A0A096N473_PAPAN Loading...

Ankyrin repeat domain 61

AlphaFold DB , UniProt , Accession A0A096N473, Species PAPAN (Papio anubis, Olive baboon), Gene ANKRD61, Length 415 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.3Very low30.4Very low250 Ų250160.5 Ų160.5100%1.23286%0.858SS**  0119.30-88165.6142.300108.4
2G32.1Very low30.5Very low79 Ų79159.6 Ų159.681%0.81485%0.852SS**  trans66.1107.1171.600000116
3N26.2Very low30.3Very low157 Ų157156.3 Ų156.384%0.8484%0.841SS**  cis66.193.841.7-88.77.3000117.3
4I33.5Very low30.6Very low150 Ų150154 Ų15477%0.76983%0.834SS**  trans9.5152134.5-17.8174.9000116.7
5P42Very low30.2Very low121 Ų121152.3 Ų152.379%0.78683%0.825SS**  cis-158.717637.943.1-18.3000123.4
6R32.2Very low30.1Very low236 Ų236146.4 Ų146.489%0.89180%0.798SS**  trans-65.4145.2160.7-77.6175.3163.2170.5-5.1113.7
7K28.9Very low30.4Very low217 Ų217144.4 Ų144.494%0.94381%0.806SS**  trans167.1146.3135.9-104.3178.8173.7178.80107.3
8G25.4Very low30.2Very low72 Ų72142.7 Ų142.774%0.74280%0.8SS**  cis-173.3175.810.900000109.8
9S28.4Very low30.5Very low116 Ų116140.4 Ų140.481%0.81179%0.794SS**  trans-92.1170.9-163.5-32.60000115.2
10R26.6Very low30.7Very low227 Ų227141.9 Ų141.986%0.85780%0.799SS**  trans93.9127166.4-59.2178.3173.5171.6-3.4113.5
11D25Very low30.9Very low141 Ų141143.9 Ų143.975%0.75480%0.802SS**  cis-135.1134.139.6-63.6-51000111.4
12L31.4Very low31.4Very low149 Ų149138.3 Ų138.378%0.7878%0.777SS**  41.173.581.9-76.9170.3000114.6
13V27.2Very low32.2Very low117 Ų117136 Ų13671%0.70975%0.753SS**  trans-121.8100.6142.7-178.20000107.6D15V13-D15 HydrophobicContact CG1-CB 4.21Å; V13-D15 PolarHBondContact O-N 3.45Å
14V34.9Very low33.8Very low124 Ų124134.3 Ų134.375%0.75275%0.751SS**  trans-71.1102.6156.5172.90000105.2
15D25.1Very low35.4Very low129 Ų129130.6 Ų130.669%0.6974%0.738SS**  trans-118.493.4157.1-97.6-34.4000106.3V13V13-D15 HydrophobicContact CG1-CB 4.21Å; V13-D15 PolarHBondContact O-N 3.45Å
16S28.6Very low36.7Very low58 Ų58126.1 Ų126.141%0.40671%0.711SS.*  59.684.195.973.90000108.3T18S16-T18 PolarHBondContact O-N 2.9Å; S16-T18 PolarHBondContact O-OG1 2.93Å; S16-T18 VanDerWaalsContact O-OG1 3.05Å
17A35.3Very low38.9Very low112 Ų112117.1 Ų117.193%0.92669%0.687SS**  34.651.792.500000112.3
18T27.3Very low41.4Very low113 Ų113108.3 Ų108.369%0.69365%0.65SS**  trans-107.492.3169.136.70000106.6S16 L20S16-T18 PolarHBondContact O-N 2.9Å; S16-T18 PolarHBondContact O-OG1 2.93Å; S16-T18 VanDerWaalsContact O-OG1 3.05Å; T18-L20 PolarHBondContact O-N 3.08Å
19S35.9Very low44.2Very low99 Ų99105.5 Ų105.569%0.69262%0.618SS**  trans1795.5147.751.80000114.7E21S19-E21 VanDerWaalsContact C-N 3.34Å; S19-E21 PolarHBondContact O-N 3Å
20L34.1Very low46.8Very low171 Ų171101.6 Ų101.690%0.89559%0.59SS**  trans-50.6109.3153.1-86.3156.8000106T18 D22T18-L20 PolarHBondContact O-N 3.08Å; L20-D22 PolarHBondContact O-N 2.85Å
21E35Very low49.6Very low184 Ų18497.2 Ų97.286%0.8658%0.578SS**  trans-48.5111.5-175.3-63.3-176.4149.900109.5S19 G23S19-E21 VanDerWaalsContact C-N 3.34Å; S19-E21 PolarHBondContact O-N 3Å; E21-G23 PolarHBondContact O-N 3.33Å
22D43.4Very low52.4Low133 Ų13390.5 Ų90.571%0.71154%0.542SS*.  trans-6382162.9-80.1-42.8000107L20L20-D22 PolarHBondContact O-N 2.85Å
23G49.1Very low55.1Low30 Ų3083.6 Ų83.631%0.30951%0.505SS..  trans-55152178.600000110.7E21 S25 A26 A27E21-G23 PolarHBondContact O-N 3.33Å; G23-S25 PolarHBondContact O-N 3.22Å; G23-A26 PolarHBondContact O-N 3.31Å; G23-A27 PolarHBondContact O-N 3.32Å
24P61.1Low57.9Low121 Ų12180.4 Ų80.479%0.78648%0.483SS*.Hα-helixtrans-54.6-25.9-176.619.2-31.5000113.6L28P24-L28 WeakPolarHBondContact O-CB 3.49Å; P24-L28 PolarHBondContact O-N 2.88Å
25S65.7Low60.4Low73 Ų7374.8 Ų74.851%0.5145%0.449SS..Hα-helixtrans-68.5-41174.7-179.30000113.5G23 L28 H29G23-S25 PolarHBondContact O-N 3.22Å; S25-L28 PolarHBondContact O-N 3.12Å; S25-H29 PolarHBondContact O-CD2 3.29Å; S25-H29 VanDerWaalsContact O-CG 3.31Å; S25-H29 PolarHBondContact O-N 3.11Å
26A70.9Confident63.4Low27 Ų2768.7 Ų68.722%0.22342%0.416CS..Hα-helixtrans-68.4-40.6179.400000111.9G23 L28 H29 S30 L60G23-A26 PolarHBondContact O-N 3.31Å; A26-L28 VanDerWaalsContact C-N 3.31Å; A26-L28 PolarHBondContact O-N 3.38Å; A26-H29 PolarHBondContact O-N 3.32Å; A26-S30 PolarHBondContact O-N 3.01Å; A26-L60 HydrophobicContact CB-CD1 4.09Å
27A76.6Confident66.2Low46 Ų4667.5 Ų67.538%0.3841%0.405SS..Hα-helixtrans-63.7-36.917400000112.1G23 K31G23-A27 PolarHBondContact O-N 3.32Å; A27-K31 WeakPolarHBondContact O-CG 3.23Å; A27-K31 PolarHBondContact O-N 2.99Å; A27-K31 VanDerWaalsContact O-N 3.16Å
28L82.4Confident68.8Low33 Ų3370.5 Ų70.517%0.17339%0.392CS..Hα-helixtrans-66.9-45.6175.6-172147.1000111.7P24 S25 A26 S30 K31 L32 L47 N50 H51P24-L28 WeakPolarHBondContact O-CB 3.49Å; P24-L28 PolarHBondContact O-N 2.88Å; S25-L28 PolarHBondContact O-N 3.12Å; A26-L28 VanDerWaalsContact C-N 3.31Å; A26-L28 PolarHBondContact O-N 3.38Å; L28-S30 VanDerWaalsContact C-N 3.34Å; L28-S30 PolarHBondContact O-N 2.85Å; L28-K31 PolarHBondContact O-N 3.25Å; L28-L32 WeakPolarHBondContact O-CB 3.41Å; L28-L32 PolarHBondContact O-N 2.85Å; L28-L47 HydrophobicContact CG-CD2 4.42Å; L28-N50 HydrophobicContact CD1-CB 4.16Å; L28-H51 HydrophobicContact CD2-CB 3.76Å
29H84.5Confident71.6Confident13 Ų1368 Ų686%0.0637%0.373CS..Hα-helixtrans-59.9-42.3177-68.6177000112.2S25 A26 L32 Y33 H51 I57 T58S25-H29 PolarHBondContact O-CD2 3.29Å; S25-H29 VanDerWaalsContact O-CG 3.31Å; S25-H29 PolarHBondContact O-N 3.11Å; A26-H29 PolarHBondContact O-N 3.32Å; H29-L32 PolarHBondContact O-N 3.39Å; H29-Y33 WeakPolarHBondContact O-CB 3.48Å; H29-Y33 PolarHBondContact O-N 3.46Å; H29-H51 AromaticContact NE2-CD2 3.73Å; H29-H51 AromaticContact NE2-NE2 3.6Å; H29-I57 HydrophobicContact CB-CB 4.14Å; H29-I57 HydrophobicContact CB-CG2 4.42Å; H29-T58 PolarHBondContact ND1-N 3.45Å
30S82.1Confident74.2Confident33 Ų3365.9 Ų65.923%0.23135%0.354CS..Hα-helixtrans-64.8-40.1177.1-1700000112.4A26 L28 E34 S63A26-S30 PolarHBondContact O-N 3.01Å; L28-S30 VanDerWaalsContact C-N 3.34Å; L28-S30 PolarHBondContact O-N 2.85Å; S30-E34 PolarHBondContact O-N 3.18Å; S30-E34 VanDerWaalsContact O-N 3.11Å; S30-S63 WeakPolarHBondContact OG-CB 3.15Å
31K85Confident76.9Confident136 Ų13659.3 Ų59.359%0.59132%0.322SS*.Hα-helixtrans-66.8-41.9176.5-74.2176.3-178.6-179.90111.9A27 L28 E34 A35 L47A27-K31 WeakPolarHBondContact O-CG 3.23Å; A27-K31 PolarHBondContact O-N 2.99Å; A27-K31 VanDerWaalsContact O-N 3.16Å; L28-K31 PolarHBondContact O-N 3.25Å; K31-E34 PolarHBondContact O-N 3.47Å; K31-A35 WeakPolarHBondContact O-CB 3.26Å; K31-A35 PolarHBondContact O-N 2.77Å; K31-L47 HydrophobicContact CB-CD1 3.99Å
32L85.4Confident79.5Confident0 Ų054.9 Ų54.90%031%0.307CS..Hα-helixtrans-65.9-41.1178.3-176.955.8000111.4L28 H29 A35 I36 I44 L47 L48 I57 P79L28-L32 WeakPolarHBondContact O-CB 3.41Å; L28-L32 PolarHBondContact O-N 2.85Å; H29-L32 PolarHBondContact O-N 3.39Å; L32-A35 PolarHBondContact O-N 2.87Å; L32-I36 HydrophobicContact CD1-CD1 4.14Å; L32-I36 HydrophobicContact CD1-CG1 4.37Å; L32-I36 HydrophobicContact CG-CD1 4.05Å; L32-I36 WeakPolarHBondContact O-CD1 3.44Å; L32-I36 VanDerWaalsContact O-CG1 3.27Å; L32-I36 WeakPolarHBondContact O-CG1 3.49Å; L32-I36 PolarHBondContact O-N 2.82Å; L32-I44 HydrophobicContact CD1-CG2 4.45Å; L32-L47 HydrophobicContact CB-CD1 4.13Å; L32-L47 HydrophobicContact CD1-CB 4.17Å; L32-L47 HydrophobicContact CD1-CD1 4.33Å; L32-L48 HydrophobicContact CD1-CD2 4.45Å; L32-L48 HydrophobicContact CD2-CD2 4.33Å; L32-I57 HydrophobicContact CD2-CG2 3.92Å; L32-P79 HydrophobicContact CD2-CG 4.28Å
33Y86.9Confident81.7Confident4 Ų451 Ų512%0.01629%0.288CS..Hα-helixtrans-56.2-50.5172173.8-94.1000111.9H29 A35 I36 M37 I59 L82H29-Y33 WeakPolarHBondContact O-CB 3.48Å; H29-Y33 PolarHBondContact O-N 3.46Å; Y33-A35 PolarHBondContact O-N 2.87Å; Y33-I36 PolarHBondContact O-N 2.87Å; Y33-M37 HydrophobicContact CD1-CG 4.36Å; Y33-M37 HydrophobicContact CE1-CG 3.98Å; Y33-M37 HydrophobicContact CE2-CG 4.13Å; Y33-M37 VanDerWaalsContact O-CG 3.31Å; Y33-M37 WeakPolarHBondContact O-CG 3.3Å; Y33-M37 PolarHBondContact O-N 3.05Å; Y33-I59 HydrophobicContact CD2-CD1 3.42Å; Y33-I59 VanDerWaalsContact CD2-CD1 3.42Å; Y33-I59 HydrophobicContact CD2-CG1 3.85Å; Y33-I59 HydrophobicContact CE2-CD1 3.55Å; Y33-I59 HydrophobicContact CE2-CG1 4.34Å; Y33-I59 HydrophobicContact CG-CD1 4.42Å; Y33-I59 HydrophobicContact CG-CG1 4.43Å; Y33-L82 HydrophobicContact CD2-CD1 4.08Å; Y33-L82 HydrophobicContact CD2-CD2 3.47Å; Y33-L82 VanDerWaalsContact CD2-CD2 3.47Å; Y33-L82 HydrophobicContact CD2-CG 4.44Å; Y33-L82 HydrophobicContact CE2-CD1 3.78Å; Y33-L82 HydrophobicContact CE2-CD2 3.98Å; Y33-L82 HydrophobicContact CG-CD2 4.37Å
34E86.3Confident83.6Confident50 Ų5049.6 Ų49.623%0.23427%0.274CS..Hα-helixtrans-64.8-39.9-178.3-171.1169.515700112.2S30 K31 M37 R38 S65S30-E34 PolarHBondContact O-N 3.18Å; S30-E34 VanDerWaalsContact O-N 3.11Å; K31-E34 PolarHBondContact O-N 3.47Å; E34-M37 PolarHBondContact O-N 3.1Å; E34-R38 WeakPolarHBondContact O-CB 3Å; E34-R38 WeakPolarHBondContact O-CG 3.34Å; E34-R38 PolarHBondContact O-N 2.83Å; E34-R38 IonicContact OE1-CZ 3.38Å; E34-R38 IonicContact OE1-NE 2.78Å; E34-R38 IonicContact OE1-NH1 3.75Å; E34-R38 PolarHBondContact OE1-NH1 2.93Å; E34-R38 IonicContact OE1-NH2 3.97Å; E34-R38 PolarHBondContact OE1-NH2 3.2Å; E34-S65 PolarHBondContact OE2-OG 2.73Å
35A88.2Confident84.8Confident6 Ų647.7 Ų47.75%0.0525%0.254CS..Hα-helixtrans-61-45.617500000111.9K31 L32 Y33 M37 R38 E39 D40 T43 I44 L47K31-A35 WeakPolarHBondContact O-CB 3.26Å; K31-A35 PolarHBondContact O-N 2.77Å; L32-A35 PolarHBondContact O-N 2.87Å; Y33-A35 PolarHBondContact O-N 2.87Å; A35-M37 VanDerWaalsContact C-N 3.35Å; A35-M37 PolarHBondContact O-N 3.32Å; A35-R38 PolarHBondContact O-N 3.21Å; A35-E39 PolarHBondContact O-N 3.37Å; A35-D40 PolarHBondContact O-N 2.91Å; A35-D40 VanDerWaalsContact O-N 3.1Å; A35-T43 VanDerWaalsContact CB-OG1 3.3Å; A35-T43 WeakPolarHBondContact CB-OG1 3.37Å; A35-I44 HydrophobicContact CB-CG1 3.78Å; A35-L47 HydrophobicContact CB-CD1 4.47Å
36I88.4Confident85.9Confident0 Ų048.2 Ų48.20%026%0.255CS..Hα-helixtrans-61.7-42.9176-69165.2000111.1L32 Y33 R38 E39 I44 P79 L82 A83 S91 L95L32-I36 HydrophobicContact CD1-CD1 4.14Å; L32-I36 HydrophobicContact CD1-CG1 4.37Å; L32-I36 HydrophobicContact CG-CD1 4.05Å; L32-I36 WeakPolarHBondContact O-CD1 3.44Å; L32-I36 VanDerWaalsContact O-CG1 3.27Å; L32-I36 WeakPolarHBondContact O-CG1 3.49Å; L32-I36 PolarHBondContact O-N 2.82Å; Y33-I36 PolarHBondContact O-N 2.87Å; I36-R38 VanDerWaalsContact C-N 3.33Å; I36-R38 PolarHBondContact O-N 3.39Å; I36-E39 PolarHBondContact O-N 3.21Å; I36-I44 HydrophobicContact CG1-CD1 4.05Å; I36-I44 HydrophobicContact CG1-CG1 4.23Å; I36-P79 HydrophobicContact CD1-CB 3.84Å; I36-L82 HydrophobicContact CB-CD2 4.12Å; I36-L82 HydrophobicContact CD1-CD2 4.04Å; I36-L82 HydrophobicContact CG2-CD2 3.83Å; I36-L82 HydrophobicContact CG2-CG 4.11Å; I36-A83 HydrophobicContact CG2-CB 4.03Å; I36-S91 PolarHBondContact O-OG 3.3Å; I36-L95 HydrophobicContact CD1-CD1 4.38Å
37M87Confident86.7Confident33 Ų3348.2 Ų48.216%0.16325%0.25CS..Hα-helixtrans-69.6-30.7-179.3-69.8-59.7-77.900113.1Y33 E34 A35 Y86 K88Y33-M37 HydrophobicContact CD1-CG 4.36Å; Y33-M37 HydrophobicContact CE1-CG 3.98Å; Y33-M37 HydrophobicContact CE2-CG 4.13Å; Y33-M37 VanDerWaalsContact O-CG 3.31Å; Y33-M37 WeakPolarHBondContact O-CG 3.3Å; Y33-M37 PolarHBondContact O-N 3.05Å; E34-M37 PolarHBondContact O-N 3.1Å; A35-M37 VanDerWaalsContact C-N 3.35Å; A35-M37 PolarHBondContact O-N 3.32Å; M37-Y86 HydrophobicContact CE-CD1 3.95Å; M37-Y86 HydrophobicContact CE-CD2 4.2Å; M37-Y86 HydrophobicContact CE-CE1 4.29Å; M37-Y86 HydrophobicContact CE-CG 3.9Å; M37-Y86 HydrophobicContact SD-CD2 3.8Å; M37-Y86 HydrophobicContact SD-CE2 4.4Å; M37-Y86 HydrophobicContact SD-CG 3.89Å; M37-K88 WeakPolarHBondContact O-CE 2.93Å; M37-K88 PolarHBondContact O-NZ 2.89Å
38R88.7Confident87.2Confident175 Ų17546.8 Ų46.866%0.6624%0.237SC*.Hα-helixtrans-85.8-6.4176.1-74.5-172.1175144.812.5114.8E34 A35 I36 D40E34-R38 WeakPolarHBondContact O-CB 3Å; E34-R38 WeakPolarHBondContact O-CG 3.34Å; E34-R38 PolarHBondContact O-N 2.83Å; E34-R38 IonicContact OE1-CZ 3.38Å; E34-R38 IonicContact OE1-NE 2.78Å; E34-R38 IonicContact OE1-NH1 3.75Å; E34-R38 PolarHBondContact OE1-NH1 2.93Å; E34-R38 IonicContact OE1-NH2 3.97Å; E34-R38 PolarHBondContact OE1-NH2 3.2Å; A35-R38 PolarHBondContact O-N 3.21Å; I36-R38 VanDerWaalsContact C-N 3.33Å; I36-R38 PolarHBondContact O-N 3.39Å; R38-D40 PolarHBondContact O-N 2.93Å
39E86.8Confident87.3Confident61 Ų6155 Ų5529%0.28527%0.265SS..THydrogen-bonded Turntrans61.726.8-174.5-63.6-166.6126.700114.2A35 I36 C41 K88 A89 Q90 S91A35-E39 PolarHBondContact O-N 3.37Å; I36-E39 PolarHBondContact O-N 3.21Å; E39-C41 PolarHBondContact O-N 3.25Å; E39-C41 VanDerWaalsContact O-N 3.13Å; E39-K88 HydrophobicContact CG-CB 4.14Å; E39-K88 HydrophobicContact CG-CD 3.89Å; E39-K88 WeakPolarHBondContact OE1-CA 3.25Å; E39-A89 PolarHBondContact OE1-N 3.26Å; E39-Q90 HydrophobicContact CB-CB 4.03Å; E39-Q90 HydrophobicContact CG-CB 4.29Å; E39-Q90 PolarHBondContact OE1-N 2.97Å; E39-Q90 VanDerWaalsContact OE1-N 3.08Å; E39-S91 WeakPolarHBondContact CA-OG 3.37Å
40D91.3Very high87.1Confident55 Ų5560.4 Ų60.429%0.29430%0.295SS..  trans-84.788.8179.1-1783.3000111.1A35 R38 T42 T43 I44A35-D40 PolarHBondContact O-N 2.91Å; A35-D40 VanDerWaalsContact O-N 3.1Å; R38-D40 PolarHBondContact O-N 2.93Å; D40-T42 PolarHBondContact O-N 2.9Å; D40-T42 PolarHBondContact OD1-N 3.26Å; D40-T42 PolarHBondContact OD1-OG1 3.47Å; D40-T43 WeakPolarHBondContact CB-OG1 3.14Å; D40-T43 PolarHBondContact O-N 2.97Å; D40-T43 PolarHBondContact O-OG1 2.62Å; D40-T43 VanDerWaalsContact O-OG1 3.12Å; D40-T43 PolarHBondContact OD1-N 3.48Å; D40-T43 WeakPolarHBondContact OD2-CB 3.49Å; D40-T43 WeakPolarHBondContact OD2-CG2 3.28Å; D40-T43 PolarHBondContact OD2-OG1 2.87Å; D40-I44 VanDerWaalsContact O-CG1 3.26Å; D40-I44 WeakPolarHBondContact O-CG1 3.26Å; D40-I44 PolarHBondContact O-N 2.97Å; D40-I44 VanDerWaalsContact O-N 3.1Å
41C90.1Very high87.2Confident32 Ų3259.5 Ų59.522%0.21629%0.287CS..Hα-helixtrans-60.6-33.5-178.9-61.30000112.1E39 T43 I44 E45 C94E39-C41 PolarHBondContact O-N 3.25Å; E39-C41 VanDerWaalsContact O-N 3.13Å; C41-T43 PolarHBondContact O-N 3.34Å; C41-I44 PolarHBondContact O-N 3.37Å; C41-E45 WeakPolarHBondContact O-CB 3.17Å; C41-E45 WeakPolarHBondContact O-CG 3.41Å; C41-E45 PolarHBondContact O-N 2.94Å; C41-C94 HydrophobicContact CB-CB 4.2Å
42T90.4Very high87.2Confident92 Ų9256.6 Ų56.656%0.56428%0.282SS*.Hα-helixtrans-66.1-41.1-177.267.60000111.9D40 V46D40-T42 PolarHBondContact O-N 2.9Å; D40-T42 PolarHBondContact OD1-N 3.26Å; D40-T42 PolarHBondContact OD1-OG1 3.47Å; T42-V46 WeakPolarHBondContact O-CG2 3.41Å; T42-V46 PolarHBondContact O-N 3.21Å
43T89.3Confident87.2Confident51 Ų5157.5 Ų57.531%0.31329%0.287SS..Hα-helixtrans-75.9-34.8176.552.10000111.8A35 D40 C41 V46 L47A35-T43 VanDerWaalsContact CB-OG1 3.3Å; A35-T43 WeakPolarHBondContact CB-OG1 3.37Å; D40-T43 WeakPolarHBondContact CB-OG1 3.14Å; D40-T43 PolarHBondContact O-N 2.97Å; D40-T43 PolarHBondContact O-OG1 2.62Å; D40-T43 VanDerWaalsContact O-OG1 3.12Å; D40-T43 PolarHBondContact OD1-N 3.48Å; D40-T43 WeakPolarHBondContact OD2-CB 3.49Å; D40-T43 WeakPolarHBondContact OD2-CG2 3.28Å; D40-T43 PolarHBondContact OD2-OG1 2.87Å; C41-T43 PolarHBondContact O-N 3.34Å; T43-V46 PolarHBondContact O-N 3.49Å; T43-L47 WeakPolarHBondContact O-CB 2.84Å; T43-L47 WeakPolarHBondContact O-CG 3.23Å; T43-L47 PolarHBondContact O-N 3.31Å
44I88Confident87.2Confident0 Ų060 Ų600%030%0.301CS..Hα-helixtrans-56.9-50.8171.2-66.1167.2000109.9L32 A35 I36 D40 C41 V46 L47 L48 L95L32-I44 HydrophobicContact CD1-CG2 4.45Å; A35-I44 HydrophobicContact CB-CG1 3.78Å; I36-I44 HydrophobicContact CG1-CD1 4.05Å; I36-I44 HydrophobicContact CG1-CG1 4.23Å; D40-I44 VanDerWaalsContact O-CG1 3.26Å; D40-I44 WeakPolarHBondContact O-CG1 3.26Å; D40-I44 PolarHBondContact O-N 2.97Å; D40-I44 VanDerWaalsContact O-N 3.1Å; C41-I44 PolarHBondContact O-N 3.37Å; I44-V46 VanDerWaalsContact C-N 3.34Å; I44-V46 PolarHBondContact O-N 2.91Å; I44-L47 PolarHBondContact O-N 3.41Å; I44-L47 VanDerWaalsContact O-N 3.15Å; I44-L48 HydrophobicContact CG2-CD1 3.65Å; I44-L48 HydrophobicContact CG2-CG 4Å; I44-L48 VanDerWaalsContact O-CG 3.27Å; I44-L48 WeakPolarHBondContact O-CG 3.28Å; I44-L48 PolarHBondContact O-N 2.81Å; I44-L95 HydrophobicContact CG2-CD2 4.22Å
45E87.6Confident87.2Confident81 Ų8162.5 Ų62.538%0.37931%0.312SS..Hα-helixtrans-56.1-44.7179.9-75.8178.5-164.400112.9C41 H98C41-E45 WeakPolarHBondContact O-CB 3.17Å; C41-E45 WeakPolarHBondContact O-CG 3.41Å; C41-E45 PolarHBondContact O-N 2.94Å; E45-H98 WeakPolarHBondContact CG-NE2 3.33Å
46V89.1Confident87Confident85 Ų8564.7 Ų64.752%0.51533%0.327SS..Hα-helixtrans-65.8-41.8178.4172.20000111.1T42 T43 I44 R49T42-V46 WeakPolarHBondContact O-CG2 3.41Å; T42-V46 PolarHBondContact O-N 3.21Å; T43-V46 PolarHBondContact O-N 3.49Å; I44-V46 VanDerWaalsContact C-N 3.34Å; I44-V46 PolarHBondContact O-N 2.91Å; V46-R49 PolarHBondContact O-N 3.25Å
47L87.1Confident86.9Confident26 Ų2664.7 Ų64.714%0.13633%0.327CS..Hα-helixtrans-72.7-34.7-177.5-67.9171.8000112.6L28 K31 L32 A35 T43 I44 R49 N50 H51L28-L47 HydrophobicContact CG-CD2 4.42Å; K31-L47 HydrophobicContact CB-CD1 3.99Å; L32-L47 HydrophobicContact CB-CD1 4.13Å; L32-L47 HydrophobicContact CD1-CB 4.17Å; L32-L47 HydrophobicContact CD1-CD1 4.33Å; A35-L47 HydrophobicContact CB-CD1 4.47Å; T43-L47 WeakPolarHBondContact O-CB 2.84Å; T43-L47 WeakPolarHBondContact O-CG 3.23Å; T43-L47 PolarHBondContact O-N 3.31Å; I44-L47 PolarHBondContact O-N 3.41Å; I44-L47 VanDerWaalsContact O-N 3.15Å; L47-R49 PolarHBondContact O-N 3.05Å; L47-N50 PolarHBondContact O-N 3.5Å; L47-N50 VanDerWaalsContact O-N 3.1Å; L47-H51 PolarHBondContact O-N 2.88Å
48L86.7Confident86.7Confident17 Ų1766.1 Ų66.19%0.08934%0.337CS..Hα-helixtrans-68.2-17.8177.1-68.8179.5000113.6L32 I44 N50 V53 L95 H98L32-L48 HydrophobicContact CD1-CD2 4.45Å; L32-L48 HydrophobicContact CD2-CD2 4.33Å; I44-L48 HydrophobicContact CG2-CD1 3.65Å; I44-L48 HydrophobicContact CG2-CG 4Å; I44-L48 VanDerWaalsContact O-CG 3.27Å; I44-L48 WeakPolarHBondContact O-CG 3.28Å; I44-L48 PolarHBondContact O-N 2.81Å; L48-N50 PolarHBondContact O-N 3.35Å; L48-V53 HydrophobicContact CD1-CG1 4.27Å; L48-V53 HydrophobicContact CD1-CG2 4.18Å; L48-V53 HydrophobicContact CD2-CB 4.34Å; L48-V53 HydrophobicContact CD2-CG1 4.17Å; L48-V53 HydrophobicContact CD2-CG2 4.05Å; L48-V53 HydrophobicContact CG-CG2 4.46Å; L48-L95 HydrophobicContact CD1-CD2 3.93Å; L48-L95 HydrophobicContact CD2-CD2 4.23Å; L48-H98 HydrophobicContact CD1-CB 3.79Å
49R83.9Confident85.9Confident204 Ų20458.2 Ų58.277%0.7731%0.308SS*.THydrogen-bonded Turntrans-63.9-27.3170.5-67-179.3-175.5-175.21.1112.6V46 L47V46-R49 PolarHBondContact O-N 3.25Å; L47-R49 PolarHBondContact O-N 3.05Å
50N82Confident84.8Confident128 Ų12858.9 Ų58.968%0.68431%0.313SS*.SBendtrans-109.3-0.5-175.1-61.8-30.1000112.8L28 L47 L48L28-N50 HydrophobicContact CD1-CB 4.16Å; L47-N50 PolarHBondContact O-N 3.5Å; L47-N50 VanDerWaalsContact O-N 3.1Å; L48-N50 PolarHBondContact O-N 3.35Å
51H82.8Confident83.1Confident13 Ų1358.5 Ų58.56%0.0631%0.314CS..SBendtrans-145.1127.8-177.9179.2-80.9000111.4L28 H29 L47 V53 Q55L28-H51 HydrophobicContact CD2-CB 3.76Å; H29-H51 AromaticContact NE2-CD2 3.73Å; H29-H51 AromaticContact NE2-NE2 3.6Å; L47-H51 PolarHBondContact O-N 2.88Å; H51-V53 PolarHBondContact O-N 3.5Å; H51-Q55 PolarHBondContact CE1-O 3.08Å
52P86.1Confident81.1Confident75 Ų7564.4 Ų64.449%0.48734%0.343SS..  trans-65.6132.3-179.426.5-32.7000111.8N54 Q55P52-N54 VanDerWaalsContact C-N 3.27Å; P52-N54 PolarHBondContact O-N 2.96Å; P52-N54 VanDerWaalsContact O-N 3.17Å; P52-Q55 HydrophobicContact CB-CB 4.43Å; P52-Q55 HydrophobicContact CG-CB 3.68Å; P52-Q55 HydrophobicContact CG-CG 4.44Å; P52-Q55 PolarHBondContact O-N 2.9Å; P52-Q55 VanDerWaalsContact O-N 3.11Å
53V84.9Confident79.2Confident19 Ų1961.2 Ų61.212%0.11533%0.325CS..THydrogen-bonded Turntrans-61.9-31.3-166.7-165.90000113.9L48 H51 L95 H98 A100L48-V53 HydrophobicContact CD1-CG1 4.27Å; L48-V53 HydrophobicContact CD1-CG2 4.18Å; L48-V53 HydrophobicContact CD2-CB 4.34Å; L48-V53 HydrophobicContact CD2-CG1 4.17Å; L48-V53 HydrophobicContact CD2-CG2 4.05Å; L48-V53 HydrophobicContact CG-CG2 4.46Å; H51-V53 PolarHBondContact O-N 3.5Å; V53-L95 HydrophobicContact CG1-CD2 3.84Å; V53-H98 HydrophobicContact CG2-CB 4.43Å; V53-H98 WeakPolarHBondContact CG2-O 3.42Å; V53-A100 HydrophobicContact CG1-CB 3.61Å
54N86Confident77.2Confident57 Ų5764.2 Ų64.231%0.30534%0.343SS..THydrogen-bonded Turntrans-94.2-1.4-177.5-64.2-32.8000113.8P52 A100 D101 V104P52-N54 VanDerWaalsContact C-N 3.27Å; P52-N54 PolarHBondContact O-N 2.96Å; P52-N54 VanDerWaalsContact O-N 3.17Å; N54-A100 WeakPolarHBondContact OD1-CA 3.11Å; N54-D101 PolarHBondContact OD1-N 3.14Å; N54-V104 HydrophobicContact CB-CG2 4.49Å
55Q86.3Confident75.3Confident102 Ų10265.7 Ų65.748%0.47735%0.353SS..SBendtrans-79.4138.7176.8-172.31734.200110H51 P52 P79H51-Q55 PolarHBondContact CE1-O 3.08Å; P52-Q55 HydrophobicContact CB-CB 4.43Å; P52-Q55 HydrophobicContact CG-CB 3.68Å; P52-Q55 HydrophobicContact CG-CG 4.44Å; P52-Q55 PolarHBondContact O-N 2.9Å; P52-Q55 VanDerWaalsContact O-N 3.11Å; Q55-P79 WeakPolarHBondContact O-CD 3.34Å
56P84.8Confident73.3Confident53 Ų5362.5 Ų62.534%0.34434%0.34SS..PPolyproline II helixtrans-69.4141179.228.5-35.9000111.7S76 I77 I78P56-S76 WeakPolarHBondContact CB-OG 3.19Å; P56-I77 WeakPolarHBondContact CA-O 3.5Å; P56-I78 HydrophobicContact CB-CG1 4.13Å
57I85.8Confident71.1Confident0 Ų068.9 Ų68.90%035%0.354CS..EExtended strand (participates in β ladder)trans-92.1136.4170.656168.6000109.9H29 L32 S76 I77 P79 L82H29-I57 HydrophobicContact CB-CB 4.14Å; H29-I57 HydrophobicContact CB-CG2 4.42Å; L32-I57 HydrophobicContact CD2-CG2 3.92Å; I57-S76 WeakPolarHBondContact O-CA 3.48Å; I57-I77 HydrophobicContact CG1-CG2 4.03Å; I57-I77 WeakPolarHBondContact CG1-O 3.35Å; I57-I77 PolarHBondContact N-O 3.35Å; I57-I77 PolarHBondContact O-N 2.59Å; I57-P79 HydrophobicContact CG2-CG 4.21Å; I57-L82 HydrophobicContact CD1-CD2 4.05Å
58T82.7Confident69.1Low62 Ų6273.9 Ų73.938%0.3838%0.381SS..EExtended strand (participates in β ladder)trans-90.5117.7174.9-470000109.5H29H29-T58 PolarHBondContact ND1-N 3.45Å
59I72.8Confident67.1Low9 Ų974.3 Ų74.35%0.04638%0.383CS..EExtended strand (participates in β ladder)trans-96.1115.7177.6-54.3161.7000108.8Y33 L69 E75 I77Y33-I59 HydrophobicContact CD2-CD1 3.42Å; Y33-I59 VanDerWaalsContact CD2-CD1 3.42Å; Y33-I59 HydrophobicContact CD2-CG1 3.85Å; Y33-I59 HydrophobicContact CE2-CD1 3.55Å; Y33-I59 HydrophobicContact CE2-CG1 4.34Å; Y33-I59 HydrophobicContact CG-CD1 4.42Å; Y33-I59 HydrophobicContact CG-CG1 4.43Å; I59-L69 HydrophobicContact CG2-CD1 3.6Å; I59-E75 PolarHBondContact N-O 3.35Å; I59-I77 HydrophobicContact CD1-CG2 3.7Å
60L63.9Low65.1Low75 Ų7573.6 Ų73.639%0.39339%0.393SS..  trans-84.7138.9176.1-74.7160.7000110.6A26 N62 S63 T74A26-L60 HydrophobicContact CB-CD1 4.09Å; L60-N62 PolarHBondContact O-N 2.84Å; L60-N62 VanDerWaalsContact O-N 3.11Å; L60-S63 PolarHBondContact O-OG 3.11Å; L60-T74 HydrophobicContact CD2-CG2 4.01Å
61P54.7Low63.2Low48 Ų4869.2 Ų69.231%0.31237%0.373SS..THydrogen-bonded Turntrans-67.6-11.8-173.824.4-33000114.8S66P61-S66 WeakPolarHBondContact O-CB 3.32Å; P61-S66 PolarHBondContact O-OG 3.22Å
62N48.9Very low61.6Low155 Ų15577.7 Ų77.783%0.82941%0.413SS*.THydrogen-bonded Turntrans-1053.1-174.2-76.7-6.3000115.3L60L60-N62 PolarHBondContact O-N 2.84Å; L60-N62 VanDerWaalsContact O-N 3.11Å
63S49.3Very low60Low26 Ų2681.1 Ų81.118%0.18242%0.422CS..SBendtrans-67.9137.8170.760.50000108.9S30 L60 S65 S66S30-S63 WeakPolarHBondContact OG-CB 3.15Å; L60-S63 PolarHBondContact O-OG 3.11Å; S63-S65 PolarHBondContact O-N 2.8Å; S63-S66 VanDerWaalsContact O-CB 3.3Å; S63-S66 WeakPolarHBondContact O-CB 3.47Å; S63-S66 PolarHBondContact O-N 3.27Å; S63-S66 PolarHBondContact O-OG 3.26Å
64T48.2Very low58.8Low114 Ų11484.5 Ų84.570%0.69944%0.443SS*.THydrogen-bonded Turntrans-54-18-177.944.50000114.2
65S47.9Very low58Low31 Ų3184.2 Ų84.222%0.21744%0.44CS..THydrogen-bonded Turntrans-88-6.7177.4-53.50000114.6E34 S63E34-S65 PolarHBondContact OE2-OG 2.73Å; S63-S65 PolarHBondContact O-N 2.8Å
66S46.5Very low57.9Low13 Ų1382.5 Ų82.59%0.09144%0.439CS..G310 helixtrans-83.7-2.7179.671.70000114.3P61 S63 L68 L69P61-S66 WeakPolarHBondContact O-CB 3.32Å; P61-S66 PolarHBondContact O-OG 3.22Å; S63-S66 VanDerWaalsContact O-CB 3.3Å; S63-S66 WeakPolarHBondContact O-CB 3.47Å; S63-S66 PolarHBondContact O-N 3.27Å; S63-S66 PolarHBondContact O-OG 3.26Å; S66-L68 PolarHBondContact O-N 3.34Å; S66-L69 WeakPolarHBondContact O-CB 3.32Å; S66-L69 PolarHBondContact O-N 3.04Å
67R42.7Very low58Low219 Ų21981.1 Ų81.183%0.82643%0.428SS*.G310 helixtrans-59.1-11.5-178.5-94.9-172.8-95.8-140.9-4.3115.1
68L45.1Very low58.2Low131 Ų13181.8 Ų81.869%0.68643%0.432SS*.G310 helixtrans-91.1-9.9174.1-70.1165.5000113.7S66 L70S66-L68 PolarHBondContact O-N 3.34Å; L68-L70 PolarHBondContact O-N 3.19Å
69L44.4Very low58.5Low27 Ų2778.8 Ų78.814%0.14141%0.414CS..  trans-84.1108.9173.4-73.1156.4000108.4I59 S66 S71I59-L69 HydrophobicContact CG2-CD1 3.6Å; S66-L69 WeakPolarHBondContact O-CB 3.32Å; S66-L69 PolarHBondContact O-N 3.04Å; L69-S71 PolarHBondContact O-N 3.2Å
70L40.9Very low59.4Low188 Ų18878.4 Ų78.498%0.98441%0.411SS*.  trans-70.8-4.6172.6-77.2151.8000112.5L68L68-L70 PolarHBondContact O-N 3.19Å
71S43.2Very low60.7Low37 Ų3774.9 Ų74.926%0.25939%0.393SS..  trans-108.2126.4-177.549.40000111.1L69 Q73 E75L69-S71 PolarHBondContact O-N 3.2Å; S71-Q73 PolarHBondContact O-N 3.46Å; S71-E75 PolarHBondContact OG-OE1 2.86Å
72Q48.3Very low62.3Low191 Ų19172.7 Ų72.789%0.89338%0.379SS*.  trans-76.125.4173.5-68.7-177.7-19.500113.1
73Q53.4Low64.3Low146 Ų14665.3 Ų65.368%0.68234%0.339SS*.SBendtrans-114.2145.6-172.9-70.3-179.2-9.800111.3S71 E75S71-Q73 PolarHBondContact O-N 3.46Å; Q73-E75 PolarHBondContact O-N 3.19Å; Q73-E75 VanDerWaalsContact O-N 3.12Å
74T59.3Low66.3Low90 Ų9064 Ų6455%0.55233%0.33SS*.  trans-68.7103.9171.644.70000109.5L60L60-T74 HydrophobicContact CD2-CG2 4.01Å
75E69.8Low68.2Low52 Ų5261 Ų6124%0.24331%0.307CS..EExtended strand (participates in β ladder)trans-85.4124.2174.3-72.7-173.6-16300109.5I59 S71 Q73 K85I59-E75 PolarHBondContact N-O 3.35Å; S71-E75 PolarHBondContact OG-OE1 2.86Å; Q73-E75 PolarHBondContact O-N 3.19Å; Q73-E75 VanDerWaalsContact O-N 3.12Å; E75-K85 IonicContact OE2-NZ 2.98Å; E75-K85 PolarHBondContact OE2-NZ 3.47Å; E75-K85 VanDerWaalsContact OE2-NZ 3.14Å
76S83.1Confident70Confident66 Ų6662.8 Ų62.846%0.46231%0.31SS..EExtended strand (participates in β ladder)trans-98.8113.3169.7-178.50000107.7P56 I57P56-S76 WeakPolarHBondContact CB-OG 3.19Å; I57-S76 WeakPolarHBondContact O-CA 3.48Å
77I86.3Confident72.1Confident23 Ų2363 Ų6312%0.11831%0.31CS..EExtended strand (participates in β ladder)trans-137.3138.9-173.1-168165.8000111.1P56 I57 I59 H81 L82 K85P56-I77 WeakPolarHBondContact CA-O 3.5Å; I57-I77 HydrophobicContact CG1-CG2 4.03Å; I57-I77 WeakPolarHBondContact CG1-O 3.35Å; I57-I77 PolarHBondContact N-O 3.35Å; I57-I77 PolarHBondContact O-N 2.59Å; I59-I77 HydrophobicContact CD1-CG2 3.7Å; I77-H81 HydrophobicContact CD1-CB 4.41Å; I77-H81 HydrophobicContact CG1-CB 3.99Å; I77-L82 HydrophobicContact CD1-CB 4.07Å; I77-L82 HydrophobicContact CD1-CD1 4.14Å; I77-L82 HydrophobicContact CG1-CB 4.26Å; I77-L82 HydrophobicContact CG2-CB 4.19Å; I77-L82 HydrophobicContact CG2-CD1 4.2Å; I77-K85 HydrophobicContact CD1-CD 4.04Å
78I90Very high74.4Confident14 Ų1455.1 Ų55.17%0.07228%0.281CS..  trans-73.9136.7177-59.9165.8000108.8P56 I80 H81 L82 V104P56-I78 HydrophobicContact CB-CG1 4.13Å; I78-I80 HydrophobicContact CG2-CG2 3.91Å; I78-I80 PolarHBondContact O-N 3.32Å; I78-I80 VanDerWaalsContact O-N 3.12Å; I78-H81 HydrophobicContact CB-CB 4.37Å; I78-H81 WeakPolarHBondContact O-CA 3.42Å; I78-H81 WeakPolarHBondContact O-CB 3.13Å; I78-H81 PolarHBondContact O-N 3.39Å; I78-L82 PolarHBondContact O-N 2.79Å; I78-V104 HydrophobicContact CD1-CB 4.47Å; I78-V104 HydrophobicContact CD1-CG1 4.03Å; I78-V104 HydrophobicContact CD1-CG2 3.64Å; I78-V104 HydrophobicContact CG2-CG1 4.04Å
79P90.1Very high76.7Confident0 Ų049 Ų490%025%0.25CC..Hα-helixtrans-47.8-42.1-178.4-34.538000114.8L32 I36 Q55 I57 L82 A83 L95L32-P79 HydrophobicContact CD2-CG 4.28Å; I36-P79 HydrophobicContact CD1-CB 3.84Å; Q55-P79 WeakPolarHBondContact O-CD 3.34Å; I57-P79 HydrophobicContact CG2-CG 4.21Å; P79-L82 WeakPolarHBondContact O-CB 3.21Å; P79-L82 PolarHBondContact O-N 2.9Å; P79-A83 PolarHBondContact O-N 3.08Å; P79-L95 HydrophobicContact CB-CD1 4.06Å; P79-L95 HydrophobicContact CB-CD2 3.75Å; P79-L95 WeakPolarHBondContact O-CD1 3.45Å
80I91.3Very high79Confident0 Ų052.5 Ų52.50%027%0.265CS..Hα-helixtrans-67.3-38.4178.5-158.7-173.3000112.3I78 A83 A84 L92 L96 A100 V104 T112 L152I78-I80 HydrophobicContact CG2-CG2 3.91Å; I78-I80 PolarHBondContact O-N 3.32Å; I78-I80 VanDerWaalsContact O-N 3.12Å; I80-A83 PolarHBondContact O-N 3.46Å; I80-A84 VanDerWaalsContact O-CB 3.31Å; I80-A84 WeakPolarHBondContact O-CB 3.37Å; I80-A84 PolarHBondContact O-N 3.39Å; I80-L92 HydrophobicContact CD1-CD1 4.32Å; I80-L92 HydrophobicContact CG1-CD1 3.55Å; I80-L96 HydrophobicContact CD1-CD2 3.67Å; I80-L96 HydrophobicContact CD1-CG 4.16Å; I80-A100 HydrophobicContact CB-CB 4.21Å; I80-A100 HydrophobicContact CD1-CB 3.89Å; I80-A100 HydrophobicContact CG1-CB 4.24Å; I80-V104 HydrophobicContact CG2-CG1 3.69Å; I80-T112 HydrophobicContact CD1-CG2 4.11Å; I80-T112 HydrophobicContact CG1-CG2 3.97Å; I80-T112 HydrophobicContact CG2-CG2 4.42Å; I80-L152 HydrophobicContact CD1-CD2 4.41Å
81H90.4Very high81.4Confident2 Ų243.6 Ų43.61%0.00922%0.218CC..Hα-helixtrans-67.2-36.7174.6-65.2161.5000111.8I77 I78 A84 K85 V104 D106 T112 L115I77-H81 HydrophobicContact CD1-CB 4.41Å; I77-H81 HydrophobicContact CG1-CB 3.99Å; I78-H81 HydrophobicContact CB-CB 4.37Å; I78-H81 WeakPolarHBondContact O-CA 3.42Å; I78-H81 WeakPolarHBondContact O-CB 3.13Å; I78-H81 PolarHBondContact O-N 3.39Å; H81-A84 PolarHBondContact O-N 3.34Å; H81-K85 VanDerWaalsContact O-CB 3.25Å; H81-K85 WeakPolarHBondContact O-CB 3.38Å; H81-K85 PolarHBondContact O-N 3.33Å; H81-V104 PolarHBondContact CE1-O 3.19Å; H81-V104 VanDerWaalsContact CE1-O 3.28Å; H81-V104 PolarHBondContact NE2-O 3.25Å; H81-D106 PolarHBondContact CE1-N 3.07Å; H81-T112 PolarHBondContact CD2-OG1 2.79Å; H81-T112 VanDerWaalsContact CD2-OG1 3.24Å; H81-T112 PolarHBondContact NE2-OG1 3.35Å; H81-L115 HydrophobicContact CB-CD1 3.61Å; H81-L115 VanDerWaalsContact CG-CD1 3.45Å
82L89.7Confident83.8Confident1 Ų141.8 Ų41.81%0.00521%0.206CC..Hα-helixtrans-62.9-50174.6-179.971.5000111Y33 I36 I57 I77 I78 P79 A84 K85 Y86Y33-L82 HydrophobicContact CD2-CD1 4.08Å; Y33-L82 HydrophobicContact CD2-CD2 3.47Å; Y33-L82 VanDerWaalsContact CD2-CD2 3.47Å; Y33-L82 HydrophobicContact CD2-CG 4.44Å; Y33-L82 HydrophobicContact CE2-CD1 3.78Å; Y33-L82 HydrophobicContact CE2-CD2 3.98Å; Y33-L82 HydrophobicContact CG-CD2 4.37Å; I36-L82 HydrophobicContact CB-CD2 4.12Å; I36-L82 HydrophobicContact CD1-CD2 4.04Å; I36-L82 HydrophobicContact CG2-CD2 3.83Å; I36-L82 HydrophobicContact CG2-CG 4.11Å; I57-L82 HydrophobicContact CD1-CD2 4.05Å; I77-L82 HydrophobicContact CD1-CB 4.07Å; I77-L82 HydrophobicContact CD1-CD1 4.14Å; I77-L82 HydrophobicContact CG1-CB 4.26Å; I77-L82 HydrophobicContact CG2-CB 4.19Å; I77-L82 HydrophobicContact CG2-CD1 4.2Å; I78-L82 PolarHBondContact O-N 2.79Å; P79-L82 WeakPolarHBondContact O-CB 3.21Å; P79-L82 PolarHBondContact O-N 2.9Å; L82-A84 VanDerWaalsContact C-N 3.26Å; L82-A84 PolarHBondContact O-N 3.4Å; L82-K85 PolarHBondContact O-N 3.4Å; L82-Y86 HydrophobicContact CD1-CD2 3.59Å; L82-Y86 HydrophobicContact CD1-CE2 3.45Å; L82-Y86 VanDerWaalsContact CD1-CE2 3.45Å; L82-Y86 HydrophobicContact CG-CD2 4.29Å; L82-Y86 WeakPolarHBondContact O-CD2 3.31Å; L82-Y86 PolarHBondContact O-N 2.74Å
83A90.9Very high86Confident0 Ų034.3 Ų34.30%017%0.172CC..Hα-helixtrans-59.9-39.5177.600000111.6I36 P79 I80 H87 K88 L92 L95I36-A83 HydrophobicContact CG2-CB 4.03Å; P79-A83 PolarHBondContact O-N 3.08Å; I80-A83 PolarHBondContact O-N 3.46Å; A83-H87 PolarHBondContact O-N 3.35Å; A83-H87 VanDerWaalsContact O-N 3.1Å; A83-K88 HydrophobicContact CB-CB 4.34Å; A83-K88 PolarHBondContact O-N 3.29Å; A83-L92 HydrophobicContact CB-CB 4.02Å; A83-L92 HydrophobicContact CB-CD1 4.13Å; A83-L95 HydrophobicContact CB-CD1 3.95Å
84A90.2Very high87.9Confident0 Ų027.7 Ų27.70%014%0.142CC..Hα-helixtrans-65.8-48175.100000113.5I80 H81 L82 Y86 H87 T112 I116I80-A84 VanDerWaalsContact O-CB 3.31Å; I80-A84 WeakPolarHBondContact O-CB 3.37Å; I80-A84 PolarHBondContact O-N 3.39Å; H81-A84 PolarHBondContact O-N 3.34Å; L82-A84 VanDerWaalsContact C-N 3.26Å; L82-A84 PolarHBondContact O-N 3.4Å; A84-Y86 PolarHBondContact O-N 2.9Å; A84-H87 PolarHBondContact O-N 2.98Å; A84-T112 HydrophobicContact CB-CG2 3.54Å; A84-I116 HydrophobicContact CB-CD1 4.04Å; A84-I116 HydrophobicContact CB-CG1 3.54Å
85K88.1Confident89.4Confident49 Ų4923.4 Ų23.421%0.21312%0.116CC..Hα-helixtrans-58.1-36.5-179.6179.7176.8179.3-176.40112.2E75 I77 H81 L82E75-K85 IonicContact OE2-NZ 2.98Å; E75-K85 PolarHBondContact OE2-NZ 3.47Å; E75-K85 VanDerWaalsContact OE2-NZ 3.14Å; I77-K85 HydrophobicContact CD1-CD 4.04Å; H81-K85 VanDerWaalsContact O-CB 3.25Å; H81-K85 WeakPolarHBondContact O-CB 3.38Å; H81-K85 PolarHBondContact O-N 3.33Å; L82-K85 PolarHBondContact O-N 3.4Å
86Y87.4Confident90.5Very high70 Ų7021.6 Ų21.628%0.27511%0.108SC..THydrogen-bonded Turntrans-10410.9-178.3-66.6-75.9000114.4M37 L82 A84 K88M37-Y86 HydrophobicContact CE-CD1 3.95Å; M37-Y86 HydrophobicContact CE-CD2 4.2Å; M37-Y86 HydrophobicContact CE-CE1 4.29Å; M37-Y86 HydrophobicContact CE-CG 3.9Å; M37-Y86 HydrophobicContact SD-CD2 3.8Å; M37-Y86 HydrophobicContact SD-CE2 4.4Å; M37-Y86 HydrophobicContact SD-CG 3.89Å; L82-Y86 HydrophobicContact CD1-CD2 3.59Å; L82-Y86 HydrophobicContact CD1-CE2 3.45Å; L82-Y86 VanDerWaalsContact CD1-CE2 3.45Å; L82-Y86 HydrophobicContact CG-CD2 4.29Å; L82-Y86 WeakPolarHBondContact O-CD2 3.31Å; L82-Y86 PolarHBondContact O-N 2.74Å; A84-Y86 PolarHBondContact O-N 2.9Å; Y86-K88 VanDerWaalsContact C-N 3.32Å; Y86-K88 PolarHBondContact O-N 3.1Å
87H90Very high90.9Very high18 Ų1827.4 Ų27.48%0.08312%0.119CC..THydrogen-bonded Turntrans54.542.9177-49.3-63.8000113.7A83 A84 A89 H119 N144 A145 C148A83-H87 PolarHBondContact O-N 3.35Å; A83-H87 VanDerWaalsContact O-N 3.1Å; A84-H87 PolarHBondContact O-N 2.98Å; H87-A89 PolarHBondContact O-N 3.38Å; H87-H119 PolarHBondContact CE1-O 2.8Å; H87-H119 VanDerWaalsContact CE1-O 3.28Å; H87-H119 PolarHBondContact NE2-O 3.16Å; H87-N144 HydrophobicContact CB-CB 4.33Å; H87-N144 WeakPolarHBondContact O-CB 3.07Å; H87-A145 HydrophobicContact CB-CB 4.4Å; H87-A145 WeakPolarHBondContact ND1-CB 3.42Å; H87-C148 VanDerWaalsContact C-SG 3.59Å
88K91.6Very high91.1Very high52 Ų5230.3 Ų30.323%0.22613%0.132CC..  trans-90.283.6179.4-59.1-65.7173.7168.70110.3M37 E39 A83 Y86 Q90 S91 L92M37-K88 WeakPolarHBondContact O-CE 2.93Å; M37-K88 PolarHBondContact O-NZ 2.89Å; E39-K88 HydrophobicContact CG-CB 4.14Å; E39-K88 HydrophobicContact CG-CD 3.89Å; E39-K88 WeakPolarHBondContact OE1-CA 3.25Å; A83-K88 HydrophobicContact CB-CB 4.34Å; A83-K88 PolarHBondContact O-N 3.29Å; Y86-K88 VanDerWaalsContact C-N 3.32Å; Y86-K88 PolarHBondContact O-N 3.1Å; K88-Q90 PolarHBondContact O-N 2.95Å; K88-S91 PolarHBondContact O-N 3.38Å; K88-L92 VanDerWaalsContact O-CB 3.24Å; K88-L92 WeakPolarHBondContact O-CB 3.4Å; K88-L92 PolarHBondContact O-N 2.96Å
89A92.3Very high91Very high3 Ų332.1 Ų32.13%0.02515%0.154CC..Hα-helixtrans-60.8-41-171.100000113.2E39 H87 L92 L93 T147 C148 I151E39-A89 PolarHBondContact OE1-N 3.26Å; H87-A89 PolarHBondContact O-N 3.38Å; A89-L92 PolarHBondContact O-N 3.17Å; A89-L93 WeakPolarHBondContact O-CB 3.22Å; A89-L93 PolarHBondContact O-N 3.37Å; A89-T147 HydrophobicContact CB-CG2 3.87Å; A89-C148 WeakPolarHBondContact CA-SG 3.49Å; A89-C148 PolarHBondContact N-SG 3.18Å; A89-I151 HydrophobicContact CB-CD1 4.17Å
90Q92.6Very high91.1Very high101 Ų10132.4 Ų32.447%0.47216%0.157SC..Hα-helixtrans-71.3-45.5-179-63-58.2-32.300111.4E39 K88 L92 L93 C94E39-Q90 HydrophobicContact CB-CB 4.03Å; E39-Q90 HydrophobicContact CG-CB 4.29Å; E39-Q90 PolarHBondContact OE1-N 2.97Å; E39-Q90 VanDerWaalsContact OE1-N 3.08Å; K88-Q90 PolarHBondContact O-N 2.95Å; Q90-L92 VanDerWaalsContact C-N 3.29Å; Q90-L92 PolarHBondContact O-N 3.23Å; Q90-L93 PolarHBondContact O-N 2.96Å; Q90-C94 WeakPolarHBondContact O-CB 3.31Å; Q90-C94 PolarHBondContact O-N 3.1Å
91S92.6Very high91Very high0 Ų035.8 Ų35.80%018%0.175CC..Hα-helixtrans-59-42174.5-57.20000111.6I36 E39 K88 C94 L95I36-S91 PolarHBondContact O-OG 3.3Å; E39-S91 WeakPolarHBondContact CA-OG 3.37Å; K88-S91 PolarHBondContact O-N 3.38Å; S91-C94 WeakPolarHBondContact O-CB 3.23Å; S91-C94 PolarHBondContact O-N 3.19Å; S91-L95 WeakPolarHBondContact O-CB 3.34Å; S91-L95 WeakPolarHBondContact O-CD1 3.41Å; S91-L95 WeakPolarHBondContact O-CG 3.26Å; S91-L95 PolarHBondContact O-N 3.44Å
92L93.5Very high91Very high0 Ų036.4 Ų36.40%018%0.179CC..Hα-helixtrans-62-46.8178.1-174.970000111.6I80 A83 K88 A89 Q90 C94 L95 L96 T112 I116 C148 I151 L152I80-L92 HydrophobicContact CD1-CD1 4.32Å; I80-L92 HydrophobicContact CG1-CD1 3.55Å; A83-L92 HydrophobicContact CB-CB 4.02Å; A83-L92 HydrophobicContact CB-CD1 4.13Å; K88-L92 VanDerWaalsContact O-CB 3.24Å; K88-L92 WeakPolarHBondContact O-CB 3.4Å; K88-L92 PolarHBondContact O-N 2.96Å; A89-L92 PolarHBondContact O-N 3.17Å; Q90-L92 VanDerWaalsContact C-N 3.29Å; Q90-L92 PolarHBondContact O-N 3.23Å; L92-C94 VanDerWaalsContact C-N 3.35Å; L92-L95 PolarHBondContact O-N 2.85Å; L92-L96 HydrophobicContact CG-CD1 4.21Å; L92-L96 WeakPolarHBondContact O-CG 3.5Å; L92-L96 PolarHBondContact O-N 3.19Å; L92-T112 HydrophobicContact CD1-CG2 4.46Å; L92-I116 HydrophobicContact CD2-CD1 4.45Å; L92-C148 HydrophobicContact CD2-CB 3.6Å; L92-I151 HydrophobicContact CD2-CG2 4.41Å; L92-I151 HydrophobicContact CG-CG2 4.48Å; L92-L152 HydrophobicContact CD1-CD2 4.22Å; L92-L152 HydrophobicContact CD2-CD2 4.33Å; L92-L152 HydrophobicContact CD2-CG 4.1Å
93L93.8Very high91Very high34 Ų3438.5 Ų38.518%0.17819%0.189CC..Hα-helixtrans-62-43.1176-179.361.6000111.7A89 Q90 L96 R97 I151A89-L93 WeakPolarHBondContact O-CB 3.22Å; A89-L93 PolarHBondContact O-N 3.37Å; Q90-L93 PolarHBondContact O-N 2.96Å; L93-L96 PolarHBondContact O-N 2.91Å; L93-R97 HydrophobicContact CD1-CG 4.49Å; L93-R97 WeakPolarHBondContact O-CG 3.5Å; L93-R97 PolarHBondContact O-N 3.41Å; L93-I151 HydrophobicContact CB-CD1 4.17Å; L93-I151 HydrophobicContact CB-CG2 4.3Å; L93-I151 HydrophobicContact CD1-CG2 4.07Å
94C92.3Very high91Very high7 Ų739.8 Ų39.85%0.04720%0.197CC..Hα-helixtrans-58.6-50.5176.1-172.50000110.7C41 Q90 S91 L92 L96 R97 H98C41-C94 HydrophobicContact CB-CB 4.2Å; Q90-C94 WeakPolarHBondContact O-CB 3.31Å; Q90-C94 PolarHBondContact O-N 3.1Å; S91-C94 WeakPolarHBondContact O-CB 3.23Å; S91-C94 PolarHBondContact O-N 3.19Å; L92-C94 VanDerWaalsContact C-N 3.35Å; C94-L96 VanDerWaalsContact C-N 3.34Å; C94-L96 PolarHBondContact O-N 3.39Å; C94-R97 PolarHBondContact O-N 3.27Å; C94-H98 PolarHBondContact O-CD2 2.86Å; C94-H98 PolarHBondContact O-N 3.19Å; C94-H98 VanDerWaalsContact O-N 3.15Å
95L92.4Very high90.8Very high0 Ų044.8 Ų44.80%022%0.216CC..Hα-helixtrans-58.9-44.5179.6-71.6163.8000112I36 I44 L48 V53 P79 A83 S91 L92 H98 G99 A100I36-L95 HydrophobicContact CD1-CD1 4.38Å; I44-L95 HydrophobicContact CG2-CD2 4.22Å; L48-L95 HydrophobicContact CD1-CD2 3.93Å; L48-L95 HydrophobicContact CD2-CD2 4.23Å; V53-L95 HydrophobicContact CG1-CD2 3.84Å; P79-L95 HydrophobicContact CB-CD1 4.06Å; P79-L95 HydrophobicContact CB-CD2 3.75Å; P79-L95 WeakPolarHBondContact O-CD1 3.45Å; A83-L95 HydrophobicContact CB-CD1 3.95Å; S91-L95 WeakPolarHBondContact O-CB 3.34Å; S91-L95 WeakPolarHBondContact O-CD1 3.41Å; S91-L95 WeakPolarHBondContact O-CG 3.26Å; S91-L95 PolarHBondContact O-N 3.44Å; L92-L95 PolarHBondContact O-N 2.85Å; L95-H98 CarbonylContact O-C 3.53Å; L95-H98 PolarHBondContact O-N 2.67Å; L95-H98 VanDerWaalsContact O-N 3.16Å; L95-G99 PolarHBondContact O-N 2.89Å; L95-A100 VanDerWaalsContact C-CB 3.47Å; L95-A100 HydrophobicContact CB-CB 4.03Å; L95-A100 WeakPolarHBondContact O-CB 3.42Å; L95-A100 PolarHBondContact O-N 2.67Å
96L92.5Very high90.6Very high14 Ų1444.2 Ų44.27%0.07322%0.215CC..Hα-helixtrans-63.7-41.7177.6-72.4163.4000112.8I80 L92 L93 C94 H98 G99 P102 I151 L152 H155I80-L96 HydrophobicContact CD1-CD2 3.67Å; I80-L96 HydrophobicContact CD1-CG 4.16Å; L92-L96 HydrophobicContact CG-CD1 4.21Å; L92-L96 WeakPolarHBondContact O-CG 3.5Å; L92-L96 PolarHBondContact O-N 3.19Å; L93-L96 PolarHBondContact O-N 2.91Å; C94-L96 VanDerWaalsContact C-N 3.34Å; C94-L96 PolarHBondContact O-N 3.39Å; L96-H98 PolarHBondContact O-N 3.15Å; L96-G99 PolarHBondContact O-N 2.89Å; L96-P102 HydrophobicContact CD2-CB 4.29Å; L96-I151 HydrophobicContact CD1-CG2 3.46Å; L96-I151 VanDerWaalsContact CD1-CG2 3.46Å; L96-L152 HydrophobicContact CD1-CD2 4.22Å; L96-H155 HydrophobicContact CD1-CB 4.02Å; L96-H155 HydrophobicContact CD2-CB 4.01Å; L96-H155 HydrophobicContact CG-CB 4.41Å
97R91.8Very high90.4Very high187 Ų18747.4 Ų47.471%0.70624%0.242SC*.Hα-helixtrans-60.8-28.1174.8-76.2177.2174-176.3-1.2112.8L93 C94 G99L93-R97 HydrophobicContact CD1-CG 4.49Å; L93-R97 WeakPolarHBondContact O-CG 3.5Å; L93-R97 PolarHBondContact O-N 3.41Å; C94-R97 PolarHBondContact O-N 3.27Å; R97-G99 VanDerWaalsContact C-N 3.33Å
98H90Very high89.9Confident84 Ų8451 Ų5139%0.38927%0.265SS..THydrogen-bonded Turntrans-91.713.7177.4-77-83.6000113.9E45 L48 V53 C94 L95 L96E45-H98 WeakPolarHBondContact CG-NE2 3.33Å; L48-H98 HydrophobicContact CD1-CB 3.79Å; V53-H98 HydrophobicContact CG2-CB 4.43Å; V53-H98 WeakPolarHBondContact CG2-O 3.42Å; C94-H98 PolarHBondContact O-CD2 2.86Å; C94-H98 PolarHBondContact O-N 3.19Å; C94-H98 VanDerWaalsContact O-N 3.15Å; L95-H98 CarbonylContact O-C 3.53Å; L95-H98 PolarHBondContact O-N 2.67Å; L95-H98 VanDerWaalsContact O-N 3.16Å; L96-H98 PolarHBondContact O-N 3.15Å
99G88.7Confident89.5Confident52 Ų5249.1 Ų49.154%0.53626%0.26SS..THydrogen-bonded Turntrans87.721.1173.400000114.5L95 L96 R97 D101L95-G99 PolarHBondContact O-N 2.89Å; L96-G99 PolarHBondContact O-N 2.89Å; R97-G99 VanDerWaalsContact C-N 3.33Å; G99-D101 PolarHBondContact O-N 3.29Å
100A91.1Very high89.1Confident7 Ų750.6 Ų50.66%0.05827%0.268CS..  trans-59.9132.8166.200000110V53 N54 I80 L95 P102V53-A100 HydrophobicContact CG1-CB 3.61Å; N54-A100 WeakPolarHBondContact OD1-CA 3.11Å; I80-A100 HydrophobicContact CB-CB 4.21Å; I80-A100 HydrophobicContact CD1-CB 3.89Å; I80-A100 HydrophobicContact CG1-CB 4.24Å; L95-A100 VanDerWaalsContact C-CB 3.47Å; L95-A100 HydrophobicContact CB-CB 4.03Å; L95-A100 WeakPolarHBondContact O-CB 3.42Å; L95-A100 PolarHBondContact O-N 2.67Å; A100-P102 WeakPolarHBondContact O-CD 3.34Å
101D89.7Confident88.9Confident71 Ų7146.3 Ų46.338%0.3825%0.249SC..  trans-84.9116.8177.1-179.72.9000109.5N54 G99 E103 V104N54-D101 PolarHBondContact OD1-N 3.14Å; G99-D101 PolarHBondContact O-N 3.29Å; D101-E103 PolarHBondContact O-N 2.84Å; D101-E103 WeakPolarHBondContact OD1-CB 3.26Å; D101-E103 PolarHBondContact OD1-N 3.03Å; D101-V104 HydrophobicContact CB-CB 4.36Å; D101-V104 WeakPolarHBondContact O-CB 3.46Å; D101-V104 VanDerWaalsContact O-CG1 3.24Å; D101-V104 WeakPolarHBondContact O-CG1 3.3Å; D101-V104 PolarHBondContact O-N 3.2Å
102P89.8Confident88.8Confident15 Ų1546.3 Ų46.310%0.09725%0.249CC..THydrogen-bonded Turntrans-63.2-23.5177.526.9-34.6000113.3L96 A100 T112 L152 A157L96-P102 HydrophobicContact CD2-CB 4.29Å; A100-P102 WeakPolarHBondContact O-CD 3.34Å; P102-T112 WeakPolarHBondContact O-CB 3.43Å; P102-T112 PolarHBondContact O-OG1 2.93Å; P102-L152 HydrophobicContact CB-CD2 4.3Å; P102-A157 HydrophobicContact CB-CB 4.12Å
103E90.4Very high88.6Confident44 Ų4446.4 Ų46.421%0.20625%0.249CC..THydrogen-bonded Turntrans-90.3-0.4-177.6-62.5-54.3124.500113.7D101 R105 A157 Q158D101-E103 PolarHBondContact O-N 2.84Å; D101-E103 WeakPolarHBondContact OD1-CB 3.26Å; D101-E103 PolarHBondContact OD1-N 3.03Å; E103-R105 PolarHBondContact O-N 3.26Å; E103-A157 WeakPolarHBondContact OE1-CA 3.37Å; E103-Q158 VanDerWaalsContact CD-CG 3.48Å; E103-Q158 HydrophobicContact CG-CG 4.07Å; E103-Q158 PolarHBondContact OE1-N 2.63Å; E103-Q158 WeakPolarHBondContact OE2-CB 3.37Å
104V89.4Confident88.2Confident27 Ų2745.5 Ų45.516%0.16424%0.244CC..  trans-58134.4174.976.70000110.1N54 I78 I80 H81 D101N54-V104 HydrophobicContact CB-CG2 4.49Å; I78-V104 HydrophobicContact CD1-CB 4.47Å; I78-V104 HydrophobicContact CD1-CG1 4.03Å; I78-V104 HydrophobicContact CD1-CG2 3.64Å; I78-V104 HydrophobicContact CG2-CG1 4.04Å; I80-V104 HydrophobicContact CG2-CG1 3.69Å; H81-V104 PolarHBondContact CE1-O 3.19Å; H81-V104 VanDerWaalsContact CE1-O 3.28Å; H81-V104 PolarHBondContact NE2-O 3.25Å; D101-V104 HydrophobicContact CB-CB 4.36Å; D101-V104 WeakPolarHBondContact O-CB 3.46Å; D101-V104 VanDerWaalsContact O-CG1 3.24Å; D101-V104 WeakPolarHBondContact O-CG1 3.3Å; D101-V104 PolarHBondContact O-N 3.2Å
105R87.1Confident88Confident106 Ų10645.9 Ų45.940%0.425%0.245SC..BIsolated β-bridgetrans-100.1139.2-176.3-65.6-179.3-179.1-113.65.4110.8E103 G109 L110 T111 E164E103-R105 PolarHBondContact O-N 3.26Å; R105-G109 PolarHBondContact NH1-O 3.37Å; R105-L110 WeakPolarHBondContact CA-O 3.28Å; R105-T111 HydrophobicContact CG-CG2 4.4Å; R105-E164 IonicContact CZ-OE1 2.7Å; R105-E164 IonicContact NH1-OE1 3.9Å; R105-E164 PolarHBondContact NH1-OE1 3.48Å
106D84.6Confident87.9Confident36 Ų3645.9 Ų45.919%0.19325%0.245CC..  trans-75.2-178.2172.272.35.2000111.3H81 T108 G109 L110H81-D106 PolarHBondContact CE1-N 3.07Å; D106-T108 VanDerWaalsContact CG-OG1 3.24Å; D106-T108 PolarHBondContact O-N 2.94Å; D106-T108 VanDerWaalsContact O-N 3.09Å; D106-T108 VanDerWaalsContact OD1-C 3.28Å; D106-T108 VanDerWaalsContact OD1-CA 3.27Å; D106-T108 WeakPolarHBondContact OD1-CA 3.48Å; D106-T108 WeakPolarHBondContact OD1-CB 3.38Å; D106-T108 PolarHBondContact OD1-N 2.87Å; D106-T108 PolarHBondContact OD1-OG1 3.44Å; D106-T108 PolarHBondContact OD2-OG1 3.24Å; D106-T108 VanDerWaalsContact OD2-OG1 3.1Å; D106-G109 PolarHBondContact O-N 3.03Å; D106-G109 PolarHBondContact OD1-N 3.23Å; D106-L110 PolarHBondContact N-O 3.45Å; D106-L110 PolarHBondContact OD1-N 3.01Å
107T82.6Confident87.7Confident137 Ų13745.2 Ų45.284%0.8424%0.242SC*.THydrogen-bonded Turntrans-62.3-15.3177.654.20000113.8
108T79.9Confident87.4Confident95 Ų9538.8 Ų38.858%0.58322%0.221SC*.THydrogen-bonded Turntrans-100.41.4177.572.50000112.8D106 L110D106-T108 VanDerWaalsContact CG-OG1 3.24Å; D106-T108 PolarHBondContact O-N 2.94Å; D106-T108 VanDerWaalsContact O-N 3.09Å; D106-T108 VanDerWaalsContact OD1-C 3.28Å; D106-T108 VanDerWaalsContact OD1-CA 3.27Å; D106-T108 WeakPolarHBondContact OD1-CA 3.48Å; D106-T108 WeakPolarHBondContact OD1-CB 3.38Å; D106-T108 PolarHBondContact OD1-N 2.87Å; D106-T108 PolarHBondContact OD1-OG1 3.44Å; D106-T108 PolarHBondContact OD2-OG1 3.24Å; D106-T108 VanDerWaalsContact OD2-OG1 3.1Å; T108-L110 WeakPolarHBondContact OG1-CD1 3.3Å; T108-L110 VanDerWaalsContact OG1-CG 3.25Å; T108-L110 WeakPolarHBondContact OG1-CG 3.27Å
109G83Confident87.2Confident12 Ų1238.8 Ų38.812%0.12422%0.221CC..SBendtrans82.611.6179.600000114.6R105 D106R105-G109 PolarHBondContact NH1-O 3.37Å; D106-G109 PolarHBondContact O-N 3.03Å; D106-G109 PolarHBondContact OD1-N 3.23Å
110L83.5Confident87Confident33 Ų3337.1 Ų37.117%0.17320%0.198CC..  trans-88.2139.6-177.8-57.7171.4000111.6R105 D106 T108 K114 L115 L118R105-L110 WeakPolarHBondContact CA-O 3.28Å; D106-L110 PolarHBondContact N-O 3.45Å; D106-L110 PolarHBondContact OD1-N 3.01Å; T108-L110 WeakPolarHBondContact OG1-CD1 3.3Å; T108-L110 VanDerWaalsContact OG1-CG 3.25Å; T108-L110 WeakPolarHBondContact OG1-CG 3.27Å; L110-K114 HydrophobicContact CB-CB 4.4Å; L110-K114 HydrophobicContact CB-CG 4.5Å; L110-K114 HydrophobicContact CD2-CG 3.78Å; L110-L115 HydrophobicContact CB-CD2 4.33Å; L110-L115 HydrophobicContact CB-CG 4.32Å; L110-L115 HydrophobicContact CD1-CD2 3.94Å; L110-L118 HydrophobicContact CD1-CD1 3.54Å
111T89.2Confident86.5Confident12 Ų1237.8 Ų37.87%0.07420%0.202CC..BIsolated β-bridgetrans-82.2163.6172.963.50000111.7R105 L113 K114 L115R105-T111 HydrophobicContact CG-CG2 4.4Å; T111-L113 VanDerWaalsContact C-N 3.28Å; T111-L113 PolarHBondContact O-N 2.86Å; T111-K114 WeakPolarHBondContact O-CB 3.43Å; T111-K114 PolarHBondContact O-N 2.98Å; T111-L115 PolarHBondContact O-N 3.37Å; T111-L115 VanDerWaalsContact O-N 3.13Å
112T89.4Confident85.5Confident0 Ų039.8 Ų39.80%022%0.216CC..Hα-helixtrans-54.9-43.4178.5-46.40000112.5I80 H81 A84 L92 P102 K114 L115 I116 L152I80-T112 HydrophobicContact CD1-CG2 4.11Å; I80-T112 HydrophobicContact CG1-CG2 3.97Å; I80-T112 HydrophobicContact CG2-CG2 4.42Å; H81-T112 PolarHBondContact CD2-OG1 2.79Å; H81-T112 VanDerWaalsContact CD2-OG1 3.24Å; H81-T112 PolarHBondContact NE2-OG1 3.35Å; A84-T112 HydrophobicContact CB-CG2 3.54Å; L92-T112 HydrophobicContact CD1-CG2 4.46Å; P102-T112 WeakPolarHBondContact O-CB 3.43Å; P102-T112 PolarHBondContact O-OG1 2.93Å; T112-K114 VanDerWaalsContact C-N 3.31Å; T112-K114 PolarHBondContact O-N 3.01Å; T112-L115 PolarHBondContact O-N 3.12Å; T112-I116 PolarHBondContact O-N 3.33Å; T112-L152 HydrophobicContact CG2-CD1 3.9Å; T112-L152 HydrophobicContact CG2-CD2 3.86Å
113L89.8Confident84.1Confident1 Ų141 Ų411%0.00522%0.224CC..Hα-helixtrans-60.3-42.9178.4-173.7158000111.2T111 L115 I116 L117 L149 L152 A157 V159 P170 L186T111-L113 VanDerWaalsContact C-N 3.28Å; T111-L113 PolarHBondContact O-N 2.86Å; L113-L115 VanDerWaalsContact C-N 3.35Å; L113-L115 PolarHBondContact O-N 3.49Å; L113-I116 PolarHBondContact O-N 3.17Å; L113-L117 HydrophobicContact CD2-CD1 3.74Å; L113-L117 HydrophobicContact CD2-CG 4.3Å; L113-L117 WeakPolarHBondContact O-CG 3.46Å; L113-L117 PolarHBondContact O-N 3.29Å; L113-L149 HydrophobicContact CG-CD1 4.37Å; L113-L152 HydrophobicContact CB-CD1 4.25Å; L113-A157 HydrophobicContact CD1-CB 4.06Å; L113-V159 HydrophobicContact CD1-CG1 4.24Å; L113-P170 HydrophobicContact CD2-CB 3.56Å; L113-P170 HydrophobicContact CD2-CG 3.47Å; L113-P170 VanDerWaalsContact CD2-CG 3.47Å; L113-L186 HydrophobicContact CD1-CD2 4.39Å
114K86.1Confident82.3Confident16 Ų1642.8 Ų42.87%0.0724%0.241CC..Hα-helixtrans-63-42.1179.6-161.777.4172.2172.10111.6L110 T111 T112 I116 L117 L118 R168 L173L110-K114 HydrophobicContact CB-CB 4.4Å; L110-K114 HydrophobicContact CB-CG 4.5Å; L110-K114 HydrophobicContact CD2-CG 3.78Å; T111-K114 WeakPolarHBondContact O-CB 3.43Å; T111-K114 PolarHBondContact O-N 2.98Å; T112-K114 VanDerWaalsContact C-N 3.31Å; T112-K114 PolarHBondContact O-N 3.01Å; K114-I116 PolarHBondContact O-N 2.95Å; K114-L117 PolarHBondContact O-N 3.38Å; K114-L117 VanDerWaalsContact O-N 3.16Å; K114-L118 HydrophobicContact CG-CD1 4.41Å; K114-L118 WeakPolarHBondContact O-CG 3.44Å; K114-L118 PolarHBondContact O-N 3.09Å; K114-R168 PolarHBondContact NZ-O 2.88Å; K114-L173 HydrophobicContact CD-CD1 3.3Å; K114-L173 HydrophobicContact CD-CG 4.12Å; K114-L173 HydrophobicContact CG-CD1 3.91Å; K114-L173 VanDerWaalsContact NZ-CD1 3.29Å
115L88.1Confident80.4Confident15 Ų1548 Ų488%0.07927%0.274CS..Hα-helixtrans-62.3-40.8178.4-70.6171.4000112.2H81 L110 T111 T112 L113 L117 L118 H119H81-L115 HydrophobicContact CB-CD1 3.61Å; H81-L115 VanDerWaalsContact CG-CD1 3.45Å; L110-L115 HydrophobicContact CB-CD2 4.33Å; L110-L115 HydrophobicContact CB-CG 4.32Å; L110-L115 HydrophobicContact CD1-CD2 3.94Å; T111-L115 PolarHBondContact O-N 3.37Å; T111-L115 VanDerWaalsContact O-N 3.13Å; T112-L115 PolarHBondContact O-N 3.12Å; L113-L115 VanDerWaalsContact C-N 3.35Å; L113-L115 PolarHBondContact O-N 3.49Å; L115-L117 VanDerWaalsContact C-N 3.28Å; L115-L117 PolarHBondContact O-N 2.85Å; L115-L118 HydrophobicContact CD2-CD1 4.41Å; L115-L118 PolarHBondContact O-N 3.5Å; L115-H119 PolarHBondContact O-CD2 2.99Å; L115-H119 PolarHBondContact O-N 3.23Å
116I89.6Confident78.3Confident0 Ų048.2 Ų48.20%029%0.286CS..Hα-helixtrans-57.5-44.1173.4-65.1-165.8000110.9A84 L92 T112 L113 K114 H119 W120 C148 L152A84-I116 HydrophobicContact CB-CD1 4.04Å; A84-I116 HydrophobicContact CB-CG1 3.54Å; L92-I116 HydrophobicContact CD2-CD1 4.45Å; T112-I116 PolarHBondContact O-N 3.33Å; L113-I116 PolarHBondContact O-N 3.17Å; K114-I116 PolarHBondContact O-N 2.95Å; I116-H119 CarbonylContact O-C 3.53Å; I116-H119 PolarHBondContact O-N 3.01Å; I116-W120 HydrophobicContact CG2-CE3 4.12Å; I116-W120 HydrophobicContact CG2-CZ3 4.17Å; I116-W120 PolarHBondContact O-N 3.13Å; I116-W120 VanDerWaalsContact O-N 3.09Å; I116-C148 HydrophobicContact CD1-CB 3.61Å; I116-L152 HydrophobicContact CD1-CD1 3.35Å; I116-L152 HydrophobicContact CD1-CG 4.2Å; I116-L152 HydrophobicContact CG1-CD1 4.1Å
117L87.8Confident76.4Confident0 Ų054.8 Ų54.80%031%0.309CS..Hα-helixtrans-70.3-36.4-178.6-62.4-177.1000112.7L113 K114 L115 H119 W120 P170 L173 Y177 V182 L186L113-L117 HydrophobicContact CD2-CD1 3.74Å; L113-L117 HydrophobicContact CD2-CG 4.3Å; L113-L117 WeakPolarHBondContact O-CG 3.46Å; L113-L117 PolarHBondContact O-N 3.29Å; K114-L117 PolarHBondContact O-N 3.38Å; K114-L117 VanDerWaalsContact O-N 3.16Å; L115-L117 VanDerWaalsContact C-N 3.28Å; L115-L117 PolarHBondContact O-N 2.85Å; L117-H119 VanDerWaalsContact C-N 3.33Å; L117-W120 HydrophobicContact CD2-CE3 4.45Å; L117-W120 WeakPolarHBondContact O-CB 3.36Å; L117-W120 PolarHBondContact O-N 3.47Å; L117-P170 HydrophobicContact CD1-CB 3.76Å; L117-P170 WeakPolarHBondContact CD1-O 3.43Å; L117-L173 HydrophobicContact CB-CB 4.14Å; L117-L173 HydrophobicContact CB-CD1 3.7Å; L117-L173 HydrophobicContact CD1-CB 4.14Å; L117-L173 HydrophobicContact CD1-CD1 4.21Å; L117-Y177 WeakPolarHBondContact O-CD2 3.28Å; L117-V182 HydrophobicContact CD2-CB 4.47Å; L117-V182 HydrophobicContact CD2-CG1 3.48Å; L117-V182 VanDerWaalsContact CD2-CG1 3.48Å; L117-V182 HydrophobicContact CD2-CG2 4.2Å; L117-L186 HydrophobicContact CD1-CD1 4.42Å
118L85.5Confident74.6Confident52 Ų5253 Ų5327%0.27231%0.308SS..Hα-helixtrans-66.1-36.4175.2-70.4172000112.1L110 K114 L115 L173 Y177L110-L118 HydrophobicContact CD1-CD1 3.54Å; K114-L118 HydrophobicContact CG-CD1 4.41Å; K114-L118 WeakPolarHBondContact O-CG 3.44Å; K114-L118 PolarHBondContact O-N 3.09Å; L115-L118 HydrophobicContact CD2-CD1 4.41Å; L115-L118 PolarHBondContact O-N 3.5Å; L118-L173 HydrophobicContact CD2-CD1 4.28Å; L118-L173 HydrophobicContact CG-CD1 4.34Å; L118-Y177 HydrophobicContact CD2-CE2 3.85Å; L118-Y177 WeakPolarHBondContact CD2-OH 3.43Å
119H85.2Confident73.5Confident83 Ų8358.2 Ų58.238%0.38432%0.322SS..THydrogen-bonded Turntrans-98.221.2179.5-67.8-68.6000113.1H87 L115 I116 L117H87-H119 PolarHBondContact CE1-O 2.8Å; H87-H119 VanDerWaalsContact CE1-O 3.28Å; H87-H119 PolarHBondContact NE2-O 3.16Å; L115-H119 PolarHBondContact O-CD2 2.99Å; L115-H119 PolarHBondContact O-N 3.23Å; I116-H119 CarbonylContact O-C 3.53Å; I116-H119 PolarHBondContact O-N 3.01Å; L117-H119 VanDerWaalsContact C-N 3.33Å
120W85.7Confident72Confident18 Ų1859.7 Ų59.77%0.06833%0.33CS..  trans-61.4133.4-178.1-168.5-88.6000111.1I116 L117 V122 A145 I146 L149 C179 V182I116-W120 HydrophobicContact CG2-CE3 4.12Å; I116-W120 HydrophobicContact CG2-CZ3 4.17Å; I116-W120 PolarHBondContact O-N 3.13Å; I116-W120 VanDerWaalsContact O-N 3.09Å; L117-W120 HydrophobicContact CD2-CE3 4.45Å; L117-W120 WeakPolarHBondContact O-CB 3.36Å; L117-W120 PolarHBondContact O-N 3.47Å; W120-V122 PolarHBondContact O-N 3.28Å; W120-A145 HydrophobicContact CE3-CB 4.11Å; W120-A145 HydrophobicContact CH2-CB 4.02Å; W120-A145 HydrophobicContact CZ2-CB 4.44Å; W120-A145 HydrophobicContact CZ3-CB 3.84Å; W120-I146 HydrophobicContact CH2-CB 4.44Å; W120-I146 HydrophobicContact CH2-CG1 3.64Å; W120-I146 HydrophobicContact CZ2-CG1 3.88Å; W120-L149 HydrophobicContact CZ3-CD2 4.45Å; W120-C179 HydrophobicContact CD2-CB 4.37Å; W120-C179 HydrophobicContact CG-CB 4.27Å; W120-V182 HydrophobicContact CD2-CG2 3.91Å; W120-V182 HydrophobicContact CE3-CG2 3.72Å; W120-V182 HydrophobicContact CH2-CG2 3.28Å; W120-V182 HydrophobicContact CZ2-CG2 3.49Å; W120-V182 VanDerWaalsContact CZ2-CG2 3.49Å; W120-V182 HydrophobicContact CZ3-CG2 3.41Å; W120-V182 VanDerWaalsContact CZ3-CG2 3.41Å
121P80.1Confident70.9Confident21 Ų2160.7 Ų60.714%0.13635%0.348CS..  trans-65.9107179.426.3-34.8000111T123 I141 Q142 A145P121-T123 PolarHBondContact O-N 2.81Å; P121-T123 VanDerWaalsContact O-N 3.15Å; P121-I141 HydrophobicContact CB-CG2 3.67Å; P121-I141 HydrophobicContact CG-CG2 3.98Å; P121-Q142 HydrophobicContact CB-CG 4.4Å; P121-Q142 HydrophobicContact CG-CG 4Å; P121-A145 HydrophobicContact CG-CB 3.92Å
122V68.3Low70.1Confident112 Ų11266.5 Ų66.568%0.67938%0.379SS*.  trans-77.497.1174.4-1750000108.7W120W120-V122 PolarHBondContact O-N 3.28Å
123T61.3Low69.5Low41 Ų4175.8 Ų75.825%0.25241%0.414SS..  trans-95.4109.1168.767.80000108.7P121 T125 L138 Q142P121-T123 PolarHBondContact O-N 2.81Å; P121-T123 VanDerWaalsContact O-N 3.15Å; T123-T125 PolarHBondContact O-N 3.1Å; T123-L138 HydrophobicContact CG2-CB 4.32Å; T123-L138 HydrophobicContact CG2-CD2 4.34Å; T123-Q142 HydrophobicContact CG2-CG 3.89Å; T123-Q142 VanDerWaalsContact CG2-NE2 3.31Å; T123-Q142 PolarHBondContact OG1-NE2 3.44Å
124S53Low68.7Low82 Ų8281.7 Ų81.757%0.57344%0.443SS*.  trans-69.1117.4168.7-1550000108.3T126S124-T126 PolarHBondContact O-N 3.36Å; S124-T126 PolarHBondContact OG-OG1 3.23Å
125T48.2Very low68.2Low137 Ų13785.8 Ų85.884%0.8446%0.462SS*.THydrogen-bonded Turntrans-73.812.2-176.544.80000113.9T123T123-T125 PolarHBondContact O-N 3.1Å
126T43.3Very low67.6Low109 Ų10992.2 Ų92.267%0.66949%0.485SS*.THydrogen-bonded Turntrans-91.710.9-176.153.50000114.5S124 A128S124-T126 PolarHBondContact O-N 3.36Å; S124-T126 PolarHBondContact OG-OG1 3.23Å; T126-A128 PolarHBondContact O-N 3.44Å; T126-A128 VanDerWaalsContact O-N 3.15Å
127W45.3Very low67.2Low175 Ų17596 Ų9666%0.66350%0.504SS*.  trans-82.198.6176.2-72.3-4.5000111.5K129 L138W127-K129 PolarHBondContact O-N 2.88Å; W127-K129 VanDerWaalsContact O-N 3.12Å; W127-L138 HydrophobicContact CE3-CD1 4.33Å; W127-L138 HydrophobicContact CZ3-CD1 3.87Å
128A43.8Very low66.8Low99 Ų9998.7 Ų98.782%0.81852%0.519SS*.SBendtrans-63.2109165.500000109.4T126T126-A128 PolarHBondContact O-N 3.44Å; T126-A128 VanDerWaalsContact O-N 3.15Å
129K58Low66.5Low204 Ų20498 Ų9889%0.88752%0.517SS*.  trans62.377.3175.7-64.5-176.5178.5179.20115.9W127W127-K129 PolarHBondContact O-N 2.88Å; W127-K129 VanDerWaalsContact O-N 3.12Å
130P51.1Low66.4Low43 Ų4397.8 Ų97.828%0.27952%0.519SS..  trans-74.3127.1163.729.7-27.7000109.4N132 H135P130-N132 PolarHBondContact O-N 3.25Å; P130-H135 HydrophobicContact CB-CB 3.96Å; P130-H135 HydrophobicContact CG-CB 3.75Å
131G60.9Low66.3Low55 Ų55100.2 Ų100.257%0.56753%0.532SS*.  trans-52.2138.2170.300000110.9R133 M134G131-R133 PolarHBondContact O-N 3.07Å; G131-M134 PolarHBondContact O-N 3.15Å
132N70.9Confident66.5Low134 Ų134101.6 Ų101.672%0.71754%0.537SS*.Hα-helixtrans-48.8-18.2-165-62.8-10.9000116.8P130 R136P130-N132 PolarHBondContact O-N 3.25Å; N132-R136 WeakPolarHBondContact O-CB 3.39Å
133R76.9Confident67.3Low195 Ų195100.3 Ų100.374%0.73653%0.526SS*.Hα-helixtrans-84.9-47.8178-174.3-179-78.7-174.2-4.1113.1G131 H135 R136 I137G131-R133 PolarHBondContact O-N 3.07Å; R133-H135 VanDerWaalsContact C-N 3.34Å; R133-R136 WeakPolarHBondContact O-CB 3.13Å; R133-R136 PolarHBondContact O-N 3.45Å; R133-I137 HydrophobicContact CG-CD1 4.06Å; R133-I137 WeakPolarHBondContact O-CG1 3.42Å; R133-I137 PolarHBondContact O-N 3.25Å
134M74.1Confident68.6Low125 Ų125101.3 Ų101.362%0.61653%0.53SS*.Hα-helixtrans-68.1-38.6-178.5-69.5-57.8-174.700111.4G131 R136 I137 L138G131-M134 PolarHBondContact O-N 3.15Å; M134-R136 VanDerWaalsContact C-N 3.31Å; M134-R136 PolarHBondContact O-N 3.32Å; M134-I137 PolarHBondContact O-N 3.13Å; M134-I137 HydrophobicContact SD-CD1 4.42Å; M134-L138 WeakPolarHBondContact O-CG 3.2Å; M134-L138 PolarHBondContact O-N 2.62Å
135H74.8Confident70.4Confident101 Ų10197.4 Ų97.447%0.46850%0.502SS..Hα-helixtrans-57.2-47.5172.2-171.458.5000111.5P130 R133 I137 L138 T139P130-H135 HydrophobicContact CB-CB 3.96Å; P130-H135 HydrophobicContact CG-CB 3.75Å; R133-H135 VanDerWaalsContact C-N 3.34Å; H135-I137 PolarHBondContact O-N 3.24Å; H135-L138 PolarHBondContact O-N 3.44Å; H135-T139 WeakPolarHBondContact O-CG2 3.25Å; H135-T139 PolarHBondContact O-N 3.38Å; H135-T139 PolarHBondContact O-OG1 3.47Å
136R76.6Confident72.4Confident151 Ų15192.7 Ų92.757%0.5747%0.472SS*.Hα-helixtrans-61.4-45.4-179.7-164.2-176-47.8174.91.7112.3N132 R133 M134 L138 T139 D140N132-R136 WeakPolarHBondContact O-CB 3.39Å; R133-R136 WeakPolarHBondContact O-CB 3.13Å; R133-R136 PolarHBondContact O-N 3.45Å; M134-R136 VanDerWaalsContact C-N 3.31Å; M134-R136 PolarHBondContact O-N 3.32Å; R136-L138 VanDerWaalsContact C-N 3.33Å; R136-L138 PolarHBondContact O-N 2.96Å; R136-T139 VanDerWaalsContact CA-OG1 3.29Å; R136-T139 WeakPolarHBondContact CA-OG1 3.16Å; R136-T139 PolarHBondContact O-N 3.45Å; R136-T139 PolarHBondContact O-OG1 3.34Å; R136-D140 WeakPolarHBondContact O-CB 3.33Å; R136-D140 PolarHBondContact O-N 3.39Å
137I80.6Confident74.7Confident78 Ų7890.1 Ų90.140%0.446%0.456SS..Hα-helixtrans-61.1-43.6176.8-66.3166000110.8R133 M134 H135 D140 I141R133-I137 HydrophobicContact CG-CD1 4.06Å; R133-I137 WeakPolarHBondContact O-CG1 3.42Å; R133-I137 PolarHBondContact O-N 3.25Å; M134-I137 PolarHBondContact O-N 3.13Å; M134-I137 HydrophobicContact SD-CD1 4.42Å; H135-I137 PolarHBondContact O-N 3.24Å; I137-D140 PolarHBondContact O-N 3.5Å; I137-I141 HydrophobicContact CG2-CD1 3.93Å; I137-I141 VanDerWaalsContact O-CG1 3.25Å; I137-I141 WeakPolarHBondContact O-CG1 3.42Å; I137-I141 PolarHBondContact O-N 3.28Å
138L78.1Confident76.9Confident57 Ų5781.8 Ų81.830%0.29842%0.424SS..Hα-helixtrans-66.1-42.2178-70.3172.1000112.2T123 W127 M134 H135 R136 D140 I141 Q142T123-L138 HydrophobicContact CG2-CB 4.32Å; T123-L138 HydrophobicContact CG2-CD2 4.34Å; W127-L138 HydrophobicContact CE3-CD1 4.33Å; W127-L138 HydrophobicContact CZ3-CD1 3.87Å; M134-L138 WeakPolarHBondContact O-CG 3.2Å; M134-L138 PolarHBondContact O-N 2.62Å; H135-L138 PolarHBondContact O-N 3.44Å; R136-L138 VanDerWaalsContact C-N 3.33Å; R136-L138 PolarHBondContact O-N 2.96Å; L138-D140 VanDerWaalsContact C-N 3.32Å; L138-D140 PolarHBondContact O-N 2.89Å; L138-I141 PolarHBondContact O-N 2.95Å; L138-Q142 WeakPolarHBondContact O-CG 3.37Å; L138-Q142 PolarHBondContact O-N 3.24Å
139T80.1Confident79.2Confident39 Ų3977 Ų7724%0.23939%0.385CS..Hα-helixtrans-64.4-38175.352.50000111.6H135 R136 Q142 N143H135-T139 WeakPolarHBondContact O-CG2 3.25Å; H135-T139 PolarHBondContact O-N 3.38Å; H135-T139 PolarHBondContact O-OG1 3.47Å; R136-T139 VanDerWaalsContact CA-OG1 3.29Å; R136-T139 WeakPolarHBondContact CA-OG1 3.16Å; R136-T139 PolarHBondContact O-N 3.45Å; R136-T139 PolarHBondContact O-OG1 3.34Å; T139-Q142 PolarHBondContact O-N 2.92Å; T139-N143 WeakPolarHBondContact O-CB 3.13Å; T139-N143 PolarHBondContact O-N 2.99Å; T139-N143 PolarHBondContact O-ND2 3.07Å; T139-N143 VanDerWaalsContact O-ND2 3.17Å
140D83.6Confident80.8Confident78 Ų7875 Ų7542%0.41737%0.372SS..Hα-helixtrans-66-42.8177.7-67.8-16.8000111.1R136 I137 L138 Q142 N143 N144R136-D140 WeakPolarHBondContact O-CB 3.33Å; R136-D140 PolarHBondContact O-N 3.39Å; I137-D140 PolarHBondContact O-N 3.5Å; L138-D140 VanDerWaalsContact C-N 3.32Å; L138-D140 PolarHBondContact O-N 2.89Å; D140-Q142 VanDerWaalsContact C-N 3.32Å; D140-Q142 PolarHBondContact O-N 3.49Å; D140-N143 PolarHBondContact O-N 3.23Å; D140-N144 WeakPolarHBondContact O-CB 3.48Å; D140-N144 PolarHBondContact O-N 3.2Å
141I83.6Confident82.8Confident68 Ų6874.1 Ų74.135%0.34937%0.365SS..Hα-helixtrans-60.2-43.3174.7-67.9164.6000110.8P121 I137 L138 N144 A145P121-I141 HydrophobicContact CB-CG2 3.67Å; P121-I141 HydrophobicContact CG-CG2 3.98Å; I137-I141 HydrophobicContact CG2-CD1 3.93Å; I137-I141 VanDerWaalsContact O-CG1 3.25Å; I137-I141 WeakPolarHBondContact O-CG1 3.42Å; I137-I141 PolarHBondContact O-N 3.28Å; L138-I141 PolarHBondContact O-N 2.95Å; I141-N144 PolarHBondContact O-N 3.33Å; I141-A145 PolarHBondContact O-N 2.88Å
142Q83.3Confident84.3Confident50 Ų5071.5 Ų71.523%0.23434%0.338CS..Hα-helixtrans-65.8-44.7176.7-72.1-169.1-47.500112.7P121 T123 L138 T139 D140 N144 A145 I146P121-Q142 HydrophobicContact CB-CG 4.4Å; P121-Q142 HydrophobicContact CG-CG 4Å; T123-Q142 HydrophobicContact CG2-CG 3.89Å; T123-Q142 VanDerWaalsContact CG2-NE2 3.31Å; T123-Q142 PolarHBondContact OG1-NE2 3.44Å; L138-Q142 WeakPolarHBondContact O-CG 3.37Å; L138-Q142 PolarHBondContact O-N 3.24Å; T139-Q142 PolarHBondContact O-N 2.92Å; D140-Q142 VanDerWaalsContact C-N 3.32Å; D140-Q142 PolarHBondContact O-N 3.49Å; Q142-N144 VanDerWaalsContact C-N 3.27Å; Q142-N144 PolarHBondContact O-N 3.04Å; Q142-A145 PolarHBondContact O-N 3.44Å; Q142-I146 WeakPolarHBondContact O-CB 3.39Å; Q142-I146 VanDerWaalsContact O-CG1 3.29Å; Q142-I146 WeakPolarHBondContact O-CG1 3.35Å; Q142-I146 PolarHBondContact O-N 2.99Å
143N86.4Confident85.2Confident85 Ų8565.7 Ų65.746%0.45531%0.308SS..Hα-helixtrans-62-39177.9-71.7-24.1000111T139 D140 I146 T147T139-N143 WeakPolarHBondContact O-CB 3.13Å; T139-N143 PolarHBondContact O-N 2.99Å; T139-N143 PolarHBondContact O-ND2 3.07Å; T139-N143 VanDerWaalsContact O-ND2 3.17Å; D140-N143 PolarHBondContact O-N 3.23Å; N143-I146 PolarHBondContact O-N 3.43Å; N143-T147 VanDerWaalsContact O-CB 3.3Å; N143-T147 WeakPolarHBondContact O-CB 3.27Å; N143-T147 PolarHBondContact O-N 3.12Å; N143-T147 PolarHBondContact O-OG1 3.48Å
144N88.6Confident85.9Confident62 Ų6260.2 Ų60.233%0.33230%0.304SS..Hα-helixtrans-65.7-45174.7-79.2-6.3000112H87 D140 I141 Q142 I146 T147 C148H87-N144 HydrophobicContact CB-CB 4.33Å; H87-N144 WeakPolarHBondContact O-CB 3.07Å; D140-N144 WeakPolarHBondContact O-CB 3.48Å; D140-N144 PolarHBondContact O-N 3.2Å; I141-N144 PolarHBondContact O-N 3.33Å; Q142-N144 VanDerWaalsContact C-N 3.27Å; Q142-N144 PolarHBondContact O-N 3.04Å; N144-I146 VanDerWaalsContact C-N 3.34Å; N144-I146 PolarHBondContact O-N 3.03Å; N144-T147 PolarHBondContact O-N 3.28Å; N144-T147 VanDerWaalsContact O-N 3.14Å; N144-C148 PolarHBondContact O-N 3.31Å; N144-C148 PolarHBondContact O-SG 3.44Å
145A89.2Confident86.7Confident0 Ų057.9 Ų57.90%029%0.291CS..Hα-helixtrans-60.5-42.9175.600000112.2H87 W120 P121 I141 Q142 T147 C148 L149H87-A145 HydrophobicContact CB-CB 4.4Å; H87-A145 WeakPolarHBondContact ND1-CB 3.42Å; W120-A145 HydrophobicContact CE3-CB 4.11Å; W120-A145 HydrophobicContact CH2-CB 4.02Å; W120-A145 HydrophobicContact CZ2-CB 4.44Å; W120-A145 HydrophobicContact CZ3-CB 3.84Å; P121-A145 HydrophobicContact CG-CB 3.92Å; I141-A145 PolarHBondContact O-N 2.88Å; Q142-A145 PolarHBondContact O-N 3.44Å; A145-T147 VanDerWaalsContact C-N 3.35Å; A145-C148 PolarHBondContact O-N 3.29Å; A145-L149 PolarHBondContact O-N 3.43Å
146I90.4Very high87.2Confident39 Ų3955.3 Ų55.320%0.229%0.293CS..Hα-helixtrans-60.7-45173.3-70.6166.5000110.6W120 Q142 N143 N144 L149 R150 P181 I185W120-I146 HydrophobicContact CH2-CB 4.44Å; W120-I146 HydrophobicContact CH2-CG1 3.64Å; W120-I146 HydrophobicContact CZ2-CG1 3.88Å; Q142-I146 WeakPolarHBondContact O-CB 3.39Å; Q142-I146 VanDerWaalsContact O-CG1 3.29Å; Q142-I146 WeakPolarHBondContact O-CG1 3.35Å; Q142-I146 PolarHBondContact O-N 2.99Å; N143-I146 PolarHBondContact O-N 3.43Å; N144-I146 VanDerWaalsContact C-N 3.34Å; N144-I146 PolarHBondContact O-N 3.03Å; I146-L149 PolarHBondContact O-N 3.31Å; I146-R150 WeakPolarHBondContact O-CG 3.43Å; I146-R150 PolarHBondContact O-N 3.05Å; I146-P181 HydrophobicContact CD1-CB 4.1Å; I146-P181 HydrophobicContact CD1-CG 4.4Å; I146-P181 HydrophobicContact CG1-CB 4.41Å; I146-I185 HydrophobicContact CG2-CD1 3.83Å
147T91.8Very high87.8Confident54 Ų5448.6 Ų48.633%0.33127%0.269SS..Hα-helixtrans-64.3-44.7-179.7-580000110.9A89 N143 N144 A145 L149 R150 I151A89-T147 HydrophobicContact CB-CG2 3.87Å; N143-T147 VanDerWaalsContact O-CB 3.3Å; N143-T147 WeakPolarHBondContact O-CB 3.27Å; N143-T147 PolarHBondContact O-N 3.12Å; N143-T147 PolarHBondContact O-OG1 3.48Å; N144-T147 PolarHBondContact O-N 3.28Å; N144-T147 VanDerWaalsContact O-N 3.14Å; A145-T147 VanDerWaalsContact C-N 3.35Å; T147-L149 VanDerWaalsContact C-N 3.33Å; T147-L149 PolarHBondContact O-N 3.48Å; T147-R150 PolarHBondContact O-N 3.46Å; T147-I151 HydrophobicContact CG2-CD1 3.79Å; T147-I151 HydrophobicContact CG2-CG1 4.42Å; T147-I151 WeakPolarHBondContact O-CB 3.17Å; T147-I151 WeakPolarHBondContact O-CD1 3.48Å; T147-I151 VanDerWaalsContact O-CG1 3.26Å; T147-I151 WeakPolarHBondContact O-CG1 3.26Å; T147-I151 PolarHBondContact O-N 3.46Å
148C91.8Very high88.2Confident0 Ų050.1 Ų50.10%028%0.275CS..Hα-helixtrans-57.6-45.2174.2-69.10000112H87 A89 L92 I116 N144 A145 R150 I151 L152H87-C148 VanDerWaalsContact C-SG 3.59Å; A89-C148 WeakPolarHBondContact CA-SG 3.49Å; A89-C148 PolarHBondContact N-SG 3.18Å; L92-C148 HydrophobicContact CD2-CB 3.6Å; I116-C148 HydrophobicContact CD1-CB 3.61Å; N144-C148 PolarHBondContact O-N 3.31Å; N144-C148 PolarHBondContact O-SG 3.44Å; A145-C148 PolarHBondContact O-N 3.29Å; C148-R150 PolarHBondContact O-N 3.28Å; C148-I151 PolarHBondContact O-N 3.23Å; C148-L152 PolarHBondContact O-N 2.98Å
149L91.8Very high88.7Confident0 Ų048 Ų480%026%0.264CS..Hα-helixtrans-60.9-46177.3-179.265.4000111.6L113 W120 A145 I146 T147 I151 L152 C153 V182 I185 L186L113-L149 HydrophobicContact CG-CD1 4.37Å; W120-L149 HydrophobicContact CZ3-CD2 4.45Å; A145-L149 PolarHBondContact O-N 3.43Å; I146-L149 PolarHBondContact O-N 3.31Å; T147-L149 VanDerWaalsContact C-N 3.33Å; T147-L149 PolarHBondContact O-N 3.48Å; L149-I151 VanDerWaalsContact C-N 3.33Å; L149-I151 PolarHBondContact O-N 3.05Å; L149-L152 PolarHBondContact O-N 3.03Å; L149-C153 PolarHBondContact O-N 3.15Å; L149-C153 PolarHBondContact O-SG 3.11Å; L149-C153 VanDerWaalsContact O-SG 3.38Å; L149-V182 HydrophobicContact CD2-CB 4.18Å; L149-V182 HydrophobicContact CD2-CG1 3.85Å; L149-V182 HydrophobicContact CD2-CG2 3.95Å; L149-I185 HydrophobicContact CD2-CB 4.05Å; L149-I185 HydrophobicContact CD2-CD1 4.09Å; L149-I185 HydrophobicContact CD2-CG2 3.8Å; L149-I185 HydrophobicContact CG-CG2 3.97Å; L149-L186 HydrophobicContact CD1-CD2 4.24Å
150R92.3Very high89.1Confident162 Ų16249.3 Ų49.361%0.61127%0.27SS*.Hα-helixtrans-62.7-40177.4-68.8-17879.9-122.21.2112I146 T147 C148 A154 I185I146-R150 WeakPolarHBondContact O-CG 3.43Å; I146-R150 PolarHBondContact O-N 3.05Å; T147-R150 PolarHBondContact O-N 3.46Å; C148-R150 PolarHBondContact O-N 3.28Å; R150-A154 WeakPolarHBondContact O-CB 3.4Å; R150-A154 PolarHBondContact O-N 3.26Å; R150-I185 HydrophobicContact CG-CD1 4.24Å; R150-I185 HydrophobicContact CG-CG2 4.21Å
151I92.9Very high88.9Confident23 Ų2346.7 Ų46.712%0.11826%0.258CS..Hα-helixtrans-62.1-48176.4-71.7162.8000110.5A89 L92 L93 L96 T147 C148 L149 A154 H155A89-I151 HydrophobicContact CB-CD1 4.17Å; L92-I151 HydrophobicContact CD2-CG2 4.41Å; L92-I151 HydrophobicContact CG-CG2 4.48Å; L93-I151 HydrophobicContact CB-CD1 4.17Å; L93-I151 HydrophobicContact CB-CG2 4.3Å; L93-I151 HydrophobicContact CD1-CG2 4.07Å; L96-I151 HydrophobicContact CD1-CG2 3.46Å; L96-I151 VanDerWaalsContact CD1-CG2 3.46Å; T147-I151 HydrophobicContact CG2-CD1 3.79Å; T147-I151 HydrophobicContact CG2-CG1 4.42Å; T147-I151 WeakPolarHBondContact O-CB 3.17Å; T147-I151 WeakPolarHBondContact O-CD1 3.48Å; T147-I151 VanDerWaalsContact O-CG1 3.26Å; T147-I151 WeakPolarHBondContact O-CG1 3.26Å; T147-I151 PolarHBondContact O-N 3.46Å; C148-I151 PolarHBondContact O-N 3.23Å; L149-I151 VanDerWaalsContact C-N 3.33Å; L149-I151 PolarHBondContact O-N 3.05Å; I151-A154 PolarHBondContact O-N 3.38Å; I151-H155 PolarHBondContact O-N 2.98Å; I151-H155 VanDerWaalsContact O-N 3.09Å; I151-H155 PolarHBondContact O-ND1 3.39Å
152L91.8Very high88.7Confident0 Ų047.6 Ų47.60%026%0.261CS..Hα-helixtrans-59.8-48178.1-76.8-177.9000112.1I80 L92 L96 P102 T112 L113 I116 C148 L149 A154 H155 G156 A157I80-L152 HydrophobicContact CD1-CD2 4.41Å; L92-L152 HydrophobicContact CD1-CD2 4.22Å; L92-L152 HydrophobicContact CD2-CD2 4.33Å; L92-L152 HydrophobicContact CD2-CG 4.1Å; L96-L152 HydrophobicContact CD1-CD2 4.22Å; P102-L152 HydrophobicContact CB-CD2 4.3Å; T112-L152 HydrophobicContact CG2-CD1 3.9Å; T112-L152 HydrophobicContact CG2-CD2 3.86Å; L113-L152 HydrophobicContact CB-CD1 4.25Å; I116-L152 HydrophobicContact CD1-CD1 3.35Å; I116-L152 HydrophobicContact CD1-CG 4.2Å; I116-L152 HydrophobicContact CG1-CD1 4.1Å; C148-L152 PolarHBondContact O-N 2.98Å; L149-L152 PolarHBondContact O-N 3.03Å; L152-A154 VanDerWaalsContact C-N 3.29Å; L152-A154 PolarHBondContact O-N 3.45Å; L152-H155 CarbonylContact O-C 3.46Å; L152-H155 PolarHBondContact O-N 3.31Å; L152-H155 VanDerWaalsContact O-N 3.11Å; L152-G156 PolarHBondContact O-N 3.08Å; L152-A157 HydrophobicContact CB-CB 3.97Å; L152-A157 VanDerWaalsContact O-CB 3.23Å; L152-A157 WeakPolarHBondContact O-CB 3.28Å; L152-A157 PolarHBondContact O-N 2.81Å; L152-A157 VanDerWaalsContact O-N 3.13Å
153C90.9Very high87.9Confident13 Ų1345.9 Ų45.99%0.08826%0.257CS..Hα-helixtrans-60.1-40.9178-68.90000111.6L149 H155 G156 N189L149-C153 PolarHBondContact O-N 3.15Å; L149-C153 PolarHBondContact O-SG 3.11Å; L149-C153 VanDerWaalsContact O-SG 3.38Å; C153-H155 PolarHBondContact O-N 2.8Å; C153-G156 PolarHBondContact O-N 3.12Å; C153-N189 HydrophobicContact CB-CB 4.17Å; C153-N189 WeakPolarHBondContact CB-OD1 3.34Å
154A91.3Very high86.8Confident80 Ų8048.6 Ų48.666%0.66127%0.267SS*.Hα-helixtrans-66.4-23.9177.300000113.8R150 I151 L152R150-A154 WeakPolarHBondContact O-CB 3.4Å; R150-A154 PolarHBondContact O-N 3.26Å; I151-A154 PolarHBondContact O-N 3.38Å; L152-A154 VanDerWaalsContact C-N 3.29Å; L152-A154 PolarHBondContact O-N 3.45Å
155H91.1Very high85.5Confident75 Ų7549.8 Ų49.835%0.34728%0.28SS..THydrogen-bonded Turntrans-99.923.1177.9-67.373.8000112.7L96 I151 L152 C153L96-H155 HydrophobicContact CD1-CB 4.02Å; L96-H155 HydrophobicContact CD2-CB 4.01Å; L96-H155 HydrophobicContact CG-CB 4.41Å; I151-H155 PolarHBondContact O-N 2.98Å; I151-H155 VanDerWaalsContact O-N 3.09Å; I151-H155 PolarHBondContact O-ND1 3.39Å; L152-H155 CarbonylContact O-C 3.46Å; L152-H155 PolarHBondContact O-N 3.31Å; L152-H155 VanDerWaalsContact O-N 3.11Å; C153-H155 PolarHBondContact O-N 2.8Å
156G85.4Confident84.4Confident48 Ų4853 Ų5350%0.49530%0.297SS..THydrogen-bonded Turntrans8517.3168.300000115.7L152 C153 Q158L152-G156 PolarHBondContact O-N 3.08Å; C153-G156 PolarHBondContact O-N 3.12Å; G156-Q158 PolarHBondContact O-N 2.9Å
157A88.9Confident83.8Confident9 Ų956.5 Ų56.57%0.07431%0.311CS..  trans-59.1133.7173.700000111.7P102 E103 L113 L152 V159P102-A157 HydrophobicContact CB-CB 4.12Å; E103-A157 WeakPolarHBondContact OE1-CA 3.37Å; L113-A157 HydrophobicContact CD1-CB 4.06Å; L152-A157 HydrophobicContact CB-CB 3.97Å; L152-A157 VanDerWaalsContact O-CB 3.23Å; L152-A157 WeakPolarHBondContact O-CB 3.28Å; L152-A157 PolarHBondContact O-N 2.81Å; L152-A157 VanDerWaalsContact O-N 3.13Å; A157-V159 PolarHBondContact O-N 2.88Å
158Q88.9Confident83.4Confident111 Ų11158.3 Ų58.352%0.51931%0.312SS..  trans-7496.8-177.7-67.1-67.8-16.900111E103 G156 N160 A161E103-Q158 VanDerWaalsContact CD-CG 3.48Å; E103-Q158 HydrophobicContact CG-CG 4.07Å; E103-Q158 PolarHBondContact OE1-N 2.63Å; E103-Q158 WeakPolarHBondContact OE2-CB 3.37Å; G156-Q158 PolarHBondContact O-N 2.9Å; Q158-N160 PolarHBondContact O-N 3.43Å; Q158-N160 VanDerWaalsContact O-N 3.12Å; Q158-A161 HydrophobicContact CB-CB 3.89Å; Q158-A161 WeakPolarHBondContact O-CB 3.37Å; Q158-A161 PolarHBondContact O-N 3.34Å
159V89.1Confident83.2Confident11 Ų1158.4 Ų58.47%0.06731%0.312CS..THydrogen-bonded Turntrans-67-11.5-179.3-620000114.4L113 A157 P170 L186 N189 A191L113-V159 HydrophobicContact CD1-CG1 4.24Å; A157-V159 PolarHBondContact O-N 2.88Å; V159-P170 WeakPolarHBondContact O-CD 3.33Å; V159-P170 WeakPolarHBondContact O-CG 3.19Å; V159-L186 HydrophobicContact CB-CD2 4.38Å; V159-L186 HydrophobicContact CG1-CD2 4.15Å; V159-N189 HydrophobicContact CG1-CB 4.05Å; V159-N189 WeakPolarHBondContact CG2-O 3.44Å; V159-A191 HydrophobicContact CB-CB 4.29Å; V159-A191 HydrophobicContact CG2-CB 4.2Å
160N87.3Confident83.1Confident68 Ų6858.5 Ų58.536%0.36431%0.313SS..THydrogen-bonded Turntrans-110.41.3179.5-68.3-40.4000113.6Q158 Q162 G190 A191 D192Q158-N160 PolarHBondContact O-N 3.43Å; Q158-N160 VanDerWaalsContact O-N 3.12Å; N160-Q162 PolarHBondContact O-N 2.92Å; N160-Q162 VanDerWaalsContact O-N 3.16Å; N160-G190 PolarHBondContact ND2-O 3.05Å; N160-A191 VanDerWaalsContact OD1-CA 3.29Å; N160-A191 WeakPolarHBondContact OD1-CA 3.47Å; N160-D192 PolarHBondContact OD1-N 3.13Å
161A81.1Confident83Confident22 Ų2250.9 Ų50.918%0.18228%0.284CS..PPolyproline II helixtrans-59121.1179.800000110.8Q158Q158-A161 HydrophobicContact CB-CB 3.89Å; Q158-A161 WeakPolarHBondContact O-CB 3.37Å; Q158-A161 PolarHBondContact O-N 3.34Å
162Q77.6Confident82.9Confident87 Ų8749.8 Ų49.841%0.40728%0.279SS..PPolyproline II helixtrans-85.9132.7175.4-67.3-173.5-9.300109.4N160N160-Q162 PolarHBondContact O-N 2.92Å; N160-Q162 VanDerWaalsContact O-N 3.16Å
163G67.6Low82.8Confident14 Ų1450.1 Ų50.114%0.14428%0.28CS..PPolyproline II helixtrans-69.5145.7172.600000111.3S165 K167G163-S165 VanDerWaalsContact C-N 3.28Å; G163-S165 PolarHBondContact O-N 3.35Å; G163-K167 PolarHBondContact O-N 2.84Å
164E63.3Low82.7Confident143 Ų14349.5 Ų49.567%0.66828%0.276SS*.THydrogen-bonded Turntrans-63-29.5-173-70.3176.6-170.500113.8R105R105-E164 IonicContact CZ-OE1 2.7Å; R105-E164 IonicContact NH1-OE1 3.9Å; R105-E164 PolarHBondContact NH1-OE1 3.48Å
165S62.1Low82.5Confident86 Ų8645.7 Ų45.760%0.60125%0.245SC*.THydrogen-bonded Turntrans-96.7-10.5-170.762.90000116.3G163G163-S165 VanDerWaalsContact C-N 3.28Å; G163-S165 PolarHBondContact O-N 3.35Å
166N66Low82.3Confident67 Ų6744.1 Ų44.136%0.35825%0.245SC..THydrogen-bonded Turntrans-1470.8-173.5-77.5-79.2000115R168 E198N166-R168 HydrophobicContact CB-CB 4.44Å; N166-R168 HydrophobicContact CB-CG 3.99Å; N166-R168 PolarHBondContact O-N 3.39Å; N166-E198 VanDerWaalsContact C-CG 3.5Å; N166-E198 WeakPolarHBondContact CA-OE1 3.19Å; N166-E198 PolarHBondContact N-OE1 3.43Å; N166-E198 WeakPolarHBondContact O-CG 3.38Å
167K78Confident82.2Confident114 Ų11446.1 Ų46.150%0.49624%0.238SC..  trans42.923.3-168.1-57.4-176.4179.4-178.90115.2G163 S169 E198G163-K167 PolarHBondContact O-N 2.84Å; K167-S169 PolarHBondContact O-N 3.27Å; K167-E198 HydrophobicContact CB-CG 3.9Å; K167-E198 HydrophobicContact CD-CG 4.07Å; K167-E198 HydrophobicContact CG-CG 3.8Å; K167-E198 PolarHBondContact N-OE1 3.15Å
168R82.5Confident81.7Confident92 Ų9247.2 Ų47.235%0.34725%0.25SC..  trans-76.7115.4-178.3-77.5177.9-175.7169.42.3109.1K114 N166 H172 L173 N197K114-R168 PolarHBondContact NZ-O 2.88Å; N166-R168 HydrophobicContact CB-CB 4.44Å; N166-R168 HydrophobicContact CB-CG 3.99Å; N166-R168 PolarHBondContact O-N 3.39Å; R168-H172 HydrophobicContact CB-CB 4.05Å; R168-H172 HydrophobicContact CG-CB 4.16Å; R168-L173 HydrophobicContact CB-CD2 4.46Å; R168-N197 HydrophobicContact CG-CB 4.24Å
169S88.1Confident81.4Confident2 Ų242 Ų421%0.01423%0.226CC..  trans-62.1161.916775.60000111.2K167 L171 H172 L173K167-S169 PolarHBondContact O-N 3.27Å; S169-L171 PolarHBondContact O-N 3.32Å; S169-H172 PolarHBondContact N-ND1 3.02Å; S169-H172 WeakPolarHBondContact O-CB 3.45Å; S169-H172 PolarHBondContact O-N 3.31Å; S169-H172 PolarHBondContact OG-ND1 3.22Å; S169-L173 PolarHBondContact O-N 2.95Å
170P88.3Confident81Confident2 Ų246 Ų461%0.01324%0.24CC..Hα-helixtrans-50.1-41.1171.3-36.443.9000114.4L113 L117 V159 H172 L173 A174 L186L113-P170 HydrophobicContact CD2-CB 3.56Å; L113-P170 HydrophobicContact CD2-CG 3.47Å; L113-P170 VanDerWaalsContact CD2-CG 3.47Å; L117-P170 HydrophobicContact CD1-CB 3.76Å; L117-P170 WeakPolarHBondContact CD1-O 3.43Å; V159-P170 WeakPolarHBondContact O-CD 3.33Å; V159-P170 WeakPolarHBondContact O-CG 3.19Å; P170-H172 VanDerWaalsContact C-N 3.32Å; P170-H172 PolarHBondContact O-N 3.02Å; P170-L173 PolarHBondContact O-N 3.08Å; P170-L173 VanDerWaalsContact O-N 3.13Å; P170-A174 PolarHBondContact O-N 2.87Å; P170-L186 HydrophobicContact CB-CD1 3.7Å; P170-L186 HydrophobicContact CB-CD2 4.19Å
171L91.3Very high80.8Confident2 Ų245.5 Ų45.51%0.0124%0.241CC..Hα-helixtrans-60.4-38.8175.6-76.9173.8000112.8S169 L173 A174 I175 L183 L186 A191 V193 P203S169-L171 PolarHBondContact O-N 3.32Å; L171-L173 VanDerWaalsContact C-N 3.31Å; L171-L173 PolarHBondContact O-N 3.44Å; L171-A174 PolarHBondContact O-N 3.13Å; L171-I175 WeakPolarHBondContact O-CG1 3.41Å; L171-I175 PolarHBondContact O-N 3.43Å; L171-L183 HydrophobicContact CD2-CD2 3.78Å; L171-L186 HydrophobicContact CD2-CB 3.82Å; L171-L186 HydrophobicContact CD2-CD1 4.02Å; L171-L186 HydrophobicContact CG-CB 4.3Å; L171-L186 HydrophobicContact CG-CD1 4.26Å; L171-A191 HydrophobicContact CD1-CB 3.65Å; L171-A191 HydrophobicContact CG-CB 3.91Å; L171-V193 HydrophobicContact CD1-CG2 4.32Å; L171-P203 HydrophobicContact CB-CG 4.03Å
172H90.9Very high81.1Confident0 Ų044.4 Ų44.40%023%0.232CC..Hα-helixtrans-63.8-36.1176-67.4101.1000112.5R168 S169 P170 A176 A195 M201 P203 M206R168-H172 HydrophobicContact CB-CB 4.05Å; R168-H172 HydrophobicContact CG-CB 4.16Å; S169-H172 PolarHBondContact N-ND1 3.02Å; S169-H172 WeakPolarHBondContact O-CB 3.45Å; S169-H172 PolarHBondContact O-N 3.31Å; S169-H172 PolarHBondContact OG-ND1 3.22Å; P170-H172 VanDerWaalsContact C-N 3.32Å; P170-H172 PolarHBondContact O-N 3.02Å; H172-A176 PolarHBondContact O-N 3.15Å; H172-A176 VanDerWaalsContact O-N 3.13Å; H172-A195 PolarHBondContact CE1-O 3.25Å; H172-A195 PolarHBondContact NE2-O 2.94Å; H172-M201 PolarHBondContact NE2-O 3.18Å; H172-P203 WeakPolarHBondContact NE2-CD 3.49Å; H172-M206 HydrophobicContact CB-SD 4.15Å; H172-M206 VanDerWaalsContact CD2-SD 3.54Å
173L88.3Confident81.6Confident6 Ų640.4 Ų40.43%0.03121%0.213CC..Hα-helixtrans-68.8-44.5174.3-69-167.3000112K114 L117 L118 R168 S169 P170 L171 I175 A176 Y177K114-L173 HydrophobicContact CD-CD1 3.3Å; K114-L173 HydrophobicContact CD-CG 4.12Å; K114-L173 HydrophobicContact CG-CD1 3.91Å; K114-L173 VanDerWaalsContact NZ-CD1 3.29Å; L117-L173 HydrophobicContact CB-CB 4.14Å; L117-L173 HydrophobicContact CB-CD1 3.7Å; L117-L173 HydrophobicContact CD1-CB 4.14Å; L117-L173 HydrophobicContact CD1-CD1 4.21Å; L118-L173 HydrophobicContact CD2-CD1 4.28Å; L118-L173 HydrophobicContact CG-CD1 4.34Å; R168-L173 HydrophobicContact CB-CD2 4.46Å; S169-L173 PolarHBondContact O-N 2.95Å; P170-L173 PolarHBondContact O-N 3.08Å; P170-L173 VanDerWaalsContact O-N 3.13Å; L171-L173 VanDerWaalsContact C-N 3.31Å; L171-L173 PolarHBondContact O-N 3.44Å; L173-I175 PolarHBondContact O-N 3.13Å; L173-A176 PolarHBondContact O-N 3.47Å; L173-Y177 HydrophobicContact CB-CD2 4.16Å; L173-Y177 HydrophobicContact CB-CE2 4.28Å; L173-Y177 HydrophobicContact CD2-CE2 4.18Å; L173-Y177 WeakPolarHBondContact O-CD2 3.45Å; L173-Y177 PolarHBondContact O-N 2.96Å
174A88.9Confident82.6Confident0 Ų041.3 Ų41.30%022%0.217CC..Hα-helixtrans-54.4-38.3-179.800000111.1P170 L171 G178 C179 V182 L183P170-A174 PolarHBondContact O-N 2.87Å; L171-A174 PolarHBondContact O-N 3.13Å; A174-G178 PolarHBondContact O-N 3.35Å; A174-C179 HydrophobicContact CB-CB 4.32Å; A174-C179 PolarHBondContact O-N 3.36Å; A174-V182 HydrophobicContact CB-CB 4.06Å; A174-V182 HydrophobicContact CB-CG1 3.59Å; A174-L183 HydrophobicContact CB-CD2 3.66Å; A174-L183 HydrophobicContact CB-CG 4.4Å
175I89Confident83.9Confident0 Ų035.2 Ų35.20%019%0.189CC..Hα-helixtrans-68.9-48174.2-65174.3000111.8L171 L173 Y177 G178 L183 P203 M206 A207 M210 M215 L219L171-I175 WeakPolarHBondContact O-CG1 3.41Å; L171-I175 PolarHBondContact O-N 3.43Å; L173-I175 PolarHBondContact O-N 3.13Å; I175-Y177 PolarHBondContact O-N 3.41Å; I175-G178 PolarHBondContact O-N 3.42Å; I175-L183 HydrophobicContact CG1-CD2 3.89Å; I175-P203 VanDerWaalsContact CD1-CA 3.5Å; I175-P203 HydrophobicContact CD1-CB 3.44Å; I175-P203 VanDerWaalsContact CD1-CB 3.44Å; I175-P203 WeakPolarHBondContact CD1-O 3.12Å; I175-M206 HydrophobicContact CG2-CB 3.86Å; I175-A207 HydrophobicContact CG2-CB 4.45Å; I175-M210 HydrophobicContact CG2-SD 3.83Å; I175-M215 HydrophobicContact CB-SD 4.19Å; I175-M215 HydrophobicContact CG1-SD 4.21Å; I175-M215 HydrophobicContact CG2-SD 3.85Å; I175-L219 HydrophobicContact CD1-CD1 3.61Å; I175-L219 HydrophobicContact CD1-CD2 4.36Å
176A86.6Confident85.3Confident43 Ų4331.1 Ų31.136%0.35516%0.16SC..Hα-helixtrans-57.9-33.1-179.800000112.9H172 L173 M206H172-A176 PolarHBondContact O-N 3.15Å; H172-A176 VanDerWaalsContact O-N 3.13Å; L173-A176 PolarHBondContact O-N 3.47Å; A176-M206 HydrophobicContact CB-CE 4.22Å
177Y82.3Confident86.4Confident90 Ų9029 Ų2935%0.35315%0.153SC..THydrogen-bonded Turntrans-97.80.7-178.6-68-67.8000115.1L117 L118 L173 I175 C179L117-Y177 WeakPolarHBondContact O-CD2 3.28Å; L118-Y177 HydrophobicContact CD2-CE2 3.85Å; L118-Y177 WeakPolarHBondContact CD2-OH 3.43Å; L173-Y177 HydrophobicContact CB-CD2 4.16Å; L173-Y177 HydrophobicContact CB-CE2 4.28Å; L173-Y177 HydrophobicContact CD2-CE2 4.18Å; L173-Y177 WeakPolarHBondContact O-CD2 3.45Å; L173-Y177 PolarHBondContact O-N 2.96Å; I175-Y177 PolarHBondContact O-N 3.41Å; Y177-C179 VanDerWaalsContact CB-SG 3.5Å
178G79.8Confident87Confident31 Ų3131.1 Ų31.132%0.3216%0.164SC..THydrogen-bonded Turntrans81.817.3177.100000115A174 I175 Y180 M215A174-G178 PolarHBondContact O-N 3.35Å; I175-G178 PolarHBondContact O-N 3.42Å; G178-Y180 VanDerWaalsContact O-CD2 3.3Å; G178-Y180 WeakPolarHBondContact O-CD2 3.41Å; G178-Y180 WeakPolarHBondContact O-CE2 3.48Å; G178-Y180 PolarHBondContact O-N 3.46Å; G178-M215 VanDerWaalsContact C-CE 3.43Å
179C81.5Confident87.4Confident1 Ų130.1 Ų30.11%0.00717%0.166CC..  trans-89.280.8-166.2-50.50000112.8W120 A174 Y177 V182W120-C179 HydrophobicContact CD2-CB 4.37Å; W120-C179 HydrophobicContact CG-CB 4.27Å; A174-C179 HydrophobicContact CB-CB 4.32Å; A174-C179 PolarHBondContact O-N 3.36Å; Y177-C179 VanDerWaalsContact CB-SG 3.5Å; C179-V182 HydrophobicContact CB-CB 3.83Å; C179-V182 HydrophobicContact CB-CG2 3.61Å; C179-V182 WeakPolarHBondContact O-CB 3.43Å; C179-V182 PolarHBondContact O-N 3.09Å
180Y80.8Confident87.4Confident96 Ų9632.4 Ų32.438%0.37619%0.19SC..Hα-helixtrans-58.6-47.8-178-50.7-85.7000115G178 V182 L183 N212 E214 M215G178-Y180 VanDerWaalsContact O-CD2 3.3Å; G178-Y180 WeakPolarHBondContact O-CD2 3.41Å; G178-Y180 WeakPolarHBondContact O-CE2 3.48Å; G178-Y180 PolarHBondContact O-N 3.46Å; Y180-V182 PolarHBondContact O-N 3.21Å; Y180-L183 PolarHBondContact O-N 3.32Å; Y180-N212 WeakPolarHBondContact CE1-OD1 3.35Å; Y180-N212 PolarHBondContact OH-ND2 3.48Å; Y180-E214 HydrophobicContact CD1-CB 4.01Å; Y180-E214 HydrophobicContact CE1-CB 3.66Å; Y180-M215 HydrophobicContact CD1-CE 4.38Å; Y180-M215 HydrophobicContact CD1-CG 3.81Å; Y180-M215 HydrophobicContact CE1-CE 4.13Å; Y180-M215 HydrophobicContact CE1-CG 3.59Å
181P82.9Confident87.7Confident57 Ų5732.8 Ų32.837%0.3719%0.193SC..Hα-helixtrans-65.5-25.1-177.5-2134.6000112.9I146 L183 S184 I185I146-P181 HydrophobicContact CD1-CB 4.1Å; I146-P181 HydrophobicContact CD1-CG 4.4Å; I146-P181 HydrophobicContact CG1-CB 4.41Å; P181-L183 VanDerWaalsContact C-N 3.33Å; P181-S184 PolarHBondContact O-OG 3.33Å; P181-I185 WeakPolarHBondContact O-CD1 3.46Å; P181-I185 VanDerWaalsContact O-CG1 3.3Å; P181-I185 WeakPolarHBondContact O-CG1 3.32Å; P181-I185 PolarHBondContact O-N 3.32Å
182V87Confident87.8Confident0 Ų036.4 Ų36.40%021%0.212CC..Hα-helixtrans-68.4-35.2179.31740000111.1L117 W120 L149 A174 C179 Y180 S184 I185 L186L117-V182 HydrophobicContact CD2-CB 4.47Å; L117-V182 HydrophobicContact CD2-CG1 3.48Å; L117-V182 VanDerWaalsContact CD2-CG1 3.48Å; L117-V182 HydrophobicContact CD2-CG2 4.2Å; W120-V182 HydrophobicContact CD2-CG2 3.91Å; W120-V182 HydrophobicContact CE3-CG2 3.72Å; W120-V182 HydrophobicContact CH2-CG2 3.28Å; W120-V182 HydrophobicContact CZ2-CG2 3.49Å; W120-V182 VanDerWaalsContact CZ2-CG2 3.49Å; W120-V182 HydrophobicContact CZ3-CG2 3.41Å; W120-V182 VanDerWaalsContact CZ3-CG2 3.41Å; L149-V182 HydrophobicContact CD2-CB 4.18Å; L149-V182 HydrophobicContact CD2-CG1 3.85Å; L149-V182 HydrophobicContact CD2-CG2 3.95Å; A174-V182 HydrophobicContact CB-CB 4.06Å; A174-V182 HydrophobicContact CB-CG1 3.59Å; C179-V182 HydrophobicContact CB-CB 3.83Å; C179-V182 HydrophobicContact CB-CG2 3.61Å; C179-V182 WeakPolarHBondContact O-CB 3.43Å; C179-V182 PolarHBondContact O-N 3.09Å; Y180-V182 PolarHBondContact O-N 3.21Å; V182-S184 PolarHBondContact O-N 2.94Å; V182-I185 PolarHBondContact O-N 3.27Å; V182-L186 HydrophobicContact CG1-CD1 3.53Å; V182-L186 HydrophobicContact CG1-CG 3.88Å; V182-L186 WeakPolarHBondContact O-CB 3.18Å; V182-L186 WeakPolarHBondContact O-CG 3.49Å; V182-L186 PolarHBondContact O-N 3.17Å
183L88.8Confident88Confident2 Ų237 Ų371%0.0122%0.216CC..Hα-helixtrans-60.7-46.5-178.2-63.5177.1000111.5L171 A174 I175 Y180 P181 A187 M215 M218 L219L171-L183 HydrophobicContact CD2-CD2 3.78Å; A174-L183 HydrophobicContact CB-CD2 3.66Å; A174-L183 HydrophobicContact CB-CG 4.4Å; I175-L183 HydrophobicContact CG1-CD2 3.89Å; Y180-L183 PolarHBondContact O-N 3.32Å; P181-L183 VanDerWaalsContact C-N 3.33Å; L183-A187 VanDerWaalsContact O-CB 3.27Å; L183-A187 WeakPolarHBondContact O-CB 3.5Å; L183-A187 PolarHBondContact O-N 2.87Å; L183-M215 HydrophobicContact CD1-CB 4.25Å; L183-M215 HydrophobicContact CD1-CG 3.99Å; L183-M218 HydrophobicContact CD1-CB 4.49Å; L183-L219 HydrophobicContact CD2-CD2 4.46Å
184S88.1Confident88.2Confident33 Ų3339.2 Ų39.223%0.23123%0.228CC..Hα-helixtrans-67.6-40.9178.655.40000112.1P181 V182 A187 Q188P181-S184 PolarHBondContact O-OG 3.33Å; V182-S184 PolarHBondContact O-N 2.94Å; S184-A187 PolarHBondContact O-N 3Å; S184-Q188 WeakPolarHBondContact O-CB 3.45Å; S184-Q188 WeakPolarHBondContact O-CG 3.35Å; S184-Q188 PolarHBondContact O-N 3.29Å
185I90.6Very high88.5Confident15 Ų1539.6 Ų39.68%0.07723%0.231CC..Hα-helixtrans-63.6-48.8178.6-64.8164.8000110.6I146 L149 R150 P181 V182 A187 Q188 N189I146-I185 HydrophobicContact CG2-CD1 3.83Å; L149-I185 HydrophobicContact CD2-CB 4.05Å; L149-I185 HydrophobicContact CD2-CD1 4.09Å; L149-I185 HydrophobicContact CD2-CG2 3.8Å; L149-I185 HydrophobicContact CG-CG2 3.97Å; R150-I185 HydrophobicContact CG-CD1 4.24Å; R150-I185 HydrophobicContact CG-CG2 4.21Å; P181-I185 WeakPolarHBondContact O-CD1 3.46Å; P181-I185 VanDerWaalsContact O-CG1 3.3Å; P181-I185 WeakPolarHBondContact O-CG1 3.32Å; P181-I185 PolarHBondContact O-N 3.32Å; V182-I185 PolarHBondContact O-N 3.27Å; I185-A187 PolarHBondContact O-N 3.36Å; I185-Q188 PolarHBondContact O-N 3.39Å; I185-N189 PolarHBondContact O-N 2.86Å; I185-N189 PolarHBondContact O-ND2 2.97Å
186L91.7Very high88.6Confident0 Ų043.5 Ų43.50%025%0.251CS..Hα-helixtrans-62.9-44.5179.3-71.2178000111.3L113 L117 L149 V159 P170 L171 V182 Q188 N189 G190 A191L113-L186 HydrophobicContact CD1-CD2 4.39Å; L117-L186 HydrophobicContact CD1-CD1 4.42Å; L149-L186 HydrophobicContact CD1-CD2 4.24Å; V159-L186 HydrophobicContact CB-CD2 4.38Å; V159-L186 HydrophobicContact CG1-CD2 4.15Å; P170-L186 HydrophobicContact CB-CD1 3.7Å; P170-L186 HydrophobicContact CB-CD2 4.19Å; L171-L186 HydrophobicContact CD2-CB 3.82Å; L171-L186 HydrophobicContact CD2-CD1 4.02Å; L171-L186 HydrophobicContact CG-CB 4.3Å; L171-L186 HydrophobicContact CG-CD1 4.26Å; V182-L186 HydrophobicContact CG1-CD1 3.53Å; V182-L186 HydrophobicContact CG1-CG 3.88Å; V182-L186 WeakPolarHBondContact O-CB 3.18Å; V182-L186 WeakPolarHBondContact O-CG 3.49Å; V182-L186 PolarHBondContact O-N 3.17Å; L186-Q188 PolarHBondContact O-N 3.09Å; L186-N189 CarbonylContact O-C 3.35Å; L186-N189 PolarHBondContact O-N 3.34Å; L186-N189 VanDerWaalsContact O-N 3.13Å; L186-G190 PolarHBondContact O-N 3.45Å; L186-A191 VanDerWaalsContact C-CB 3.49Å; L186-A191 HydrophobicContact CB-CB 3.91Å; L186-A191 WeakPolarHBondContact O-CB 3.39Å; L186-A191 PolarHBondContact O-N 2.71Å
187A89.7Confident88.8Confident24 Ų2442 Ų4220%0.19824%0.237CC..Hα-helixtrans-61.3-43.3178.200000112.4L183 S184 I185 N189 G190 V193 C222L183-A187 VanDerWaalsContact O-CB 3.27Å; L183-A187 WeakPolarHBondContact O-CB 3.5Å; L183-A187 PolarHBondContact O-N 2.87Å; S184-A187 PolarHBondContact O-N 3Å; I185-A187 PolarHBondContact O-N 3.36Å; A187-N189 PolarHBondContact O-N 3.28Å; A187-G190 PolarHBondContact O-N 3.32Å; A187-G190 VanDerWaalsContact O-N 3.11Å; A187-V193 HydrophobicContact CB-CG2 4.46Å; A187-C222 HydrophobicContact CB-CB 3.91Å; A187-C222 VanDerWaalsContact CB-SG 3.59Å
188Q89.9Confident89.2Confident158 Ų15842.5 Ų42.574%0.73824%0.242SC*.Hα-helixtrans-61.9-25.8175.9-75.5170.42.100113.3S184 I185 L186 G190S184-Q188 WeakPolarHBondContact O-CB 3.45Å; S184-Q188 WeakPolarHBondContact O-CG 3.35Å; S184-Q188 PolarHBondContact O-N 3.29Å; I185-Q188 PolarHBondContact O-N 3.39Å; L186-Q188 PolarHBondContact O-N 3.09Å; Q188-G190 VanDerWaalsContact C-N 3.35Å
189N90.8Very high89.7Confident71 Ų7143.3 Ų43.338%0.3825%0.246SC..THydrogen-bonded Turntrans-95.718.3178.3-71.7-86.2000112.9C153 V159 I185 L186 A187C153-N189 HydrophobicContact CB-CB 4.17Å; C153-N189 WeakPolarHBondContact CB-OD1 3.34Å; V159-N189 HydrophobicContact CG1-CB 4.05Å; V159-N189 WeakPolarHBondContact CG2-O 3.44Å; I185-N189 PolarHBondContact O-N 2.86Å; I185-N189 PolarHBondContact O-ND2 2.97Å; L186-N189 CarbonylContact O-C 3.35Å; L186-N189 PolarHBondContact O-N 3.34Å; L186-N189 VanDerWaalsContact O-N 3.13Å; A187-N189 PolarHBondContact O-N 3.28Å
190G89.3Confident90.2Very high50 Ų5044.5 Ų44.552%0.51526%0.255SS..THydrogen-bonded Turntrans85.421.8172.800000115N160 L186 A187 Q188 D192N160-G190 PolarHBondContact ND2-O 3.05Å; L186-G190 PolarHBondContact O-N 3.45Å; A187-G190 PolarHBondContact O-N 3.32Å; A187-G190 VanDerWaalsContact O-N 3.11Å; Q188-G190 VanDerWaalsContact C-N 3.35Å; G190-D192 PolarHBondContact O-N 3.13Å
191A92.9Very high90.8Very high9 Ų942.1 Ų42.17%0.07425%0.247CC..  trans-64.6134172.700000111.3V159 N160 L171 L186 V193V159-A191 HydrophobicContact CB-CB 4.29Å; V159-A191 HydrophobicContact CG2-CB 4.2Å; N160-A191 VanDerWaalsContact OD1-CA 3.29Å; N160-A191 WeakPolarHBondContact OD1-CA 3.47Å; L171-A191 HydrophobicContact CD1-CB 3.65Å; L171-A191 HydrophobicContact CG-CB 3.91Å; L186-A191 VanDerWaalsContact C-CB 3.49Å; L186-A191 HydrophobicContact CB-CB 3.91Å; L186-A191 WeakPolarHBondContact O-CB 3.39Å; L186-A191 PolarHBondContact O-N 2.71Å; A191-V193 PolarHBondContact O-N 3.15Å
192D93.8Very high91.4Very high79 Ų7939.6 Ų39.642%0.42223%0.231SC..  trans-71.9102.1175.4177.311.9000110N160 G190 N194 A195N160-D192 PolarHBondContact OD1-N 3.13Å; G190-D192 PolarHBondContact O-N 3.13Å; D192-N194 PolarHBondContact O-N 2.87Å; D192-N194 WeakPolarHBondContact OD1-CA 3.23Å; D192-N194 PolarHBondContact OD1-N 3.18Å; D192-A195 HydrophobicContact CB-CB 4.11Å; D192-A195 VanDerWaalsContact CG-N 3.33Å; D192-A195 VanDerWaalsContact O-CB 3.29Å; D192-A195 WeakPolarHBondContact O-CB 3.45Å; D192-A195 PolarHBondContact O-N 3.33Å; D192-A195 VanDerWaalsContact O-N 3.15Å; D192-A195 PolarHBondContact OD1-N 3.39Å; D192-A195 WeakPolarHBondContact OD2-CA 3.48Å; D192-A195 PolarHBondContact OD2-N 3.27Å
193V94.4Very high91.8Very high13 Ų1339.6 Ų39.68%0.07923%0.231CC..THydrogen-bonded Turntrans-64.3-20.2-179.8-172.90000112.2L171 A187 A191 P203 L219 C222 A224L171-V193 HydrophobicContact CD1-CG2 4.32Å; A187-V193 HydrophobicContact CB-CG2 4.46Å; A191-V193 PolarHBondContact O-N 3.15Å; V193-P203 WeakPolarHBondContact O-CD 3.42Å; V193-P203 WeakPolarHBondContact O-CG 3.35Å; V193-L219 HydrophobicContact CG1-CD2 4.09Å; V193-C222 HydrophobicContact CG1-CB 4.37Å; V193-C222 HydrophobicContact CG2-CB 3.97Å; V193-A224 HydrophobicContact CG1-CB 3.65Å
194N94.5Very high92.2Very high52 Ų5239.5 Ų39.528%0.27823%0.23SC..THydrogen-bonded Turntrans-10710.7179.6-63.9-58.2000113.1D192 N225D192-N194 PolarHBondContact O-N 2.87Å; D192-N194 WeakPolarHBondContact OD1-CA 3.23Å; D192-N194 PolarHBondContact OD1-N 3.18Å; N194-N225 PolarHBondContact OD1-N 3.44Å
195A93.3Very high92.6Very high8 Ų838 Ų387%0.06622%0.22CC..  trans-53.1145.7175.100000110.7H172 D192 T202 P203H172-A195 PolarHBondContact CE1-O 3.25Å; H172-A195 PolarHBondContact NE2-O 2.94Å; D192-A195 HydrophobicContact CB-CB 4.11Å; D192-A195 VanDerWaalsContact CG-N 3.33Å; D192-A195 VanDerWaalsContact O-CB 3.29Å; D192-A195 WeakPolarHBondContact O-CB 3.45Å; D192-A195 PolarHBondContact O-N 3.33Å; D192-A195 VanDerWaalsContact O-N 3.15Å; D192-A195 PolarHBondContact OD1-N 3.39Å; D192-A195 WeakPolarHBondContact OD2-CA 3.48Å; D192-A195 PolarHBondContact OD2-N 3.27Å; A195-T202 WeakPolarHBondContact O-CA 3.42Å; A195-P203 WeakPolarHBondContact O-CD 3.25Å
196I92.9Very high92.8Very high81 Ų8138.3 Ų38.342%0.41522%0.221SC..  trans-107.4142177.757.9172.5000111.1M201 T202I196-M201 WeakPolarHBondContact CA-O 3.44Å; I196-T202 HydrophobicContact CG2-CG2 4.01Å
197N90.8Very high93Very high11 Ų1138.3 Ų38.36%0.05922%0.221CC..  trans-89-175.8169.369.915.3000111.8R168 A199 S200 M201R168-N197 HydrophobicContact CG-CB 4.24Å; N197-A199 VanDerWaalsContact C-N 3.25Å; N197-A199 PolarHBondContact O-N 2.65Å; N197-A199 WeakPolarHBondContact OD1-CA 3.27Å; N197-A199 WeakPolarHBondContact OD1-CB 3.41Å; N197-A199 PolarHBondContact OD1-N 3.24Å; N197-S200 WeakPolarHBondContact O-CA 3.36Å; N197-S200 PolarHBondContact O-N 3.47Å; N197-S200 PolarHBondContact OD1-N 3.22Å; N197-M201 PolarHBondContact N-O 3.19Å; N197-M201 WeakPolarHBondContact OD1-CB 3.3Å; N197-M201 PolarHBondContact OD1-N 3.47Å; N197-M201 PolarHBondContact OD1-O 3.26Å
198E89.6Confident93.2Very high101 Ų10137.1 Ų37.147%0.47221%0.212SC..THydrogen-bonded Turntrans-57.4-33.5178.1-81.4176.1-171.800114.8N166 K167 S200N166-E198 VanDerWaalsContact C-CG 3.5Å; N166-E198 WeakPolarHBondContact CA-OE1 3.19Å; N166-E198 PolarHBondContact N-OE1 3.43Å; N166-E198 WeakPolarHBondContact O-CG 3.38Å; K167-E198 HydrophobicContact CB-CG 3.9Å; K167-E198 HydrophobicContact CD-CG 4.07Å; K167-E198 HydrophobicContact CG-CG 3.8Å; K167-E198 PolarHBondContact N-OE1 3.15Å; E198-S200 PolarHBondContact O-N 3.34Å
199A89.4Confident93.3Very high48 Ų4833.3 Ų33.340%0.39720%0.196SC..THydrogen-bonded Turntrans-77.37.9175.200000112.7N197 M201 V230N197-A199 VanDerWaalsContact C-N 3.25Å; N197-A199 PolarHBondContact O-N 2.65Å; N197-A199 WeakPolarHBondContact OD1-CA 3.27Å; N197-A199 WeakPolarHBondContact OD1-CB 3.41Å; N197-A199 PolarHBondContact OD1-N 3.24Å; A199-M201 HydrophobicContact CB-CE 3.95Å; A199-M201 HydrophobicContact CB-CG 4.04Å; A199-M201 PolarHBondContact O-N 2.67Å; A199-V230 VanDerWaalsContact O-CG1 3.26Å; A199-V230 WeakPolarHBondContact O-CG1 3.4Å
200S92.6Very high93.3Very high27 Ų2734 Ų3419%0.18920%0.198CC..SBendtrans57.926.1-172.9-53.10000113.4N197 E198N197-S200 WeakPolarHBondContact O-CA 3.36Å; N197-S200 PolarHBondContact O-N 3.47Å; N197-S200 PolarHBondContact OD1-N 3.22Å; E198-S200 PolarHBondContact O-N 3.34Å
201M94.7Very high93.5Very high45 Ų4532 Ų3222%0.22218%0.176CC..  trans-92.6138.4176.7-63.9-168.6-61.800109.7H172 I196 N197 A199 H205 M206 V230H172-M201 PolarHBondContact NE2-O 3.18Å; I196-M201 WeakPolarHBondContact CA-O 3.44Å; N197-M201 PolarHBondContact N-O 3.19Å; N197-M201 WeakPolarHBondContact OD1-CB 3.3Å; N197-M201 PolarHBondContact OD1-N 3.47Å; N197-M201 PolarHBondContact OD1-O 3.26Å; A199-M201 HydrophobicContact CB-CE 3.95Å; A199-M201 HydrophobicContact CB-CG 4.04Å; A199-M201 PolarHBondContact O-N 2.67Å; M201-H205 HydrophobicContact CB-CB 3.91Å; M201-H205 HydrophobicContact CG-CB 4.29Å; M201-M206 HydrophobicContact CB-CG 4.48Å; M201-M206 HydrophobicContact CE-CG 3.93Å; M201-V230 HydrophobicContact CG-CG1 4.48Å; M201-V230 HydrophobicContact CG-CG2 4.12Å
202T95.6Very high93.4Very high4 Ų432.6 Ų32.63%0.02518%0.177CC..  trans-82.5165.9167.270.70000110.9A195 I196 L204 H205 M206 C228A195-T202 WeakPolarHBondContact O-CA 3.42Å; I196-T202 HydrophobicContact CG2-CG2 4.01Å; T202-L204 PolarHBondContact O-N 3.15Å; T202-L204 PolarHBondContact OG1-N 2.95Å; T202-H205 PolarHBondContact N-ND1 3.42Å; T202-H205 WeakPolarHBondContact O-CB 3.13Å; T202-H205 PolarHBondContact O-N 3.29Å; T202-H205 PolarHBondContact OG1-N 3.16Å; T202-H205 PolarHBondContact OG1-ND1 2.84Å; T202-M206 PolarHBondContact O-N 3.14Å; T202-C228 HydrophobicContact CG2-CB 4.03Å
203P95.3Very high93.3Very high0 Ų032.1 Ų32.10%017%0.172CC..Hα-helixtrans-48.2-44.4170.2-33.138.2000112.8L171 H172 I175 V193 A195 H205 M206 A207 L219L171-P203 HydrophobicContact CB-CG 4.03Å; H172-P203 WeakPolarHBondContact NE2-CD 3.49Å; I175-P203 VanDerWaalsContact CD1-CA 3.5Å; I175-P203 HydrophobicContact CD1-CB 3.44Å; I175-P203 VanDerWaalsContact CD1-CB 3.44Å; I175-P203 WeakPolarHBondContact CD1-O 3.12Å; V193-P203 WeakPolarHBondContact O-CD 3.42Å; V193-P203 WeakPolarHBondContact O-CG 3.35Å; A195-P203 WeakPolarHBondContact O-CD 3.25Å; P203-H205 VanDerWaalsContact C-N 3.34Å; P203-H205 PolarHBondContact O-N 2.95Å; P203-M206 PolarHBondContact O-N 3.33Å; P203-M206 VanDerWaalsContact O-N 3.15Å; P203-A207 PolarHBondContact O-N 3.26Å; P203-L219 HydrophobicContact CB-CD1 4.14Å; P203-L219 HydrophobicContact CB-CD2 3.8Å
204L96.9Very high93.1Very high0 Ų036.3 Ų36.30%019%0.191CC..Hα-helixtrans-65-34.3179.8-173.962.1000113.1T202 A207 A208 M216 L219 I220 A224 V226 P237 L263T202-L204 PolarHBondContact O-N 3.15Å; T202-L204 PolarHBondContact OG1-N 2.95Å; L204-A207 PolarHBondContact O-N 3.44Å; L204-A208 VanDerWaalsContact O-CB 3.22Å; L204-A208 WeakPolarHBondContact O-CB 3.48Å; L204-A208 PolarHBondContact O-N 3.41Å; L204-M216 HydrophobicContact CD1-CB 4.16Å; L204-M216 HydrophobicContact CD1-CG 4.1Å; L204-L219 HydrophobicContact CD1-CB 4.34Å; L204-L219 HydrophobicContact CD1-CD1 4.44Å; L204-I220 HydrophobicContact CD1-CG1 4.19Å; L204-I220 HydrophobicContact CD2-CG1 4.41Å; L204-A224 HydrophobicContact CB-CB 4.18Å; L204-A224 HydrophobicContact CD2-CB 4.04Å; L204-V226 HydrophobicContact CD2-CB 4.34Å; L204-V226 HydrophobicContact CD2-CG1 4.07Å; L204-P237 HydrophobicContact CD2-CB 4.29Å; L204-P237 HydrophobicContact CD2-CG 4.03Å; L204-P237 HydrophobicContact CG-CB 4.07Å; L204-P237 HydrophobicContact CG-CG 4.08Å; L204-L263 HydrophobicContact CD1-CD2 4.38Å; L204-L263 HydrophobicContact CD2-CD2 4.24Å; L204-L263 HydrophobicContact CG-CD2 4.5Å
205H96.8Very high92.9Very high1 Ų133.9 Ų33.91%0.00518%0.177CC..Hα-helixtrans-62.7-42.8172.9-71.698.7000111.8M201 T202 P203 A208 N209 C228 V230 N235 P237 L240M201-H205 HydrophobicContact CB-CB 3.91Å; M201-H205 HydrophobicContact CG-CB 4.29Å; T202-H205 PolarHBondContact N-ND1 3.42Å; T202-H205 WeakPolarHBondContact O-CB 3.13Å; T202-H205 PolarHBondContact O-N 3.29Å; T202-H205 PolarHBondContact OG1-N 3.16Å; T202-H205 PolarHBondContact OG1-ND1 2.84Å; P203-H205 VanDerWaalsContact C-N 3.34Å; P203-H205 PolarHBondContact O-N 2.95Å; H205-A208 PolarHBondContact O-N 3.13Å; H205-N209 WeakPolarHBondContact O-CB 3.28Å; H205-N209 PolarHBondContact O-N 3.45Å; H205-C228 PolarHBondContact CE1-O 3.38Å; H205-C228 VanDerWaalsContact CE1-O 3.27Å; H205-C228 PolarHBondContact NE2-O 2.94Å; H205-C228 VanDerWaalsContact NE2-O 3.08Å; H205-V230 VanDerWaalsContact CD2-CG2 3.41Å; H205-V230 WeakPolarHBondContact CD2-CG2 3.39Å; H205-V230 WeakPolarHBondContact NE2-CG2 3.22Å; H205-N235 PolarHBondContact NE2-O 3.45Å; H205-P237 VanDerWaalsContact NE2-CD 3.35Å; H205-P237 WeakPolarHBondContact NE2-CD 3.36Å; H205-L240 HydrophobicContact CB-CD1 3.83Å
206M94.6Very high93Very high22 Ų2233.5 Ų33.511%0.10817%0.174CC..Hα-helixtrans-64.8-46177.8-72.7-17358.500111.6H172 I175 A176 M201 T202 P203 A208 N209 M210H172-M206 HydrophobicContact CB-SD 4.15Å; H172-M206 VanDerWaalsContact CD2-SD 3.54Å; I175-M206 HydrophobicContact CG2-CB 3.86Å; A176-M206 HydrophobicContact CB-CE 4.22Å; M201-M206 HydrophobicContact CB-CG 4.48Å; M201-M206 HydrophobicContact CE-CG 3.93Å; T202-M206 PolarHBondContact O-N 3.14Å; P203-M206 PolarHBondContact O-N 3.33Å; P203-M206 VanDerWaalsContact O-N 3.15Å; M206-A208 VanDerWaalsContact C-N 3.33Å; M206-A208 PolarHBondContact O-N 3.08Å; M206-N209 PolarHBondContact O-N 3.15Å; M206-M210 WeakPolarHBondContact O-CG 3.13Å; M206-M210 PolarHBondContact O-N 3.23Å
207A94.4Very high93.1Very high0 Ų033.1 Ų33.10%017%0.171CC..Hα-helixtrans-61.5-41.6177.600000112.1I175 P203 L204 M210 L211 N212 M215 M216 L219I175-A207 HydrophobicContact CG2-CB 4.45Å; P203-A207 PolarHBondContact O-N 3.26Å; L204-A207 PolarHBondContact O-N 3.44Å; A207-M210 PolarHBondContact O-N 2.94Å; A207-L211 PolarHBondContact O-N 2.9Å; A207-L211 VanDerWaalsContact O-N 3.08Å; A207-N212 PolarHBondContact O-N 2.89Å; A207-M215 HydrophobicContact CB-CB 3.93Å; A207-M216 HydrophobicContact CB-CG 3.69Å; A207-L219 HydrophobicContact CB-CD1 3.82Å
208A95Very high93.2Very high0 Ų035.8 Ų35.80%018%0.184CC..Hα-helixtrans-64-39.8174.400000112.7L204 H205 M206 M210 L211 M216 P237 A241 L263L204-A208 VanDerWaalsContact O-CB 3.22Å; L204-A208 WeakPolarHBondContact O-CB 3.48Å; L204-A208 PolarHBondContact O-N 3.41Å; H205-A208 PolarHBondContact O-N 3.13Å; M206-A208 VanDerWaalsContact C-N 3.33Å; M206-A208 PolarHBondContact O-N 3.08Å; A208-M210 VanDerWaalsContact C-N 3.29Å; A208-M210 PolarHBondContact O-N 3.27Å; A208-L211 WeakPolarHBondContact O-CD2 3.47Å; A208-L211 PolarHBondContact O-N 2.99Å; A208-M216 HydrophobicContact CB-CE 4.35Å; A208-M216 HydrophobicContact CB-SD 4.38Å; A208-P237 HydrophobicContact CB-CB 4.06Å; A208-P237 WeakPolarHBondContact CB-O 3.24Å; A208-A241 HydrophobicContact CB-CB 4.16Å; A208-L263 HydrophobicContact CB-CD1 4.47Å
209N92.6Very high93.4Very high77 Ų7731.1 Ų31.141%0.41216%0.162SC..Hα-helixtrans-66.3-32.4175.6-168.564.1000112H205 M206 L211 T244H205-N209 WeakPolarHBondContact O-CB 3.28Å; H205-N209 PolarHBondContact O-N 3.45Å; M206-N209 PolarHBondContact O-N 3.15Å; N209-L211 VanDerWaalsContact C-N 3.33Å; N209-T244 WeakPolarHBondContact O-CG2 3.34Å; N209-T244 WeakPolarHBondContact OD1-CG2 3.33Å
210M90.2Very high93.8Very high85 Ų8529.9 Ų29.942%0.41915%0.148SC..Hα-helixtrans-81.3-9.3175.4-66.8172.970.300113.8I175 M206 A207 A208 N212I175-M210 HydrophobicContact CG2-SD 3.83Å; M206-M210 WeakPolarHBondContact O-CG 3.13Å; M206-M210 PolarHBondContact O-N 3.23Å; A207-M210 PolarHBondContact O-N 2.94Å; A208-M210 VanDerWaalsContact C-N 3.29Å; A208-M210 PolarHBondContact O-N 3.27Å; M210-N212 HydrophobicContact CB-CB 4.43Å; M210-N212 PolarHBondContact O-N 3.06Å
211L92.6Very high93.8Very high9 Ų932.5 Ų32.55%0.04717%0.172CC..THydrogen-bonded Turntrans53.838.5-172.5-58.2175.8000113A207 A208 N209 A241 T244 A245 L253 C259A207-L211 PolarHBondContact O-N 2.9Å; A207-L211 VanDerWaalsContact O-N 3.08Å; A208-L211 WeakPolarHBondContact O-CD2 3.47Å; A208-L211 PolarHBondContact O-N 2.99Å; N209-L211 VanDerWaalsContact C-N 3.33Å; L211-A241 HydrophobicContact CD2-CB 4.12Å; L211-A241 WeakPolarHBondContact CD2-O 3.47Å; L211-T244 WeakPolarHBondContact CD2-OG1 3.2Å; L211-T244 WeakPolarHBondContact CG-OG1 3.19Å; L211-A245 HydrophobicContact CD1-CB 3.99Å; L211-A245 HydrophobicContact CD2-CB 4.21Å; L211-L253 HydrophobicContact CD1-CD1 4.37Å; L211-C259 VanDerWaalsContact C-SG 3.51Å; L211-C259 HydrophobicContact CD2-CB 4.37Å; L211-C259 PolarHBondContact O-SG 2.8Å; L211-C259 VanDerWaalsContact O-SG 3.36Å
212N90.8Very high93.7Very high21 Ų2132.4 Ų32.411%0.11218%0.175CC..  trans-95.4100.7178.2-172.4-39.1000110.1Y180 A207 M210 E214 M215 M216Y180-N212 WeakPolarHBondContact CE1-OD1 3.35Å; Y180-N212 PolarHBondContact OH-ND2 3.48Å; A207-N212 PolarHBondContact O-N 2.89Å; M210-N212 HydrophobicContact CB-CB 4.43Å; M210-N212 PolarHBondContact O-N 3.06Å; N212-E214 PolarHBondContact OD1-N 3.21Å; N212-E214 PolarHBondContact OD1-OE2 3.5Å; N212-M215 HydrophobicContact CB-CB 4.2Å; N212-M215 HydrophobicContact CB-CG 4.28Å; N212-M215 HydrophobicContact CB-SD 4.2Å; N212-M215 PolarHBondContact OD1-N 3.1Å; N212-M216 WeakPolarHBondContact O-CG 3.42Å; N212-M216 PolarHBondContact O-N 2.95Å; N212-M216 VanDerWaalsContact O-N 3.16Å
213K91.6Very high93.6Very high69 Ų6934.7 Ų34.730%0.320%0.199SC..Hα-helixtrans-63.9-45-174.4-170.2-170.8178.8-116.80111.5M215 M216 E217 L262K213-M215 VanDerWaalsContact C-N 3.34Å; K213-M215 PolarHBondContact O-N 3.14Å; K213-M216 WeakPolarHBondContact O-CB 3.14Å; K213-M216 PolarHBondContact O-N 2.85Å; K213-M216 VanDerWaalsContact O-N 3.13Å; K213-E217 WeakPolarHBondContact CE-OE1 3.45Å; K213-E217 HydrophobicContact CG-CG 4.44Å; K213-E217 IonicContact NZ-OE1 3.92Å; K213-E217 PolarHBondContact NZ-OE1 2.78Å; K213-E217 IonicContact NZ-OE2 2.89Å; K213-E217 WeakPolarHBondContact O-CG 3.29Å; K213-E217 PolarHBondContact O-N 3.06Å; K213-L262 HydrophobicContact CG-CD2 4.26Å
214E90.6Very high93.7Very high102 Ų10235 Ų3548%0.47720%0.202SC..Hα-helixtrans-63.3-40.9-176.2-6475.8-165.500111.1Y180 N212 E217 M218Y180-E214 HydrophobicContact CD1-CB 4.01Å; Y180-E214 HydrophobicContact CE1-CB 3.66Å; N212-E214 PolarHBondContact OD1-N 3.21Å; N212-E214 PolarHBondContact OD1-OE2 3.5Å; E214-E217 PolarHBondContact O-N 3.35Å; E214-M218 WeakPolarHBondContact O-CG 3.5Å; E214-M218 PolarHBondContact O-N 3.48Å; E214-M218 VanDerWaalsContact O-N 3.08Å
215M91.4Very high93.6Very high0 Ų038.7 Ų38.70%022%0.222CC..Hα-helixtrans-64.3-41.5173.4-72.4-175.4169.900112.4I175 G178 Y180 L183 A207 N212 K213 M218 L219I175-M215 HydrophobicContact CB-SD 4.19Å; I175-M215 HydrophobicContact CG1-SD 4.21Å; I175-M215 HydrophobicContact CG2-SD 3.85Å; G178-M215 VanDerWaalsContact C-CE 3.43Å; Y180-M215 HydrophobicContact CD1-CE 4.38Å; Y180-M215 HydrophobicContact CD1-CG 3.81Å; Y180-M215 HydrophobicContact CE1-CE 4.13Å; Y180-M215 HydrophobicContact CE1-CG 3.59Å; L183-M215 HydrophobicContact CD1-CB 4.25Å; L183-M215 HydrophobicContact CD1-CG 3.99Å; A207-M215 HydrophobicContact CB-CB 3.93Å; N212-M215 HydrophobicContact CB-CB 4.2Å; N212-M215 HydrophobicContact CB-CG 4.28Å; N212-M215 HydrophobicContact CB-SD 4.2Å; N212-M215 PolarHBondContact OD1-N 3.1Å; K213-M215 VanDerWaalsContact C-N 3.34Å; K213-M215 PolarHBondContact O-N 3.14Å; M215-M218 PolarHBondContact O-N 2.8Å; M215-L219 WeakPolarHBondContact O-CB 3.26Å; M215-L219 WeakPolarHBondContact O-CD1 3.19Å; M215-L219 WeakPolarHBondContact O-CG 3.32Å; M215-L219 PolarHBondContact O-N 3.25Å
216M95.1Very high93.7Very high0 Ų039.2 Ų39.20%023%0.225CC..Hα-helixtrans-63.9-44.1178.2-67.4167.96300111.2L204 A207 A208 N212 K213 M218 L219 I220 C259 L262 L263L204-M216 HydrophobicContact CD1-CB 4.16Å; L204-M216 HydrophobicContact CD1-CG 4.1Å; A207-M216 HydrophobicContact CB-CG 3.69Å; A208-M216 HydrophobicContact CB-CE 4.35Å; A208-M216 HydrophobicContact CB-SD 4.38Å; N212-M216 WeakPolarHBondContact O-CG 3.42Å; N212-M216 PolarHBondContact O-N 2.95Å; N212-M216 VanDerWaalsContact O-N 3.16Å; K213-M216 WeakPolarHBondContact O-CB 3.14Å; K213-M216 PolarHBondContact O-N 2.85Å; K213-M216 VanDerWaalsContact O-N 3.13Å; M216-M218 PolarHBondContact O-N 3.29Å; M216-L219 PolarHBondContact O-N 3.12Å; M216-I220 WeakPolarHBondContact O-CB 3.42Å; M216-I220 WeakPolarHBondContact O-CD1 3.35Å; M216-I220 WeakPolarHBondContact O-CG1 3.42Å; M216-I220 PolarHBondContact O-N 3.23Å; M216-C259 HydrophobicContact CE-CB 3.95Å; M216-C259 WeakPolarHBondContact CE-O 3.39Å; M216-C259 HydrophobicContact SD-CB 3.72Å; M216-L262 HydrophobicContact CB-CD2 3.65Å; M216-L262 HydrophobicContact CE-CD2 4.42Å; M216-L263 HydrophobicContact CE-CD1 3.46Å; M216-L263 VanDerWaalsContact CE-CD1 3.46Å; M216-L263 HydrophobicContact CE-CD2 3.75Å; M216-L263 HydrophobicContact CE-CG 3.34Å
217E94.3Very high93.8Very high73 Ų7340.2 Ų40.234%0.34123%0.231SC..Hα-helixtrans-58.2-47.8176.3-74.6179.7167.400111.1K213 E214 I220 A221 L262K213-E217 WeakPolarHBondContact CE-OE1 3.45Å; K213-E217 HydrophobicContact CG-CG 4.44Å; K213-E217 IonicContact NZ-OE1 3.92Å; K213-E217 PolarHBondContact NZ-OE1 2.78Å; K213-E217 IonicContact NZ-OE2 2.89Å; K213-E217 WeakPolarHBondContact O-CG 3.29Å; K213-E217 PolarHBondContact O-N 3.06Å; E214-E217 PolarHBondContact O-N 3.35Å; E217-I220 PolarHBondContact O-N 2.81Å; E217-A221 VanDerWaalsContact O-CB 3.32Å; E217-A221 WeakPolarHBondContact O-CB 3.34Å; E217-A221 PolarHBondContact O-N 3Å; E217-L262 HydrophobicContact CB-CD2 4.4Å; E217-L262 HydrophobicContact CG-CD1 3.67Å; E217-L262 HydrophobicContact CG-CD2 3.46Å; E217-L262 VanDerWaalsContact CG-CD2 3.46Å; E217-L262 HydrophobicContact CG-CG 4.21Å
218M93.1Very high93.9Very high68 Ų6841.5 Ų41.534%0.33524%0.24SC..Hα-helixtrans-63-44.6178.3-71.3-57.2-56.800112.6L183 E214 M215 M216 A221 C222L183-M218 HydrophobicContact CD1-CB 4.49Å; E214-M218 WeakPolarHBondContact O-CG 3.5Å; E214-M218 PolarHBondContact O-N 3.48Å; E214-M218 VanDerWaalsContact O-N 3.08Å; M215-M218 PolarHBondContact O-N 2.8Å; M216-M218 PolarHBondContact O-N 3.29Å; M218-A221 PolarHBondContact O-N 3.2Å; M218-C222 WeakPolarHBondContact O-CB 3.38Å; M218-C222 PolarHBondContact O-N 3.02Å; M218-C222 PolarHBondContact O-SG 3.16Å
219L94.9Very high93.9Very high3 Ų344.1 Ų44.12%0.01626%0.261CS..Hα-helixtrans-64.6-43178.9-71165.9000111.7I175 L183 V193 P203 L204 A207 M215 M216 A221 C222 G223 A224I175-L219 HydrophobicContact CD1-CD1 3.61Å; I175-L219 HydrophobicContact CD1-CD2 4.36Å; L183-L219 HydrophobicContact CD2-CD2 4.46Å; V193-L219 HydrophobicContact CG1-CD2 4.09Å; P203-L219 HydrophobicContact CB-CD1 4.14Å; P203-L219 HydrophobicContact CB-CD2 3.8Å; L204-L219 HydrophobicContact CD1-CB 4.34Å; L204-L219 HydrophobicContact CD1-CD1 4.44Å; A207-L219 HydrophobicContact CB-CD1 3.82Å; M215-L219 WeakPolarHBondContact O-CB 3.26Å; M215-L219 WeakPolarHBondContact O-CD1 3.19Å; M215-L219 WeakPolarHBondContact O-CG 3.32Å; M215-L219 PolarHBondContact O-N 3.25Å; M216-L219 PolarHBondContact O-N 3.12Å; L219-A221 VanDerWaalsContact C-N 3.34Å; L219-C222 CarbonylContact O-C 3.53Å; L219-C222 PolarHBondContact O-N 3.03Å; L219-C222 VanDerWaalsContact O-N 3.16Å; L219-G223 PolarHBondContact O-N 3.21Å; L219-A224 HydrophobicContact CB-CB 4.01Å; L219-A224 WeakPolarHBondContact O-CB 3.29Å; L219-A224 PolarHBondContact O-N 2.92Å
220I95.9Very high94.1Very high21 Ų2140.7 Ų40.711%0.10824%0.243CC..Hα-helixtrans-62.7-43.7176.1-68.1167.2000110.1L204 M216 E217 C222 G223 V226 L262 L263 H266L204-I220 HydrophobicContact CD1-CG1 4.19Å; L204-I220 HydrophobicContact CD2-CG1 4.41Å; M216-I220 WeakPolarHBondContact O-CB 3.42Å; M216-I220 WeakPolarHBondContact O-CD1 3.35Å; M216-I220 WeakPolarHBondContact O-CG1 3.42Å; M216-I220 PolarHBondContact O-N 3.23Å; E217-I220 PolarHBondContact O-N 2.81Å; I220-C222 PolarHBondContact O-N 3.26Å; I220-G223 PolarHBondContact O-N 2.95Å; I220-V226 HydrophobicContact CD1-CG1 4.19Å; I220-V226 HydrophobicContact CG1-CG1 3.99Å; I220-L262 HydrophobicContact CD1-CD2 4.1Å; I220-L262 HydrophobicContact CD1-CG 4.07Å; I220-L263 HydrophobicContact CD1-CD2 4.34Å; I220-H266 HydrophobicContact CD1-CB 4.38Å; I220-H266 HydrophobicContact CG2-CB 4.15Å
221A94Very high94.2Very high83 Ų8340 Ų4069%0.68625%0.246SC*.Hα-helixtrans-61.8-30.3175.200000112.7E217 M218 L219 G223E217-A221 VanDerWaalsContact O-CB 3.32Å; E217-A221 WeakPolarHBondContact O-CB 3.34Å; E217-A221 PolarHBondContact O-N 3Å; M218-A221 PolarHBondContact O-N 3.2Å; L219-A221 VanDerWaalsContact C-N 3.34Å; A221-G223 VanDerWaalsContact C-N 3.27Å; A221-G223 PolarHBondContact O-N 3.44Å
222C92.2Very high94.2Very high43 Ų4343.2 Ų43.229%0.29127%0.27SS..THydrogen-bonded Turntrans-82.95.8174.2-61.30000113.7A187 V193 M218 L219 I220A187-C222 HydrophobicContact CB-CB 3.91Å; A187-C222 VanDerWaalsContact CB-SG 3.59Å; V193-C222 HydrophobicContact CG1-CB 4.37Å; V193-C222 HydrophobicContact CG2-CB 3.97Å; M218-C222 WeakPolarHBondContact O-CB 3.38Å; M218-C222 PolarHBondContact O-N 3.02Å; M218-C222 PolarHBondContact O-SG 3.16Å; L219-C222 CarbonylContact O-C 3.53Å; L219-C222 PolarHBondContact O-N 3.03Å; L219-C222 VanDerWaalsContact O-N 3.16Å; I220-C222 PolarHBondContact O-N 3.26Å
223G93.7Very high94.4Very high51 Ų5144.9 Ų44.953%0.52628%0.28SS..THydrogen-bonded Turntrans89.623.1176.900000115.3L219 I220 A221 N225L219-G223 PolarHBondContact O-N 3.21Å; I220-G223 PolarHBondContact O-N 2.95Å; A221-G223 VanDerWaalsContact C-N 3.27Å; A221-G223 PolarHBondContact O-N 3.44Å; G223-N225 PolarHBondContact O-N 3.47Å
224A96.3Very high94.5Very high8 Ų841.9 Ų41.97%0.06627%0.269CS..  trans-60132.5171.500000111.3V193 L204 L219 V226V193-A224 HydrophobicContact CG1-CB 3.65Å; L204-A224 HydrophobicContact CB-CB 4.18Å; L204-A224 HydrophobicContact CD2-CB 4.04Å; L219-A224 HydrophobicContact CB-CB 4.01Å; L219-A224 WeakPolarHBondContact O-CB 3.29Å; L219-A224 PolarHBondContact O-N 2.92Å; A224-V226 PolarHBondContact O-N 2.94Å
225N96.6Very high94.8Very high76 Ų7638.4 Ų38.441%0.40625%0.254SS..  trans-77109.4174.5178-0.7000110.3N194 G223 N227 C228N194-N225 PolarHBondContact OD1-N 3.44Å; G223-N225 PolarHBondContact O-N 3.47Å; N225-N227 PolarHBondContact O-N 3.1Å; N225-N227 VanDerWaalsContact O-N 3.13Å; N225-N227 PolarHBondContact OD1-N 2.94Å; N225-C228 VanDerWaalsContact CB-SG 3.57Å; N225-C228 VanDerWaalsContact CG-SG 3.6Å; N225-C228 PolarHBondContact ND2-SG 3.5Å; N225-C228 VanDerWaalsContact ND2-SG 3.44Å; N225-C228 PolarHBondContact O-N 3.2Å
226V97.6Very high95.1Very high12 Ų1239 Ų397%0.07326%0.257CS..THydrogen-bonded Turntrans-64.5-14.2-179.1-60.20000114.6L204 I220 A224 P237 L263 H266L204-V226 HydrophobicContact CD2-CB 4.34Å; L204-V226 HydrophobicContact CD2-CG1 4.07Å; I220-V226 HydrophobicContact CD1-CG1 4.19Å; I220-V226 HydrophobicContact CG1-CG1 3.99Å; A224-V226 PolarHBondContact O-N 2.94Å; V226-P237 WeakPolarHBondContact O-CD 3.43Å; V226-L263 HydrophobicContact CG1-CD2 4.5Å; V226-H266 HydrophobicContact CG1-CB 4.19Å; V226-H266 WeakPolarHBondContact CG2-O 3.41Å
227N97.5Very high95.2Very high44 Ų4439 Ų3924%0.23526%0.257CS..THydrogen-bonded Turntrans-113.59.1-173.7-71.7-53.7000113.7N225 A229 G267 A268 K269N225-N227 PolarHBondContact O-N 3.1Å; N225-N227 VanDerWaalsContact O-N 3.13Å; N225-N227 PolarHBondContact OD1-N 2.94Å; N227-A229 PolarHBondContact O-N 2.94Å; N227-G267 PolarHBondContact ND2-O 3.49Å; N227-A268 WeakPolarHBondContact OD1-CA 3.43Å; N227-K269 WeakPolarHBondContact OD1-CG 3.37Å; N227-K269 PolarHBondContact OD1-N 2.79Å
228C96.1Very high95.4Very high27 Ų2735.6 Ų35.618%0.18224%0.242CC..  trans-56139.3171.9-78.10000110.2T202 H205 N225 P237T202-C228 HydrophobicContact CG2-CB 4.03Å; H205-C228 PolarHBondContact CE1-O 3.38Å; H205-C228 VanDerWaalsContact CE1-O 3.27Å; H205-C228 PolarHBondContact NE2-O 2.94Å; H205-C228 VanDerWaalsContact NE2-O 3.08Å; N225-C228 VanDerWaalsContact CB-SG 3.57Å; N225-C228 VanDerWaalsContact CG-SG 3.6Å; N225-C228 PolarHBondContact ND2-SG 3.5Å; N225-C228 VanDerWaalsContact ND2-SG 3.44Å; N225-C228 PolarHBondContact O-N 3.2Å; C228-P237 VanDerWaalsContact O-CD 3.29Å; C228-P237 WeakPolarHBondContact O-CD 3.27Å
229A95.5Very high95.6Very high54 Ų5432.6 Ų32.645%0.44623%0.227SC..  trans-106.4136174.100000109.2N227 S231 N235N227-A229 PolarHBondContact O-N 2.94Å; A229-S231 PolarHBondContact O-N 3.34Å; A229-N235 WeakPolarHBondContact CA-O 3.48Å
230V95.8Very high95.6Very high5 Ų533.6 Ų33.63%0.0323%0.232CC..  trans-65.3119.1172.8177.10000109.1A199 M201 H205 S232 T233 G234 N235A199-V230 VanDerWaalsContact O-CG1 3.26Å; A199-V230 WeakPolarHBondContact O-CG1 3.4Å; M201-V230 HydrophobicContact CG-CG1 4.48Å; M201-V230 HydrophobicContact CG-CG2 4.12Å; H205-V230 VanDerWaalsContact CD2-CG2 3.41Å; H205-V230 WeakPolarHBondContact CD2-CG2 3.39Å; H205-V230 WeakPolarHBondContact NE2-CG2 3.22Å; V230-S232 WeakPolarHBondContact CG1-OG 3.38Å; V230-S232 PolarHBondContact O-N 3.35Å; V230-T233 PolarHBondContact O-N 3.2Å; V230-T233 VanDerWaalsContact O-N 3.09Å; V230-G234 WeakPolarHBondContact O-CA 3.22Å; V230-G234 PolarHBondContact O-N 3.2Å; V230-N235 WeakPolarHBondContact CG2-O 3.45Å; V230-N235 PolarHBondContact N-O 2.89Å
231S92.5Very high95.6Very high70 Ų7032.6 Ų32.649%0.4923%0.227SC..THydrogen-bonded Turntrans-57.5-25.2-172.9-51.90000115.1A229 Y275A229-S231 PolarHBondContact O-N 3.34Å; S231-Y275 WeakPolarHBondContact O-CE2 3.32Å; S231-Y275 PolarHBondContact O-OH 2.76Å
232S92.1Very high95.7Very high78 Ų7828.6 Ų28.655%0.54519%0.194SC..THydrogen-bonded Turntrans-85.3-24.4-179.458.50000114.3V230V230-S232 WeakPolarHBondContact CG1-OG 3.38Å; V230-S232 PolarHBondContact O-N 3.35Å
233T94.6Very high95.7Very high55 Ų5529.3 Ų29.334%0.33720%0.199SC..THydrogen-bonded Turntrans-125.8-23.8-172.955.60000113.9V230 N235 D274 Y275V230-T233 PolarHBondContact O-N 3.2Å; V230-T233 VanDerWaalsContact O-N 3.09Å; T233-N235 WeakPolarHBondContact OG1-CB 3.39Å; T233-N235 PolarHBondContact OG1-N 3.08Å; T233-N235 PolarHBondContact OG1-ND2 3.27Å; T233-D274 WeakPolarHBondContact O-CB 3.37Å; T233-Y275 WeakPolarHBondContact O-CD2 3.29Å; T233-Y275 PolarHBondContact O-N 3.43Å
234G95.6Very high95.7Very high6 Ų628 Ų286%0.06218%0.181CC..  trans78.24.6-168.300000113.6V230V230-G234 WeakPolarHBondContact O-CA 3.22Å; V230-G234 PolarHBondContact O-N 3.2Å
235N96.3Very high95.4Very high29 Ų2927.7 Ų27.716%0.15518%0.178CC..  trans-69135.5-179.3-73.9-31.7000111.4H205 A229 V230 T233 K239 L240H205-N235 PolarHBondContact NE2-O 3.45Å; A229-N235 WeakPolarHBondContact CA-O 3.48Å; V230-N235 WeakPolarHBondContact CG2-O 3.45Å; V230-N235 PolarHBondContact N-O 2.89Å; T233-N235 WeakPolarHBondContact OG1-CB 3.39Å; T233-N235 PolarHBondContact OG1-N 3.08Å; T233-N235 PolarHBondContact OG1-ND2 3.27Å; N235-K239 HydrophobicContact CB-CG 4.35Å; N235-K239 WeakPolarHBondContact OD1-CG 3.36Å; N235-L240 HydrophobicContact CB-CD2 3.93Å; N235-L240 HydrophobicContact CB-CG 4.2Å
236T97.5Very high95Very high12 Ų1224.5 Ų24.57%0.07416%0.161CC..  trans-90.5166.3170.162.90000111.1L238 K239 L240 A272T236-L238 PolarHBondContact O-N 3.2Å; T236-K239 PolarHBondContact O-N 3.26Å; T236-K239 VanDerWaalsContact O-N 3.12Å; T236-K239 PolarHBondContact OG1-N 3.31Å; T236-L240 PolarHBondContact O-N 3.08Å; T236-A272 HydrophobicContact CG2-CB 3.82Å
237P97.6Very high94.5Very high0 Ų026.2 Ų26.20%017%0.174CC..Hα-helixtrans-55.5-37.8173-25.534.8000112.2L204 H205 A208 V226 C228 L240 A241 L263L204-P237 HydrophobicContact CD2-CB 4.29Å; L204-P237 HydrophobicContact CD2-CG 4.03Å; L204-P237 HydrophobicContact CG-CB 4.07Å; L204-P237 HydrophobicContact CG-CG 4.08Å; H205-P237 VanDerWaalsContact NE2-CD 3.35Å; H205-P237 WeakPolarHBondContact NE2-CD 3.36Å; A208-P237 HydrophobicContact CB-CB 4.06Å; A208-P237 WeakPolarHBondContact CB-O 3.24Å; V226-P237 WeakPolarHBondContact O-CD 3.43Å; C228-P237 VanDerWaalsContact O-CD 3.29Å; C228-P237 WeakPolarHBondContact O-CD 3.27Å; P237-L240 PolarHBondContact O-N 3.24Å; P237-A241 WeakPolarHBondContact O-CB 3.33Å; P237-A241 PolarHBondContact O-N 2.9Å; P237-L263 HydrophobicContact CB-CD1 4.23Å; P237-L263 HydrophobicContact CB-CD2 4.16Å
238L97.9Very high93.3Very high2 Ų233.1 Ų33.11%0.0120%0.202CC..Hα-helixtrans-60.8-48.2176.5178.966.9000111.8T236 L240 A241 V242 I260 L263 L264 A268 A280T236-L238 PolarHBondContact O-N 3.2Å; L238-L240 VanDerWaalsContact C-N 3.34Å; L238-L240 PolarHBondContact O-N 3.18Å; L238-A241 PolarHBondContact O-N 2.62Å; L238-V242 HydrophobicContact CD1-CG2 4.43Å; L238-V242 WeakPolarHBondContact O-CG2 3.3Å; L238-V242 PolarHBondContact O-N 3.23Å; L238-I260 HydrophobicContact CD1-CG2 3.85Å; L238-L263 HydrophobicContact CB-CD1 4.34Å; L238-L263 HydrophobicContact CD1-CB 4.23Å; L238-L263 HydrophobicContact CD1-CD1 4.47Å; L238-L264 HydrophobicContact CD1-CD2 4.01Å; L238-L264 HydrophobicContact CD1-CG 3.95Å; L238-L264 HydrophobicContact CD2-CD2 3.73Å; L238-A268 HydrophobicContact CB-CB 4.13Å; L238-A268 HydrophobicContact CD2-CB 4.15Å; L238-A280 HydrophobicContact CD2-CB 4.22Å; L238-A280 HydrophobicContact CG-CB 4.2Å
239K96.4Very high92.1Very high6 Ų635.1 Ų35.13%0.02622%0.22CC..Hα-helixtrans-61.7-42.2179.2178.672.9177.8-1610111.3N235 T236 V242 C243 D274 T279 E283N235-K239 HydrophobicContact CB-CG 4.35Å; N235-K239 WeakPolarHBondContact OD1-CG 3.36Å; T236-K239 PolarHBondContact O-N 3.26Å; T236-K239 VanDerWaalsContact O-N 3.12Å; T236-K239 PolarHBondContact OG1-N 3.31Å; K239-V242 PolarHBondContact O-N 3.13Å; K239-C243 WeakPolarHBondContact O-CB 3.09Å; K239-C243 PolarHBondContact O-N 3.45Å; K239-D274 IonicContact NZ-OD2 2.68Å; K239-T279 PolarHBondContact NZ-O 3.3Å; K239-E283 HydrophobicContact CD-CG 3.78Å; K239-E283 VanDerWaalsContact CE-OE1 3.27Å; K239-E283 WeakPolarHBondContact CE-OE1 3.49Å; K239-E283 IonicContact NZ-OE1 3.81Å; K239-E283 PolarHBondContact NZ-OE1 3.06Å
240L95.6Very high90.9Very high23 Ų2332.7 Ų32.712%0.1220%0.201CC..Hα-helixtrans-63.4-48175.9-66-176.6000111.9H205 N235 T236 P237 L238 V242 C243 T244H205-L240 HydrophobicContact CB-CD1 3.83Å; N235-L240 HydrophobicContact CB-CD2 3.93Å; N235-L240 HydrophobicContact CB-CG 4.2Å; T236-L240 PolarHBondContact O-N 3.08Å; P237-L240 PolarHBondContact O-N 3.24Å; L238-L240 VanDerWaalsContact C-N 3.34Å; L238-L240 PolarHBondContact O-N 3.18Å; L240-V242 VanDerWaalsContact C-N 3.29Å; L240-V242 PolarHBondContact O-N 3.11Å; L240-C243 PolarHBondContact O-N 3.43Å; L240-T244 WeakPolarHBondContact O-CG2 3.46Å; L240-T244 PolarHBondContact O-N 3.12Å; L240-T244 PolarHBondContact O-OG1 3.28Å; L240-T244 VanDerWaalsContact O-OG1 3.1Å
241A95.6Very high89.6Confident0 Ų037.5 Ų37.50%022%0.218CC..Hα-helixtrans-58.7-40.4176.800000112.2A208 L211 P237 L238 T244 A245 I260 L263A208-A241 HydrophobicContact CB-CB 4.16Å; L211-A241 HydrophobicContact CD2-CB 4.12Å; L211-A241 WeakPolarHBondContact CD2-O 3.47Å; P237-A241 WeakPolarHBondContact O-CB 3.33Å; P237-A241 PolarHBondContact O-N 2.9Å; L238-A241 PolarHBondContact O-N 2.62Å; A241-T244 PolarHBondContact O-OG1 3.37Å; A241-A245 WeakPolarHBondContact O-CB 3.4Å; A241-A245 PolarHBondContact O-N 3.21Å; A241-I260 HydrophobicContact CB-CG1 4.03Å; A241-L263 HydrophobicContact CB-CD1 4.07Å
242V95.8Very high88.1Confident0 Ų041.6 Ų41.60%023%0.234CC..Hα-helixtrans-67.7-43.1176.7171.60000111.6L238 K239 L240 S246 I260 A280 E283 A284 I292 L296L238-V242 HydrophobicContact CD1-CG2 4.43Å; L238-V242 WeakPolarHBondContact O-CG2 3.3Å; L238-V242 PolarHBondContact O-N 3.23Å; K239-V242 PolarHBondContact O-N 3.13Å; L240-V242 VanDerWaalsContact C-N 3.29Å; L240-V242 PolarHBondContact O-N 3.11Å; V242-S246 WeakPolarHBondContact O-CB 3.47Å; V242-S246 PolarHBondContact O-N 3.07Å; V242-S246 PolarHBondContact O-OG 2.76Å; V242-I260 HydrophobicContact CB-CD1 4.48Å; V242-I260 HydrophobicContact CG2-CD1 3.76Å; V242-I260 HydrophobicContact CG2-CG1 3.88Å; V242-I260 HydrophobicContact CG2-CG2 4.12Å; V242-A280 WeakPolarHBondContact CG1-O 3.49Å; V242-A280 HydrophobicContact CG2-CB 4.18Å; V242-E283 HydrophobicContact CG1-CB 3.91Å; V242-A284 HydrophobicContact CG1-CB 3.9Å; V242-I292 HydrophobicContact CG1-CG2 4.01Å; V242-I292 HydrophobicContact CG2-CG2 4.12Å; V242-L296 HydrophobicContact CG2-CD1 4.36Å; V242-L296 HydrophobicContact CG2-CD2 4.48Å
243C93.3Very high86.7Confident58 Ų5842.2 Ų42.239%0.39223%0.231SC..Hα-helixtrans-60.1-49.6178.1-178.60000111.2K239 L240 S246 S247 E283K239-C243 WeakPolarHBondContact O-CB 3.09Å; K239-C243 PolarHBondContact O-N 3.45Å; L240-C243 PolarHBondContact O-N 3.43Å; C243-S246 PolarHBondContact O-N 3.21Å; C243-S247 PolarHBondContact O-N 3.47Å; C243-S247 VanDerWaalsContact O-N 3.08Å; C243-E283 HydrophobicContact CB-CG 4.44Å
244T92.4Very high85.4Confident24 Ų2442.9 Ų42.915%0.14725%0.248CC..Hα-helixtrans-67.4-43.5-179.256.30000111.7N209 L211 L240 A241 S246 S247 G250N209-T244 WeakPolarHBondContact O-CG2 3.34Å; N209-T244 WeakPolarHBondContact OD1-CG2 3.33Å; L211-T244 WeakPolarHBondContact CD2-OG1 3.2Å; L211-T244 WeakPolarHBondContact CG-OG1 3.19Å; L240-T244 WeakPolarHBondContact O-CG2 3.46Å; L240-T244 PolarHBondContact O-N 3.12Å; L240-T244 PolarHBondContact O-OG1 3.28Å; L240-T244 VanDerWaalsContact O-OG1 3.1Å; A241-T244 PolarHBondContact O-OG1 3.37Å; T244-S246 VanDerWaalsContact C-N 3.3Å; T244-S246 PolarHBondContact O-N 2.85Å; T244-S247 WeakPolarHBondContact O-CB 3.36Å; T244-S247 PolarHBondContact O-N 3.4Å; T244-S247 PolarHBondContact O-OG 2.96Å; T244-G250 WeakPolarHBondContact O-CA 3.37Å
245A91.8Very high84.5Confident0 Ų044.5 Ų44.50%026%0.261CS..Hα-helixtrans-64.1-35.1175.900000112L211 A241 S247 G250 I260 R289 I292L211-A245 HydrophobicContact CD1-CB 3.99Å; L211-A245 HydrophobicContact CD2-CB 4.21Å; A241-A245 WeakPolarHBondContact O-CB 3.4Å; A241-A245 PolarHBondContact O-N 3.21Å; A245-S247 VanDerWaalsContact C-N 3.31Å; A245-S247 PolarHBondContact O-N 3.05Å; A245-G250 CarbonylContact O-C 3.55Å; A245-I260 HydrophobicContact CB-CD1 4.05Å; A245-R289 PolarHBondContact O-NE 3.37Å; A245-R289 PolarHBondContact O-NH1 3.17Å; A245-I292 HydrophobicContact CB-CD1 3.61Å
246S88.2Confident84Confident9 Ų943.1 Ų43.16%0.06325%0.253CS..Hα-helixtrans-74.6-21.7179.5-61.90000113.5V242 C243 T244 R251V242-S246 WeakPolarHBondContact O-CB 3.47Å; V242-S246 PolarHBondContact O-N 3.07Å; V242-S246 PolarHBondContact O-OG 2.76Å; C243-S246 PolarHBondContact O-N 3.21Å; T244-S246 VanDerWaalsContact C-N 3.3Å; T244-S246 PolarHBondContact O-N 2.85Å; S246-R251 PolarHBondContact O-NE 2.77Å; S246-R251 PolarHBondContact O-NH2 3.27Å
247S86.1Confident83.7Confident49 Ų4944.2 Ų44.234%0.34326%0.26SS..SBendtrans-63.6158.1174.383.60000112.6C243 T244 A245 A249 G250 R251C243-S247 PolarHBondContact O-N 3.47Å; C243-S247 VanDerWaalsContact O-N 3.08Å; T244-S247 WeakPolarHBondContact O-CB 3.36Å; T244-S247 PolarHBondContact O-N 3.4Å; T244-S247 PolarHBondContact O-OG 2.96Å; A245-S247 VanDerWaalsContact C-N 3.31Å; A245-S247 PolarHBondContact O-N 3.05Å; S247-A249 VanDerWaalsContact C-N 3.28Å; S247-A249 PolarHBondContact O-N 3.02Å; S247-G250 PolarHBondContact O-N 3.09Å; S247-G250 PolarHBondContact OG-N 2.8Å; S247-R251 VanDerWaalsContact O-CG 3.24Å; S247-R251 WeakPolarHBondContact O-CG 3.12Å; S247-R251 PolarHBondContact O-N 3Å
248K73.3Confident83.5Confident188 Ų18846.8 Ų46.882%0.81728%0.278SS*.Hα-helixtrans-57.4-40.1179.5-169176.3-179.1-178.30112.2R251K248-R251 PolarHBondContact O-N 3.04Å
249A71Confident83.4Confident69 Ų6946.7 Ų46.757%0.5728%0.278SS*.Hα-helixtrans-66.7-42.9177.600000112S247 R251 L252S247-A249 VanDerWaalsContact C-N 3.28Å; S247-A249 PolarHBondContact O-N 3.02Å; A249-R251 PolarHBondContact O-N 2.95Å; A249-L252 PolarHBondContact O-N 3.5Å
250G69.9Low83.4Confident3 Ų346.4 Ų46.43%0.03128%0.277CS..Hα-helixtrans-71-10.3178.800000115.2T244 A245 S247 R289T244-G250 WeakPolarHBondContact O-CA 3.37Å; A245-G250 CarbonylContact O-C 3.55Å; S247-G250 PolarHBondContact O-N 3.09Å; S247-G250 PolarHBondContact OG-N 2.8Å; G250-R289 PolarHBondContact O-NH1 2.87Å
251R67.3Low83.4Confident107 Ų10750.8 Ų50.840%0.40429%0.292SS..Hα-helixtrans-70.8-31.2171.2-51.5-158.8-171.6-169.6-1.3113.4S246 S247 K248 A249 L253 G287 R289S246-R251 PolarHBondContact O-NE 2.77Å; S246-R251 PolarHBondContact O-NH2 3.27Å; S247-R251 VanDerWaalsContact O-CG 3.24Å; S247-R251 WeakPolarHBondContact O-CG 3.12Å; S247-R251 PolarHBondContact O-N 3Å; K248-R251 PolarHBondContact O-N 3.04Å; A249-R251 PolarHBondContact O-N 2.95Å; R251-L253 VanDerWaalsContact C-N 3.3Å; R251-G287 PolarHBondContact NH2-O 3Å; R251-R289 VanDerWaalsContact CA-NH1 3.26Å
252L61.8Low83.5Confident155 Ų15551.5 Ų51.581%0.81230%0.295SS*.Hα-helixtrans-76.7-26.1178.8-60.1172.4000111.2A249 G254A249-L252 PolarHBondContact O-N 3.5Å; L252-G254 PolarHBondContact O-N 3.38Å
253L62.2Low83.6Confident92 Ų9251.5 Ų51.548%0.48230%0.295SS..  trans-85.788.7176.7-55.2176.1000109.1L211 R251 A255 G256L211-L253 HydrophobicContact CD1-CD1 4.37Å; R251-L253 VanDerWaalsContact C-N 3.3Å; L253-A255 PolarHBondContact O-N 3.48Å; L253-G256 PolarHBondContact O-N 3.02Å; L253-G256 VanDerWaalsContact O-N 3.15Å
254G67.5Low83.8Confident68 Ų6849.1 Ų49.170%0.70128%0.278SS*.THydrogen-bonded Turntrans-52.5-15.7175.900000114.6L252 G256L252-G254 PolarHBondContact O-N 3.38Å; G254-G256 VanDerWaalsContact C-N 3.26Å; G254-G256 PolarHBondContact O-N 3.34Å
255A76.8Confident84.1Confident40 Ų4052 Ų5233%0.33130%0.296SS..Hα-helixtrans-63.5-20.2176.200000115.2L253 V257 S258 C259L253-A255 PolarHBondContact O-N 3.48Å; A255-V257 PolarHBondContact O-N 2.89Å; A255-S258 PolarHBondContact O-N 3.46Å; A255-C259 PolarHBondContact O-N 3.49Å; A255-C259 PolarHBondContact O-SG 3.21Å
256G85.5Confident84.4Confident0 Ų056.8 Ų56.80%032%0.318CS..Hα-helixtrans-59.8-42.4-171.900000114.6L253 G254 C259 I260L253-G256 PolarHBondContact O-N 3.02Å; L253-G256 VanDerWaalsContact O-N 3.15Å; G254-G256 VanDerWaalsContact C-N 3.26Å; G254-G256 PolarHBondContact O-N 3.34Å; G256-C259 PolarHBondContact O-N 3.22Å; G256-I260 VanDerWaalsContact O-CD1 3.3Å; G256-I260 WeakPolarHBondContact O-CD1 3.33Å; G256-I260 VanDerWaalsContact O-CG1 3.23Å; G256-I260 WeakPolarHBondContact O-CG1 3.46Å; G256-I260 PolarHBondContact O-N 3.44Å; G256-I260 VanDerWaalsContact O-N 3.13Å
257V92.1Very high84.8Confident36 Ų3658.5 Ų58.522%0.21834%0.338CS..Hα-helixtrans-66.5-39.7179.5179.60000111.1A255 I260 R261 A291 I292 L295A255-V257 PolarHBondContact O-N 2.89Å; V257-I260 PolarHBondContact O-N 3.03Å; V257-R261 WeakPolarHBondContact O-CB 3.44Å; V257-R261 PolarHBondContact O-N 3.38Å; V257-A291 HydrophobicContact CG2-CB 4.06Å; V257-I292 HydrophobicContact CG2-CG1 4.33Å; V257-L295 HydrophobicContact CG1-CD2 3.93Å
258S93.6Very high85.3Confident54 Ų5456.7 Ų56.738%0.37833%0.325SS..Hα-helixtrans-65.4-39.7178.6-55.70000112.3A255 R261 L262A255-S258 PolarHBondContact O-N 3.46Å; S258-R261 PolarHBondContact O-N 3.23Å; S258-L262 WeakPolarHBondContact O-CB 3.28Å; S258-L262 PolarHBondContact O-N 3.25Å
259C94.9Very high86.5Confident0 Ų054.3 Ų54.30%032%0.315CS..Hα-helixtrans-65.5-43.4176-64.20000112.2L211 M216 A255 G256 L262 L263L211-C259 VanDerWaalsContact C-SG 3.51Å; L211-C259 HydrophobicContact CD2-CB 4.37Å; L211-C259 PolarHBondContact O-SG 2.8Å; L211-C259 VanDerWaalsContact O-SG 3.36Å; M216-C259 HydrophobicContact CE-CB 3.95Å; M216-C259 WeakPolarHBondContact CE-O 3.39Å; M216-C259 HydrophobicContact SD-CB 3.72Å; A255-C259 PolarHBondContact O-N 3.49Å; A255-C259 PolarHBondContact O-SG 3.21Å; G256-C259 PolarHBondContact O-N 3.22Å; C259-L262 WeakPolarHBondContact O-CB 3.27Å; C259-L262 PolarHBondContact O-N 3.22Å; C259-L263 PolarHBondContact O-N 3.19Å; C259-L263 VanDerWaalsContact O-N 3.15Å
260I96.6Very high87.7Confident0 Ų051.9 Ų51.90%029%0.293CS..Hα-helixtrans-63.4-44.7176.8-65.4160.3000110L238 A241 V242 A245 G256 V257 L262 L263 L264 I292 L295 L296L238-I260 HydrophobicContact CD1-CG2 3.85Å; A241-I260 HydrophobicContact CB-CG1 4.03Å; V242-I260 HydrophobicContact CB-CD1 4.48Å; V242-I260 HydrophobicContact CG2-CD1 3.76Å; V242-I260 HydrophobicContact CG2-CG1 3.88Å; V242-I260 HydrophobicContact CG2-CG2 4.12Å; A245-I260 HydrophobicContact CB-CD1 4.05Å; G256-I260 VanDerWaalsContact O-CD1 3.3Å; G256-I260 WeakPolarHBondContact O-CD1 3.33Å; G256-I260 VanDerWaalsContact O-CG1 3.23Å; G256-I260 WeakPolarHBondContact O-CG1 3.46Å; G256-I260 PolarHBondContact O-N 3.44Å; G256-I260 VanDerWaalsContact O-N 3.13Å; V257-I260 PolarHBondContact O-N 3.03Å; I260-L262 VanDerWaalsContact C-N 3.33Å; I260-L262 PolarHBondContact O-N 3.31Å; I260-L263 PolarHBondContact O-N 3.21Å; I260-L264 HydrophobicContact CG2-CD1 3.86Å; I260-L264 HydrophobicContact CG2-CG 4.49Å; I260-L264 WeakPolarHBondContact O-CG 3.38Å; I260-L264 PolarHBondContact O-N 3.02Å; I260-L264 VanDerWaalsContact O-N 3.07Å; I260-I292 HydrophobicContact CD1-CB 4.48Å; I260-I292 HydrophobicContact CD1-CD1 3.71Å; I260-I292 HydrophobicContact CD1-CG1 3.81Å; I260-I292 HydrophobicContact CD1-CG2 3.92Å; I260-L295 HydrophobicContact CB-CD2 3.93Å; I260-L295 HydrophobicContact CG2-CD2 3.62Å; I260-L295 HydrophobicContact CG2-CG 4.34Å; I260-L296 HydrophobicContact CG2-CD2 4.44Å
261R96.6Very high88.9Confident115 Ų11554.5 Ų54.543%0.43431%0.306SS..Hα-helixtrans-59.2-45.9177.4-177.4177.4-63.4-76.72.4111V257 S258 L263 L264 T265 L295V257-R261 WeakPolarHBondContact O-CB 3.44Å; V257-R261 PolarHBondContact O-N 3.38Å; S258-R261 PolarHBondContact O-N 3.23Å; R261-L263 PolarHBondContact O-N 3.31Å; R261-L264 PolarHBondContact O-N 3.15Å; R261-T265 HydrophobicContact CG-CG2 4.26Å; R261-T265 WeakPolarHBondContact O-CG2 3.46Å; R261-T265 PolarHBondContact O-N 3.19Å; R261-T265 PolarHBondContact O-OG1 3.19Å; R261-L295 HydrophobicContact CB-CD1 4.28Å; R261-L295 HydrophobicContact CB-CD2 3.96Å; R261-L295 HydrophobicContact CG-CD1 4.38Å; R261-L295 VanDerWaalsContact CZ-CD1 3.5Å
262L97.4Very high90.4Very high14 Ų1450.7 Ų50.77%0.07330%0.298CS..Hα-helixtrans-55.7-49.8178.218072.1000111.7K213 M216 E217 I220 S258 C259 I260 L264 T265 H266K213-L262 HydrophobicContact CG-CD2 4.26Å; M216-L262 HydrophobicContact CB-CD2 3.65Å; M216-L262 HydrophobicContact CE-CD2 4.42Å; E217-L262 HydrophobicContact CB-CD2 4.4Å; E217-L262 HydrophobicContact CG-CD1 3.67Å; E217-L262 HydrophobicContact CG-CD2 3.46Å; E217-L262 VanDerWaalsContact CG-CD2 3.46Å; E217-L262 HydrophobicContact CG-CG 4.21Å; I220-L262 HydrophobicContact CD1-CD2 4.1Å; I220-L262 HydrophobicContact CD1-CG 4.07Å; S258-L262 WeakPolarHBondContact O-CB 3.28Å; S258-L262 PolarHBondContact O-N 3.25Å; C259-L262 WeakPolarHBondContact O-CB 3.27Å; C259-L262 PolarHBondContact O-N 3.22Å; I260-L262 VanDerWaalsContact C-N 3.33Å; I260-L262 PolarHBondContact O-N 3.31Å; L262-L264 PolarHBondContact O-N 2.99Å; L262-T265 WeakPolarHBondContact CA-OG1 3.47Å; L262-T265 PolarHBondContact O-N 2.84Å; L262-T265 PolarHBondContact O-OG1 3.21Å; L262-H266 PolarHBondContact O-CD2 3.32Å; L262-H266 VanDerWaalsContact O-CD2 3.23Å; L262-H266 PolarHBondContact O-N 3.2Å; L262-H266 VanDerWaalsContact O-N 3.1Å
263L97.8Very high92Very high0 Ų048.1 Ų48.10%028%0.282CS..Hα-helixtrans-60.2-45.4178.5-71.8169.8000111.9L204 A208 M216 I220 V226 P237 L238 A241 C259 I260 R261 H266 G267 A268L204-L263 HydrophobicContact CD1-CD2 4.38Å; L204-L263 HydrophobicContact CD2-CD2 4.24Å; L204-L263 HydrophobicContact CG-CD2 4.5Å; A208-L263 HydrophobicContact CB-CD1 4.47Å; M216-L263 HydrophobicContact CE-CD1 3.46Å; M216-L263 VanDerWaalsContact CE-CD1 3.46Å; M216-L263 HydrophobicContact CE-CD2 3.75Å; M216-L263 HydrophobicContact CE-CG 3.34Å; I220-L263 HydrophobicContact CD1-CD2 4.34Å; V226-L263 HydrophobicContact CG1-CD2 4.5Å; P237-L263 HydrophobicContact CB-CD1 4.23Å; P237-L263 HydrophobicContact CB-CD2 4.16Å; L238-L263 HydrophobicContact CB-CD1 4.34Å; L238-L263 HydrophobicContact CD1-CB 4.23Å; L238-L263 HydrophobicContact CD1-CD1 4.47Å; A241-L263 HydrophobicContact CB-CD1 4.07Å; C259-L263 PolarHBondContact O-N 3.19Å; C259-L263 VanDerWaalsContact O-N 3.15Å; I260-L263 PolarHBondContact O-N 3.21Å; R261-L263 PolarHBondContact O-N 3.31Å; L263-H266 CarbonylContact O-C 3.51Å; L263-H266 PolarHBondContact O-N 3.17Å; L263-G267 PolarHBondContact O-N 3.36Å; L263-A268 HydrophobicContact CB-CB 3.94Å; L263-A268 WeakPolarHBondContact O-CB 3.42Å; L263-A268 PolarHBondContact O-N 2.69Å
264L97.8Very high93.7Very high8 Ų844.5 Ų44.54%0.04226%0.263CS..Hα-helixtrans-63.3-43.5179.3-69.3168.4000111.9L238 I260 R261 L262 H266 G267 V270 L295 L296 F299L238-L264 HydrophobicContact CD1-CD2 4.01Å; L238-L264 HydrophobicContact CD1-CG 3.95Å; L238-L264 HydrophobicContact CD2-CD2 3.73Å; I260-L264 HydrophobicContact CG2-CD1 3.86Å; I260-L264 HydrophobicContact CG2-CG 4.49Å; I260-L264 WeakPolarHBondContact O-CG 3.38Å; I260-L264 PolarHBondContact O-N 3.02Å; I260-L264 VanDerWaalsContact O-N 3.07Å; R261-L264 PolarHBondContact O-N 3.15Å; L262-L264 PolarHBondContact O-N 2.99Å; L264-H266 PolarHBondContact O-N 2.83Å; L264-G267 PolarHBondContact O-N 2.84Å; L264-G267 VanDerWaalsContact O-N 3.09Å; L264-V270 HydrophobicContact CD2-CB 4.03Å; L264-V270 HydrophobicContact CD2-CG2 4.02Å; L264-L295 HydrophobicContact CD1-CD1 4.29Å; L264-L295 HydrophobicContact CD1-CD2 4.35Å; L264-L295 HydrophobicContact CD1-CG 3.9Å; L264-L296 HydrophobicContact CD1-CD2 4.21Å; L264-F299 HydrophobicContact CB-CD1 3.66Å; L264-F299 HydrophobicContact CB-CD2 4.05Å; L264-F299 HydrophobicContact CB-CE1 3.64Å; L264-F299 HydrophobicContact CB-CE2 4.03Å; L264-F299 HydrophobicContact CB-CG 3.85Å; L264-F299 HydrophobicContact CB-CZ 3.82Å; L264-F299 HydrophobicContact CD1-CB 4.17Å; L264-F299 HydrophobicContact CD1-CD2 3.7Å; L264-F299 HydrophobicContact CD1-CE2 4.17Å; L264-F299 HydrophobicContact CD1-CG 3.91Å; L264-F299 HydrophobicContact CD2-CB 4.09Å; L264-F299 HydrophobicContact CD2-CD1 4.47Å; L264-F299 HydrophobicContact CD2-CG 4.25Å; L264-F299 HydrophobicContact CG-CD1 4.45Å; L264-F299 HydrophobicContact CG-CD2 4.4Å; L264-F299 HydrophobicContact CG-CG 4.22Å
265T97.4Very high95Very high84 Ų8446.7 Ų46.752%0.51525%0.251SS..Hα-helixtrans-64.7-25.5176.948.90000113.2R261 L262 G267 F299R261-T265 HydrophobicContact CG-CG2 4.26Å; R261-T265 WeakPolarHBondContact O-CG2 3.46Å; R261-T265 PolarHBondContact O-N 3.19Å; R261-T265 PolarHBondContact O-OG1 3.19Å; L262-T265 WeakPolarHBondContact CA-OG1 3.47Å; L262-T265 PolarHBondContact O-N 2.84Å; L262-T265 PolarHBondContact O-OG1 3.21Å; T265-G267 VanDerWaalsContact C-N 3.34Å; T265-F299 HydrophobicContact CG2-CE1 4.41Å; T265-F299 HydrophobicContact CG2-CZ 3.87Å
266H97.8Very high95.9Very high101 Ų10151.6 Ų51.647%0.46826%0.264SS..THydrogen-bonded Turntrans-94.117175.6-76-77.6000113.6I220 V226 L262 L263 L264I220-H266 HydrophobicContact CD1-CB 4.38Å; I220-H266 HydrophobicContact CG2-CB 4.15Å; V226-H266 HydrophobicContact CG1-CB 4.19Å; V226-H266 WeakPolarHBondContact CG2-O 3.41Å; L262-H266 PolarHBondContact O-CD2 3.32Å; L262-H266 VanDerWaalsContact O-CD2 3.23Å; L262-H266 PolarHBondContact O-N 3.2Å; L262-H266 VanDerWaalsContact O-N 3.1Å; L263-H266 CarbonylContact O-C 3.51Å; L263-H266 PolarHBondContact O-N 3.17Å; L264-H266 PolarHBondContact O-N 2.83Å
267G96.6Very high96.5Very high46 Ų4651.9 Ų51.947%0.47427%0.267SS..THydrogen-bonded Turntrans87.124.1170.600000115N227 L263 L264 T265 K269N227-G267 PolarHBondContact ND2-O 3.49Å; L263-G267 PolarHBondContact O-N 3.36Å; L264-G267 PolarHBondContact O-N 2.84Å; L264-G267 VanDerWaalsContact O-N 3.09Å; T265-G267 VanDerWaalsContact C-N 3.34Å; G267-K269 PolarHBondContact O-N 3.32Å
268A97.9Very high96.7Very high10 Ų1051.5 Ų51.58%0.08326%0.263CS..  trans-61.5129.4168.900000110.8N227 L238 L263 V270N227-A268 WeakPolarHBondContact OD1-CA 3.43Å; L238-A268 HydrophobicContact CB-CB 4.13Å; L238-A268 HydrophobicContact CD2-CB 4.15Å; L263-A268 HydrophobicContact CB-CB 3.94Å; L263-A268 WeakPolarHBondContact O-CB 3.42Å; L263-A268 PolarHBondContact O-N 2.69Å; A268-V270 PolarHBondContact O-N 3.15Å
269K97.4Very high96.9Very high139 Ų13948.9 Ų48.960%0.60425%0.245SC*.  trans-69.598.2178.7-70174.5-177.3-179.80109.9N227 G267 N271 A272N227-K269 WeakPolarHBondContact OD1-CG 3.37Å; N227-K269 PolarHBondContact OD1-N 2.79Å; G267-K269 PolarHBondContact O-N 3.32Å; K269-N271 PolarHBondContact O-N 3.31Å; K269-N271 VanDerWaalsContact O-N 3.13Å; K269-A272 HydrophobicContact CB-CB 4.03Å; K269-A272 WeakPolarHBondContact O-CB 3.17Å; K269-A272 PolarHBondContact O-N 3.43Å; K269-A272 VanDerWaalsContact O-N 3.08Å
270V96.6Very high97Very high17 Ų1749 Ų4910%0.10325%0.246CC..THydrogen-bonded Turntrans-54.1-34.1-177.873.10000113.6L264 A268 L296 F299 A301L264-V270 HydrophobicContact CD2-CB 4.03Å; L264-V270 HydrophobicContact CD2-CG2 4.02Å; A268-V270 PolarHBondContact O-N 3.15Å; V270-L296 HydrophobicContact CG2-CD2 3.88Å; V270-F299 WeakPolarHBondContact CG1-O 3.3Å; V270-A301 HydrophobicContact CG2-CB 3.68Å
271N96.1Very high97Very high59 Ų5949 Ų4932%0.31625%0.246SC..THydrogen-bonded Turntrans-100.313.5-175.6-68.6-41.1000113.3K269 Q273 T279 E300 N302 I305K269-N271 PolarHBondContact O-N 3.31Å; K269-N271 VanDerWaalsContact O-N 3.13Å; N271-Q273 PolarHBondContact O-N 3.24Å; N271-T279 WeakPolarHBondContact O-CG2 3.35Å; N271-E300 PolarHBondContact ND2-O 2.94Å; N271-E300 VanDerWaalsContact ND2-O 3.16Å; N271-N302 PolarHBondContact OD1-N 2.87Å; N271-I305 HydrophobicContact CB-CD1 3.73Å
272A97.3Very high97Very high27 Ų2743.5 Ų43.522%0.22323%0.225CC..  trans-61.9130.4175.200000111T236 K269 T279T236-A272 HydrophobicContact CG2-CB 3.82Å; K269-A272 HydrophobicContact CB-CB 4.03Å; K269-A272 WeakPolarHBondContact O-CB 3.17Å; K269-A272 PolarHBondContact O-N 3.43Å; K269-A272 VanDerWaalsContact O-N 3.08Å; A272-T279 WeakPolarHBondContact O-CA 3.43Å
273Q96.8Very high96.9Very high101 Ų10144.3 Ų44.347%0.47223%0.229SC..  trans-100.3136.5179.6-72.3-178.3-71.600110.9N271 G277 T279 I305 L306N271-Q273 PolarHBondContact O-N 3.24Å; Q273-G277 PolarHBondContact NE2-O 3.03Å; Q273-T279 HydrophobicContact CG-CG2 3.49Å; Q273-T279 VanDerWaalsContact CG-CG2 3.49Å; Q273-I305 HydrophobicContact CG-CG2 4.21Å; Q273-I305 VanDerWaalsContact NE2-CG2 3.31Å; Q273-L306 PolarHBondContact NE2-O 3.42Å; Q273-L306 VanDerWaalsContact NE2-O 3.12Å
274D96.4Very high96.7Very high16 Ų1644.3 Ų44.39%0.08623%0.229CC..  trans-76.4-177168.771.912.4000111.8T233 K239 K276 G277 Q278T233-D274 WeakPolarHBondContact O-CB 3.37Å; K239-D274 IonicContact NZ-OD2 2.68Å; D274-K276 PolarHBondContact O-N 3.42Å; D274-K276 VanDerWaalsContact O-N 3.15Å; D274-K276 VanDerWaalsContact OD1-CA 3.29Å; D274-K276 WeakPolarHBondContact OD1-CA 3.35Å; D274-K276 WeakPolarHBondContact OD1-CB 3.48Å; D274-K276 PolarHBondContact OD1-N 3.46Å; D274-G277 PolarHBondContact O-N 3.01Å; D274-G277 PolarHBondContact OD1-N 3.25Å; D274-Q278 PolarHBondContact N-O 3.49Å; D274-Q278 PolarHBondContact OD1-N 3.06Å
275Y96.4Very high96.6Very high114 Ų11443.9 Ų43.945%0.44723%0.227SC..THydrogen-bonded Turntrans-68.8-9.4179-59.5-30000114.5S231 T233 G277 R308S231-Y275 WeakPolarHBondContact O-CE2 3.32Å; S231-Y275 PolarHBondContact O-OH 2.76Å; T233-Y275 WeakPolarHBondContact O-CD2 3.29Å; T233-Y275 PolarHBondContact O-N 3.43Å; Y275-G277 VanDerWaalsContact C-N 3.35Å; Y275-R308 VanDerWaalsContact O-CD 3.28Å; Y275-R308 WeakPolarHBondContact O-CD 3.45Å; Y275-R308 PolarHBondContact O-NE 3.39Å; Y275-R308 PolarHBondContact O-NH1 3.26Å; Y275-R308 PolarHBondContact O-NH2 2.95Å
276K95.8Very high96.4Very high142 Ų14243.5 Ų43.562%0.61722%0.218SC*.THydrogen-bonded Turntrans-93.30.7169.9-62.5-179.7-178.6177.30111.7D274 Q278 T307 R308D274-K276 PolarHBondContact O-N 3.42Å; D274-K276 VanDerWaalsContact O-N 3.15Å; D274-K276 VanDerWaalsContact OD1-CA 3.29Å; D274-K276 WeakPolarHBondContact OD1-CA 3.35Å; D274-K276 WeakPolarHBondContact OD1-CB 3.48Å; D274-K276 PolarHBondContact OD1-N 3.46Å; K276-Q278 HydrophobicContact CB-CG 4.12Å; K276-T307 WeakPolarHBondContact O-CB 3.4Å; K276-R308 PolarHBondContact O-N 3.21Å
277G96.4Very high96.1Very high6 Ų639 Ų396%0.06220%0.198CC..SBendtrans75.811.2-173.400000113Q273 D274 Y275Q273-G277 PolarHBondContact NE2-O 3.03Å; D274-G277 PolarHBondContact O-N 3.01Å; D274-G277 PolarHBondContact OD1-N 3.25Å; Y275-G277 VanDerWaalsContact C-N 3.35Å
278Q96.9Very high95.8Very high28 Ų2837.4 Ų37.413%0.13118%0.183CC..  trans-87.3135-178.9-62.6177.6-28.600110.4D274 K276 H282 E283 T307D274-Q278 PolarHBondContact N-O 3.49Å; D274-Q278 PolarHBondContact OD1-N 3.06Å; K276-Q278 HydrophobicContact CB-CG 4.12Å; Q278-H282 HydrophobicContact CB-CB 4.25Å; Q278-E283 PolarHBondContact OE1-OE1 3.02Å; Q278-T307 HydrophobicContact CB-CG2 4.41Å; Q278-T307 HydrophobicContact CG-CG2 3.5Å; Q278-T307 VanDerWaalsContact CG-CG2 3.5Å
279T97.3Very high95.3Very high0 Ų038.5 Ų38.50%018%0.184CC..  trans-98.6177.5172.762.20000111.7K239 N271 A272 Q273 I281 H282 I305K239-T279 PolarHBondContact NZ-O 3.3Å; N271-T279 WeakPolarHBondContact O-CG2 3.35Å; A272-T279 WeakPolarHBondContact O-CA 3.43Å; Q273-T279 HydrophobicContact CG-CG2 3.49Å; Q273-T279 VanDerWaalsContact CG-CG2 3.49Å; T279-I281 VanDerWaalsContact C-N 3.28Å; T279-I281 PolarHBondContact O-N 3.39Å; T279-I281 WeakPolarHBondContact OG1-CG2 3.36Å; T279-H282 PolarHBondContact N-ND1 3.46Å; T279-H282 VanDerWaalsContact N-ND1 3.15Å; T279-H282 WeakPolarHBondContact O-CB 3.39Å; T279-H282 PolarHBondContact O-N 3.48Å; T279-H282 PolarHBondContact OG1-ND1 3Å; T279-I305 HydrophobicContact CG2-CB 4.46Å; T279-I305 HydrophobicContact CG2-CD1 3.86Å; T279-I305 HydrophobicContact CG2-CG2 3.89Å
280A97Very high95Very high2 Ų235.8 Ų35.82%0.01717%0.174CC..Hα-helixtrans-57.1-39.817400000112.6L238 V242 H282 E283 A284 L296L238-A280 HydrophobicContact CD2-CB 4.22Å; L238-A280 HydrophobicContact CG-CB 4.2Å; V242-A280 WeakPolarHBondContact CG1-O 3.49Å; V242-A280 HydrophobicContact CG2-CB 4.18Å; A280-H282 VanDerWaalsContact C-N 3.28Å; A280-H282 PolarHBondContact O-N 3Å; A280-E283 PolarHBondContact O-N 3.15Å; A280-A284 PolarHBondContact O-N 2.78Å; A280-A284 VanDerWaalsContact O-N 3.09Å; A280-L296 HydrophobicContact CB-CD1 4.19Å; A280-L296 HydrophobicContact CB-CD2 4.11Å
281I96.5Very high94.8Very high0 Ų037.6 Ų37.60%019%0.191CC..Hα-helixtrans-66.5-28-179-168157000113T279 E283 A284 C285 L296 L297 A301 V303 P313T279-I281 VanDerWaalsContact C-N 3.28Å; T279-I281 PolarHBondContact O-N 3.39Å; T279-I281 WeakPolarHBondContact OG1-CG2 3.36Å; I281-E283 PolarHBondContact O-N 3.15Å; I281-A284 PolarHBondContact O-N 2.77Å; I281-C285 VanDerWaalsContact O-CB 3.27Å; I281-C285 WeakPolarHBondContact O-CB 3.29Å; I281-C285 PolarHBondContact O-N 3.31Å; I281-C285 PolarHBondContact O-SG 2.8Å; I281-C285 VanDerWaalsContact O-SG 3.34Å; I281-L296 HydrophobicContact CB-CD1 4.23Å; I281-L297 HydrophobicContact CD1-CD2 3.84Å; I281-L297 HydrophobicContact CD1-CG 4.43Å; I281-A301 HydrophobicContact CB-CB 4.18Å; I281-A301 HydrophobicContact CD1-CB 3.66Å; I281-V303 HydrophobicContact CD1-CG1 3.58Å; I281-P313 HydrophobicContact CG1-CB 4.35Å; I281-P313 HydrophobicContact CG2-CB 4.34Å; I281-P313 HydrophobicContact CG2-CG 3.83Å
282H96.6Very high94.7Very high0 Ų034.8 Ų34.80%018%0.176CC..Hα-helixtrans-62.1-43.8173.9-7082.9000111.7Q278 T279 A280 F286 I305 T307 E311 M316Q278-H282 HydrophobicContact CB-CB 4.25Å; T279-H282 PolarHBondContact N-ND1 3.46Å; T279-H282 VanDerWaalsContact N-ND1 3.15Å; T279-H282 WeakPolarHBondContact O-CB 3.39Å; T279-H282 PolarHBondContact O-N 3.48Å; T279-H282 PolarHBondContact OG1-ND1 3Å; A280-H282 VanDerWaalsContact C-N 3.28Å; A280-H282 PolarHBondContact O-N 3Å; H282-F286 WeakPolarHBondContact O-CB 3.35Å; H282-F286 PolarHBondContact O-N 2.89Å; H282-I305 PolarHBondContact CE1-O 3.11Å; H282-I305 PolarHBondContact NE2-O 3.09Å; H282-T307 VanDerWaalsContact CD2-CG2 3.5Å; H282-T307 WeakPolarHBondContact CD2-CG2 3.38Å; H282-E311 PolarHBondContact NE2-O 3.38Å; H282-M316 HydrophobicContact CB-CG 4.24Å
283E95.2Very high94.5Very high30 Ų3033.6 Ų33.614%0.1417%0.165CC..Hα-helixtrans-69-41.6176.6-61.5-52.6143.700112K239 V242 C243 Q278 A280 I281 C285 F286 G287K239-E283 HydrophobicContact CD-CG 3.78Å; K239-E283 VanDerWaalsContact CE-OE1 3.27Å; K239-E283 WeakPolarHBondContact CE-OE1 3.49Å; K239-E283 IonicContact NZ-OE1 3.81Å; K239-E283 PolarHBondContact NZ-OE1 3.06Å; V242-E283 HydrophobicContact CG1-CB 3.91Å; C243-E283 HydrophobicContact CB-CG 4.44Å; Q278-E283 PolarHBondContact OE1-OE1 3.02Å; A280-E283 PolarHBondContact O-N 3.15Å; I281-E283 PolarHBondContact O-N 3.15Å; E283-C285 VanDerWaalsContact C-N 3.3Å; E283-C285 PolarHBondContact O-N 3.37Å; E283-F286 PolarHBondContact O-N 3.02Å; E283-G287 PolarHBondContact O-N 3.43Å
284A94.9Very high94.3Very high0 Ų030.1 Ų30.10%015%0.15CC..Hα-helixtrans-60.7-43.5178.300000111V242 A280 I281 G287 G288 I292 I293 L296V242-A284 HydrophobicContact CG1-CB 3.9Å; A280-A284 PolarHBondContact O-N 2.78Å; A280-A284 VanDerWaalsContact O-N 3.09Å; I281-A284 PolarHBondContact O-N 2.77Å; A284-G287 PolarHBondContact O-N 3.34Å; A284-G288 PolarHBondContact O-N 3.06Å; A284-I292 HydrophobicContact CB-CB 4.43Å; A284-I292 HydrophobicContact CB-CG2 3.73Å; A284-I293 HydrophobicContact CB-CG1 3.79Å; A284-L296 HydrophobicContact CB-CD1 3.63Å
285C95Very high94.2Very high0 Ų029.5 Ų29.50%015%0.147CC..Hα-helixtrans-64.3-46.8174.1-77.50000111.9I281 E283 G287 G288 P313 M316 Y317 N323I281-C285 VanDerWaalsContact O-CB 3.27Å; I281-C285 WeakPolarHBondContact O-CB 3.29Å; I281-C285 PolarHBondContact O-N 3.31Å; I281-C285 PolarHBondContact O-SG 2.8Å; I281-C285 VanDerWaalsContact O-SG 3.34Å; E283-C285 VanDerWaalsContact C-N 3.3Å; E283-C285 PolarHBondContact O-N 3.37Å; C285-G287 VanDerWaalsContact C-N 3.27Å; C285-G287 PolarHBondContact O-N 3Å; C285-G288 PolarHBondContact O-N 3.25Å; C285-G288 VanDerWaalsContact O-N 3.09Å; C285-P313 HydrophobicContact CB-CB 4.44Å; C285-P313 WeakPolarHBondContact CB-O 3.45Å; C285-M316 HydrophobicContact CB-CB 4.44Å; C285-Y317 WeakPolarHBondContact O-CA 3.25Å; C285-Y317 WeakPolarHBondContact O-CD2 3.21Å; C285-N323 PolarHBondContact O-ND2 3.3Å; C285-N323 VanDerWaalsContact O-ND2 3.13Å
286F94Very high94.1Very high75 Ų7524 Ų2433%0.32913%0.126SC..Hα-helixtrans-58.4-40.6176.1-175.4-101000112.1H282 E283 M316 Q319 R320 N323H282-F286 WeakPolarHBondContact O-CB 3.35Å; H282-F286 PolarHBondContact O-N 2.89Å; E283-F286 PolarHBondContact O-N 3.02Å; F286-M316 HydrophobicContact CB-CB 4.31Å; F286-M316 HydrophobicContact CB-CE 4.31Å; F286-M316 HydrophobicContact CD2-CE 4.04Å; F286-M316 HydrophobicContact CG-CE 4.4Å; F286-Q319 HydrophobicContact CD2-CB 4.31Å; F286-Q319 HydrophobicContact CE2-CB 4.29Å; F286-Q319 HydrophobicContact CE2-CG 4.09Å; F286-R320 HydrophobicContact CD2-CG 4.11Å; F286-R320 HydrophobicContact CE2-CG 3.88Å; F286-R320 HydrophobicContact CZ-CG 4.19Å; F286-N323 PolarHBondContact O-ND2 3.3Å
287G90.9Very high93.9Very high6 Ų619 Ų196%0.06211%0.105CC..Hα-helixtrans-73.4-25.2175.100000114.9R251 E283 A284 C285 R289R251-G287 PolarHBondContact NH2-O 3Å; E283-G287 PolarHBondContact O-N 3.43Å; A284-G287 PolarHBondContact O-N 3.34Å; C285-G287 VanDerWaalsContact C-N 3.27Å; C285-G287 PolarHBondContact O-N 3Å; G287-R289 VanDerWaalsContact C-N 3.35Å; G287-R289 PolarHBondContact O-N 3Å
288G90.3Very high93.6Very high14 Ų1424.3 Ų24.314%0.14413%0.132CC..THydrogen-bonded Turntrans64.931.9-178.500000114.3A284 C285 E290 N323A284-G288 PolarHBondContact O-N 3.06Å; C285-G288 PolarHBondContact O-N 3.25Å; C285-G288 VanDerWaalsContact O-N 3.09Å; G288-E290 PolarHBondContact O-N 3.24Å; G288-N323 WeakPolarHBondContact CA-OD1 3.4Å
289R87.9Confident93.4Very high32 Ų3226 Ų2612%0.12114%0.139CC..  trans-89.2101.3175.8-60.8-137.3-40.9-17114.8110.4A245 G250 R251 G287 A291 I292 I293A245-R289 PolarHBondContact O-NE 3.37Å; A245-R289 PolarHBondContact O-NH1 3.17Å; G250-R289 PolarHBondContact O-NH1 2.87Å; R251-R289 VanDerWaalsContact CA-NH1 3.26Å; G287-R289 VanDerWaalsContact C-N 3.35Å; G287-R289 PolarHBondContact O-N 3Å; R289-A291 VanDerWaalsContact C-N 3.29Å; R289-A291 PolarHBondContact O-N 3.42Å; R289-I292 HydrophobicContact CB-CB 4.28Å; R289-I292 HydrophobicContact CB-CD1 4.11Å; R289-I292 HydrophobicContact CB-CG1 4.15Å; R289-I292 HydrophobicContact CG-CD1 4.43Å; R289-I292 PolarHBondContact O-N 3.31Å; R289-I293 PolarHBondContact O-N 2.82Å
290E91.1Very high93Very high83 Ų8333.2 Ų33.239%0.38817%0.173SC..Hα-helixtrans-46.4-50178.6177.6173.3-167.400112.7G288 I292 I293 N294 L329 R332G288-E290 PolarHBondContact O-N 3.24Å; E290-I292 VanDerWaalsContact C-N 3.28Å; E290-I292 PolarHBondContact O-N 2.98Å; E290-I293 PolarHBondContact O-N 3.5Å; E290-N294 WeakPolarHBondContact CG-ND2 3.29Å; E290-N294 WeakPolarHBondContact O-CB 3.35Å; E290-N294 PolarHBondContact O-N 3.45Å; E290-N294 PolarHBondContact O-ND2 3.18Å; E290-N294 PolarHBondContact OE1-ND2 3.17Å; E290-L329 HydrophobicContact CB-CD1 4.19Å; E290-L329 HydrophobicContact CB-CD2 4.04Å; E290-L329 HydrophobicContact CG-CD1 4.11Å; E290-R332 IonicContact OE1-CZ 3.97Å; E290-R332 IonicContact OE1-NH1 2.74Å; E290-R332 PolarHBondContact OE1-NH1 3.38Å
291A91.9Very high92.8Very high55 Ų5533.5 Ų33.546%0.45518%0.175SC..Hα-helixtrans-60-35.1-177.400000113.7V257 R289 L295V257-A291 HydrophobicContact CG2-CB 4.06Å; R289-A291 VanDerWaalsContact C-N 3.29Å; R289-A291 PolarHBondContact O-N 3.42Å; A291-L295 VanDerWaalsContact O-CB 3.3Å; A291-L295 WeakPolarHBondContact O-CB 3.29Å; A291-L295 PolarHBondContact O-N 3.42Å
292I94.1Very high92.5Very high0 Ų036.7 Ų36.70%019%0.192CC..Hα-helixtrans-76.5-44176.8-62.6178.8000110.3V242 A245 V257 I260 A284 R289 E290 N294 L295 L296V242-I292 HydrophobicContact CG1-CG2 4.01Å; V242-I292 HydrophobicContact CG2-CG2 4.12Å; A245-I292 HydrophobicContact CB-CD1 3.61Å; V257-I292 HydrophobicContact CG2-CG1 4.33Å; I260-I292 HydrophobicContact CD1-CB 4.48Å; I260-I292 HydrophobicContact CD1-CD1 3.71Å; I260-I292 HydrophobicContact CD1-CG1 3.81Å; I260-I292 HydrophobicContact CD1-CG2 3.92Å; A284-I292 HydrophobicContact CB-CB 4.43Å; A284-I292 HydrophobicContact CB-CG2 3.73Å; R289-I292 HydrophobicContact CB-CB 4.28Å; R289-I292 HydrophobicContact CB-CD1 4.11Å; R289-I292 HydrophobicContact CB-CG1 4.15Å; R289-I292 HydrophobicContact CG-CD1 4.43Å; R289-I292 PolarHBondContact O-N 3.31Å; E290-I292 VanDerWaalsContact C-N 3.28Å; E290-I292 PolarHBondContact O-N 2.98Å; I292-N294 VanDerWaalsContact C-N 3.33Å; I292-N294 PolarHBondContact O-N 3.03Å; I292-L295 PolarHBondContact O-N 3.13Å; I292-L296 HydrophobicContact CG2-CD1 3.91Å; I292-L296 HydrophobicContact CG2-CG 4.23Å; I292-L296 WeakPolarHBondContact O-CG 3.37Å; I292-L296 PolarHBondContact O-N 3.14Å
293I94.1Very high92.2Very high1 Ų137 Ų371%0.00519%0.194CC..Hα-helixtrans-58.2-49.8179-68.4165.1000109.5A284 R289 E290 L295 L296 L297 L329 L333A284-I293 HydrophobicContact CB-CG1 3.79Å; R289-I293 PolarHBondContact O-N 2.82Å; E290-I293 PolarHBondContact O-N 3.5Å; I293-L295 VanDerWaalsContact C-N 3.33Å; I293-L295 PolarHBondContact O-N 3.13Å; I293-L296 PolarHBondContact O-N 2.84Å; I293-L296 VanDerWaalsContact O-N 3.15Å; I293-L297 HydrophobicContact CG2-CD1 3.94Å; I293-L297 HydrophobicContact CG2-CG 4.37Å; I293-L297 VanDerWaalsContact O-CG 3.28Å; I293-L297 WeakPolarHBondContact O-CG 3.46Å; I293-L297 PolarHBondContact O-N 2.99Å; I293-L329 HydrophobicContact CD1-CD1 4.2Å; I293-L329 HydrophobicContact CD1-CD2 3.94Å; I293-L329 HydrophobicContact CD1-CG 4.42Å; I293-L329 HydrophobicContact CG2-CD1 4.39Å; I293-L333 HydrophobicContact CD1-CD1 4.48Å; I293-L333 HydrophobicContact CG2-CD2 3.77Å
294N91.7Very high92Very high29 Ų2937.8 Ų37.816%0.15520%0.199CC..Hα-helixtrans-59.2-45.6178.3-66.1-12.9000111.4E290 I292 L296 L297 D298 R332E290-N294 WeakPolarHBondContact CG-ND2 3.29Å; E290-N294 WeakPolarHBondContact O-CB 3.35Å; E290-N294 PolarHBondContact O-N 3.45Å; E290-N294 PolarHBondContact O-ND2 3.18Å; E290-N294 PolarHBondContact OE1-ND2 3.17Å; I292-N294 VanDerWaalsContact C-N 3.33Å; I292-N294 PolarHBondContact O-N 3.03Å; N294-L296 VanDerWaalsContact C-N 3.32Å; N294-L296 PolarHBondContact O-N 3.25Å; N294-L297 PolarHBondContact O-N 3.27Å; N294-D298 PolarHBondContact O-N 3.43Å; N294-R332 PolarHBondContact ND2-NH1 3.3Å; N294-R332 PolarHBondContact ND2-NH2 3.02Å; N294-R332 VanDerWaalsContact OD1-CZ 3.22Å; N294-R332 PolarHBondContact OD1-NH1 2.9Å; N294-R332 PolarHBondContact OD1-NH2 3.45Å
295L94.4Very high91.8Very high2 Ų239 Ų391%0.0121%0.205CC..Hα-helixtrans-59.7-42.1176.417760.5000112.3V257 I260 R261 L264 A291 I292 I293 D298 F299V257-L295 HydrophobicContact CG1-CD2 3.93Å; I260-L295 HydrophobicContact CB-CD2 3.93Å; I260-L295 HydrophobicContact CG2-CD2 3.62Å; I260-L295 HydrophobicContact CG2-CG 4.34Å; R261-L295 HydrophobicContact CB-CD1 4.28Å; R261-L295 HydrophobicContact CB-CD2 3.96Å; R261-L295 HydrophobicContact CG-CD1 4.38Å; R261-L295 VanDerWaalsContact CZ-CD1 3.5Å; L264-L295 HydrophobicContact CD1-CD1 4.29Å; L264-L295 HydrophobicContact CD1-CD2 4.35Å; L264-L295 HydrophobicContact CD1-CG 3.9Å; A291-L295 VanDerWaalsContact O-CB 3.3Å; A291-L295 WeakPolarHBondContact O-CB 3.29Å; A291-L295 PolarHBondContact O-N 3.42Å; I292-L295 PolarHBondContact O-N 3.13Å; I293-L295 VanDerWaalsContact C-N 3.33Å; I293-L295 PolarHBondContact O-N 3.13Å; L295-D298 PolarHBondContact O-N 2.69Å; L295-F299 HydrophobicContact CD1-CD2 3.96Å; L295-F299 HydrophobicContact CD1-CE2 3.75Å; L295-F299 WeakPolarHBondContact O-CD2 3.4Å; L295-F299 PolarHBondContact O-N 3.41Å
296L95.1Very high91.8Very high0 Ų042.3 Ų42.30%022%0.223CC..Hα-helixtrans-67-39.4177.3-69.8172.9000111.4V242 I260 L264 V270 A280 I281 A284 I292 I293 N294 F299 E300 A301V242-L296 HydrophobicContact CG2-CD1 4.36Å; V242-L296 HydrophobicContact CG2-CD2 4.48Å; I260-L296 HydrophobicContact CG2-CD2 4.44Å; L264-L296 HydrophobicContact CD1-CD2 4.21Å; V270-L296 HydrophobicContact CG2-CD2 3.88Å; A280-L296 HydrophobicContact CB-CD1 4.19Å; A280-L296 HydrophobicContact CB-CD2 4.11Å; I281-L296 HydrophobicContact CB-CD1 4.23Å; A284-L296 HydrophobicContact CB-CD1 3.63Å; I292-L296 HydrophobicContact CG2-CD1 3.91Å; I292-L296 HydrophobicContact CG2-CG 4.23Å; I292-L296 WeakPolarHBondContact O-CG 3.37Å; I292-L296 PolarHBondContact O-N 3.14Å; I293-L296 PolarHBondContact O-N 2.84Å; I293-L296 VanDerWaalsContact O-N 3.15Å; N294-L296 VanDerWaalsContact C-N 3.32Å; N294-L296 PolarHBondContact O-N 3.25Å; L296-F299 CarbonylContact O-C 3.46Å; L296-F299 PolarHBondContact O-N 3.46Å; L296-E300 PolarHBondContact O-N 3.47Å; L296-A301 VanDerWaalsContact C-CB 3.5Å; L296-A301 HydrophobicContact CB-CB 3.8Å; L296-A301 WeakPolarHBondContact O-CB 3.16Å; L296-A301 PolarHBondContact O-N 3.43Å
297L90.8Very high92Very high36 Ų3639.2 Ų39.219%0.18821%0.21CC..Hα-helixtrans-64.4-39.1175.5-66.8174.3000112.2I281 I293 N294 F299 E300 V303I281-L297 HydrophobicContact CD1-CD2 3.84Å; I281-L297 HydrophobicContact CD1-CG 4.43Å; I293-L297 HydrophobicContact CG2-CD1 3.94Å; I293-L297 HydrophobicContact CG2-CG 4.37Å; I293-L297 VanDerWaalsContact O-CG 3.28Å; I293-L297 WeakPolarHBondContact O-CG 3.46Å; I293-L297 PolarHBondContact O-N 2.99Å; N294-L297 PolarHBondContact O-N 3.27Å; L297-F299 PolarHBondContact O-N 2.85Å; L297-E300 PolarHBondContact O-N 2.91Å; L297-V303 HydrophobicContact CD2-CG1 3.43Å; L297-V303 VanDerWaalsContact CD2-CG1 3.43Å
298D90.2Very high92.2Very high117 Ų11747.3 Ų47.363%0.62624%0.239SC*.Hα-helixtrans-60.3-24.9174.9-68.9-20000112.3N294 L295N294-D298 PolarHBondContact O-N 3.43Å; L295-D298 PolarHBondContact O-N 2.69Å
299F92.2Very high92.5Very high65 Ų6551.1 Ų51.129%0.28526%0.256SS..THydrogen-bonded Turntrans-103.727.2175-77.5-95.8000112.4L264 T265 V270 L295 L296 L297 A301L264-F299 HydrophobicContact CB-CD1 3.66Å; L264-F299 HydrophobicContact CB-CD2 4.05Å; L264-F299 HydrophobicContact CB-CE1 3.64Å; L264-F299 HydrophobicContact CB-CE2 4.03Å; L264-F299 HydrophobicContact CB-CG 3.85Å; L264-F299 HydrophobicContact CB-CZ 3.82Å; L264-F299 HydrophobicContact CD1-CB 4.17Å; L264-F299 HydrophobicContact CD1-CD2 3.7Å; L264-F299 HydrophobicContact CD1-CE2 4.17Å; L264-F299 HydrophobicContact CD1-CG 3.91Å; L264-F299 HydrophobicContact CD2-CB 4.09Å; L264-F299 HydrophobicContact CD2-CD1 4.47Å; L264-F299 HydrophobicContact CD2-CG 4.25Å; L264-F299 HydrophobicContact CG-CD1 4.45Å; L264-F299 HydrophobicContact CG-CD2 4.4Å; L264-F299 HydrophobicContact CG-CG 4.22Å; T265-F299 HydrophobicContact CG2-CE1 4.41Å; T265-F299 HydrophobicContact CG2-CZ 3.87Å; V270-F299 WeakPolarHBondContact CG1-O 3.3Å; L295-F299 HydrophobicContact CD1-CD2 3.96Å; L295-F299 HydrophobicContact CD1-CE2 3.75Å; L295-F299 WeakPolarHBondContact O-CD2 3.4Å; L295-F299 PolarHBondContact O-N 3.41Å; L296-F299 CarbonylContact O-C 3.46Å; L296-F299 PolarHBondContact O-N 3.46Å; L297-F299 PolarHBondContact O-N 2.85Å; F299-A301 PolarHBondContact O-N 3.06Å
300E89.8Confident92.8Very high150 Ų15049.6 Ų49.670%0.70125%0.25SS*.THydrogen-bonded Turntrans63.135.2171.6-54.5177.5-174.900114.4N271 L296 L297 N302N271-E300 PolarHBondContact ND2-O 2.94Å; N271-E300 VanDerWaalsContact ND2-O 3.16Å; L296-E300 PolarHBondContact O-N 3.47Å; L297-E300 PolarHBondContact O-N 2.91Å; E300-N302 PolarHBondContact O-N 3Å
301A92.7Very high93Very high8 Ų847 Ų477%0.06624%0.238CC..  trans-60.2126.5168.600000111.1V270 I281 L296 F299 V303V270-A301 HydrophobicContact CG2-CB 3.68Å; I281-A301 HydrophobicContact CB-CB 4.18Å; I281-A301 HydrophobicContact CD1-CB 3.66Å; L296-A301 VanDerWaalsContact C-CB 3.5Å; L296-A301 HydrophobicContact CB-CB 3.8Å; L296-A301 WeakPolarHBondContact O-CB 3.16Å; L296-A301 PolarHBondContact O-N 3.43Å; F299-A301 PolarHBondContact O-N 3.06Å; A301-V303 PolarHBondContact O-N 3Å
302N90.1Very high93.1Very high68 Ų6844.6 Ų44.636%0.36422%0.218SC..  trans-82.6109.3-179.8177.9-0.9000110.5N271 E300 N304 I305N271-N302 PolarHBondContact OD1-N 2.87Å; E300-N302 PolarHBondContact O-N 3Å; N302-N304 PolarHBondContact O-N 2.99Å; N302-N304 WeakPolarHBondContact OD1-CA 3.38Å; N302-N304 WeakPolarHBondContact OD1-CB 3.12Å; N302-N304 PolarHBondContact OD1-N 3.41Å; N302-I305 HydrophobicContact CB-CD1 3.69Å; N302-I305 HydrophobicContact CB-CG1 3.68Å; N302-I305 WeakPolarHBondContact ND2-CG1 3.35Å; N302-I305 PolarHBondContact O-N 3.32Å
303V90.5Very high93.2Very high7 Ų744.6 Ų44.64%0.04222%0.218CC..THydrogen-bonded Turntrans-72.1-3.8179.2-67.20000114.8I281 L297 A301 P313 H336I281-V303 HydrophobicContact CD1-CG1 3.58Å; L297-V303 HydrophobicContact CD2-CG1 3.43Å; L297-V303 VanDerWaalsContact CD2-CG1 3.43Å; A301-V303 PolarHBondContact O-N 3Å; V303-P313 VanDerWaalsContact O-CD 3.25Å; V303-P313 WeakPolarHBondContact O-CD 3.3Å; V303-P313 WeakPolarHBondContact O-CG 3.45Å; V303-H336 HydrophobicContact CG1-CB 4.4Å; V303-H336 HydrophobicContact CG2-CB 3.95Å; V303-H336 VanDerWaalsContact CG2-O 3.31Å; V303-H336 WeakPolarHBondContact CG2-O 3.47Å
304N90.2Very high93.2Very high46 Ų4644.6 Ų44.625%0.24622%0.218CC..THydrogen-bonded Turntrans-112.13.5-179.3-55.1-57.9000113N302 L306 T337 Y338N302-N304 PolarHBondContact O-N 2.99Å; N302-N304 WeakPolarHBondContact OD1-CA 3.38Å; N302-N304 WeakPolarHBondContact OD1-CB 3.12Å; N302-N304 PolarHBondContact OD1-N 3.41Å; N304-L306 PolarHBondContact O-N 3.15Å; N304-T337 WeakPolarHBondContact OD1-CG2 3.42Å; N304-Y338 VanDerWaalsContact CG-O 3.25Å; N304-Y338 PolarHBondContact ND2-O 3.27Å; N304-Y338 VanDerWaalsContact ND2-O 3.1Å; N304-Y338 PolarHBondContact OD1-N 3.41Å; N304-Y338 PolarHBondContact OD1-O 2.82Å
305I92.1Very high93.4Very high24 Ų2443.7 Ų43.712%0.12321%0.213CC..  trans-62.1138.3173.9-66.7176.6000108.9N271 Q273 T279 H282 N302 P313N271-I305 HydrophobicContact CB-CD1 3.73Å; Q273-I305 HydrophobicContact CG-CG2 4.21Å; Q273-I305 VanDerWaalsContact NE2-CG2 3.31Å; T279-I305 HydrophobicContact CG2-CB 4.46Å; T279-I305 HydrophobicContact CG2-CD1 3.86Å; T279-I305 HydrophobicContact CG2-CG2 3.89Å; H282-I305 PolarHBondContact CE1-O 3.11Å; H282-I305 PolarHBondContact NE2-O 3.09Å; N302-I305 HydrophobicContact CB-CD1 3.69Å; N302-I305 HydrophobicContact CB-CG1 3.68Å; N302-I305 WeakPolarHBondContact ND2-CG1 3.35Å; N302-I305 PolarHBondContact O-N 3.32Å; I305-P313 WeakPolarHBondContact O-CD 3.5Å
306L94.7Very high93.4Very high71 Ų7144.4 Ų44.437%0.37222%0.216SC..  trans-105.1142.2179.2-60.4176.6000111.1Q273 N304 E311Q273-L306 PolarHBondContact NE2-O 3.42Å; Q273-L306 VanDerWaalsContact NE2-O 3.12Å; N304-L306 PolarHBondContact O-N 3.15Å; L306-E311 WeakPolarHBondContact CA-O 3.34Å
307T96.8Very high93.4Very high9 Ų944.5 Ų44.56%0.05522%0.216CC..  trans-67.6171.4164.975.10000110.9K276 Q278 H282 N309 G310 E311K276-T307 WeakPolarHBondContact O-CB 3.4Å; Q278-T307 HydrophobicContact CB-CG2 4.41Å; Q278-T307 HydrophobicContact CG-CG2 3.5Å; Q278-T307 VanDerWaalsContact CG-CG2 3.5Å; H282-T307 VanDerWaalsContact CD2-CG2 3.5Å; H282-T307 WeakPolarHBondContact CD2-CG2 3.38Å; T307-N309 PolarHBondContact O-N 3.04Å; T307-N309 PolarHBondContact OG1-N 3.34Å; T307-G310 WeakPolarHBondContact O-CA 3.49Å; T307-G310 PolarHBondContact O-N 3.13Å; T307-G310 PolarHBondContact OG1-N 2.79Å; T307-E311 HydrophobicContact CG2-CB 3.97Å; T307-E311 WeakPolarHBondContact CG2-O 3.35Å; T307-E311 PolarHBondContact N-O 2.74Å; T307-E311 WeakPolarHBondContact OG1-CB 3.26Å; T307-E311 PolarHBondContact OG1-N 2.83Å; T307-E311 PolarHBondContact OG1-OE2 3.12Å
308R96.3Very high93.6Very high176 Ų17642.8 Ų42.866%0.66421%0.208SC*.THydrogen-bonded Turntrans-60.2-26.8172.4-71.6-173.7178.5-178.74.5113.1Y275 K276 G310 N345Y275-R308 VanDerWaalsContact O-CD 3.28Å; Y275-R308 WeakPolarHBondContact O-CD 3.45Å; Y275-R308 PolarHBondContact O-NE 3.39Å; Y275-R308 PolarHBondContact O-NH1 3.26Å; Y275-R308 PolarHBondContact O-NH2 2.95Å; K276-R308 PolarHBondContact O-N 3.21Å; R308-G310 PolarHBondContact O-N 3.16Å; R308-N345 PolarHBondContact O-ND2 2.85Å; R308-N345 VanDerWaalsContact O-ND2 3.14Å
309N95.2Very high93.7Very high94 Ų9440.3 Ų40.350%0.50319%0.192SC..THydrogen-bonded Turntrans-83.70.8174.1-66.3-10.9000112.5T307 E311 N344 N345T307-N309 PolarHBondContact O-N 3.04Å; T307-N309 PolarHBondContact OG1-N 3.34Å; N309-E311 HydrophobicContact CB-CG 4.06Å; N309-N344 WeakPolarHBondContact O-CB 3.46Å; N309-N345 VanDerWaalsContact C-CG 3.47Å; N309-N345 VanDerWaalsContact C-ND2 3.29Å; N309-N345 WeakPolarHBondContact O-CB 3.39Å; N309-N345 VanDerWaalsContact O-CG 3.24Å; N309-N345 PolarHBondContact O-N 3.29Å; N309-N345 PolarHBondContact O-ND2 3.48Å
310G94.6Very high93.7Very high1 Ų142.7 Ų42.71%0.0120%0.199CC..  trans73.329.1-175.700000113.1T307 R308 R341 N345T307-G310 WeakPolarHBondContact O-CA 3.49Å; T307-G310 PolarHBondContact O-N 3.13Å; T307-G310 PolarHBondContact OG1-N 2.79Å; R308-G310 PolarHBondContact O-N 3.16Å; G310-R341 VanDerWaalsContact C-NH1 3.3Å; G310-R341 VanDerWaalsContact CA-NH1 3.33Å; G310-R341 PolarHBondContact O-NH1 3.22Å; G310-N345 VanDerWaalsContact CA-OD1 3.26Å; G310-N345 WeakPolarHBondContact CA-OD1 3.43Å; G310-N345 PolarHBondContact N-ND2 3.31Å
311E95.3Very high93.6Very high28 Ų2837.4 Ų37.413%0.13118%0.179CC..  trans-90131.5177.4-58.6162.5152.400108H282 L306 T307 N309 Y315 M316 N344H282-E311 PolarHBondContact NE2-O 3.38Å; L306-E311 WeakPolarHBondContact CA-O 3.34Å; T307-E311 HydrophobicContact CG2-CB 3.97Å; T307-E311 WeakPolarHBondContact CG2-O 3.35Å; T307-E311 PolarHBondContact N-O 2.74Å; T307-E311 WeakPolarHBondContact OG1-CB 3.26Å; T307-E311 PolarHBondContact OG1-N 2.83Å; T307-E311 PolarHBondContact OG1-OE2 3.12Å; N309-E311 HydrophobicContact CB-CG 4.06Å; E311-Y315 HydrophobicContact CB-CD1 3.56Å; E311-Y315 HydrophobicContact CB-CE1 4.03Å; E311-Y315 HydrophobicContact CB-CG 4.09Å; E311-Y315 HydrophobicContact CG-CD1 3.63Å; E311-Y315 HydrophobicContact CG-CE1 3.52Å; E311-Y315 HydrophobicContact CG-CG 4.32Å; E311-M316 HydrophobicContact CB-SD 4.25Å; E311-N344 HydrophobicContact CG-CB 3.88Å
312S94.6Very high93.4Very high4 Ų440.9 Ų40.93%0.02819%0.192CC..  trans-88.2163.6173.658.40000110.8I314 Y315 M316 R341S312-I314 PolarHBondContact O-N 3.47Å; S312-I314 WeakPolarHBondContact OG-CG2 3.5Å; S312-Y315 WeakPolarHBondContact O-CA 3.38Å; S312-Y315 VanDerWaalsContact O-CB 3.25Å; S312-Y315 WeakPolarHBondContact O-CB 3.49Å; S312-Y315 PolarHBondContact O-N 3.4Å; S312-Y315 WeakPolarHBondContact OG-CB 3.26Å; S312-Y315 PolarHBondContact OG-N 3.02Å; S312-Y315 VanDerWaalsContact OG-N 3.13Å; S312-M316 PolarHBondContact O-N 3.25Å; S312-R341 PolarHBondContact OG-O 3.5Å
313P95.2Very high93.4Very high1 Ų137.8 Ų37.81%0.00618%0.176CC..Hα-helixtrans-53.9-40.3170.8-31.636.3000112.8I281 C285 V303 I305 Y315 M316 Y317I281-P313 HydrophobicContact CG1-CB 4.35Å; I281-P313 HydrophobicContact CG2-CB 4.34Å; I281-P313 HydrophobicContact CG2-CG 3.83Å; C285-P313 HydrophobicContact CB-CB 4.44Å; C285-P313 WeakPolarHBondContact CB-O 3.45Å; V303-P313 VanDerWaalsContact O-CD 3.25Å; V303-P313 WeakPolarHBondContact O-CD 3.3Å; V303-P313 WeakPolarHBondContact O-CG 3.45Å; I305-P313 WeakPolarHBondContact O-CD 3.5Å; P313-Y315 VanDerWaalsContact C-N 3.35Å; P313-Y315 PolarHBondContact O-N 2.93Å; P313-M316 PolarHBondContact O-N 3.16Å; P313-Y317 PolarHBondContact O-N 3.5Å
314I94.8Very high93.2Very high1 Ų137.6 Ų37.61%0.00518%0.175CC..Hα-helixtrans-65.1-37.6174.4-168.967.9000111.9S312 M316 Y317 L318 L330 L333 L334 T337 L340S312-I314 PolarHBondContact O-N 3.47Å; S312-I314 WeakPolarHBondContact OG-CG2 3.5Å; I314-M316 VanDerWaalsContact C-N 3.32Å; I314-M316 PolarHBondContact O-N 3.29Å; I314-Y317 WeakPolarHBondContact O-CB 3.47Å; I314-Y317 PolarHBondContact O-N 3.36Å; I314-L318 HydrophobicContact CG1-CD1 4.13Å; I314-L318 HydrophobicContact CG1-CG 4.36Å; I314-L318 WeakPolarHBondContact O-CB 3.19Å; I314-L318 VanDerWaalsContact O-CG 3.26Å; I314-L318 WeakPolarHBondContact O-CG 3.35Å; I314-L318 PolarHBondContact O-N 3.08Å; I314-L330 HydrophobicContact CD1-CD1 3.83Å; I314-L333 HydrophobicContact CD1-CB 3.83Å; I314-L333 HydrophobicContact CD1-CD1 4.43Å; I314-L334 HydrophobicContact CD1-CD2 4.09Å; I314-L334 HydrophobicContact CD1-CG 4.34Å; I314-L334 HydrophobicContact CG1-CD2 4.11Å; I314-T337 HydrophobicContact CB-CG2 4.46Å; I314-T337 HydrophobicContact CG2-CG2 3.92Å; I314-L340 HydrophobicContact CG1-CD1 4.44Å; I314-L340 HydrophobicContact CG2-CD1 4.13Å
315Y95.1Very high93.1Very high10 Ų1043 Ų434%0.03919%0.192CC..Hα-helixtrans-58.6-45.7173.3178.9-79.2000110.7E311 S312 P313 Y317 L318 Q319 N344 I348 P350E311-Y315 HydrophobicContact CB-CD1 3.56Å; E311-Y315 HydrophobicContact CB-CE1 4.03Å; E311-Y315 HydrophobicContact CB-CG 4.09Å; E311-Y315 HydrophobicContact CG-CD1 3.63Å; E311-Y315 HydrophobicContact CG-CE1 3.52Å; E311-Y315 HydrophobicContact CG-CG 4.32Å; S312-Y315 WeakPolarHBondContact O-CA 3.38Å; S312-Y315 VanDerWaalsContact O-CB 3.25Å; S312-Y315 WeakPolarHBondContact O-CB 3.49Å; S312-Y315 PolarHBondContact O-N 3.4Å; S312-Y315 WeakPolarHBondContact OG-CB 3.26Å; S312-Y315 PolarHBondContact OG-N 3.02Å; S312-Y315 VanDerWaalsContact OG-N 3.13Å; P313-Y315 VanDerWaalsContact C-N 3.35Å; P313-Y315 PolarHBondContact O-N 2.93Å; Y315-Y317 VanDerWaalsContact C-N 3.35Å; Y315-Y317 PolarHBondContact O-N 3.33Å; Y315-L318 PolarHBondContact O-N 3.42Å; Y315-Q319 PolarHBondContact O-N 3.45Å; Y315-Q319 VanDerWaalsContact O-N 3.13Å; Y315-N344 HydrophobicContact CE2-CB 4.08Å; Y315-I348 WeakPolarHBondContact CE2-O 3.44Å; Y315-P350 HydrophobicContact CD2-CB 4.45Å; Y315-P350 HydrophobicContact CD2-CG 3.51Å; Y315-P350 HydrophobicContact CE2-CB 4.39Å; Y315-P350 HydrophobicContact CE2-CG 3.76Å; Y315-P350 HydrophobicContact CG-CG 3.96Å
316M95.1Very high92.9Very high17 Ų1744.5 Ų44.58%0.08420%0.2CC..Hα-helixtrans-63.3-39177-62.4-59.3-73.600112.4H282 C285 F286 E311 S312 P313 I314 Q319H282-M316 HydrophobicContact CB-CG 4.24Å; C285-M316 HydrophobicContact CB-CB 4.44Å; F286-M316 HydrophobicContact CB-CB 4.31Å; F286-M316 HydrophobicContact CB-CE 4.31Å; F286-M316 HydrophobicContact CD2-CE 4.04Å; F286-M316 HydrophobicContact CG-CE 4.4Å; E311-M316 HydrophobicContact CB-SD 4.25Å; S312-M316 PolarHBondContact O-N 3.25Å; P313-M316 PolarHBondContact O-N 3.16Å; I314-M316 VanDerWaalsContact C-N 3.32Å; I314-M316 PolarHBondContact O-N 3.29Å; M316-Q319 VanDerWaalsContact O-CB 3.28Å; M316-Q319 WeakPolarHBondContact O-CB 3.46Å; M316-Q319 PolarHBondContact O-N 2.97Å
317Y94.9Very high92.6Very high1 Ų146.2 Ų46.20%0.00421%0.214CC..Hα-helixtrans-60-47.9175.2-174.2-93.4000111.9C285 P313 I314 Y315 Q319 R320 N323 D326 L329 L330 L333C285-Y317 WeakPolarHBondContact O-CA 3.25Å; C285-Y317 WeakPolarHBondContact O-CD2 3.21Å; P313-Y317 PolarHBondContact O-N 3.5Å; I314-Y317 WeakPolarHBondContact O-CB 3.47Å; I314-Y317 PolarHBondContact O-N 3.36Å; Y315-Y317 VanDerWaalsContact C-N 3.35Å; Y315-Y317 PolarHBondContact O-N 3.33Å; Y317-Q319 PolarHBondContact O-N 3.48Å; Y317-R320 PolarHBondContact O-N 2.85Å; Y317-N323 HydrophobicContact CD1-CB 4.1Å; Y317-N323 HydrophobicContact CD2-CB 4.1Å; Y317-N323 HydrophobicContact CE1-CB 3.82Å; Y317-N323 WeakPolarHBondContact CE1-O 3.17Å; Y317-N323 HydrophobicContact CE2-CB 3.85Å; Y317-N323 HydrophobicContact CG-CB 4.24Å; Y317-N323 VanDerWaalsContact CZ-O 3.3Å; Y317-N323 WeakPolarHBondContact O-CB 3.36Å; Y317-N323 PolarHBondContact O-ND2 3.33Å; Y317-N323 VanDerWaalsContact O-ND2 3.12Å; Y317-N323 PolarHBondContact OH-O 3.28Å; Y317-D326 PolarHBondContact OH-O 3.05Å; Y317-L329 HydrophobicContact CE2-CD2 3.62Å; Y317-L329 HydrophobicContact CE2-CG 3.86Å; Y317-L330 HydrophobicContact CD1-CD1 4Å; Y317-L330 HydrophobicContact CE1-CB 3.94Å; Y317-L330 HydrophobicContact CE1-CD1 3.89Å; Y317-L330 HydrophobicContact CE1-CG 4.44Å; Y317-L333 HydrophobicContact CD1-CD1 4.2Å; Y317-L333 HydrophobicContact CD2-CD1 3.37Å; Y317-L333 HydrophobicContact CE1-CD1 4.48Å; Y317-L333 HydrophobicContact CE2-CD1 3.69Å; Y317-L333 HydrophobicContact CG-CD1 3.64Å
318L94.8Very high92.2Very high1 Ų148.7 Ų48.71%0.00524%0.235CC..Hα-helixtrans-72.3-10.3-178.7-66.2177.6000113.6I314 Y315 R320 V324 L330 M342 P350 G352 I353 L365I314-L318 HydrophobicContact CG1-CD1 4.13Å; I314-L318 HydrophobicContact CG1-CG 4.36Å; I314-L318 WeakPolarHBondContact O-CB 3.19Å; I314-L318 VanDerWaalsContact O-CG 3.26Å; I314-L318 WeakPolarHBondContact O-CG 3.35Å; I314-L318 PolarHBondContact O-N 3.08Å; Y315-L318 PolarHBondContact O-N 3.42Å; L318-R320 PolarHBondContact O-N 3Å; L318-V324 HydrophobicContact CD2-CG2 4.02Å; L318-L330 HydrophobicContact CD2-CD1 3.79Å; L318-M342 HydrophobicContact CD1-CE 3.56Å; L318-M342 HydrophobicContact CD1-SD 4.14Å; L318-P350 HydrophobicContact CB-CB 3.68Å; L318-P350 HydrophobicContact CB-CG 3.71Å; L318-P350 HydrophobicContact CD1-CG 4.34Å; L318-G352 WeakPolarHBondContact O-CA 3.48Å; L318-G352 PolarHBondContact O-N 3.31Å; L318-I353 HydrophobicContact CB-CG2 4.01Å; L318-I353 HydrophobicContact CD1-CG2 4.43Å; L318-I353 HydrophobicContact CD2-CG2 3.8Å; L318-I353 HydrophobicContact CG-CG2 4.29Å; L318-L365 HydrophobicContact CD1-CD1 4.05Å; L318-L365 HydrophobicContact CD2-CD1 4.39Å
319Q93.5Very high91.8Very high64 Ų6440.3 Ų40.330%0.29920%0.204SC..THydrogen-bonded Turntrans-65.9-24.2176.5-164.367.20.100112.4F286 Y315 M316 Y317 P350 G352F286-Q319 HydrophobicContact CD2-CB 4.31Å; F286-Q319 HydrophobicContact CE2-CB 4.29Å; F286-Q319 HydrophobicContact CE2-CG 4.09Å; Y315-Q319 PolarHBondContact O-N 3.45Å; Y315-Q319 VanDerWaalsContact O-N 3.13Å; M316-Q319 VanDerWaalsContact O-CB 3.28Å; M316-Q319 WeakPolarHBondContact O-CB 3.46Å; M316-Q319 PolarHBondContact O-N 2.97Å; Y317-Q319 PolarHBondContact O-N 3.48Å; Q319-P350 VanDerWaalsContact OE1-CA 3.22Å; Q319-G352 PolarHBondContact O-N 3.37Å
320R91.4Very high91.7Very high116 Ų11636.2 Ų36.244%0.43818%0.182SC..SBendtrans-113.8117.8-176.6-58.1-71.2-79.4150.93.7110.4F286 Y317 L318 F322 N323F286-R320 HydrophobicContact CD2-CG 4.11Å; F286-R320 HydrophobicContact CE2-CG 3.88Å; F286-R320 HydrophobicContact CZ-CG 4.19Å; Y317-R320 PolarHBondContact O-N 2.85Å; L318-R320 PolarHBondContact O-N 3Å; R320-F322 VanDerWaalsContact C-N 3.28Å; R320-F322 HydrophobicContact CB-CD1 4.06Å; R320-F322 HydrophobicContact CB-CE1 3.66Å; R320-F322 HydrophobicContact CB-CZ 4.14Å; R320-F322 HydrophobicContact CG-CE1 4.14Å; R320-F322 HydrophobicContact CG-CZ 4.5Å; R320-F322 PolarHBondContact O-N 3.09Å; R320-N323 HydrophobicContact CB-CB 4.49Å; R320-N323 WeakPolarHBondContact O-CB 3.23Å; R320-N323 PolarHBondContact O-N 3Å
321S88.8Confident91.3Very high39 Ų3938.9 Ų38.927%0.27320%0.204SC..Hα-helixtrans-57.1-34.3-176.653.90000114.6N323 V324 L355S321-N323 VanDerWaalsContact C-N 3.33Å; S321-N323 PolarHBondContact O-N 3.24Å; S321-V324 WeakPolarHBondContact O-CB 3.43Å; S321-V324 PolarHBondContact O-N 3.42Å; S321-L355 VanDerWaalsContact CB-CD1 3.47Å
322F87.8Confident90.9Very high80 Ų8042.1 Ų42.135%0.35121%0.214SC..Hα-helixtrans-70-27.5178.471.4-92.8000113.3R320 V324 R325R320-F322 VanDerWaalsContact C-N 3.28Å; R320-F322 HydrophobicContact CB-CD1 4.06Å; R320-F322 HydrophobicContact CB-CE1 3.66Å; R320-F322 HydrophobicContact CB-CZ 4.14Å; R320-F322 HydrophobicContact CG-CE1 4.14Å; R320-F322 HydrophobicContact CG-CZ 4.5Å; R320-F322 PolarHBondContact O-N 3.09Å; F322-V324 VanDerWaalsContact C-N 3.33Å; F322-R325 PolarHBondContact O-N 2.79Å
323N89.3Confident90.6Very high4 Ų442 Ų422%0.02121%0.214CC..Hα-helixtrans-67.2-39.6173.5-68.5-13.6000110.3C285 F286 G288 Y317 R320 S321 R325 D326C285-N323 PolarHBondContact O-ND2 3.3Å; C285-N323 VanDerWaalsContact O-ND2 3.13Å; F286-N323 PolarHBondContact O-ND2 3.3Å; G288-N323 WeakPolarHBondContact CA-OD1 3.4Å; Y317-N323 HydrophobicContact CD1-CB 4.1Å; Y317-N323 HydrophobicContact CD2-CB 4.1Å; Y317-N323 HydrophobicContact CE1-CB 3.82Å; Y317-N323 WeakPolarHBondContact CE1-O 3.17Å; Y317-N323 HydrophobicContact CE2-CB 3.85Å; Y317-N323 HydrophobicContact CG-CB 4.24Å; Y317-N323 VanDerWaalsContact CZ-O 3.3Å; Y317-N323 WeakPolarHBondContact O-CB 3.36Å; Y317-N323 PolarHBondContact O-ND2 3.33Å; Y317-N323 VanDerWaalsContact O-ND2 3.12Å; Y317-N323 PolarHBondContact OH-O 3.28Å; R320-N323 HydrophobicContact CB-CB 4.49Å; R320-N323 WeakPolarHBondContact O-CB 3.23Å; R320-N323 PolarHBondContact O-N 3Å; S321-N323 VanDerWaalsContact C-N 3.33Å; S321-N323 PolarHBondContact O-N 3.24Å; N323-R325 PolarHBondContact O-N 3.05Å; N323-R325 VanDerWaalsContact O-N 3.15Å; N323-D326 PolarHBondContact O-N 3.24Å
324V87.8Confident90.3Very high3 Ų343.3 Ų43.32%0.01822%0.221CC..Hα-helixtrans-61.4-25.6-178.6-172.90000112.1L318 S321 F322 D326 L330 I353 F358 L361L318-V324 HydrophobicContact CD2-CG2 4.02Å; S321-V324 WeakPolarHBondContact O-CB 3.43Å; S321-V324 PolarHBondContact O-N 3.42Å; F322-V324 VanDerWaalsContact C-N 3.33Å; V324-D326 VanDerWaalsContact C-N 3.31Å; V324-L330 HydrophobicContact CG1-CD2 4.49Å; V324-I353 HydrophobicContact CG1-CG2 4.46Å; V324-I353 HydrophobicContact CG2-CG2 4.13Å; V324-F358 HydrophobicContact CB-CD1 4.39Å; V324-F358 HydrophobicContact CB-CE1 3.98Å; V324-F358 HydrophobicContact CB-CE2 4.22Å; V324-F358 HydrophobicContact CB-CZ 3.89Å; V324-F358 HydrophobicContact CG1-CD1 3.56Å; V324-F358 HydrophobicContact CG1-CD2 4.33Å; V324-F358 HydrophobicContact CG1-CE1 3.56Å; V324-F358 HydrophobicContact CG1-CE2 4.33Å; V324-F358 HydrophobicContact CG1-CG 3.97Å; V324-F358 HydrophobicContact CG1-CZ 3.96Å; V324-L361 HydrophobicContact CG1-CD2 3.24Å
325R86.6Confident89.8Confident158 Ų15846.5 Ų46.560%0.59623%0.233SC*.THydrogen-bonded Turntrans-72.5-22.9177.4-62.1-180-178.9-166.8-4.4113.2F322 N323 T327 E357 F358F322-R325 PolarHBondContact O-N 2.79Å; N323-R325 PolarHBondContact O-N 3.05Å; N323-R325 VanDerWaalsContact O-N 3.15Å; R325-T327 PolarHBondContact O-N 2.94Å; R325-T327 VanDerWaalsContact O-N 3.12Å; R325-E357 IonicContact CZ-OE1 3.34Å; R325-E357 IonicContact NE-OE1 2.62Å; R325-E357 IonicContact NH2-OE1 3.14Å; R325-E357 PolarHBondContact NH2-OE1 3.42Å; R325-E357 IonicContact NH2-OE2 3.75Å; R325-E357 PolarHBondContact NH2-OE2 3.37Å; R325-F358 HydrophobicContact CG-CE1 4.38Å; R325-F358 HydrophobicContact CG-CZ 3.99Å
326D88.8Confident89.2Confident57 Ų5748.2 Ų48.231%0.30524%0.241SC..  trans-81.388171.3-173.2-17.4000109.3Y317 N323 V324 A328 L329 L330Y317-D326 PolarHBondContact OH-O 3.05Å; N323-D326 PolarHBondContact O-N 3.24Å; V324-D326 VanDerWaalsContact C-N 3.31Å; D326-A328 VanDerWaalsContact C-N 3.3Å; D326-A328 PolarHBondContact O-N 3.19Å; D326-A328 PolarHBondContact OD1-N 3.47Å; D326-L329 HydrophobicContact CB-CB 4.27Å; D326-L329 VanDerWaalsContact CG-CB 3.44Å; D326-L329 WeakPolarHBondContact OD1-CB 3.46Å; D326-L329 PolarHBondContact OD1-N 3.27Å; D326-L329 WeakPolarHBondContact OD2-CB 3.48Å; D326-L330 VanDerWaalsContact O-CB 3.28Å; D326-L330 WeakPolarHBondContact O-CB 3.45Å; D326-L330 PolarHBondContact O-N 3.22Å
327T87.3Confident88.7Confident106 Ų10647.5 Ų47.565%0.6524%0.238SC*.Hα-helixtrans-67.5-31.5-176.754.70000112.3R325 A331R325-T327 PolarHBondContact O-N 2.94Å; R325-T327 VanDerWaalsContact O-N 3.12Å; T327-A331 VanDerWaalsContact O-CB 3.23Å; T327-A331 WeakPolarHBondContact O-CB 3.43Å; T327-A331 PolarHBondContact O-N 3.38Å
328A88.8Confident88.2Confident61 Ų6149.4 Ų49.450%0.50425%0.245SC..Hα-helixtrans-68.8-49.6179.700000110.8D326 A331 R332D326-A328 VanDerWaalsContact C-N 3.3Å; D326-A328 PolarHBondContact O-N 3.19Å; D326-A328 PolarHBondContact OD1-N 3.47Å; A328-A331 PolarHBondContact O-N 2.9Å; A328-R332 VanDerWaalsContact O-CG 3.31Å; A328-R332 WeakPolarHBondContact O-CG 3.33Å; A328-R332 PolarHBondContact O-N 3.34Å; A328-R332 VanDerWaalsContact O-N 3.08Å
329L89.3Confident87.8Confident1 Ų153.6 Ų53.61%0.00527%0.273CS..Hα-helixtrans-66.2-39.5177.4-177.759000111.8E290 I293 Y317 D326 R332 L333E290-L329 HydrophobicContact CB-CD1 4.19Å; E290-L329 HydrophobicContact CB-CD2 4.04Å; E290-L329 HydrophobicContact CG-CD1 4.11Å; I293-L329 HydrophobicContact CD1-CD1 4.2Å; I293-L329 HydrophobicContact CD1-CD2 3.94Å; I293-L329 HydrophobicContact CD1-CG 4.42Å; I293-L329 HydrophobicContact CG2-CD1 4.39Å; Y317-L329 HydrophobicContact CE2-CD2 3.62Å; Y317-L329 HydrophobicContact CE2-CG 3.86Å; D326-L329 HydrophobicContact CB-CB 4.27Å; D326-L329 VanDerWaalsContact CG-CB 3.44Å; D326-L329 WeakPolarHBondContact OD1-CB 3.46Å; D326-L329 PolarHBondContact OD1-N 3.27Å; D326-L329 WeakPolarHBondContact OD2-CB 3.48Å; L329-R332 PolarHBondContact O-N 2.89Å; L329-L333 HydrophobicContact CG-CD1 4.47Å; L329-L333 PolarHBondContact O-N 2.98Å
330L91.2Very high87.5Confident8 Ų851.7 Ų51.74%0.04226%0.264CS..Hα-helixtrans-60-49.1174.4178.258000111.6I314 Y317 L318 V324 D326 R332 L333 L334 L361I314-L330 HydrophobicContact CD1-CD1 3.83Å; Y317-L330 HydrophobicContact CD1-CD1 4Å; Y317-L330 HydrophobicContact CE1-CB 3.94Å; Y317-L330 HydrophobicContact CE1-CD1 3.89Å; Y317-L330 HydrophobicContact CE1-CG 4.44Å; L318-L330 HydrophobicContact CD2-CD1 3.79Å; V324-L330 HydrophobicContact CG1-CD2 4.49Å; D326-L330 VanDerWaalsContact O-CB 3.28Å; D326-L330 WeakPolarHBondContact O-CB 3.45Å; D326-L330 PolarHBondContact O-N 3.22Å; L330-R332 VanDerWaalsContact C-N 3.28Å; L330-R332 PolarHBondContact O-N 3.27Å; L330-L333 PolarHBondContact O-N 3.4Å; L330-L334 HydrophobicContact CD1-CD1 4.01Å; L330-L334 HydrophobicContact CD1-CG 4Å; L330-L334 HydrophobicContact CG-CD1 3.9Å; L330-L334 HydrophobicContact CG-CG 4.35Å; L330-L334 WeakPolarHBondContact O-CB 3.41Å; L330-L334 VanDerWaalsContact O-CG 3.27Å; L330-L334 WeakPolarHBondContact O-CG 3.33Å; L330-L334 PolarHBondContact O-N 3.24Å; L330-L361 HydrophobicContact CD2-CD1 4.26Å; L330-L361 HydrophobicContact CD2-CD2 3.91Å
331A87.7Confident87.3Confident57 Ų5749.4 Ų49.447%0.47126%0.256SS..Hα-helixtrans-59-40.4178.800000111.7T327 A328 Y335T327-A331 VanDerWaalsContact O-CB 3.23Å; T327-A331 WeakPolarHBondContact O-CB 3.43Å; T327-A331 PolarHBondContact O-N 3.38Å; A328-A331 PolarHBondContact O-N 2.9Å; A331-Y335 VanDerWaalsContact O-CB 3.26Å; A331-Y335 WeakPolarHBondContact O-CB 3.1Å; A331-Y335 PolarHBondContact O-N 3.19Å
332R86.3Confident87.4Confident95 Ų9547.9 Ų47.936%0.35824%0.244SC..Hα-helixtrans-65.3-46.1175.9-71.7174.763.3-179.43112.8E290 N294 A328 L329 L330 Y335 H336E290-R332 IonicContact OE1-CZ 3.97Å; E290-R332 IonicContact OE1-NH1 2.74Å; E290-R332 PolarHBondContact OE1-NH1 3.38Å; N294-R332 PolarHBondContact ND2-NH1 3.3Å; N294-R332 PolarHBondContact ND2-NH2 3.02Å; N294-R332 VanDerWaalsContact OD1-CZ 3.22Å; N294-R332 PolarHBondContact OD1-NH1 2.9Å; N294-R332 PolarHBondContact OD1-NH2 3.45Å; A328-R332 VanDerWaalsContact O-CG 3.31Å; A328-R332 WeakPolarHBondContact O-CG 3.33Å; A328-R332 PolarHBondContact O-N 3.34Å; A328-R332 VanDerWaalsContact O-N 3.08Å; L329-R332 PolarHBondContact O-N 2.89Å; L330-R332 VanDerWaalsContact C-N 3.28Å; L330-R332 PolarHBondContact O-N 3.27Å; R332-Y335 WeakPolarHBondContact O-CB 3.44Å; R332-Y335 PolarHBondContact O-N 3.28Å; R332-H336 PolarHBondContact O-CD2 3.44Å; R332-H336 PolarHBondContact O-N 3.28Å
333L89Confident87.5Confident2 Ų246.4 Ų46.41%0.0124%0.242CC..Hα-helixtrans-62.9-44.8176.4-76.2174.3000111.3I293 I314 Y317 L329 L330 Y335 H336 T337I293-L333 HydrophobicContact CD1-CD1 4.48Å; I293-L333 HydrophobicContact CG2-CD2 3.77Å; I314-L333 HydrophobicContact CD1-CB 3.83Å; I314-L333 HydrophobicContact CD1-CD1 4.43Å; Y317-L333 HydrophobicContact CD1-CD1 4.2Å; Y317-L333 HydrophobicContact CD2-CD1 3.37Å; Y317-L333 HydrophobicContact CE1-CD1 4.48Å; Y317-L333 HydrophobicContact CE2-CD1 3.69Å; Y317-L333 HydrophobicContact CG-CD1 3.64Å; L329-L333 HydrophobicContact CG-CD1 4.47Å; L329-L333 PolarHBondContact O-N 2.98Å; L330-L333 PolarHBondContact O-N 3.4Å; L333-Y335 PolarHBondContact O-N 3.4Å; L333-H336 PolarHBondContact O-N 3.13Å; L333-T337 WeakPolarHBondContact O-CB 3.35Å; L333-T337 PolarHBondContact O-N 3.4Å; L333-T337 PolarHBondContact O-OG1 3.32Å
334L88.2Confident87.7Confident29 Ų2946.8 Ų46.815%0.15224%0.244CC..Hα-helixtrans-57.7-42174.2-71.9171.5000110.4I314 L330 H336 T337 L340 L365 R381I314-L334 HydrophobicContact CD1-CD2 4.09Å; I314-L334 HydrophobicContact CD1-CG 4.34Å; I314-L334 HydrophobicContact CG1-CD2 4.11Å; L330-L334 HydrophobicContact CD1-CD1 4.01Å; L330-L334 HydrophobicContact CD1-CG 4Å; L330-L334 HydrophobicContact CG-CD1 3.9Å; L330-L334 HydrophobicContact CG-CG 4.35Å; L330-L334 WeakPolarHBondContact O-CB 3.41Å; L330-L334 VanDerWaalsContact O-CG 3.27Å; L330-L334 WeakPolarHBondContact O-CG 3.33Å; L330-L334 PolarHBondContact O-N 3.24Å; L334-H336 PolarHBondContact O-N 2.72Å; L334-T337 PolarHBondContact O-N 3.1Å; L334-L340 HydrophobicContact CD2-CD1 3.68Å; L334-L340 HydrophobicContact CD2-CD2 4.21Å; L334-L365 HydrophobicContact CD1-CD2 3.65Å; L334-L365 HydrophobicContact CD2-CD2 3.7Å; L334-L365 HydrophobicContact CG-CD2 4.34Å; L334-R381 PolarHBondContact O-NH2 3.39Å
335Y83.7Confident88Confident67 Ų6751.5 Ų51.526%0.26327%0.269SS..Hα-helixtrans-60.7-39.8177.6-178.6-94.3000113.2A331 R332 L333 R381 R384 L413A331-Y335 VanDerWaalsContact O-CB 3.26Å; A331-Y335 WeakPolarHBondContact O-CB 3.1Å; A331-Y335 PolarHBondContact O-N 3.19Å; R332-Y335 WeakPolarHBondContact O-CB 3.44Å; R332-Y335 PolarHBondContact O-N 3.28Å; L333-Y335 PolarHBondContact O-N 3.4Å; Y335-R381 VanDerWaalsContact C-NH2 3.25Å; Y335-R381 VanDerWaalsContact CA-NH2 3.31Å; Y335-R381 PolarHBondContact O-NE 3.13Å; Y335-R381 PolarHBondContact O-NH2 3.06Å; Y335-R384 WeakPolarHBondContact OH-CD 3.45Å; Y335-R384 PolarHBondContact OH-NH1 2.84Å; Y335-L413 HydrophobicContact CD2-CD1 4.06Å; Y335-L413 HydrophobicContact CE2-CD1 4.17Å
336H82.3Confident88.3Confident47 Ų4751 Ų5122%0.21827%0.274CS..Hα-helixtrans-79.6-23176.3-70.5-66.8000113.6V303 R332 L333 L334 N385V303-H336 HydrophobicContact CG1-CB 4.4Å; V303-H336 HydrophobicContact CG2-CB 3.95Å; V303-H336 VanDerWaalsContact CG2-O 3.31Å; V303-H336 WeakPolarHBondContact CG2-O 3.47Å; R332-H336 PolarHBondContact O-CD2 3.44Å; R332-H336 PolarHBondContact O-N 3.28Å; L333-H336 PolarHBondContact O-N 3.13Å; L334-H336 PolarHBondContact O-N 2.72Å; H336-N385 PolarHBondContact ND1-OD1 3.36Å; H336-N385 PolarHBondContact O-ND2 3.05Å; H336-N385 VanDerWaalsContact O-ND2 3.11Å
337T85.8Confident88.4Confident1 Ų150.7 Ų50.71%0.00628%0.283CS..  trans-83.3122.8-174.3-550000111.9N304 I314 L333 L334 L340 R381N304-T337 WeakPolarHBondContact OD1-CG2 3.42Å; I314-T337 HydrophobicContact CB-CG2 4.46Å; I314-T337 HydrophobicContact CG2-CG2 3.92Å; L333-T337 WeakPolarHBondContact O-CB 3.35Å; L333-T337 PolarHBondContact O-N 3.4Å; L333-T337 PolarHBondContact O-OG1 3.32Å; L334-T337 PolarHBondContact O-N 3.1Å; T337-L340 HydrophobicContact CG2-CD1 4.2Å; T337-R381 PolarHBondContact O-NH1 3.26Å; T337-R381 PolarHBondContact O-NH2 3.2Å
338Y84Confident88.7Confident42 Ų4249.7 Ų49.717%0.16527%0.273CS..SBendtrans-161.6133.1168.3-173.2-95.2000111.1N304 L373 I378N304-Y338 VanDerWaalsContact CG-O 3.25Å; N304-Y338 PolarHBondContact ND2-O 3.27Å; N304-Y338 VanDerWaalsContact ND2-O 3.1Å; N304-Y338 PolarHBondContact OD1-N 3.41Å; N304-Y338 PolarHBondContact OD1-O 2.82Å; Y338-L373 HydrophobicContact CD2-CD1 3.48Å; Y338-L373 VanDerWaalsContact CD2-CD1 3.48Å; Y338-L373 HydrophobicContact CD2-CG 4.07Å; Y338-L373 HydrophobicContact CE2-CB 3.76Å; Y338-L373 HydrophobicContact CE2-CD1 3.48Å; Y338-L373 VanDerWaalsContact CE2-CD1 3.48Å; Y338-L373 HydrophobicContact CE2-CG 3.56Å; Y338-L373 HydrophobicContact CG-CD1 4.12Å; Y338-L373 PolarHBondContact OH-N 2.94Å; Y338-L373 VanDerWaalsContact OH-N 3.08Å; Y338-I378 HydrophobicContact CD1-CG1 4.21Å; Y338-I378 HydrophobicContact CD1-CG2 4.18Å; Y338-I378 HydrophobicContact CE1-CB 4.26Å; Y338-I378 HydrophobicContact CE1-CD1 3.59Å; Y338-I378 HydrophobicContact CE1-CG1 3.41Å; Y338-I378 VanDerWaalsContact CE1-CG1 3.41Å; Y338-I378 HydrophobicContact CE1-CG2 3.98Å; Y338-I378 WeakPolarHBondContact OH-CD1 3.45Å
339P85.8Confident89Confident89 Ų8948.6 Ų48.658%0.57826%0.258SS*.SBendcis-67.1144.6-3.328.3-34.8000112.2R341P339-R341 PolarHBondContact O-N 3.28Å; P339-R341 VanDerWaalsContact O-N 3.1Å
340L87.4Confident89.2Confident23 Ų2348.5 Ų48.512%0.1226%0.258CS..  trans-73.3105.9177.5179.463.1000109I314 L334 T337 M342 L365 Q368 S369I314-L340 HydrophobicContact CG1-CD1 4.44Å; I314-L340 HydrophobicContact CG2-CD1 4.13Å; L334-L340 HydrophobicContact CD2-CD1 3.68Å; L334-L340 HydrophobicContact CD2-CD2 4.21Å; T337-L340 HydrophobicContact CG2-CD1 4.2Å; L340-M342 HydrophobicContact CD1-SD 3.91Å; L340-M342 HydrophobicContact CD2-CG 4.4Å; L340-M342 HydrophobicContact CD2-SD 4.11Å; L340-M342 HydrophobicContact CG-CG 4.15Å; L340-M342 HydrophobicContact CG-SD 3.94Å; L340-L365 HydrophobicContact CD2-CD2 4.4Å; L340-Q368 HydrophobicContact CD2-CB 4.05Å; L340-S369 VanDerWaalsContact O-CB 3.26Å; L340-S369 WeakPolarHBondContact O-CB 3.36Å
341R87.3Confident89.3Confident69 Ų6950.8 Ų50.826%0.2628%0.278SS..  trans-104.7110.8178.1-169156.2173.5-104-6.8110.5G310 S312 P339 N345G310-R341 VanDerWaalsContact C-NH1 3.3Å; G310-R341 VanDerWaalsContact CA-NH1 3.33Å; G310-R341 PolarHBondContact O-NH1 3.22Å; S312-R341 PolarHBondContact OG-O 3.5Å; P339-R341 PolarHBondContact O-N 3.28Å; P339-R341 VanDerWaalsContact O-N 3.1Å; R341-N345 PolarHBondContact NH2-OD1 3.34Å
342M90.1Very high89.4Confident7 Ų748.3 Ų48.33%0.03426%0.258CS..  trans-92.4-13.7-174.3-67.5-58.9-60.400113.9L318 L340 L349 P350 I353 L365L318-M342 HydrophobicContact CD1-CE 3.56Å; L318-M342 HydrophobicContact CD1-SD 4.14Å; L340-M342 HydrophobicContact CD1-SD 3.91Å; L340-M342 HydrophobicContact CD2-CG 4.4Å; L340-M342 HydrophobicContact CD2-SD 4.11Å; L340-M342 HydrophobicContact CG-CG 4.15Å; L340-M342 HydrophobicContact CG-SD 3.94Å; M342-L349 HydrophobicContact CB-CD2 4.1Å; M342-P350 WeakPolarHBondContact O-CD 3.41Å; M342-I353 HydrophobicContact CE-CD1 3.73Å; M342-L365 HydrophobicContact CE-CB 3.56Å; M342-L365 HydrophobicContact CE-CD1 3.76Å; M342-L365 HydrophobicContact CE-CG 4.28Å; M342-L365 HydrophobicContact SD-CB 3.91Å; M342-L365 HydrophobicContact SD-CD1 4.44Å
343T91.9Very high89.7Confident49 Ų4943.8 Ų43.830%0.30124%0.241SC..SBendtrans-123.9152.6-176.855.80000111.9G347 I348 L349T343-G347 WeakPolarHBondContact CG2-O 3.2Å; T343-I348 VanDerWaalsContact CA-O 3.27Å; T343-I348 WeakPolarHBondContact CA-O 3.24Å; T343-L349 HydrophobicContact CG2-CD2 3.83Å; T343-L349 HydrophobicContact CG2-CG 4.21Å
344N92.9Very high89.9Confident11 Ų1148.4 Ų48.46%0.05926%0.264CS..  trans-77.1-175.4170.173.51.9000111.1N309 E311 Y315 Q346 G347 I348N309-N344 WeakPolarHBondContact O-CB 3.46Å; E311-N344 HydrophobicContact CG-CB 3.88Å; Y315-N344 HydrophobicContact CE2-CB 4.08Å; N344-Q346 PolarHBondContact O-N 3.1Å; N344-Q346 VanDerWaalsContact O-N 3.15Å; N344-Q346 WeakPolarHBondContact OD1-CA 3.04Å; N344-Q346 WeakPolarHBondContact OD1-CB 3.47Å; N344-Q346 PolarHBondContact OD1-N 2.94Å; N344-G347 PolarHBondContact O-N 2.85Å; N344-G347 PolarHBondContact OD1-N 3.34Å; N344-I348 PolarHBondContact N-O 3.36Å; N344-I348 PolarHBondContact OD1-N 3.04Å
345N92.9Very high90Very high103 Ų10350.4 Ų50.455%0.55127%0.274SS*.THydrogen-bonded Turntrans-62.6-19.1178.5-71-11.9000113.7R308 N309 G310 R341R308-N345 PolarHBondContact O-ND2 2.85Å; R308-N345 VanDerWaalsContact O-ND2 3.14Å; N309-N345 VanDerWaalsContact C-CG 3.47Å; N309-N345 VanDerWaalsContact C-ND2 3.29Å; N309-N345 WeakPolarHBondContact O-CB 3.39Å; N309-N345 VanDerWaalsContact O-CG 3.24Å; N309-N345 PolarHBondContact O-N 3.29Å; N309-N345 PolarHBondContact O-ND2 3.48Å; G310-N345 VanDerWaalsContact CA-OD1 3.26Å; G310-N345 WeakPolarHBondContact CA-OD1 3.43Å; G310-N345 PolarHBondContact N-ND2 3.31Å; R341-N345 PolarHBondContact NH2-OD1 3.34Å
346Q93.2Very high90.3Very high148 Ų14852.9 Ų52.969%0.69230%0.298SS*.THydrogen-bonded Turntrans-91.60.7176.9-61.3172.7-10.200112.5N344 I348N344-Q346 PolarHBondContact O-N 3.1Å; N344-Q346 VanDerWaalsContact O-N 3.15Å; N344-Q346 WeakPolarHBondContact OD1-CA 3.04Å; N344-Q346 WeakPolarHBondContact OD1-CB 3.47Å; N344-Q346 PolarHBondContact OD1-N 2.94Å; Q346-I348 VanDerWaalsContact C-N 3.26Å; Q346-I348 HydrophobicContact CB-CD1 3.96Å; Q346-I348 HydrophobicContact CB-CG1 3.97Å; Q346-I348 PolarHBondContact O-N 2.9Å; Q346-I348 VanDerWaalsContact OE1-CD1 3.23Å
347G92Very high90.8Very high49 Ų4955.8 Ų55.851%0.50531%0.312SS..  trans76.99.7-176.700000114.3T343 N344T343-G347 WeakPolarHBondContact CG2-O 3.2Å; N344-G347 PolarHBondContact O-N 2.85Å; N344-G347 PolarHBondContact OD1-N 3.34Å
348I93.8Very high91Very high85 Ų8556.9 Ų56.944%0.43632%0.317SS..PPolyproline II helixtrans-82.3139.2-177.5-57.4175000109.7Y315 T343 N344 Q346Y315-I348 WeakPolarHBondContact CE2-O 3.44Å; T343-I348 VanDerWaalsContact CA-O 3.27Å; T343-I348 WeakPolarHBondContact CA-O 3.24Å; N344-I348 PolarHBondContact N-O 3.36Å; N344-I348 PolarHBondContact OD1-N 3.04Å; Q346-I348 VanDerWaalsContact C-N 3.26Å; Q346-I348 HydrophobicContact CB-CD1 3.96Å; Q346-I348 HydrophobicContact CB-CG1 3.97Å; Q346-I348 PolarHBondContact O-N 2.9Å; Q346-I348 VanDerWaalsContact OE1-CD1 3.23Å
349L94.1Very high91.4Very high38 Ų3862.7 Ų62.720%0.19934%0.338CS..PPolyproline II helixtrans-85.1153.1174.4-71.3166.9000111.6M342 T343 I353 M354 R362 I366M342-L349 HydrophobicContact CB-CD2 4.1Å; T343-L349 HydrophobicContact CG2-CD2 3.83Å; T343-L349 HydrophobicContact CG2-CG 4.21Å; L349-I353 HydrophobicContact CD2-CD1 4.41Å; L349-M354 HydrophobicContact CB-SD 4.06Å; L349-M354 HydrophobicContact CD1-SD 4.06Å; L349-R362 HydrophobicContact CD1-CG 4.45Å; L349-I366 HydrophobicContact CD1-CD1 3.97Å; L349-I366 HydrophobicContact CD2-CD1 4.43Å; L349-I366 HydrophobicContact CD2-CG1 4.36Å
350P94.4Very high91.7Very high0 Ų066.6 Ų66.60%035%0.346CS..PPolyproline II helixtrans-57.3138.6176.1-18.823.1000112.8Y315 L318 Q319 M342 G352 I353 M354Y315-P350 HydrophobicContact CD2-CB 4.45Å; Y315-P350 HydrophobicContact CD2-CG 3.51Å; Y315-P350 HydrophobicContact CE2-CB 4.39Å; Y315-P350 HydrophobicContact CE2-CG 3.76Å; Y315-P350 HydrophobicContact CG-CG 3.96Å; L318-P350 HydrophobicContact CB-CB 3.68Å; L318-P350 HydrophobicContact CB-CG 3.71Å; L318-P350 HydrophobicContact CD1-CG 4.34Å; Q319-P350 VanDerWaalsContact OE1-CA 3.22Å; M342-P350 WeakPolarHBondContact O-CD 3.41Å; P350-G352 VanDerWaalsContact C-N 3.3Å; P350-G352 PolarHBondContact O-N 3.22Å; P350-I353 HydrophobicContact CB-CG1 4.23Å; P350-I353 HydrophobicContact CG-CD1 4.2Å; P350-I353 HydrophobicContact CG-CG1 4.43Å; P350-I353 WeakPolarHBondContact O-CG1 3.4Å; P350-I353 PolarHBondContact O-N 3.01Å; P350-M354 WeakPolarHBondContact O-CG 3.31Å
351A93.3Very high91.9Very high56 Ų5667.7 Ų67.746%0.46335%0.352SS..G310 helixtrans-62.9-34.4-174.900000113.3I353 M354A351-I353 VanDerWaalsContact C-N 3.3Å; A351-I353 PolarHBondContact O-N 3.41Å; A351-M354 WeakPolarHBondContact O-CB 3.33Å; A351-M354 PolarHBondContact O-N 3.16Å; A351-M354 VanDerWaalsContact O-N 3.14Å
352G89.9Confident92.1Very high4 Ų466.7 Ų66.74%0.04135%0.348CS..G310 helixtrans-65.2-30.8-175.700000113.7L318 Q319 P350 F358L318-G352 WeakPolarHBondContact O-CA 3.48Å; L318-G352 PolarHBondContact O-N 3.31Å; Q319-G352 PolarHBondContact O-N 3.37Å; P350-G352 VanDerWaalsContact C-N 3.3Å; P350-G352 PolarHBondContact O-N 3.22Å; G352-F358 WeakPolarHBondContact O-CD2 3.33Å
353I92Very high92.2Very high0 Ų070 Ų700%037%0.366CS..G310 helixtrans-88.7-4.2177.263.1170.4000113.6L318 V324 M342 L349 P350 A351 L355 R362L318-I353 HydrophobicContact CB-CG2 4.01Å; L318-I353 HydrophobicContact CD1-CG2 4.43Å; L318-I353 HydrophobicContact CD2-CG2 3.8Å; L318-I353 HydrophobicContact CG-CG2 4.29Å; V324-I353 HydrophobicContact CG1-CG2 4.46Å; V324-I353 HydrophobicContact CG2-CG2 4.13Å; M342-I353 HydrophobicContact CE-CD1 3.73Å; L349-I353 HydrophobicContact CD2-CD1 4.41Å; P350-I353 HydrophobicContact CB-CG1 4.23Å; P350-I353 HydrophobicContact CG-CD1 4.2Å; P350-I353 HydrophobicContact CG-CG1 4.43Å; P350-I353 WeakPolarHBondContact O-CG1 3.4Å; P350-I353 PolarHBondContact O-N 3.01Å; A351-I353 VanDerWaalsContact C-N 3.3Å; A351-I353 PolarHBondContact O-N 3.41Å; I353-L355 VanDerWaalsContact C-N 3.27Å; I353-R362 HydrophobicContact CB-CB 4.43Å; I353-R362 HydrophobicContact CD1-CB 4.47Å; I353-R362 HydrophobicContact CD1-CG 4.08Å; I353-R362 HydrophobicContact CG1-CG 4.5Å
354M92.3Very high92.2Very high100 Ų10069.9 Ų69.949%0.49337%0.365SS..G310 helixtrans-80-11.9177.1-67.6-65-81.300112.7L349 P350 A351L349-M354 HydrophobicContact CB-SD 4.06Å; L349-M354 HydrophobicContact CD1-SD 4.06Å; P350-M354 WeakPolarHBondContact O-CG 3.31Å; A351-M354 WeakPolarHBondContact O-CB 3.33Å; A351-M354 PolarHBondContact O-N 3.16Å; A351-M354 VanDerWaalsContact O-N 3.14Å
355L90.9Very high92.1Very high70 Ų7069.4 Ų69.437%0.36636%0.363SS..SBendtrans-63.6143.8174.8-62.9174.1000111.1S321 I353 E357 F358S321-L355 VanDerWaalsContact CB-CD1 3.47Å; I353-L355 VanDerWaalsContact C-N 3.27Å; L355-E357 HydrophobicContact CB-CG 3.98Å; L355-E357 PolarHBondContact O-N 3.15Å; L355-E357 VanDerWaalsContact O-N 3.11Å; L355-F358 HydrophobicContact CB-CD2 4.14Å; L355-F358 HydrophobicContact CD1-CD2 4.46Å; L355-F358 HydrophobicContact CD1-CE2 4.21Å; L355-F358 PolarHBondContact O-N 2.94Å
356P90.1Very high91.9Very high119 Ų11966.7 Ų66.777%0.77335%0.348SS*.G310 helixtrans-55.1-33.5-179-26.334.3000113.8F358 R359P356-F358 PolarHBondContact O-N 3.28Å; P356-R359 WeakPolarHBondContact O-CB 3.37Å; P356-R359 PolarHBondContact O-N 3.25Å
357E92.3Very high91.7Very high109 Ų10965.9 Ų65.951%0.50934%0.342SS..G310 helixtrans-61.4-25.6179.964-176.5-154.100113.7R325 L355R325-E357 IonicContact CZ-OE1 3.34Å; R325-E357 IonicContact NE-OE1 2.62Å; R325-E357 IonicContact NH2-OE1 3.14Å; R325-E357 PolarHBondContact NH2-OE1 3.42Å; R325-E357 IonicContact NH2-OE2 3.75Å; R325-E357 PolarHBondContact NH2-OE2 3.37Å; L355-E357 HydrophobicContact CB-CG 3.98Å; L355-E357 PolarHBondContact O-N 3.15Å; L355-E357 VanDerWaalsContact O-N 3.11Å
358F91.4Very high91.4Very high24 Ų2468.3 Ų68.311%0.10534%0.34CS..G310 helixtrans-105.414.4-178.5-58.6-60.7000113.9V324 R325 G352 L355 P356 F360 L361 R362V324-F358 HydrophobicContact CB-CD1 4.39Å; V324-F358 HydrophobicContact CB-CE1 3.98Å; V324-F358 HydrophobicContact CB-CE2 4.22Å; V324-F358 HydrophobicContact CB-CZ 3.89Å; V324-F358 HydrophobicContact CG1-CD1 3.56Å; V324-F358 HydrophobicContact CG1-CD2 4.33Å; V324-F358 HydrophobicContact CG1-CE1 3.56Å; V324-F358 HydrophobicContact CG1-CE2 4.33Å; V324-F358 HydrophobicContact CG1-CG 3.97Å; V324-F358 HydrophobicContact CG1-CZ 3.96Å; R325-F358 HydrophobicContact CG-CE1 4.38Å; R325-F358 HydrophobicContact CG-CZ 3.99Å; G352-F358 WeakPolarHBondContact O-CD2 3.33Å; L355-F358 HydrophobicContact CB-CD2 4.14Å; L355-F358 HydrophobicContact CD1-CD2 4.46Å; L355-F358 HydrophobicContact CD1-CE2 4.21Å; L355-F358 PolarHBondContact O-N 2.94Å; P356-F358 PolarHBondContact O-N 3.28Å; F358-F360 VanDerWaalsContact C-N 3.34Å; F358-F360 PolarHBondContact O-N 3.36Å; F358-L361 HydrophobicContact CD1-CD2 4.36Å; F358-L361 PolarHBondContact O-N 2.85Å; F358-R362 WeakPolarHBondContact O-CB 3.34Å; F358-R362 PolarHBondContact O-N 3.12Å
359R92.4Very high91.1Very high163 Ų16366.3 Ų66.362%0.61533%0.334SS*.Hα-helixtrans-51.7-49.9-178.1177.6174.6-179.4174.60.9112.8P356 L361 R362 D363P356-R359 WeakPolarHBondContact O-CB 3.37Å; P356-R359 PolarHBondContact O-N 3.25Å; R359-L361 PolarHBondContact O-N 3.28Å; R359-R362 PolarHBondContact O-N 3.36Å; R359-D363 PolarHBondContact O-N 2.93Å
360F91.3Very high90.6Very high171 Ų17171.3 Ų71.375%0.7536%0.356SS*.Hα-helixtrans-63.4-43.3-179-178.4-95.7000112.4F358 D363 T364F358-F360 VanDerWaalsContact C-N 3.34Å; F358-F360 PolarHBondContact O-N 3.36Å; F360-D363 PolarHBondContact O-N 3.02Å; F360-T364 WeakPolarHBondContact O-CB 3.46Å; F360-T364 PolarHBondContact O-N 2.86Å; F360-T364 PolarHBondContact O-OG1 3.1Å
361L91.1Very high90Very high46 Ų4677.7 Ų77.724%0.24138%0.384CS..Hα-helixtrans-62.3-47.2176.8177.166.8000110.9V324 L330 F358 R359 D363 T364 L365V324-L361 HydrophobicContact CG1-CD2 3.24Å; L330-L361 HydrophobicContact CD2-CD1 4.26Å; L330-L361 HydrophobicContact CD2-CD2 3.91Å; F358-L361 HydrophobicContact CD1-CD2 4.36Å; F358-L361 PolarHBondContact O-N 2.85Å; R359-L361 PolarHBondContact O-N 3.28Å; L361-D363 PolarHBondContact O-N 3.34Å; L361-T364 WeakPolarHBondContact O-CB 3.43Å; L361-T364 PolarHBondContact O-N 3.01Å; L361-L365 HydrophobicContact CD1-CD1 4.1Å; L361-L365 HydrophobicContact CD1-CG 4.12Å; L361-L365 HydrophobicContact CG-CD1 3.95Å; L361-L365 HydrophobicContact CG-CG 4.32Å; L361-L365 VanDerWaalsContact O-CG 3.3Å; L361-L365 WeakPolarHBondContact O-CG 3.16Å; L361-L365 PolarHBondContact O-N 2.87Å
362R92.7Very high89.1Confident49 Ų4980.4 Ų80.419%0.18540%0.397CS..Hα-helixtrans-55.6-50.8177.6178.2-174.367.2-160.4-0.2111.2L349 I353 F358 R359 T364 L365 I366L349-R362 HydrophobicContact CD1-CG 4.45Å; I353-R362 HydrophobicContact CB-CB 4.43Å; I353-R362 HydrophobicContact CD1-CB 4.47Å; I353-R362 HydrophobicContact CD1-CG 4.08Å; I353-R362 HydrophobicContact CG1-CG 4.5Å; F358-R362 WeakPolarHBondContact O-CB 3.34Å; F358-R362 PolarHBondContact O-N 3.12Å; R359-R362 PolarHBondContact O-N 3.36Å; R362-T364 VanDerWaalsContact C-N 3.27Å; R362-T364 PolarHBondContact O-N 2.69Å; R362-L365 PolarHBondContact O-N 2.95Å; R362-I366 HydrophobicContact CG-CD1 3.81Å; R362-I366 VanDerWaalsContact O-CG1 3.28Å; R362-I366 WeakPolarHBondContact O-CG1 3.37Å; R362-I366 PolarHBondContact O-N 3.36Å
363D91.9Very high88.4Confident75 Ų7583.5 Ų83.540%0.40141%0.412SS..Hα-helixtrans-64.2-36.7-177.6-61.1-11.2000110.7R359 F360 L361 K367R359-D363 PolarHBondContact O-N 2.93Å; F360-D363 PolarHBondContact O-N 3.02Å; L361-D363 PolarHBondContact O-N 3.34Å; D363-K367 WeakPolarHBondContact O-CB 3.24Å; D363-K367 PolarHBondContact O-N 3.45Å
364T91.1Very high88Confident47 Ų4787 Ų8729%0.28844%0.437SS..Hα-helixtrans-64.2-47.4174.1-57.50000112.2F360 L361 R362 K367 Q368F360-T364 WeakPolarHBondContact O-CB 3.46Å; F360-T364 PolarHBondContact O-N 2.86Å; F360-T364 PolarHBondContact O-OG1 3.1Å; L361-T364 WeakPolarHBondContact O-CB 3.43Å; L361-T364 PolarHBondContact O-N 3.01Å; R362-T364 VanDerWaalsContact C-N 3.27Å; R362-T364 PolarHBondContact O-N 2.69Å; T364-K367 PolarHBondContact O-N 3.38Å; T364-Q368 WeakPolarHBondContact O-CG 3.49Å; T364-Q368 PolarHBondContact O-N 2.69Å
365L90.4Very high87.3Confident2 Ų288.7 Ų88.71%0.0145%0.447CS..Hα-helixtrans-65.6-38.8179.6-68.7176.9000112.2L318 L334 L340 M342 L361 R362 Q368 S369L318-L365 HydrophobicContact CD1-CD1 4.05Å; L318-L365 HydrophobicContact CD2-CD1 4.39Å; L334-L365 HydrophobicContact CD1-CD2 3.65Å; L334-L365 HydrophobicContact CD2-CD2 3.7Å; L334-L365 HydrophobicContact CG-CD2 4.34Å; L340-L365 HydrophobicContact CD2-CD2 4.4Å; M342-L365 HydrophobicContact CE-CB 3.56Å; M342-L365 HydrophobicContact CE-CD1 3.76Å; M342-L365 HydrophobicContact CE-CG 4.28Å; M342-L365 HydrophobicContact SD-CB 3.91Å; M342-L365 HydrophobicContact SD-CD1 4.44Å; L361-L365 HydrophobicContact CD1-CD1 4.1Å; L361-L365 HydrophobicContact CD1-CG 4.12Å; L361-L365 HydrophobicContact CG-CD1 3.95Å; L361-L365 HydrophobicContact CG-CG 4.32Å; L361-L365 VanDerWaalsContact O-CG 3.3Å; L361-L365 WeakPolarHBondContact O-CG 3.16Å; L361-L365 PolarHBondContact O-N 2.87Å; R362-L365 PolarHBondContact O-N 2.95Å; L365-Q368 PolarHBondContact O-N 3.19Å; L365-S369 WeakPolarHBondContact O-CB 3.42Å; L365-S369 PolarHBondContact O-N 2.84Å
366I89.4Confident86.7Confident46 Ų4691.1 Ų91.124%0.23646%0.457CS..Hα-helixtrans-61-48.8173.7-69167.6000109.8L349 R362 Q368 S369 Q370L349-I366 HydrophobicContact CD1-CD1 3.97Å; L349-I366 HydrophobicContact CD2-CD1 4.43Å; L349-I366 HydrophobicContact CD2-CG1 4.36Å; R362-I366 HydrophobicContact CG-CD1 3.81Å; R362-I366 VanDerWaalsContact O-CG1 3.28Å; R362-I366 WeakPolarHBondContact O-CG1 3.37Å; R362-I366 PolarHBondContact O-N 3.36Å; I366-Q368 VanDerWaalsContact C-N 3.29Å; I366-Q368 PolarHBondContact O-N 3.29Å; I366-S369 PolarHBondContact O-N 3.1Å; I366-S369 VanDerWaalsContact O-N 3.14Å; I366-S369 PolarHBondContact O-OG 3.12Å; I366-Q370 WeakPolarHBondContact O-CG 3.35Å; I366-Q370 PolarHBondContact O-N 3.04Å
367K89.4Confident86.1Confident131 Ų13186.4 Ų86.457%0.5743%0.429SS*.Hα-helixtrans-60.5-38.2177.5-171.5177.9-1761780112.4D363 T364 K371D363-K367 WeakPolarHBondContact O-CB 3.24Å; D363-K367 PolarHBondContact O-N 3.45Å; T364-K367 PolarHBondContact O-N 3.38Å; K367-K371 WeakPolarHBondContact O-CG 3.2Å
368Q85.6Confident85.4Confident99 Ų9983 Ų8346%0.46341%0.414SS..Hα-helixtrans-67.7-38.7175.2-74.8179.8-6.300112.3L340 T364 L365 I366 Q370 K371L340-Q368 HydrophobicContact CD2-CB 4.05Å; T364-Q368 WeakPolarHBondContact O-CG 3.49Å; T364-Q368 PolarHBondContact O-N 2.69Å; L365-Q368 PolarHBondContact O-N 3.19Å; I366-Q368 VanDerWaalsContact C-N 3.29Å; I366-Q368 PolarHBondContact O-N 3.29Å; Q368-Q370 VanDerWaalsContact C-N 3.25Å; Q368-Q370 PolarHBondContact O-N 3.32Å; Q368-K371 PolarHBondContact O-N 3.33Å
369S86.2Confident84.7Confident44 Ų4484.7 Ų84.731%0.30843%0.428SS..Hα-helixtrans-64.7-29.1178.473.10000113.4L340 L365 I366L340-S369 VanDerWaalsContact O-CB 3.26Å; L340-S369 WeakPolarHBondContact O-CB 3.36Å; L365-S369 WeakPolarHBondContact O-CB 3.42Å; L365-S369 PolarHBondContact O-N 2.84Å; I366-S369 PolarHBondContact O-N 3.1Å; I366-S369 VanDerWaalsContact O-N 3.14Å; I366-S369 PolarHBondContact O-OG 3.12Å
370Q85.3Confident84.1Confident142 Ų14279.3 Ų79.366%0.66441%0.409SS*.THydrogen-bonded Turntrans-83.5-12.3179.6-68.3174.1-8.700113.7I366 Q368 P372I366-Q370 WeakPolarHBondContact O-CG 3.35Å; I366-Q370 PolarHBondContact O-N 3.04Å; Q368-Q370 VanDerWaalsContact C-N 3.25Å; Q368-Q370 PolarHBondContact O-N 3.32Å; Q370-P372 WeakPolarHBondContact O-CD 3.42Å
371K81.3Confident83.4Confident135 Ų13573.5 Ų73.559%0.58738%0.382SS*.SBendtrans-97.9100.6-179.5-74.9-177.3176.3-167.20110.1K367 Q368 L373K367-K371 WeakPolarHBondContact O-CG 3.2Å; Q368-K371 PolarHBondContact O-N 3.33Å; K371-L373 PolarHBondContact O-N 2.72Å
372P74.1Confident82.6Confident112 Ų11274.8 Ų74.873%0.72739%0.389SS*.PPolyproline II helixtrans-6313717526.5-33.1000110Q370Q370-P372 WeakPolarHBondContact O-CD 3.42Å
373L76.3Confident81.8Confident69 Ų6974.6 Ų74.636%0.36139%0.392SS..PPolyproline II helixtrans-69.3149.1171.1-73.5173000109.3Y338 K371 I378Y338-L373 HydrophobicContact CD2-CD1 3.48Å; Y338-L373 VanDerWaalsContact CD2-CD1 3.48Å; Y338-L373 HydrophobicContact CD2-CG 4.07Å; Y338-L373 HydrophobicContact CE2-CB 3.76Å; Y338-L373 HydrophobicContact CE2-CD1 3.48Å; Y338-L373 VanDerWaalsContact CE2-CD1 3.48Å; Y338-L373 HydrophobicContact CE2-CG 3.56Å; Y338-L373 HydrophobicContact CG-CD1 4.12Å; Y338-L373 PolarHBondContact OH-N 2.94Å; Y338-L373 VanDerWaalsContact OH-N 3.08Å; K371-L373 PolarHBondContact O-N 2.72Å; L373-I378 HydrophobicContact CB-CG1 3.83Å
374S82.3Confident81Confident74 Ų7473.3 Ų73.352%0.51738%0.381SS..PPolyproline II helixtrans-58.8150.6167.767.70000109.9Q376 G377 I378S374-Q376 PolarHBondContact O-N 3.31Å; S374-Q376 VanDerWaalsContact O-N 3.1Å; S374-G377 WeakPolarHBondContact O-CA 3.25Å; S374-G377 PolarHBondContact O-N 3.43Å; S374-G377 PolarHBondContact OG-N 2.96Å; S374-I378 WeakPolarHBondContact O-CG1 3.38Å; S374-I378 PolarHBondContact O-N 3.14Å
375L77.1Confident80.1Confident135 Ų13573.4 Ų73.471%0.70738%0.38SS*.Hα-helixtrans-50.7-40.2177.2-176.666.3000111.5G377 I378 C379L375-G377 PolarHBondContact O-N 3.46Å; L375-I378 WeakPolarHBondContact O-CB 3.22Å; L375-I378 PolarHBondContact O-N 3.32Å; L375-C379 PolarHBondContact O-N 2.98Å; L375-C379 PolarHBondContact O-SG 2.68Å
376Q79.1Confident79Confident122 Ų12278.6 Ų78.657%0.5741%0.407SS*.Hα-helixtrans-59.5-44.9174.3-165.9-170.919.500112.4S374 C379 K380S374-Q376 PolarHBondContact O-N 3.31Å; S374-Q376 VanDerWaalsContact O-N 3.1Å; Q376-C379 PolarHBondContact O-N 3Å; Q376-K380 VanDerWaalsContact O-CG 3.26Å; Q376-K380 WeakPolarHBondContact O-CG 3.26Å; Q376-K380 PolarHBondContact O-N 3.47Å
377G78.6Confident78.1Confident19 Ų1981.4 Ų81.420%0.19642%0.415CS..Hα-helixtrans-62.8-40.5175.800000112.8S374 L375 K380 R381S374-G377 WeakPolarHBondContact O-CA 3.25Å; S374-G377 PolarHBondContact O-N 3.43Å; S374-G377 PolarHBondContact OG-N 2.96Å; L375-G377 PolarHBondContact O-N 3.46Å; G377-K380 PolarHBondContact O-N 2.7Å; G377-R381 WeakPolarHBondContact O-CB 3.27Å; G377-R381 PolarHBondContact O-N 2.83Å
378I76.9Confident77.1Confident39 Ų3976.6 Ų76.620%0.240%0.402CS..Hα-helixtrans-61.7-49.4174.8-56.8174.6000110.2Y338 L373 S374 L375 K380 R381 N382Y338-I378 HydrophobicContact CD1-CG1 4.21Å; Y338-I378 HydrophobicContact CD1-CG2 4.18Å; Y338-I378 HydrophobicContact CE1-CB 4.26Å; Y338-I378 HydrophobicContact CE1-CD1 3.59Å; Y338-I378 HydrophobicContact CE1-CG1 3.41Å; Y338-I378 VanDerWaalsContact CE1-CG1 3.41Å; Y338-I378 HydrophobicContact CE1-CG2 3.98Å; Y338-I378 WeakPolarHBondContact OH-CD1 3.45Å; L373-I378 HydrophobicContact CB-CG1 3.83Å; S374-I378 WeakPolarHBondContact O-CG1 3.38Å; S374-I378 PolarHBondContact O-N 3.14Å; L375-I378 WeakPolarHBondContact O-CB 3.22Å; L375-I378 PolarHBondContact O-N 3.32Å; I378-K380 PolarHBondContact O-N 2.9Å; I378-R381 PolarHBondContact O-N 3.47Å; I378-N382 WeakPolarHBondContact O-CB 3.47Å; I378-N382 PolarHBondContact O-N 3.34Å
379C76.3Confident76.2Confident59 Ų5977.3 Ų77.340%0.39941%0.406SS..Hα-helixtrans-60.7-46.4178.9-68.60000111.9L375 Q376 R381 N382 I383L375-C379 PolarHBondContact O-N 2.98Å; L375-C379 PolarHBondContact O-SG 2.68Å; Q376-C379 PolarHBondContact O-N 3Å; C379-R381 VanDerWaalsContact C-N 3.28Å; C379-R381 PolarHBondContact O-N 3.44Å; C379-N382 PolarHBondContact O-N 3.47Å; C379-I383 VanDerWaalsContact O-CG1 3.23Å; C379-I383 WeakPolarHBondContact O-CG1 3.37Å; C379-I383 PolarHBondContact O-N 2.89Å
380K78.7Confident75.3Confident50 Ų5083.7 Ų83.722%0.21743%0.428CS..Hα-helixtrans-55.8-45.4175.9-73.3174.9-175.5-149.20111.6Q376 G377 I378 I383 R384 S406 V407Q376-K380 VanDerWaalsContact O-CG 3.26Å; Q376-K380 WeakPolarHBondContact O-CG 3.26Å; Q376-K380 PolarHBondContact O-N 3.47Å; G377-K380 PolarHBondContact O-N 2.7Å; I378-K380 PolarHBondContact O-N 2.9Å; K380-I383 PolarHBondContact O-N 3.15Å; K380-R384 WeakPolarHBondContact O-CB 3.38Å; K380-R384 PolarHBondContact O-N 2.99Å; K380-S406 VanDerWaalsContact CD-O 3.28Å; K380-S406 WeakPolarHBondContact CD-O 3.45Å; K380-S406 WeakPolarHBondContact CE-O 3.5Å; K380-S406 WeakPolarHBondContact CE-OG 3.44Å; K380-S406 PolarHBondContact NZ-O 2.94Å; K380-S406 PolarHBondContact NZ-OG 3.43Å; K380-V407 HydrophobicContact CG-CG2 4.2Å
381R76.8Confident74.6Confident48 Ų4882.5 Ų82.518%0.18142%0.418CS..Hα-helixtrans-66.5-44.3-178.9-159.1177.2-161.8163.17111.8L334 Y335 T337 G377 I378 C379 R384 N385L334-R381 PolarHBondContact O-NH2 3.39Å; Y335-R381 VanDerWaalsContact C-NH2 3.25Å; Y335-R381 VanDerWaalsContact CA-NH2 3.31Å; Y335-R381 PolarHBondContact O-NE 3.13Å; Y335-R381 PolarHBondContact O-NH2 3.06Å; T337-R381 PolarHBondContact O-NH1 3.26Å; T337-R381 PolarHBondContact O-NH2 3.2Å; G377-R381 WeakPolarHBondContact O-CB 3.27Å; G377-R381 PolarHBondContact O-N 2.83Å; I378-R381 PolarHBondContact O-N 3.47Å; C379-R381 VanDerWaalsContact C-N 3.28Å; C379-R381 PolarHBondContact O-N 3.44Å; R381-R384 PolarHBondContact O-N 3.09Å; R381-N385 WeakPolarHBondContact O-CB 3.27Å; R381-N385 PolarHBondContact O-N 3.17Å
382N75.5Confident74.4Confident73 Ų7378.4 Ų78.439%0.3940%0.4SS..Hα-helixtrans-62.4-44.9176-76.3-11.8000111.9I378 C379 R384 N385 I386I378-N382 WeakPolarHBondContact O-CB 3.47Å; I378-N382 PolarHBondContact O-N 3.34Å; C379-N382 PolarHBondContact O-N 3.47Å; N382-R384 PolarHBondContact O-N 3.01Å; N382-N385 PolarHBondContact O-N 3.3Å; N382-I386 VanDerWaalsContact O-CG1 3.32Å; N382-I386 WeakPolarHBondContact O-CG1 3.25Å; N382-I386 PolarHBondContact O-N 3.34Å
383I76.1Confident74.6Confident46 Ų4679.1 Ų79.124%0.23639%0.394CS..Hα-helixtrans-60.3-47.5176.4-66.1164.7000109.9C379 K380 N385 I386 Y387 L395 V407C379-I383 VanDerWaalsContact O-CG1 3.23Å; C379-I383 WeakPolarHBondContact O-CG1 3.37Å; C379-I383 PolarHBondContact O-N 2.89Å; K380-I383 PolarHBondContact O-N 3.15Å; I383-N385 VanDerWaalsContact C-N 3.32Å; I383-N385 PolarHBondContact O-N 3.36Å; I383-I386 PolarHBondContact O-N 3.11Å; I383-Y387 HydrophobicContact CG2-CD2 3.94Å; I383-Y387 HydrophobicContact CG2-CE2 4.49Å; I383-Y387 WeakPolarHBondContact O-CD2 3.03Å; I383-Y387 PolarHBondContact O-N 3.35Å; I383-L395 HydrophobicContact CG2-CD1 4.31Å; I383-V407 HydrophobicContact CB-CG1 4.23Å; I383-V407 HydrophobicContact CD1-CG2 4.09Å; I383-V407 HydrophobicContact CG2-CG1 3.81Å; I383-V407 HydrophobicContact CG2-CG2 4.48Å
384R74Confident74.7Confident47 Ų4781 Ų8118%0.17740%0.401CS..Hα-helixtrans-63.9-34.8176.5-78.1-168.9170165.4-3.2113.2Y335 K380 R381 N382 G388 V407 Y408Y335-R384 WeakPolarHBondContact OH-CD 3.45Å; Y335-R384 PolarHBondContact OH-NH1 2.84Å; K380-R384 WeakPolarHBondContact O-CB 3.38Å; K380-R384 PolarHBondContact O-N 2.99Å; R381-R384 PolarHBondContact O-N 3.09Å; N382-R384 PolarHBondContact O-N 3.01Å; R384-G388 WeakPolarHBondContact O-CA 3.36Å; R384-G388 PolarHBondContact O-N 3.11Å; R384-V407 HydrophobicContact CG-CG1 3.76Å; R384-V407 PolarHBondContact NE-O 2.91Å; R384-V407 PolarHBondContact NH2-O 3.26Å; R384-Y408 HydrophobicContact CG-CE1 4.12Å
385N72Confident74.4Confident49 Ų4978.1 Ų78.126%0.26238%0.379SS..Hα-helixtrans-70.1-39177.8-78.3-12.1000112.3H336 R381 N382 I383H336-N385 PolarHBondContact ND1-OD1 3.36Å; H336-N385 PolarHBondContact O-ND2 3.05Å; H336-N385 VanDerWaalsContact O-ND2 3.11Å; R381-N385 WeakPolarHBondContact O-CB 3.27Å; R381-N385 PolarHBondContact O-N 3.17Å; N382-N385 PolarHBondContact O-N 3.3Å; I383-N385 VanDerWaalsContact C-N 3.32Å; I383-N385 PolarHBondContact O-N 3.36Å
386I69.1Low74.6Confident111 Ų11177 Ų7757%0.56937%0.369SS*.Hα-helixtrans-75.9-47.7-179.2-66.6167.3000111N382 I383N382-I386 VanDerWaalsContact O-CG1 3.32Å; N382-I386 WeakPolarHBondContact O-CG1 3.25Å; N382-I386 PolarHBondContact O-N 3.34Å; I383-I386 PolarHBondContact O-N 3.11Å
387Y69.5Low74.8Confident106 Ų10678.8 Ų78.842%0.41638%0.377SS..Hα-helixtrans-98.3-10.6-171.3-62.6-77.2000113.5I383 Y391 L395I383-Y387 HydrophobicContact CG2-CD2 3.94Å; I383-Y387 HydrophobicContact CG2-CE2 4.49Å; I383-Y387 WeakPolarHBondContact O-CD2 3.03Å; I383-Y387 PolarHBondContact O-N 3.35Å; Y387-Y391 WeakPolarHBondContact O-CB 3.37Å; Y387-Y391 WeakPolarHBondContact O-CD2 3.41Å; Y387-Y391 PolarHBondContact O-N 3.4Å; Y387-L395 HydrophobicContact CD1-CD1 4.23Å; Y387-L395 HydrophobicContact CD1-CD2 4.41Å; Y387-L395 HydrophobicContact CD1-CG 4.49Å; Y387-L395 HydrophobicContact CD2-CD1 3.88Å; Y387-L395 HydrophobicContact CD2-CD2 4.49Å; Y387-L395 HydrophobicContact CG-CD1 3.59Å; Y387-L395 HydrophobicContact CG-CD2 4.39Å; Y387-L395 HydrophobicContact CG-CG 4.31Å
388G67.7Low75Confident29 Ų2983.4 Ų83.430%0.29940%0.397SS..THydrogen-bonded Turntrans54.2-162.6178.900000113.9R384 Y408R384-G388 WeakPolarHBondContact O-CA 3.36Å; R384-G388 PolarHBondContact O-N 3.11Å; G388-Y408 WeakPolarHBondContact O-CE1 3.3Å; G388-Y408 PolarHBondContact O-OH 2.94Å
389E67.1Low75.1Confident115 Ų11583.6 Ų83.654%0.53740%0.398SS..THydrogen-bonded Turntrans-81.5-22.5166.9-73.5-66.9132.900111.9Y391 K392E389-Y391 VanDerWaalsContact C-N 3.34Å; E389-Y391 PolarHBondContact O-N 2.92Å; E389-K392 WeakPolarHBondContact O-CB 3.31Å; E389-K392 PolarHBondContact O-N 2.99Å; E389-K392 IonicContact OE1-NZ 3.86Å; E389-K392 WeakPolarHBondContact OE2-CD 3.27Å; E389-K392 IonicContact OE2-NZ 2.87Å; E389-K392 PolarHBondContact OE2-NZ 2.84Å
390K67Low75.5Confident177 Ų17784.3 Ų84.377%0.7740%0.402SS*.THydrogen-bonded Turntrans-61.9-38.9-176.8-171.6-179.3178.6-173.50112.7
391Y71.7Confident75.5Confident117 Ų11786.9 Ų86.946%0.45942%0.421SS..THydrogen-bonded Turntrans-97.89.8179.7-57.7-72.9000113.3Y387 E389 Q393 H394 L395Y387-Y391 WeakPolarHBondContact O-CB 3.37Å; Y387-Y391 WeakPolarHBondContact O-CD2 3.41Å; Y387-Y391 PolarHBondContact O-N 3.4Å; E389-Y391 VanDerWaalsContact C-N 3.34Å; E389-Y391 PolarHBondContact O-N 2.92Å; Y391-Q393 VanDerWaalsContact C-N 3.35Å; Y391-Q393 PolarHBondContact O-N 2.82Å; Y391-H394 WeakPolarHBondContact O-CB 3.17Å; Y391-H394 PolarHBondContact O-N 2.78Å; Y391-H394 VanDerWaalsContact O-N 3.12Å; Y391-L395 PolarHBondContact O-N 2.61Å
392K76.7Confident75.6Confident49 Ų4989.8 Ų89.821%0.21345%0.445CS..Hα-helixtrans-56.6-42.9-177.7175.4172.6179.3174.70113.8E389 K396 W404 Y408E389-K392 WeakPolarHBondContact O-CB 3.31Å; E389-K392 PolarHBondContact O-N 2.99Å; E389-K392 IonicContact OE1-NZ 3.86Å; E389-K392 WeakPolarHBondContact OE2-CD 3.27Å; E389-K392 IonicContact OE2-NZ 2.87Å; E389-K392 PolarHBondContact OE2-NZ 2.84Å; K392-K396 PolarHBondContact O-N 2.83Å; K392-W404 HydrophobicContact CD-CZ2 4.47Å; K392-W404 HydrophobicContact CG-CZ2 3.8Å; K392-W404 PolarHBondContact O-NE1 3.12Å; K392-Y408 HydrophobicContact CB-CD1 4.32Å; K392-Y408 HydrophobicContact CB-CE1 4.08Å; K392-Y408 HydrophobicContact CD-CD1 3.76Å; K392-Y408 HydrophobicContact CD-CE1 4.26Å; K392-Y408 HydrophobicContact CD-CG 4.23Å; K392-Y408 HydrophobicContact CG-CD1 3.85Å; K392-Y408 HydrophobicContact CG-CD2 4.46Å; K392-Y408 HydrophobicContact CG-CE1 4.11Å; K392-Y408 HydrophobicContact CG-CG 4.03Å
393Q77.3Confident75.6Confident128 Ų12890 Ų9060%0.59845%0.445SS*.Hα-helixtrans-70.2-36.7178.6-67.3-64.7-13.600111.7Y391 K396Y391-Q393 VanDerWaalsContact C-N 3.35Å; Y391-Q393 PolarHBondContact O-N 2.82Å; Q393-K396 WeakPolarHBondContact O-CB 3.4Å; Q393-K396 PolarHBondContact O-N 3.27Å
394H78.3Confident75.7Confident109 Ų10988.8 Ų88.851%0.50544%0.437SS..Hα-helixtrans-67.3-44176-164.866.9000111.1Y391 K396 Q397 L398Y391-H394 WeakPolarHBondContact O-CB 3.17Å; Y391-H394 PolarHBondContact O-N 2.78Å; Y391-H394 VanDerWaalsContact O-N 3.12Å; H394-K396 VanDerWaalsContact C-N 3.25Å; H394-K396 PolarHBondContact O-N 3.1Å; H394-Q397 WeakPolarHBondContact O-CB 3.47Å; H394-Q397 PolarHBondContact O-N 3.3Å; H394-Q397 VanDerWaalsContact O-N 3.11Å; H394-L398 PolarHBondContact O-N 3.38Å
395L77.9Confident75.8Confident12 Ų1289.9 Ų89.96%0.06345%0.447CS..Hα-helixtrans-64.8-26.5173.7-77.4176.8000113.4I383 Y387 Y391 Q397 L398 L399 Y408I383-L395 HydrophobicContact CG2-CD1 4.31Å; Y387-L395 HydrophobicContact CD1-CD1 4.23Å; Y387-L395 HydrophobicContact CD1-CD2 4.41Å; Y387-L395 HydrophobicContact CD1-CG 4.49Å; Y387-L395 HydrophobicContact CD2-CD1 3.88Å; Y387-L395 HydrophobicContact CD2-CD2 4.49Å; Y387-L395 HydrophobicContact CG-CD1 3.59Å; Y387-L395 HydrophobicContact CG-CD2 4.39Å; Y387-L395 HydrophobicContact CG-CG 4.31Å; Y391-L395 PolarHBondContact O-N 2.61Å; L395-Q397 PolarHBondContact O-N 3.21Å; L395-L398 PolarHBondContact O-N 3.25Å; L395-L399 HydrophobicContact CB-CD1 4.11Å; L395-L399 HydrophobicContact CD2-CD1 3.99Å; L395-L399 HydrophobicContact CD2-CG 4.2Å; L395-L399 HydrophobicContact CG-CD1 4.46Å; L395-L399 VanDerWaalsContact O-CB 3.3Å; L395-L399 WeakPolarHBondContact O-CB 3.21Å; L395-L399 PolarHBondContact O-N 3.16Å; L395-Y408 HydrophobicContact CB-CE2 4.42Å; L395-Y408 HydrophobicContact CD1-CE2 3.8Å; L395-Y408 VanDerWaalsContact CD1-OH 3.28Å; L395-Y408 WeakPolarHBondContact CD1-OH 3.18Å
396K80.7Confident76Confident111 Ų11189 Ų8948%0.48345%0.445SS..Hα-helixtrans-63.6-30.3173.9-164.6178.2179.9-176.20112.2K392 Q393 H394 W404K392-K396 PolarHBondContact O-N 2.83Å; Q393-K396 WeakPolarHBondContact O-CB 3.4Å; Q393-K396 PolarHBondContact O-N 3.27Å; H394-K396 VanDerWaalsContact C-N 3.25Å; H394-K396 PolarHBondContact O-N 3.1Å; K396-W404 HydrophobicContact CB-CD2 4.18Å; K396-W404 HydrophobicContact CB-CG 4.32Å; K396-W404 HydrophobicContact CB-CZ2 4.05Å; K396-W404 HydrophobicContact CD-CD2 4.46Å; K396-W404 HydrophobicContact CD-CH2 3.93Å; K396-W404 HydrophobicContact CD-CZ2 3.76Å; K396-W404 HydrophobicContact CD-CZ3 4.32Å; K396-W404 HydrophobicContact CG-CD2 3.85Å; K396-W404 HydrophobicContact CG-CE3 4.27Å; K396-W404 HydrophobicContact CG-CG 4.27Å; K396-W404 HydrophobicContact CG-CH2 4.36Å; K396-W404 HydrophobicContact CG-CZ2 3.92Å
397Q82.6Confident76.2Confident161 Ų16184 Ų8475%0.75242%0.419SS*.Hα-helixtrans-83.3-27.3178.6-63.3175.1-8.300112.2H394 L395H394-Q397 WeakPolarHBondContact O-CB 3.47Å; H394-Q397 PolarHBondContact O-N 3.3Å; H394-Q397 VanDerWaalsContact O-N 3.11Å; L395-Q397 PolarHBondContact O-N 3.21Å
398L82.3Confident76.2Confident115 Ų11579.3 Ų79.360%0.60240%0.401SS*.Hα-helixtrans-95.6-32.6-175.3-67.1171000114H394 L395H394-L398 PolarHBondContact O-N 3.38Å; L395-L398 PolarHBondContact O-N 3.25Å
399L79.8Confident76Confident44 Ų4481 Ų8123%0.2341%0.407CS..SBendtrans-94.5144.5-176.1-66.9174.1000111.5L395 V401 I403 W404L395-L399 HydrophobicContact CB-CD1 4.11Å; L395-L399 HydrophobicContact CD2-CD1 3.99Å; L395-L399 HydrophobicContact CD2-CG 4.2Å; L395-L399 HydrophobicContact CG-CD1 4.46Å; L395-L399 VanDerWaalsContact O-CB 3.3Å; L395-L399 WeakPolarHBondContact O-CB 3.21Å; L395-L399 PolarHBondContact O-N 3.16Å; L399-V401 PolarHBondContact O-N 2.96Å; L399-I403 HydrophobicContact CD1-CG2 4.41Å; L399-I403 HydrophobicContact CD2-CG2 4.43Å; L399-W404 HydrophobicContact CB-CB 4.23Å
400P84.9Confident75.2Confident74 Ų7479.2 Ų79.248%0.48141%0.406SS..  trans-51.8138.8166.4-25.233.5000111.3T402 I403 W404P400-T402 PolarHBondContact O-N 3.43Å; P400-T402 VanDerWaalsContact O-N 3.08Å; P400-I403 HydrophobicContact CB-CD1 4.44Å; P400-I403 HydrophobicContact CB-CG1 4.4Å; P400-I403 HydrophobicContact CG-CD1 4.09Å; P400-I403 PolarHBondContact O-N 3.07Å; P400-W404 PolarHBondContact O-N 3.38Å
401V79.1Confident74.1Confident103 Ų10380.6 Ų80.662%0.62441%0.408SS*.Hα-helixtrans-53-36.5-175.8177.30000112.3L399 N405L399-V401 PolarHBondContact O-N 2.96Å; V401-N405 WeakPolarHBondContact CG1-ND2 3.38Å; V401-N405 VanDerWaalsContact O-CB 3.23Å; V401-N405 WeakPolarHBondContact O-CB 3.4Å; V401-N405 PolarHBondContact O-N 3.46Å; V401-N405 PolarHBondContact O-ND2 3.28Å
402T78.7Confident72.3Confident109 Ų10981 Ų8167%0.66942%0.418SS*.Hα-helixtrans-63.4-44.4176.749.60000112.6P400 S406P400-T402 PolarHBondContact O-N 3.43Å; P400-T402 VanDerWaalsContact O-N 3.08Å; T402-S406 WeakPolarHBondContact O-CB 3.3Å; T402-S406 PolarHBondContact O-N 3.18Å
403I74.8Confident70.3Confident77 Ų7786 Ų8640%0.39545%0.446SS..Hα-helixtrans-71.1-44.5177.7-61.1179.9000109.7L399 P400 N405 S406 V407L399-I403 HydrophobicContact CD1-CG2 4.41Å; L399-I403 HydrophobicContact CD2-CG2 4.43Å; P400-I403 HydrophobicContact CB-CD1 4.44Å; P400-I403 HydrophobicContact CB-CG1 4.4Å; P400-I403 HydrophobicContact CG-CD1 4.09Å; P400-I403 PolarHBondContact O-N 3.07Å; I403-N405 PolarHBondContact O-N 3.48Å; I403-S406 WeakPolarHBondContact O-CB 3.43Å; I403-S406 PolarHBondContact O-N 3.11Å; I403-V407 HydrophobicContact CG2-CG2 4.23Å; I403-V407 WeakPolarHBondContact O-CB 3.32Å; I403-V407 VanDerWaalsContact O-CG2 3.26Å; I403-V407 WeakPolarHBondContact O-CG2 3.4Å; I403-V407 PolarHBondContact O-N 2.9Å
404W78.9Confident68Low22 Ų2285.6 Ų85.68%0.08345%0.453CS..Hα-helixtrans-60.8-45.6178.1-173.387.5000112K392 K396 L399 P400 S406 V407 Y408 C409K392-W404 HydrophobicContact CD-CZ2 4.47Å; K392-W404 HydrophobicContact CG-CZ2 3.8Å; K392-W404 PolarHBondContact O-NE1 3.12Å; K396-W404 HydrophobicContact CB-CD2 4.18Å; K396-W404 HydrophobicContact CB-CG 4.32Å; K396-W404 HydrophobicContact CB-CZ2 4.05Å; K396-W404 HydrophobicContact CD-CD2 4.46Å; K396-W404 HydrophobicContact CD-CH2 3.93Å; K396-W404 HydrophobicContact CD-CZ2 3.76Å; K396-W404 HydrophobicContact CD-CZ3 4.32Å; K396-W404 HydrophobicContact CG-CD2 3.85Å; K396-W404 HydrophobicContact CG-CE3 4.27Å; K396-W404 HydrophobicContact CG-CG 4.27Å; K396-W404 HydrophobicContact CG-CH2 4.36Å; K396-W404 HydrophobicContact CG-CZ2 3.92Å; L399-W404 HydrophobicContact CB-CB 4.23Å; P400-W404 PolarHBondContact O-N 3.38Å; W404-S406 VanDerWaalsContact C-N 3.33Å; W404-S406 PolarHBondContact O-N 3.05Å; W404-V407 PolarHBondContact O-N 2.77Å; W404-Y408 AromaticContact CD1-CD2 3.79Å; W404-Y408 HydrophobicContact CG-CD2 4.37Å; W404-Y408 AromaticContact NE1-CD2 3.67Å; W404-Y408 PolarHBondContact O-N 2.93Å; W404-C409 WeakPolarHBondContact CZ3-SG 3.42Å
405N76.9Confident65.7Low69 Ų6989.1 Ų89.137%0.36949%0.49SS..Hα-helixtrans-62.4-41.4174.5-75.5-20.2000111.6V401 I403 V407 C409V401-N405 WeakPolarHBondContact CG1-ND2 3.38Å; V401-N405 VanDerWaalsContact O-CB 3.23Å; V401-N405 WeakPolarHBondContact O-CB 3.4Å; V401-N405 PolarHBondContact O-N 3.46Å; V401-N405 PolarHBondContact O-ND2 3.28Å; I403-N405 PolarHBondContact O-N 3.48Å; N405-V407 VanDerWaalsContact C-N 3.28Å; N405-V407 PolarHBondContact O-N 2.99Å; N405-C409 HydrophobicContact CB-CB 4.18Å; N405-C409 WeakPolarHBondContact O-CA 3.34Å; N405-C409 VanDerWaalsContact O-CB 3.25Å; N405-C409 WeakPolarHBondContact O-CB 3.45Å; N405-C409 PolarHBondContact O-N 2.85Å; N405-C409 PolarHBondContact OD1-SG 3.05Å
406S75.6Confident65.1Low32 Ų3293 Ų9322%0.22451%0.511CS..Hα-helixtrans-64-33.9177.8-166.40000112.5K380 T402 I403 W404K380-S406 VanDerWaalsContact CD-O 3.28Å; K380-S406 WeakPolarHBondContact CD-O 3.45Å; K380-S406 WeakPolarHBondContact CE-O 3.5Å; K380-S406 WeakPolarHBondContact CE-OG 3.44Å; K380-S406 PolarHBondContact NZ-O 2.94Å; K380-S406 PolarHBondContact NZ-OG 3.43Å; T402-S406 WeakPolarHBondContact O-CB 3.3Å; T402-S406 PolarHBondContact O-N 3.18Å; I403-S406 WeakPolarHBondContact O-CB 3.43Å; I403-S406 PolarHBondContact O-N 3.11Å; W404-S406 VanDerWaalsContact C-N 3.33Å; W404-S406 PolarHBondContact O-N 3.05Å
407V72.2Confident64.2Low4 Ų492 Ų922%0.02451%0.513CS..Hα-helixtrans-83.3-42.9177.6177.70000111.4K380 I383 R384 I403 W404 N405K380-V407 HydrophobicContact CG-CG2 4.2Å; I383-V407 HydrophobicContact CB-CG1 4.23Å; I383-V407 HydrophobicContact CD1-CG2 4.09Å; I383-V407 HydrophobicContact CG2-CG1 3.81Å; I383-V407 HydrophobicContact CG2-CG2 4.48Å; R384-V407 HydrophobicContact CG-CG1 3.76Å; R384-V407 PolarHBondContact NE-O 2.91Å; R384-V407 PolarHBondContact NH2-O 3.26Å; I403-V407 HydrophobicContact CG2-CG2 4.23Å; I403-V407 WeakPolarHBondContact O-CB 3.32Å; I403-V407 VanDerWaalsContact O-CG2 3.26Å; I403-V407 WeakPolarHBondContact O-CG2 3.4Å; I403-V407 PolarHBondContact O-N 2.9Å; W404-V407 PolarHBondContact O-N 2.77Å; N405-V407 VanDerWaalsContact C-N 3.28Å; N405-V407 PolarHBondContact O-N 2.99Å
408Y70.7Confident63.2Low9 Ų988.2 Ų88.24%0.03550%0.499CS..Hα-helixtrans-115-15.2-167.1-74.4-76.4000116.3R384 G388 K392 L395 W404R384-Y408 HydrophobicContact CG-CE1 4.12Å; G388-Y408 WeakPolarHBondContact O-CE1 3.3Å; G388-Y408 PolarHBondContact O-OH 2.94Å; K392-Y408 HydrophobicContact CB-CD1 4.32Å; K392-Y408 HydrophobicContact CB-CE1 4.08Å; K392-Y408 HydrophobicContact CD-CD1 3.76Å; K392-Y408 HydrophobicContact CD-CE1 4.26Å; K392-Y408 HydrophobicContact CD-CG 4.23Å; K392-Y408 HydrophobicContact CG-CD1 3.85Å; K392-Y408 HydrophobicContact CG-CD2 4.46Å; K392-Y408 HydrophobicContact CG-CE1 4.11Å; K392-Y408 HydrophobicContact CG-CG 4.03Å; L395-Y408 HydrophobicContact CB-CE2 4.42Å; L395-Y408 HydrophobicContact CD1-CE2 3.8Å; L395-Y408 VanDerWaalsContact CD1-OH 3.28Å; L395-Y408 WeakPolarHBondContact CD1-OH 3.18Å; W404-Y408 AromaticContact CD1-CD2 3.79Å; W404-Y408 HydrophobicContact CG-CD2 4.37Å; W404-Y408 AromaticContact NE1-CD2 3.67Å; W404-Y408 PolarHBondContact O-N 2.93Å
409C64Low62.1Low63 Ų6386.6 Ų86.643%0.42649%0.493SS..  trans-99.22-175.7-67.60000114.9W404 N405 Y411W404-C409 WeakPolarHBondContact CZ3-SG 3.42Å; N405-C409 HydrophobicContact CB-CB 4.18Å; N405-C409 WeakPolarHBondContact O-CA 3.34Å; N405-C409 VanDerWaalsContact O-CB 3.25Å; N405-C409 WeakPolarHBondContact O-CB 3.45Å; N405-C409 PolarHBondContact O-N 2.85Å; N405-C409 PolarHBondContact OD1-SG 3.05Å; C409-Y411 PolarHBondContact O-N 3.33Å
410C48.8Very low61Low78 Ų7889.3 Ų89.353%0.52751%0.51SS..  trans-75.495.7167.4-70.20000109.7
411Y44.2Very low59.4Low207 Ų20790.3 Ų90.381%0.81251%0.512SS*.  trans-66.8157.3143.8-76.8-90.5000108.9C409C409-Y411 PolarHBondContact O-N 3.33Å
412D35.1Very low58Low124 Ų12489.4 Ų89.466%0.66350%0.503SS*.  trans94.376.1175.8-52.4-19.7000117
413L32.9Very low56.4Low154 Ų15487.8 Ų87.881%0.80649%0.491SS*.  trans-110.921.8143.8-88.4166.3000111.4Y335Y335-L413 HydrophobicContact CD2-CD1 4.06Å; Y335-L413 HydrophobicContact CE2-CD1 4.17Å
414T29.1Very low54.9Low120 Ų12088.8 Ų88.874%0.73650%0.499SS*.  trans-112.279.1168.948.70000108.9
415S30Very low52.7Low183 Ų18394.8 Ų94.8100%1.2854%0.537SS*.  trans-153.40161.8-540000108.7

Retrieved 415 of 415 residues in 80.1 ms (Link to these results)