å; V282-Y382 HydrophobicContact CG2-CE2 4.43Å; V282-Y382 HydrophobicContact CG2-CG 3.68Å; V282-L446 HydrophobicContact CG2-CD1 4.17Å
283K80.2Confident76.1Confident126 Ų12633.5 Ų33.555%0.54820%0.197SC..PPolyproline II helixtrans-85.9153.2177.1-66.3-170.2168.2-140.20111.2E226 G285 Y306E226-K283 IonicContact OE1-NZ 3.23Å; E226-K283 PolarHBondContact OE1-NZ 3.3Å; E226-K283 IonicContact OE2-NZ 3.3Å; E226-K283 PolarHBondContact OE2-NZ 3.04Å; K283-G285 PolarHBondContact O-N 3.43Å; K283-Y306 VanDerWaalsContact O-CE1 3.24Å; K283-Y306 WeakPolarHBondContact O-CE1 3.4Å
284P82.9Confident76.7Confident51 Ų5137 Ų3733%0.33122%0.215SC..SBendtrans-52.4135.8168.3-25.335.1000112Y306P284-Y306 HydrophobicContact CB-CD2 4.21Å; P284-Y306 HydrophobicContact CB-CE2 4.22Å; P284-Y306 HydrophobicContact CB-CG 4.41Å; P284-Y306 HydrophobicContact CG-CD2 4.4Å; P284-Y306 HydrophobicContact CG-CE2 4Å
285G89.3Confident77.5Confident17 Ų1737 Ų3718%0.17521%0.214CC..  trans-180-173.5-176.900000110.8K283 T287 D307K283-G285 PolarHBondContact O-N 3.43Å; G285-T287 PolarHBondContact O-N 3.16Å; G285-T287 PolarHBondContact O-OG1 2.95Å; G285-D307 PolarHBondContact O-N 3.41Å; G285-D307 VanDerWaalsContact O-N 3.15Å
286K96.2Very high78.1Confident79 Ų7943.2 Ų43.234%0.34323%0.231SC..EExtended strand (participates in β ladder)trans-68.8126.1179.5-164.1175.5-178.7174.50110D307 Y349 D350 F351K286-D307 CarbonylContact C-O 3.58Å; K286-D307 WeakPolarHBondContact CA-O 3.47Å; K286-Y349 HydrophobicContact CB-CD1 4.4Å; K286-Y349 HydrophobicContact CD-CD1 4.27Å; K286-Y349 HydrophobicContact CD-CE1 4.19Å; K286-Y349 HydrophobicContact CG-CD1 3.77Å; K286-Y349 HydrophobicContact CG-CE1 3.91Å; K286-Y349 CarbonylContact O-C 3.57Å; K286-D350 PolarHBondContact N-OD2 3.44Å; K286-D350 PolarHBondContact O-N 3.12Å; K286-F351 PolarHBondContact O-N 3.48Å
287T94.2Very high78.8Confident0 Ų044.3 Ų44.30%024%0.237CC..EExtended strand (participates in β ladder)trans-131.5140.2-164.5-58.20000111.6G285 L301 Y306 D307 V308 D309 F351 L353G285-T287 PolarHBondContact O-N 3.16Å; G285-T287 PolarHBondContact O-OG1 2.95Å; T287-L301 HydrophobicContact CG2-CD1 4.1Å; T287-Y306 VanDerWaalsContact OG1-CD1 3.25Å; T287-Y306 WeakPolarHBondContact OG1-CD1 3.24Å; T287-D307 WeakPolarHBondContact CA-O 3.44Å; T287-D307 PolarHBondContact N-O 3.49Å; T287-V308 CarbonylContact O-C 3.51Å; T287-V308 WeakPolarHBondContact O-CA 3.23Å; T287-D309 PolarHBondContact O-N 3.4Å; T287-F351 CarbonylContact C-O 3.6Å; T287-F351 WeakPolarHBondContact CA-O 3.47Å; T287-F351 HydrophobicContact CG2-CB 4.16Å; T287-F351 HydrophobicContact CG2-CD1 3.72Å; T287-F351 HydrophobicContact CG2-CG 4.25Å; T287-L353 HydrophobicContact CG2-CD2 3.57Å
288L97Very high79.9Confident0 Ų043.6 Ų43.60%023%0.234CC..EExtended strand (participates in β ladder)trans-124.6116177.6179.362.3000111.1L290 D309 W311 F345 Y349 F351 I352 L353L288-L290 HydrophobicContact CD1-CD2 4.17Å; L288-L290 HydrophobicContact CD2-CD2 3.89Å; L288-L290 HydrophobicContact CD2-CG 4.17Å; L288-L290 HydrophobicContact CG-CD2 3.93Å; L288-L290 HydrophobicContact CG-CG 4.05Å; L288-D309 WeakPolarHBondContact CA-O 3.28Å; L288-D309 HydrophobicContact CD1-CB 3.62Å; L288-W311 HydrophobicContact CD1-CD2 3.64Å; L288-W311 HydrophobicContact CD1-CE3 3.68Å; L288-W311 HydrophobicContact CD1-CG 4.28Å; L288-W311 HydrophobicContact CD1-CH2 3.75Å; L288-W311 HydrophobicContact CD1-CZ2 3.73Å; L288-W311 HydrophobicContact CD1-CZ3 3.72Å; L288-W311 HydrophobicContact CD2-CH2 4.37Å; L288-W311 HydrophobicContact CD2-CZ3 4.17Å; L288-F345 HydrophobicContact CD2-CD2 3.89Å; L288-F345 HydrophobicContact CD2-CE1 4.33Å; L288-F345 HydrophobicContact CD2-CE2 3.57Å; L288-F345 HydrophobicContact CD2-CG 4.4Å; L288-F345 HydrophobicContact CD2-CZ 3.82Å; L288-Y349 HydrophobicContact CB-CD1 3.65Å; L288-Y349 HydrophobicContact CB-CD2 4.23Å; L288-Y349 HydrophobicContact CB-CE1 3.64Å; L288-Y349 HydrophobicContact CB-CE2 4.22Å; L288-Y349 HydrophobicContact CB-CG 3.96Å; L288-Y349 HydrophobicContact CD1-CE1 4.5Å; L288-Y349 HydrophobicContact CD2-CD2 4.2Å; L288-Y349 HydrophobicContact CD2-CE2 3.85Å; L288-Y349 HydrophobicContact CG-CE1 4.47Å; L288-F351 PolarHBondContact N-O 3.36Å; L288-I352 HydrophobicContact CB-CG1 4.22Å; L288-I352 HydrophobicContact CB-CG2 4.12Å; L288-I352 HydrophobicContact CD2-CD1 4.45Å; L288-I352 HydrophobicContact CD2-CG2 4.17Å; L288-I352 HydrophobicContact CG-CG2 4.27Å; L288-I352 CarbonylContact O-C 3.19Å; L288-I352 WeakPolarHBondContact O-CA 3.32Å; L288-L353 WeakPolarHBondContact O-CD2 3.39Å; L288-L353 PolarHBondContact O-N 3.03Å
289D93Very high81.1Confident0 Ų042.1 Ų42.10%022%0.217CC..EExtended strand (participates in β ladder)trans-101.5101.2175.6-167.12.7000110.1C292 S298 D309 W311 L353D289-C292 HydrophobicContact CB-CB 4.13Å; D289-C292 WeakPolarHBondContact OD2-CB 3.14Å; D289-S298 VanDerWaalsContact CB-OG 3.28Å; D289-S298 WeakPolarHBondContact CB-OG 3.29Å; D289-S298 PolarHBondContact OD2-N 3.34Å; D289-S298 PolarHBondContact OD2-OG 2.98Å; D289-D309 PolarHBondContact N-O 2.9Å; D289-W311 PolarHBondContact O-N 3.13Å; D289-L353 HydrophobicContact CB-CD1 4.49Å; D289-L353 HydrophobicContact CB-CD2 3.94Å; D289-L353 HydrophobicContact CB-CG 4.07Å
290L94.7Very high81.9Confident0 Ų042.9 Ų42.90%021%0.213CC..EExtended strand (participates in β ladder)trans-86.5109.4-178.8-65.4173.8000110.5L288 W311 L340 F345 I352 L353 V357 L369 M373L288-L290 HydrophobicContact CD1-CD2 4.17Å; L288-L290 HydrophobicContact CD2-CD2 3.89Å; L288-L290 HydrophobicContact CD2-CG 4.17Å; L288-L290 HydrophobicContact CG-CD2 3.93Å; L288-L290 HydrophobicContact CG-CG 4.05Å; L290-W311 HydrophobicContact CD2-CE3 3.82Å; L290-W311 HydrophobicContact CD2-CZ3 4.24Å; L290-L340 HydrophobicContact CB-CD1 4.17Å; L290-L340 HydrophobicContact CB-CD2 4.49Å; L290-L340 HydrophobicContact CD2-CD2 3.79Å; L290-F345 HydrophobicContact CD1-CE1 4.25Å; L290-F345 HydrophobicContact CD1-CZ 4.22Å; L290-F345 HydrophobicContact CD2-CE1 4.18Å; L290-I352 HydrophobicContact CD1-CG2 4.09Å; L290-I352 HydrophobicContact CG-CG2 4.45Å; L290-L353 PolarHBondContact N-O 2.94Å; L290-V357 WeakPolarHBondContact O-CG2 3.28Å; L290-L369 HydrophobicContact CD1-CD1 4.22Å; L290-M373 HydrophobicContact CD1-CE 4.29Å; L290-M373 HydrophobicContact CD1-CG 3.69Å; L290-M373 HydrophobicContact CD1-SD 3.82Å
291G92.1Very high82.6Confident11 Ų1140.4 Ų40.411%0.11320%0.204CC..THydrogen-bonded Turntrans80.152.9-173.300000112G293 W311 D312 V357G291-G293 PolarHBondContact O-N 3.42Å; G291-G293 VanDerWaalsContact O-N 3.11Å; G291-W311 CarbonylContact C-O 3.53Å; G291-W311 WeakPolarHBondContact CA-O 3.34Å; G291-W311 PolarHBondContact N-O 3.33Å; G291-D312 VanDerWaalsContact C-OD2 3.26Å; G291-D312 WeakPolarHBondContact CA-OD2 3.28Å; G291-V357 VanDerWaalsContact O-CG2 3.26Å; G291-V357 WeakPolarHBondContact O-CG2 3.36Å
292C87Confident83.3Confident10 Ų1037.5 Ų37.57%0.06819%0.186CC..  trans-65.8-14-172.168.60000114.3D289 N294 G295 S298 A310 W311 D312 I318D289-C292 HydrophobicContact CB-CB 4.13Å; D289-C292 WeakPolarHBondContact OD2-CB 3.14Å; C292-N294 PolarHBondContact O-N 2.85Å; C292-G295 WeakPolarHBondContact O-CA 3.14Å; C292-G295 PolarHBondContact O-N 3.24Å; C292-S298 WeakPolarHBondContact CB-OG 3.29Å; C292-A310 HydrophobicContact CB-CB 4.09Å; C292-W311 PolarHBondContact N-O 2.95Å; C292-D312 PolarHBondContact N-OD2 3.48Å; C292-I318 VanDerWaalsContact SG-CD1 3.58Å
293G85.9Confident83.3Confident20 Ų2039.6 Ų39.621%0.20621%0.206CC..THydrogen-bonded Turntrans54.3-131.2-17500000111.6G291 G295 D312 S317G291-G293 PolarHBondContact O-N 3.42Å; G291-G293 VanDerWaalsContact O-N 3.11Å; G293-G295 PolarHBondContact O-N 2.86Å; G293-D312 VanDerWaalsContact CA-OD2 3.32Å; G293-D312 WeakPolarHBondContact CA-OD2 3.42Å; G293-D312 PolarHBondContact N-OD2 3.08Å; G293-S317 WeakPolarHBondContact O-CB 3.46Å
294N79.8Confident82.8Confident92 Ų9236.3 Ų36.349%0.49219%0.194SC..THydrogen-bonded Turntrans-7712.7175.7-75.4-75.7000113.9C292 N320 V321C292-N294 PolarHBondContact O-N 2.85Å; N294-N320 PolarHBondContact OD1-ND2 3.48Å; N294-V321 WeakPolarHBondContact O-CG2 3.37Å
295G75.1Confident82.8Confident0 Ų036.3 Ų36.30%020%0.203CC..  trans79.918169.900000115.8C292 G293 N297 S298 L299C292-G295 WeakPolarHBondContact O-CA 3.14Å; C292-G295 PolarHBondContact O-N 3.24Å; G293-G295 PolarHBondContact O-N 2.86Å; G295-N297 PolarHBondContact O-N 2.68Å; G295-S298 PolarHBondContact O-N 3.06Å; G295-L299 WeakPolarHBondContact O-CB 3.37Å; G295-L299 WeakPolarHBondContact O-CD1 3.28Å; G295-L299 VanDerWaalsContact O-CG 3.27Å; G295-L299 WeakPolarHBondContact O-CG 3.25Å; G295-L299 PolarHBondContact O-N 3.28Å
296R66.7Low82.7Confident196 Ų19636.6 Ų36.674%0.7420%0.199SC*.Hα-helixtrans-50.2-45.9-179.4-177-174.174.1-175.21.6112.4
297N72.8Confident82.6Confident34 Ų3435.8 Ų35.818%0.18220%0.199CC..Hα-helixtrans-80.4-49180-50.9-30.4000110.3G295 L299 Y300 L301 L353 T355G295-N297 PolarHBondContact O-N 2.68Å; N297-L299 PolarHBondContact O-N 3.38Å; N297-Y300 WeakPolarHBondContact O-CB 3.47Å; N297-Y300 PolarHBondContact O-N 3.36Å; N297-L301 WeakPolarHBondContact O-CG 3.35Å; N297-L301 PolarHBondContact O-N 3.37Å; N297-L353 HydrophobicContact CB-CD1 3.94Å; N297-T355 PolarHBondContact ND2-OG1 3.43Å
298S81.8Confident82.7Confident0 Ų035.8 Ų35.80%020%0.199CC..Hα-helixtrans-54.9-49.4-179.2-67.80000114D289 C292 G295 Y300 L301 A302 A310D289-S298 VanDerWaalsContact CB-OG 3.28Å; D289-S298 WeakPolarHBondContact CB-OG 3.29Å; D289-S298 PolarHBondContact OD2-N 3.34Å; D289-S298 PolarHBondContact OD2-OG 2.98Å; C292-S298 WeakPolarHBondContact CB-OG 3.29Å; G295-S298 PolarHBondContact O-N 3.06Å; S298-Y300 VanDerWaalsContact C-N 3.32Å; S298-Y300 PolarHBondContact O-N 3.39Å; S298-L301 PolarHBondContact O-N 3.16Å; S298-A302 WeakPolarHBondContact O-CB 3.47Å; S298-A302 PolarHBondContact O-N 3.09Å; S298-A310 WeakPolarHBondContact OG-CB 3.46Å
299L74.6Confident82.7Confident25 Ų2536.8 Ų36.813%0.13120%0.204CC..Hα-helixtrans-62.6-40.7179.1-70.7162.4000111.3G295 N297 A303 V321 I324 L330 L333G295-L299 WeakPolarHBondContact O-CB 3.37Å; G295-L299 WeakPolarHBondContact O-CD1 3.28Å; G295-L299 VanDerWaalsContact O-CG 3.27Å; G295-L299 WeakPolarHBondContact O-CG 3.25Å; G295-L299 PolarHBondContact O-N 3.28Å; N297-L299 PolarHBondContact O-N 3.38Å; L299-A303 VanDerWaalsContact O-CB 3.27Å; L299-A303 WeakPolarHBondContact O-CB 3.47Å; L299-A303 PolarHBondContact O-N 3.26Å; L299-V321 HydrophobicContact CD2-CG1 4.33Å; L299-V321 HydrophobicContact CG-CG1 4.43Å; L299-I324 HydrophobicContact CD1-CB 4.08Å; L299-I324 HydrophobicContact CD1-CD1 3.7Å; L299-I324 HydrophobicContact CD1-CG1 4.5Å; L299-I324 HydrophobicContact CD1-CG2 3.89Å; L299-I324 HydrophobicContact CD2-CB 3.98Å; L299-I324 HydrophobicContact CD2-CG2 3.7Å; L299-I324 HydrophobicContact CG-CG2 4.43Å; L299-L330 HydrophobicContact CD2-CD1 3.78Å; L299-L333 HydrophobicContact CD2-CD2 3.55Å; L299-L333 HydrophobicContact CG-CD2 4.27Å
300Y71.4Confident82.8Confident84 Ų8436.8 Ų36.833%0.32920%0.204SC..Hα-helixtrans-65-47.1176.9174-92.7000111.6Q36 N297 S298 A303 N304Q36-Y300 HydrophobicContact CG-CE2 4.43Å; Q36-Y300 PolarHBondContact OE1-OH 2.88Å; N297-Y300 WeakPolarHBondContact O-CB 3.47Å; N297-Y300 PolarHBondContact O-N 3.36Å; S298-Y300 VanDerWaalsContact C-N 3.32Å; S298-Y300 PolarHBondContact O-N 3.39Å; Y300-A303 PolarHBondContact O-N 3.07Å; Y300-N304 WeakPolarHBondContact CE2-ND2 3.04Å; Y300-N304 PolarHBondContact O-N 2.79Å; Y300-N304 VanDerWaalsContact O-N 3.12Å; Y300-N304 PolarHBondContact O-ND2 2.94Å
301L76.4Confident82.9Confident17 Ų1737.1 Ų37.19%0.08921%0.205CC..Hα-helixtrans-62.6-46179.1-70.1166.7000110.6T287 N297 S298 A303 N304 G305 Y306 V308 F351 L353T287-L301 HydrophobicContact CG2-CD1 4.1Å; N297-L301 WeakPolarHBondContact O-CG 3.35Å; N297-L301 PolarHBondContact O-N 3.37Å; S298-L301 PolarHBondContact O-N 3.16Å; L301-A303 PolarHBondContact O-N 2.9Å; L301-N304 CarbonylContact O-C 3.41Å; L301-N304 PolarHBondContact O-N 2.95Å; L301-G305 PolarHBondContact O-N 3.15Å; L301-Y306 HydrophobicContact CB-CD2 4.24Å; L301-Y306 HydrophobicContact CB-CG 4.14Å; L301-Y306 HydrophobicContact CD2-CD1 4.25Å; L301-Y306 HydrophobicContact CD2-CD2 3.94Å; L301-Y306 HydrophobicContact CD2-CE1 4.21Å; L301-Y306 HydrophobicContact CD2-CE2 3.94Å; L301-Y306 HydrophobicContact CD2-CG 4.1Å; L301-Y306 WeakPolarHBondContact O-CB 3.22Å; L301-Y306 VanDerWaalsContact O-CD2 3.29Å; L301-Y306 WeakPolarHBondContact O-CD2 3.48Å; L301-Y306 PolarHBondContact O-N 3.4Å; L301-Y306 VanDerWaalsContact O-N 3.08Å; L301-V308 HydrophobicContact CB-CG2 3.73Å; L301-F351 HydrophobicContact CD1-CE1 4.23Å; L301-F351 HydrophobicContact CD2-CE1 4.39Å; L301-L353 HydrophobicContact CD1-CD1 3.96Å; L301-L353 HydrophobicContact CD1-CD2 3.97Å
302A83.3Confident83.1Confident3 Ų337.6 Ų37.63%0.02521%0.205CC..Hα-helixtrans-59.7-45.7176.100000111.9S298 N304 G305 V308 L330 N332 L333S298-A302 WeakPolarHBondContact O-CB 3.47Å; S298-A302 PolarHBondContact O-N 3.09Å; A302-N304 PolarHBondContact O-N 3.38Å; A302-N304 VanDerWaalsContact O-N 3.13Å; A302-G305 PolarHBondContact O-N 3.33Å; A302-G305 VanDerWaalsContact O-N 3.11Å; A302-V308 HydrophobicContact CB-CG2 4.09Å; A302-L330 HydrophobicContact CB-CB 4.49Å; A302-L330 HydrophobicContact CB-CD1 4.32Å; A302-L330 HydrophobicContact CB-CD2 4.45Å; A302-N332 PolarHBondContact O-ND2 3.43Å; A302-L333 HydrophobicContact CB-CB 3.9Å; A302-L333 HydrophobicContact CB-CD1 4.43Å; A302-L333 HydrophobicContact CB-CD2 4.49Å
303A75.7Confident83.6Confident66 Ų6643.5 Ų43.555%0.54523%0.23SC..Hα-helixtrans-63.7-18176.300000113.9L299 Y300 L301 L330L299-A303 VanDerWaalsContact O-CB 3.27Å; L299-A303 WeakPolarHBondContact O-CB 3.47Å; L299-A303 PolarHBondContact O-N 3.26Å; Y300-A303 PolarHBondContact O-N 3.07Å; L301-A303 PolarHBondContact O-N 2.9Å; A303-L330 HydrophobicContact CB-CD2 4.1Å
304N69.2Low84Confident57 Ų5745.5 Ų45.531%0.30524%0.236SC..THydrogen-bonded Turntrans-104.822.4177.4-74.9-94.1000112.9Y300 L301 A302 Y306Y300-N304 WeakPolarHBondContact CE2-ND2 3.04Å; Y300-N304 PolarHBondContact O-N 2.79Å; Y300-N304 VanDerWaalsContact O-N 3.12Å; Y300-N304 PolarHBondContact O-ND2 2.94Å; L301-N304 CarbonylContact O-C 3.41Å; L301-N304 PolarHBondContact O-N 2.95Å; A302-N304 PolarHBondContact O-N 3.38Å; A302-N304 VanDerWaalsContact O-N 3.13Å; N304-Y306 HydrophobicContact CB-CD2 4.41Å
305G81.7Confident84.8Confident51 Ų5144 Ų4453%0.52624%0.236SC..THydrogen-bonded Turntrans84.78.1170.400000115.8L301 A302L301-G305 PolarHBondContact O-N 3.15Å; A302-G305 PolarHBondContact O-N 3.33Å; A302-G305 VanDerWaalsContact O-N 3.11Å
306Y88Confident85.7Confident24 Ų2451 Ų519%0.09427%0.271CS..  trans-77.7143.8169.5-65.6-108000109.7V282 K283 P284 T287 L301 N304 N332 F351V282-Y306 HydrophobicContact CG1-CE1 4.3Å; V282-Y306 PolarHBondContact O-OH 3.43Å; K283-Y306 VanDerWaalsContact O-CE1 3.24Å; K283-Y306 WeakPolarHBondContact O-CE1 3.4Å; P284-Y306 HydrophobicContact CB-CD2 4.21Å; P284-Y306 HydrophobicContact CB-CE2 4.22Å; P284-Y306 HydrophobicContact CB-CG 4.41Å; P284-Y306 HydrophobicContact CG-CD2 4.4Å; P284-Y306 HydrophobicContact CG-CE2 4Å; T287-Y306 VanDerWaalsContact OG1-CD1 3.25Å; T287-Y306 WeakPolarHBondContact OG1-CD1 3.24Å; L301-Y306 HydrophobicContact CB-CD2 4.24Å; L301-Y306 HydrophobicContact CB-CG 4.14Å; L301-Y306 HydrophobicContact CD2-CD1 4.25Å; L301-Y306 HydrophobicContact CD2-CD2 3.94Å; L301-Y306 HydrophobicContact CD2-CE1 4.21Å; L301-Y306 HydrophobicContact CD2-CE2 3.94Å; L301-Y306 HydrophobicContact CD2-CG 4.1Å; L301-Y306 WeakPolarHBondContact O-CB 3.22Å; L301-Y306 VanDerWaalsContact O-CD2 3.29Å; L301-Y306 WeakPolarHBondContact O-CD2 3.48Å; L301-Y306 PolarHBondContact O-N 3.4Å; L301-Y306 VanDerWaalsContact O-N 3.08Å; N304-Y306 HydrophobicContact CB-CD2 4.41Å; Y306-N332 PolarHBondContact O-ND2 3.21Å; Y306-F351 HydrophobicContact CE1-CD1 4.34Å
307D95.1Very high86.7Confident61 Ų6142.3 Ų42.333%0.32624%0.24SC..EExtended strand (participates in β ladder)trans-90.1109.4169.9177.2-7.4000107.6G285 K286 T287 H334G285-D307 PolarHBondContact O-N 3.41Å; G285-D307 VanDerWaalsContact O-N 3.15Å; K286-D307 CarbonylContact C-O 3.58Å; K286-D307 WeakPolarHBondContact CA-O 3.47Å; T287-D307 WeakPolarHBondContact CA-O 3.44Å; T287-D307 PolarHBondContact N-O 3.49Å; D307-H334 IonicContact OD1-CD2 3.72Å; D307-H334 PolarHBondContact OD1-CD2 3.01Å; D307-H334 VanDerWaalsContact OD1-CD2 3.23Å; D307-H334 IonicContact OD1-NE2 3.42Å; D307-H334 PolarHBondContact OD1-NE2 3.46Å
308V94.8Very high87.8Confident0 Ų041.1 Ų41.10%023%0.233CC..EExtended strand (participates in β ladder)trans-114.5117.2-162.9-173.80000112.2T287 L301 A302 A310 N332 L333 H334T287-V308 CarbonylContact O-C 3.51Å; T287-V308 WeakPolarHBondContact O-CA 3.23Å; L301-V308 HydrophobicContact CB-CG2 3.73Å; A302-V308 HydrophobicContact CB-CG2 4.09Å; V308-A310 HydrophobicContact CG1-CB 4.37Å; V308-N332 PolarHBondContact N-O 3.28Å; V308-L333 HydrophobicContact CB-CD1 3.9Å; V308-L333 HydrophobicContact CG1-CD1 3.98Å; V308-L333 CarbonylContact O-C 3.54Å; V308-H334 PolarHBondContact O-N 2.88Å
309D97.8Very high88.5Confident21 Ų2144 Ų4411%0.11226%0.257CS..EExtended strand (participates in β ladder)trans-83.2112160.3-78.7-45.8000109.7T287 L288 D289 W311 H334 Y349T287-D309 PolarHBondContact O-N 3.4Å; L288-D309 WeakPolarHBondContact CA-O 3.28Å; L288-D309 HydrophobicContact CD1-CB 3.62Å; D289-D309 PolarHBondContact N-O 2.9Å; D309-W311 HydrophobicContact CB-CZ2 4.17Å; D309-H334 CarbonylContact C-O 3.57Å; D309-H334 WeakPolarHBondContact CA-O 3.44Å; D309-H334 WeakPolarHBondContact OD1-CB 3.33Å; D309-Y349 HydrophobicContact CB-CE1 4.25Å; D309-Y349 WeakPolarHBondContact OD2-CE1 3.36Å; D309-Y349 PolarHBondContact OD2-OH 3.18Å
310A94.8Very high89Confident0 Ų045 Ų450%026%0.263CS..EExtended strand (participates in β ladder)trans-112.8105.6-174.500000111.9C292 S298 V308 L333 H334 T335 R336C292-A310 HydrophobicContact CB-CB 4.09Å; S298-A310 WeakPolarHBondContact OG-CB 3.46Å; V308-A310 HydrophobicContact CG1-CB 4.37Å; A310-L333 HydrophobicContact CB-CD1 3.7Å; A310-H334 PolarHBondContact N-O 3.26Å; A310-T335 HydrophobicContact CB-CG2 4.37Å; A310-T335 VanDerWaalsContact O-CA 3.26Å; A310-T335 WeakPolarHBondContact O-CA 3.23Å; A310-R336 PolarHBondContact O-N 3.06Å; A310-R336 VanDerWaalsContact O-N 3.1Å
311W98Very high89.8Confident7 Ų741 Ų413%0.02725%0.247CC..EExtended strand (participates in β ladder)trans-118.8134-166.5-66.40.6000112L288 D289 L290 G291 C292 D309 R336 V338 L343 F345L288-W311 HydrophobicContact CD1-CD2 3.64Å; L288-W311 HydrophobicContact CD1-CE3 3.68Å; L288-W311 HydrophobicContact CD1-CG 4.28Å; L288-W311 HydrophobicContact CD1-CH2 3.75Å; L288-W311 HydrophobicContact CD1-CZ2 3.73Å; L288-W311 HydrophobicContact CD1-CZ3 3.72Å; L288-W311 HydrophobicContact CD2-CH2 4.37Å; L288-W311 HydrophobicContact CD2-CZ3 4.17Å; D289-W311 PolarHBondContact O-N 3.13Å; L290-W311 HydrophobicContact CD2-CE3 3.82Å; L290-W311 HydrophobicContact CD2-CZ3 4.24Å; G291-W311 CarbonylContact C-O 3.53Å; G291-W311 WeakPolarHBondContact CA-O 3.34Å; G291-W311 PolarHBondContact N-O 3.33Å; C292-W311 PolarHBondContact N-O 2.95Å; D309-W311 HydrophobicContact CB-CZ2 4.17Å; W311-R336 WeakPolarHBondContact CA-O 3.3Å; W311-R336 HydrophobicContact CG-CB 4.23Å; W311-V338 HydrophobicContact CB-CG2 3.65Å; W311-V338 HydrophobicContact CD2-CG2 4.46Å; W311-V338 HydrophobicContact CE3-CG2 4.36Å; W311-V338 HydrophobicContact CG-CG2 4.19Å; W311-L343 HydrophobicContact CE3-CD2 3.6Å; W311-L343 HydrophobicContact CZ3-CD2 3.69Å; W311-F345 HydrophobicContact CH2-CB 3.69Å; W311-F345 HydrophobicContact CH2-CG 4.12Å; W311-F345 HydrophobicContact CZ3-CB 3.73Å; W311-F345 AromaticContact CZ3-CD1 3.85Å; W311-F345 HydrophobicContact CZ3-CD1 3.85Å; W311-F345 AromaticContact CZ3-CG 3.84Å; W311-F345 HydrophobicContact CZ3-CG 3.84Å
312D96.3Very high90.7Very high22 Ų2243.4 Ų43.412%0.11826%0.258CS..EExtended strand (participates in β ladder)trans-152.4156.1176.4-159.6-76.8000111.3G291 C292 G293 N314 I318 R336 V337 V338G291-D312 VanDerWaalsContact C-OD2 3.26Å; G291-D312 WeakPolarHBondContact CA-OD2 3.28Å; C292-D312 PolarHBondContact N-OD2 3.48Å; G293-D312 VanDerWaalsContact CA-OD2 3.32Å; G293-D312 WeakPolarHBondContact CA-OD2 3.42Å; G293-D312 PolarHBondContact N-OD2 3.08Å; D312-N314 WeakPolarHBondContact OD1-CB 3.45Å; D312-N314 PolarHBondContact OD1-N 3.34Å; D312-I318 HydrophobicContact CB-CD1 3.78Å; D312-I318 HydrophobicContact CB-CG1 4.03Å; D312-R336 PolarHBondContact N-O 3.07Å; D312-V337 CarbonylContact O-C 3.46Å; D312-V337 WeakPolarHBondContact O-CA 3.38Å; D312-V338 CarbonylContact C-O 3.36Å; D312-V338 PolarHBondContact O-N 2.96Å
313K96.8Very high91.1Very high133 Ų13349.3 Ų49.358%0.57828%0.279SS*.SBendtrans-78.2-22.2175.769.9177.3-177.3-179.70113.1A315 V338K313-A315 PolarHBondContact O-N 3.18Å; K313-V338 WeakPolarHBondContact CA-O 3.44Å; K313-V338 WeakPolarHBondContact CB-O 3.37Å; K313-V338 PolarHBondContact N-O 3.4Å; K313-V338 VanDerWaalsContact N-O 3.17Å
314N93.5Very high91.3Very high62 Ų6248.1 Ų48.133%0.33226%0.264SS..  trans-86.5103.4-175.1-172-21.1000111D312 M316 S317 I318D312-N314 WeakPolarHBondContact OD1-CB 3.45Å; D312-N314 PolarHBondContact OD1-N 3.34Å; N314-M316 PolarHBondContact O-N 3.04Å; N314-M316 WeakPolarHBondContact OD1-CB 3.3Å; N314-M316 PolarHBondContact OD1-N 2.87Å; N314-S317 PolarHBondContact ND2-OG 3.25Å; N314-S317 WeakPolarHBondContact O-CB 3.13Å; N314-S317 PolarHBondContact O-N 3.17Å; N314-S317 PolarHBondContact OD1-N 3.41Å; N314-I318 PolarHBondContact O-N 2.95Å; N314-I318 VanDerWaalsContact O-N 3.09Å
315A96.5Very high92.4Very high60 Ų6047.3 Ų47.350%0.49626%0.257SS..Hα-helixtrans-57.1-33.4178.800000113.8K313 A319 V337K313-A315 PolarHBondContact O-N 3.18Å; A315-A319 WeakPolarHBondContact O-CB 3.45Å; A315-A319 PolarHBondContact O-N 3.06Å; A315-V337 HydrophobicContact CB-CG1 4.43Å; A315-V337 HydrophobicContact CB-CG2 4.22Å
316M94.5Very high92.8Very high149 Ų14949.1 Ų49.173%0.73426%0.262SS*.Hα-helixtrans-68.8-38.6177-66-178-73.400111.7N314 A319 N320N314-M316 PolarHBondContact O-N 3.04Å; N314-M316 WeakPolarHBondContact OD1-CB 3.3Å; N314-M316 PolarHBondContact OD1-N 2.87Å; M316-A319 PolarHBondContact O-N 3.16Å; M316-N320 PolarHBondContact O-N 3.29Å; M316-N320 VanDerWaalsContact O-N 3.07Å
317S87.5Confident92.7Very high12 Ų1252.7 Ų52.78%0.08428%0.282CS..Hα-helixtrans-66-45.6176.9-60.50000111G293 N314 A319 N320 V321G293-S317 WeakPolarHBondContact O-CB 3.46Å; N314-S317 PolarHBondContact ND2-OG 3.25Å; N314-S317 WeakPolarHBondContact O-CB 3.13Å; N314-S317 PolarHBondContact O-N 3.17Å; N314-S317 PolarHBondContact OD1-N 3.41Å; S317-A319 PolarHBondContact O-N 3.26Å; S317-N320 WeakPolarHBondContact O-CB 3.3Å; S317-N320 PolarHBondContact O-N 2.62Å; S317-N320 VanDerWaalsContact O-N 3.17Å; S317-V321 WeakPolarHBondContact O-CG2 3.27Å; S317-V321 PolarHBondContact O-N 3.46Å
318I97.4Very high92.1Very high9 Ų954.3 Ų54.35%0.04629%0.287CS..Hα-helixtrans-60.8-42.9174.4-65.9-59.9000112C292 D312 N314 N320 V321 E322 T335 V337C292-I318 VanDerWaalsContact SG-CD1 3.58Å; D312-I318 HydrophobicContact CB-CD1 3.78Å; D312-I318 HydrophobicContact CB-CG1 4.03Å; N314-I318 PolarHBondContact O-N 2.95Å; N314-I318 VanDerWaalsContact O-N 3.09Å; I318-N320 VanDerWaalsContact C-N 3.27Å; I318-N320 PolarHBondContact O-N 3.35Å; I318-V321 WeakPolarHBondContact O-CB 3.42Å; I318-V321 PolarHBondContact O-N 3.38Å; I318-E322 PolarHBondContact O-N 2.61Å; I318-T335 WeakPolarHBondContact CG2-OG1 3.47Å; I318-V337 HydrophobicContact CB-CG2 3.93Å; I318-V337 HydrophobicContact CG1-CG2 3.94Å; I318-V337 HydrophobicContact CG2-CG2 3.95Å
319A95Very high91.9Very high61 Ų6160.3 Ų60.350%0.50432%0.319SS..Hα-helixtrans-60-37.2175.800000112.5A315 M316 S317 R323A315-A319 WeakPolarHBondContact O-CB 3.45Å; A315-A319 PolarHBondContact O-N 3.06Å; M316-A319 PolarHBondContact O-N 3.16Å; S317-A319 PolarHBondContact O-N 3.26Å; A319-R323 WeakPolarHBondContact O-CB 3.35Å; A319-R323 PolarHBondContact O-N 3.47Å
320N85.8Confident91.5Very high47 Ų4760.2 Ų60.225%0.25132%0.319SS..Hα-helixtrans-68.3-37174.1-174.844.3000112.2N294 M316 S317 I318 R323 I324N294-N320 PolarHBondContact OD1-ND2 3.48Å; M316-N320 PolarHBondContact O-N 3.29Å; M316-N320 VanDerWaalsContact O-N 3.07Å; S317-N320 WeakPolarHBondContact O-CB 3.3Å; S317-N320 PolarHBondContact O-N 2.62Å; S317-N320 VanDerWaalsContact O-N 3.17Å; I318-N320 VanDerWaalsContact C-N 3.27Å; I318-N320 PolarHBondContact O-N 3.35Å; N320-R323 PolarHBondContact O-N 3.34Å; N320-R323 PolarHBondContact OD1-NE 2.77Å; N320-R323 PolarHBondContact OD1-NH2 3.26Å; N320-I324 WeakPolarHBondContact O-CG1 3.5Å; N320-I324 PolarHBondContact O-N 3.13Å; N320-I324 VanDerWaalsContact O-N 3.12Å
321V88.4Confident91.5Very high0 Ų066.7 Ų66.70%035%0.353CS..Hα-helixtrans-63.4-48.4173.7179.80000111.1N294 L299 S317 I318 R323 I324 K325 L333 T335N294-V321 WeakPolarHBondContact O-CG2 3.37Å; L299-V321 HydrophobicContact CD2-CG1 4.33Å; L299-V321 HydrophobicContact CG-CG1 4.43Å; S317-V321 WeakPolarHBondContact O-CG2 3.27Å; S317-V321 PolarHBondContact O-N 3.46Å; I318-V321 WeakPolarHBondContact O-CB 3.42Å; I318-V321 PolarHBondContact O-N 3.38Å; V321-R323 VanDerWaalsContact C-N 3.3Å; V321-R323 PolarHBondContact O-N 2.95Å; V321-I324 PolarHBondContact O-N 3.11Å; V321-I324 VanDerWaalsContact O-N 3.14Å; V321-K325 WeakPolarHBondContact O-CB 3.46Å; V321-K325 PolarHBondContact O-N 3.4Å; V321-L333 HydrophobicContact CG1-CD2 3.86Å; V321-T335 HydrophobicContact CB-CG2 4.19Å; V321-T335 HydrophobicContact CG1-CG2 3.61Å
322E95.4Very high91.3Very high66 Ų6668.4 Ų68.431%0.30836%0.363SS..Hα-helixtrans-60.6-38176.9-78.7-66.8152.200112.3I318 I324 K325 S326 T335I318-E322 PolarHBondContact O-N 2.61Å; E322-I324 PolarHBondContact O-N 3.08Å; E322-K325 WeakPolarHBondContact O-CB 3.38Å; E322-K325 PolarHBondContact O-N 3.47Å; E322-K325 IonicContact OE1-NZ 3.28Å; E322-K325 PolarHBondContact OE1-NZ 2.81Å; E322-K325 WeakPolarHBondContact OE2-CD 3.4Å; E322-K325 IonicContact OE2-NZ 3.47Å; E322-K325 PolarHBondContact OE2-NZ 3.03Å; E322-S326 WeakPolarHBondContact O-CB 3.26Å; E322-S326 PolarHBondContact O-N 3.19Å; E322-T335 VanDerWaalsContact CD-OG1 3.27Å; E322-T335 HydrophobicContact CG-CG2 4.07Å; E322-T335 WeakPolarHBondContact CG-OG1 3.14Å; E322-T335 WeakPolarHBondContact OE1-CB 3.49Å; E322-T335 VanDerWaalsContact OE1-CG2 3.24Å; E322-T335 WeakPolarHBondContact OE1-CG2 3.3Å; E322-T335 PolarHBondContact OE1-OG1 3.31Å
323R91Very high91.2Very high128 Ų12867.4 Ų67.448%0.48336%0.358SS..Hα-helixtrans-59.6-46.9173.2-174.3-166.462.774.43.3111.6A319 N320 V321 I327A319-R323 WeakPolarHBondContact O-CB 3.35Å; A319-R323 PolarHBondContact O-N 3.47Å; N320-R323 PolarHBondContact O-N 3.34Å; N320-R323 PolarHBondContact OD1-NE 2.77Å; N320-R323 PolarHBondContact OD1-NH2 3.26Å; V321-R323 VanDerWaalsContact C-N 3.3Å; V321-R323 PolarHBondContact O-N 2.95Å; R323-I327 HydrophobicContact CG-CD1 4.22Å; R323-I327 WeakPolarHBondContact O-CD1 3.43Å; R323-I327 VanDerWaalsContact O-CG1 3.31Å; R323-I327 WeakPolarHBondContact O-CG1 3.41Å; R323-I327 PolarHBondContact O-N 3.15Å
324I79.9Confident91.3Very high41 Ų4164.8 Ų64.821%0.2135%0.347CS..Hα-helixtrans-69.1-43.4179.6-61.3165.5000110.4L299 N320 V321 E322 S326 I327 E328L299-I324 HydrophobicContact CD1-CB 4.08Å; L299-I324 HydrophobicContact CD1-CD1 3.7Å; L299-I324 HydrophobicContact CD1-CG1 4.5Å; L299-I324 HydrophobicContact CD1-CG2 3.89Å; L299-I324 HydrophobicContact CD2-CB 3.98Å; L299-I324 HydrophobicContact CD2-CG2 3.7Å; L299-I324 HydrophobicContact CG-CG2 4.43Å; N320-I324 WeakPolarHBondContact O-CG1 3.5Å; N320-I324 PolarHBondContact O-N 3.13Å; N320-I324 VanDerWaalsContact O-N 3.12Å; V321-I324 PolarHBondContact O-N 3.11Å; V321-I324 VanDerWaalsContact O-N 3.14Å; E322-I324 PolarHBondContact O-N 3.08Å; I324-S326 VanDerWaalsContact C-N 3.27Å; I324-S326 PolarHBondContact O-N 3.19Å; I324-I327 PolarHBondContact O-N 3.33Å; I324-E328 HydrophobicContact CG2-CG 4.03Å; I324-E328 PolarHBondContact O-N 3Å
325K92.2Very high91.5Very high39 Ų3963.1 Ų63.117%0.1734%0.339CS..Hα-helixtrans-50.7-46.4174177.6-172.8160.5-1760112V321 E322 E328 N329 L330 L333V321-K325 WeakPolarHBondContact O-CB 3.46Å; V321-K325 PolarHBondContact O-N 3.4Å; E322-K325 WeakPolarHBondContact O-CB 3.38Å; E322-K325 PolarHBondContact O-N 3.47Å; E322-K325 IonicContact OE1-NZ 3.28Å; E322-K325 PolarHBondContact OE1-NZ 2.81Å; E322-K325 WeakPolarHBondContact OE2-CD 3.4Å; E322-K325 IonicContact OE2-NZ 3.47Å; E322-K325 PolarHBondContact OE2-NZ 3.03Å; K325-E328 PolarHBondContact O-N 2.82Å; K325-N329 WeakPolarHBondContact O-CA 3.39Å; K325-N329 PolarHBondContact O-N 3.42Å; K325-L330 WeakPolarHBondContact CE-O 3.18Å; K325-L330 HydrophobicContact CG-CB 4.1Å; K325-L330 WeakPolarHBondContact CG-O 3.14Å; K325-L330 PolarHBondContact O-N 3.37Å; K325-L330 VanDerWaalsContact O-N 3.11Å; K325-L333 HydrophobicContact CB-CD2 4.08Å; K325-L333 HydrophobicContact CD-CB 4.15Å; K325-L333 HydrophobicContact CD-CD2 4.44Å; K325-L333 HydrophobicContact CD-CG 4.26Å; K325-L333 VanDerWaalsContact CD-O 3.28Å; K325-L333 WeakPolarHBondContact CD-O 3.43Å; K325-L333 WeakPolarHBondContact CE-O 3.1Å; K325-L333 HydrophobicContact CG-CB 4.26Å; K325-L333 HydrophobicContact CG-CD2 4.26Å; K325-L333 PolarHBondContact NZ-O 3.01Å
326S90.8Very high91.5Very high90 Ų9066.4 Ų66.463%0.62934%0.339SS*.Hα-helixtrans-68.2-31.9178.4178.60000113.4E322 I324E322-S326 WeakPolarHBondContact O-CB 3.26Å; E322-S326 PolarHBondContact O-N 3.19Å; I324-S326 VanDerWaalsContact C-N 3.27Å; I324-S326 PolarHBondContact O-N 3.19Å
327I85.8Confident91.7Very high99 Ų9963.2 Ų63.251%0.50833%0.328SS..Hα-helixtrans-73.7-39.1177.5-68.9164.4000110.5R323 I324R323-I327 HydrophobicContact CG-CD1 4.22Å; R323-I327 WeakPolarHBondContact O-CD1 3.43Å; R323-I327 VanDerWaalsContact O-CG1 3.31Å; R323-I327 WeakPolarHBondContact O-CG1 3.41Å; R323-I327 PolarHBondContact O-N 3.15Å; I324-I327 PolarHBondContact O-N 3.33Å
328E82.9Confident92.1Very high95 Ų9563.4 Ų63.444%0.44433%0.328SS..Hα-helixtrans-93.3-1.7-174.5-60.9-59.1152.200113.9I324 K325 L330I324-E328 HydrophobicContact CG2-CG 4.03Å; I324-E328 PolarHBondContact O-N 3Å; K325-E328 PolarHBondContact O-N 2.82Å; E328-L330 HydrophobicContact CB-CD1 4.07Å; E328-L330 HydrophobicContact CB-CG 3.89Å; E328-L330 PolarHBondContact O-N 3.35Å
329N90.4Very high92.1Very high126 Ų12666.1 Ų66.167%0.67434%0.343SS*.THydrogen-bonded Turntrans52.948.4-175.9-59-57.6000113.3K325 D331K325-N329 WeakPolarHBondContact O-CA 3.39Å; K325-N329 PolarHBondContact O-N 3.42Å; N329-D331 PolarHBondContact O-N 3.5Å
330L88.8Confident92.2Very high19 Ų1963.7 Ų63.710%0.09932%0.321CS..  trans-87.976.5179.2-62.7173.2000110.9L299 A302 A303 K325 E328 N332 L333L299-L330 HydrophobicContact CD2-CD1 3.78Å; A302-L330 HydrophobicContact CB-CB 4.49Å; A302-L330 HydrophobicContact CB-CD1 4.32Å; A302-L330 HydrophobicContact CB-CD2 4.45Å; A303-L330 HydrophobicContact CB-CD2 4.1Å; K325-L330 WeakPolarHBondContact CE-O 3.18Å; K325-L330 HydrophobicContact CG-CB 4.1Å; K325-L330 WeakPolarHBondContact CG-O 3.14Å; K325-L330 PolarHBondContact O-N 3.37Å; K325-L330 VanDerWaalsContact O-N 3.11Å; E328-L330 HydrophobicContact CB-CD1 4.07Å; E328-L330 HydrophobicContact CB-CG 3.89Å; E328-L330 PolarHBondContact O-N 3.35Å; L330-N332 PolarHBondContact O-N 2.91Å; L330-L333 HydrophobicContact CB-CB 4.13Å; L330-L333 HydrophobicContact CD1-CD2 4.37Å; L330-L333 WeakPolarHBondContact O-CB 3.31Å; L330-L333 PolarHBondContact O-N 2.98Å
331D94.4Very high92.6Very high135 Ų13562.9 Ų62.972%0.72232%0.317SS*.THydrogen-bonded Turntrans-65-22.3-177.9-67.4-26.1000113.5N329 L333 H334N329-D331 PolarHBondContact O-N 3.5Å; D331-L333 VanDerWaalsContact C-N 3.28Å; D331-L333 PolarHBondContact O-N 3.26Å; D331-H334 PolarHBondContact O-CE1 3.43Å
332N93.7Very high92.9Very high44 Ų4469.6 Ų69.624%0.23535%0.353CS..THydrogen-bonded Turntrans-8718176.163.4-33.9000113.9A302 Y306 V308 L330A302-N332 PolarHBondContact O-ND2 3.43Å; Y306-N332 PolarHBondContact O-ND2 3.21Å; V308-N332 PolarHBondContact N-O 3.28Å; L330-N332 PolarHBondContact O-N 2.91Å
333L95.4Very high92.8Very high0 Ų068 Ų680%035%0.346CS..EExtended strand (participates in β ladder)trans-117.6117.3175.4178.559.4000110.2L299 A302 V308 A310 V321 K325 L330 D331 T335L299-L333 HydrophobicContact CD2-CD2 3.55Å; L299-L333 HydrophobicContact CG-CD2 4.27Å; A302-L333 HydrophobicContact CB-CB 3.9Å; A302-L333 HydrophobicContact CB-CD1 4.43Å; A302-L333 HydrophobicContact CB-CD2 4.49Å; V308-L333 HydrophobicContact CB-CD1 3.9Å; V308-L333 HydrophobicContact CG1-CD1 3.98Å; V308-L333 CarbonylContact O-C 3.54Å; A310-L333 HydrophobicContact CB-CD1 3.7Å; V321-L333 HydrophobicContact CG1-CD2 3.86Å; K325-L333 HydrophobicContact CB-CD2 4.08Å; K325-L333 HydrophobicContact CD-CB 4.15Å; K325-L333 HydrophobicContact CD-CD2 4.44Å; K325-L333 HydrophobicContact CD-CG 4.26Å; K325-L333 VanDerWaalsContact CD-O 3.28Å; K325-L333 WeakPolarHBondContact CD-O 3.43Å; K325-L333 WeakPolarHBondContact CE-O 3.1Å; K325-L333 HydrophobicContact CG-CB 4.26Å; K325-L333 HydrophobicContact CG-CD2 4.26Å; K325-L333 PolarHBondContact NZ-O 3.01Å; L330-L333 HydrophobicContact CB-CB 4.13Å; L330-L333 HydrophobicContact CD1-CD2 4.37Å; L330-L333 WeakPolarHBondContact O-CB 3.31Å; L330-L333 PolarHBondContact O-N 2.98Å; D331-L333 VanDerWaalsContact C-N 3.28Å; D331-L333 PolarHBondContact O-N 3.26Å; L333-T335 HydrophobicContact CG-CG2 4.45Å
334H97.8Very high92.9Very high78 Ų7867 Ų6736%0.36135%0.354SS..EExtended strand (participates in β ladder)trans-116.5107.4-174.2-54.2-63.3000110.1D307 V308 D309 A310 D331D307-H334 IonicContact OD1-CD2 3.72Å; D307-H334 PolarHBondContact OD1-CD2 3.01Å; D307-H334 VanDerWaalsContact OD1-CD2 3.23Å; D307-H334 IonicContact OD1-NE2 3.42Å; D307-H334 PolarHBondContact OD1-NE2 3.46Å; V308-H334 PolarHBondContact O-N 2.88Å; D309-H334 CarbonylContact C-O 3.57Å; D309-H334 WeakPolarHBondContact CA-O 3.44Å; D309-H334 WeakPolarHBondContact OD1-CB 3.33Å; A310-H334 PolarHBondContact N-O 3.26Å; D331-H334 PolarHBondContact O-CE1 3.43Å
335T97.8Very high93.7Very high27 Ų2765.4 Ų65.417%0.16635%0.346CS..EExtended strand (participates in β ladder)trans-95.6147.9-176.776.20000112.9A310 I318 V321 E322 L333A310-T335 HydrophobicContact CB-CG2 4.37Å; A310-T335 VanDerWaalsContact O-CA 3.26Å; A310-T335 WeakPolarHBondContact O-CA 3.23Å; I318-T335 WeakPolarHBondContact CG2-OG1 3.47Å; V321-T335 HydrophobicContact CB-CG2 4.19Å; V321-T335 HydrophobicContact CG1-CG2 3.61Å; E322-T335 VanDerWaalsContact CD-OG1 3.27Å; E322-T335 HydrophobicContact CG-CG2 4.07Å; E322-T335 WeakPolarHBondContact CG-OG1 3.14Å; E322-T335 WeakPolarHBondContact OE1-CB 3.49Å; E322-T335 VanDerWaalsContact OE1-CG2 3.24Å; E322-T335 WeakPolarHBondContact OE1-CG2 3.3Å; E322-T335 PolarHBondContact OE1-OG1 3.31Å; L333-T335 HydrophobicContact CG-CG2 4.45Å
336R97.6Very high93.8Very high129 Ų12969.3 Ų69.349%0.48737%0.369SS..EExtended strand (participates in β ladder)trans-143.7140.4170.9-63.9177.961.2-165.3-0.7111.6A310 W311 D312 V338A310-R336 PolarHBondContact O-N 3.06Å; A310-R336 VanDerWaalsContact O-N 3.1Å; W311-R336 WeakPolarHBondContact CA-O 3.3Å; W311-R336 HydrophobicContact CG-CB 4.23Å; D312-R336 PolarHBondContact N-O 3.07Å; R336-V338 HydrophobicContact CB-CG1 3.95Å
337V97.9Very high93.8Very high82 Ų8267 Ų6750%0.49736%0.359SS..EExtended strand (participates in β ladder)trans-85114.4167.5-176.40000108.8D312 A315 I318D312-V337 CarbonylContact O-C 3.46Å; D312-V337 WeakPolarHBondContact O-CA 3.38Å; A315-V337 HydrophobicContact CB-CG1 4.43Å; A315-V337 HydrophobicContact CB-CG2 4.22Å; I318-V337 HydrophobicContact CB-CG2 3.93Å; I318-V337 HydrophobicContact CG1-CG2 3.94Å; I318-V337 HydrophobicContact CG2-CG2 3.95Å
338V96.9Very high94.2Very high17 Ų1768.2 Ų68.210%0.10336%0.363CS..  trans-143.3148.2-176.9-58.30000112.2W311 D312 K313 R336 L340 L343W311-V338 HydrophobicContact CB-CG2 3.65Å; W311-V338 HydrophobicContact CD2-CG2 4.46Å; W311-V338 HydrophobicContact CE3-CG2 4.36Å; W311-V338 HydrophobicContact CG-CG2 4.19Å; D312-V338 CarbonylContact C-O 3.36Å; D312-V338 PolarHBondContact O-N 2.96Å; K313-V338 WeakPolarHBondContact CA-O 3.44Å; K313-V338 WeakPolarHBondContact CB-O 3.37Å; K313-V338 PolarHBondContact N-O 3.4Å; K313-V338 VanDerWaalsContact N-O 3.17Å; R336-V338 HydrophobicContact CB-CG1 3.95Å; V338-L340 HydrophobicContact CG2-CD2 4.21Å; V338-L343 HydrophobicContact CB-CD2 4.28Å; V338-L343 HydrophobicContact CG2-CD2 3.95Å
339D96.6Very high94.9Very high66 Ų6664 Ų6435%0.35334%0.343SS..  trans-97.5111.2169.1176.219.2000110.3N341 N342 L343D339-N341 PolarHBondContact O-N 2.77Å; D339-N341 WeakPolarHBondContact OD1-CB 3.41Å; D339-N341 PolarHBondContact OD1-N 2.81Å; D339-N341 VanDerWaalsContact OD1-N 3.07Å; D339-N341 PolarHBondContact OD1-ND2 2.72Å; D339-N341 VanDerWaalsContact OD1-ND2 3.09Å; D339-N342 PolarHBondContact O-N 3.47Å; D339-N342 VanDerWaalsContact O-N 3.07Å; D339-N342 PolarHBondContact OD2-ND2 3.25Å; D339-L343 WeakPolarHBondContact O-CB 3.38Å; D339-L343 PolarHBondContact O-N 3.3Å
340L96.2Very high95.1Very high9 Ų960.2 Ų60.25%0.04732%0.323CS..G310 helixtrans-63-19.8-178.9-61.6-179000113.5L290 V338 N342 L343 V357 L361 T365L290-L340 HydrophobicContact CB-CD1 4.17Å; L290-L340 HydrophobicContact CB-CD2 4.49Å; L290-L340 HydrophobicContact CD2-CD2 3.79Å; V338-L340 HydrophobicContact CG2-CD2 4.21Å; L340-N342 PolarHBondContact O-N 3.02Å; L340-L343 HydrophobicContact CD2-CD2 3.72Å; L340-V357 HydrophobicContact CD1-CG1 3.88Å; L340-L361 HydrophobicContact CB-CD1 3.93Å; L340-L361 HydrophobicContact CB-CD2 3.81Å; L340-L361 HydrophobicContact CD1-CD1 4.17Å; L340-L361 HydrophobicContact CD1-CD2 4.35Å; L340-T365 WeakPolarHBondContact O-CG2 3.43Å
341N95.5Very high95.3Very high31 Ų3160 Ų6017%0.16632%0.321CS..G310 helixtrans-68.6-22.6174.9-66.2-66.4000113.3D339 E362 T365D339-N341 PolarHBondContact O-N 2.77Å; D339-N341 WeakPolarHBondContact OD1-CB 3.41Å; D339-N341 PolarHBondContact OD1-N 2.81Å; D339-N341 VanDerWaalsContact OD1-N 3.07Å; D339-N341 PolarHBondContact OD1-ND2 2.72Å; D339-N341 VanDerWaalsContact OD1-ND2 3.09Å; N341-E362 PolarHBondContact OD1-N 3.42Å; N341-T365 PolarHBondContact OD1-OG1 3.01Å; N341-T365 VanDerWaalsContact OD1-OG1 3.06Å
342N94.3Very high95.3Very high140 Ų14053.5 Ų53.575%0.74929%0.286SS*.G310 helixtrans-125.724.8-174.6-65-62.9000111.8D339 L340D339-N342 PolarHBondContact O-N 3.47Å; D339-N342 VanDerWaalsContact O-N 3.07Å; D339-N342 PolarHBondContact OD2-ND2 3.25Å; L340-N342 PolarHBondContact O-N 3.02Å
343L92.8Very high95.3Very high33 Ų3351.6 Ų51.617%0.17328%0.276CS..  trans-110.2130.6-174.7-173.566.9000112W311 V338 D339 L340 F345W311-L343 HydrophobicContact CE3-CD2 3.6Å; W311-L343 HydrophobicContact CZ3-CD2 3.69Å; V338-L343 HydrophobicContact CB-CD2 4.28Å; V338-L343 HydrophobicContact CG2-CD2 3.95Å; D339-L343 WeakPolarHBondContact O-CB 3.38Å; D339-L343 PolarHBondContact O-N 3.3Å; L340-L343 HydrophobicContact CD2-CD2 3.72Å; L343-F345 HydrophobicContact CD2-CD1 4.17Å; L343-F345 HydrophobicContact CG-CD1 4.32Å
344T93.8Very high95.1Very high106 Ų10651.6 Ų51.665%0.6528%0.276SS*.  trans-120133.3157.3-60.40000107.3N372T344-N372 WeakPolarHBondContact CG2-ND2 3.32Å
345F96.3Very high94.4Very high9 Ų949.1 Ų49.14%0.03927%0.266CS..  trans-121.5158.517355.4-89.9000110.4L288 L290 W311 L343 Y349 L369 N372 M373 R375 C376L288-F345 HydrophobicContact CD2-CD2 3.89Å; L288-F345 HydrophobicContact CD2-CE1 4.33Å; L288-F345 HydrophobicContact CD2-CE2 3.57Å; L288-F345 HydrophobicContact CD2-CG 4.4Å; L288-F345 HydrophobicContact CD2-CZ 3.82Å; L290-F345 HydrophobicContact CD1-CE1 4.25Å; L290-F345 HydrophobicContact CD1-CZ 4.22Å; L290-F345 HydrophobicContact CD2-CE1 4.18Å; W311-F345 HydrophobicContact CH2-CB 3.69Å; W311-F345 HydrophobicContact CH2-CG 4.12Å; W311-F345 HydrophobicContact CZ3-CB 3.73Å; W311-F345 AromaticContact CZ3-CD1 3.85Å; W311-F345 HydrophobicContact CZ3-CD1 3.85Å; W311-F345 AromaticContact CZ3-CG 3.84Å; W311-F345 HydrophobicContact CZ3-CG 3.84Å; L343-F345 HydrophobicContact CD2-CD1 4.17Å; L343-F345 HydrophobicContact CG-CD1 4.32Å; F345-Y349 HydrophobicContact CD2-CE2 4.47Å; F345-L369 HydrophobicContact CE1-CD1 3.88Å; F345-N372 HydrophobicContact CE1-CB 4.41Å; F345-N372 HydrophobicContact CZ-CB 4.25Å; F345-N372 PolarHBondContact N-ND2 3.45Å; F345-N372 VanDerWaalsContact N-ND2 3.11Å; F345-N372 PolarHBondContact O-ND2 2.9Å; F345-N372 PolarHBondContact O-OD1 3.13Å; F345-M373 HydrophobicContact CZ-CG 4.07Å; F345-R375 PolarHBondContact O-NH2 3.13Å; F345-C376 HydrophobicContact CD2-CB 4.15Å; F345-C376 HydrophobicContact CE2-CB 3.82Å
346D94Very high93.7Very high120 Ų12051.1 Ų51.164%0.64228%0.278SS*.  trans-128.8171175-65.4-51.1000109.1R375D346-R375 IonicContact OD1-NH2 3.35Å; D346-R375 PolarHBondContact OD1-NH2 3.29Å
347G90.6Very high93.3Very high41 Ų4145.9 Ų45.942%0.42326%0.26SS..SBendtrans115.3-179.7-177.100000112.2C376G347-C376 WeakPolarHBondContact O-CA 3.38Å; G347-C376 VanDerWaalsContact O-CB 3.31Å; G347-C376 WeakPolarHBondContact O-CB 3.48Å
348E94.6Very high93.1Very high126 Ų12642 Ų4259%0.58924%0.237SC*.  trans-124.6120.1-178.3-70.3-165.7151.300110.7C376 K378E348-C376 CarbonylContact C-O 3.55Å; E348-C376 WeakPolarHBondContact CA-O 3.21Å; E348-K378 HydrophobicContact CB-CD 4.24Å; E348-K378 HydrophobicContact CB-CG 3.73Å; E348-K378 HydrophobicContact CG-CG 4.36Å
349Y96.7Very high92.8Very high7 Ų741.2 Ų41.23%0.02723%0.232CC..EExtended strand (participates in β ladder)trans-112.1139.9179.5-66.3-83.7000110.5K286 L288 D309 F345 I352 C376 T377 K378K286-Y349 HydrophobicContact CB-CD1 4.4Å; K286-Y349 HydrophobicContact CD-CD1 4.27Å; K286-Y349 HydrophobicContact CD-CE1 4.19Å; K286-Y349 HydrophobicContact CG-CD1 3.77Å; K286-Y349 HydrophobicContact CG-CE1 3.91Å; K286-Y349 CarbonylContact O-C 3.57Å; L288-Y349 HydrophobicContact CB-CD1 3.65Å; L288-Y349 HydrophobicContact CB-CD2 4.23Å; L288-Y349 HydrophobicContact CB-CE1 3.64Å; L288-Y349 HydrophobicContact CB-CE2 4.22Å; L288-Y349 HydrophobicContact CB-CG 3.96Å; L288-Y349 HydrophobicContact CD1-CE1 4.5Å; L288-Y349 HydrophobicContact CD2-CD2 4.2Å; L288-Y349 HydrophobicContact CD2-CE2 3.85Å; L288-Y349 HydrophobicContact CG-CE1 4.47Å; D309-Y349 HydrophobicContact CB-CE1 4.25Å; D309-Y349 WeakPolarHBondContact OD2-CE1 3.36Å; D309-Y349 PolarHBondContact OD2-OH 3.18Å; F345-Y349 HydrophobicContact CD2-CE2 4.47Å; Y349-I352 HydrophobicContact CD2-CD1 4.15Å; Y349-I352 HydrophobicContact CD2-CG1 4.43Å; Y349-I352 HydrophobicContact CG-CD1 4.37Å; Y349-I352 HydrophobicContact CG-CG1 4.16Å; Y349-C376 HydrophobicContact CD2-CB 4.31Å; Y349-C376 PolarHBondContact N-O 3.1Å; Y349-T377 WeakPolarHBondContact O-CA 3.25Å; Y349-K378 PolarHBondContact O-N 3.42Å
350D94.5Very high92.6Very high46 Ų4642.9 Ų42.925%0.24624%0.237CC..EExtended strand (participates in β ladder)trans-77.9-28.9171.1-57.3-67.7000110.4K286 K378 G381 Y382K286-D350 PolarHBondContact N-OD2 3.44Å; K286-D350 PolarHBondContact O-N 3.12Å; D350-K378 VanDerWaalsContact CG-NZ 3.3Å; D350-K378 WeakPolarHBondContact OD1-CD 3.47Å; D350-K378 IonicContact OD1-NZ 2.86Å; D350-K378 PolarHBondContact OD1-NZ 3.03Å; D350-K378 IonicContact OD2-NZ 3.03Å; D350-K378 PolarHBondContact OD2-NZ 3.29Å; D350-G381 CarbonylContact O-C 3.59Å; D350-G381 WeakPolarHBondContact O-CA 3.43Å; D350-Y382 PolarHBondContact O-N 3.32Å
351F93.6Very high92.6Very high13 Ų1342.9 Ų42.96%0.05724%0.236CC..EExtended strand (participates in β ladder)trans-144.5129.1178.8-175.6-147.1000112.3V282 K286 T287 L288 L301 Y306 L353 Y382 L384 L446V282-F351 HydrophobicContact CG1-CB 3.93Å; V282-F351 HydrophobicContact CG1-CD1 4.13Å; V282-F351 HydrophobicContact CG1-CD2 4.12Å; V282-F351 HydrophobicContact CG1-CG 3.81Å; K286-F351 PolarHBondContact O-N 3.48Å; T287-F351 CarbonylContact C-O 3.6Å; T287-F351 WeakPolarHBondContact CA-O 3.47Å; T287-F351 HydrophobicContact CG2-CB 4.16Å; T287-F351 HydrophobicContact CG2-CD1 3.72Å; T287-F351 HydrophobicContact CG2-CG 4.25Å; L288-F351 PolarHBondContact N-O 3.36Å; L301-F351 HydrophobicContact CD1-CE1 4.23Å; L301-F351 HydrophobicContact CD2-CE1 4.39Å; Y306-F351 HydrophobicContact CE1-CD1 4.34Å; F351-L353 HydrophobicContact CD1-CD2 4.15Å; F351-L353 HydrophobicContact CE1-CB 4.45Å; F351-L353 HydrophobicContact CE1-CD2 3.95Å; F351-L353 HydrophobicContact CE2-CB 4.35Å; F351-L353 HydrophobicContact CZ-CB 4.01Å; F351-L353 HydrophobicContact CZ-CD2 4.36Å; F351-Y382 WeakPolarHBondContact CA-O 3.32Å; F351-L384 HydrophobicContact CE2-CB 3.65Å; F351-L384 HydrophobicContact CZ-CB 3.84Å; F351-L384 HydrophobicContact CZ-CD2 4.07Å; F351-L446 HydrophobicContact CE2-CD1 4.36Å
352I95.6Very high92.6Very high0 Ų045.5 Ų45.50%025%0.248CC..EExtended strand (participates in β ladder)trans-122.7131.9171.7-50.3-175.7000108.8L288 L290 Y349 M373 C376 T377 Y382 N383 L384L288-I352 HydrophobicContact CB-CG1 4.22Å; L288-I352 HydrophobicContact CB-CG2 4.12Å; L288-I352 HydrophobicContact CD2-CD1 4.45Å; L288-I352 HydrophobicContact CD2-CG2 4.17Å; L288-I352 HydrophobicContact CG-CG2 4.27Å; L288-I352 CarbonylContact O-C 3.19Å; L288-I352 WeakPolarHBondContact O-CA 3.32Å; L290-I352 HydrophobicContact CD1-CG2 4.09Å; L290-I352 HydrophobicContact CG-CG2 4.45Å; Y349-I352 HydrophobicContact CD2-CD1 4.15Å; Y349-I352 HydrophobicContact CD2-CG1 4.43Å; Y349-I352 HydrophobicContact CG-CD1 4.37Å; Y349-I352 HydrophobicContact CG-CG1 4.16Å; I352-M373 HydrophobicContact CD1-CB 4.34Å; I352-M373 WeakPolarHBondContact CD1-O 3.3Å; I352-M373 HydrophobicContact CG2-CB 4.45Å; I352-M373 HydrophobicContact CG2-CE 3.86Å; I352-M373 HydrophobicContact CG2-CG 4.13Å; I352-C376 HydrophobicContact CD1-CB 4.37Å; I352-T377 WeakPolarHBondContact CD1-OG1 3.29Å; I352-Y382 PolarHBondContact N-O 3.38Å; I352-N383 CarbonylContact O-C 3.55Å; I352-N383 VanDerWaalsContact O-CA 3.23Å; I352-N383 WeakPolarHBondContact O-CA 3.49Å; I352-L384 PolarHBondContact O-N 2.86Å
353L92.7Very high92.7Very high4 Ų441.4 Ų41.42%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-129144.4179.465.2159.5000111.8T287 L288 D289 L290 N297 L301 F351 L384T287-L353 HydrophobicContact CG2-CD2 3.57Å; L288-L353 WeakPolarHBondContact O-CD2 3.39Å; L288-L353 PolarHBondContact O-N 3.03Å; D289-L353 HydrophobicContact CB-CD1 4.49Å; D289-L353 HydrophobicContact CB-CD2 3.94Å; D289-L353 HydrophobicContact CB-CG 4.07Å; L290-L353 PolarHBondContact N-O 2.94Å; N297-L353 HydrophobicContact CB-CD1 3.94Å; L301-L353 HydrophobicContact CD1-CD1 3.96Å; L301-L353 HydrophobicContact CD1-CD2 3.97Å; F351-L353 HydrophobicContact CD1-CD2 4.15Å; F351-L353 HydrophobicContact CE1-CB 4.45Å; F351-L353 HydrophobicContact CE1-CD2 3.95Å; F351-L353 HydrophobicContact CE2-CB 4.35Å; F351-L353 HydrophobicContact CZ-CB 4.01Å; F351-L353 HydrophobicContact CZ-CD2 4.36Å; L353-L384 CarbonylContact C-O 3.53Å; L353-L384 VanDerWaalsContact CA-O 3.31Å; L353-L384 WeakPolarHBondContact CA-O 3.24Å; L353-L384 HydrophobicContact CB-CB 4.02Å; L353-L384 HydrophobicContact CB-CD2 4.39Å
354S90.8Very high92.8Very high0 Ų047.8 Ų47.80%026%0.26CS..EExtended strand (participates in β ladder)trans-145.195.1172.1165.80000108.2L358 L384 V386S354-L358 WeakPolarHBondContact OG-CD2 3.32Å; S354-L358 WeakPolarHBondContact OG-CG 3.16Å; S354-L384 PolarHBondContact N-O 3.28Å; S354-V386 PolarHBondContact O-N 2.83Å; S354-V386 VanDerWaalsContact O-N 3.16Å
355T83.8Confident92.9Very high26 Ų2643.6 Ų43.616%0.1623%0.234CC..EExtended strand (participates in β ladder)trans-106.1113.7-174.562.90000111.7N297 V357 L384 V386N297-T355 PolarHBondContact ND2-OG1 3.43Å; T355-V357 VanDerWaalsContact C-N 3.33Å; T355-L384 HydrophobicContact CG2-CD2 4.09Å; T355-L384 HydrophobicContact CG2-CG 4.28Å; T355-V386 HydrophobicContact CG2-CG2 4.34Å
356V83.7Confident93Very high69 Ų6943.1 Ų43.142%0.41823%0.232SC..SBendtrans6534.5175.9-151.80000112.6M359 F360 V386V356-M359 HydrophobicContact CB-CE 4.11Å; V356-M359 HydrophobicContact CG1-CE 3.29Å; V356-M359 HydrophobicContact CG1-SD 4.33Å; V356-F360 WeakPolarHBondContact O-CE2 3.21Å; V356-V386 WeakPolarHBondContact CA-O 3.16Å; V356-V386 HydrophobicContact CG2-CG1 4.26Å; V356-V386 PolarHBondContact N-O 2.9Å
357V88.2Confident93.1Very high18 Ų1840.2 Ų40.211%0.10922%0.219CC..  trans-116.5-46.2-174.4175.20000113.1L290 G291 L340 T355 M359 F360L290-V357 WeakPolarHBondContact O-CG2 3.28Å; G291-V357 VanDerWaalsContact O-CG2 3.26Å; G291-V357 WeakPolarHBondContact O-CG2 3.36Å; L340-V357 HydrophobicContact CD1-CG1 3.88Å; T355-V357 VanDerWaalsContact C-N 3.33Å; V357-M359 PolarHBondContact O-N 3.18Å; V357-F360 WeakPolarHBondContact O-CB 3.22Å; V357-F360 PolarHBondContact O-N 2.94Å
358L93Very high93.4Very high0 Ų040.6 Ų40.60%022%0.223CC..G310 helixtrans-57.2-30-168.1-62-176.2000114S354 F360 L361 I366 L369 I385 A387 F402 F404S354-L358 WeakPolarHBondContact OG-CD2 3.32Å; S354-L358 WeakPolarHBondContact OG-CG 3.16Å; L358-F360 PolarHBondContact O-N 3.47Å; L358-L361 HydrophobicContact CD2-CD1 3.9Å; L358-L361 WeakPolarHBondContact O-CB 3.38Å; L358-L361 PolarHBondContact O-N 3Å; L358-L361 VanDerWaalsContact O-N 3.08Å; L358-I366 HydrophobicContact CB-CD1 4.05Å; L358-I366 HydrophobicContact CD2-CD1 4.28Å; L358-L369 HydrophobicContact CD2-CD2 3.84Å; L358-I385 HydrophobicContact CD1-CD1 4.43Å; L358-I385 HydrophobicContact CD1-CG2 3.79Å; L358-A387 HydrophobicContact CB-CB 4.12Å; L358-F402 HydrophobicContact CB-CD1 4.48Å; L358-F404 HydrophobicContact CD1-CE2 3.87Å; L358-F404 HydrophobicContact CD1-CZ 3.89Å
359M91.5Very high93.6Very high1 Ų134.9 Ų34.91%0.00520%0.197CC..G310 helixtrans-65.6-16.4177.261.8-81.5-115.400114.1V356 V357 A388 F400 P401 F402 F442V356-M359 HydrophobicContact CB-CE 4.11Å; V356-M359 HydrophobicContact CG1-CE 3.29Å; V356-M359 HydrophobicContact CG1-SD 4.33Å; V357-M359 PolarHBondContact O-N 3.18Å; M359-A388 HydrophobicContact CB-CB 4.13Å; M359-A388 HydrophobicContact CE-CB 3.86Å; M359-A388 HydrophobicContact CG-CB 4.32Å; M359-F400 HydrophobicContact CB-CB 4.01Å; M359-F400 HydrophobicContact CB-CD1 4.24Å; M359-F400 HydrophobicContact CB-CD2 3.99Å; M359-F400 HydrophobicContact CB-CG 3.83Å; M359-F400 HydrophobicContact CG-CD1 3.94Å; M359-F400 HydrophobicContact CG-CD2 4.03Å; M359-F400 HydrophobicContact CG-CE1 4.07Å; M359-F400 HydrophobicContact CG-CE2 4.15Å; M359-F400 HydrophobicContact CG-CG 3.96Å; M359-F400 HydrophobicContact CG-CZ 4.18Å; M359-F400 WeakPolarHBondContact O-CB 3.38Å; M359-P401 WeakPolarHBondContact O-CD 3.37Å; M359-P401 WeakPolarHBondContact O-CG 3.31Å; M359-F402 WeakPolarHBondContact CA-O 3.44Å; M359-F402 WeakPolarHBondContact CB-O 3.34Å; M359-F402 PolarHBondContact O-N 2.93Å; M359-F442 HydrophobicContact CE-CE1 3.92Å
360F92.7Very high93.6Very high102 Ų10234.6 Ų34.645%0.44720%0.196SC..G310 helixtrans-90.4-0.7175-62.8-72.3000113.6V356 V357 L358 F400V356-F360 WeakPolarHBondContact O-CE2 3.21Å; V357-F360 WeakPolarHBondContact O-CB 3.22Å; V357-F360 PolarHBondContact O-N 2.94Å; L358-F360 PolarHBondContact O-N 3.47Å; F360-F400 HydrophobicContact CD1-CD1 4.11Å; F360-F400 HydrophobicContact CD1-CE1 4.13Å; F360-F400 AromaticContact CE1-CD1 3.9Å; F360-F400 HydrophobicContact CE1-CD1 3.9Å; F360-F400 AromaticContact CE1-CE1 3.46Å; F360-F400 HydrophobicContact CE1-CE1 3.46Å; F360-F400 VanDerWaalsContact CE1-CE1 3.46Å; F360-F400 HydrophobicContact CE2-CE1 4.49Å; F360-F400 HydrophobicContact CZ-CD1 4.43Å; F360-F400 AromaticContact CZ-CE1 3.67Å; F360-F400 HydrophobicContact CZ-CE1 3.67Å; F360-F400 HydrophobicContact CZ-CZ 4.43Å
361L95.6Very high93.8Very high8 Ų834.8 Ų34.84%0.04220%0.204CC..SBendtrans-97.4157.1179.5-52.2-175.8000111.2L340 L358 I366 L369 P401 F402L340-L361 HydrophobicContact CB-CD1 3.93Å; L340-L361 HydrophobicContact CB-CD2 3.81Å; L340-L361 HydrophobicContact CD1-CD1 4.17Å; L340-L361 HydrophobicContact CD1-CD2 4.35Å; L358-L361 HydrophobicContact CD2-CD1 3.9Å; L358-L361 WeakPolarHBondContact O-CB 3.38Å; L358-L361 PolarHBondContact O-N 3Å; L358-L361 VanDerWaalsContact O-N 3.08Å; L361-I366 HydrophobicContact CB-CD1 3.95Å; L361-I366 HydrophobicContact CD1-CD1 4.17Å; L361-L369 HydrophobicContact CD1-CD2 3.5Å; L361-L369 VanDerWaalsContact CD1-CD2 3.5Å; L361-P401 WeakPolarHBondContact O-CB 3.47Å; L361-P401 VanDerWaalsContact O-CG 3.28Å; L361-P401 WeakPolarHBondContact O-CG 3.4Å; L361-F402 WeakPolarHBondContact O-CB 3.49Å
362E96Very high93.9Very high86 Ų8634.5 Ų34.540%0.40220%0.203SC..  trans-65.3136.3175.4-61.7178.6175.400110.1N341 K364 T365N341-E362 PolarHBondContact OD1-N 3.42Å; E362-K364 HydrophobicContact CB-CG 4.22Å; E362-K364 PolarHBondContact O-N 2.93Å; E362-K364 VanDerWaalsContact O-N 3.07Å; E362-K364 WeakPolarHBondContact OE2-CE 3.27Å; E362-K364 IonicContact OE2-NZ 2.96Å; E362-K364 PolarHBondContact OE2-NZ 2.85Å; E362-T365 WeakPolarHBondContact O-CB 3.33Å; E362-T365 PolarHBondContact O-N 3.15Å; E362-T365 PolarHBondContact O-OG1 2.94Å
363A95.1Very high94Very high55 Ų5534.5 Ų34.546%0.45520%0.203SC..THydrogen-bonded Turntrans-54.5-33.8-176.300000113.7T365 I366 F402A363-T365 PolarHBondContact O-N 3.03Å; A363-I366 PolarHBondContact O-N 2.98Å; A363-F402 HydrophobicContact CB-CB 4.49Å; A363-F402 HydrophobicContact CB-CD2 4.05Å
364K96.2Very high94.3Very high166 Ų16636.1 Ų36.172%0.72221%0.211SC*.THydrogen-bonded Turntrans-66.4-21.9176.564.5174.1176.5-177.50114E362E362-K364 HydrophobicContact CB-CG 4.22Å; E362-K364 PolarHBondContact O-N 2.93Å; E362-K364 VanDerWaalsContact O-N 3.07Å; E362-K364 WeakPolarHBondContact OE2-CE 3.27Å; E362-K364 IonicContact OE2-NZ 2.96Å; E362-K364 PolarHBondContact OE2-NZ 2.85Å
365T96.5Very high94.6Very high18 Ų1842.6 Ų42.611%0.1124%0.235CC..THydrogen-bonded Turntrans-75.7-35.2-179-56.20000111.4L340 N341 E362 A363 G368 L369L340-T365 WeakPolarHBondContact O-CG2 3.43Å; N341-T365 PolarHBondContact OD1-OG1 3.01Å; N341-T365 VanDerWaalsContact OD1-OG1 3.06Å; E362-T365 WeakPolarHBondContact O-CB 3.33Å; E362-T365 PolarHBondContact O-N 3.15Å; E362-T365 PolarHBondContact O-OG1 2.94Å; A363-T365 PolarHBondContact O-N 3.03Å; T365-G368 PolarHBondContact O-N 2.9Å; T365-L369 HydrophobicContact CG2-CB 4.35Å; T365-L369 WeakPolarHBondContact O-CB 3.45Å; T365-L369 PolarHBondContact O-N 3.1Å
366I97.1Very high95.3Very high0 Ų041.5 Ų41.50%023%0.228CC..Hα-helixtrans-58.8-47.5-166.7-57-60000114L358 L361 A363 G368 L369 I370 F402 F404L358-I366 HydrophobicContact CB-CD1 4.05Å; L358-I366 HydrophobicContact CD2-CD1 4.28Å; L361-I366 HydrophobicContact CB-CD1 3.95Å; L361-I366 HydrophobicContact CD1-CD1 4.17Å; A363-I366 PolarHBondContact O-N 2.98Å; I366-G368 VanDerWaalsContact C-N 3.32Å; I366-G368 PolarHBondContact O-N 3.19Å; I366-L369 PolarHBondContact O-N 2.96Å; I366-I370 HydrophobicContact CG2-CD1 3.56Å; I366-I370 HydrophobicContact CG2-CG1 4.17Å; I366-I370 WeakPolarHBondContact O-CG1 3.28Å; I366-I370 PolarHBondContact O-N 3.15Å; I366-F402 HydrophobicContact CB-CE1 4.38Å; I366-F402 HydrophobicContact CB-CE2 4.25Å; I366-F402 HydrophobicContact CB-CZ 4.18Å; I366-F402 HydrophobicContact CD1-CD1 3.77Å; I366-F402 HydrophobicContact CD1-CE1 4.08Å; I366-F402 HydrophobicContact CD1-CG 4.13Å; I366-F402 HydrophobicContact CG1-CB 4.29Å; I366-F402 HydrophobicContact CG1-CD1 3.6Å; I366-F402 HydrophobicContact CG1-CD2 3.76Å; I366-F402 HydrophobicContact CG1-CE1 3.77Å; I366-F402 HydrophobicContact CG1-CE2 3.93Å; I366-F402 HydrophobicContact CG1-CG 3.59Å; I366-F402 HydrophobicContact CG1-CZ 3.94Å; I366-F402 HydrophobicContact CG2-CE1 3.91Å; I366-F402 HydrophobicContact CG2-CE2 4.24Å; I366-F402 HydrophobicContact CG2-CZ 3.71Å; I366-F404 HydrophobicContact CG2-CE1 4.22Å; I366-F404 HydrophobicContact CG2-CZ 4.25Å
367P97.1Very high95.9Very high58 Ų5838.3 Ų38.338%0.37721%0.209SC..Hα-helixtrans-60.6-42.6-179.3-20.230.8000112.2A371 Y412P367-A371 VanDerWaalsContact O-CB 3.29Å; P367-A371 WeakPolarHBondContact O-CB 3.29Å; P367-A371 PolarHBondContact O-N 3.28Å; P367-Y412 HydrophobicContact CB-CE1 4.3Å; P367-Y412 WeakPolarHBondContact CG-OH 3.25Å
368G96.9Very high96.3Very high49 Ų4940.2 Ų40.251%0.50522%0.216SC..Hα-helixtrans-69-41.1179.400000112.7T365 I366 A371 N372T365-G368 PolarHBondContact O-N 2.9Å; I366-G368 VanDerWaalsContact C-N 3.32Å; I366-G368 PolarHBondContact O-N 3.19Å; G368-A371 PolarHBondContact O-N 2.7Å; G368-N372 WeakPolarHBondContact O-CB 3.46Å; G368-N372 PolarHBondContact O-N 3.08Å
369L97.5Very high96.4Very high7 Ų744.8 Ų44.84%0.03725%0.245CC..Hα-helixtrans-65.8-46.4178.1-177.161.3000111.6L290 F345 L358 L361 T365 I366 A371 N372 M373L290-L369 HydrophobicContact CD1-CD1 4.22Å; F345-L369 HydrophobicContact CE1-CD1 3.88Å; L358-L369 HydrophobicContact CD2-CD2 3.84Å; L361-L369 HydrophobicContact CD1-CD2 3.5Å; L361-L369 VanDerWaalsContact CD1-CD2 3.5Å; T365-L369 HydrophobicContact CG2-CB 4.35Å; T365-L369 WeakPolarHBondContact O-CB 3.45Å; T365-L369 PolarHBondContact O-N 3.1Å; I366-L369 PolarHBondContact O-N 2.96Å; L369-A371 PolarHBondContact O-N 2.68Å; L369-N372 WeakPolarHBondContact O-CB 3.15Å; L369-N372 PolarHBondContact O-N 3.16Å; L369-N372 VanDerWaalsContact O-N 3.16Å; L369-M373 HydrophobicContact CG-SD 4.31Å; L369-M373 VanDerWaalsContact O-CG 3.29Å; L369-M373 WeakPolarHBondContact O-CG 3.35Å; L369-M373 PolarHBondContact O-N 3.25Å
370I97.6Very high96.4Very high1 Ų145.8 Ų45.81%0.00526%0.256CS..Hα-helixtrans-62.8-43.9177-67.2174.5000110.6I366 N372 M373 Q374 F404 Y412 Y413I366-I370 HydrophobicContact CG2-CD1 3.56Å; I366-I370 HydrophobicContact CG2-CG1 4.17Å; I366-I370 WeakPolarHBondContact O-CG1 3.28Å; I366-I370 PolarHBondContact O-N 3.15Å; I370-N372 VanDerWaalsContact C-N 3.25Å; I370-N372 PolarHBondContact O-N 3.06Å; I370-M373 PolarHBondContact O-N 3.39Å; I370-Q374 HydrophobicContact CG2-CG 4.31Å; I370-Q374 WeakPolarHBondContact O-CB 3.26Å; I370-Q374 VanDerWaalsContact O-CG 3.29Å; I370-Q374 WeakPolarHBondContact O-CG 3.39Å; I370-Q374 PolarHBondContact O-N 2.91Å; I370-F404 HydrophobicContact CD1-CE1 3.98Å; I370-F404 HydrophobicContact CD1-CZ 3.84Å; I370-Y412 HydrophobicContact CB-CD1 4.36Å; I370-Y412 HydrophobicContact CD1-CD1 4.19Å; I370-Y412 HydrophobicContact CD1-CD2 3.74Å; I370-Y412 HydrophobicContact CD1-CE1 4.36Å; I370-Y412 HydrophobicContact CD1-CE2 3.92Å; I370-Y412 HydrophobicContact CD1-CG 3.89Å; I370-Y412 HydrophobicContact CG2-CD1 3.94Å; I370-Y412 HydrophobicContact CG2-CG 4.06Å; I370-Y413 HydrophobicContact CG2-CE2 3.77Å
371A97.7Very high96.4Very high50 Ų5041.2 Ų41.241%0.41324%0.238SC..Hα-helixtrans-59.6-38.1175.200000111.8P367 G368 L369 R375P367-A371 VanDerWaalsContact O-CB 3.29Å; P367-A371 WeakPolarHBondContact O-CB 3.29Å; P367-A371 PolarHBondContact O-N 3.28Å; G368-A371 PolarHBondContact O-N 2.7Å; L369-A371 PolarHBondContact O-N 2.68Å; A371-R375 WeakPolarHBondContact O-CB 3.38Å; A371-R375 PolarHBondContact O-N 2.94Å
372N97.6Very high96.3Very high6 Ų641.9 Ų41.93%0.03224%0.24CC..Hα-helixtrans-67.1-46.8175.8-162.2-9.3000112.1T344 F345 G368 L369 I370 Q374 R375 C376T344-N372 WeakPolarHBondContact CG2-ND2 3.32Å; F345-N372 HydrophobicContact CE1-CB 4.41Å; F345-N372 HydrophobicContact CZ-CB 4.25Å; F345-N372 PolarHBondContact N-ND2 3.45Å; F345-N372 VanDerWaalsContact N-ND2 3.11Å; F345-N372 PolarHBondContact O-ND2 2.9Å; F345-N372 PolarHBondContact O-OD1 3.13Å; G368-N372 WeakPolarHBondContact O-CB 3.46Å; G368-N372 PolarHBondContact O-N 3.08Å; L369-N372 WeakPolarHBondContact O-CB 3.15Å; L369-N372 PolarHBondContact O-N 3.16Å; L369-N372 VanDerWaalsContact O-N 3.16Å; I370-N372 VanDerWaalsContact C-N 3.25Å; I370-N372 PolarHBondContact O-N 3.06Å; N372-Q374 VanDerWaalsContact C-N 3.31Å; N372-Q374 PolarHBondContact O-N 3.24Å; N372-R375 PolarHBondContact O-N 3.23Å; N372-R375 PolarHBondContact OD1-NH2 3.34Å; N372-C376 WeakPolarHBondContact O-CB 3.49Å; N372-C376 PolarHBondContact O-N 3Å; N372-C376 PolarHBondContact OD1-SG 3.41Å
373M97.5Very high96.2Very high0 Ų037.8 Ų37.80%022%0.221CC..Hα-helixtrans-54.1-49.2173.7-66.1167.467.500110.8L290 F345 I352 L369 I370 R375 C376 T377 I385L290-M373 HydrophobicContact CD1-CE 4.29Å; L290-M373 HydrophobicContact CD1-CG 3.69Å; L290-M373 HydrophobicContact CD1-SD 3.82Å; F345-M373 HydrophobicContact CZ-CG 4.07Å; I352-M373 HydrophobicContact CD1-CB 4.34Å; I352-M373 WeakPolarHBondContact CD1-O 3.3Å; I352-M373 HydrophobicContact CG2-CB 4.45Å; I352-M373 HydrophobicContact CG2-CE 3.86Å; I352-M373 HydrophobicContact CG2-CG 4.13Å; L369-M373 HydrophobicContact CG-SD 4.31Å; L369-M373 VanDerWaalsContact O-CG 3.29Å; L369-M373 WeakPolarHBondContact O-CG 3.35Å; L369-M373 PolarHBondContact O-N 3.25Å; I370-M373 PolarHBondContact O-N 3.39Å; M373-R375 PolarHBondContact O-N 3.17Å; M373-C376 PolarHBondContact O-N 2.86Å; M373-T377 PolarHBondContact O-N 3.04Å; M373-T377 VanDerWaalsContact O-N 3.12Å; M373-T377 PolarHBondContact O-OG1 3.04Å; M373-I385 HydrophobicContact CE-CD1 3.89Å; M373-I385 HydrophobicContact CE-CG1 3.96Å
374Q97.9Very high96Very high39 Ų3937.2 Ų37.218%0.18221%0.21CC..Hα-helixtrans-63.1-40.7179.7-71177.7-7.100112.8I370 N372 Y412 Y413 W416 K449I370-Q374 HydrophobicContact CG2-CG 4.31Å; I370-Q374 WeakPolarHBondContact O-CB 3.26Å; I370-Q374 VanDerWaalsContact O-CG 3.29Å; I370-Q374 WeakPolarHBondContact O-CG 3.39Å; I370-Q374 PolarHBondContact O-N 2.91Å; N372-Q374 VanDerWaalsContact C-N 3.31Å; N372-Q374 PolarHBondContact O-N 3.24Å; Q374-Y412 PolarHBondContact NE2-O 3.22Å; Q374-Y413 HydrophobicContact CG-CD1 4.5Å; Q374-Y413 HydrophobicContact CG-CE1 3.86Å; Q374-W416 HydrophobicContact CB-CZ2 3.77Å; Q374-W416 HydrophobicContact CG-CH2 4.45Å; Q374-W416 HydrophobicContact CG-CZ2 3.75Å; Q374-K449 PolarHBondContact O-NZ 3.1Å
375R97.5Very high95.7Very high135 Ų13529.3 Ų29.351%0.50918%0.175SC..Hα-helixtrans-62.2-50.2176.9-177.3-179.369.1-132.39.8111.1F345 D346 A371 N372 M373 T377 K449F345-R375 PolarHBondContact O-NH2 3.13Å; D346-R375 IonicContact OD1-NH2 3.35Å; D346-R375 PolarHBondContact OD1-NH2 3.29Å; A371-R375 WeakPolarHBondContact O-CB 3.38Å; A371-R375 PolarHBondContact O-N 2.94Å; N372-R375 PolarHBondContact O-N 3.23Å; N372-R375 PolarHBondContact OD1-NH2 3.34Å; M373-R375 PolarHBondContact O-N 3.17Å; R375-T377 PolarHBondContact O-N 3.21Å; R375-K449 PolarHBondContact O-NZ 3.02Å
376C97.7Very high95.2Very high4 Ų429.4 Ų29.43%0.02718%0.176CC..Hα-helixtrans-78.91.4-175.6-65.90000114.2F345 G347 E348 Y349 I352 N372 M373F345-C376 HydrophobicContact CD2-CB 4.15Å; F345-C376 HydrophobicContact CE2-CB 3.82Å; G347-C376 WeakPolarHBondContact O-CA 3.38Å; G347-C376 VanDerWaalsContact O-CB 3.31Å; G347-C376 WeakPolarHBondContact O-CB 3.48Å; E348-C376 CarbonylContact C-O 3.55Å; E348-C376 WeakPolarHBondContact CA-O 3.21Å; Y349-C376 HydrophobicContact CD2-CB 4.31Å; Y349-C376 PolarHBondContact N-O 3.1Å; I352-C376 HydrophobicContact CD1-CB 4.37Å; N372-C376 WeakPolarHBondContact O-CB 3.49Å; N372-C376 PolarHBondContact O-N 3Å; N372-C376 PolarHBondContact OD1-SG 3.41Å; M373-C376 PolarHBondContact O-N 2.86Å
377T97.3Very high94.8Very high2 Ų229.4 Ų29.41%0.01218%0.176CC..EExtended strand (participates in β ladder)trans-90.7133.2172.4-53.50000110.2Y349 I352 M373 R375 N383 W416 K449Y349-T377 WeakPolarHBondContact O-CA 3.25Å; I352-T377 WeakPolarHBondContact CD1-OG1 3.29Å; M373-T377 PolarHBondContact O-N 3.04Å; M373-T377 VanDerWaalsContact O-N 3.12Å; M373-T377 PolarHBondContact O-OG1 3.04Å; R375-T377 PolarHBondContact O-N 3.21Å; T377-N383 PolarHBondContact OG1-ND2 3.08Å; T377-W416 HydrophobicContact CG2-CH2 3.67Å; T377-W416 HydrophobicContact CG2-CZ3 4.05Å; T377-K449 HydrophobicContact CG2-CB 4.38Å; T377-K449 HydrophobicContact CG2-CD 4.48Å; T377-K449 WeakPolarHBondContact O-CD 3.37Å; T377-K449 WeakPolarHBondContact O-CE 3.43Å; T377-K449 PolarHBondContact O-NZ 3.2Å
378K96.8Very high94.3Very high57 Ų5726.6 Ų26.625%0.24816%0.158CC..EExtended strand (participates in β ladder)trans-67.1153.1176.3-65.2-175.6-160.41530112.2E348 Y349 D350 G380 G381E348-K378 HydrophobicContact CB-CD 4.24Å; E348-K378 HydrophobicContact CB-CG 3.73Å; E348-K378 HydrophobicContact CG-CG 4.36Å; Y349-K378 PolarHBondContact O-N 3.42Å; D350-K378 VanDerWaalsContact CG-NZ 3.3Å; D350-K378 WeakPolarHBondContact OD1-CD 3.47Å; D350-K378 IonicContact OD1-NZ 2.86Å; D350-K378 PolarHBondContact OD1-NZ 3.03Å; D350-K378 IonicContact OD2-NZ 3.03Å; D350-K378 PolarHBondContact OD2-NZ 3.29Å; K378-G380 PolarHBondContact O-N 2.77Å; K378-G381 WeakPolarHBondContact O-CA 3.39Å; K378-G381 PolarHBondContact O-N 3.11Å
379P95.5Very high94.2Very high96 Ų9624.3 Ų24.362%0.62313%0.134SC*.EExtended strand (participates in β ladder)trans-52.2133.3163.5-24.134.7000110.7G381P379-G381 PolarHBondContact O-N 3Å
380G91.2Very high94.2Very high23 Ų2326.2 Ų26.224%0.23714%0.144CC..EExtended strand (participates in β ladder)trans79.1-10.6-172.400000115.5K378 Y382 R448 K449K378-G380 PolarHBondContact O-N 2.77Å; G380-Y382 VanDerWaalsContact O-CE2 3.25Å; G380-Y382 WeakPolarHBondContact O-CE2 3.2Å; G380-R448 WeakPolarHBondContact O-CG 3.1Å; G380-R448 PolarHBondContact O-NE 3.15Å; G380-K449 VanDerWaalsContact CA-O 3.27Å; G380-K449 WeakPolarHBondContact CA-O 3.34Å; G380-K449 PolarHBondContact N-O 3.05Å
381G92.7Very high94Very high5 Ų526.6 Ų26.65%0.05215%0.147CC..EExtended strand (participates in β ladder)trans-77.3171.9174.800000113.2D350 K378 P379 R448 K449D350-G381 CarbonylContact O-C 3.59Å; D350-G381 WeakPolarHBondContact O-CA 3.43Å; K378-G381 WeakPolarHBondContact O-CA 3.39Å; K378-G381 PolarHBondContact O-N 3.11Å; P379-G381 PolarHBondContact O-N 3Å; G381-R448 CarbonylContact O-C 3.49Å; G381-R448 WeakPolarHBondContact O-CA 3.32Å; G381-K449 PolarHBondContact O-N 2.99Å
382Y92.9Very high93.9Very high22 Ų2229.5 Ų29.59%0.08617%0.17CC..EExtended strand (participates in β ladder)trans-125149.7-167.8-66.7-97.6000113.5V281 V282 D350 F351 I352 G380 V419 L446 A447 R448V281-Y382 HydrophobicContact CG1-CE1 3.66Å; V281-Y382 WeakPolarHBondContact CG1-OH 3.29Å; V281-Y382 PolarHBondContact O-OH 3.19Å; V282-Y382 HydrophobicContact CB-CD2 4.31Å; V282-Y382 HydrophobicContact CG1-CD2 3.96Å; V282-Y382 HydrophobicContact CG1-CG 4.35Å; V282-Y382 HydrophobicContact CG2-CD1 3.99Å; V282-Y382 HydrophobicContact CG2-CD2 3.91Å; V282-Y382 HydrophobicContact CG2-CE1 4.47Å; V282-Y382 HydrophobicContact CG2-CE2 4.43Å; V282-Y382 HydrophobicContact CG2-CG 3.68Å; D350-Y382 PolarHBondContact O-N 3.32Å; F351-Y382 WeakPolarHBondContact CA-O 3.32Å; I352-Y382 PolarHBondContact N-O 3.38Å; G380-Y382 VanDerWaalsContact O-CE2 3.25Å; G380-Y382 WeakPolarHBondContact O-CE2 3.2Å; Y382-V419 HydrophobicContact CE1-CG2 3.95Å; Y382-L446 HydrophobicContact CD1-CD1 4.04Å; Y382-L446 HydrophobicContact CD1-CG 4.24Å; Y382-L446 HydrophobicContact CG-CD1 4.48Å; Y382-A447 CarbonylContact C-O 3.55Å; Y382-A447 VanDerWaalsContact CA-O 3.29Å; Y382-A447 WeakPolarHBondContact CA-O 3.39Å; Y382-R448 HydrophobicContact CD1-CB 3.77Å; Y382-R448 HydrophobicContact CD1-CG 4.02Å; Y382-R448 HydrophobicContact CD2-CG 4.39Å; Y382-R448 HydrophobicContact CE1-CB 3.51Å; Y382-R448 HydrophobicContact CE1-CG 3.59Å; Y382-R448 HydrophobicContact CE2-CG 3.98Å; Y382-R448 HydrophobicContact CG-CG 4.4Å; Y382-R448 VanDerWaalsContact OH-CD 3.29Å; Y382-R448 WeakPolarHBondContact OH-CD 3.3Å; Y382-R448 PolarHBondContact OH-NE 2.94Å
383N94.4Very high93.6Very high0 Ų033.2 Ų33.20%019%0.19CC..EExtended strand (participates in β ladder)trans-121.4130.4166.6-78.1-168.8000110.3I352 T377 Y413 W416 L446 A447I352-N383 CarbonylContact O-C 3.55Å; I352-N383 VanDerWaalsContact O-CA 3.23Å; I352-N383 WeakPolarHBondContact O-CA 3.49Å; T377-N383 PolarHBondContact OG1-ND2 3.08Å; N383-Y413 HydrophobicContact CB-CE1 3.71Å; N383-Y413 WeakPolarHBondContact OD1-CE1 3.47Å; N383-Y413 PolarHBondContact OD1-OH 3.26Å; N383-W416 HydrophobicContact CB-CZ3 4.04Å; N383-L446 WeakPolarHBondContact O-CA 3.47Å; N383-A447 PolarHBondContact N-O 3.38Å; N383-A447 PolarHBondContact O-N 2.66Å
384L91.2Very high93.3Very high43 Ų4336.6 Ų36.623%0.22520%0.204CC..EExtended strand (participates in β ladder)trans-113.7117.5172.7174.263.3000110.1F351 I352 L353 S354 T355 M445 L446F351-L384 HydrophobicContact CE2-CB 3.65Å; F351-L384 HydrophobicContact CZ-CB 3.84Å; F351-L384 HydrophobicContact CZ-CD2 4.07Å; I352-L384 PolarHBondContact O-N 2.86Å; L353-L384 CarbonylContact C-O 3.53Å; L353-L384 VanDerWaalsContact CA-O 3.31Å; L353-L384 WeakPolarHBondContact CA-O 3.24Å; L353-L384 HydrophobicContact CB-CB 4.02Å; L353-L384 HydrophobicContact CB-CD2 4.39Å; S354-L384 PolarHBondContact N-O 3.28Å; T355-L384 HydrophobicContact CG2-CD2 4.09Å; T355-L384 HydrophobicContact CG2-CG 4.28Å; L384-M445 CarbonylContact C-O 3.37Å; L384-M445 VanDerWaalsContact CA-O 3.31Å; L384-M445 WeakPolarHBondContact CA-O 3.4Å; L384-M445 WeakPolarHBondContact CD1-O 3.27Å; L384-L446 HydrophobicContact CB-CD1 4.24Å; L384-L446 HydrophobicContact CD1-CB 4.46Å
385I89.5Confident93Very high0 Ų038.1 Ų38.10%022%0.217CC..EExtended strand (participates in β ladder)trans-124132.2176.3-67.8171.8000109.3L358 M373 A387 F404 L409 Y413 T444 M445L358-I385 HydrophobicContact CD1-CD1 4.43Å; L358-I385 HydrophobicContact CD1-CG2 3.79Å; M373-I385 HydrophobicContact CE-CD1 3.89Å; M373-I385 HydrophobicContact CE-CG1 3.96Å; I385-A387 HydrophobicContact CG2-CB 4.41Å; I385-F404 HydrophobicContact CG2-CE2 4.33Å; I385-L409 HydrophobicContact CB-CD1 4.42Å; I385-L409 HydrophobicContact CB-CD2 4.1Å; I385-L409 HydrophobicContact CD1-CD1 3.89Å; I385-L409 HydrophobicContact CG2-CD1 4.11Å; I385-L409 HydrophobicContact CG2-CD2 3.75Å; I385-Y413 HydrophobicContact CD1-CE2 3.71Å; I385-Y413 WeakPolarHBondContact CD1-OH 3.45Å; I385-T444 WeakPolarHBondContact O-CA 3.26Å; I385-M445 HydrophobicContact CD1-CE 4.33Å; I385-M445 PolarHBondContact N-O 3.4Å; I385-M445 PolarHBondContact O-N 3.23Å
386V84.8Confident92.7Very high20 Ų2032.9 Ų32.912%0.12120%0.2CC..EExtended strand (participates in β ladder)trans-129.9119.6166.8-176.50000107.4S354 T355 V356 F442 A443 T444S354-V386 PolarHBondContact O-N 2.83Å; S354-V386 VanDerWaalsContact O-N 3.16Å; T355-V386 HydrophobicContact CG2-CG2 4.34Å; V356-V386 WeakPolarHBondContact CA-O 3.16Å; V356-V386 HydrophobicContact CG2-CG1 4.26Å; V356-V386 PolarHBondContact N-O 2.9Å; V386-F442 HydrophobicContact CG1-CD1 4.33Å; V386-A443 WeakPolarHBondContact CA-O 3.39Å; V386-T444 HydrophobicContact CG2-CG2 4.08Å
387A88.6Confident92.2Very high0 Ų038.5 Ų38.50%024%0.235CC..EExtended strand (participates in β ladder)trans-149.7151.8-178.700000111.7L358 I385 F404 F442 A443L358-A387 HydrophobicContact CB-CB 4.12Å; I385-A387 HydrophobicContact CG2-CB 4.41Å; A387-F404 HydrophobicContact CB-CD2 3.67Å; A387-F404 HydrophobicContact CB-CE2 3.56Å; A387-F442 CarbonylContact O-C 3.48Å; A387-F442 VanDerWaalsContact O-CA 3.27Å; A387-F442 WeakPolarHBondContact O-CA 3.14Å; A387-A443 PolarHBondContact N-O 3Å; A387-A443 VanDerWaalsContact N-O 3.13Å; A387-A443 PolarHBondContact O-N 3.41Å
388A88.4Confident91.6Very high0 Ų039.6 Ų39.60%024%0.242CC..EExtended strand (participates in β ladder)trans-64.8149.5176.800000111.1M359 F400 A403 F404 L440 F442M359-A388 HydrophobicContact CB-CB 4.13Å; M359-A388 HydrophobicContact CE-CB 3.86Å; M359-A388 HydrophobicContact CG-CB 4.32Å; A388-F400 HydrophobicContact CB-CD2 4.08Å; A388-F400 HydrophobicContact CB-CE2 4.09Å; A388-A403 WeakPolarHBondContact O-CA 3.48Å; A388-F404 PolarHBondContact O-N 3.36Å; A388-L440 HydrophobicContact CB-CD1 4.3Å; A388-F442 HydrophobicContact CB-CD1 4.5Å; A388-F442 HydrophobicContact CB-CE1 4.18Å
389M94.7Very high91.3Very high0 Ų040.2 Ų40.20%026%0.264CS..BIsolated β-bridgetrans-115.5159176.4-63.91747000111.5T391 F404 E423 R441 A443M389-T391 HydrophobicContact CB-CG2 4.16Å; M389-T391 HydrophobicContact CE-CG2 3.75Å; M389-F404 CarbonylContact C-O 3.5Å; M389-F404 WeakPolarHBondContact CA-O 3.39Å; M389-F404 VanDerWaalsContact CB-O 3.31Å; M389-F404 WeakPolarHBondContact CB-O 3.47Å; M389-F404 HydrophobicContact CG-CB 4.13Å; M389-E423 HydrophobicContact CE-CB 3.85Å; M389-E423 HydrophobicContact CE-CG 3.64Å; M389-E423 WeakPolarHBondContact CE-OE2 3.21Å; M389-E423 HydrophobicContact SD-CB 3.59Å; M389-E423 VanDerWaalsContact SD-CB 3.59Å; M389-E423 HydrophobicContact SD-CG 3.6Å; M389-R441 HydrophobicContact CB-CB 3.97Å; M389-R441 WeakPolarHBondContact CB-O 3.37Å; M389-R441 HydrophobicContact CG-CB 4.41Å; M389-R441 PolarHBondContact N-O 3.35Å; M389-R441 HydrophobicContact SD-CB 3.85Å; M389-A443 HydrophobicContact CG-CB 3.92Å; M389-A443 HydrophobicContact SD-CB 3.86Å; M389-A443 PolarHBondContact SD-N 3.43Å; M389-A443 VanDerWaalsContact SD-N 3.41Å
390D95.9Very high91.1Very high47 Ų4737.2 Ų37.225%0.25124%0.241SC..  trans-119.1100.9169.6-179.643.7000109P395 C396 A403 F404 K405D390-P395 WeakPolarHBondContact OD1-CA 3.29Å; D390-C396 HydrophobicContact CB-CB 3.8Å; D390-C396 PolarHBondContact OD1-N 2.93Å; D390-A403 HydrophobicContact CB-CB 3.85Å; D390-F404 PolarHBondContact N-O 3.29Å; D390-K405 IonicContact OD2-NZ 2.79Å; D390-K405 PolarHBondContact OD2-NZ 3.35Å
391T94.8Very high91.3Very high10 Ų1039.5 Ų39.56%0.06125%0.252CS..  trans-120.8160.8-177.663.40000110.9M389 D393 Y394 P395 R441M389-T391 HydrophobicContact CB-CG2 4.16Å; M389-T391 HydrophobicContact CE-CG2 3.75Å; T391-D393 VanDerWaalsContact CB-OD1 3.26Å; T391-D393 WeakPolarHBondContact CB-OD1 3.38Å; T391-D393 PolarHBondContact O-N 2.98Å; T391-D393 PolarHBondContact OG1-OD1 2.94Å; T391-Y394 PolarHBondContact N-O 3.5Å; T391-Y394 CarbonylContact O-C 3.59Å; T391-Y394 PolarHBondContact O-N 3.39Å; T391-Y394 PolarHBondContact OG1-N 2.89Å; T391-P395 WeakPolarHBondContact O-CA 3.36Å; T391-P395 VanDerWaalsContact O-N 3.12Å; T391-R441 HydrophobicContact CG2-CB 4.46Å; T391-R441 WeakPolarHBondContact OG1-CD 3.39Å
392A94.1Very high91.5Very high110 Ų11040.1 Ų40.191%0.90925%0.254SS*.SBendtrans-61.9-32.1-178.100000113.2
393D93.2Very high91.6Very high84 Ų8439.8 Ų39.845%0.44926%0.255SS..SBendtrans-87.3-23.3179.864.1-26.9000113.9T391 R441T391-D393 VanDerWaalsContact CB-OD1 3.26Å; T391-D393 WeakPolarHBondContact CB-OD1 3.38Å; T391-D393 PolarHBondContact O-N 2.98Å; T391-D393 PolarHBondContact OG1-OD1 2.94Å; D393-R441 IonicContact OD1-NE 3.19Å; D393-R441 PolarHBondContact OD1-NE 3Å; D393-R441 IonicContact OD2-CZ 2.62Å; D393-R441 IonicContact OD2-NE 2.68Å; D393-R441 PolarHBondContact OD2-NE 2.86Å; D393-R441 IonicContact OD2-NH2 3.45Å; D393-R441 PolarHBondContact OD2-NH2 3.12Å
394Y89.9Confident91.7Very high72 Ų7239.8 Ų39.828%0.28226%0.255SS..SBendtrans-137.274.9175.6-70.4-85.2000110.7T391 V425 K439 R441T391-Y394 PolarHBondContact N-O 3.5Å; T391-Y394 CarbonylContact O-C 3.59Å; T391-Y394 PolarHBondContact O-N 3.39Å; T391-Y394 PolarHBondContact OG1-N 2.89Å; Y394-V425 HydrophobicContact CD1-CG1 4.37Å; Y394-V425 HydrophobicContact CD2-CG2 3.95Å; Y394-V425 HydrophobicContact CE1-CG1 3.81Å; Y394-V425 HydrophobicContact CE1-CG2 4.39Å; Y394-V425 HydrophobicContact CE2-CB 4.49Å; Y394-V425 HydrophobicContact CE2-CG1 4.29Å; Y394-V425 HydrophobicContact CE2-CG2 3.36Å; Y394-K439 HydrophobicContact CD1-CB 4.06Å; Y394-K439 HydrophobicContact CE1-CB 3.82Å; Y394-R441 HydrophobicContact CD2-CG 3.88Å; Y394-R441 HydrophobicContact CG-CG 4.3Å
395P91.8Very high92Very high71 Ų7142.8 Ų42.846%0.46127%0.266SS..  trans-67.2137.6-176.826.8-34.8000111.8D390 T391 T397 L440D390-P395 WeakPolarHBondContact OD1-CA 3.29Å; T391-P395 WeakPolarHBondContact O-CA 3.36Å; T391-P395 VanDerWaalsContact O-N 3.12Å; P395-T397 PolarHBondContact O-N 3.19Å; P395-T397 VanDerWaalsContact O-N 3.09Å; P395-L440 WeakPolarHBondContact O-CD2 3.43Å
396C90.6Very high92.4Very high24 Ų2449.5 Ų49.516%0.16230%0.298CS..  trans-82.787.5-178.2-179.40000111.9D390 A403 L440D390-C396 HydrophobicContact CB-CB 3.8Å; D390-C396 PolarHBondContact OD1-N 2.93Å; C396-A403 HydrophobicContact CB-CB 4.07Å; C396-L440 HydrophobicContact CB-CD2 4.37Å
397T88.1Confident92.9Very high123 Ų12349.2 Ų49.276%0.75530%0.299SS*.  trans-94.57.6179.557.10000114.3P395 G399P395-T397 PolarHBondContact O-N 3.19Å; P395-T397 VanDerWaalsContact O-N 3.09Å; T397-G399 VanDerWaalsContact C-N 3.26Å; T397-G399 PolarHBondContact O-N 3.37Å
398V85.5Confident93.3Very high25 Ų2551 Ų5115%0.15231%0.307CS..SBendtrans-79.2-5.4-170.4-172.20000113.4F400 L428 I438 L440V398-F400 HydrophobicContact CB-CD2 4.2Å; V398-F400 HydrophobicContact CB-CE2 4.05Å; V398-F400 HydrophobicContact CB-CZ 4.4Å; V398-F400 HydrophobicContact CG1-CE1 4.3Å; V398-F400 HydrophobicContact CG1-CE2 4.06Å; V398-F400 HydrophobicContact CG1-CZ 3.91Å; V398-L428 HydrophobicContact CB-CD1 4.45Å; V398-L428 HydrophobicContact CG1-CD1 4.03Å; V398-L428 HydrophobicContact CG2-CD1 3.8Å; V398-I438 HydrophobicContact CG2-CD1 4.37Å; V398-I438 HydrophobicContact CG2-CG2 3.94Å; V398-L440 HydrophobicContact CG2-CD1 3.95Å
399G89.7Confident93.7Very high70 Ų7051 Ų5172%0.72231%0.307SS*.  trans80.823.9-178.100000113.9T397T397-G399 VanDerWaalsContact C-N 3.26Å; T397-G399 PolarHBondContact O-N 3.37Å
400F92.3Very high93.7Very high32 Ų3258 Ų5814%0.1433%0.334CS..  trans-69.6130170.1-68.7-39.9000110.3M359 F360 A388 V398 F402 L428 L440M359-F400 HydrophobicContact CB-CB 4.01Å; M359-F400 HydrophobicContact CB-CD1 4.24Å; M359-F400 HydrophobicContact CB-CD2 3.99Å; M359-F400 HydrophobicContact CB-CG 3.83Å; M359-F400 HydrophobicContact CG-CD1 3.94Å; M359-F400 HydrophobicContact CG-CD2 4.03Å; M359-F400 HydrophobicContact CG-CE1 4.07Å; M359-F400 HydrophobicContact CG-CE2 4.15Å; M359-F400 HydrophobicContact CG-CG 3.96Å; M359-F400 HydrophobicContact CG-CZ 4.18Å; M359-F400 WeakPolarHBondContact O-CB 3.38Å; F360-F400 HydrophobicContact CD1-CD1 4.11Å; F360-F400 HydrophobicContact CD1-CE1 4.13Å; F360-F400 AromaticContact CE1-CD1 3.9Å; F360-F400 HydrophobicContact CE1-CD1 3.9Å; F360-F400 AromaticContact CE1-CE1 3.46Å; F360-F400 HydrophobicContact CE1-CE1 3.46Å; F360-F400 VanDerWaalsContact CE1-CE1 3.46Å; F360-F400 HydrophobicContact CE2-CE1 4.49Å; F360-F400 HydrophobicContact CZ-CD1 4.43Å; F360-F400 AromaticContact CZ-CE1 3.67Å; F360-F400 HydrophobicContact CZ-CE1 3.67Å; F360-F400 HydrophobicContact CZ-CZ 4.43Å; A388-F400 HydrophobicContact CB-CD2 4.08Å; A388-F400 HydrophobicContact CB-CE2 4.09Å; V398-F400 HydrophobicContact CB-CD2 4.2Å; V398-F400 HydrophobicContact CB-CE2 4.05Å; V398-F400 HydrophobicContact CB-CZ 4.4Å; V398-F400 HydrophobicContact CG1-CE1 4.3Å; V398-F400 HydrophobicContact CG1-CE2 4.06Å; V398-F400 HydrophobicContact CG1-CZ 3.91Å; F400-F402 WeakPolarHBondContact CB-O 3.27Å; F400-F402 PolarHBondContact O-N 3.17Å; F400-L428 HydrophobicContact CE2-CD1 4.2Å; F400-L428 HydrophobicContact CE2-CD2 4.43Å; F400-L428 HydrophobicContact CZ-CD1 4.28Å; F400-L428 HydrophobicContact CZ-CD2 4.27Å; F400-L440 HydrophobicContact CE2-CD1 4.19Å
401P94.7Very high93.8Very high72 Ų7262.6 Ų62.647%0.46835%0.348SS..SBendtrans-63.8-18176.823.8-35.8000114.1M359 L361M359-P401 WeakPolarHBondContact O-CD 3.37Å; M359-P401 WeakPolarHBondContact O-CG 3.31Å; L361-P401 WeakPolarHBondContact O-CB 3.47Å; L361-P401 VanDerWaalsContact O-CG 3.28Å; L361-P401 WeakPolarHBondContact O-CG 3.4Å
402F96.1Very high94Very high18 Ų1865.2 Ų65.28%0.07936%0.357CS..  trans-142.7147.3174.6174.5-104.1000111.2L358 M359 L361 A363 I366 F400 F404L358-F402 HydrophobicContact CB-CD1 4.48Å; M359-F402 WeakPolarHBondContact CA-O 3.44Å; M359-F402 WeakPolarHBondContact CB-O 3.34Å; M359-F402 PolarHBondContact O-N 2.93Å; L361-F402 WeakPolarHBondContact O-CB 3.49Å; A363-F402 HydrophobicContact CB-CB 4.49Å; A363-F402 HydrophobicContact CB-CD2 4.05Å; I366-F402 HydrophobicContact CB-CE1 4.38Å; I366-F402 HydrophobicContact CB-CE2 4.25Å; I366-F402 HydrophobicContact CB-CZ 4.18Å; I366-F402 HydrophobicContact CD1-CD1 3.77Å; I366-F402 HydrophobicContact CD1-CE1 4.08Å; I366-F402 HydrophobicContact CD1-CG 4.13Å; I366-F402 HydrophobicContact CG1-CB 4.29Å; I366-F402 HydrophobicContact CG1-CD1 3.6Å; I366-F402 HydrophobicContact CG1-CD2 3.76Å; I366-F402 HydrophobicContact CG1-CE1 3.77Å; I366-F402 HydrophobicContact CG1-CE2 3.93Å; I366-F402 HydrophobicContact CG1-CG 3.59Å; I366-F402 HydrophobicContact CG1-CZ 3.94Å; I366-F402 HydrophobicContact CG2-CE1 3.91Å; I366-F402 HydrophobicContact CG2-CE2 4.24Å; I366-F402 HydrophobicContact CG2-CZ 3.71Å; F400-F402 WeakPolarHBondContact CB-O 3.27Å; F400-F402 PolarHBondContact O-N 3.17Å; F402-F404 AromaticContact CE1-CD1 3.96Å; F402-F404 HydrophobicContact CE1-CD1 3.96Å; F402-F404 AromaticContact CE1-CD2 3.78Å; F402-F404 HydrophobicContact CE1-CD2 3.78Å; F402-F404 AromaticContact CE1-CE1 3.92Å; F402-F404 HydrophobicContact CE1-CE1 3.92Å; F402-F404 AromaticContact CE1-CE2 3.75Å; F402-F404 HydrophobicContact CE1-CE2 3.75Å; F402-F404 AromaticContact CE1-CG 3.89Å; F402-F404 HydrophobicContact CE1-CG 3.89Å; F402-F404 AromaticContact CE1-CZ 3.81Å; F402-F404 HydrophobicContact CE1-CZ 3.81Å; F402-F404 AromaticContact CZ-CD1 3.52Å; F402-F404 HydrophobicContact CZ-CD1 3.52Å; F402-F404 HydrophobicContact CZ-CD2 4.19Å; F402-F404 AromaticContact CZ-CE1 3.63Å; F402-F404 HydrophobicContact CZ-CE1 3.63Å; F402-F404 HydrophobicContact CZ-CE2 4.29Å; F402-F404 AromaticContact CZ-CG 3.81Å; F402-F404 HydrophobicContact CZ-CG 3.81Å; F402-F404 HydrophobicContact CZ-CZ 4.02Å
403A95.9Very high94.1Very high15 Ų1560 Ų6012%0.12431%0.314CS..  trans-153138.2166.700000108.2A388 D390 C396A388-A403 WeakPolarHBondContact O-CA 3.48Å; D390-A403 HydrophobicContact CB-CB 3.85Å; C396-A403 HydrophobicContact CB-CB 4.07Å
404F96.4Very high94.2Very high0 Ų063.4 Ų63.40%033%0.327CS..BIsolated β-bridgetrans-66.6141.9-179.8-76.7-73.9000111.3L358 I366 I370 I385 A387 A388 M389 D390 F402 E408 L409 Y412 A443L358-F404 HydrophobicContact CD1-CE2 3.87Å; L358-F404 HydrophobicContact CD1-CZ 3.89Å; I366-F404 HydrophobicContact CG2-CE1 4.22Å; I366-F404 HydrophobicContact CG2-CZ 4.25Å; I370-F404 HydrophobicContact CD1-CE1 3.98Å; I370-F404 HydrophobicContact CD1-CZ 3.84Å; I385-F404 HydrophobicContact CG2-CE2 4.33Å; A387-F404 HydrophobicContact CB-CD2 3.67Å; A387-F404 HydrophobicContact CB-CE2 3.56Å; A388-F404 PolarHBondContact O-N 3.36Å; M389-F404 CarbonylContact C-O 3.5Å; M389-F404 WeakPolarHBondContact CA-O 3.39Å; M389-F404 VanDerWaalsContact CB-O 3.31Å; M389-F404 WeakPolarHBondContact CB-O 3.47Å; M389-F404 HydrophobicContact CG-CB 4.13Å; D390-F404 PolarHBondContact N-O 3.29Å; F402-F404 AromaticContact CE1-CD1 3.96Å; F402-F404 HydrophobicContact CE1-CD1 3.96Å; F402-F404 AromaticContact CE1-CD2 3.78Å; F402-F404 HydrophobicContact CE1-CD2 3.78Å; F402-F404 AromaticContact CE1-CE1 3.92Å; F402-F404 HydrophobicContact CE1-CE1 3.92Å; F402-F404 AromaticContact CE1-CE2 3.75Å; F402-F404 HydrophobicContact CE1-CE2 3.75Å; F402-F404 AromaticContact CE1-CG 3.89Å; F402-F404 HydrophobicContact CE1-CG 3.89Å; F402-F404 AromaticContact CE1-CZ 3.81Å; F402-F404 HydrophobicContact CE1-CZ 3.81Å; F402-F404 AromaticContact CZ-CD1 3.52Å; F402-F404 HydrophobicContact CZ-CD1 3.52Å; F402-F404 HydrophobicContact CZ-CD2 4.19Å; F402-F404 AromaticContact CZ-CE1 3.63Å; F402-F404 HydrophobicContact CZ-CE1 3.63Å; F402-F404 HydrophobicContact CZ-CE2 4.29Å; F402-F404 AromaticContact CZ-CG 3.81Å; F402-F404 HydrophobicContact CZ-CG 3.81Å; F402-F404 HydrophobicContact CZ-CZ 4.02Å; F404-E408 WeakPolarHBondContact CA-OE2 3.37Å; F404-E408 HydrophobicContact CB-CB 4.48Å; F404-E408 HydrophobicContact CD1-CB 4.01Å; F404-E408 HydrophobicContact CD1-CG 4.02Å; F404-L409 HydrophobicContact CD1-CB 4.2Å; F404-L409 HydrophobicContact CE1-CB 4.22Å; F404-L409 HydrophobicContact CE1-CD1 4.14Å; F404-L409 HydrophobicContact CE2-CD1 4.33Å; F404-L409 HydrophobicContact CG-CB 4.42Å; F404-L409 HydrophobicContact CZ-CB 4.44Å; F404-L409 HydrophobicContact CZ-CD1 3.81Å; F404-Y412 HydrophobicContact CE1-CD2 4.03Å; F404-Y412 AromaticContact CE1-CE2 3.95Å; F404-Y412 HydrophobicContact CE1-CE2 3.95Å; F404-A443 HydrophobicContact CD2-CB 4.44Å
405K97.5Very high94.5Very high105 Ų10562.4 Ų62.446%0.45734%0.339SS..PPolyproline II helixtrans-78.9163.8165-58.1-60.5-176.6173.10110.7D390 G407 E408D390-K405 IonicContact OD2-NZ 2.79Å; D390-K405 PolarHBondContact OD2-NZ 3.35Å; K405-G407 PolarHBondContact O-N 3.48Å; K405-E408 HydrophobicContact CB-CB 4.28Å; K405-E408 PolarHBondContact N-OE2 3.17Å; K405-E408 WeakPolarHBondContact O-CB 3.31Å; K405-E408 PolarHBondContact O-N 2.84Å
406E96.8Very high94.7Very high141 Ų14160.1 Ų60.166%0.65932%0.321SS*.THydrogen-bonded Turntrans-52.8127.2176-163.5-176.9153.500111.7E408 R411 E423E406-E408 PolarHBondContact O-N 3.19Å; E406-E408 VanDerWaalsContact O-N 3.12Å; E406-R411 PolarHBondContact O-NH1 3.15Å; E406-R411 PolarHBondContact O-NH2 3.13Å; E406-E423 WeakPolarHBondContact CG-OE2 3.46Å
407G95.7Very high94.8Very high15 Ų1563.6 Ų63.616%0.15534%0.335CS..THydrogen-bonded Turntrans66.54.2-177.700000115.8K405 R410 R411 E423K405-G407 PolarHBondContact O-N 3.48Å; G407-R410 WeakPolarHBondContact O-CB 3.4Å; G407-R410 PolarHBondContact O-N 3.06Å; G407-R411 WeakPolarHBondContact O-CG 3.37Å; G407-R411 PolarHBondContact O-N 3.5Å; G407-R411 VanDerWaalsContact O-N 3.07Å; G407-R411 PolarHBondContact O-NH1 3.05Å; G407-E423 VanDerWaalsContact CA-OE1 3.28Å; G407-E423 WeakPolarHBondContact CA-OE1 3.44Å; G407-E423 PolarHBondContact N-OE1 2.65Å
408E97.8Very high94.7Very high36 Ų3661 Ų6117%0.16831%0.313CS..Hα-helixtrans-66.1-46.7-175.7-169.1-174.7173.300112.1F404 K405 E406 R410 R411 Y412F404-E408 WeakPolarHBondContact CA-OE2 3.37Å; F404-E408 HydrophobicContact CB-CB 4.48Å; F404-E408 HydrophobicContact CD1-CB 4.01Å; F404-E408 HydrophobicContact CD1-CG 4.02Å; K405-E408 HydrophobicContact CB-CB 4.28Å; K405-E408 PolarHBondContact N-OE2 3.17Å; K405-E408 WeakPolarHBondContact O-CB 3.31Å; K405-E408 PolarHBondContact O-N 2.84Å; E406-E408 PolarHBondContact O-N 3.19Å; E406-E408 VanDerWaalsContact O-N 3.12Å; E408-R410 VanDerWaalsContact C-N 3.3Å; E408-R410 PolarHBondContact O-N 2.94Å; E408-R411 WeakPolarHBondContact O-CB 3.37Å; E408-R411 PolarHBondContact O-N 2.97Å; E408-R411 VanDerWaalsContact O-N 3.15Å; E408-Y412 HydrophobicContact CG-CD2 4.26Å; E408-Y412 HydrophobicContact CG-CE2 3.82Å; E408-Y412 VanDerWaalsContact O-CD2 3.29Å; E408-Y412 WeakPolarHBondContact O-CD2 3.32Å; E408-Y412 PolarHBondContact O-N 3.12Å; E408-Y412 VanDerWaalsContact O-N 3.12Å
409L95.8Very high94.3Very high0 Ų062.5 Ų62.50%032%0.322CS..Hα-helixtrans-63.1-38.5176.4-17661.7000111.7I385 F404 R411 Y412 Y413 Y421 A443 M445I385-L409 HydrophobicContact CB-CD1 4.42Å; I385-L409 HydrophobicContact CB-CD2 4.1Å; I385-L409 HydrophobicContact CD1-CD1 3.89Å; I385-L409 HydrophobicContact CG2-CD1 4.11Å; I385-L409 HydrophobicContact CG2-CD2 3.75Å; F404-L409 HydrophobicContact CD1-CB 4.2Å; F404-L409 HydrophobicContact CE1-CB 4.22Å; F404-L409 HydrophobicContact CE1-CD1 4.14Å; F404-L409 HydrophobicContact CE2-CD1 4.33Å; F404-L409 HydrophobicContact CG-CB 4.42Å; F404-L409 HydrophobicContact CZ-CB 4.44Å; F404-L409 HydrophobicContact CZ-CD1 3.81Å; L409-R411 VanDerWaalsContact C-N 3.29Å; L409-R411 PolarHBondContact O-N 3.25Å; L409-Y412 PolarHBondContact O-N 3.32Å; L409-Y413 HydrophobicContact CD1-CD2 3.99Å; L409-Y413 HydrophobicContact CD1-CE2 3.94Å; L409-Y413 PolarHBondContact O-N 2.99Å; L409-Y421 HydrophobicContact CB-CE2 4.14Å; L409-Y421 HydrophobicContact CD2-CE2 4.38Å; L409-Y421 HydrophobicContact CG-CE2 4.23Å; L409-A443 HydrophobicContact CB-CB 4.14Å; L409-A443 HydrophobicContact CD2-CB 3.7Å; L409-M445 HydrophobicContact CD1-CE 4.09Å; L409-M445 HydrophobicContact CD2-CB 3.79Å; L409-M445 HydrophobicContact CD2-CE 4.38Å; L409-M445 HydrophobicContact CD2-SD 4.45Å; L409-M445 HydrophobicContact CG-CB 4.44Å; L409-M445 HydrophobicContact CG-CE 4.16Å; L409-M445 HydrophobicContact CG-SD 4.11Å
410R95.9Very high93.6Very high148 Ų14863.8 Ų63.856%0.55831%0.308SS*.Hα-helixtrans-58.2-40.9174.2-177.2171.9175.8172.10.1112.2G407 E408 Y413 E414 K418 Y421G407-R410 WeakPolarHBondContact O-CB 3.4Å; G407-R410 PolarHBondContact O-N 3.06Å; E408-R410 VanDerWaalsContact C-N 3.3Å; E408-R410 PolarHBondContact O-N 2.94Å; R410-Y413 CarbonylContact O-C 3.42Å; R410-Y413 PolarHBondContact O-N 2.6Å; R410-E414 PolarHBondContact O-N 3.19Å; R410-K418 HydrophobicContact CG-CD 4.25Å; R410-Y421 HydrophobicContact CB-CD2 4.42Å; R410-Y421 HydrophobicContact CB-CE1 3.97Å; R410-Y421 HydrophobicContact CB-CE2 3.73Å; R410-Y421 VanDerWaalsContact CB-CZ 3.48Å; R410-Y421 WeakPolarHBondContact CB-OH 3.48Å; R410-Y421 PolarHBondContact N-OH 3.08Å; R410-Y421 VanDerWaalsContact N-OH 3.16Å
411R97.8Very high93.1Very high144 Ų14464.9 Ų64.954%0.54331%0.312SS..Hα-helixtrans-66.7-42.9178-73-176.4-65.1-91.53.2111.7E406 G407 E408 L409 Y413 E414E406-R411 PolarHBondContact O-NH1 3.15Å; E406-R411 PolarHBondContact O-NH2 3.13Å; G407-R411 WeakPolarHBondContact O-CG 3.37Å; G407-R411 PolarHBondContact O-N 3.5Å; G407-R411 VanDerWaalsContact O-N 3.07Å; G407-R411 PolarHBondContact O-NH1 3.05Å; E408-R411 WeakPolarHBondContact O-CB 3.37Å; E408-R411 PolarHBondContact O-N 2.97Å; E408-R411 VanDerWaalsContact O-N 3.15Å; L409-R411 VanDerWaalsContact C-N 3.29Å; L409-R411 PolarHBondContact O-N 3.25Å; R411-Y413 PolarHBondContact O-N 2.97Å; R411-E414 WeakPolarHBondContact O-CB 3.34Å; R411-E414 PolarHBondContact O-N 3.05Å
412Y97.9Very high92.3Very high64 Ų6463.2 Ų63.225%0.25130%0.299SS..Hα-helixtrans-55-36.8174.2-80.8-68.3000112.3P367 I370 Q374 F404 E408 L409P367-Y412 HydrophobicContact CB-CE1 4.3Å; P367-Y412 WeakPolarHBondContact CG-OH 3.25Å; I370-Y412 HydrophobicContact CB-CD1 4.36Å; I370-Y412 HydrophobicContact CD1-CD1 4.19Å; I370-Y412 HydrophobicContact CD1-CD2 3.74Å; I370-Y412 HydrophobicContact CD1-CE1 4.36Å; I370-Y412 HydrophobicContact CD1-CE2 3.92Å; I370-Y412 HydrophobicContact CD1-CG 3.89Å; I370-Y412 HydrophobicContact CG2-CD1 3.94Å; I370-Y412 HydrophobicContact CG2-CG 4.06Å; Q374-Y412 PolarHBondContact NE2-O 3.22Å; F404-Y412 HydrophobicContact CE1-CD2 4.03Å; F404-Y412 AromaticContact CE1-CE2 3.95Å; F404-Y412 HydrophobicContact CE1-CE2 3.95Å; E408-Y412 HydrophobicContact CG-CD2 4.26Å; E408-Y412 HydrophobicContact CG-CE2 3.82Å; E408-Y412 VanDerWaalsContact O-CD2 3.29Å; E408-Y412 WeakPolarHBondContact O-CD2 3.32Å; E408-Y412 PolarHBondContact O-N 3.12Å; E408-Y412 VanDerWaalsContact O-N 3.12Å; L409-Y412 PolarHBondContact O-N 3.32Å
413Y97.1Very high91.9Very high0 Ų063.8 Ų63.80%030%0.302CS..THydrogen-bonded Turntrans-106.433.3-177.6-73.9-97.6000113.3I370 Q374 N383 I385 L409 R410 R411 G415 W416 K418 M445 A447I370-Y413 HydrophobicContact CG2-CE2 3.77Å; Q374-Y413 HydrophobicContact CG-CD1 4.5Å; Q374-Y413 HydrophobicContact CG-CE1 3.86Å; N383-Y413 HydrophobicContact CB-CE1 3.71Å; N383-Y413 WeakPolarHBondContact OD1-CE1 3.47Å; N383-Y413 PolarHBondContact OD1-OH 3.26Å; I385-Y413 HydrophobicContact CD1-CE2 3.71Å; I385-Y413 WeakPolarHBondContact CD1-OH 3.45Å; L409-Y413 HydrophobicContact CD1-CD2 3.99Å; L409-Y413 HydrophobicContact CD1-CE2 3.94Å; L409-Y413 PolarHBondContact O-N 2.99Å; R410-Y413 CarbonylContact O-C 3.42Å; R410-Y413 PolarHBondContact O-N 2.6Å; R411-Y413 PolarHBondContact O-N 2.97Å; Y413-G415 PolarHBondContact O-N 3.05Å; Y413-W416 HydrophobicContact CD1-CB 4.1Å; Y413-W416 AromaticContact CD1-CD2 3.64Å; Y413-W416 HydrophobicContact CD1-CD2 3.64Å; Y413-W416 AromaticContact CD1-CE3 3.84Å; Y413-W416 HydrophobicContact CD1-CE3 3.84Å; Y413-W416 AromaticContact CD1-CG 3.75Å; Y413-W416 HydrophobicContact CD1-CG 3.75Å; Y413-W416 HydrophobicContact CD1-CZ3 4.47Å; Y413-W416 AromaticContact CE1-CD2 4Å; Y413-W416 HydrophobicContact CE1-CD2 4Å; Y413-W416 AromaticContact CE1-CE3 3.92Å; Y413-W416 HydrophobicContact CE1-CE3 3.92Å; Y413-W416 HydrophobicContact CE1-CH2 4.3Å; Y413-W416 HydrophobicContact CE1-CZ2 4.41Å; Y413-W416 HydrophobicContact CE1-CZ3 4.08Å; Y413-W416 PolarHBondContact O-N 3.17Å; Y413-K418 PolarHBondContact O-NZ 3.11Å; Y413-M445 HydrophobicContact CD1-CE 3.62Å; Y413-M445 HydrophobicContact CD1-SD 4.28Å; Y413-M445 HydrophobicContact CD2-CE 3.13Å; Y413-M445 HydrophobicContact CD2-SD 3.76Å; Y413-M445 HydrophobicContact CE1-CE 3.75Å; Y413-M445 HydrophobicContact CE2-CE 3.27Å; Y413-M445 HydrophobicContact CE2-SD 4.47Å; Y413-M445 HydrophobicContact CG-CE 3.3Å; Y413-M445 HydrophobicContact CG-SD 3.63Å; Y413-A447 HydrophobicContact CD1-CB 3.72Å; Y413-A447 HydrophobicContact CE1-CB 4.29Å; Y413-A447 HydrophobicContact CG-CB 4.33Å
414E95.8Very high90.9Very high156 Ų15667.4 Ų67.473%0.72932%0.319SS*.THydrogen-bonded Turntrans-59-44.2-178-175.2156.5-144.200112.4R410 R411 W416 K418R410-E414 PolarHBondContact O-N 3.19Å; R411-E414 WeakPolarHBondContact O-CB 3.34Å; R411-E414 PolarHBondContact O-N 3.05Å; E414-W416 VanDerWaalsContact C-N 3.26Å; E414-W416 PolarHBondContact O-N 3.19Å; E414-K418 PolarHBondContact O-NZ 3.29Å
415G94.7Very high90Very high52 Ų5270.3 Ų70.354%0.53634%0.337SS..THydrogen-bonded Turntrans-74.5-5178.900000116Y413 K450Y413-G415 PolarHBondContact O-N 3.05Å; G415-K450 WeakPolarHBondContact O-CD 3.38Å; G415-K450 WeakPolarHBondContact O-CE 3.49Å
416W96.9Very high88.7Confident23 Ų2366.3 Ų66.39%0.08733%0.326CS..SBendtrans-101151-175.1-70.451.9000111.8Q374 T377 N383 Y413 E414 K418 A447 R448 K449Q374-W416 HydrophobicContact CB-CZ2 3.77Å; Q374-W416 HydrophobicContact CG-CH2 4.45Å; Q374-W416 HydrophobicContact CG-CZ2 3.75Å; T377-W416 HydrophobicContact CG2-CH2 3.67Å; T377-W416 HydrophobicContact CG2-CZ3 4.05Å; N383-W416 HydrophobicContact CB-CZ3 4.04Å; Y413-W416 HydrophobicContact CD1-CB 4.1Å; Y413-W416 AromaticContact CD1-CD2 3.64Å; Y413-W416 HydrophobicContact CD1-CD2 3.64Å; Y413-W416 AromaticContact CD1-CE3 3.84Å; Y413-W416 HydrophobicContact CD1-CE3 3.84Å; Y413-W416 AromaticContact CD1-CG 3.75Å; Y413-W416 HydrophobicContact CD1-CG 3.75Å; Y413-W416 HydrophobicContact CD1-CZ3 4.47Å; Y413-W416 AromaticContact CE1-CD2 4Å; Y413-W416 HydrophobicContact CE1-CD2 4Å; Y413-W416 AromaticContact CE1-CE3 3.92Å; Y413-W416 HydrophobicContact CE1-CE3 3.92Å; Y413-W416 HydrophobicContact CE1-CH2 4.3Å; Y413-W416 HydrophobicContact CE1-CZ2 4.41Å; Y413-W416 HydrophobicContact CE1-CZ3 4.08Å; Y413-W416 PolarHBondContact O-N 3.17Å; E414-W416 VanDerWaalsContact C-N 3.26Å; E414-W416 PolarHBondContact O-N 3.19Å; W416-K418 PolarHBondContact O-N 3.02Å; W416-K418 PolarHBondContact O-NZ 3.08Å; W416-A447 HydrophobicContact CB-CB 4.1Å; W416-A447 HydrophobicContact CE3-CB 3.98Å; W416-R448 WeakPolarHBondContact CB-O 3.48Å; W416-K449 HydrophobicContact CD2-CB 4.05Å; W416-K449 HydrophobicContact CD2-CG 4.29Å; W416-K449 VanDerWaalsContact CE3-CA 3.49Å; W416-K449 HydrophobicContact CE3-CB 3.84Å; W416-K449 HydrophobicContact CH2-CB 3.6Å; W416-K449 HydrophobicContact CH2-CD 3.92Å; W416-K449 HydrophobicContact CH2-CG 3.95Å; W416-K449 HydrophobicContact CZ2-CB 3.78Å; W416-K449 HydrophobicContact CZ2-CD 3.62Å; W416-K449 HydrophobicContact CZ2-CG 3.6Å; W416-K449 HydrophobicContact CZ3-CB 3.61Å; W416-K449 HydrophobicContact CZ3-CG 4.38Å
417E91.9Very high87.5Confident97 Ų9763.8 Ų63.845%0.45331%0.314SS..EExtended strand (participates in β ladder)trans-73.2114.4170.5179.5-169.9-174.400109V419 A447 R448E417-V419 PolarHBondContact O-N 3.03Å; E417-A447 CarbonylContact O-C 3.55Å; E417-A447 VanDerWaalsContact O-CA 3.24Å; E417-A447 WeakPolarHBondContact O-CA 3.19Å; E417-R448 HydrophobicContact CB-CB 4.23Å; E417-R448 PolarHBondContact N-O 2.99Å; E417-R448 PolarHBondContact O-N 3.05Å
418K86Confident86.2Confident67 Ų6764 Ų6429%0.29131%0.311SS..EExtended strand (participates in β ladder)trans-85.689.7178.1-74.9158.8-76.6-660109.1R410 Y413 E414 W416 K420 M445R410-K418 HydrophobicContact CG-CD 4.25Å; Y413-K418 PolarHBondContact O-NZ 3.11Å; E414-K418 PolarHBondContact O-NZ 3.29Å; W416-K418 PolarHBondContact O-N 3.02Å; W416-K418 PolarHBondContact O-NZ 3.08Å; K418-K420 PolarHBondContact O-N 3.17Å; K418-M445 HydrophobicContact CG-SD 4.47Å
419V77.9Confident84.8Confident58 Ų5870.7 Ų70.735%0.35234%0.342SS..EExtended strand (participates in β ladder)trans-57.9-38.4174.1179.50000110.7V281 Y382 E417 L446 R448V281-V419 HydrophobicContact CG1-CG1 4.1Å; V281-V419 HydrophobicContact CG1-CG2 4.42Å; V281-V419 HydrophobicContact CG2-CG1 4.21Å; Y382-V419 HydrophobicContact CE1-CG2 3.95Å; E417-V419 PolarHBondContact O-N 3.03Å; V419-L446 HydrophobicContact CB-CD2 4.19Å; V419-L446 HydrophobicContact CB-CG 4.22Å; V419-L446 HydrophobicContact CG1-CD2 4.02Å; V419-L446 PolarHBondContact N-O 3.31Å; V419-R448 HydrophobicContact CG2-CB 4.34Å
420K75.4Confident83.6Confident97 Ų9778.4 Ų78.442%0.42237%0.371SS..EExtended strand (participates in β ladder)trans-142.6135.9170.3-174.9175.3179.1178.70109.7K418 M445 L446K418-K420 PolarHBondContact O-N 3.17Å; K420-M445 CarbonylContact O-C 3.55Å; K420-M445 VanDerWaalsContact O-CA 3.26Å; K420-M445 WeakPolarHBondContact O-CA 3.37Å; K420-L446 HydrophobicContact CB-CB 4.16Å; K420-L446 PolarHBondContact N-O 2.91Å; K420-L446 PolarHBondContact O-N 2.89Å
421Y81.5Confident82.7Confident54 Ų5475.1 Ų75.121%0.21237%0.368CS..EExtended strand (participates in β ladder)trans-148.7127168.3-173.7-89000109.7L409 R410 E423 T444 M445L409-Y421 HydrophobicContact CB-CE2 4.14Å; L409-Y421 HydrophobicContact CD2-CE2 4.38Å; L409-Y421 HydrophobicContact CG-CE2 4.23Å; R410-Y421 HydrophobicContact CB-CD2 4.42Å; R410-Y421 HydrophobicContact CB-CE1 3.97Å; R410-Y421 HydrophobicContact CB-CE2 3.73Å; R410-Y421 VanDerWaalsContact CB-CZ 3.48Å; R410-Y421 WeakPolarHBondContact CB-OH 3.48Å; R410-Y421 PolarHBondContact N-OH 3.08Å; R410-Y421 VanDerWaalsContact N-OH 3.16Å; Y421-E423 HydrophobicContact CE1-CG 3.85Å; Y421-E423 PolarHBondContact OH-OE1 2.95Å; Y421-T444 WeakPolarHBondContact CA-O 3.5Å; Y421-M445 HydrophobicContact CD2-CB 3.83Å; Y421-M445 HydrophobicContact CD2-CG 3.81Å; Y421-M445 HydrophobicContact CD2-SD 4.07Å; Y421-M445 HydrophobicContact CE2-CB 4.36Å; Y421-M445 HydrophobicContact CE2-SD 4.42Å
422N77.8Confident81.9Confident37 Ų3771.1 Ų71.120%0.19836%0.357CS..EExtended strand (participates in β ladder)trans-151.6167167.565.638000110.9D424 T444N422-D424 PolarHBondContact ND2-OD2 2.86Å; N422-D424 PolarHBondContact OD1-OD2 2.71Å; N422-T444 PolarHBondContact N-O 2.69Å; N422-T444 PolarHBondContact O-N 2.91Å; N422-T444 WeakPolarHBondContact OD1-CB 3.45Å
423E88.5Confident81.2Confident30 Ų3073.2 Ų73.214%0.1439%0.388CS..EExtended strand (participates in β ladder)trans-129.250179.8-67.1-176.6173.200108.8M389 E406 G407 Y421 R441 F442M389-E423 HydrophobicContact CE-CB 3.85Å; M389-E423 HydrophobicContact CE-CG 3.64Å; M389-E423 WeakPolarHBondContact CE-OE2 3.21Å; M389-E423 HydrophobicContact SD-CB 3.59Å; M389-E423 VanDerWaalsContact SD-CB 3.59Å; M389-E423 HydrophobicContact SD-CG 3.6Å; E406-E423 WeakPolarHBondContact CG-OE2 3.46Å; G407-E423 VanDerWaalsContact CA-OE1 3.28Å; G407-E423 WeakPolarHBondContact CA-OE1 3.44Å; G407-E423 PolarHBondContact N-OE1 2.65Å; Y421-E423 HydrophobicContact CE1-CG 3.85Å; Y421-E423 PolarHBondContact OH-OE1 2.95Å; E423-R441 PolarHBondContact O-NH1 3.03Å; E423-F442 WeakPolarHBondContact CA-O 3.34Å
424D73.9Confident80.6Confident91 Ų9179.6 Ų79.649%0.48742%0.422SS..EExtended strand (participates in β ladder)trans-77.3157.8-170.4-64.5-21.5000111.9N422 G426 R441 F442N422-D424 PolarHBondContact ND2-OD2 2.86Å; N422-D424 PolarHBondContact OD1-OD2 2.71Å; D424-G426 PolarHBondContact O-N 3.08Å; D424-R441 WeakPolarHBondContact O-CA 3.19Å; D424-F442 PolarHBondContact N-O 3.12Å; D424-F442 PolarHBondContact O-N 3.45Å
425V76.8Confident79.8Confident61 Ų6174.5 Ų74.537%0.3741%0.411SS..EExtended strand (participates in β ladder)trans-74.8124.6175.6-176.50000109.4Y394 K439 R441Y394-V425 HydrophobicContact CD1-CG1 4.37Å; Y394-V425 HydrophobicContact CD2-CG2 3.95Å; Y394-V425 HydrophobicContact CE1-CG1 3.81Å; Y394-V425 HydrophobicContact CE1-CG2 4.39Å; Y394-V425 HydrophobicContact CE2-CB 4.49Å; Y394-V425 HydrophobicContact CE2-CG1 4.29Å; Y394-V425 HydrophobicContact CE2-CG2 3.36Å; V425-K439 HydrophobicContact CG1-CB 4.15Å; V425-K439 HydrophobicContact CG1-CD 4.45Å; V425-R441 HydrophobicContact CG2-CG 4.16Å
426G70.8Confident79Confident22 Ų2276.6 Ų76.623%0.22741%0.41CS..EExtended strand (participates in β ladder)trans-122.4171.217400000112.1D424 K439 L440D424-G426 PolarHBondContact O-N 3.08Å; G426-K439 WeakPolarHBondContact O-CA 3.41Å; G426-L440 PolarHBondContact N-O 3.06Å; G426-L440 PolarHBondContact O-N 3.31Å; G426-L440 VanDerWaalsContact O-O 3.06Å
427E71.5Confident77.9Confident87 Ų8780.5 Ų80.541%0.40743%0.425SS..EExtended strand (participates in β ladder)trans-118.4126.1-178.5-74.9178.9-179.300111.2R437 I438 K439E427-R437 HydrophobicContact CB-CB 3.96Å; E427-R437 HydrophobicContact CG-CB 4.19Å; E427-R437 PolarHBondContact O-NH2 2.91Å; E427-R437 WeakPolarHBondContact OE2-CD 3.4Å; E427-R437 IonicContact OE2-CZ 3.46Å; E427-R437 IonicContact OE2-NE 3.96Å; E427-R437 IonicContact OE2-NH1 3.66Å; E427-R437 PolarHBondContact OE2-NH1 3.15Å; E427-I438 WeakPolarHBondContact CA-O 3.35Å; E427-K439 HydrophobicContact CG-CG 3.9Å; E427-K439 VanDerWaalsContact OE1-CE 3.26Å; E427-K439 WeakPolarHBondContact OE1-CE 3.36Å; E427-K439 IonicContact OE1-NZ 3.16Å
428L68.3Low77.2Confident21 Ų2177.7 Ų77.711%0.1141%0.413CS..EExtended strand (participates in β ladder)trans-68.2158.9170.4-68175.2000111.1V398 F400 R430 R437 I438 L440 F442V398-L428 HydrophobicContact CB-CD1 4.45Å; V398-L428 HydrophobicContact CG1-CD1 4.03Å; V398-L428 HydrophobicContact CG2-CD1 3.8Å; F400-L428 HydrophobicContact CE2-CD1 4.2Å; F400-L428 HydrophobicContact CE2-CD2 4.43Å; F400-L428 HydrophobicContact CZ-CD1 4.28Å; F400-L428 HydrophobicContact CZ-CD2 4.27Å; L428-R430 VanDerWaalsContact C-N 3.26Å; L428-R437 WeakPolarHBondContact O-CB 3.29Å; L428-R437 PolarHBondContact O-NE 3.16Å; L428-I438 HydrophobicContact CB-CB 4.33Å; L428-I438 HydrophobicContact CD1-CB 4.15Å; L428-I438 HydrophobicContact CD1-CG2 4.1Å; L428-I438 PolarHBondContact N-O 3.22Å; L428-L440 HydrophobicContact CD1-CD1 3.9Å; L428-L440 HydrophobicContact CG-CD1 4.5Å; L428-F442 HydrophobicContact CD2-CE1 4.42Å; L428-F442 HydrophobicContact CD2-CZ 3.7Å; L428-F442 HydrophobicContact CG-CZ 4.3Å
429H69Low77.1Confident176 Ų17679.9 Ų79.982%0.81542%0.422SS*.EExtended strand (participates in β ladder)trans-71.7-22.6169.7-73-71.7000112.8
430R71.2Confident77.4Confident161 Ų16177.2 Ų77.261%0.60841%0.406SS*.EExtended strand (participates in β ladder)trans-73.8144.5174.4-71.9-174.3179.3177-0.6110.7L428 I438L428-R430 VanDerWaalsContact C-N 3.26Å; R430-I438 HydrophobicContact CB-CD1 4.17Å; R430-I438 PolarHBondContact O-N 2.72Å
431T76.6Confident77.9Confident80 Ų8075.7 Ų75.749%0.49140%0.397SS..EExtended strand (participates in β ladder)trans-100.6152.6176.455.20000111.8G435 N436T431-G435 VanDerWaalsContact CG2-O 3.29Å; T431-G435 WeakPolarHBondContact CG2-O 3.42Å; T431-N436 CarbonylContact C-O 3.58Å; T431-N436 WeakPolarHBondContact CA-O 3.11Å
432D80Confident77.9Confident60 Ų6074.1 Ų74.132%0.32139%0.392SS..  trans-75.3-176.9168.769.510.9000111.6N434 G435 N436 I438D432-N434 PolarHBondContact O-N 3.24Å; D432-N434 VanDerWaalsContact O-N 3.12Å; D432-N434 WeakPolarHBondContact OD1-CA 3.41Å; D432-N434 WeakPolarHBondContact OD1-CB 3.29Å; D432-N434 PolarHBondContact OD1-N 2.97Å; D432-G435 PolarHBondContact O-N 3.36Å; D432-G435 PolarHBondContact OD1-N 2.84Å; D432-G435 VanDerWaalsContact OD1-N 3.08Å; D432-N436 PolarHBondContact N-O 2.99Å; D432-N436 PolarHBondContact OD1-N 2.74Å; D432-I438 HydrophobicContact CB-CG1 4.2Å
433A84.1Confident78.1Confident108 Ų10872.3 Ų72.389%0.89338%0.382SS*.THydrogen-bonded Turntrans-60.9-18.1178.300000113.9
434N84.4Confident77.8Confident133 Ų13371.6 Ų71.671%0.71138%0.38SS*.THydrogen-bonded Turntrans-98.12.6179.1-59.2-44.9000112.5D432 N436D432-N434 PolarHBondContact O-N 3.24Å; D432-N434 VanDerWaalsContact O-N 3.12Å; D432-N434 WeakPolarHBondContact OD1-CA 3.41Å; D432-N434 WeakPolarHBondContact OD1-CB 3.29Å; D432-N434 PolarHBondContact OD1-N 2.97Å; N434-N436 VanDerWaalsContact C-N 3.3Å
435G78.9Confident78.4Confident49 Ų4967.2 Ų67.251%0.50536%0.357SS..SBendtrans80.15.9-176.800000114.5T431 D432T431-G435 VanDerWaalsContact CG2-O 3.29Å; T431-G435 WeakPolarHBondContact CG2-O 3.42Å; D432-G435 PolarHBondContact O-N 3.36Å; D432-G435 PolarHBondContact OD1-N 2.84Å; D432-G435 VanDerWaalsContact OD1-N 3.08Å
436N77.4Confident78.9Confident97 Ų9765.7 Ų65.752%0.51935%0.346SS..PPolyproline II helixtrans-84.1144.2176.4-57.8-55.4000110.2T431 D432 N434 I438T431-N436 CarbonylContact C-O 3.58Å; T431-N436 WeakPolarHBondContact CA-O 3.11Å; D432-N436 PolarHBondContact N-O 2.99Å; D432-N436 PolarHBondContact OD1-N 2.74Å; N434-N436 VanDerWaalsContact C-N 3.3Å; N436-I438 PolarHBondContact O-N 3.29Å
437R74.9Confident79.7Confident104 Ų10464.6 Ų64.639%0.39234%0.335SS..EExtended strand (participates in β ladder)trans-61.8131.5174.2-68.5178.669.7-174.22.6110.3E427 L428 K439E427-R437 HydrophobicContact CB-CB 3.96Å; E427-R437 HydrophobicContact CG-CB 4.19Å; E427-R437 PolarHBondContact O-NH2 2.91Å; E427-R437 WeakPolarHBondContact OE2-CD 3.4Å; E427-R437 IonicContact OE2-CZ 3.46Å; E427-R437 IonicContact OE2-NE 3.96Å; E427-R437 IonicContact OE2-NH1 3.66Å; E427-R437 PolarHBondContact OE2-NH1 3.15Å; L428-R437 WeakPolarHBondContact O-CB 3.29Å; L428-R437 PolarHBondContact O-NE 3.16Å; R437-K439 PolarHBondContact O-N 3.38Å
438I77.4Confident80.7Confident39 Ų3965.1 Ų65.120%0.233%0.333CS..EExtended strand (participates in β ladder)trans-66.4123.4-179.2-61.2170.2000108.7V398 E427 L428 R430 D432 N436 L440V398-I438 HydrophobicContact CG2-CD1 4.37Å; V398-I438 HydrophobicContact CG2-CG2 3.94Å; E427-I438 WeakPolarHBondContact CA-O 3.35Å; L428-I438 HydrophobicContact CB-CB 4.33Å; L428-I438 HydrophobicContact CD1-CB 4.15Å; L428-I438 HydrophobicContact CD1-CG2 4.1Å; L428-I438 PolarHBondContact N-O 3.22Å; R430-I438 HydrophobicContact CB-CD1 4.17Å; R430-I438 PolarHBondContact O-N 2.72Å; D432-I438 HydrophobicContact CB-CG1 4.2Å; N436-I438 PolarHBondContact O-N 3.29Å; I438-L440 HydrophobicContact CG2-CG 4.44Å
439K82.2Confident82Confident112 Ų11266.6 Ų66.649%0.48734%0.339SS..EExtended strand (participates in β ladder)trans-89.5130.7177-68.8-177178.6-173.90110.6Y394 V425 G426 E427 R437Y394-K439 HydrophobicContact CD1-CB 4.06Å; Y394-K439 HydrophobicContact CE1-CB 3.82Å; V425-K439 HydrophobicContact CG1-CB 4.15Å; V425-K439 HydrophobicContact CG1-CD 4.45Å; G426-K439 WeakPolarHBondContact O-CA 3.41Å; E427-K439 HydrophobicContact CG-CG 3.9Å; E427-K439 VanDerWaalsContact OE1-CE 3.26Å; E427-K439 WeakPolarHBondContact OE1-CE 3.36Å; E427-K439 IonicContact OE1-NZ 3.16Å; R437-K439 PolarHBondContact O-N 3.38Å
440L84Confident83.1Confident2 Ų267.4 Ų67.41%0.0134%0.34CS..EExtended strand (participates in β ladder)trans-140.1157.8171.8-71.6178.8000109.4A388 P395 C396 V398 F400 G426 L428 I438 F442A388-L440 HydrophobicContact CB-CD1 4.3Å; P395-L440 WeakPolarHBondContact O-CD2 3.43Å; C396-L440 HydrophobicContact CB-CD2 4.37Å; V398-L440 HydrophobicContact CG2-CD1 3.95Å; F400-L440 HydrophobicContact CE2-CD1 4.19Å; G426-L440 PolarHBondContact N-O 3.06Å; G426-L440 PolarHBondContact O-N 3.31Å; G426-L440 VanDerWaalsContact O-O 3.06Å; L428-L440 HydrophobicContact CD1-CD1 3.9Å; L428-L440 HydrophobicContact CG-CD1 4.5Å; I438-L440 HydrophobicContact CG2-CG 4.44Å; L440-F442 HydrophobicContact CB-CE2 4.05Å; L440-F442 WeakPolarHBondContact O-CD2 3.34Å
441R87Confident83.6Confident65 Ų6562.7 Ų62.725%0.24533%0.326CS..EExtended strand (participates in β ladder)trans-74.6145.9164.9-72.9-175.3179-83.2-0.1110.5M389 T391 D393 Y394 E423 D424 V425M389-R441 HydrophobicContact CB-CB 3.97Å; M389-R441 WeakPolarHBondContact CB-O 3.37Å; M389-R441 HydrophobicContact CG-CB 4.41Å; M389-R441 PolarHBondContact N-O 3.35Å; M389-R441 HydrophobicContact SD-CB 3.85Å; T391-R441 HydrophobicContact CG2-CB 4.46Å; T391-R441 WeakPolarHBondContact OG1-CD 3.39Å; D393-R441 IonicContact OD1-NE 3.19Å; D393-R441 PolarHBondContact OD1-NE 3Å; D393-R441 IonicContact OD2-CZ 2.62Å; D393-R441 IonicContact OD2-NE 2.68Å; D393-R441 PolarHBondContact OD2-NE 2.86Å; D393-R441 IonicContact OD2-NH2 3.45Å; D393-R441 PolarHBondContact OD2-NH2 3.12Å; Y394-R441 HydrophobicContact CD2-CG 3.88Å; Y394-R441 HydrophobicContact CG-CG 4.3Å; E423-R441 PolarHBondContact O-NH1 3.03Å; D424-R441 WeakPolarHBondContact O-CA 3.19Å; V425-R441 HydrophobicContact CG2-CG 4.16Å
442F80.6Confident84Confident21 Ų2161.8 Ų61.89%0.09232%0.318CS..EExtended strand (participates in β ladder)trans-125.2125174.2-71.5-98.9000109.9M359 V386 A387 A388 E423 D424 L428 L440 T444M359-F442 HydrophobicContact CE-CE1 3.92Å; V386-F442 HydrophobicContact CG1-CD1 4.33Å; A387-F442 CarbonylContact O-C 3.48Å; A387-F442 VanDerWaalsContact O-CA 3.27Å; A387-F442 WeakPolarHBondContact O-CA 3.14Å; A388-F442 HydrophobicContact CB-CD1 4.5Å; A388-F442 HydrophobicContact CB-CE1 4.18Å; E423-F442 WeakPolarHBondContact CA-O 3.34Å; D424-F442 PolarHBondContact N-O 3.12Å; D424-F442 PolarHBondContact O-N 3.45Å; L428-F442 HydrophobicContact CD2-CE1 4.42Å; L428-F442 HydrophobicContact CD2-CZ 3.7Å; L428-F442 HydrophobicContact CG-CZ 4.3Å; L440-F442 HydrophobicContact CB-CE2 4.05Å; L440-F442 WeakPolarHBondContact O-CD2 3.34Å; F442-T444 PolarHBondContact O-N 3Å
443A83.7Confident84.2Confident0 Ų061.9 Ų61.90%032%0.318CS..EExtended strand (participates in β ladder)trans-75.1111.3169.100000107.6V386 A387 M389 F404 L409V386-A443 WeakPolarHBondContact CA-O 3.39Å; A387-A443 PolarHBondContact N-O 3Å; A387-A443 VanDerWaalsContact N-O 3.13Å; A387-A443 PolarHBondContact O-N 3.41Å; M389-A443 HydrophobicContact CG-CB 3.92Å; M389-A443 HydrophobicContact SD-CB 3.86Å; M389-A443 PolarHBondContact SD-N 3.43Å; M389-A443 VanDerWaalsContact SD-N 3.41Å; F404-A443 HydrophobicContact CD2-CB 4.44Å; L409-A443 HydrophobicContact CB-CB 4.14Å; L409-A443 HydrophobicContact CD2-CB 3.7Å
444T80.3Confident84.2Confident14 Ų1459.2 Ų59.29%0.08628%0.284CS..EExtended strand (participates in β ladder)trans-112.9118.5177-61.80000109.1I385 V386 Y421 N422 F442I385-T444 WeakPolarHBondContact O-CA 3.26Å; V386-T444 HydrophobicContact CG2-CG2 4.08Å; Y421-T444 WeakPolarHBondContact CA-O 3.5Å; N422-T444 PolarHBondContact N-O 2.69Å; N422-T444 PolarHBondContact O-N 2.91Å; N422-T444 WeakPolarHBondContact OD1-CB 3.45Å; F442-T444 PolarHBondContact O-N 3Å
445M87.2Confident84.2Confident0 Ų054.6 Ų54.60%026%0.257CS..EExtended strand (participates in β ladder)trans-137.6131.2-177.3-176.8-172.671.300112.1L384 I385 L409 Y413 K418 K420 Y421 A447L384-M445 CarbonylContact C-O 3.37Å; L384-M445 VanDerWaalsContact CA-O 3.31Å; L384-M445 WeakPolarHBondContact CA-O 3.4Å; L384-M445 WeakPolarHBondContact CD1-O 3.27Å; I385-M445 HydrophobicContact CD1-CE 4.33Å; I385-M445 PolarHBondContact N-O 3.4Å; I385-M445 PolarHBondContact O-N 3.23Å; L409-M445 HydrophobicContact CD1-CE 4.09Å; L409-M445 HydrophobicContact CD2-CB 3.79Å; L409-M445 HydrophobicContact CD2-CE 4.38Å; L409-M445 HydrophobicContact CD2-SD 4.45Å; L409-M445 HydrophobicContact CG-CB 4.44Å; L409-M445 HydrophobicContact CG-CE 4.16Å; L409-M445 HydrophobicContact CG-SD 4.11Å; Y413-M445 HydrophobicContact CD1-CE 3.62Å; Y413-M445 HydrophobicContact CD1-SD 4.28Å; Y413-M445 HydrophobicContact CD2-CE 3.13Å; Y413-M445 HydrophobicContact CD2-SD 3.76Å; Y413-M445 HydrophobicContact CE1-CE 3.75Å; Y413-M445 HydrophobicContact CE2-CE 3.27Å; Y413-M445 HydrophobicContact CE2-SD 4.47Å; Y413-M445 HydrophobicContact CG-CE 3.3Å; Y413-M445 HydrophobicContact CG-SD 3.63Å; K418-M445 HydrophobicContact CG-SD 4.47Å; K420-M445 CarbonylContact O-C 3.55Å; K420-M445 VanDerWaalsContact O-CA 3.26Å; K420-M445 WeakPolarHBondContact O-CA 3.37Å; Y421-M445 HydrophobicContact CD2-CB 3.83Å; Y421-M445 HydrophobicContact CD2-CG 3.81Å; Y421-M445 HydrophobicContact CD2-SD 4.07Å; Y421-M445 HydrophobicContact CE2-CB 4.36Å; Y421-M445 HydrophobicContact CE2-SD 4.42Å; M445-A447 HydrophobicContact CE-CB 3.88Å; M445-A447 HydrophobicContact CG-CB 4.03Å; M445-A447 HydrophobicContact SD-CB 3.88Å
446L86.6Confident84.6Confident28 Ų2854.9 Ų54.915%0.14724%0.241CC..EExtended strand (participates in β ladder)trans-112.3114.2158.817965.4000107.4V282 F351 Y382 N383 L384 V419 K420V282-L446 HydrophobicContact CG2-CD1 4.17Å; F351-L446 HydrophobicContact CE2-CD1 4.36Å; Y382-L446 HydrophobicContact CD1-CD1 4.04Å; Y382-L446 HydrophobicContact CD1-CG 4.24Å; Y382-L446 HydrophobicContact CG-CD1 4.48Å; N383-L446 WeakPolarHBondContact O-CA 3.47Å; L384-L446 HydrophobicContact CB-CD1 4.24Å; L384-L446 HydrophobicContact CD1-CB 4.46Å; V419-L446 HydrophobicContact CB-CD2 4.19Å; V419-L446 HydrophobicContact CB-CG 4.22Å; V419-L446 HydrophobicContact CG1-CD2 4.02Å; V419-L446 PolarHBondContact N-O 3.31Å; K420-L446 HydrophobicContact CB-CB 4.16Å; K420-L446 PolarHBondContact N-O 2.91Å; K420-L446 PolarHBondContact O-N 2.89Å
447A89.2Confident85.1Confident0 Ų051.9 Ų51.90%022%0.221CC..EExtended strand (participates in β ladder)trans-121.7137.3-178.700000111Y382 N383 Y413 W416 E417 M445Y382-A447 CarbonylContact C-O 3.55Å; Y382-A447 VanDerWaalsContact CA-O 3.29Å; Y382-A447 WeakPolarHBondContact CA-O 3.39Å; N383-A447 PolarHBondContact N-O 3.38Å; N383-A447 PolarHBondContact O-N 2.66Å; Y413-A447 HydrophobicContact CD1-CB 3.72Å; Y413-A447 HydrophobicContact CE1-CB 4.29Å; Y413-A447 HydrophobicContact CG-CB 4.33Å; W416-A447 HydrophobicContact CB-CB 4.1Å; W416-A447 HydrophobicContact CE3-CB 3.98Å; E417-A447 CarbonylContact O-C 3.55Å; E417-A447 VanDerWaalsContact O-CA 3.24Å; E417-A447 WeakPolarHBondContact O-CA 3.19Å; M445-A447 HydrophobicContact CE-CB 3.88Å; M445-A447 HydrophobicContact CG-CB 4.03Å; M445-A447 HydrophobicContact SD-CB 3.88Å
448R92.4Very high85.9Confident98 Ų9847.9 Ų47.937%0.3721%0.208SC..EExtended strand (participates in β ladder)trans-101.4132.5174.9-166.2-171.7-170.8-170.4-3110.4G380 G381 Y382 W416 E417 V419G380-R448 WeakPolarHBondContact O-CG 3.1Å; G380-R448 PolarHBondContact O-NE 3.15Å; G381-R448 CarbonylContact O-C 3.49Å; G381-R448 WeakPolarHBondContact O-CA 3.32Å; Y382-R448 HydrophobicContact CD1-CB 3.77Å; Y382-R448 HydrophobicContact CD1-CG 4.02Å; Y382-R448 HydrophobicContact CD2-CG 4.39Å; Y382-R448 HydrophobicContact CE1-CB 3.51Å; Y382-R448 HydrophobicContact CE1-CG 3.59Å; Y382-R448 HydrophobicContact CE2-CG 3.98Å; Y382-R448 HydrophobicContact CG-CG 4.4Å; Y382-R448 VanDerWaalsContact OH-CD 3.29Å; Y382-R448 WeakPolarHBondContact OH-CD 3.3Å; Y382-R448 PolarHBondContact OH-NE 2.94Å; W416-R448 WeakPolarHBondContact CB-O 3.48Å; E417-R448 HydrophobicContact CB-CB 4.23Å; E417-R448 PolarHBondContact N-O 2.99Å; E417-R448 PolarHBondContact O-N 3.05Å; V419-R448 HydrophobicContact CG2-CB 4.34Å
449K95.4Very high86.6Confident51 Ų5148.7 Ų48.722%0.22221%0.208CC..  trans-71.9130.9172.5-162.3170.8178.9174.40108.3Q374 R375 T377 G380 G381 W416Q374-K449 PolarHBondContact O-NZ 3.1Å; R375-K449 PolarHBondContact O-NZ 3.02Å; T377-K449 HydrophobicContact CG2-CB 4.38Å; T377-K449 HydrophobicContact CG2-CD 4.48Å; T377-K449 WeakPolarHBondContact O-CD 3.37Å; T377-K449 WeakPolarHBondContact O-CE 3.43Å; T377-K449 PolarHBondContact O-NZ 3.2Å; G380-K449 VanDerWaalsContact CA-O 3.27Å; G380-K449 WeakPolarHBondContact CA-O 3.34Å; G380-K449 PolarHBondContact N-O 3.05Å; G381-K449 PolarHBondContact O-N 2.99Å; W416-K449 HydrophobicContact CD2-CB 4.05Å; W416-K449 HydrophobicContact CD2-CG 4.29Å; W416-K449 VanDerWaalsContact CE3-CA 3.49Å; W416-K449 HydrophobicContact CE3-CB 3.84Å; W416-K449 HydrophobicContact CH2-CB 3.6Å; W416-K449 HydrophobicContact CH2-CD 3.92Å; W416-K449 HydrophobicContact CH2-CG 3.95Å; W416-K449 HydrophobicContact CZ2-CB 3.78Å; W416-K449 HydrophobicContact CZ2-CD 3.62Å; W416-K449 HydrophobicContact CZ2-CG 3.6Å; W416-K449 HydrophobicContact CZ3-CB 3.61Å; W416-K449 HydrophobicContact CZ3-CG 4.38Å
450K90.6Very high87Confident193 Ų19342.9 Ų42.984%0.83918%0.183SC*.  trans-69.20178.7-67.4-175-178.9175.90112G415G415-K450 WeakPolarHBondContact O-CD 3.38Å; G415-K450 WeakPolarHBondContact O-CE 3.49Å

Retrieved 450 of 450 residues in 1389.9 ms (Link to these results)

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