A0A087YG58_POEFO Loading...

Ran GTPase-activating protein 1

AlphaFold DB , UniProt , Accession A0A087YG58, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 564 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
1M45.8Very low48Very low193 Ų193100.3 Ų100.395%0.95158%0.581SS**  0-66.50-62.5-157.2-161.100110.7S3 D4 D5M1-S3 PolarHBondContact O-N 3.46Å; M1-D4 PolarHBondContact O-N 3.17Å; M1-D5 PolarHBondContact O-N 3.42Å
2A44.2Very low48Very low78 Ų7896.3 Ų96.365%0.64557%0.568SS**Hα-helixtrans-68.8-22.3179.800000115.9I6A2-I6 WeakPolarHBondContact O-CD1 3.2Å; A2-I6 WeakPolarHBondContact O-CG1 3.41Å
3S46.4Very low47.5Very low81 Ų8197 Ų9757%0.56657%0.567SS**Hα-helixtrans-83.2-30.7177.263.40000113.7M1 I6 A7M1-S3 PolarHBondContact O-N 3.46Å; S3-I6 PolarHBondContact O-N 3.33Å; S3-A7 PolarHBondContact O-N 3.46Å; S3-A7 VanDerWaalsContact O-N 3.17Å
4D47.5Very low47.6Very low98 Ų9895 Ų9552%0.52456%0.561SS.*Hα-helixtrans-73.5-34179.6-59.6-47.4000110.8M1 A7 Q8M1-D4 PolarHBondContact O-N 3.17Å; D4-A7 PolarHBondContact O-N 2.81Å; D4-Q8 WeakPolarHBondContact O-CB 3.41Å; D4-Q8 WeakPolarHBondContact O-CG 3.17Å; D4-Q8 PolarHBondContact O-N 2.8Å
5D47.9Very low47.6Very low97 Ų9796.4 Ų96.452%0.51956%0.557SS.*Hα-helixtrans-66.8-35173.5-73.2-27.8000112M1 L9M1-D5 PolarHBondContact O-N 3.42Å; D5-L9 WeakPolarHBondContact O-CB 3.26Å; D5-L9 WeakPolarHBondContact O-CD1 3.5Å; D5-L9 PolarHBondContact O-N 3.44Å
6I51.7Low47.3Very low117 Ų11796.1 Ų96.160%0.656%0.557SS**Hα-helixtrans-72.5-37.6177.4-66169.7000111.2A2 S3 L9 A10A2-I6 WeakPolarHBondContact O-CD1 3.2Å; A2-I6 WeakPolarHBondContact O-CG1 3.41Å; S3-I6 PolarHBondContact O-N 3.33Å; I6-L9 PolarHBondContact O-N 2.83Å; I6-A10 VanDerWaalsContact O-CB 3.22Å; I6-A10 WeakPolarHBondContact O-CB 3.35Å; I6-A10 PolarHBondContact O-N 2.97Å
7A54Low47Very low61 Ų6198.2 Ų98.250%0.50456%0.561SS.*Hα-helixtrans-69.1-39.9175.400000111.8S3 D4 A10 D11S3-A7 PolarHBondContact O-N 3.46Å; S3-A7 VanDerWaalsContact O-N 3.17Å; D4-A7 PolarHBondContact O-N 2.81Å; A7-A10 PolarHBondContact O-N 2.69Å; A7-D11 VanDerWaalsContact O-CB 3.28Å; A7-D11 WeakPolarHBondContact O-CB 3.37Å; A7-D11 PolarHBondContact O-N 3.25Å
8Q48.8Very low47.3Very low137 Ų13799.7 Ų99.764%0.6457%0.571SS**Hα-helixtrans-69.9-35.2173.4-72.9-177.75.100112.5D4 A12D4-Q8 WeakPolarHBondContact O-CB 3.41Å; D4-Q8 WeakPolarHBondContact O-CG 3.17Å; D4-Q8 PolarHBondContact O-N 2.8Å; Q8-A12 WeakPolarHBondContact O-CB 3.43Å; Q8-A12 PolarHBondContact O-N 3.47Å
9L46.1Very low47.7Very low104 Ų10496.7 Ų96.755%0.54557%0.565SS.*Hα-helixtrans-67.7-40.7171.2-98.1142.6000111.7D5 I6 D11 A12 L13D5-L9 WeakPolarHBondContact O-CB 3.26Å; D5-L9 WeakPolarHBondContact O-CD1 3.5Å; D5-L9 PolarHBondContact O-N 3.44Å; I6-L9 PolarHBondContact O-N 2.83Å; L9-D11 VanDerWaalsContact C-N 3.34Å; L9-A12 PolarHBondContact O-N 2.74Å; L9-L13 HydrophobicContact CB-CD1 4.44Å; L9-L13 HydrophobicContact CD2-CD1 4.2Å; L9-L13 WeakPolarHBondContact O-CB 3.42Å; L9-L13 VanDerWaalsContact O-CD1 3.26Å; L9-L13 WeakPolarHBondContact O-CD1 3.42Å; L9-L13 WeakPolarHBondContact O-CG 3.26Å; L9-L13 PolarHBondContact O-N 2.9Å
10A48.6Very low48.9Very low56 Ų5696.4 Ų96.446%0.46356%0.561SS.*Hα-helixtrans-66.5-35.9175.500000112I6 A7 S14I6-A10 VanDerWaalsContact O-CB 3.22Å; I6-A10 WeakPolarHBondContact O-CB 3.35Å; I6-A10 PolarHBondContact O-N 2.97Å; A7-A10 PolarHBondContact O-N 2.69Å; A10-S14 VanDerWaalsContact O-CB 3.26Å; A10-S14 WeakPolarHBondContact O-CB 3.22Å; A10-S14 PolarHBondContact O-N 3.43Å; A10-S14 PolarHBondContact O-OG 3.36Å
11D47Very low50.8Low81 Ų8192.5 Ų92.543%0.43354%0.541SS..Hα-helixtrans-75.7-30.8174.5-163.355.9000112.4A7 L9 S14 K15A7-D11 VanDerWaalsContact O-CB 3.28Å; A7-D11 WeakPolarHBondContact O-CB 3.37Å; A7-D11 PolarHBondContact O-N 3.25Å; L9-D11 VanDerWaalsContact C-N 3.34Å; D11-S14 WeakPolarHBondContact CA-OG 3.26Å; D11-S14 PolarHBondContact O-OG 2.83Å; D11-K15 WeakPolarHBondContact O-CB 3.09Å; D11-K15 VanDerWaalsContact O-CD 3.25Å; D11-K15 WeakPolarHBondContact O-CD 3.28Å; D11-K15 WeakPolarHBondContact O-CG 3.12Å; D11-K15 PolarHBondContact O-N 3.35Å; D11-K15 WeakPolarHBondContact OD2-CE 3.25Å; D11-K15 IonicContact OD2-NZ 2.69Å; D11-K15 PolarHBondContact OD2-NZ 3.43Å
12A47.6Very low53.1Low52 Ų5284.7 Ų84.743%0.4350%0.503SS..Hα-helixtrans-74.8-35.6170.900000112.3Q8 L9 K15 T16Q8-A12 WeakPolarHBondContact O-CB 3.43Å; Q8-A12 PolarHBondContact O-N 3.47Å; L9-A12 PolarHBondContact O-N 2.74Å; A12-K15 PolarHBondContact O-N 2.87Å; A12-T16 PolarHBondContact O-N 3.27Å; A12-T16 PolarHBondContact O-OG1 3.08Å
13L41.9Very low55.6Low106 Ų10681.9 Ų81.956%0.55548%0.476SS*.Hα-helixtrans-75.1-29.7175.3-76.7159.7000112.1L9 T16L9-L13 HydrophobicContact CB-CD1 4.44Å; L9-L13 HydrophobicContact CD2-CD1 4.2Å; L9-L13 WeakPolarHBondContact O-CB 3.42Å; L9-L13 VanDerWaalsContact O-CD1 3.26Å; L9-L13 WeakPolarHBondContact O-CD1 3.42Å; L9-L13 WeakPolarHBondContact O-CG 3.26Å; L9-L13 PolarHBondContact O-N 2.9Å; L13-T16 CarbonylContact O-C 3.43Å; L13-T16 PolarHBondContact O-N 2.67Å
14S48.8Very low57.9Low69 Ų6979.9 Ų79.948%0.48346%0.462SS..Hα-helixtrans-71.6-32.9170.172.90000111.6A10 D11 T16A10-S14 VanDerWaalsContact O-CB 3.26Å; A10-S14 WeakPolarHBondContact O-CB 3.22Å; A10-S14 PolarHBondContact O-N 3.43Å; A10-S14 PolarHBondContact O-OG 3.36Å; D11-S14 WeakPolarHBondContact CA-OG 3.26Å; D11-S14 PolarHBondContact O-OG 2.83Å; S14-T16 VanDerWaalsContact C-N 3.28Å; S14-T16 PolarHBondContact O-N 2.92Å
15K47.5Very low60.2Low116 Ų11675.5 Ų75.550%0.50444%0.439SS..THydrogen-bonded Turntrans-75.4-11175-74.2168.3-176.9163.10114.3D11 A12D11-K15 WeakPolarHBondContact O-CB 3.09Å; D11-K15 VanDerWaalsContact O-CD 3.25Å; D11-K15 WeakPolarHBondContact O-CD 3.28Å; D11-K15 WeakPolarHBondContact O-CG 3.12Å; D11-K15 PolarHBondContact O-N 3.35Å; D11-K15 WeakPolarHBondContact OD2-CE 3.25Å; D11-K15 IonicContact OD2-NZ 2.69Å; D11-K15 PolarHBondContact OD2-NZ 3.43Å; A12-K15 PolarHBondContact O-N 2.87Å
16T42.7Very low62.5Low91 Ų9175.7 Ų75.756%0.55844%0.435SS*.THydrogen-bonded Turntrans-138.470.217643.40000111.2A12 L13 S14 V18A12-T16 PolarHBondContact O-N 3.27Å; A12-T16 PolarHBondContact O-OG1 3.08Å; L13-T16 CarbonylContact O-C 3.43Å; L13-T16 PolarHBondContact O-N 2.67Å; S14-T16 VanDerWaalsContact C-N 3.28Å; S14-T16 PolarHBondContact O-N 2.92Å; T16-V18 VanDerWaalsContact C-N 3.26Å; T16-V18 PolarHBondContact O-N 3.21Å
17H43.2Very low64.5Low133 Ų13372.9 Ų72.962%0.61644%0.435SS*.  trans-68.588.2162.5-111.656000109.8G19H17-G19 VanDerWaalsContact C-N 3.29Å; H17-G19 PolarHBondContact O-N 3.42Å
18V52.4Low66.4Low124 Ų12474 Ų7475%0.75243%0.432SS*.  trans-83.479.1165.6-1740000107.5T16T16-V18 VanDerWaalsContact C-N 3.26Å; T16-V18 PolarHBondContact O-N 3.21Å
19G54.5Low68.6Low44 Ų4470.2 Ų70.245%0.45443%0.43SS..SBendtrans-159.5111.3172.400000109.2H17H17-G19 VanDerWaalsContact C-N 3.29Å; H17-G19 PolarHBondContact O-N 3.42Å
20D72.1Confident71Confident90 Ų9068.1 Ų68.148%0.48142%0.419SS..SBendtrans8528.8177-156.130.4000117.7E22 R52 R81D20-E22 VanDerWaalsContact C-N 3.31Å; D20-E22 PolarHBondContact O-N 3.31Å; D20-R52 IonicContact OD1-NH1 3.91Å; D20-R52 PolarHBondContact OD1-NH1 3.28Å; D20-R81 IonicContact OD2-CZ 2.69Å; D20-R81 IonicContact OD2-NH1 3.73Å; D20-R81 IonicContact OD2-NH2 2.78Å; D20-R81 PolarHBondContact OD2-NH2 2.77Å
21G88.6Confident73.2Confident14 Ų1472.1 Ų72.114%0.14443%0.426CS..SBendtrans72.323.6171.200000114.1R52 A53G21-R52 PolarHBondContact O-N 3.27Å; G21-A53 PolarHBondContact O-N 3.02Å; G21-A53 VanDerWaalsContact O-N 3.15Å
22E94.8Very high75.6Confident30 Ų3068.5 Ų68.514%0.1441%0.407CS..EExtended strand (participates in β ladder)trans-88.9130.8177.9-175.4171116.100111.6D20 A53 R55D20-E22 VanDerWaalsContact C-N 3.31Å; D20-E22 PolarHBondContact O-N 3.31Å; E22-A53 WeakPolarHBondContact CA-O 3.41Å; E22-A53 HydrophobicContact CB-CB 3.87Å; E22-A53 HydrophobicContact CG-CB 3.76Å; E22-R55 VanDerWaalsContact CD-NE 3.26Å; E22-R55 WeakPolarHBondContact OE1-CD 3.04Å; E22-R55 IonicContact OE1-CZ 2.88Å; E22-R55 IonicContact OE1-NE 3.48Å; E22-R55 PolarHBondContact OE1-NE 2.86Å; E22-R55 IonicContact OE1-NH2 2.65Å; E22-R55 IonicContact OE2-CZ 3.3Å; E22-R55 IonicContact OE2-NE 2.67Å; E22-R55 PolarHBondContact OE2-NE 3.15Å; E22-R55 IonicContact OE2-NH2 3.79Å; E22-R55 PolarHBondContact OE2-NH2 3.49Å
23L95.7Very high77.8Confident18 Ų1868.4 Ų68.49%0.09440%0.399CS..EExtended strand (participates in β ladder)trans-112.5122.9168-177.262.8000108.9F25 K44 I45 Y48 L51 A53 L54 R55L23-F25 HydrophobicContact CD1-CE2 4.2Å; L23-F25 HydrophobicContact CD1-CZ 4.41Å; L23-F25 HydrophobicContact CD2-CE2 3.73Å; L23-F25 HydrophobicContact CD2-CZ 4.22Å; L23-F25 HydrophobicContact CG-CD2 4.41Å; L23-F25 HydrophobicContact CG-CE2 3.63Å; L23-F25 HydrophobicContact CG-CZ 4.26Å; L23-K44 HydrophobicContact CD1-CB 4.3Å; L23-K44 HydrophobicContact CD2-CB 4.05Å; L23-I45 HydrophobicContact CD2-CB 4.45Å; L23-I45 HydrophobicContact CD2-CG1 3.72Å; L23-Y48 HydrophobicContact CB-CD2 4.28Å; L23-Y48 HydrophobicContact CB-CE2 4.45Å; L23-Y48 HydrophobicContact CD1-CD2 4.06Å; L23-Y48 HydrophobicContact CD1-CE2 4.32Å; L23-L51 HydrophobicContact CB-CD1 3.44Å; L23-L51 VanDerWaalsContact CB-CD1 3.44Å; L23-L51 HydrophobicContact CD2-CD1 4.45Å; L23-A53 PolarHBondContact N-O 3.39Å; L23-L54 HydrophobicContact CB-CD1 4.38Å; L23-L54 HydrophobicContact CD2-CD1 4.37Å; L23-L54 HydrophobicContact CG-CD1 4.44Å; L23-L54 WeakPolarHBondContact O-CA 3.15Å; L23-R55 PolarHBondContact O-N 2.94Å
24S95.6Very high80.1Confident39 Ų3966.8 Ų66.827%0.27339%0.391SS..EExtended strand (participates in β ladder)trans-121.5131.6-172.7-176.50000113K26S24-K26 PolarHBondContact OG-N 3.32Å
25F96Very high82.1Confident7 Ų767.1 Ų67.13%0.03139%0.393CS..  trans-120.523.1168.6-61.8-92.5000111.1L23 G27 L28 L30 L41 K44 L54 R55 L56 N59L23-F25 HydrophobicContact CD1-CE2 4.2Å; L23-F25 HydrophobicContact CD1-CZ 4.41Å; L23-F25 HydrophobicContact CD2-CE2 3.73Å; L23-F25 HydrophobicContact CD2-CZ 4.22Å; L23-F25 HydrophobicContact CG-CD2 4.41Å; L23-F25 HydrophobicContact CG-CE2 3.63Å; L23-F25 HydrophobicContact CG-CZ 4.26Å; F25-G27 PolarHBondContact O-N 3.13Å; F25-L28 HydrophobicContact CB-CD1 4.03Å; F25-L28 HydrophobicContact CD1-CD1 4.01Å; F25-L28 HydrophobicContact CG-CD1 4.5Å; F25-L28 WeakPolarHBondContact O-CG 3.14Å; F25-L30 HydrophobicContact CD1-CD1 4.36Å; F25-L41 HydrophobicContact CD1-CD1 4.36Å; F25-L41 HydrophobicContact CD2-CD1 4.12Å; F25-L41 HydrophobicContact CD2-CG 4.23Å; F25-L41 HydrophobicContact CE1-CB 3.97Å; F25-L41 HydrophobicContact CE1-CD1 4.41Å; F25-L41 HydrophobicContact CE1-CG 4.08Å; F25-L41 HydrophobicContact CE2-CB 4.48Å; F25-L41 HydrophobicContact CE2-CD1 4.17Å; F25-L41 HydrophobicContact CE2-CG 3.76Å; F25-L41 HydrophobicContact CG-CD1 4.21Å; F25-L41 HydrophobicContact CZ-CB 3.9Å; F25-L41 HydrophobicContact CZ-CD1 4.32Å; F25-L41 HydrophobicContact CZ-CG 3.69Å; F25-K44 HydrophobicContact CE1-CD 3.88Å; F25-K44 HydrophobicContact CZ-CB 4.03Å; F25-K44 HydrophobicContact CZ-CD 3.74Å; F25-K44 HydrophobicContact CZ-CG 4.49Å; F25-L54 HydrophobicContact CD2-CD1 4.33Å; F25-L54 HydrophobicContact CE2-CD1 4.33Å; F25-R55 PolarHBondContact N-O 3.16Å; F25-L56 HydrophobicContact CB-CD2 4.38Å; F25-L56 HydrophobicContact CD2-CD2 4.1Å; F25-N59 PolarHBondContact O-ND2 2.95Å
26K95.9Very high84.2Confident100 Ų10069.7 Ų69.744%0.43541%0.407SS..THydrogen-bonded Turntrans-58.9131.3-173.8175.3169.2175.9147.10112S24 L28 R55 E57S24-K26 PolarHBondContact OG-N 3.32Å; K26-L28 VanDerWaalsContact C-N 3.25Å; K26-L28 PolarHBondContact O-N 3.17Å; K26-R55 HydrophobicContact CB-CB 4.44Å; K26-E57 CarbonylContact C-O 3.34Å; K26-E57 VanDerWaalsContact CA-O 3.31Å; K26-E57 WeakPolarHBondContact CA-O 3.4Å; K26-E57 WeakPolarHBondContact CD-OE2 3.34Å; K26-E57 VanDerWaalsContact CE-CD 3.44Å; K26-E57 WeakPolarHBondContact CE-OE1 3.42Å; K26-E57 WeakPolarHBondContact CE-OE2 3.44Å; K26-E57 HydrophobicContact CG-CB 4.17Å; K26-E57 HydrophobicContact CG-CG 4.45Å; K26-E57 IonicContact NZ-OE1 3.22Å; K26-E57 PolarHBondContact NZ-OE1 2.65Å; K26-E57 IonicContact NZ-OE2 3.12Å; K26-E57 PolarHBondContact NZ-OE2 3.01Å
27G92.8Very high86.6Confident59 Ų5967.5 Ų67.561%0.60840%0.395SS*.THydrogen-bonded Turntrans67.919.416900000114.8F25 G29 E57F25-G27 PolarHBondContact O-N 3.13Å; G27-G29 VanDerWaalsContact C-N 3.32Å; G27-E57 PolarHBondContact N-O 3.45Å
28L94.9Very high89.1Confident84 Ų8461.1 Ų61.144%0.4437%0.366SS..  trans-80.9-11.8-180-64.5-177.8000113.1F25 K26 L30F25-L28 HydrophobicContact CB-CD1 4.03Å; F25-L28 HydrophobicContact CD1-CD1 4.01Å; F25-L28 HydrophobicContact CG-CD1 4.5Å; F25-L28 WeakPolarHBondContact O-CG 3.14Å; K26-L28 VanDerWaalsContact C-N 3.25Å; K26-L28 PolarHBondContact O-N 3.17Å; L28-L30 HydrophobicContact CB-CD1 4.13Å; L28-L30 HydrophobicContact CB-CD2 4.23Å; L28-L30 HydrophobicContact CB-CG 3.73Å; L28-L30 HydrophobicContact CD1-CD1 4.1Å; L28-L30 PolarHBondContact O-N 2.78Å
29G94.4Very high91.1Very high58 Ų5858 Ų5860%0.59835%0.353SS*.  trans63.528.3179.100000113.2G27 G58 N59G27-G29 VanDerWaalsContact C-N 3.32Å; G29-G58 WeakPolarHBondContact CA-O 3.26Å; G29-G58 PolarHBondContact N-O 2.85Å; G29-G58 VanDerWaalsContact N-O 3.16Å; G29-N59 PolarHBondContact N-OD1 3.48Å
30L95.3Very high93Very high59 Ų5962.4 Ų62.431%0.30936%0.361SS..  trans-71.5132.6-176.8-58.9174.6000110.5F25 L28 L32 N59 T60F25-L30 HydrophobicContact CD1-CD1 4.36Å; L28-L30 HydrophobicContact CB-CD1 4.13Å; L28-L30 HydrophobicContact CB-CD2 4.23Å; L28-L30 HydrophobicContact CB-CG 3.73Å; L28-L30 HydrophobicContact CD1-CD1 4.1Å; L28-L30 PolarHBondContact O-N 2.78Å; L30-L32 HydrophobicContact CB-CD1 4.39Å; L30-L32 HydrophobicContact CB-CD2 3.88Å; L30-L32 HydrophobicContact CB-CG 3.93Å; L30-L32 HydrophobicContact CD1-CD2 4.4Å; L30-N59 HydrophobicContact CB-CB 4.38Å; L30-N59 WeakPolarHBondContact CB-OD1 3.44Å; L30-N59 WeakPolarHBondContact CG-OD1 3.47Å; L30-N59 PolarHBondContact N-OD1 3.29Å; L30-T60 PolarHBondContact O-N 2.67Å
31K96.3Very high94.1Very high141 Ų14158.3 Ų58.361%0.61334%0.34SS*.EExtended strand (participates in β ladder)trans-96.396.7170.6-164.3-175.9-177.7-156.30109.7D33K31-D33 WeakPolarHBondContact CD-OD2 3.45Å; K31-D33 WeakPolarHBondContact CE-OD2 3.42Å; K31-D33 IonicContact NZ-OD2 2.67Å; K31-D33 PolarHBondContact NZ-OD2 2.71Å
32L96.3Very high94.4Very high4 Ų459 Ų592%0.02134%0.34CS..EExtended strand (participates in β ladder)trans-98.688.6-174.4-56.5177.6000108.7L30 S37 V38 L41 T60 V61 G62 A65L30-L32 HydrophobicContact CB-CD1 4.39Å; L30-L32 HydrophobicContact CB-CD2 3.88Å; L30-L32 HydrophobicContact CB-CG 3.93Å; L30-L32 HydrophobicContact CD1-CD2 4.4Å; L32-S37 WeakPolarHBondContact CA-OG 3.31Å; L32-S37 VanDerWaalsContact CD2-O 3.25Å; L32-S37 WeakPolarHBondContact CD2-O 3.34Å; L32-V38 HydrophobicContact CB-CG1 3.8Å; L32-V38 HydrophobicContact CD1-CG1 4.26Å; L32-V38 HydrophobicContact CD2-CG1 3.97Å; L32-V38 HydrophobicContact CG-CG1 4.22Å; L32-L41 HydrophobicContact CD1-CD1 3.84Å; L32-T60 WeakPolarHBondContact CA-O 3.33Å; L32-T60 WeakPolarHBondContact CB-O 3.47Å; L32-T60 PolarHBondContact N-O 3.44Å; L32-V61 HydrophobicContact CB-CG2 4.43Å; L32-V61 HydrophobicContact CD1-CG2 3.99Å; L32-G62 PolarHBondContact O-N 3.4Å; L32-A65 HydrophobicContact CB-CB 3.9Å; L32-A65 WeakPolarHBondContact O-CB 3.42Å
33D93.4Very high94.4Very high50 Ų5058.5 Ų58.527%0.26734%0.343SS..  trans-93.7-36.9-175-73-34.6000112.6K31 S37 R91K31-D33 WeakPolarHBondContact CD-OD2 3.45Å; K31-D33 WeakPolarHBondContact CE-OD2 3.42Å; K31-D33 IonicContact NZ-OD2 2.67Å; K31-D33 PolarHBondContact NZ-OD2 2.71Å; D33-S37 PolarHBondContact N-OG 2.96Å; D33-R91 IonicContact OD1-CZ 3.26Å; D33-R91 IonicContact OD1-NH1 3.54Å; D33-R91 PolarHBondContact OD1-NH1 2.98Å
34D92.2Very high94.4Very high72 Ų7261.7 Ų61.739%0.38536%0.356SS..SBendtrans-147-176.6-170.260.638.6000113.2E36 S37 V38D34-E36 VanDerWaalsContact C-N 3.3Å; D34-E36 PolarHBondContact O-N 3.01Å; D34-E36 WeakPolarHBondContact OD1-CB 3.39Å; D34-E36 PolarHBondContact OD1-N 2.94Å; D34-S37 PolarHBondContact N-OG 3.26Å; D34-S37 PolarHBondContact O-N 2.89Å; D34-S37 PolarHBondContact O-OG 2.89Å; D34-S37 PolarHBondContact OD1-N 3.36Å; D34-S37 PolarHBondContact OD1-OG 3.49Å; D34-V38 WeakPolarHBondContact O-CG2 3.4Å; D34-V38 PolarHBondContact O-N 3.44Å
35S88.8Confident94.4Very high76 Ų7659.8 Ų59.853%0.53134%0.343SS..THydrogen-bonded Turntrans-63.3-29-179.1-63.90000114.4V38 A39S35-V38 WeakPolarHBondContact O-CG2 3.41Å; S35-A39 PolarHBondContact O-N 3.11Å
36E91.9Very high94.3Very high170 Ų17065.1 Ų65.179%0.79437%0.367SS*.THydrogen-bonded Turntrans-74-44.4178.2-64.6-174.8-18000109.8D34 V38 A39D34-E36 VanDerWaalsContact C-N 3.3Å; D34-E36 PolarHBondContact O-N 3.01Å; D34-E36 WeakPolarHBondContact OD1-CB 3.39Å; D34-E36 PolarHBondContact OD1-N 2.94Å; E36-V38 PolarHBondContact O-N 3.35Å; E36-A39 VanDerWaalsContact O-CB 3.31Å; E36-A39 WeakPolarHBondContact O-CB 3.45Å; E36-A39 PolarHBondContact O-N 3.2Å; E36-A39 VanDerWaalsContact O-N 3.13Å
37S94.1Very high94.2Very high45 Ų4568 Ų6832%0.31538%0.382SS..THydrogen-bonded Turntrans-63.1-27.6179.769.90000113.7L32 D33 D34L32-S37 WeakPolarHBondContact CA-OG 3.31Å; L32-S37 VanDerWaalsContact CD2-O 3.25Å; L32-S37 WeakPolarHBondContact CD2-O 3.34Å; D33-S37 PolarHBondContact N-OG 2.96Å; D34-S37 PolarHBondContact N-OG 3.26Å; D34-S37 PolarHBondContact O-N 2.89Å; D34-S37 PolarHBondContact O-OG 2.89Å; D34-S37 PolarHBondContact OD1-N 3.36Å; D34-S37 PolarHBondContact OD1-OG 3.49Å
38V95.6Very high94.2Very high0 Ų067.7 Ų67.70%036%0.363CS..THydrogen-bonded Turntrans-93.2-2177.2-62.60000114.1L32 D34 S35 E36 E40 L41 L42 A65 A68 I69L32-V38 HydrophobicContact CB-CG1 3.8Å; L32-V38 HydrophobicContact CD1-CG1 4.26Å; L32-V38 HydrophobicContact CD2-CG1 3.97Å; L32-V38 HydrophobicContact CG-CG1 4.22Å; D34-V38 WeakPolarHBondContact O-CG2 3.4Å; D34-V38 PolarHBondContact O-N 3.44Å; S35-V38 WeakPolarHBondContact O-CG2 3.41Å; E36-V38 PolarHBondContact O-N 3.35Å; V38-E40 VanDerWaalsContact C-N 3.32Å; V38-E40 PolarHBondContact O-N 3.39Å; V38-L41 CarbonylContact O-C 3.4Å; V38-L41 WeakPolarHBondContact O-CA 3.08Å; V38-L41 WeakPolarHBondContact O-CB 3.25Å; V38-L41 PolarHBondContact O-N 3.39Å; V38-L42 HydrophobicContact CB-CG 4.12Å; V38-L42 HydrophobicContact CG2-CD1 3.6Å; V38-L42 HydrophobicContact CG2-CD2 4.18Å; V38-L42 HydrophobicContact CG2-CG 3.72Å; V38-L42 WeakPolarHBondContact O-CG 3.37Å; V38-L42 PolarHBondContact O-N 3.34Å; V38-A65 HydrophobicContact CG1-CB 3.54Å; V38-A68 HydrophobicContact CG2-CB 3.79Å; V38-I69 HydrophobicContact CG1-CD1 4.2Å; V38-I69 HydrophobicContact CG1-CG1 4.27Å
39A94.6Very high93.8Very high57 Ų5769 Ų6947%0.47138%0.377SS..Hα-helixtrans-55-42.5-168.300000113.9S35 E36 L42 G43S35-A39 PolarHBondContact O-N 3.11Å; E36-A39 VanDerWaalsContact O-CB 3.31Å; E36-A39 WeakPolarHBondContact O-CB 3.45Å; E36-A39 PolarHBondContact O-N 3.2Å; E36-A39 VanDerWaalsContact O-N 3.13Å; A39-L42 PolarHBondContact O-N 3.26Å; A39-G43 PolarHBondContact O-N 3.28Å
40E93.9Very high93.7Very high137 Ų13767.5 Ų67.564%0.6436%0.362SS*.Hα-helixtrans-64.5-43.7176.2-172.3-171.6154.900111.7V38 G43 K44V38-E40 VanDerWaalsContact C-N 3.32Å; V38-E40 PolarHBondContact O-N 3.39Å; E40-G43 PolarHBondContact O-N 3.09Å; E40-K44 WeakPolarHBondContact O-CG 2.94Å; E40-K44 PolarHBondContact O-N 2.78Å; E40-K44 VanDerWaalsContact O-N 3.08Å; E40-K44 VanDerWaalsContact OE1-CE 3.26Å; E40-K44 WeakPolarHBondContact OE1-CE 3.49Å; E40-K44 IonicContact OE1-NZ 2.69Å; E40-K44 PolarHBondContact OE1-NZ 3.01Å
41L94.8Very high93.7Very high5 Ų564.8 Ų64.83%0.02635%0.348CS..Hα-helixtrans-63.2-44.4178.6177.1160.2000110.8F25 L32 V38 K44 I45 L56 I69F25-L41 HydrophobicContact CD1-CD1 4.36Å; F25-L41 HydrophobicContact CD2-CD1 4.12Å; F25-L41 HydrophobicContact CD2-CG 4.23Å; F25-L41 HydrophobicContact CE1-CB 3.97Å; F25-L41 HydrophobicContact CE1-CD1 4.41Å; F25-L41 HydrophobicContact CE1-CG 4.08Å; F25-L41 HydrophobicContact CE2-CB 4.48Å; F25-L41 HydrophobicContact CE2-CD1 4.17Å; F25-L41 HydrophobicContact CE2-CG 3.76Å; F25-L41 HydrophobicContact CG-CD1 4.21Å; F25-L41 HydrophobicContact CZ-CB 3.9Å; F25-L41 HydrophobicContact CZ-CD1 4.32Å; F25-L41 HydrophobicContact CZ-CG 3.69Å; L32-L41 HydrophobicContact CD1-CD1 3.84Å; V38-L41 CarbonylContact O-C 3.4Å; V38-L41 WeakPolarHBondContact O-CA 3.08Å; V38-L41 WeakPolarHBondContact O-CB 3.25Å; V38-L41 PolarHBondContact O-N 3.39Å; L41-K44 PolarHBondContact O-N 2.82Å; L41-I45 HydrophobicContact CD2-CD1 3.4Å; L41-I45 VanDerWaalsContact CD2-CD1 3.4Å; L41-I45 HydrophobicContact CD2-CG1 4.13Å; L41-I45 HydrophobicContact CG-CD1 4.38Å; L41-I45 WeakPolarHBondContact O-CG1 2.95Å; L41-I45 PolarHBondContact O-N 2.79Å; L41-L56 HydrophobicContact CD1-CD2 3.77Å; L41-I69 HydrophobicContact CD1-CD1 4.43Å; L41-I69 HydrophobicContact CD2-CD1 4.14Å; L41-I69 HydrophobicContact CD2-CG1 3.73Å
42L95.6Very high93.8Very high28 Ų2862.4 Ų62.415%0.14734%0.335CS..Hα-helixtrans-61.3-47.6177.2-63.5-177.9000111.4V38 A39 K44 I45 E46 A68 I69 A72V38-L42 HydrophobicContact CB-CG 4.12Å; V38-L42 HydrophobicContact CG2-CD1 3.6Å; V38-L42 HydrophobicContact CG2-CD2 4.18Å; V38-L42 HydrophobicContact CG2-CG 3.72Å; V38-L42 WeakPolarHBondContact O-CG 3.37Å; V38-L42 PolarHBondContact O-N 3.34Å; A39-L42 PolarHBondContact O-N 3.26Å; L42-K44 PolarHBondContact O-N 2.9Å; L42-I45 PolarHBondContact O-N 2.91Å; L42-I45 VanDerWaalsContact O-N 3.11Å; L42-E46 WeakPolarHBondContact O-CB 3.31Å; L42-E46 WeakPolarHBondContact O-CG 3.47Å; L42-E46 PolarHBondContact O-N 3.11Å; L42-A68 HydrophobicContact CD1-CB 4.11Å; L42-A68 HydrophobicContact CD2-CB 4.45Å; L42-A68 WeakPolarHBondContact CD2-O 3.41Å; L42-I69 HydrophobicContact CD2-CG1 4.24Å; L42-A72 HydrophobicContact CD2-CB 3.96Å
43G94.5Very high93.8Very high19 Ų1962.2 Ų62.220%0.19633%0.334CS..Hα-helixtrans-56.1-41.6177.400000111.8A39 E40 Q47A39-G43 PolarHBondContact O-N 3.28Å; E40-G43 PolarHBondContact O-N 3.09Å; G43-Q47 VanDerWaalsContact O-CB 3.26Å; G43-Q47 WeakPolarHBondContact O-CB 3.45Å; G43-Q47 WeakPolarHBondContact O-CG 3.45Å; G43-Q47 PolarHBondContact O-N 2.87Å; G43-Q47 VanDerWaalsContact O-N 3.09Å
44K95.6Very high94Very high85 Ų8559.9 Ų59.937%0.3732%0.321SS..Hα-helixtrans-67.2-44.3175.1-71.6-179.7-173.11700112.5L23 F25 E40 L41 L42 Y48L23-K44 HydrophobicContact CD1-CB 4.3Å; L23-K44 HydrophobicContact CD2-CB 4.05Å; F25-K44 HydrophobicContact CE1-CD 3.88Å; F25-K44 HydrophobicContact CZ-CB 4.03Å; F25-K44 HydrophobicContact CZ-CD 3.74Å; F25-K44 HydrophobicContact CZ-CG 4.49Å; E40-K44 WeakPolarHBondContact O-CG 2.94Å; E40-K44 PolarHBondContact O-N 2.78Å; E40-K44 VanDerWaalsContact O-N 3.08Å; E40-K44 VanDerWaalsContact OE1-CE 3.26Å; E40-K44 WeakPolarHBondContact OE1-CE 3.49Å; E40-K44 IonicContact OE1-NZ 2.69Å; E40-K44 PolarHBondContact OE1-NZ 3.01Å; L41-K44 PolarHBondContact O-N 2.82Å; L42-K44 PolarHBondContact O-N 2.9Å; K44-Y48 WeakPolarHBondContact O-CB 3.36Å; K44-Y48 PolarHBondContact O-N 3.4Å
45I95.5Very high94.3Very high0 Ų058.9 Ų58.90%031%0.312CS..Hα-helixtrans-60.2-51.8177-70.7178.4000110.1L23 L41 L42 Q47 Y48 L51 L54 I69 A72 L73 K76L23-I45 HydrophobicContact CD2-CB 4.45Å; L23-I45 HydrophobicContact CD2-CG1 3.72Å; L41-I45 HydrophobicContact CD2-CD1 3.4Å; L41-I45 VanDerWaalsContact CD2-CD1 3.4Å; L41-I45 HydrophobicContact CD2-CG1 4.13Å; L41-I45 HydrophobicContact CG-CD1 4.38Å; L41-I45 WeakPolarHBondContact O-CG1 2.95Å; L41-I45 PolarHBondContact O-N 2.79Å; L42-I45 PolarHBondContact O-N 2.91Å; L42-I45 VanDerWaalsContact O-N 3.11Å; I45-Q47 VanDerWaalsContact C-N 3.34Å; I45-Q47 PolarHBondContact O-N 3.49Å; I45-Y48 PolarHBondContact O-N 3.32Å; I45-Y48 VanDerWaalsContact O-N 3.11Å; I45-L51 HydrophobicContact CG2-CD2 4.25Å; I45-L54 HydrophobicContact CD1-CD1 4.26Å; I45-L54 HydrophobicContact CD1-CD2 4.02Å; I45-L54 HydrophobicContact CG1-CD1 4.41Å; I45-I69 HydrophobicContact CD1-CG2 4.2Å; I45-A72 HydrophobicContact CB-CB 4.28Å; I45-A72 HydrophobicContact CG2-CB 3.74Å; I45-L73 HydrophobicContact CD1-CD2 4.47Å; I45-L73 HydrophobicContact CG2-CD2 4.16Å; I45-K76 HydrophobicContact CG2-CG 4.35Å; I45-K76 WeakPolarHBondContact O-CE 3.35Å; I45-K76 PolarHBondContact O-NZ 2.85Å
46E94.5Very high94.7Very high118 Ų11855.2 Ų55.255%0.55129%0.287SS*.Hα-helixtrans-58.7-46.2-176.8-72.1175.7175.100111.4L42 Y48 A72 K76L42-E46 WeakPolarHBondContact O-CB 3.31Å; L42-E46 WeakPolarHBondContact O-CG 3.47Å; L42-E46 PolarHBondContact O-N 3.11Å; E46-Y48 PolarHBondContact O-N 3.37Å; E46-A72 HydrophobicContact CG-CB 4.17Å; E46-K76 PolarHBondContact O-NZ 3.29Å
47Q93.2Very high95Very high160 Ų16049.5 Ų49.575%0.74826%0.26SS*.THydrogen-bonded Turntrans-75.1-4-179.6-65.917226.700114.3G43 I45 P49G43-Q47 VanDerWaalsContact O-CB 3.26Å; G43-Q47 WeakPolarHBondContact O-CB 3.45Å; G43-Q47 WeakPolarHBondContact O-CG 3.45Å; G43-Q47 PolarHBondContact O-N 2.87Å; G43-Q47 VanDerWaalsContact O-N 3.09Å; I45-Q47 VanDerWaalsContact C-N 3.34Å; I45-Q47 PolarHBondContact O-N 3.49Å; Q47-P49 WeakPolarHBondContact O-CD 3.25Å
48Y92.7Very high95Very high53 Ų5348.3 Ų48.321%0.20826%0.255CS..  trans-93.794.2179.6-148.9-68.7000111.4L23 K44 I45 E46 L51 K76L23-Y48 HydrophobicContact CB-CD2 4.28Å; L23-Y48 HydrophobicContact CB-CE2 4.45Å; L23-Y48 HydrophobicContact CD1-CD2 4.06Å; L23-Y48 HydrophobicContact CD1-CE2 4.32Å; K44-Y48 WeakPolarHBondContact O-CB 3.36Å; K44-Y48 PolarHBondContact O-N 3.4Å; I45-Y48 PolarHBondContact O-N 3.32Å; I45-Y48 VanDerWaalsContact O-N 3.11Å; E46-Y48 PolarHBondContact O-N 3.37Å; Y48-L51 HydrophobicContact CD1-CB 4.18Å; Y48-L51 HydrophobicContact CD1-CD1 4.16Å; Y48-L51 HydrophobicContact CG-CD1 4.29Å; Y48-K76 PolarHBondContact O-NZ 3.33Å
49P87.1Confident95.1Very high111 Ų11148.4 Ų48.472%0.72126%0.255SS*.THydrogen-bonded Turntrans-69.6139.3172.730.6-36.1000110.2Q47Q47-P49 WeakPolarHBondContact O-CD 3.25Å
50G91.5Very high95.2Very high28 Ų2847 Ų4729%0.28924%0.241SC..THydrogen-bonded Turntrans67.634.517900000113.7R52G50-R52 PolarHBondContact O-N 2.83Å
51L95.9Very high95.4Very high1 Ų140.5 Ų40.51%0.00521%0.21CC..  trans-59.1116.6171.9-177.569000109.6L23 I45 Y48 A53 L73 K76 Q78 L79L23-L51 HydrophobicContact CB-CD1 3.44Å; L23-L51 VanDerWaalsContact CB-CD1 3.44Å; L23-L51 HydrophobicContact CD2-CD1 4.45Å; I45-L51 HydrophobicContact CG2-CD2 4.25Å; Y48-L51 HydrophobicContact CD1-CB 4.18Å; Y48-L51 HydrophobicContact CD1-CD1 4.16Å; Y48-L51 HydrophobicContact CG-CD1 4.29Å; L51-A53 VanDerWaalsContact CD1-O 3.29Å; L51-A53 WeakPolarHBondContact CD1-O 3.42Å; L51-L73 HydrophobicContact CD2-CD2 4.14Å; L51-K76 HydrophobicContact CB-CD 4.12Å; L51-K76 HydrophobicContact CB-CG 4.47Å; L51-K76 HydrophobicContact CD2-CB 4.47Å; L51-K76 HydrophobicContact CD2-CD 4.46Å; L51-K76 HydrophobicContact CD2-CG 4.1Å; L51-Q78 CarbonylContact O-C 3.05Å; L51-Q78 VanDerWaalsContact O-C 3.24Å; L51-L79 HydrophobicContact CD2-CD1 4.46Å; L51-L79 HydrophobicContact CG-CD1 4.25Å; L51-L79 WeakPolarHBondContact O-CA 3.44Å; L51-L79 PolarHBondContact O-N 2.97Å
52R97.2Very high95.5Very high92 Ų9240.2 Ų40.235%0.34721%0.209SC..  trans-109.1-25-180-71.1-180176.3-155.6-6.1113.2D20 G21 G50 Q78 Q80 R81D20-R52 IonicContact OD1-NH1 3.91Å; D20-R52 PolarHBondContact OD1-NH1 3.28Å; G21-R52 PolarHBondContact O-N 3.27Å; G50-R52 PolarHBondContact O-N 2.83Å; R52-Q78 WeakPolarHBondContact CA-O 3.35Å; R52-Q80 PolarHBondContact O-N 2.83Å; R52-R81 PolarHBondContact O-N 2.78Å
53A97.9Very high95.6Very high0 Ų039.7 Ų39.70%021%0.207CC..EExtended strand (participates in β ladder)trans-141.9138.517900000111.8G21 E22 L23 L51 R81 Y83G21-A53 PolarHBondContact O-N 3.02Å; G21-A53 VanDerWaalsContact O-N 3.15Å; E22-A53 WeakPolarHBondContact CA-O 3.41Å; E22-A53 HydrophobicContact CB-CB 3.87Å; E22-A53 HydrophobicContact CG-CB 3.76Å; L23-A53 PolarHBondContact N-O 3.39Å; L51-A53 VanDerWaalsContact CD1-O 3.29Å; L51-A53 WeakPolarHBondContact CD1-O 3.42Å; A53-R81 CarbonylContact C-O 3.6Å; A53-R81 VanDerWaalsContact CA-O 3.22Å; A53-R81 WeakPolarHBondContact CA-O 3.44Å; A53-R81 HydrophobicContact CB-CB 3.81Å; A53-Y83 HydrophobicContact CB-CE2 4.05Å
54L97.8Very high95.7Very high0 Ų043.4 Ų43.40%022%0.219CC..EExtended strand (participates in β ladder)trans-125.6118175-179.563.1000110L23 F25 I45 L56 L73 L79 R81 Y83L23-L54 HydrophobicContact CB-CD1 4.38Å; L23-L54 HydrophobicContact CD2-CD1 4.37Å; L23-L54 HydrophobicContact CG-CD1 4.44Å; L23-L54 WeakPolarHBondContact O-CA 3.15Å; F25-L54 HydrophobicContact CD2-CD1 4.33Å; F25-L54 HydrophobicContact CE2-CD1 4.33Å; I45-L54 HydrophobicContact CD1-CD1 4.26Å; I45-L54 HydrophobicContact CD1-CD2 4.02Å; I45-L54 HydrophobicContact CG1-CD1 4.41Å; L54-L56 HydrophobicContact CD1-CD2 4.19Å; L54-L56 HydrophobicContact CD2-CD1 4.16Å; L54-L56 HydrophobicContact CD2-CG 4.31Å; L54-L56 HydrophobicContact CG-CD1 4.48Å; L54-L56 HydrophobicContact CG-CD2 4.28Å; L54-L56 HydrophobicContact CG-CG 4.1Å; L54-L73 HydrophobicContact CD2-CD1 4.23Å; L54-L73 HydrophobicContact CD2-CD2 4.09Å; L54-L79 HydrophobicContact CB-CD1 4.32Å; L54-R81 PolarHBondContact N-O 3.37Å; L54-Y83 PolarHBondContact O-N 3.37Å
55R98Very high95.8Very high51 Ų5139.3 Ų39.319%0.19220%0.201CC..EExtended strand (participates in β ladder)trans-101.8121.4173.2-61.3-176.8177.6-86.5-7.2111.1E22 L23 F25 K26 Y83E22-R55 VanDerWaalsContact CD-NE 3.26Å; E22-R55 WeakPolarHBondContact OE1-CD 3.04Å; E22-R55 IonicContact OE1-CZ 2.88Å; E22-R55 IonicContact OE1-NE 3.48Å; E22-R55 PolarHBondContact OE1-NE 2.86Å; E22-R55 IonicContact OE1-NH2 2.65Å; E22-R55 IonicContact OE2-CZ 3.3Å; E22-R55 IonicContact OE2-NE 2.67Å; E22-R55 PolarHBondContact OE2-NE 3.15Å; E22-R55 IonicContact OE2-NH2 3.79Å; E22-R55 PolarHBondContact OE2-NH2 3.49Å; L23-R55 PolarHBondContact O-N 2.94Å; F25-R55 PolarHBondContact N-O 3.16Å; K26-R55 HydrophobicContact CB-CB 4.44Å; R55-Y83 HydrophobicContact CB-CD2 4.43Å; R55-Y83 HydrophobicContact CG-CD2 3.31Å; R55-Y83 HydrophobicContact CG-CE2 4.06Å; R55-Y83 HydrophobicContact CG-CG 3.88Å; R55-Y83 VanDerWaalsContact NH2-CE2 3.33Å; R55-Y83 PolarHBondContact NH2-OH 2.94Å
56L97.7Very high95.9Very high0 Ų039.3 Ų39.30%020%0.201CC..  trans-119.38.5174.6-60.7179.1000112.7F25 L41 L54 N59 I69 Y83 M87F25-L56 HydrophobicContact CB-CD2 4.38Å; F25-L56 HydrophobicContact CD2-CD2 4.1Å; L41-L56 HydrophobicContact CD1-CD2 3.77Å; L54-L56 HydrophobicContact CD1-CD2 4.19Å; L54-L56 HydrophobicContact CD2-CD1 4.16Å; L54-L56 HydrophobicContact CD2-CG 4.31Å; L54-L56 HydrophobicContact CG-CD1 4.48Å; L54-L56 HydrophobicContact CG-CD2 4.28Å; L54-L56 HydrophobicContact CG-CG 4.1Å; L56-N59 PolarHBondContact O-N 3.43Å; L56-N59 PolarHBondContact O-ND2 3.31Å; L56-I69 HydrophobicContact CD1-CD1 4.49Å; L56-Y83 PolarHBondContact N-O 3.03Å; L56-M87 HydrophobicContact CB-CE 4.25Å; L56-M87 HydrophobicContact CD1-CE 3.67Å
57E96.8Very high96.1Very high49 Ų4937.8 Ų37.823%0.22919%0.193CC..THydrogen-bonded Turntrans-53.2135.2-177.6-178.7-171.7150.200113.6K26 G27 N59 S85K26-E57 CarbonylContact C-O 3.34Å; K26-E57 VanDerWaalsContact CA-O 3.31Å; K26-E57 WeakPolarHBondContact CA-O 3.4Å; K26-E57 WeakPolarHBondContact CD-OE2 3.34Å; K26-E57 VanDerWaalsContact CE-CD 3.44Å; K26-E57 WeakPolarHBondContact CE-OE1 3.42Å; K26-E57 WeakPolarHBondContact CE-OE2 3.44Å; K26-E57 HydrophobicContact CG-CB 4.17Å; K26-E57 HydrophobicContact CG-CG 4.45Å; K26-E57 IonicContact NZ-OE1 3.22Å; K26-E57 PolarHBondContact NZ-OE1 2.65Å; K26-E57 IonicContact NZ-OE2 3.12Å; K26-E57 PolarHBondContact NZ-OE2 3.01Å; G27-E57 PolarHBondContact N-O 3.45Å; E57-N59 PolarHBondContact O-ND2 3.48Å; E57-S85 VanDerWaalsContact CA-O 3.23Å; E57-S85 WeakPolarHBondContact CA-O 3.49Å; E57-S85 WeakPolarHBondContact CG-OG 3.06Å
58G94.8Very high96.4Very high20 Ų2030.9 Ų30.921%0.20616%0.163CC..THydrogen-bonded Turntrans73.531.7176.500000114G29 D86G29-G58 WeakPolarHBondContact CA-O 3.26Å; G29-G58 PolarHBondContact N-O 2.85Å; G29-G58 VanDerWaalsContact N-O 3.16Å; G58-D86 WeakPolarHBondContact CA-O 3.29Å; G58-D86 PolarHBondContact N-O 2.77Å
59N97Very high96.6Very high2 Ų228.4 Ų28.41%0.01115%0.153CC..  trans-125.9175.2173.2-59.9-75.4000109.9F25 G29 L30 L56 E57 D86 M87F25-N59 PolarHBondContact O-ND2 2.95Å; G29-N59 PolarHBondContact N-OD1 3.48Å; L30-N59 HydrophobicContact CB-CB 4.38Å; L30-N59 WeakPolarHBondContact CB-OD1 3.44Å; L30-N59 WeakPolarHBondContact CG-OD1 3.47Å; L30-N59 PolarHBondContact N-OD1 3.29Å; L56-N59 PolarHBondContact O-N 3.43Å; L56-N59 PolarHBondContact O-ND2 3.31Å; E57-N59 PolarHBondContact O-ND2 3.48Å; N59-D86 PolarHBondContact N-O 3.46Å; N59-M87 CarbonylContact O-C 3.56Å; N59-M87 WeakPolarHBondContact O-CA 3.34Å; N59-M87 VanDerWaalsContact O-O 3.14Å
60T96.7Very high97.2Very high27 Ų2723.4 Ų23.417%0.16612%0.121CC..EExtended strand (participates in β ladder)trans-122.5108.4178-59.80000109.7L30 L32 M87 T89 R91L30-T60 PolarHBondContact O-N 2.67Å; L32-T60 WeakPolarHBondContact CA-O 3.33Å; L32-T60 WeakPolarHBondContact CB-O 3.47Å; L32-T60 PolarHBondContact N-O 3.44Å; T60-M87 CarbonylContact C-O 3.55Å; T60-M87 WeakPolarHBondContact CA-O 3.41Å; T60-T89 WeakPolarHBondContact CG2-O 3.37Å; T60-T89 PolarHBondContact OG1-O 2.69Å; T60-R91 HydrophobicContact CG2-CG 3.86Å
61V97.6Very high97.4Very high1 Ų129.5 Ų29.51%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-105.2115.4-177.6-177.30000110.9L32 A65 A66 I69 M87 F88L32-V61 HydrophobicContact CB-CG2 4.43Å; L32-V61 HydrophobicContact CD1-CG2 3.99Å; V61-A65 HydrophobicContact CG1-CB 4.06Å; V61-A66 HydrophobicContact CG1-CB 3.92Å; V61-I69 HydrophobicContact CG1-CD1 4.13Å; V61-M87 HydrophobicContact CB-CE 3.62Å; V61-M87 HydrophobicContact CG1-CE 3.98Å; V61-M87 HydrophobicContact CG2-CE 3.38Å; V61-M87 PolarHBondContact N-O 3.2Å; V61-F88 HydrophobicContact CB-CE1 4.25Å; V61-F88 WeakPolarHBondContact O-CD1 3.19Å; V61-F88 VanDerWaalsContact O-CE1 3.23Å; V61-F88 WeakPolarHBondContact O-CE1 2.99Å
62G97.1Very high97.5Very high0 Ų029.7 Ų29.70%014%0.142CC..  trans-79.7172.3170.900000113.5L32 E64 A65 A66L32-G62 PolarHBondContact O-N 3.4Å; G62-E64 PolarHBondContact O-N 3.18Å; G62-A65 PolarHBondContact O-N 2.85Å; G62-A66 WeakPolarHBondContact O-CB 3.36Å; G62-A66 PolarHBondContact O-N 2.83Å
63V97.4Very high97.5Very high17 Ų1725.3 Ų25.310%0.10313%0.125CC..Hα-helixtrans-61.7-44.6-178.1177.70000112.2A66 K67 E95 T98V63-A66 PolarHBondContact O-N 2.76Å; V63-K67 HydrophobicContact CG1-CD 4.45Å; V63-K67 WeakPolarHBondContact O-CG 3.13Å; V63-K67 PolarHBondContact O-N 2.75Å; V63-E95 HydrophobicContact CG2-CB 3.69Å; V63-E95 HydrophobicContact CG2-CG 4Å; V63-T98 HydrophobicContact CG1-CG2 3.69Å; V63-T98 HydrophobicContact CG2-CG2 4.49Å
64E98Very high97.4Very high96 Ų9630.3 Ų30.345%0.44915%0.149SC..Hα-helixtrans-71.1-37.9-179-58.9-50.6128.600112G62 K67 A68G62-E64 PolarHBondContact O-N 3.18Å; E64-K67 PolarHBondContact O-N 2.89Å; E64-K67 IonicContact OE1-NZ 2.72Å; E64-K67 PolarHBondContact OE1-NZ 2.78Å; E64-K67 WeakPolarHBondContact OE2-CD 3.48Å; E64-K67 IonicContact OE2-NZ 2.66Å; E64-K67 PolarHBondContact OE2-NZ 3.3Å; E64-A68 PolarHBondContact O-N 3.06Å
65A97.8Very high97.3Very high0 Ų034 Ų340%018%0.175CC..Hα-helixtrans-59.4-46.8168.900000111.9L32 V38 V61 G62 K67 A68 I69L32-A65 HydrophobicContact CB-CB 3.9Å; L32-A65 WeakPolarHBondContact O-CB 3.42Å; V38-A65 HydrophobicContact CG1-CB 3.54Å; V61-A65 HydrophobicContact CG1-CB 4.06Å; G62-A65 PolarHBondContact O-N 2.85Å; A65-K67 VanDerWaalsContact C-N 3.32Å; A65-K67 PolarHBondContact O-N 2.95Å; A65-A68 PolarHBondContact O-N 3.15Å; A65-A68 VanDerWaalsContact O-N 3.15Å; A65-I69 VanDerWaalsContact O-CG1 3.25Å; A65-I69 WeakPolarHBondContact O-CG1 3.43Å; A65-I69 PolarHBondContact O-N 2.76Å
66A98.1Very high97.2Very high0 Ų032.4 Ų32.40%017%0.169CC..Hα-helixtrans-60.2-40.1177.400000112.3V61 G62 V63 I69 A70 A99 L103V61-A66 HydrophobicContact CG1-CB 3.92Å; G62-A66 WeakPolarHBondContact O-CB 3.36Å; G62-A66 PolarHBondContact O-N 2.83Å; V63-A66 PolarHBondContact O-N 2.76Å; A66-I69 PolarHBondContact O-N 3.04Å; A66-A70 WeakPolarHBondContact O-CB 3.05Å; A66-A70 PolarHBondContact O-N 3.01Å; A66-A99 HydrophobicContact CB-CB 3.63Å; A66-L103 HydrophobicContact CB-CG 4.32Å
67K98.4Very high97.1Very high86 Ų8637 Ų3737%0.37419%0.194SC..Hα-helixtrans-61.8-44173.4-73.8169.4-177169.30112.2V63 E64 A65 A70 K71 C102V63-K67 HydrophobicContact CG1-CD 4.45Å; V63-K67 WeakPolarHBondContact O-CG 3.13Å; V63-K67 PolarHBondContact O-N 2.75Å; E64-K67 PolarHBondContact O-N 2.89Å; E64-K67 IonicContact OE1-NZ 2.72Å; E64-K67 PolarHBondContact OE1-NZ 2.78Å; E64-K67 WeakPolarHBondContact OE2-CD 3.48Å; E64-K67 IonicContact OE2-NZ 2.66Å; E64-K67 PolarHBondContact OE2-NZ 3.3Å; A65-K67 VanDerWaalsContact C-N 3.32Å; A65-K67 PolarHBondContact O-N 2.95Å; K67-A70 WeakPolarHBondContact O-CB 3.49Å; K67-A70 PolarHBondContact O-N 3.05Å; K67-K71 PolarHBondContact O-N 3.32Å; K67-C102 HydrophobicContact CG-CB 4.19Å; K67-C102 WeakPolarHBondContact CG-SG 3.23Å
68A98.2Very high97.1Very high15 Ų1538.9 Ų38.912%0.12420%0.202CC..Hα-helixtrans-66.8-42.7179.500000111.4V38 L42 E64 A65 K71 A72V38-A68 HydrophobicContact CG2-CB 3.79Å; L42-A68 HydrophobicContact CD1-CB 4.11Å; L42-A68 HydrophobicContact CD2-CB 4.45Å; L42-A68 WeakPolarHBondContact CD2-O 3.41Å; E64-A68 PolarHBondContact O-N 3.06Å; A65-A68 PolarHBondContact O-N 3.15Å; A65-A68 VanDerWaalsContact O-N 3.15Å; A68-K71 PolarHBondContact O-N 3.04Å; A68-A72 PolarHBondContact O-N 3.03Å
69I98.1Very high97.2Very high0 Ų037.9 Ų37.90%019%0.193CC..Hα-helixtrans-61.1-46.9173.3-66168000110.4V38 L41 L42 I45 L56 V61 A65 A66 K71 A72 L73 L103V38-I69 HydrophobicContact CG1-CD1 4.2Å; V38-I69 HydrophobicContact CG1-CG1 4.27Å; L41-I69 HydrophobicContact CD1-CD1 4.43Å; L41-I69 HydrophobicContact CD2-CD1 4.14Å; L41-I69 HydrophobicContact CD2-CG1 3.73Å; L42-I69 HydrophobicContact CD2-CG1 4.24Å; I45-I69 HydrophobicContact CD1-CG2 4.2Å; L56-I69 HydrophobicContact CD1-CD1 4.49Å; V61-I69 HydrophobicContact CG1-CD1 4.13Å; A65-I69 VanDerWaalsContact O-CG1 3.25Å; A65-I69 WeakPolarHBondContact O-CG1 3.43Å; A65-I69 PolarHBondContact O-N 2.76Å; A66-I69 PolarHBondContact O-N 3.04Å; I69-K71 VanDerWaalsContact C-N 3.3Å; I69-K71 PolarHBondContact O-N 3.09Å; I69-A72 PolarHBondContact O-N 3.04Å; I69-A72 VanDerWaalsContact O-N 3.09Å; I69-L73 HydrophobicContact CG2-CD1 4.01Å; I69-L73 HydrophobicContact CG2-CG 4.3Å; I69-L73 WeakPolarHBondContact O-CG 3.38Å; I69-L73 PolarHBondContact O-N 2.82Å; I69-L103 HydrophobicContact CB-CD2 4.16Å; I69-L103 HydrophobicContact CG2-CD2 3.79Å
70A98.2Very high97.3Very high6 Ų640.8 Ų40.85%0.0521%0.206CC..Hα-helixtrans-54.3-46.5177.900000111.4A66 K67 A72 L73 E74 C102 L103 A106A66-A70 WeakPolarHBondContact O-CB 3.05Å; A66-A70 PolarHBondContact O-N 3.01Å; K67-A70 WeakPolarHBondContact O-CB 3.49Å; K67-A70 PolarHBondContact O-N 3.05Å; A70-A72 VanDerWaalsContact C-N 3.31Å; A70-A72 PolarHBondContact O-N 3.14Å; A70-L73 WeakPolarHBondContact O-CA 3.48Å; A70-L73 WeakPolarHBondContact O-CB 3.16Å; A70-L73 PolarHBondContact O-N 3.49Å; A70-E74 PolarHBondContact O-N 3.48Å; A70-E74 VanDerWaalsContact O-N 3.14Å; A70-C102 HydrophobicContact CB-CB 4.23Å; A70-C102 WeakPolarHBondContact CB-O 3.11Å; A70-L103 HydrophobicContact CB-CD2 4.32Å; A70-A106 HydrophobicContact CB-CB 3.74Å; A70-A106 WeakPolarHBondContact O-CB 3.35Å
71K97.7Very high97.4Very high156 Ų15641.3 Ų41.368%0.67821%0.205SC*.Hα-helixtrans-58.2-40.7177.2-172.7177.2-179.4-1780113.1K67 A68 I69 L73 E74K67-K71 PolarHBondContact O-N 3.32Å; A68-K71 PolarHBondContact O-N 3.04Å; I69-K71 VanDerWaalsContact C-N 3.3Å; I69-K71 PolarHBondContact O-N 3.09Å; K71-L73 VanDerWaalsContact C-N 3.3Å; K71-L73 PolarHBondContact O-N 2.57Å; K71-E74 PolarHBondContact O-N 3.34Å
72A96.8Very high97.4Very high5 Ų541.3 Ų41.34%0.04121%0.205CC..Hα-helixtrans-67.6-32.7176.300000112.2L42 I45 E46 A68 I69 A70 S75L42-A72 HydrophobicContact CD2-CB 3.96Å; I45-A72 HydrophobicContact CB-CB 4.28Å; I45-A72 HydrophobicContact CG2-CB 3.74Å; E46-A72 HydrophobicContact CG-CB 4.17Å; A68-A72 PolarHBondContact O-N 3.03Å; I69-A72 PolarHBondContact O-N 3.04Å; I69-A72 VanDerWaalsContact O-N 3.09Å; A70-A72 VanDerWaalsContact C-N 3.31Å; A70-A72 PolarHBondContact O-N 3.14Å; A72-S75 PolarHBondContact O-OG 3.41Å; A72-S75 VanDerWaalsContact O-OG 3.06Å
73L97.6Very high97.5Very high1 Ų142.5 Ų42.51%0.00521%0.209CC..Hα-helixtrans-73.6-21.5179.3-70.4-178.7000114.4I45 L51 L54 I69 A70 K71 S75 K76 L79 W84 L103 A106 A110I45-L73 HydrophobicContact CD1-CD2 4.47Å; I45-L73 HydrophobicContact CG2-CD2 4.16Å; L51-L73 HydrophobicContact CD2-CD2 4.14Å; L54-L73 HydrophobicContact CD2-CD1 4.23Å; L54-L73 HydrophobicContact CD2-CD2 4.09Å; I69-L73 HydrophobicContact CG2-CD1 4.01Å; I69-L73 HydrophobicContact CG2-CG 4.3Å; I69-L73 WeakPolarHBondContact O-CG 3.38Å; I69-L73 PolarHBondContact O-N 2.82Å; A70-L73 WeakPolarHBondContact O-CA 3.48Å; A70-L73 WeakPolarHBondContact O-CB 3.16Å; A70-L73 PolarHBondContact O-N 3.49Å; K71-L73 VanDerWaalsContact C-N 3.3Å; K71-L73 PolarHBondContact O-N 2.57Å; L73-S75 PolarHBondContact O-N 2.98Å; L73-K76 HydrophobicContact CD2-CB 4.47Å; L73-K76 HydrophobicContact CD2-CG 4.27Å; L73-K76 WeakPolarHBondContact O-CB 3.15Å; L73-K76 PolarHBondContact O-N 3.28Å; L73-L79 HydrophobicContact CD1-CD2 4.46Å; L73-L79 HydrophobicContact CD2-CD2 3.85Å; L73-W84 HydrophobicContact CD1-CZ2 4.32Å; L73-L103 HydrophobicContact CD1-CD2 4.3Å; L73-A106 HydrophobicContact CB-CB 4.1Å; L73-A110 WeakPolarHBondContact O-CB 3.34Å
74E96.7Very high97.5Very high105 Ų10541.8 Ų41.849%0.49121%0.205SC..THydrogen-bonded Turntrans-57.6-22.7178-71.8175.3172.800113.3A70 K71 A106 A110A70-E74 PolarHBondContact O-N 3.48Å; A70-E74 VanDerWaalsContact O-N 3.14Å; K71-E74 PolarHBondContact O-N 3.34Å; E74-A106 HydrophobicContact CG-CB 3.98Å; E74-A110 WeakPolarHBondContact O-CA 3.23Å
75S95Very high97.5Very high78 Ų7837.5 Ų37.555%0.54519%0.185SC..THydrogen-bonded Turntrans-91.70.7176.9690000114.6A72 L73A72-S75 PolarHBondContact O-OG 3.41Å; A72-S75 VanDerWaalsContact O-OG 3.06Å; L73-S75 PolarHBondContact O-N 2.98Å
76K96.3Very high97.5Very high16 Ų1640.1 Ų40.17%0.0720%0.2CC..  trans-109.167.3-169-53.8-58.2179178.20111.6I45 E46 Y48 L51 L73 Q78 L79I45-K76 HydrophobicContact CG2-CG 4.35Å; I45-K76 WeakPolarHBondContact O-CE 3.35Å; I45-K76 PolarHBondContact O-NZ 2.85Å; E46-K76 PolarHBondContact O-NZ 3.29Å; Y48-K76 PolarHBondContact O-NZ 3.33Å; L51-K76 HydrophobicContact CB-CD 4.12Å; L51-K76 HydrophobicContact CB-CG 4.47Å; L51-K76 HydrophobicContact CD2-CB 4.47Å; L51-K76 HydrophobicContact CD2-CD 4.46Å; L51-K76 HydrophobicContact CD2-CG 4.1Å; L73-K76 HydrophobicContact CD2-CB 4.47Å; L73-K76 HydrophobicContact CD2-CG 4.27Å; L73-K76 WeakPolarHBondContact O-CB 3.15Å; L73-K76 PolarHBondContact O-N 3.28Å; K76-Q78 PolarHBondContact O-N 2.84Å; K76-L79 HydrophobicContact CB-CB 4.48Å; K76-L79 VanDerWaalsContact O-CB 3.32Å; K76-L79 WeakPolarHBondContact O-CB 3.22Å; K76-L79 PolarHBondContact O-N 3.22Å
77D95.4Very high97.4Very high98 Ų9840.1 Ų40.152%0.52420%0.2SC..THydrogen-bonded Turntrans-61.5-26.6-179.967-27.7000114.5L79 A110D77-L79 VanDerWaalsContact C-N 3.3Å; D77-L79 PolarHBondContact O-N 2.96Å; D77-A110 WeakPolarHBondContact CA-O 3.37Å; D77-A110 VanDerWaalsContact CB-O 3.27Å; D77-A110 WeakPolarHBondContact CB-O 3.48Å
78Q96.5Very high97.4Very high87 Ų8736.5 Ų36.541%0.40718%0.184SC..THydrogen-bonded Turntrans-83.71.6178.6-65-176.627.300114.3L51 R52 K76 Q80L51-Q78 CarbonylContact O-C 3.05Å; L51-Q78 VanDerWaalsContact O-C 3.24Å; R52-Q78 WeakPolarHBondContact CA-O 3.35Å; K76-Q78 PolarHBondContact O-N 2.84Å; Q78-Q80 WeakPolarHBondContact O-CG 3.33Å; Q78-Q80 PolarHBondContact O-N 3.37Å
79L97.4Very high97.2Very high0 Ų039.6 Ų39.60%020%0.201CC..  trans-66.7126.9-179.3-173.259.5000110.5L51 L54 L73 K76 D77 L107 A112 R113L51-L79 HydrophobicContact CD2-CD1 4.46Å; L51-L79 HydrophobicContact CG-CD1 4.25Å; L51-L79 WeakPolarHBondContact O-CA 3.44Å; L51-L79 PolarHBondContact O-N 2.97Å; L54-L79 HydrophobicContact CB-CD1 4.32Å; L73-L79 HydrophobicContact CD1-CD2 4.46Å; L73-L79 HydrophobicContact CD2-CD2 3.85Å; K76-L79 HydrophobicContact CB-CB 4.48Å; K76-L79 VanDerWaalsContact O-CB 3.32Å; K76-L79 WeakPolarHBondContact O-CB 3.22Å; K76-L79 PolarHBondContact O-N 3.22Å; D77-L79 VanDerWaalsContact C-N 3.3Å; D77-L79 PolarHBondContact O-N 2.96Å; L79-L107 HydrophobicContact CD2-CD2 3.45Å; L79-L107 VanDerWaalsContact CD2-CD2 3.45Å; L79-L107 HydrophobicContact CG-CD2 4.29Å; L79-A112 HydrophobicContact CB-CB 4.32Å; L79-A112 WeakPolarHBondContact O-CB 3.35Å; L79-R113 PolarHBondContact O-N 3.02Å
80Q98Very high97Very high62 Ų6243.5 Ų43.529%0.2924%0.242SC..  trans-125-31.1-173.8-72.2172.9-3.500112.5R52 Q78 R113 L114 T115 E116R52-Q80 PolarHBondContact O-N 2.83Å; Q78-Q80 WeakPolarHBondContact O-CG 3.33Å; Q78-Q80 PolarHBondContact O-N 3.37Å; Q80-R113 WeakPolarHBondContact CG-O 3.45Å; Q80-L114 CarbonylContact O-C 3.51Å; Q80-L114 VanDerWaalsContact O-CA 3.27Å; Q80-L114 WeakPolarHBondContact O-CA 3.49Å; Q80-T115 HydrophobicContact CB-CG2 4.48Å; Q80-T115 PolarHBondContact O-N 2.92Å; Q80-T115 PolarHBondContact O-OG1 2.66Å; Q80-E116 PolarHBondContact O-N 3.1Å
81R98.6Very high96.8Very high39 Ų3945.9 Ų45.915%0.14725%0.25CC..EExtended strand (participates in β ladder)trans-127.2122.3-172.9-57.1177.2-74-155.3-9111D20 R52 A53 L54 Y83 E116D20-R81 IonicContact OD2-CZ 2.69Å; D20-R81 IonicContact OD2-NH1 3.73Å; D20-R81 IonicContact OD2-NH2 2.78Å; D20-R81 PolarHBondContact OD2-NH2 2.77Å; R52-R81 PolarHBondContact O-N 2.78Å; A53-R81 CarbonylContact C-O 3.6Å; A53-R81 VanDerWaalsContact CA-O 3.22Å; A53-R81 WeakPolarHBondContact CA-O 3.44Å; A53-R81 HydrophobicContact CB-CB 3.81Å; L54-R81 PolarHBondContact N-O 3.37Å; R81-Y83 HydrophobicContact CB-CE2 3.89Å; R81-E116 WeakPolarHBondContact CA-O 3.27Å; R81-E116 HydrophobicContact CB-CB 4.22Å; R81-E116 VanDerWaalsContact CD-CD 3.45Å; R81-E116 WeakPolarHBondContact CD-OE1 3.21Å; R81-E116 HydrophobicContact CG-CB 3.93Å; R81-E116 HydrophobicContact CG-CG 4.05Å
82C98.6Very high96.6Very high0 Ų044 Ų440%025%0.247CC..EExtended strand (participates in β ladder)trans-116.9108.1178.4-69.60000108.6W84 E116 L117 D118C82-W84 HydrophobicContact CB-CD2 3.72Å; C82-W84 HydrophobicContact CB-CE3 4.07Å; C82-W84 HydrophobicContact CB-CG 4.2Å; C82-W84 HydrophobicContact CB-CH2 4.2Å; C82-W84 HydrophobicContact CB-CZ2 3.81Å; C82-W84 HydrophobicContact CB-CZ3 4.3Å; C82-W84 WeakPolarHBondContact SG-CZ2 3.32Å; C82-E116 PolarHBondContact N-O 3.29Å; C82-L117 HydrophobicContact CB-CD1 3.77Å; C82-D118 PolarHBondContact O-N 3.18Å
83Y98.4Very high96.3Very high26 Ų2649.1 Ų49.110%0.10226%0.264CS..EExtended strand (participates in β ladder)trans-103.988.8177-50.6-80.1000108.9A53 L54 R55 L56 R81 E116 D118A53-Y83 HydrophobicContact CB-CE2 4.05Å; L54-Y83 PolarHBondContact O-N 3.37Å; R55-Y83 HydrophobicContact CB-CD2 4.43Å; R55-Y83 HydrophobicContact CG-CD2 3.31Å; R55-Y83 HydrophobicContact CG-CE2 4.06Å; R55-Y83 HydrophobicContact CG-CG 3.88Å; R55-Y83 VanDerWaalsContact NH2-CE2 3.33Å; R55-Y83 PolarHBondContact NH2-OH 2.94Å; L56-Y83 PolarHBondContact N-O 3.03Å; R81-Y83 HydrophobicContact CB-CE2 3.89Å; Y83-E116 WeakPolarHBondContact CE1-OE2 3.42Å; Y83-E116 PolarHBondContact OH-OE2 2.84Å; Y83-D118 HydrophobicContact CD1-CB 4.43Å
84W98.1Very high96.1Very high1 Ų153.4 Ų53.40%0.00430%0.295CS..  trans-118.126.3-167.9-68.4-8.7000110.8L73 C82 M87 L103 L107 L117 D118 L119 N122L73-W84 HydrophobicContact CD1-CZ2 4.32Å; C82-W84 HydrophobicContact CB-CD2 3.72Å; C82-W84 HydrophobicContact CB-CE3 4.07Å; C82-W84 HydrophobicContact CB-CG 4.2Å; C82-W84 HydrophobicContact CB-CH2 4.2Å; C82-W84 HydrophobicContact CB-CZ2 3.81Å; C82-W84 HydrophobicContact CB-CZ3 4.3Å; C82-W84 WeakPolarHBondContact SG-CZ2 3.32Å; W84-M87 HydrophobicContact CB-SD 3.44Å; W84-M87 WeakPolarHBondContact CB-SD 3.32Å; W84-M87 HydrophobicContact CD2-SD 4.45Å; W84-M87 HydrophobicContact CG-SD 3.79Å; W84-M87 WeakPolarHBondContact O-CG 3.46Å; W84-L103 HydrophobicContact CE3-CD1 4.42Å; W84-L103 HydrophobicContact CH2-CB 3.78Å; W84-L103 HydrophobicContact CH2-CD1 4.37Å; W84-L103 HydrophobicContact CZ3-CB 3.95Å; W84-L103 HydrophobicContact CZ3-CD1 4.28Å; W84-L107 HydrophobicContact CH2-CD1 3.55Å; W84-L107 HydrophobicContact CH2-CD2 4.4Å; W84-L107 HydrophobicContact CH2-CG 4.1Å; W84-L107 HydrophobicContact CZ2-CD1 4.48Å; W84-L107 HydrophobicContact CZ3-CD1 4.05Å; W84-L117 HydrophobicContact CE3-CD1 4.04Å; W84-L117 HydrophobicContact CZ3-CD1 4.35Å; W84-D118 CarbonylContact C-O 3.44Å; W84-D118 VanDerWaalsContact CA-O 3.24Å; W84-D118 WeakPolarHBondContact CA-O 3.17Å; W84-D118 WeakPolarHBondContact CB-O 3.33Å; W84-D118 PolarHBondContact N-O 2.92Å; W84-L119 HydrophobicContact CB-CD2 3.84Å; W84-L119 HydrophobicContact CE3-CD2 4.16Å; W84-N122 PolarHBondContact O-ND2 3.17Å
85S98Very high96Very high6 Ų650.5 Ų50.54%0.04228%0.281CS..THydrogen-bonded Turntrans-67.8152.6172.347.80000111.2E57 M87 D118 S120E57-S85 VanDerWaalsContact CA-O 3.23Å; E57-S85 WeakPolarHBondContact CA-O 3.49Å; E57-S85 WeakPolarHBondContact CG-OG 3.06Å; S85-M87 PolarHBondContact O-N 3.46Å; S85-D118 PolarHBondContact N-O 3.04Å; S85-S120 CarbonylContact C-O 3.49Å; S85-S120 WeakPolarHBondContact CA-O 3.47Å; S85-S120 WeakPolarHBondContact CB-O 3.26Å
86D97.6Very high95.9Very high56 Ų5646.9 Ų46.930%0.29926%0.256SS..THydrogen-bonded Turntrans41.648.4176.2-173.829.3000113.9G58 N59 T89 S120 D121G58-D86 WeakPolarHBondContact CA-O 3.29Å; G58-D86 PolarHBondContact N-O 2.77Å; N59-D86 PolarHBondContact N-O 3.46Å; D86-T89 WeakPolarHBondContact OD1-CB 3.24Å; D86-T89 PolarHBondContact OD1-OG1 3.29Å; D86-S120 PolarHBondContact N-O 3.49Å; D86-D121 HydrophobicContact CB-CB 4.09Å
87M96.6Very high95.9Very high0 Ų047.2 Ų47.20%026%0.259CS..  trans-109.1-2.1-177.377.5175.4-68.800113.3L56 N59 T60 V61 W84 S85 L103 N122L56-M87 HydrophobicContact CB-CE 4.25Å; L56-M87 HydrophobicContact CD1-CE 3.67Å; N59-M87 CarbonylContact O-C 3.56Å; N59-M87 WeakPolarHBondContact O-CA 3.34Å; N59-M87 VanDerWaalsContact O-O 3.14Å; T60-M87 CarbonylContact C-O 3.55Å; T60-M87 WeakPolarHBondContact CA-O 3.41Å; V61-M87 HydrophobicContact CB-CE 3.62Å; V61-M87 HydrophobicContact CG1-CE 3.98Å; V61-M87 HydrophobicContact CG2-CE 3.38Å; V61-M87 PolarHBondContact N-O 3.2Å; W84-M87 HydrophobicContact CB-SD 3.44Å; W84-M87 WeakPolarHBondContact CB-SD 3.32Å; W84-M87 HydrophobicContact CD2-SD 4.45Å; W84-M87 HydrophobicContact CG-SD 3.79Å; W84-M87 WeakPolarHBondContact O-CG 3.46Å; S85-M87 PolarHBondContact O-N 3.46Å; M87-L103 HydrophobicContact CE-CD1 4.18Å; M87-N122 PolarHBondContact N-OD1 3.2Å
88F96.8Very high95.9Very high9 Ų945.2 Ų45.24%0.03925%0.251CS..BIsolated β-bridgetrans-12015-178-64.9-60.9000113.5V61 G90 R91 I96 A99 L100 N122V61-F88 HydrophobicContact CB-CE1 4.25Å; V61-F88 WeakPolarHBondContact O-CD1 3.19Å; V61-F88 VanDerWaalsContact O-CE1 3.23Å; V61-F88 WeakPolarHBondContact O-CE1 2.99Å; F88-G90 PolarHBondContact O-N 2.98Å; F88-R91 HydrophobicContact CB-CB 4.42Å; F88-R91 HydrophobicContact CB-CG 4.43Å; F88-R91 HydrophobicContact CD1-CG 4.28Å; F88-R91 WeakPolarHBondContact O-CB 3.44Å; F88-R91 PolarHBondContact O-N 2.88Å; F88-I96 HydrophobicContact CB-CD1 3.93Å; F88-I96 HydrophobicContact CB-CG1 3.85Å; F88-I96 HydrophobicContact CD1-CG1 4.27Å; F88-I96 HydrophobicContact CD2-CB 4.43Å; F88-I96 HydrophobicContact CD2-CG1 4.09Å; F88-I96 HydrophobicContact CD2-CG2 3.76Å; F88-I96 HydrophobicContact CE2-CG2 3.9Å; F88-I96 HydrophobicContact CG-CD1 4.34Å; F88-I96 HydrophobicContact CG-CG1 3.82Å; F88-I96 HydrophobicContact CG-CG2 4.35Å; F88-A99 HydrophobicContact CE1-CB 3.57Å; F88-A99 HydrophobicContact CZ-CB 3.75Å; F88-L100 HydrophobicContact CE2-CD1 4.34Å; F88-L100 HydrophobicContact CE2-CD2 3.88Å; F88-L100 HydrophobicContact CE2-CG 3.91Å; F88-L100 HydrophobicContact CZ-CD2 4.15Å; F88-L100 HydrophobicContact CZ-CG 4.12Å; F88-N122 HydrophobicContact CD2-CB 4.1Å; F88-N122 VanDerWaalsContact CD2-OD1 3.27Å; F88-N122 WeakPolarHBondContact CD2-OD1 3.1Å; F88-N122 PolarHBondContact N-OD1 3.36Å
89T94.5Very high95.9Very high80 Ų8041.1 Ų41.149%0.49123%0.232SC..THydrogen-bonded Turntrans-58.3125.1178.4-77.50000111T60 D86T60-T89 WeakPolarHBondContact CG2-O 3.37Å; T60-T89 PolarHBondContact OG1-O 2.69Å; D86-T89 WeakPolarHBondContact OD1-CB 3.24Å; D86-T89 PolarHBondContact OD1-OG1 3.29Å
90G93.6Very high96Very high83 Ų8341.1 Ų41.186%0.85623%0.232SC*.THydrogen-bonded Turntrans83.4-3.5-176.200000115.8F88F88-G90 PolarHBondContact O-N 2.98Å
91R94.6Very high96Very high56 Ų5643 Ų4321%0.21124%0.242CC..SBendtrans-81.4157.7172.7-60.5-51.8-62.1-156.9-8.3112D33 T60 F88 E95D33-R91 IonicContact OD1-CZ 3.26Å; D33-R91 IonicContact OD1-NH1 3.54Å; D33-R91 PolarHBondContact OD1-NH1 2.98Å; T60-R91 HydrophobicContact CG2-CG 3.86Å; F88-R91 HydrophobicContact CB-CB 4.42Å; F88-R91 HydrophobicContact CB-CG 4.43Å; F88-R91 HydrophobicContact CD1-CG 4.28Å; F88-R91 WeakPolarHBondContact O-CB 3.44Å; F88-R91 PolarHBondContact O-N 2.88Å; R91-E95 IonicContact CZ-OE1 3.58Å; R91-E95 IonicContact CZ-OE2 3.93Å; R91-E95 IonicContact NE-OE1 3.01Å; R91-E95 IonicContact NE-OE2 2.65Å; R91-E95 PolarHBondContact NE-OE2 3.01Å; R91-E95 IonicContact NH2-OE1 3.31Å; R91-E95 PolarHBondContact NH2-OE1 2.9Å; R91-E95 IonicContact NH2-OE2 3.69Å; R91-E95 PolarHBondContact NH2-OE2 3.29Å
92L93.3Very high95.9Very high117 Ų11742.7 Ų42.761%0.61325%0.246SC*.  trans-70.3138.3171.6-63173.4000109.5S94 E95L92-S94 PolarHBondContact O-N 2.77Å; L92-S94 VanDerWaalsContact O-N 3.1Å; L92-E95 HydrophobicContact CB-CG 4.02Å; L92-E95 PolarHBondContact N-OE2 2.78Å; L92-E95 WeakPolarHBondContact O-CB 3.41Å; L92-E95 PolarHBondContact O-N 3.05Å
93R91Very high95.9Very high111 Ų11142.7 Ų42.742%0.41925%0.246SC..THydrogen-bonded Turntrans-53.4-34.7177.3177.8178.1166-125.1-18.4113.1E95 I96 P97 F124 G125 P126 D127R93-E95 PolarHBondContact O-N 3.45Å; R93-I96 PolarHBondContact O-N 3.22Å; R93-P97 VanDerWaalsContact O-CD 3.3Å; R93-P97 WeakPolarHBondContact O-CD 3.27Å; R93-F124 PolarHBondContact NE-O 3.28Å; R93-G125 VanDerWaalsContact NE-CA 3.33Å; R93-P126 VanDerWaalsContact NH2-CD 3.29Å; R93-D127 IonicContact NH2-OD2 3.9Å; R93-D127 PolarHBondContact NH2-OD2 3.31Å
94S92.7Very high95.9Very high92 Ų9241.6 Ų41.664%0.64324%0.242SC*.THydrogen-bonded Turntrans-68.5-18.6178.753.90000114.2L92L92-S94 PolarHBondContact O-N 2.77Å; L92-S94 VanDerWaalsContact O-N 3.1Å
95E94.1Very high95.9Very high43 Ų4342.8 Ų42.820%0.20125%0.254CS..THydrogen-bonded Turntrans-82.7-29.9179.3-67.2-177.7105.500112.7V63 R91 L92 R93 T98 A99V63-E95 HydrophobicContact CG2-CB 3.69Å; V63-E95 HydrophobicContact CG2-CG 4Å; R91-E95 IonicContact CZ-OE1 3.58Å; R91-E95 IonicContact CZ-OE2 3.93Å; R91-E95 IonicContact NE-OE1 3.01Å; R91-E95 IonicContact NE-OE2 2.65Å; R91-E95 PolarHBondContact NE-OE2 3.01Å; R91-E95 IonicContact NH2-OE1 3.31Å; R91-E95 PolarHBondContact NH2-OE1 2.9Å; R91-E95 IonicContact NH2-OE2 3.69Å; R91-E95 PolarHBondContact NH2-OE2 3.29Å; L92-E95 HydrophobicContact CB-CG 4.02Å; L92-E95 PolarHBondContact N-OE2 2.78Å; L92-E95 WeakPolarHBondContact O-CB 3.41Å; L92-E95 PolarHBondContact O-N 3.05Å; R93-E95 PolarHBondContact O-N 3.45Å; E95-T98 PolarHBondContact O-N 2.85Å; E95-T98 VanDerWaalsContact O-N 3.11Å; E95-A99 PolarHBondContact O-N 3.32Å
96I94.6Very high95.9Very high2 Ų242.5 Ų42.51%0.0125%0.252CS..Hα-helixtrans-57.1-49.9-173.9-61.5173.3000111.9F88 R93 T98 A99 L100 A123 F124F88-I96 HydrophobicContact CB-CD1 3.93Å; F88-I96 HydrophobicContact CB-CG1 3.85Å; F88-I96 HydrophobicContact CD1-CG1 4.27Å; F88-I96 HydrophobicContact CD2-CB 4.43Å; F88-I96 HydrophobicContact CD2-CG1 4.09Å; F88-I96 HydrophobicContact CD2-CG2 3.76Å; F88-I96 HydrophobicContact CE2-CG2 3.9Å; F88-I96 HydrophobicContact CG-CD1 4.34Å; F88-I96 HydrophobicContact CG-CG1 3.82Å; F88-I96 HydrophobicContact CG-CG2 4.35Å; R93-I96 PolarHBondContact O-N 3.22Å; I96-T98 VanDerWaalsContact C-N 3.27Å; I96-T98 PolarHBondContact O-N 3.46Å; I96-A99 PolarHBondContact O-N 3.11Å; I96-L100 HydrophobicContact CG2-CD1 3.72Å; I96-L100 HydrophobicContact CG2-CG 4.31Å; I96-L100 WeakPolarHBondContact O-CB 3.49Å; I96-L100 WeakPolarHBondContact O-CG 3.48Å; I96-L100 PolarHBondContact O-N 3.43Å; I96-A123 HydrophobicContact CD1-CB 4.49Å; I96-A123 VanDerWaalsContact CD1-O 3.31Å; I96-A123 WeakPolarHBondContact CD1-O 3.43Å; I96-F124 HydrophobicContact CG2-CD1 3.88Å; I96-F124 HydrophobicContact CG2-CE1 4.11Å
97P95.1Very high96Very high23 Ų2339.9 Ų39.915%0.14924%0.238CC..Hα-helixtrans-58.4-40.6177.4-20.129.2000112.3R93 L100 M101R93-P97 VanDerWaalsContact O-CD 3.3Å; R93-P97 WeakPolarHBondContact O-CD 3.27Å; P97-L100 PolarHBondContact O-N 2.9Å; P97-M101 WeakPolarHBondContact O-CB 3.36Å; P97-M101 VanDerWaalsContact O-CG 3.25Å; P97-M101 WeakPolarHBondContact O-CG 3.31Å; P97-M101 PolarHBondContact O-N 3.11Å
98T96.6Very high96.1Very high56 Ų5643.1 Ų43.134%0.34425%0.254SS..Hα-helixtrans-66.2-46.2-179.4-53.50000111.8V63 E95 I96 L100 M101 C102V63-T98 HydrophobicContact CG1-CG2 3.69Å; V63-T98 HydrophobicContact CG2-CG2 4.49Å; E95-T98 PolarHBondContact O-N 2.85Å; E95-T98 VanDerWaalsContact O-N 3.11Å; I96-T98 VanDerWaalsContact C-N 3.27Å; I96-T98 PolarHBondContact O-N 3.46Å; T98-L100 PolarHBondContact O-N 2.88Å; T98-M101 PolarHBondContact O-N 2.79Å; T98-C102 PolarHBondContact O-N 3.42Å; T98-C102 VanDerWaalsContact O-N 3.13Å; T98-C102 PolarHBondContact O-SG 3.15Å; T98-C102 VanDerWaalsContact O-SG 3.35Å
99A96.9Very high96.1Very high1 Ų147.1 Ų47.11%0.00828%0.283CS..Hα-helixtrans-59.9-46.5175.900000111.5A66 F88 E95 I96 M101 C102 L103A66-A99 HydrophobicContact CB-CB 3.63Å; F88-A99 HydrophobicContact CE1-CB 3.57Å; F88-A99 HydrophobicContact CZ-CB 3.75Å; E95-A99 PolarHBondContact O-N 3.32Å; I96-A99 PolarHBondContact O-N 3.11Å; A99-M101 PolarHBondContact O-N 2.77Å; A99-C102 WeakPolarHBondContact O-CB 3.39Å; A99-C102 PolarHBondContact O-N 3.37Å; A99-L103 WeakPolarHBondContact O-CG 3.17Å; A99-L103 PolarHBondContact O-N 3.32Å; A99-L103 VanDerWaalsContact O-N 3.11Å
100L97.6Very high96.3Very high0 Ų043.9 Ų43.90%027%0.265CS..Hα-helixtrans-65.3-36.2177.9-72.1174.5000113F88 I96 P97 T98 C102 L103 S104 L119 F124 G131 I132F88-L100 HydrophobicContact CE2-CD1 4.34Å; F88-L100 HydrophobicContact CE2-CD2 3.88Å; F88-L100 HydrophobicContact CE2-CG 3.91Å; F88-L100 HydrophobicContact CZ-CD2 4.15Å; F88-L100 HydrophobicContact CZ-CG 4.12Å; I96-L100 HydrophobicContact CG2-CD1 3.72Å; I96-L100 HydrophobicContact CG2-CG 4.31Å; I96-L100 WeakPolarHBondContact O-CB 3.49Å; I96-L100 WeakPolarHBondContact O-CG 3.48Å; I96-L100 PolarHBondContact O-N 3.43Å; P97-L100 PolarHBondContact O-N 2.9Å; T98-L100 PolarHBondContact O-N 2.88Å; L100-C102 VanDerWaalsContact C-N 3.33Å; L100-C102 PolarHBondContact O-N 3.48Å; L100-L103 PolarHBondContact O-N 3.49Å; L100-S104 WeakPolarHBondContact O-CB 3.43Å; L100-S104 PolarHBondContact O-N 3.35Å; L100-S104 PolarHBondContact O-OG 2.95Å; L100-L119 HydrophobicContact CD2-CD2 3.64Å; L100-F124 HydrophobicContact CD1-CD1 4.39Å; L100-F124 HydrophobicContact CD1-CE1 3.59Å; L100-F124 HydrophobicContact CD1-CZ 3.67Å; L100-G131 CarbonylContact C-O 3.36Å; L100-I132 HydrophobicContact CB-CG2 4.21Å; L100-I132 HydrophobicContact CD1-CG2 4.18Å; L100-I132 HydrophobicContact CD2-CG2 4.36Å; L100-I132 HydrophobicContact CG-CG2 4.5Å
101M98.1Very high96.4Very high101 Ų10142.1 Ų42.150%0.49825%0.247SC..Hα-helixtrans-63-39.5174.1-78.7-173.8-67.100111.7P97 T98 A99 G105 G131P97-M101 WeakPolarHBondContact O-CB 3.36Å; P97-M101 VanDerWaalsContact O-CG 3.25Å; P97-M101 WeakPolarHBondContact O-CG 3.31Å; P97-M101 PolarHBondContact O-N 3.11Å; T98-M101 PolarHBondContact O-N 2.79Å; A99-M101 PolarHBondContact O-N 2.77Å; M101-G105 PolarHBondContact O-N 3.33Å; M101-G131 PolarHBondContact N-O 3.01Å
102C98.2Very high96.5Very high34 Ų3439.5 Ų39.523%0.2324%0.237CC..Hα-helixtrans-63.2-49.9175.7-66.50000111.4K67 A70 T98 A99 L100 G105 A106K67-C102 HydrophobicContact CG-CB 4.19Å; K67-C102 WeakPolarHBondContact CG-SG 3.23Å; A70-C102 HydrophobicContact CB-CB 4.23Å; A70-C102 WeakPolarHBondContact CB-O 3.11Å; T98-C102 PolarHBondContact O-N 3.42Å; T98-C102 VanDerWaalsContact O-N 3.13Å; T98-C102 PolarHBondContact O-SG 3.15Å; T98-C102 VanDerWaalsContact O-SG 3.35Å; A99-C102 WeakPolarHBondContact O-CB 3.39Å; A99-C102 PolarHBondContact O-N 3.37Å; L100-C102 VanDerWaalsContact C-N 3.33Å; L100-C102 PolarHBondContact O-N 3.48Å; C102-G105 PolarHBondContact O-N 3.24Å; C102-A106 PolarHBondContact O-N 3.3Å; C102-A106 VanDerWaalsContact O-N 3.11Å
103L98.3Very high96.7Very high0 Ų040.5 Ų40.50%023%0.232CC..Hα-helixtrans-62.3-45.8178.4-65.4172.8000111.6A66 I69 A70 L73 W84 M87 A99 L100 G105 A106 L107A66-L103 HydrophobicContact CB-CG 4.32Å; I69-L103 HydrophobicContact CB-CD2 4.16Å; I69-L103 HydrophobicContact CG2-CD2 3.79Å; A70-L103 HydrophobicContact CB-CD2 4.32Å; L73-L103 HydrophobicContact CD1-CD2 4.3Å; W84-L103 HydrophobicContact CE3-CD1 4.42Å; W84-L103 HydrophobicContact CH2-CB 3.78Å; W84-L103 HydrophobicContact CH2-CD1 4.37Å; W84-L103 HydrophobicContact CZ3-CB 3.95Å; W84-L103 HydrophobicContact CZ3-CD1 4.28Å; M87-L103 HydrophobicContact CE-CD1 4.18Å; A99-L103 WeakPolarHBondContact O-CG 3.17Å; A99-L103 PolarHBondContact O-N 3.32Å; A99-L103 VanDerWaalsContact O-N 3.11Å; L100-L103 PolarHBondContact O-N 3.49Å; L103-G105 VanDerWaalsContact C-N 3.34Å; L103-G105 PolarHBondContact O-N 3.13Å; L103-A106 PolarHBondContact O-N 2.95Å; L103-L107 WeakPolarHBondContact O-CG 3.3Å; L103-L107 PolarHBondContact O-N 3.35Å
104S98.1Very high97.1Very high3 Ų335.2 Ų35.22%0.02121%0.212CC..Hα-helixtrans-57.1-45.3175.4-69.40000112.2L100 A106 L107 M108 G131L100-S104 WeakPolarHBondContact O-CB 3.43Å; L100-S104 PolarHBondContact O-N 3.35Å; L100-S104 PolarHBondContact O-OG 2.95Å; S104-A106 VanDerWaalsContact C-N 3.34Å; S104-A106 PolarHBondContact O-N 3.11Å; S104-L107 PolarHBondContact O-N 3.45Å; S104-M108 WeakPolarHBondContact O-CG 3.47Å; S104-M108 PolarHBondContact O-N 3.34Å; S104-G131 PolarHBondContact OG-O 2.73Å
105G98.4Very high97.3Very high25 Ų2532.6 Ų32.626%0.25819%0.192SC..Hα-helixtrans-57.9-45.5176.500000112.2M101 C102 L103 M108 S109M101-G105 PolarHBondContact O-N 3.33Å; C102-G105 PolarHBondContact O-N 3.24Å; L103-G105 VanDerWaalsContact C-N 3.34Å; L103-G105 PolarHBondContact O-N 3.13Å; G105-M108 PolarHBondContact O-N 3.37Å; G105-S109 WeakPolarHBondContact O-CB 3.27Å; G105-S109 PolarHBondContact O-N 2.78Å; G105-S109 PolarHBondContact O-OG 3.19Å; G105-S109 VanDerWaalsContact O-OG 3.06Å
106A98.3Very high97.6Very high1 Ų132.4 Ų32.41%0.00819%0.191CC..Hα-helixtrans-64-41.9177.200000113.1A70 L73 E74 C102 L103 S104 M108 S109 A110A70-A106 HydrophobicContact CB-CB 3.74Å; A70-A106 WeakPolarHBondContact O-CB 3.35Å; L73-A106 HydrophobicContact CB-CB 4.1Å; E74-A106 HydrophobicContact CG-CB 3.98Å; C102-A106 PolarHBondContact O-N 3.3Å; C102-A106 VanDerWaalsContact O-N 3.11Å; L103-A106 PolarHBondContact O-N 2.95Å; S104-A106 VanDerWaalsContact C-N 3.34Å; S104-A106 PolarHBondContact O-N 3.11Å; A106-M108 VanDerWaalsContact C-N 3.32Å; A106-M108 PolarHBondContact O-N 3.5Å; A106-S109 PolarHBondContact O-N 3.47Å; A106-A110 VanDerWaalsContact O-CB 3.26Å; A106-A110 WeakPolarHBondContact O-CB 3.5Å; A106-A110 PolarHBondContact O-N 3.33Å
107L98.4Very high97.8Very high1 Ų132.3 Ų32.31%0.00519%0.191CC..Hα-helixtrans-60.7-42.7176.2-66.3-178.7000112.1L79 W84 L103 S104 G111 A112 L114 L135 S140L79-L107 HydrophobicContact CD2-CD2 3.45Å; L79-L107 VanDerWaalsContact CD2-CD2 3.45Å; L79-L107 HydrophobicContact CG-CD2 4.29Å; W84-L107 HydrophobicContact CH2-CD1 3.55Å; W84-L107 HydrophobicContact CH2-CD2 4.4Å; W84-L107 HydrophobicContact CH2-CG 4.1Å; W84-L107 HydrophobicContact CZ2-CD1 4.48Å; W84-L107 HydrophobicContact CZ3-CD1 4.05Å; L103-L107 WeakPolarHBondContact O-CG 3.3Å; L103-L107 PolarHBondContact O-N 3.35Å; S104-L107 PolarHBondContact O-N 3.45Å; L107-G111 PolarHBondContact O-N 3.01Å; L107-A112 HydrophobicContact CB-CB 4.38Å; L107-A112 HydrophobicContact CD2-CB 4.21Å; L107-A112 WeakPolarHBondContact O-CB 3.47Å; L107-A112 PolarHBondContact O-N 3.46Å; L107-A112 VanDerWaalsContact O-N 3.11Å; L107-L114 HydrophobicContact CD1-CD1 4Å; L107-L114 HydrophobicContact CD1-CD2 4.34Å; L107-L135 HydrophobicContact CB-CD1 4.01Å; L107-L135 HydrophobicContact CD1-CD1 4.17Å; L107-L135 HydrophobicContact CD1-CD2 3.91Å; L107-S140 PolarHBondContact O-OG 2.71Å
108M98.3Very high97.9Very high68 Ų6832.5 Ų32.534%0.33519%0.191SC..Hα-helixtrans-65.2-45.8176.2-69.4-174-68.200111.6S104 G105 A106 A110 G111 Q134 L135S104-M108 WeakPolarHBondContact O-CG 3.47Å; S104-M108 PolarHBondContact O-N 3.34Å; G105-M108 PolarHBondContact O-N 3.37Å; A106-M108 VanDerWaalsContact C-N 3.32Å; A106-M108 PolarHBondContact O-N 3.5Å; M108-A110 PolarHBondContact O-N 3.38Å; M108-G111 PolarHBondContact O-N 2.95Å; M108-G111 VanDerWaalsContact O-N 3.15Å; M108-Q134 HydrophobicContact CE-CB 4.37Å; M108-L135 HydrophobicContact CG-CD1 4Å
109S98.1Very high98Very high92 Ų9229.8 Ų29.864%0.64317%0.174SC*.Hα-helixtrans-64.8-37.5179-65.90000113G105 A106 G111G105-S109 WeakPolarHBondContact O-CB 3.27Å; G105-S109 PolarHBondContact O-N 2.78Å; G105-S109 PolarHBondContact O-OG 3.19Å; G105-S109 VanDerWaalsContact O-OG 3.06Å; A106-S109 PolarHBondContact O-N 3.47Å; S109-G111 PolarHBondContact O-N 3.11Å
110A97.4Very high98.1Very high13 Ų1330.2 Ų30.211%0.10718%0.177CC..THydrogen-bonded Turntrans-68.2-16176.200000112.8L73 E74 D77 A106 M108 A112L73-A110 WeakPolarHBondContact O-CB 3.34Å; E74-A110 WeakPolarHBondContact O-CA 3.23Å; D77-A110 WeakPolarHBondContact CA-O 3.37Å; D77-A110 VanDerWaalsContact CB-O 3.27Å; D77-A110 WeakPolarHBondContact CB-O 3.48Å; A106-A110 VanDerWaalsContact O-CB 3.26Å; A106-A110 WeakPolarHBondContact O-CB 3.5Å; A106-A110 PolarHBondContact O-N 3.33Å; M108-A110 PolarHBondContact O-N 3.38Å; A110-A112 PolarHBondContact O-N 3.28Å
111G97.1Very high98.1Very high46 Ų4633.4 Ų33.447%0.47419%0.194SC..THydrogen-bonded Turntrans68.724.1-170.600000112.8L107 M108 S109L107-G111 PolarHBondContact O-N 3.01Å; M108-G111 PolarHBondContact O-N 2.95Å; M108-G111 VanDerWaalsContact O-N 3.15Å; S109-G111 PolarHBondContact O-N 3.11Å
112A97.1Very high98Very high0 Ų028.7 Ų28.70%017%0.171CC..  trans-56143.8178.300000110.4L79 L107 A110 S140L79-A112 HydrophobicContact CB-CB 4.32Å; L79-A112 WeakPolarHBondContact O-CB 3.35Å; L107-A112 HydrophobicContact CB-CB 4.38Å; L107-A112 HydrophobicContact CD2-CB 4.21Å; L107-A112 WeakPolarHBondContact O-CB 3.47Å; L107-A112 PolarHBondContact O-N 3.46Å; L107-A112 VanDerWaalsContact O-N 3.11Å; A110-A112 PolarHBondContact O-N 3.28Å; A112-S140 WeakPolarHBondContact O-CA 3.08Å; A112-S140 WeakPolarHBondContact O-CB 3.08Å; A112-S140 PolarHBondContact O-OG 3.15Å
113R96.9Very high97.8Very high139 Ų13930.2 Ų30.253%0.52519%0.186SC..  trans-118.985.9-179.6-65.2-171.471.5-168.15.8109.3L79 Q80 T143L79-R113 PolarHBondContact O-N 3.02Å; Q80-R113 WeakPolarHBondContact CG-O 3.45Å; R113-T143 PolarHBondContact O-OG1 3.04Å
114L98.4Very high97.2Very high0 Ų030.3 Ų30.30%019%0.186CC..  trans-65.6137.8-173.8-59.5-175.1000111.4Q80 L107 L135 S140 T143 L144Q80-L114 CarbonylContact O-C 3.51Å; Q80-L114 VanDerWaalsContact O-CA 3.27Å; Q80-L114 WeakPolarHBondContact O-CA 3.49Å; L107-L114 HydrophobicContact CD1-CD1 4Å; L107-L114 HydrophobicContact CD1-CD2 4.34Å; L114-L135 HydrophobicContact CD1-CD1 4.49Å; L114-L135 HydrophobicContact CD1-CD2 4.28Å; L114-S140 PolarHBondContact N-O 3.48Å; L114-T143 CarbonylContact O-C 3.2Å; L114-T143 WeakPolarHBondContact O-CB 3.17Å; L114-T143 PolarHBondContact O-OG1 3.08Å; L114-L144 HydrophobicContact CB-CD1 4.01Å; L114-L144 VanDerWaalsContact O-CA 3.3Å; L114-L144 WeakPolarHBondContact O-CA 3.3Å; L114-L144 PolarHBondContact O-N 3.38Å
115T98.5Very high96.5Very high36 Ų3630.6 Ų30.622%0.22119%0.19CC..SBendtrans-108.3-29.9166.857.70000110.7Q80 R145 E146Q80-T115 HydrophobicContact CB-CG2 4.48Å; Q80-T115 PolarHBondContact O-N 2.92Å; Q80-T115 PolarHBondContact O-OG1 2.66Å; T115-R145 WeakPolarHBondContact O-CA 3.39Å; T115-R145 PolarHBondContact O-N 2.81Å; T115-E146 PolarHBondContact O-N 3.18Å
116E98.8Very high95.6Very high39 Ų3932.4 Ų32.418%0.18220%0.197CC..EExtended strand (participates in β ladder)trans-139.5132-178.4-57168.1-142.800111Q80 R81 C82 Y83 E146Q80-E116 PolarHBondContact O-N 3.1Å; R81-E116 WeakPolarHBondContact CA-O 3.27Å; R81-E116 HydrophobicContact CB-CB 4.22Å; R81-E116 VanDerWaalsContact CD-CD 3.45Å; R81-E116 WeakPolarHBondContact CD-OE1 3.21Å; R81-E116 HydrophobicContact CG-CB 3.93Å; R81-E116 HydrophobicContact CG-CG 4.05Å; C82-E116 PolarHBondContact N-O 3.29Å; Y83-E116 WeakPolarHBondContact CE1-OE2 3.42Å; Y83-E116 PolarHBondContact OH-OE2 2.84Å; E116-E146 WeakPolarHBondContact CA-O 3.44Å; E116-E146 HydrophobicContact CB-CB 4.34Å; E116-E146 HydrophobicContact CG-CB 4.02Å; E116-E146 HydrophobicContact CG-CG 4.03Å
117L98.8Very high94.9Very high1 Ų135.8 Ų35.81%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-131.9113.7171.9178.460.6000109C82 W84 L119 L135 L144 E146 L147 R148C82-L117 HydrophobicContact CB-CD1 3.77Å; W84-L117 HydrophobicContact CE3-CD1 4.04Å; W84-L117 HydrophobicContact CZ3-CD1 4.35Å; L117-L119 HydrophobicContact CD1-CD1 3.93Å; L117-L119 HydrophobicContact CD1-CG 3.99Å; L117-L119 HydrophobicContact CD2-CD1 3.82Å; L117-L119 HydrophobicContact CG-CD1 3.83Å; L117-L119 HydrophobicContact CG-CG 4.16Å; L117-L135 HydrophobicContact CD2-CD2 4.24Å; L117-L144 HydrophobicContact CB-CD1 4.08Å; L117-E146 PolarHBondContact N-O 2.82Å; L117-L147 HydrophobicContact CB-CD1 4.11Å; L117-L147 HydrophobicContact CD2-CD1 4.03Å; L117-L147 HydrophobicContact CG-CD1 4.18Å; L117-R148 PolarHBondContact O-N 2.95Å
118D98.8Very high94.1Very high26 Ų2635.8 Ų35.814%0.13922%0.215CC..EExtended strand (participates in β ladder)trans-111.8119173.2-169.6-1.4000110.4C82 Y83 W84 S85 S120 R148C82-D118 PolarHBondContact O-N 3.18Å; Y83-D118 HydrophobicContact CD1-CB 4.43Å; W84-D118 CarbonylContact C-O 3.44Å; W84-D118 VanDerWaalsContact CA-O 3.24Å; W84-D118 WeakPolarHBondContact CA-O 3.17Å; W84-D118 WeakPolarHBondContact CB-O 3.33Å; W84-D118 PolarHBondContact N-O 2.92Å; S85-D118 PolarHBondContact N-O 3.04Å; D118-S120 WeakPolarHBondContact OD1-CB 3.43Å; D118-S120 PolarHBondContact OD1-N 3.36Å; D118-S120 PolarHBondContact OD1-OG 2.91Å; D118-R148 HydrophobicContact CB-CB 4.08Å; D118-R148 WeakPolarHBondContact OD1-CB 3.39Å
119L98.3Very high93.9Very high0 Ų032.5 Ų32.50%020%0.199CC..  trans-126.817-179.9-77.5165.6000111.2W84 L100 L117 N122 F124 I132 R148 L149 C152W84-L119 HydrophobicContact CB-CD2 3.84Å; W84-L119 HydrophobicContact CE3-CD2 4.16Å; L100-L119 HydrophobicContact CD2-CD2 3.64Å; L117-L119 HydrophobicContact CD1-CD1 3.93Å; L117-L119 HydrophobicContact CD1-CG 3.99Å; L117-L119 HydrophobicContact CD2-CD1 3.82Å; L117-L119 HydrophobicContact CG-CD1 3.83Å; L117-L119 HydrophobicContact CG-CG 4.16Å; L119-N122 PolarHBondContact O-ND2 2.8Å; L119-F124 HydrophobicContact CB-CZ 3.88Å; L119-F124 HydrophobicContact CD1-CZ 4.1Å; L119-F124 HydrophobicContact CD2-CZ 4.3Å; L119-F124 HydrophobicContact CG-CZ 4.33Å; L119-I132 HydrophobicContact CD1-CD1 3.78Å; L119-I132 HydrophobicContact CD1-CG2 3.79Å; L119-R148 PolarHBondContact N-O 3.16Å; L119-L149 HydrophobicContact CB-CD2 3.71Å; L119-L149 HydrophobicContact CD1-CD2 4.19Å; L119-C152 PolarHBondContact O-SG 3.01Å
120S98.6Very high93.6Very high9 Ų932.9 Ų32.96%0.06319%0.189CC..THydrogen-bonded Turntrans-58.3155.4-178.6-53.40000112.3S85 D86 D118 N122 N150S85-S120 CarbonylContact C-O 3.49Å; S85-S120 WeakPolarHBondContact CA-O 3.47Å; S85-S120 WeakPolarHBondContact CB-O 3.26Å; D86-S120 PolarHBondContact N-O 3.49Å; D118-S120 WeakPolarHBondContact OD1-CB 3.43Å; D118-S120 PolarHBondContact OD1-N 3.36Å; D118-S120 PolarHBondContact OD1-OG 2.91Å; S120-N122 PolarHBondContact O-N 2.93Å; S120-N122 VanDerWaalsContact O-N 3.15Å; S120-N122 PolarHBondContact O-ND2 3.06Å; S120-N150 CarbonylContact C-O 3.34Å; S120-N150 WeakPolarHBondContact CA-O 3.39Å; S120-N150 WeakPolarHBondContact CB-O 3.46Å; S120-N150 PolarHBondContact OG-N 2.91Å
121D97.6Very high93.5Very high68 Ų6832.4 Ų32.436%0.36419%0.185SC..THydrogen-bonded Turntrans60.127.5175.2-55.9-64.4000114D86 N150 N151D86-D121 HydrophobicContact CB-CB 4.09Å; D121-N150 PolarHBondContact N-O 3.35Å; D121-N151 WeakPolarHBondContact OD1-CB 3.33Å; D121-N151 PolarHBondContact OD1-ND2 3.04Å
122N96.4Very high93.5Very high1 Ų130.2 Ų30.21%0.00516%0.163CC..  trans-110.6123.7170.3-68.7-62.8000110.1W84 M87 F88 L119 S120 F124 C152W84-N122 PolarHBondContact O-ND2 3.17Å; M87-N122 PolarHBondContact N-OD1 3.2Å; F88-N122 HydrophobicContact CD2-CB 4.1Å; F88-N122 VanDerWaalsContact CD2-OD1 3.27Å; F88-N122 WeakPolarHBondContact CD2-OD1 3.1Å; F88-N122 PolarHBondContact N-OD1 3.36Å; L119-N122 PolarHBondContact O-ND2 2.8Å; S120-N122 PolarHBondContact O-N 2.93Å; S120-N122 VanDerWaalsContact O-N 3.15Å; S120-N122 PolarHBondContact O-ND2 3.06Å; N122-F124 HydrophobicContact CB-CD1 3.8Å; N122-F124 HydrophobicContact CB-CE1 3.57Å; N122-F124 WeakPolarHBondContact O-CD1 3.33Å; N122-F124 PolarHBondContact O-N 3.44Å; N122-C152 WeakPolarHBondContact O-CA 3.4Å; N122-C152 WeakPolarHBondContact O-CB 3.19Å
123A92.7Very high93.5Very high67 Ų6732.1 Ų32.155%0.55417%0.172SC*.  trans-71.665.7-175.900000114I96 G125I96-A123 HydrophobicContact CD1-CB 4.49Å; I96-A123 VanDerWaalsContact CD1-O 3.31Å; I96-A123 WeakPolarHBondContact CD1-O 3.43Å; A123-G125 VanDerWaalsContact C-N 3.28Å; A123-G125 PolarHBondContact O-N 3.24Å
124F85.8Confident93.6Very high1 Ų131.2 Ų31.20%0.00417%0.173CC..  trans-54.5-46.3178.7-77.515.5000111.4R93 I96 L100 L119 N122 G128 V129 I132 L149 C152 M154R93-F124 PolarHBondContact NE-O 3.28Å; I96-F124 HydrophobicContact CG2-CD1 3.88Å; I96-F124 HydrophobicContact CG2-CE1 4.11Å; L100-F124 HydrophobicContact CD1-CD1 4.39Å; L100-F124 HydrophobicContact CD1-CE1 3.59Å; L100-F124 HydrophobicContact CD1-CZ 3.67Å; L119-F124 HydrophobicContact CB-CZ 3.88Å; L119-F124 HydrophobicContact CD1-CZ 4.1Å; L119-F124 HydrophobicContact CD2-CZ 4.3Å; L119-F124 HydrophobicContact CG-CZ 4.33Å; N122-F124 HydrophobicContact CB-CD1 3.8Å; N122-F124 HydrophobicContact CB-CE1 3.57Å; N122-F124 WeakPolarHBondContact O-CD1 3.33Å; N122-F124 PolarHBondContact O-N 3.44Å; F124-G128 PolarHBondContact O-N 3.04Å; F124-V129 HydrophobicContact CD2-CG2 4.18Å; F124-I132 HydrophobicContact CE2-CD1 4.38Å; F124-L149 HydrophobicContact CE2-CD2 3.59Å; F124-L149 HydrophobicContact CZ-CD2 4.05Å; F124-C152 HydrophobicContact CB-CB 4.15Å; F124-C152 WeakPolarHBondContact CB-O 3.22Å; F124-C152 HydrophobicContact CD1-CB 4.45Å; F124-C152 HydrophobicContact CD2-CB 4.01Å; F124-C152 HydrophobicContact CG-CB 3.96Å; F124-C152 PolarHBondContact N-O 2.97Å; F124-M154 HydrophobicContact CD2-CG 4.42Å
125G84.7Confident93.6Very high9 Ų931.2 Ų31.29%0.09317%0.174CC..Hα-helixtrans56.2-169.1-15900000112.6R93 A123 D127 G128 C152 G153R93-G125 VanDerWaalsContact NE-CA 3.33Å; A123-G125 VanDerWaalsContact C-N 3.28Å; A123-G125 PolarHBondContact O-N 3.24Å; G125-D127 VanDerWaalsContact C-N 3.29Å; G125-D127 PolarHBondContact O-N 3.2Å; G125-D127 VanDerWaalsContact O-N 3.12Å; G125-G128 PolarHBondContact O-N 3.37Å; G125-C152 PolarHBondContact N-O 3.41Å; G125-C152 VanDerWaalsContact N-O 3.14Å; G125-G153 CarbonylContact C-O 3.41Å; G125-G153 VanDerWaalsContact C-O 3.28Å; G125-G153 WeakPolarHBondContact CA-O 3.33Å
126P79.1Confident93.5Very high64 Ų6429.6 Ų29.642%0.41616%0.163SC..Hα-helixtrans-51-38.6-176.4-32.734.8000116.8R93 M154R93-P126 VanDerWaalsContact NH2-CD 3.29Å; P126-M154 WeakPolarHBondContact CA-O 3.26Å
127D82.3Confident93.5Very high72 Ų7228.6 Ų28.639%0.38516%0.159SC..Hα-helixtrans-92-10.6-175.4-59.6-72.5000114.8R93 G125 V129 K130R93-D127 IonicContact NH2-OD2 3.9Å; R93-D127 PolarHBondContact NH2-OD2 3.31Å; G125-D127 VanDerWaalsContact C-N 3.29Å; G125-D127 PolarHBondContact O-N 3.2Å; G125-D127 VanDerWaalsContact O-N 3.12Å; D127-V129 VanDerWaalsContact C-N 3.26Å; D127-V129 PolarHBondContact O-N 2.88Å; D127-K130 HydrophobicContact CB-CD 4.34Å; D127-K130 VanDerWaalsContact O-CB 3.27Å; D127-K130 WeakPolarHBondContact O-CB 3.17Å; D127-K130 PolarHBondContact O-N 3.01Å; D127-K130 VanDerWaalsContact O-N 3.08Å; D127-K130 IonicContact OD1-NZ 3.67Å; D127-K130 PolarHBondContact OD1-NZ 3.45Å
128G83.3Confident93.5Very high0 Ų029.1 Ų29.10%016%0.162CC..Hα-helixtrans-65.9-28.1-172.200000113.9F124 G125 K130 G131F124-G128 PolarHBondContact O-N 3.04Å; G125-G128 PolarHBondContact O-N 3.37Å; G128-K130 PolarHBondContact O-N 2.77Å; G128-G131 PolarHBondContact O-N 2.8Å
129V92.8Very high93.4Very high0 Ų032.3 Ų32.30%018%0.184CC..THydrogen-bonded Turntrans-60.6-28.8175-175.60000112.1F124 D127 G131 I132 E133 M154 I161 L162F124-V129 HydrophobicContact CD2-CG2 4.18Å; D127-V129 VanDerWaalsContact C-N 3.26Å; D127-V129 PolarHBondContact O-N 2.88Å; V129-G131 PolarHBondContact O-N 3.14Å; V129-G131 VanDerWaalsContact O-N 3.13Å; V129-I132 VanDerWaalsContact O-CG1 3.3Å; V129-I132 WeakPolarHBondContact O-CG1 3.33Å; V129-I132 PolarHBondContact O-N 3.22Å; V129-E133 PolarHBondContact O-N 3.13Å; V129-E133 VanDerWaalsContact O-N 3.07Å; V129-M154 HydrophobicContact CG2-CB 4.21Å; V129-M154 HydrophobicContact CG2-CG 3.71Å; V129-M154 HydrophobicContact CG2-SD 3.54Å; V129-M154 VanDerWaalsContact CG2-SD 3.54Å; V129-I161 HydrophobicContact CB-CG2 4.42Å; V129-I161 HydrophobicContact CG1-CB 4.23Å; V129-I161 HydrophobicContact CG1-CG2 3.82Å; V129-L162 HydrophobicContact CG1-CB 4.11Å
130K93Very high93.4Very high100 Ų10032.6 Ų32.644%0.43519%0.186SC..Hα-helixtrans-59.1-26.4174.9-63.91741771630112.2D127 G128 I132 I161D127-K130 HydrophobicContact CB-CD 4.34Å; D127-K130 VanDerWaalsContact O-CB 3.27Å; D127-K130 WeakPolarHBondContact O-CB 3.17Å; D127-K130 PolarHBondContact O-N 3.01Å; D127-K130 VanDerWaalsContact O-N 3.08Å; D127-K130 IonicContact OD1-NZ 3.67Å; D127-K130 PolarHBondContact OD1-NZ 3.45Å; G128-K130 PolarHBondContact O-N 2.77Å; K130-I132 PolarHBondContact O-N 2.98Å; K130-I161 HydrophobicContact CG-CD1 4.2Å
131G95.1Very high93.4Very high3 Ų332.2 Ų32.23%0.03118%0.183CC..Hα-helixtrans-63.5-23.3176.900000114.4L100 M101 S104 G128 V129L100-G131 CarbonylContact C-O 3.36Å; M101-G131 PolarHBondContact N-O 3.01Å; S104-G131 PolarHBondContact OG-O 2.73Å; G128-G131 PolarHBondContact O-N 2.8Å; V129-G131 PolarHBondContact O-N 3.14Å; V129-G131 VanDerWaalsContact O-N 3.13Å
132I96.8Very high93.4Very high0 Ų029.9 Ų29.90%017%0.17CC..Hα-helixtrans-122.3-1.3-17862.2169.6000113.2L100 L119 F124 V129 K130 Q134 L135 L136 L149L100-I132 HydrophobicContact CB-CG2 4.21Å; L100-I132 HydrophobicContact CD1-CG2 4.18Å; L100-I132 HydrophobicContact CD2-CG2 4.36Å; L100-I132 HydrophobicContact CG-CG2 4.5Å; L119-I132 HydrophobicContact CD1-CD1 3.78Å; L119-I132 HydrophobicContact CD1-CG2 3.79Å; F124-I132 HydrophobicContact CE2-CD1 4.38Å; V129-I132 VanDerWaalsContact O-CG1 3.3Å; V129-I132 WeakPolarHBondContact O-CG1 3.33Å; V129-I132 PolarHBondContact O-N 3.22Å; K130-I132 PolarHBondContact O-N 2.98Å; I132-Q134 PolarHBondContact O-N 2.97Å; I132-L135 WeakPolarHBondContact O-CB 3.4Å; I132-L135 PolarHBondContact O-N 3.23Å; I132-L135 VanDerWaalsContact O-N 3.14Å; I132-L136 HydrophobicContact CD1-CD1 3.99Å; I132-L136 HydrophobicContact CG1-CD1 4.16Å; I132-L136 WeakPolarHBondContact O-CG 3.46Å; I132-L136 PolarHBondContact O-N 3.28Å; I132-L149 HydrophobicContact CD1-CD2 4.13Å
133E97.1Very high93.4Very high40 Ų4030.7 Ų30.719%0.18718%0.176CC..Hα-helixtrans-57.2-47.8-174.6-172.5-166.215600112V129 L135 L136 K137 I161 A165V129-E133 PolarHBondContact O-N 3.13Å; V129-E133 VanDerWaalsContact O-N 3.07Å; E133-L135 VanDerWaalsContact C-N 3.34Å; E133-L135 PolarHBondContact O-N 3.17Å; E133-L136 PolarHBondContact O-N 3.2Å; E133-K137 HydrophobicContact CG-CD 4.2Å; E133-K137 WeakPolarHBondContact O-CG 3.25Å; E133-K137 PolarHBondContact O-N 2.86Å; E133-K137 VanDerWaalsContact O-N 3.11Å; E133-K137 WeakPolarHBondContact OE1-CE 3.45Å; E133-K137 IonicContact OE1-NZ 3.5Å; E133-K137 PolarHBondContact OE1-NZ 2.76Å; E133-I161 HydrophobicContact CB-CG2 4.34Å; E133-I161 HydrophobicContact CG-CG2 3.89Å; E133-A165 HydrophobicContact CG-CB 4.29Å
134Q98Very high93.7Very high119 Ų11927.6 Ų27.656%0.55615%0.149SC*.Hα-helixtrans-66.8-36179-65.8-58.1-44.700112.3M108 I132 K137 S138M108-Q134 HydrophobicContact CE-CB 4.37Å; I132-Q134 PolarHBondContact O-N 2.97Å; Q134-K137 PolarHBondContact O-N 3.29Å; Q134-S138 WeakPolarHBondContact O-CB 3.25Å; Q134-S138 PolarHBondContact O-N 3.29Å
135L98.4Very high94.3Very high1 Ų131.5 Ų31.51%0.00516%0.164CC..Hα-helixtrans-60.9-49.5174.6175.964.1000110.6L107 M108 L114 L117 I132 E133 K137 S138 C141L107-L135 HydrophobicContact CB-CD1 4.01Å; L107-L135 HydrophobicContact CD1-CD1 4.17Å; L107-L135 HydrophobicContact CD1-CD2 3.91Å; M108-L135 HydrophobicContact CG-CD1 4Å; L114-L135 HydrophobicContact CD1-CD1 4.49Å; L114-L135 HydrophobicContact CD1-CD2 4.28Å; L117-L135 HydrophobicContact CD2-CD2 4.24Å; I132-L135 WeakPolarHBondContact O-CB 3.4Å; I132-L135 PolarHBondContact O-N 3.23Å; I132-L135 VanDerWaalsContact O-N 3.14Å; E133-L135 VanDerWaalsContact C-N 3.34Å; E133-L135 PolarHBondContact O-N 3.17Å; L135-K137 PolarHBondContact O-N 3.23Å; L135-S138 WeakPolarHBondContact O-CB 3.09Å; L135-S138 PolarHBondContact O-N 2.97Å; L135-S138 PolarHBondContact O-OG 3.23Å; L135-C141 PolarHBondContact O-SG 3.06Å; L135-C141 VanDerWaalsContact O-SG 3.41Å
136L98.1Very high95Very high1 Ų133.4 Ų33.41%0.00517%0.171CC..Hα-helixtrans-60.2-36.2179.7-69.5175.7000111.8I132 E133 S138 L144 L147 L162 A165 C169I132-L136 HydrophobicContact CD1-CD1 3.99Å; I132-L136 HydrophobicContact CG1-CD1 4.16Å; I132-L136 WeakPolarHBondContact O-CG 3.46Å; I132-L136 PolarHBondContact O-N 3.28Å; E133-L136 PolarHBondContact O-N 3.2Å; L136-S138 VanDerWaalsContact C-N 3.27Å; L136-S138 PolarHBondContact O-N 2.9Å; L136-L144 HydrophobicContact CD2-CD2 4.21Å; L136-L147 HydrophobicContact CD2-CD1 4.48Å; L136-L147 HydrophobicContact CD2-CD2 4.3Å; L136-L162 HydrophobicContact CD1-CD1 3.58Å; L136-A165 HydrophobicContact CB-CB 3.97Å; L136-A165 HydrophobicContact CD1-CB 4.24Å; L136-C169 WeakPolarHBondContact O-CB 3.09Å; L136-C169 PolarHBondContact O-SG 3.3Å
137K97.8Very high95.9Very high19 Ų1930.3 Ų30.38%0.08315%0.151CC..THydrogen-bonded Turntrans-78.1-4.4177.3-68.1173.1174.6-170.20114.4E133 Q134 L135 A165 E168E133-K137 HydrophobicContact CG-CD 4.2Å; E133-K137 WeakPolarHBondContact O-CG 3.25Å; E133-K137 PolarHBondContact O-N 2.86Å; E133-K137 VanDerWaalsContact O-N 3.11Å; E133-K137 WeakPolarHBondContact OE1-CE 3.45Å; E133-K137 IonicContact OE1-NZ 3.5Å; E133-K137 PolarHBondContact OE1-NZ 2.76Å; Q134-K137 PolarHBondContact O-N 3.29Å; L135-K137 PolarHBondContact O-N 3.23Å; K137-A165 HydrophobicContact CG-CB 4.02Å; K137-E168 WeakPolarHBondContact CD-OE2 3.45Å; K137-E168 WeakPolarHBondContact CE-OE2 3.32Å; K137-E168 HydrophobicContact CG-CB 4.3Å; K137-E168 HydrophobicContact CG-CG 4.44Å; K137-E168 IonicContact NZ-OE2 3.91Å; K137-E168 PolarHBondContact NZ-OE2 2.93Å; K137-E168 VanDerWaalsContact NZ-OE2 3.12Å
138S97.8Very high96.7Very high11 Ų1130.8 Ų30.88%0.07715%0.147CC..SBendtrans-95.7163.4-172.980.90000113.3Q134 L135 L136 S140 C141 H142Q134-S138 WeakPolarHBondContact O-CB 3.25Å; Q134-S138 PolarHBondContact O-N 3.29Å; L135-S138 WeakPolarHBondContact O-CB 3.09Å; L135-S138 PolarHBondContact O-N 2.97Å; L135-S138 PolarHBondContact O-OG 3.23Å; L136-S138 VanDerWaalsContact C-N 3.27Å; L136-S138 PolarHBondContact O-N 2.9Å; S138-S140 PolarHBondContact O-N 3.35Å; S138-S140 VanDerWaalsContact O-N 3.08Å; S138-S140 WeakPolarHBondContact OG-CB 3.46Å; S138-S140 PolarHBondContact OG-N 2.98Å; S138-C141 PolarHBondContact O-N 2.78Å; S138-C141 VanDerWaalsContact O-N 3.08Å; S138-H142 PolarHBondContact O-CD2 3.02Å; S138-H142 VanDerWaalsContact O-CD2 3.29Å
139P97.8Very high97.4Very high94 Ų9430.8 Ų30.861%0.6115%0.147SC*.G310 helixtrans-54.1-25.6171.7-27.937.3000114.6C141 H142P139-C141 PolarHBondContact O-N 3.32Å; P139-H142 WeakPolarHBondContact O-CB 3.44Å; P139-H142 PolarHBondContact O-N 2.8Å; P139-H142 VanDerWaalsContact O-N 3.16Å
140S97.8Very high97.7Very high5 Ų532.7 Ų32.74%0.03516%0.157CC..G310 helixtrans-63.7-23.2179.2-63.20000113.5L107 A112 L114 S138L107-S140 PolarHBondContact O-OG 2.71Å; A112-S140 WeakPolarHBondContact O-CA 3.08Å; A112-S140 WeakPolarHBondContact O-CB 3.08Å; A112-S140 PolarHBondContact O-OG 3.15Å; L114-S140 PolarHBondContact N-O 3.48Å; S138-S140 PolarHBondContact O-N 3.35Å; S138-S140 VanDerWaalsContact O-N 3.08Å; S138-S140 WeakPolarHBondContact OG-CB 3.46Å; S138-S140 PolarHBondContact OG-N 2.98Å
141C98.2Very high97.9Very high1 Ų130.4 Ų30.41%0.00715%0.15CC..G310 helixtrans-102.31.6177.5-74.40000114L135 S138 P139 T143 L144 L180L135-C141 PolarHBondContact O-SG 3.06Å; L135-C141 VanDerWaalsContact O-SG 3.41Å; S138-C141 PolarHBondContact O-N 2.78Å; S138-C141 VanDerWaalsContact O-N 3.08Å; P139-C141 PolarHBondContact O-N 3.32Å; C141-T143 PolarHBondContact O-N 3.4Å; C141-T143 VanDerWaalsContact O-N 3.13Å; C141-L144 HydrophobicContact CB-CB 4.38Å; C141-L144 WeakPolarHBondContact O-CB 3.44Å; C141-L144 PolarHBondContact O-N 3.22Å; C141-L180 WeakPolarHBondContact O-CD1 3.32Å
142H97.6Very high98Very high19 Ų1930.3 Ų30.39%0.08815%0.149CC..THydrogen-bonded Turntrans-61-26.1179.4-70.8-171.1000113.1S138 P139 S173S138-H142 PolarHBondContact O-CD2 3.02Å; S138-H142 VanDerWaalsContact O-CD2 3.29Å; P139-H142 WeakPolarHBondContact O-CB 3.44Å; P139-H142 PolarHBondContact O-N 2.8Å; P139-H142 VanDerWaalsContact O-N 3.16Å; H142-S173 VanDerWaalsContact CG-CB 3.47Å
143T97.6Very high97.9Very high19 Ų1932 Ų3212%0.11717%0.166CC..THydrogen-bonded Turntrans-952.4178.147.10000114R113 L114 C141 R145R113-T143 PolarHBondContact O-OG1 3.04Å; L114-T143 CarbonylContact O-C 3.2Å; L114-T143 WeakPolarHBondContact O-CB 3.17Å; L114-T143 PolarHBondContact O-OG1 3.08Å; C141-T143 PolarHBondContact O-N 3.4Å; C141-T143 VanDerWaalsContact O-N 3.13Å; T143-R145 PolarHBondContact O-N 3.06Å
144L98.6Very high97.8Very high1 Ų130 Ų301%0.00516%0.157CC..  trans-62.1129.8-172.8-167.670.8000110.3L114 L117 L136 C141 E146 L147 L180 L182L114-L144 HydrophobicContact CB-CD1 4.01Å; L114-L144 VanDerWaalsContact O-CA 3.3Å; L114-L144 WeakPolarHBondContact O-CA 3.3Å; L114-L144 PolarHBondContact O-N 3.38Å; L117-L144 HydrophobicContact CB-CD1 4.08Å; L136-L144 HydrophobicContact CD2-CD2 4.21Å; C141-L144 HydrophobicContact CB-CB 4.38Å; C141-L144 WeakPolarHBondContact O-CB 3.44Å; C141-L144 PolarHBondContact O-N 3.22Å; L144-E146 WeakPolarHBondContact CD1-O 3.05Å; L144-L147 HydrophobicContact CD2-CB 4.19Å; L144-L147 HydrophobicContact CD2-CD1 4.39Å; L144-L180 HydrophobicContact CB-CD1 3.92Å; L144-L180 WeakPolarHBondContact O-CD1 3.31Å; L144-L182 HydrophobicContact CD2-CD1 4.37Å; L144-L182 HydrophobicContact CG-CD1 4.22Å
145R98.7Very high97.8Very high84 Ų8425 Ų2532%0.31714%0.137SC..  trans-114.8-33.6179.9-60.6-53.2-175.3-145.5-3.4111.8T115 T143 R181 L182 K183 V184T115-R145 WeakPolarHBondContact O-CA 3.39Å; T115-R145 PolarHBondContact O-N 2.81Å; T143-R145 PolarHBondContact O-N 3.06Å; R145-R181 WeakPolarHBondContact CD-O 3.49Å; R145-R181 VanDerWaalsContact NH1-CB 3.27Å; R145-R181 PolarHBondContact NH1-O 2.78Å; R145-L182 WeakPolarHBondContact O-CD1 3.48Å; R145-K183 HydrophobicContact CB-CD 4.41Å; R145-K183 PolarHBondContact O-N 2.79Å; R145-V184 PolarHBondContact O-N 3.42Å
146E98.9Very high97.7Very high48 Ų4827.5 Ų27.522%0.22415%0.15CC..EExtended strand (participates in β ladder)trans-126.9129.5178.3-50-163.7-172.700111.4T115 E116 L117 L144 R148 V184T115-E146 PolarHBondContact O-N 3.18Å; E116-E146 WeakPolarHBondContact CA-O 3.44Å; E116-E146 HydrophobicContact CB-CB 4.34Å; E116-E146 HydrophobicContact CG-CB 4.02Å; E116-E146 HydrophobicContact CG-CG 4.03Å; L117-E146 PolarHBondContact N-O 2.82Å; L144-E146 WeakPolarHBondContact CD1-O 3.05Å; E146-R148 IonicContact OE2-CZ 3.78Å; E146-R148 IonicContact OE2-NE 2.7Å; E146-R148 PolarHBondContact OE2-NE 3.08Å; E146-R148 IonicContact OE2-NH2 3.37Å; E146-R148 PolarHBondContact OE2-NH2 3.04Å; E146-V184 WeakPolarHBondContact CA-O 3.22Å; E146-V184 HydrophobicContact CB-CB 4.17Å; E146-V184 HydrophobicContact CG-CB 3.87Å; E146-V184 HydrophobicContact CG-CG2 4.01Å
147L98.9Very high97.6Very high0 Ų029.3 Ų29.30%017%0.169CC..EExtended strand (participates in β ladder)trans-128.5118.3173.3-177.960.1000109.1L117 L136 L144 L149 L162 L166 L182 V184 F185 V186L117-L147 HydrophobicContact CB-CD1 4.11Å; L117-L147 HydrophobicContact CD2-CD1 4.03Å; L117-L147 HydrophobicContact CG-CD1 4.18Å; L136-L147 HydrophobicContact CD2-CD1 4.48Å; L136-L147 HydrophobicContact CD2-CD2 4.3Å; L144-L147 HydrophobicContact CD2-CB 4.19Å; L144-L147 HydrophobicContact CD2-CD1 4.39Å; L147-L149 HydrophobicContact CD1-CD1 4.1Å; L147-L149 HydrophobicContact CD1-CG 4.27Å; L147-L149 HydrophobicContact CD2-CD1 4.01Å; L147-L149 HydrophobicContact CG-CD1 3.95Å; L147-L149 HydrophobicContact CG-CG 4.36Å; L147-L162 HydrophobicContact CD2-CD1 3.95Å; L147-L166 HydrophobicContact CD2-CD2 4.16Å; L147-L182 HydrophobicContact CB-CD1 3.99Å; L147-L182 HydrophobicContact CB-CD2 4.31Å; L147-V184 PolarHBondContact N-O 3.25Å; L147-F185 HydrophobicContact CD2-CD2 4.49Å; L147-F185 HydrophobicContact CD2-CE2 4.28Å; L147-V186 PolarHBondContact O-N 2.89Å
148R98.9Very high97.5Very high82 Ų8228.4 Ų28.431%0.30917%0.165SC..EExtended strand (participates in β ladder)trans-121.4120.3-178.2-55.6174.4-179-95.7-3.4109.6L117 D118 L119 E146 V186L117-R148 PolarHBondContact O-N 2.95Å; D118-R148 HydrophobicContact CB-CB 4.08Å; D118-R148 WeakPolarHBondContact OD1-CB 3.39Å; L119-R148 PolarHBondContact N-O 3.16Å; E146-R148 IonicContact OE2-CZ 3.78Å; E146-R148 IonicContact OE2-NE 2.7Å; E146-R148 PolarHBondContact OE2-NE 3.08Å; E146-R148 IonicContact OE2-NH2 3.37Å; E146-R148 PolarHBondContact OE2-NH2 3.04Å; R148-V186 HydrophobicContact CB-CB 4.22Å; R148-V186 HydrophobicContact CG-CB 4.1Å; R148-V186 HydrophobicContact CG-CG2 3.97Å
149L98.1Very high97.5Very high0 Ų027.9 Ų27.90%016%0.161CC..  trans-138.737.9-176.1-71.7162.5000108.9L119 F124 I132 L147 C152 M154 L162 V186 N190L119-L149 HydrophobicContact CB-CD2 3.71Å; L119-L149 HydrophobicContact CD1-CD2 4.19Å; F124-L149 HydrophobicContact CE2-CD2 3.59Å; F124-L149 HydrophobicContact CZ-CD2 4.05Å; I132-L149 HydrophobicContact CD1-CD2 4.13Å; L147-L149 HydrophobicContact CD1-CD1 4.1Å; L147-L149 HydrophobicContact CD1-CG 4.27Å; L147-L149 HydrophobicContact CD2-CD1 4.01Å; L147-L149 HydrophobicContact CG-CD1 3.95Å; L147-L149 HydrophobicContact CG-CG 4.36Å; L149-C152 VanDerWaalsContact C-SG 3.52Å; L149-C152 PolarHBondContact O-SG 2.65Å; L149-M154 HydrophobicContact CB-CE 4.1Å; L149-M154 HydrophobicContact CB-SD 4.4Å; L149-M154 HydrophobicContact CD1-SD 4.29Å; L149-L162 HydrophobicContact CD1-CD1 3.93Å; L149-L162 HydrophobicContact CD1-CD2 3.6Å; L149-L162 HydrophobicContact CD1-CG 4.43Å; L149-V186 PolarHBondContact N-O 3.07Å; L149-N190 PolarHBondContact O-ND2 3.09Å
150N97.9Very high97.5Very high40 Ų4027.7 Ų27.721%0.21415%0.151CC..THydrogen-bonded Turntrans-69.5140.4-178.3-16454.1000110.1S120 D121 C152 V186 G188S120-N150 CarbonylContact C-O 3.34Å; S120-N150 WeakPolarHBondContact CA-O 3.39Å; S120-N150 WeakPolarHBondContact CB-O 3.46Å; S120-N150 PolarHBondContact OG-N 2.91Å; D121-N150 PolarHBondContact N-O 3.35Å; N150-C152 VanDerWaalsContact C-N 3.35Å; N150-C152 PolarHBondContact O-N 2.82Å; N150-V186 HydrophobicContact CB-CG1 3.9Å; N150-G188 VanDerWaalsContact OD1-C 3.27Å; N150-G188 WeakPolarHBondContact OD1-CA 3.32Å; N150-G188 PolarHBondContact OD1-N 3.25Å; N150-G188 PolarHBondContact OD1-O 2.74Å
151N97.6Very high97.5Very high51 Ų5129 Ų2927%0.27316%0.157SC..THydrogen-bonded Turntrans56.543.7173.5-171.337.6000113.9D121 G188 R189D121-N151 WeakPolarHBondContact OD1-CB 3.33Å; D121-N151 PolarHBondContact OD1-ND2 3.04Å; N151-G188 PolarHBondContact N-O 3.17Å; N151-R189 HydrophobicContact CB-CB 4.01Å
152C96.6Very high97.5Very high1 Ų129 Ų291%0.00716%0.157CC..  trans-98.7-11.3177.8-62.60000113.7L119 N122 F124 G125 L149 N150 M154 N190L119-C152 PolarHBondContact O-SG 3.01Å; N122-C152 WeakPolarHBondContact O-CA 3.4Å; N122-C152 WeakPolarHBondContact O-CB 3.19Å; F124-C152 HydrophobicContact CB-CB 4.15Å; F124-C152 WeakPolarHBondContact CB-O 3.22Å; F124-C152 HydrophobicContact CD1-CB 4.45Å; F124-C152 HydrophobicContact CD2-CB 4.01Å; F124-C152 HydrophobicContact CG-CB 3.96Å; F124-C152 PolarHBondContact N-O 2.97Å; G125-C152 PolarHBondContact N-O 3.41Å; G125-C152 VanDerWaalsContact N-O 3.14Å; L149-C152 VanDerWaalsContact C-SG 3.52Å; L149-C152 PolarHBondContact O-SG 2.65Å; N150-C152 VanDerWaalsContact C-N 3.35Å; N150-C152 PolarHBondContact O-N 2.82Å; C152-M154 VanDerWaalsContact C-N 3.33Å; C152-M154 HydrophobicContact CB-CG 3.95Å; C152-M154 PolarHBondContact O-N 3.29Å; C152-N190 WeakPolarHBondContact CA-OD1 3.18Å; C152-N190 WeakPolarHBondContact CB-OD1 2.99Å; C152-N190 PolarHBondContact N-OD1 2.78Å
153G95.5Very high97.6Very high35 Ų3528.2 Ų28.236%0.36115%0.153SC..  trans65.431.3-177.200000113.9G125 G155 N190G125-G153 CarbonylContact C-O 3.41Å; G125-G153 VanDerWaalsContact C-O 3.28Å; G125-G153 WeakPolarHBondContact CA-O 3.33Å; G153-G155 PolarHBondContact O-N 2.94Å; G153-G155 VanDerWaalsContact O-N 3.16Å; G153-N190 PolarHBondContact N-OD1 2.88Å
154M95.4Very high97.6Very high0 Ų032.8 Ų32.80%017%0.174CC..  trans-58.4-27.8-173.4-65.3-171.3-7600115F124 P126 V129 L149 C152 G158 L162 A187 N190 L192F124-M154 HydrophobicContact CD2-CG 4.42Å; P126-M154 WeakPolarHBondContact CA-O 3.26Å; V129-M154 HydrophobicContact CG2-CB 4.21Å; V129-M154 HydrophobicContact CG2-CG 3.71Å; V129-M154 HydrophobicContact CG2-SD 3.54Å; V129-M154 VanDerWaalsContact CG2-SD 3.54Å; L149-M154 HydrophobicContact CB-CE 4.1Å; L149-M154 HydrophobicContact CB-SD 4.4Å; L149-M154 HydrophobicContact CD1-SD 4.29Å; C152-M154 VanDerWaalsContact C-N 3.33Å; C152-M154 HydrophobicContact CB-CG 3.95Å; C152-M154 PolarHBondContact O-N 3.29Å; M154-G158 WeakPolarHBondContact O-CA 3.3Å; M154-G158 PolarHBondContact O-N 3.12Å; M154-G158 VanDerWaalsContact O-N 3.11Å; M154-L162 HydrophobicContact CE-CD2 4.16Å; M154-L162 HydrophobicContact SD-CD2 4.14Å; M154-A187 HydrophobicContact CE-CB 4.05Å; M154-N190 HydrophobicContact CB-CB 4.25Å; M154-N190 HydrophobicContact CE-CB 3.86Å; M154-N190 VanDerWaalsContact CE-ND2 3.26Å; M154-N190 WeakPolarHBondContact CE-ND2 3.32Å; M154-N190 PolarHBondContact N-O 2.88Å; M154-N190 PolarHBondContact N-OD1 3.23Å; M154-L192 HydrophobicContact CE-CD2 4.07Å
155G96.9Very high97.6Very high14 Ų1432.8 Ų32.814%0.14417%0.173CC..Hα-helixtrans63.2-177.6-172.200000113.4G153 G157 G158 G159 N190 R191G153-G155 PolarHBondContact O-N 2.94Å; G153-G155 VanDerWaalsContact O-N 3.16Å; G155-G157 VanDerWaalsContact C-N 3.34Å; G155-G157 PolarHBondContact O-N 2.85Å; G155-G158 PolarHBondContact O-N 3.39Å; G155-G159 PolarHBondContact O-N 3.39Å; G155-G159 VanDerWaalsContact O-N 3.08Å; G155-N190 WeakPolarHBondContact CA-O 3.44Å; G155-N190 PolarHBondContact N-O 3.25Å; G155-R191 CarbonylContact C-O 3.28Å; G155-R191 VanDerWaalsContact CA-O 3.26Å; G155-R191 WeakPolarHBondContact CA-O 3.35Å
156I97.2Very high97.6Very high53 Ų5328.9 Ų28.927%0.27216%0.159SC..Hα-helixtrans-56.4-47175.5-64160.9000111.6G159 K160 R191 L192 E193 D195I156-G159 PolarHBondContact O-N 2.93Å; I156-K160 HydrophobicContact CG2-CD 4.25Å; I156-K160 WeakPolarHBondContact O-CG 3.44Å; I156-K160 PolarHBondContact O-N 3.38Å; I156-R191 PolarHBondContact N-O 2.89Å; I156-L192 WeakPolarHBondContact CG1-O 3.46Å; I156-E193 HydrophobicContact CD1-CB 4.11Å; I156-E193 HydrophobicContact CD1-CG 4.48Å; I156-E193 WeakPolarHBondContact CD1-OE2 3.43Å; I156-E193 HydrophobicContact CG1-CB 3.85Å; I156-E193 HydrophobicContact CG1-CG 4.33Å; I156-D195 HydrophobicContact CG2-CB 3.47Å; I156-D195 VanDerWaalsContact CG2-CB 3.47Å
157G96.1Very high97.6Very high39 Ų3928.1 Ų28.140%0.40216%0.156SC..Hα-helixtrans-61.8-46.3-17700000112.8G155 G159 K160 I161G155-G157 VanDerWaalsContact C-N 3.34Å; G155-G157 PolarHBondContact O-N 2.85Å; G157-G159 VanDerWaalsContact C-N 3.33Å; G157-G159 PolarHBondContact O-N 3.06Å; G157-K160 PolarHBondContact O-N 2.83Å; G157-I161 WeakPolarHBondContact O-CG1 3.39Å; G157-I161 PolarHBondContact O-N 2.94Å
158G96.3Very high97.6Very high0 Ų030.9 Ų30.90%017%0.169CC..Hα-helixtrans-63.9-38.4175.500000112.3M154 G155 K160 I161 L162M154-G158 WeakPolarHBondContact O-CA 3.3Å; M154-G158 PolarHBondContact O-N 3.12Å; M154-G158 VanDerWaalsContact O-N 3.11Å; G155-G158 PolarHBondContact O-N 3.39Å; G158-K160 PolarHBondContact O-N 3.35Å; G158-I161 PolarHBondContact O-N 3.3Å; G158-L162 VanDerWaalsContact O-CB 3.29Å; G158-L162 WeakPolarHBondContact O-CB 3.34Å; G158-L162 PolarHBondContact O-N 3.24Å
159G97.6Very high97.5Very high0 Ų027 Ų270%015%0.154CC..Hα-helixtrans-59-43.2172.900000113.5G155 I156 G157 L162 A163G155-G159 PolarHBondContact O-N 3.39Å; G155-G159 VanDerWaalsContact O-N 3.08Å; I156-G159 PolarHBondContact O-N 2.93Å; G157-G159 VanDerWaalsContact C-N 3.33Å; G157-G159 PolarHBondContact O-N 3.06Å; G159-L162 PolarHBondContact O-N 2.74Å; G159-A163 WeakPolarHBondContact O-CB 3.38Å; G159-A163 PolarHBondContact O-N 3.11Å
160K98Very high97.6Very high90 Ų9028.4 Ų28.439%0.39116%0.161SC..Hα-helixtrans-64.7-46.4176.4-71.1-179.1-177.5178.40112I156 G157 G158 L162 A163 E164 D195 A199I156-K160 HydrophobicContact CG2-CD 4.25Å; I156-K160 WeakPolarHBondContact O-CG 3.44Å; I156-K160 PolarHBondContact O-N 3.38Å; G157-K160 PolarHBondContact O-N 2.83Å; G158-K160 PolarHBondContact O-N 3.35Å; K160-L162 VanDerWaalsContact C-N 3.34Å; K160-L162 PolarHBondContact O-N 3.48Å; K160-A163 PolarHBondContact O-N 3.07Å; K160-E164 PolarHBondContact O-N 3.33Å; K160-D195 WeakPolarHBondContact CE-OD2 3.1Å; K160-D195 IonicContact NZ-OD2 2.83Å; K160-D195 PolarHBondContact NZ-OD2 2.75Å; K160-A199 HydrophobicContact CG-CB 4.07Å
161I97.6Very high97.6Very high33 Ų3333 Ų3317%0.16918%0.179CC..Hα-helixtrans-60.9-45.1177.5-66.2166.6000110.5V129 K130 E133 G157 G158 E164 A165V129-I161 HydrophobicContact CB-CG2 4.42Å; V129-I161 HydrophobicContact CG1-CB 4.23Å; V129-I161 HydrophobicContact CG1-CG2 3.82Å; K130-I161 HydrophobicContact CG-CD1 4.2Å; E133-I161 HydrophobicContact CB-CG2 4.34Å; E133-I161 HydrophobicContact CG-CG2 3.89Å; G157-I161 WeakPolarHBondContact O-CG1 3.39Å; G157-I161 PolarHBondContact O-N 2.94Å; G158-I161 PolarHBondContact O-N 3.3Å; I161-E164 PolarHBondContact O-N 3.36Å; I161-A165 WeakPolarHBondContact O-CB 3.27Å; I161-A165 PolarHBondContact O-N 2.79Å
162L98.1Very high97.6Very high0 Ų034.9 Ų34.90%019%0.185CC..Hα-helixtrans-59.8-48.1177.9177.159.2000111.4V129 L136 L147 L149 M154 G158 G159 K160 E164 A165 L166 F185 L200V129-L162 HydrophobicContact CG1-CB 4.11Å; L136-L162 HydrophobicContact CD1-CD1 3.58Å; L147-L162 HydrophobicContact CD2-CD1 3.95Å; L149-L162 HydrophobicContact CD1-CD1 3.93Å; L149-L162 HydrophobicContact CD1-CD2 3.6Å; L149-L162 HydrophobicContact CD1-CG 4.43Å; M154-L162 HydrophobicContact CE-CD2 4.16Å; M154-L162 HydrophobicContact SD-CD2 4.14Å; G158-L162 VanDerWaalsContact O-CB 3.29Å; G158-L162 WeakPolarHBondContact O-CB 3.34Å; G158-L162 PolarHBondContact O-N 3.24Å; G159-L162 PolarHBondContact O-N 2.74Å; K160-L162 VanDerWaalsContact C-N 3.34Å; K160-L162 PolarHBondContact O-N 3.48Å; L162-E164 PolarHBondContact O-N 3.14Å; L162-A165 PolarHBondContact O-N 3.35Å; L162-L166 HydrophobicContact CD1-CD1 4.21Å; L162-L166 HydrophobicContact CD1-CG 4.28Å; L162-L166 HydrophobicContact CG-CD1 4.2Å; L162-L166 WeakPolarHBondContact O-CG 3.46Å; L162-L166 PolarHBondContact O-N 3.16Å; L162-F185 HydrophobicContact CD2-CE2 4Å; L162-F185 HydrophobicContact CD2-CZ 3.92Å; L162-L200 HydrophobicContact CD2-CD2 4.15Å; L162-L200 HydrophobicContact CG-CD2 4.16Å
163A98.6Very high97.6Very high2 Ų234.9 Ų34.92%0.01719%0.185CC..Hα-helixtrans-59.6-46.417800000112.1G159 K160 A165 L166 I167 A199 L200G159-A163 WeakPolarHBondContact O-CB 3.38Å; G159-A163 PolarHBondContact O-N 3.11Å; K160-A163 PolarHBondContact O-N 3.07Å; A163-A165 PolarHBondContact O-N 3.46Å; A163-L166 PolarHBondContact O-N 3.08Å; A163-I167 VanDerWaalsContact O-CG1 3.24Å; A163-I167 WeakPolarHBondContact O-CG1 3.32Å; A163-I167 PolarHBondContact O-N 3.11Å; A163-A199 HydrophobicContact CB-CB 3.68Å; A163-A199 WeakPolarHBondContact CB-O 3.2Å; A163-L200 HydrophobicContact CB-CD2 4.05Å; A163-L200 HydrophobicContact CB-CG 4.3Å
164E98.4Very high97.7Very high116 Ų11636.5 Ų36.554%0.54219%0.188SC..Hα-helixtrans-61.4-44177.8-175.2175.5-177.300111.8K160 I161 L162 L166 I167 E168K160-E164 PolarHBondContact O-N 3.33Å; I161-E164 PolarHBondContact O-N 3.36Å; L162-E164 PolarHBondContact O-N 3.14Å; E164-L166 PolarHBondContact O-N 3.26Å; E164-I167 PolarHBondContact O-N 3.12Å; E164-E168 WeakPolarHBondContact O-CB 3.48Å; E164-E168 PolarHBondContact O-N 2.75Å
165A98.5Very high97.8Very high0 Ų040.7 Ų40.70%022%0.223CC..Hα-helixtrans-61.1-42.1176.800000112.4E133 L136 K137 I161 L162 A163 E168 C169E133-A165 HydrophobicContact CG-CB 4.29Å; L136-A165 HydrophobicContact CB-CB 3.97Å; L136-A165 HydrophobicContact CD1-CB 4.24Å; K137-A165 HydrophobicContact CG-CB 4.02Å; I161-A165 WeakPolarHBondContact O-CB 3.27Å; I161-A165 PolarHBondContact O-N 2.79Å; L162-A165 PolarHBondContact O-N 3.35Å; A163-A165 PolarHBondContact O-N 3.46Å; A165-E168 PolarHBondContact O-N 3.41Å; A165-C169 VanDerWaalsContact O-CB 3.26Å; A165-C169 WeakPolarHBondContact O-CB 3.31Å; A165-C169 PolarHBondContact O-N 3.1Å
166L98.6Very high97.7Very high2 Ų244.8 Ų44.81%0.0125%0.245CC..Hα-helixtrans-65.9-41.8176.3-69.2173.5000112.2L147 L162 A163 E164 C169 H170 L180 F185 L200 A203L147-L166 HydrophobicContact CD2-CD2 4.16Å; L162-L166 HydrophobicContact CD1-CD1 4.21Å; L162-L166 HydrophobicContact CD1-CG 4.28Å; L162-L166 HydrophobicContact CG-CD1 4.2Å; L162-L166 WeakPolarHBondContact O-CG 3.46Å; L162-L166 PolarHBondContact O-N 3.16Å; A163-L166 PolarHBondContact O-N 3.08Å; E164-L166 PolarHBondContact O-N 3.26Å; L166-C169 PolarHBondContact O-N 3.25Å; L166-H170 WeakPolarHBondContact O-CB 3.1Å; L166-H170 PolarHBondContact O-N 3.35Å; L166-L180 HydrophobicContact CD2-CD2 4.16Å; L166-F185 HydrophobicContact CD1-CE2 4.3Å; L166-L200 HydrophobicContact CD1-CD2 4.41Å; L166-A203 HydrophobicContact CB-CB 4.25Å
167I98.7Very high97.6Very high32 Ų3245.9 Ų45.916%0.16427%0.269CS..Hα-helixtrans-62.4-46.5176.5-70.1168.6000110.5A163 E164 H170 K171 K202 A203 L206A163-I167 VanDerWaalsContact O-CG1 3.24Å; A163-I167 WeakPolarHBondContact O-CG1 3.32Å; A163-I167 PolarHBondContact O-N 3.11Å; E164-I167 PolarHBondContact O-N 3.12Å; I167-H170 PolarHBondContact O-N 2.89Å; I167-K171 HydrophobicContact CG2-CD 4.21Å; I167-K171 WeakPolarHBondContact O-CG 3.32Å; I167-K171 PolarHBondContact O-N 3.35Å; I167-K202 HydrophobicContact CD1-CB 4.23Å; I167-A203 HydrophobicContact CD1-CB 4.24Å; I167-A203 HydrophobicContact CG1-CB 3.74Å; I167-L206 HydrophobicContact CD1-CD1 4.4Å; I167-L206 HydrophobicContact CG1-CD1 3.98Å; I167-L206 HydrophobicContact CG2-CD1 3.96Å
168E98.5Very high97.4Very high58 Ų5846 Ų4627%0.27126%0.264SS..Hα-helixtrans-64.7-43179.1-170.9179.9159.800111.4K137 E164 A165 K171 K172K137-E168 WeakPolarHBondContact CD-OE2 3.45Å; K137-E168 WeakPolarHBondContact CE-OE2 3.32Å; K137-E168 HydrophobicContact CG-CB 4.3Å; K137-E168 HydrophobicContact CG-CG 4.44Å; K137-E168 IonicContact NZ-OE2 3.91Å; K137-E168 PolarHBondContact NZ-OE2 2.93Å; K137-E168 VanDerWaalsContact NZ-OE2 3.12Å; E164-E168 WeakPolarHBondContact O-CB 3.48Å; E164-E168 PolarHBondContact O-N 2.75Å; A165-E168 PolarHBondContact O-N 3.41Å; E168-K171 PolarHBondContact O-N 3.17Å; E168-K172 HydrophobicContact CG-CD 4.13Å; E168-K172 WeakPolarHBondContact O-CB 3.38Å; E168-K172 WeakPolarHBondContact O-CG 3.49Å; E168-K172 PolarHBondContact O-N 2.97Å; E168-K172 WeakPolarHBondContact OE1-CE 3.49Å; E168-K172 IonicContact OE1-NZ 3.56Å; E168-K172 PolarHBondContact OE1-NZ 2.79Å
169C98.4Very high97.4Very high1 Ų147.5 Ų47.51%0.00728%0.276CS..Hα-helixtrans-57.9-48.9173.5-171.80000111.4L136 A165 L166 K171 K172 S173 L180L136-C169 WeakPolarHBondContact O-CB 3.09Å; L136-C169 PolarHBondContact O-SG 3.3Å; A165-C169 VanDerWaalsContact O-CB 3.26Å; A165-C169 WeakPolarHBondContact O-CB 3.31Å; A165-C169 PolarHBondContact O-N 3.1Å; L166-C169 PolarHBondContact O-N 3.25Å; C169-K171 VanDerWaalsContact C-N 3.34Å; C169-K171 PolarHBondContact O-N 3.36Å; C169-K172 PolarHBondContact O-N 2.91Å; C169-S173 WeakPolarHBondContact O-CB 3.44Å; C169-S173 PolarHBondContact O-N 2.86Å; C169-S173 PolarHBondContact O-OG 2.66Å; C169-L180 HydrophobicContact CB-CD2 4.08Å
170H98.3Very high97.3Very high30 Ų3047.5 Ų47.514%0.13928%0.276CS..Hα-helixtrans-59.7-41.9177.9-179.880000112.3L166 I167 S173 T174 L180 M207L166-H170 WeakPolarHBondContact O-CB 3.1Å; L166-H170 PolarHBondContact O-N 3.35Å; I167-H170 PolarHBondContact O-N 2.89Å; H170-S173 WeakPolarHBondContact CA-OG 3.46Å; H170-S173 PolarHBondContact O-OG 3.43Å; H170-T174 WeakPolarHBondContact O-CB 3.32Å; H170-T174 PolarHBondContact O-N 2.81Å; H170-T174 PolarHBondContact O-OG1 3.43Å; H170-L180 HydrophobicContact CB-CB 4.23Å; H170-L180 PolarHBondContact ND1-O 2.75Å; H170-M207 HydrophobicContact CB-CG 4.32Å
171K98.3Very high97.3Very high136 Ų13650.4 Ų50.459%0.59128%0.284SS*.Hα-helixtrans-63.5-50.6175.8-73175179.5178.90112.1I167 E168 C169 T174 A175I167-K171 HydrophobicContact CG2-CD 4.21Å; I167-K171 WeakPolarHBondContact O-CG 3.32Å; I167-K171 PolarHBondContact O-N 3.35Å; E168-K171 PolarHBondContact O-N 3.17Å; C169-K171 VanDerWaalsContact C-N 3.34Å; C169-K171 PolarHBondContact O-N 3.36Å; K171-T174 PolarHBondContact O-N 3.28Å; K171-A175 PolarHBondContact O-N 3.01Å; K171-A175 VanDerWaalsContact O-N 3.08Å
172K97.9Very high97.3Very high91 Ų9148.9 Ų48.940%0.39628%0.276SS..Hα-helixtrans-62.5-45.3-179.4-76.2174.7169.3171.80112.1E168 C169 A175 V176E168-K172 HydrophobicContact CG-CD 4.13Å; E168-K172 WeakPolarHBondContact O-CB 3.38Å; E168-K172 WeakPolarHBondContact O-CG 3.49Å; E168-K172 PolarHBondContact O-N 2.97Å; E168-K172 WeakPolarHBondContact OE1-CE 3.49Å; E168-K172 IonicContact OE1-NZ 3.56Å; E168-K172 PolarHBondContact OE1-NZ 2.79Å; C169-K172 PolarHBondContact O-N 2.91Å; K172-A175 PolarHBondContact O-N 2.79Å; K172-V176 PolarHBondContact O-N 2.97Å
173S97.8Very high97.3Very high0 Ų052.8 Ų52.80%029%0.293CS..Hα-helixtrans-67.1-36.7179.561.30000112.5H142 C169 H170 V176 G177 S178 A179 L180H142-S173 VanDerWaalsContact CG-CB 3.47Å; C169-S173 WeakPolarHBondContact O-CB 3.44Å; C169-S173 PolarHBondContact O-N 2.86Å; C169-S173 PolarHBondContact O-OG 2.66Å; H170-S173 WeakPolarHBondContact CA-OG 3.46Å; H170-S173 PolarHBondContact O-OG 3.43Å; S173-V176 VanDerWaalsContact O-CG2 3.25Å; S173-V176 WeakPolarHBondContact O-CG2 3.24Å; S173-V176 PolarHBondContact O-N 2.69Å; S173-G177 PolarHBondContact O-N 3.4Å; S173-S178 VanDerWaalsContact CB-O 3.31Å; S173-S178 WeakPolarHBondContact CB-O 3.35Å; S173-S178 CarbonylContact O-C 3.55Å; S173-S178 PolarHBondContact O-N 2.85Å; S173-A179 PolarHBondContact O-N 2.97Å; S173-A179 WeakPolarHBondContact OG-CA 3.43Å; S173-L180 PolarHBondContact OG-N 2.92Å
174T97.3Very high97.3Very high69 Ų6953.1 Ų53.142%0.42330%0.295SS..Hα-helixtrans-62.6-43.8172.4-64.40000111.6H170 K171 V176 G177 A179H170-T174 WeakPolarHBondContact O-CB 3.32Å; H170-T174 PolarHBondContact O-N 2.81Å; H170-T174 PolarHBondContact O-OG1 3.43Å; K171-T174 PolarHBondContact O-N 3.28Å; T174-V176 PolarHBondContact O-N 3.48Å; T174-V176 VanDerWaalsContact O-N 3.13Å; T174-G177 PolarHBondContact O-N 2.8Å; T174-A179 VanDerWaalsContact OG1-CB 3.24Å; T174-A179 WeakPolarHBondContact OG1-CB 3.49Å
175A97.1Very high97.4Very high89 Ų8947.6 Ų47.674%0.73627%0.269SS*.Hα-helixtrans-60.8-24.1179.400000113.6K171 K172K171-A175 PolarHBondContact O-N 3.01Å; K171-A175 VanDerWaalsContact O-N 3.08Å; K172-A175 PolarHBondContact O-N 2.79Å
176V95.8Very high97.4Very high100 Ų10048.2 Ų48.261%0.60627%0.273SS*.THydrogen-bonded Turntrans-102.313.9177.1-57.50000113.4K172 S173 T174 S178K172-V176 PolarHBondContact O-N 2.97Å; S173-V176 VanDerWaalsContact O-CG2 3.25Å; S173-V176 WeakPolarHBondContact O-CG2 3.24Å; S173-V176 PolarHBondContact O-N 2.69Å; T174-V176 PolarHBondContact O-N 3.48Å; T174-V176 VanDerWaalsContact O-N 3.13Å; V176-S178 VanDerWaalsContact C-N 3.3Å; V176-S178 PolarHBondContact O-N 2.91Å
177G94.4Very high97.4Very high76 Ų7648.1 Ų48.178%0.78427%0.273SS*.THydrogen-bonded Turntrans74.215175.900000115.1S173 T174S173-G177 PolarHBondContact O-N 3.4Å; T174-G177 PolarHBondContact O-N 2.8Å
178S92.4Very high97.3Very high42 Ų4246.6 Ų46.629%0.29427%0.265SS..  trans-132.349.5-178.3-179.50000110.8S173 V176 L180S173-S178 VanDerWaalsContact CB-O 3.31Å; S173-S178 WeakPolarHBondContact CB-O 3.35Å; S173-S178 CarbonylContact O-C 3.55Å; S173-S178 PolarHBondContact O-N 2.85Å; V176-S178 VanDerWaalsContact C-N 3.3Å; V176-S178 PolarHBondContact O-N 2.91Å; S178-L180 PolarHBondContact O-N 2.92Å
179A94.4Very high97.3Very high30 Ų3049.8 Ų49.825%0.24828%0.275CS..  trans-43.5134.8-177.700000112.8S173 T174 R181S173-A179 PolarHBondContact O-N 2.97Å; S173-A179 WeakPolarHBondContact OG-CA 3.43Å; T174-A179 VanDerWaalsContact OG1-CB 3.24Å; T174-A179 WeakPolarHBondContact OG1-CB 3.49Å; A179-R181 WeakPolarHBondContact O-CG 3.47Å; A179-R181 PolarHBondContact O-N 3.14Å
180L97.3Very high97.3Very high1 Ų149.8 Ų49.81%0.00527%0.274CS..  trans-58.4124.2171174.965.4000108.1C141 L144 L166 C169 H170 S173 S178 M207C141-L180 WeakPolarHBondContact O-CD1 3.32Å; L144-L180 HydrophobicContact CB-CD1 3.92Å; L144-L180 WeakPolarHBondContact O-CD1 3.31Å; L166-L180 HydrophobicContact CD2-CD2 4.16Å; C169-L180 HydrophobicContact CB-CD2 4.08Å; H170-L180 HydrophobicContact CB-CB 4.23Å; H170-L180 PolarHBondContact ND1-O 2.75Å; S173-L180 PolarHBondContact OG-N 2.92Å; S178-L180 PolarHBondContact O-N 2.92Å; L180-M207 HydrophobicContact CD2-SD 3.86Å; L180-M207 HydrophobicContact CG-SD 4.11Å
181R96.4Very high97.3Very high151 Ų15156.4 Ų56.457%0.5730%0.298SS*.  trans-129.785.2174.8-52172.565.1165.12.7108.6R145 A179 S209R145-R181 WeakPolarHBondContact CD-O 3.49Å; R145-R181 VanDerWaalsContact NH1-CB 3.27Å; R145-R181 PolarHBondContact NH1-O 2.78Å; A179-R181 WeakPolarHBondContact O-CG 3.47Å; A179-R181 PolarHBondContact O-N 3.14Å; R181-S209 WeakPolarHBondContact CA-OG 3.43Å; R181-S209 WeakPolarHBondContact CB-OG 3.02Å
182L98.4Very high97.3Very high0 Ų049.9 Ų49.90%027%0.27CS..  trans-71.5131.7176.9-166.272.8000108.6L144 R145 L147 F185 M207 S209 L210L144-L182 HydrophobicContact CD2-CD1 4.37Å; L144-L182 HydrophobicContact CG-CD1 4.22Å; R145-L182 WeakPolarHBondContact O-CD1 3.48Å; L147-L182 HydrophobicContact CB-CD1 3.99Å; L147-L182 HydrophobicContact CB-CD2 4.31Å; L182-F185 HydrophobicContact CD2-CB 3.87Å; L182-F185 HydrophobicContact CD2-CD2 3.75Å; L182-F185 HydrophobicContact CD2-CG 4.27Å; L182-M207 HydrophobicContact CB-CE 4.4Å; L182-M207 HydrophobicContact CB-SD 3.98Å; L182-S209 CarbonylContact O-C 3.53Å; L182-S209 VanDerWaalsContact O-C 3.25Å; L182-S209 VanDerWaalsContact O-O 3.12Å; L182-L210 HydrophobicContact CB-CD2 4.19Å; L182-L210 HydrophobicContact CD2-CD2 4.14Å; L182-L210 HydrophobicContact CG-CD2 4.2Å; L182-L210 WeakPolarHBondContact O-CA 3.39Å; L182-L210 WeakPolarHBondContact O-CD2 3.42Å; L182-L210 PolarHBondContact O-N 2.96Å
183K98.7Very high97.3Very high82 Ų8248.5 Ų48.536%0.35727%0.265SS..  trans-101-45.8179.4-68179.1166.2-122.30111.2R145 E211 E212R145-K183 HydrophobicContact CB-CD 4.41Å; R145-K183 PolarHBondContact O-N 2.79Å; K183-E211 HydrophobicContact CB-CB 4.47Å; K183-E211 HydrophobicContact CB-CG 4.34Å; K183-E211 WeakPolarHBondContact CD-OE1 3.29Å; K183-E211 VanDerWaalsContact CE-OE1 3.24Å; K183-E211 WeakPolarHBondContact CE-OE1 3.4Å; K183-E211 HydrophobicContact CG-CG 4.43Å; K183-E211 IonicContact NZ-OE1 2.91Å; K183-E211 PolarHBondContact NZ-OE1 3.31Å; K183-E211 IonicContact NZ-OE2 3.64Å; K183-E211 PolarHBondContact O-N 3.01Å; K183-E212 PolarHBondContact O-N 3.45Å
184V98.9Very high97.3Very high9 Ų950.3 Ų50.36%0.05527%0.274CS..EExtended strand (participates in β ladder)trans-118.7123.7-176.5-176.60000109.2R145 E146 L147 V186 E212R145-V184 PolarHBondContact O-N 3.42Å; E146-V184 WeakPolarHBondContact CA-O 3.22Å; E146-V184 HydrophobicContact CB-CB 4.17Å; E146-V184 HydrophobicContact CG-CB 3.87Å; E146-V184 HydrophobicContact CG-CG2 4.01Å; L147-V184 PolarHBondContact N-O 3.25Å; V184-V186 HydrophobicContact CG1-CG2 4.02Å; V184-E212 HydrophobicContact CG1-CB 4.23Å; V184-E212 HydrophobicContact CG2-CB 4.21Å; V184-E212 HydrophobicContact CG2-CG 4.39Å
185F98.9Very high97.4Very high0 Ų051 Ų510%028%0.276CS..EExtended strand (participates in β ladder)trans-123.7121.7173.2-176.7-96.4000110.3L147 L162 L166 L182 A187 L200 F204 L210 E212 H214 M215L147-F185 HydrophobicContact CD2-CD2 4.49Å; L147-F185 HydrophobicContact CD2-CE2 4.28Å; L162-F185 HydrophobicContact CD2-CE2 4Å; L162-F185 HydrophobicContact CD2-CZ 3.92Å; L166-F185 HydrophobicContact CD1-CE2 4.3Å; L182-F185 HydrophobicContact CD2-CB 3.87Å; L182-F185 HydrophobicContact CD2-CD2 3.75Å; L182-F185 HydrophobicContact CD2-CG 4.27Å; F185-A187 HydrophobicContact CD1-CB 4.31Å; F185-A187 HydrophobicContact CE1-CB 3.41Å; F185-A187 VanDerWaalsContact CE1-CB 3.41Å; F185-A187 HydrophobicContact CZ-CB 3.58Å; F185-L200 HydrophobicContact CE1-CD1 4.18Å; F185-L200 HydrophobicContact CE2-CD2 4.36Å; F185-L200 HydrophobicContact CZ-CD1 4.01Å; F185-L200 HydrophobicContact CZ-CD2 3.83Å; F185-F204 HydrophobicContact CD1-CE1 4.06Å; F185-F204 HydrophobicContact CD1-CE2 4.46Å; F185-F204 AromaticContact CD1-CZ 3.48Å; F185-F204 HydrophobicContact CD1-CZ 3.48Å; F185-F204 VanDerWaalsContact CD1-CZ 3.48Å; F185-F204 HydrophobicContact CD2-CE1 4.24Å; F185-F204 HydrophobicContact CD2-CZ 4.43Å; F185-F204 HydrophobicContact CE1-CE1 4.29Å; F185-F204 AromaticContact CE1-CZ 3.6Å; F185-F204 HydrophobicContact CE1-CZ 3.6Å; F185-F204 HydrophobicContact CE2-CE1 4.47Å; F185-F204 HydrophobicContact CG-CE1 4.02Å; F185-F204 AromaticContact CG-CZ 3.91Å; F185-F204 HydrophobicContact CG-CZ 3.91Å; F185-F204 HydrophobicContact CZ-CE1 4.48Å; F185-F204 HydrophobicContact CZ-CZ 4.15Å; F185-L210 HydrophobicContact CB-CD2 4.1Å; F185-E212 PolarHBondContact N-O 3.34Å; F185-H214 PolarHBondContact O-N 2.98Å; F185-M215 HydrophobicContact CD1-CG 4.23Å; F185-M215 HydrophobicContact CD1-SD 4.29Å; F185-M215 HydrophobicContact CE1-CG 4.08Å; F185-M215 HydrophobicContact CE1-SD 4.02Å
186V98.9Very high97.4Very high14 Ų1446.8 Ų46.89%0.08524%0.241CC..EExtended strand (participates in β ladder)trans-124.2119177.7-173.50000109.2L147 R148 L149 N150 V184 H214L147-V186 PolarHBondContact O-N 2.89Å; R148-V186 HydrophobicContact CB-CB 4.22Å; R148-V186 HydrophobicContact CG-CB 4.1Å; R148-V186 HydrophobicContact CG-CG2 3.97Å; L149-V186 PolarHBondContact N-O 3.07Å; N150-V186 HydrophobicContact CB-CG1 3.9Å; V184-V186 HydrophobicContact CG1-CG2 4.02Å; V186-H214 CarbonylContact C-O 3.55Å; V186-H214 WeakPolarHBondContact CA-O 3.34Å; V186-H214 HydrophobicContact CB-CB 4.29Å; V186-H214 HydrophobicContact CG1-CB 3.95Å; V186-H214 HydrophobicContact CG2-CB 4.09Å
187A98.2Very high97.6Very high0 Ų042 Ų420%021%0.212CC..  trans-150.946.5178.100000111.9M154 F185 N190 L192 H214 N218M154-A187 HydrophobicContact CE-CB 4.05Å; F185-A187 HydrophobicContact CD1-CB 4.31Å; F185-A187 HydrophobicContact CE1-CB 3.41Å; F185-A187 VanDerWaalsContact CE1-CB 3.41Å; F185-A187 HydrophobicContact CZ-CB 3.58Å; A187-N190 PolarHBondContact O-ND2 2.85Å; A187-L192 HydrophobicContact CB-CD1 4.33Å; A187-H214 PolarHBondContact N-O 3.38Å; A187-N218 PolarHBondContact O-ND2 3.14Å; A187-N218 PolarHBondContact O-OD1 3.06Å
188G98.1Very high97.8Very high0 Ų040.1 Ų40.10%019%0.186CC..  trans-71.5164.9172.700000113.3N150 N151 N190 P216N150-G188 VanDerWaalsContact OD1-C 3.27Å; N150-G188 WeakPolarHBondContact OD1-CA 3.32Å; N150-G188 PolarHBondContact OD1-N 3.25Å; N150-G188 PolarHBondContact OD1-O 2.74Å; N151-G188 PolarHBondContact N-O 3.17Å; G188-N190 VanDerWaalsContact C-N 3.29Å; G188-N190 PolarHBondContact O-N 3.31Å; G188-N190 PolarHBondContact O-ND2 3.18Å; G188-P216 CarbonylContact C-O 3.59Å; G188-P216 WeakPolarHBondContact CA-O 2.95Å
189R98Very high98.1Very high125 Ų12539 Ų3947%0.47218%0.18SC..SBendtrans56.138.4173.1-59.5-179.674.4-163.71113.9N151 P216 Q217N151-R189 HydrophobicContact CB-CB 4.01Å; R189-P216 PolarHBondContact N-O 3.33Å; R189-Q217 VanDerWaalsContact CA-O 3.22Å; R189-Q217 WeakPolarHBondContact CA-O 3.18Å; R189-Q217 VanDerWaalsContact CD-OE1 3.31Å; R189-Q217 HydrophobicContact CG-CB 3.65Å; R189-Q217 HydrophobicContact CG-CG 4.35Å; R189-Q217 PolarHBondContact N-O 2.84Å
190N98.1Very high98.3Very high0 Ų037.6 Ų37.60%017%0.168CC..SBendtrans-114.6-4.4-176.8-78.9-58.8000114.8L149 C152 G153 M154 G155 A187 G188 L192 N218L149-N190 PolarHBondContact O-ND2 3.09Å; C152-N190 WeakPolarHBondContact CA-OD1 3.18Å; C152-N190 WeakPolarHBondContact CB-OD1 2.99Å; C152-N190 PolarHBondContact N-OD1 2.78Å; G153-N190 PolarHBondContact N-OD1 2.88Å; M154-N190 HydrophobicContact CB-CB 4.25Å; M154-N190 HydrophobicContact CE-CB 3.86Å; M154-N190 VanDerWaalsContact CE-ND2 3.26Å; M154-N190 WeakPolarHBondContact CE-ND2 3.32Å; M154-N190 PolarHBondContact N-O 2.88Å; M154-N190 PolarHBondContact N-OD1 3.23Å; G155-N190 WeakPolarHBondContact CA-O 3.44Å; G155-N190 PolarHBondContact N-O 3.25Å; A187-N190 PolarHBondContact O-ND2 2.85Å; G188-N190 VanDerWaalsContact C-N 3.29Å; G188-N190 PolarHBondContact O-N 3.31Å; G188-N190 PolarHBondContact O-ND2 3.18Å; N190-L192 VanDerWaalsContact C-N 3.27Å; N190-L192 HydrophobicContact CB-CD1 4.49Å; N190-L192 HydrophobicContact CB-CD2 4.09Å; N190-L192 HydrophobicContact CB-CG 3.87Å; N190-L192 PolarHBondContact O-N 2.94Å; N190-N218 WeakPolarHBondContact CA-OD1 3.29Å; N190-N218 WeakPolarHBondContact CB-OD1 3.4Å; N190-N218 PolarHBondContact N-OD1 3.37Å
191R97.6Very high98.3Very high169 Ų16937.8 Ų37.864%0.63817%0.17SC*.  trans51.947.5-172.5-60.2-169.460-163.3-9.4112G155 I156 E193 N218G155-R191 CarbonylContact C-O 3.28Å; G155-R191 VanDerWaalsContact CA-O 3.26Å; G155-R191 WeakPolarHBondContact CA-O 3.35Å; I156-R191 PolarHBondContact N-O 2.89Å; R191-E193 IonicContact CZ-OE1 3.65Å; R191-E193 IonicContact NE-OE1 2.77Å; R191-E193 IonicContact NH2-OE1 3.98Å; R191-E193 PolarHBondContact NH2-OE1 2.96Å; R191-E193 PolarHBondContact O-N 3.27Å; R191-N218 CarbonylContact C-O 3.51Å; R191-N218 WeakPolarHBondContact CA-O 3.43Å; R191-N218 PolarHBondContact N-OD1 3.47Å
192L98.1Very high98.5Very high0 Ų037 Ų370%017%0.171CC..  trans-65.2-30.5178.5-65.2171.6000111.8M154 I156 A187 N190 G196 L200 M215 N218M154-L192 HydrophobicContact CE-CD2 4.07Å; I156-L192 WeakPolarHBondContact CG1-O 3.46Å; A187-L192 HydrophobicContact CB-CD1 4.33Å; N190-L192 VanDerWaalsContact C-N 3.27Å; N190-L192 HydrophobicContact CB-CD1 4.49Å; N190-L192 HydrophobicContact CB-CD2 4.09Å; N190-L192 HydrophobicContact CB-CG 3.87Å; N190-L192 PolarHBondContact O-N 2.94Å; L192-G196 VanDerWaalsContact O-CA 3.29Å; L192-G196 WeakPolarHBondContact O-CA 3.35Å; L192-G196 PolarHBondContact O-N 2.84Å; L192-G196 VanDerWaalsContact O-N 3.08Å; L192-L200 HydrophobicContact CD1-CD1 3.79Å; L192-L200 HydrophobicContact CD2-CD1 4.44Å; L192-M215 HydrophobicContact CD1-CE 3.48Å; L192-M215 VanDerWaalsContact CD1-CE 3.48Å; L192-N218 HydrophobicContact CB-CB 4.18Å; L192-N218 HydrophobicContact CD1-CB 4.5Å; L192-N218 HydrophobicContact CG-CB 4.49Å; L192-N218 WeakPolarHBondContact CG-OD1 3.26Å; L192-N218 PolarHBondContact N-O 3.38Å
193E98.4Very high98.5Very high62 Ų6237.1 Ų37.129%0.2917%0.171SC..Hα-helixtrans51.4-168-177-57.8174.8-162.200111.1I156 R191 D195 A197 N218I156-E193 HydrophobicContact CD1-CB 4.11Å; I156-E193 HydrophobicContact CD1-CG 4.48Å; I156-E193 WeakPolarHBondContact CD1-OE2 3.43Å; I156-E193 HydrophobicContact CG1-CB 3.85Å; I156-E193 HydrophobicContact CG1-CG 4.33Å; R191-E193 IonicContact CZ-OE1 3.65Å; R191-E193 IonicContact NE-OE1 2.77Å; R191-E193 IonicContact NH2-OE1 3.98Å; R191-E193 PolarHBondContact NH2-OE1 2.96Å; R191-E193 PolarHBondContact O-N 3.27Å; E193-D195 PolarHBondContact O-N 2.82Å; E193-A197 VanDerWaalsContact O-CB 3.27Å; E193-A197 WeakPolarHBondContact O-CB 3.01Å; E193-A197 PolarHBondContact O-N 2.87Å; E193-A197 VanDerWaalsContact O-N 3.15Å; E193-N218 PolarHBondContact N-O 3.24Å
194N98.4Very high98.5Very high38 Ų3833.3 Ų33.320%0.20316%0.155CC..Hα-helixtrans-64.3-42.6-172.6-63.2-27.3000113.3A197 S198 N221 G224N194-A197 PolarHBondContact O-N 3.15Å; N194-S198 VanDerWaalsContact O-CB 3.26Å; N194-S198 WeakPolarHBondContact O-CB 3.39Å; N194-S198 PolarHBondContact O-N 2.88Å; N194-S198 PolarHBondContact O-OG 2.95Å; N194-N221 PolarHBondContact ND2-ND2 3.48Å; N194-N221 PolarHBondContact ND2-OD1 2.97Å; N194-N221 VanDerWaalsContact OD1-CG 3.27Å; N194-N221 PolarHBondContact OD1-N 3.41Å; N194-N221 PolarHBondContact OD1-OD1 3.01Å; N194-G224 PolarHBondContact OD1-N 3.13Å
195D98.3Very high98.4Very high84 Ų8436.8 Ų36.845%0.44917%0.17SC..Hα-helixtrans-69.6-42.1-173.6-97.122.6000112.5I156 K160 E193 A199I156-D195 HydrophobicContact CG2-CB 3.47Å; I156-D195 VanDerWaalsContact CG2-CB 3.47Å; K160-D195 WeakPolarHBondContact CE-OD2 3.1Å; K160-D195 IonicContact NZ-OD2 2.83Å; K160-D195 PolarHBondContact NZ-OD2 2.75Å; E193-D195 PolarHBondContact O-N 2.82Å; D195-A199 PolarHBondContact O-N 3.29Å; D195-A199 VanDerWaalsContact O-N 3.08Å
196G98.3Very high98.3Very high0 Ų041.1 Ų41.10%019%0.193CC..Hα-helixtrans-67.4-43.1174.900000111.2L192 A199 L200L192-G196 VanDerWaalsContact O-CA 3.29Å; L192-G196 WeakPolarHBondContact O-CA 3.35Å; L192-G196 PolarHBondContact O-N 2.84Å; L192-G196 VanDerWaalsContact O-N 3.08Å; G196-A199 PolarHBondContact O-N 3.47Å; G196-L200 WeakPolarHBondContact O-CG 3.13Å; G196-L200 PolarHBondContact O-N 3.23Å
197A98.7Very high98.1Very high0 Ų041.1 Ų41.10%019%0.192CC..Hα-helixtrans-61.7-43175.600000112.4E193 N194 A199 L200 A201 I220 L228E193-A197 VanDerWaalsContact O-CB 3.27Å; E193-A197 WeakPolarHBondContact O-CB 3.01Å; E193-A197 PolarHBondContact O-N 2.87Å; E193-A197 VanDerWaalsContact O-N 3.15Å; N194-A197 PolarHBondContact O-N 3.15Å; A197-A199 VanDerWaalsContact C-N 3.35Å; A197-A199 PolarHBondContact O-N 2.85Å; A197-L200 PolarHBondContact O-N 3.32Å; A197-A201 WeakPolarHBondContact O-CB 3.19Å; A197-A201 PolarHBondContact O-N 3.26Å; A197-I220 HydrophobicContact CB-CD1 3.75Å; A197-I220 HydrophobicContact CB-CG1 3.95Å; A197-I220 HydrophobicContact CB-CG2 3.87Å; A197-L228 HydrophobicContact CB-CD1 4.14Å; A197-L228 HydrophobicContact CB-CG 4.34Å
198S98.8Very high98Very high36 Ų3642.5 Ų42.525%0.25221%0.207SC..Hα-helixtrans-65.9-36.3178.6-61.90000112.3N194 A201 K202 A227N194-S198 VanDerWaalsContact O-CB 3.26Å; N194-S198 WeakPolarHBondContact O-CB 3.39Å; N194-S198 PolarHBondContact O-N 2.88Å; N194-S198 PolarHBondContact O-OG 2.95Å; S198-A201 PolarHBondContact O-N 3.16Å; S198-K202 PolarHBondContact O-N 2.82Å; S198-A227 WeakPolarHBondContact OG-CB 3.17Å
199A98.8Very high98Very high19 Ų1942.9 Ų42.916%0.15721%0.209CC..Hα-helixtrans-64.5-46.7173.100000111.2K160 A163 D195 G196 A197 A201 K202 A203K160-A199 HydrophobicContact CG-CB 4.07Å; A163-A199 HydrophobicContact CB-CB 3.68Å; A163-A199 WeakPolarHBondContact CB-O 3.2Å; D195-A199 PolarHBondContact O-N 3.29Å; D195-A199 VanDerWaalsContact O-N 3.08Å; G196-A199 PolarHBondContact O-N 3.47Å; A197-A199 VanDerWaalsContact C-N 3.35Å; A197-A199 PolarHBondContact O-N 2.85Å; A199-A201 VanDerWaalsContact C-N 3.33Å; A199-A201 PolarHBondContact O-N 2.75Å; A199-K202 WeakPolarHBondContact O-CB 3.34Å; A199-K202 PolarHBondContact O-N 3.36Å; A199-A203 PolarHBondContact O-N 3.21Å
200L98.8Very high98.1Very high0 Ų036.9 Ų36.90%019%0.187CC..Hα-helixtrans-63-37.8176.5-73.1168.3000112.3L162 A163 L166 F185 L192 G196 A197 K202 A203 F204 M215L162-L200 HydrophobicContact CD2-CD2 4.15Å; L162-L200 HydrophobicContact CG-CD2 4.16Å; A163-L200 HydrophobicContact CB-CD2 4.05Å; A163-L200 HydrophobicContact CB-CG 4.3Å; L166-L200 HydrophobicContact CD1-CD2 4.41Å; F185-L200 HydrophobicContact CE1-CD1 4.18Å; F185-L200 HydrophobicContact CE2-CD2 4.36Å; F185-L200 HydrophobicContact CZ-CD1 4.01Å; F185-L200 HydrophobicContact CZ-CD2 3.83Å; L192-L200 HydrophobicContact CD1-CD1 3.79Å; L192-L200 HydrophobicContact CD2-CD1 4.44Å; G196-L200 WeakPolarHBondContact O-CG 3.13Å; G196-L200 PolarHBondContact O-N 3.23Å; A197-L200 PolarHBondContact O-N 3.32Å; L200-K202 VanDerWaalsContact C-N 3.26Å; L200-K202 PolarHBondContact O-N 2.95Å; L200-A203 WeakPolarHBondContact O-CA 3.43Å; L200-A203 WeakPolarHBondContact O-CB 3.32Å; L200-A203 PolarHBondContact O-N 3.26Å; L200-F204 HydrophobicContact CB-CE1 4.42Å; L200-F204 HydrophobicContact CB-CE2 4.11Å; L200-F204 HydrophobicContact CB-CZ 3.94Å; L200-F204 HydrophobicContact CD2-CE1 4.48Å; L200-F204 HydrophobicContact CD2-CZ 4.42Å; L200-F204 WeakPolarHBondContact O-CD1 3.31Å; L200-F204 VanDerWaalsContact O-CG 3.27Å; L200-F204 WeakPolarHBondContact O-CG 3.15Å; L200-F204 PolarHBondContact O-N 2.95Å; L200-M215 HydrophobicContact CD1-CE 3.73Å
201A98.8Very high98.1Very high5 Ų539.1 Ų39.14%0.04120%0.197CC..Hα-helixtrans-55.1-41.8175.100000111.9A197 S198 A199 A203 F204 Q205 A227 L228 A231A197-A201 WeakPolarHBondContact O-CB 3.19Å; A197-A201 PolarHBondContact O-N 3.26Å; S198-A201 PolarHBondContact O-N 3.16Å; A199-A201 VanDerWaalsContact C-N 3.33Å; A199-A201 PolarHBondContact O-N 2.75Å; A201-A203 VanDerWaalsContact C-N 3.32Å; A201-A203 PolarHBondContact O-N 2.83Å; A201-F204 PolarHBondContact O-N 3.08Å; A201-Q205 WeakPolarHBondContact O-CB 3.16Å; A201-Q205 PolarHBondContact O-N 3.19Å; A201-A227 HydrophobicContact CB-CB 4.12Å; A201-A227 WeakPolarHBondContact CB-O 3.47Å; A201-L228 HydrophobicContact CB-CD2 4.27Å; A201-A231 HydrophobicContact CB-CB 3.89Å; A201-A231 WeakPolarHBondContact O-CB 3.28Å
202K98.7Very high98.2Very high135 Ų13533 Ų3359%0.58718%0.175SC*.Hα-helixtrans-60.8-40.8174.7-65174.1-177.3179.20112I167 S198 A199 L200 L206I167-K202 HydrophobicContact CD1-CB 4.23Å; S198-K202 PolarHBondContact O-N 2.82Å; A199-K202 WeakPolarHBondContact O-CB 3.34Å; A199-K202 PolarHBondContact O-N 3.36Å; L200-K202 VanDerWaalsContact C-N 3.26Å; L200-K202 PolarHBondContact O-N 2.95Å; K202-L206 WeakPolarHBondContact O-CG 3.26Å; K202-L206 PolarHBondContact O-N 3.44Å
203A98.4Very high98.2Very high2 Ų233 Ų332%0.01718%0.175CC..Hα-helixtrans-65.5-44.8176.100000111.7L166 I167 A199 L200 A201 Q205 L206 M207L166-A203 HydrophobicContact CB-CB 4.25Å; I167-A203 HydrophobicContact CD1-CB 4.24Å; I167-A203 HydrophobicContact CG1-CB 3.74Å; A199-A203 PolarHBondContact O-N 3.21Å; L200-A203 WeakPolarHBondContact O-CA 3.43Å; L200-A203 WeakPolarHBondContact O-CB 3.32Å; L200-A203 PolarHBondContact O-N 3.26Å; A201-A203 VanDerWaalsContact C-N 3.32Å; A201-A203 PolarHBondContact O-N 2.83Å; A203-Q205 PolarHBondContact O-N 3.02Å; A203-L206 PolarHBondContact O-N 3.35Å; A203-M207 HydrophobicContact CB-CE 4.32Å; A203-M207 WeakPolarHBondContact O-CE 3.41Å; A203-M207 WeakPolarHBondContact O-CG 3.47Å; A203-M207 PolarHBondContact O-N 3.03Å; A203-M207 VanDerWaalsContact O-N 3.1Å
204F98.6Very high98.2Very high1 Ų132 Ų320%0.00417%0.171CC..Hα-helixtrans-64.9-38.4179.8-61.2-14.5000112.7F185 L200 A201 M207 G208 L210 I213 M215 L228 A231 N235F185-F204 HydrophobicContact CD1-CE1 4.06Å; F185-F204 HydrophobicContact CD1-CE2 4.46Å; F185-F204 AromaticContact CD1-CZ 3.48Å; F185-F204 HydrophobicContact CD1-CZ 3.48Å; F185-F204 VanDerWaalsContact CD1-CZ 3.48Å; F185-F204 HydrophobicContact CD2-CE1 4.24Å; F185-F204 HydrophobicContact CD2-CZ 4.43Å; F185-F204 HydrophobicContact CE1-CE1 4.29Å; F185-F204 AromaticContact CE1-CZ 3.6Å; F185-F204 HydrophobicContact CE1-CZ 3.6Å; F185-F204 HydrophobicContact CE2-CE1 4.47Å; F185-F204 HydrophobicContact CG-CE1 4.02Å; F185-F204 AromaticContact CG-CZ 3.91Å; F185-F204 HydrophobicContact CG-CZ 3.91Å; F185-F204 HydrophobicContact CZ-CE1 4.48Å; F185-F204 HydrophobicContact CZ-CZ 4.15Å; L200-F204 HydrophobicContact CB-CE1 4.42Å; L200-F204 HydrophobicContact CB-CE2 4.11Å; L200-F204 HydrophobicContact CB-CZ 3.94Å; L200-F204 HydrophobicContact CD2-CE1 4.48Å; L200-F204 HydrophobicContact CD2-CZ 4.42Å; L200-F204 WeakPolarHBondContact O-CD1 3.31Å; L200-F204 VanDerWaalsContact O-CG 3.27Å; L200-F204 WeakPolarHBondContact O-CG 3.15Å; L200-F204 PolarHBondContact O-N 2.95Å; A201-F204 PolarHBondContact O-N 3.08Å; F204-M207 HydrophobicContact CD1-CE 3.91Å; F204-M207 PolarHBondContact O-N 3.41Å; F204-G208 PolarHBondContact O-N 3.28Å; F204-L210 HydrophobicContact CB-CD1 3.65Å; F204-L210 HydrophobicContact CD1-CD1 3.5Å; F204-L210 VanDerWaalsContact CD1-CD1 3.5Å; F204-L210 HydrophobicContact CD2-CD1 4.1Å; F204-L210 HydrophobicContact CE1-CD1 4.15Å; F204-L210 HydrophobicContact CG-CD1 3.47Å; F204-L210 VanDerWaalsContact CG-CD1 3.47Å; F204-I213 HydrophobicContact CD2-CD1 4.29Å; F204-I213 HydrophobicContact CE2-CD1 4.45Å; F204-M215 HydrophobicContact CE2-SD 3.9Å; F204-M215 HydrophobicContact CZ-SD 4.2Å; F204-L228 HydrophobicContact CD2-CD2 4.2Å; F204-L228 HydrophobicContact CE2-CD2 4.06Å; F204-A231 HydrophobicContact CB-CB 3.98Å; F204-N235 PolarHBondContact O-ND2 2.95Å; F204-N235 VanDerWaalsContact O-ND2 3.08Å
205Q97.8Very high98.2Very high82 Ų8230.2 Ų30.238%0.38316%0.161SC..Hα-helixtrans-62.5-42.7175.4-178.9172.817.800111.7A201 A203 A231 H234A201-Q205 WeakPolarHBondContact O-CB 3.16Å; A201-Q205 PolarHBondContact O-N 3.19Å; A203-Q205 PolarHBondContact O-N 3.02Å; Q205-A231 HydrophobicContact CB-CB 4.16Å; Q205-H234 HydrophobicContact CG-CB 4.49Å; Q205-H234 PolarHBondContact NE2-CE1 3.24Å; Q205-H234 PolarHBondContact NE2-NE2 3.04Å
206L96.7Very high98.2Very high91 Ų9127.1 Ų27.148%0.47615%0.146SC..Hα-helixtrans-67.5-39.5179.1-74167.9000112.6I167 K202 A203I167-L206 HydrophobicContact CD1-CD1 4.4Å; I167-L206 HydrophobicContact CG1-CD1 3.98Å; I167-L206 HydrophobicContact CG2-CD1 3.96Å; K202-L206 WeakPolarHBondContact O-CG 3.26Å; K202-L206 PolarHBondContact O-N 3.44Å; A203-L206 PolarHBondContact O-N 3.35Å
207M95.3Very high98.2Very high14 Ų1430.8 Ų30.87%0.06916%0.163CC..Hα-helixtrans-76.4-36.7-174.8-72.3-174-71.300114.1H170 L180 L182 A203 F204 S209H170-M207 HydrophobicContact CB-CG 4.32Å; L180-M207 HydrophobicContact CD2-SD 3.86Å; L180-M207 HydrophobicContact CG-SD 4.11Å; L182-M207 HydrophobicContact CB-CE 4.4Å; L182-M207 HydrophobicContact CB-SD 3.98Å; A203-M207 HydrophobicContact CB-CE 4.32Å; A203-M207 WeakPolarHBondContact O-CE 3.41Å; A203-M207 WeakPolarHBondContact O-CG 3.47Å; A203-M207 PolarHBondContact O-N 3.03Å; A203-M207 VanDerWaalsContact O-N 3.1Å; F204-M207 HydrophobicContact CD1-CE 3.91Å; F204-M207 PolarHBondContact O-N 3.41Å; M207-S209 PolarHBondContact O-N 3.1Å; M207-S209 PolarHBondContact O-OG 3.35Å
208G96.4Very high98.2Very high29 Ų2930.9 Ų30.930%0.29916%0.163SC..  trans52.527.2175.700000116.1F204 H234 N235F204-G208 PolarHBondContact O-N 3.28Å; G208-H234 WeakPolarHBondContact CA-O 3.48Å; G208-N235 VanDerWaalsContact CA-OD1 3.22Å; G208-N235 WeakPolarHBondContact CA-OD1 3.3Å
209S98Very high98.2Very high8 Ų831.5 Ų31.56%0.05618%0.176CC..  trans-132.45.1-170.743.10000114.9R181 L182 M207 N235R181-S209 WeakPolarHBondContact CA-OG 3.43Å; R181-S209 WeakPolarHBondContact CB-OG 3.02Å; L182-S209 CarbonylContact O-C 3.53Å; L182-S209 VanDerWaalsContact O-C 3.25Å; L182-S209 VanDerWaalsContact O-O 3.12Å; M207-S209 PolarHBondContact O-N 3.1Å; M207-S209 PolarHBondContact O-OG 3.35Å; S209-N235 PolarHBondContact N-OD1 2.96Å
210L98.7Very high98.2Very high0 Ų030.7 Ų30.70%017%0.169CC..  trans-68.3138.6179.8-67.7162.6000110.9L182 F185 F204 I213 N235 L238L182-L210 HydrophobicContact CB-CD2 4.19Å; L182-L210 HydrophobicContact CD2-CD2 4.14Å; L182-L210 HydrophobicContact CG-CD2 4.2Å; L182-L210 WeakPolarHBondContact O-CA 3.39Å; L182-L210 WeakPolarHBondContact O-CD2 3.42Å; L182-L210 PolarHBondContact O-N 2.96Å; F185-L210 HydrophobicContact CB-CD2 4.1Å; F204-L210 HydrophobicContact CB-CD1 3.65Å; F204-L210 HydrophobicContact CD1-CD1 3.5Å; F204-L210 VanDerWaalsContact CD1-CD1 3.5Å; F204-L210 HydrophobicContact CD2-CD1 4.1Å; F204-L210 HydrophobicContact CE1-CD1 4.15Å; F204-L210 HydrophobicContact CG-CD1 3.47Å; F204-L210 VanDerWaalsContact CG-CD1 3.47Å; L210-I213 HydrophobicContact CB-CD1 4.45Å; L210-I213 HydrophobicContact CB-CG1 4.34Å; L210-I213 HydrophobicContact CD1-CD1 3.79Å; L210-I213 HydrophobicContact CD1-CG1 4.08Å; L210-N235 HydrophobicContact CB-CB 4.24Å; L210-N235 WeakPolarHBondContact CB-OD1 3.35Å; L210-N235 PolarHBondContact N-OD1 2.97Å; L210-L238 HydrophobicContact CB-CD2 3.93Å; L210-L238 WeakPolarHBondContact O-CG 3.44Å; L210-L238 PolarHBondContact O-N 3.17Å
211E98.8Very high98.1Very high47 Ų4733.3 Ų33.322%0.2218%0.183CC..SBendtrans-110.3-33173.9-63.5178.6-151.300110.1K183 E237 R239 V240K183-E211 HydrophobicContact CB-CB 4.47Å; K183-E211 HydrophobicContact CB-CG 4.34Å; K183-E211 WeakPolarHBondContact CD-OE1 3.29Å; K183-E211 VanDerWaalsContact CE-OE1 3.24Å; K183-E211 WeakPolarHBondContact CE-OE1 3.4Å; K183-E211 HydrophobicContact CG-CG 4.43Å; K183-E211 IonicContact NZ-OE1 2.91Å; K183-E211 PolarHBondContact NZ-OE1 3.31Å; K183-E211 IonicContact NZ-OE2 3.64Å; K183-E211 PolarHBondContact O-N 3.01Å; E211-E237 HydrophobicContact CG-CB 4.12Å; E211-R239 PolarHBondContact O-N 2.99Å; E211-V240 PolarHBondContact O-N 3.26Å; E211-V240 VanDerWaalsContact O-N 3.14Å
212E98.9Very high98Very high39 Ų3935.9 Ų35.918%0.18219%0.192CC..EExtended strand (participates in β ladder)trans-140.6128.1-176.9-53.9-171.717800111.4K183 V184 F185 H214 R239 V240K183-E212 PolarHBondContact O-N 3.45Å; V184-E212 HydrophobicContact CG1-CB 4.23Å; V184-E212 HydrophobicContact CG2-CB 4.21Å; V184-E212 HydrophobicContact CG2-CG 4.39Å; F185-E212 PolarHBondContact N-O 3.34Å; E212-H214 IonicContact OE2-NE2 2.6Å; E212-R239 IonicContact OE1-CZ 3.78Å; E212-R239 IonicContact OE1-NE 3.23Å; E212-R239 IonicContact OE1-NH2 3.37Å; E212-R239 PolarHBondContact OE1-NH2 2.96Å; E212-V240 HydrophobicContact CB-CB 4.03Å; E212-V240 HydrophobicContact CG-CB 3.88Å; E212-V240 HydrophobicContact CG-CG2 3.88Å
213I98.8Very high98Very high0 Ų031.5 Ų31.50%018%0.181CC..EExtended strand (participates in β ladder)trans-124.9122.3175.2-57174.4000109F204 L210 M215 I232 L238 V240 L241 N242 F243F204-I213 HydrophobicContact CD2-CD1 4.29Å; F204-I213 HydrophobicContact CE2-CD1 4.45Å; L210-I213 HydrophobicContact CB-CD1 4.45Å; L210-I213 HydrophobicContact CB-CG1 4.34Å; L210-I213 HydrophobicContact CD1-CD1 3.79Å; L210-I213 HydrophobicContact CD1-CG1 4.08Å; I213-M215 HydrophobicContact CG2-CG 3.9Å; I213-M215 HydrophobicContact CG2-SD 3.87Å; I213-I232 HydrophobicContact CD1-CG1 4.1Å; I213-L238 HydrophobicContact CD1-CD1 4.49Å; I213-L238 HydrophobicContact CD1-CD2 3.97Å; I213-L238 HydrophobicContact CG1-CD2 3.96Å; I213-V240 PolarHBondContact N-O 3.26Å; I213-L241 HydrophobicContact CB-CD2 4.16Å; I213-L241 HydrophobicContact CD1-CD2 4.17Å; I213-L241 HydrophobicContact CG1-CD2 4.46Å; I213-N242 PolarHBondContact O-N 3.43Å; I213-F243 HydrophobicContact CG2-CE1 3.83Å; I213-F243 HydrophobicContact CG2-CZ 3.83Å
214H98.8Very high98Very high42 Ų4231.4 Ų31.419%0.19418%0.18CC..EExtended strand (participates in β ladder)trans-124.1104.3175.3-61.5-100.8000109.7F185 V186 A187 E212 N242F185-H214 PolarHBondContact O-N 2.98Å; V186-H214 CarbonylContact C-O 3.55Å; V186-H214 WeakPolarHBondContact CA-O 3.34Å; V186-H214 HydrophobicContact CB-CB 4.29Å; V186-H214 HydrophobicContact CG1-CB 3.95Å; V186-H214 HydrophobicContact CG2-CB 4.09Å; A187-H214 PolarHBondContact N-O 3.38Å; E212-H214 IonicContact OE2-NE2 2.6Å; H214-N242 HydrophobicContact CB-CB 4.48Å
215M98.7Very high98Very high0 Ų031.5 Ų31.50%018%0.181CC..  trans-131.347177.2-61174.864.500112.2F185 L192 L200 F204 I213 N218 I220 L228 N242 F243 N246F185-M215 HydrophobicContact CD1-CG 4.23Å; F185-M215 HydrophobicContact CD1-SD 4.29Å; F185-M215 HydrophobicContact CE1-CG 4.08Å; F185-M215 HydrophobicContact CE1-SD 4.02Å; L192-M215 HydrophobicContact CD1-CE 3.48Å; L192-M215 VanDerWaalsContact CD1-CE 3.48Å; L200-M215 HydrophobicContact CD1-CE 3.73Å; F204-M215 HydrophobicContact CE2-SD 3.9Å; F204-M215 HydrophobicContact CZ-SD 4.2Å; I213-M215 HydrophobicContact CG2-CG 3.9Å; I213-M215 HydrophobicContact CG2-SD 3.87Å; M215-N218 VanDerWaalsContact C-ND2 3.3Å; M215-N218 PolarHBondContact O-ND2 3.08Å; M215-I220 HydrophobicContact CE-CD1 4.07Å; M215-L228 HydrophobicContact CE-CD2 4.49Å; M215-L228 HydrophobicContact SD-CD2 4.24Å; M215-N242 PolarHBondContact N-O 2.93Å; M215-F243 HydrophobicContact CB-CD1 3.88Å; M215-F243 HydrophobicContact CB-CE1 3.88Å; M215-F243 HydrophobicContact CG-CE1 4.22Å; M215-F243 HydrophobicContact SD-CE1 4Å; M215-N246 PolarHBondContact O-ND2 3.05Å
216P98.6Very high98Very high20 Ų2031.6 Ų31.613%0.1318%0.182CC..  trans-67.5156.4179.331.8-37.4000111.9G188 R189 N218 N244G188-P216 CarbonylContact C-O 3.59Å; G188-P216 WeakPolarHBondContact CA-O 2.95Å; R189-P216 PolarHBondContact N-O 3.33Å; P216-N218 PolarHBondContact O-N 3.49Å; P216-N218 PolarHBondContact O-ND2 3.48Å; P216-N244 CarbonylContact C-O 3.49Å; P216-N244 WeakPolarHBondContact CA-O 3.39Å; P216-N244 HydrophobicContact CB-CB 4.2Å; P216-N244 VanDerWaalsContact CB-O 3.22Å; P216-N244 WeakPolarHBondContact CB-O 3.43Å
217Q98.2Very high98.1Very high77 Ų7728.5 Ų28.536%0.3617%0.17SC..SBendtrans57.448.1169.6-63.1-169.4-13.400114.1R189 N244 D245R189-Q217 VanDerWaalsContact CA-O 3.22Å; R189-Q217 WeakPolarHBondContact CA-O 3.18Å; R189-Q217 VanDerWaalsContact CD-OE1 3.31Å; R189-Q217 HydrophobicContact CG-CB 3.65Å; R189-Q217 HydrophobicContact CG-CG 4.35Å; R189-Q217 PolarHBondContact N-O 2.84Å; Q217-N244 PolarHBondContact N-O 3.19Å; Q217-D245 WeakPolarHBondContact CA-O 3.15Å; Q217-D245 HydrophobicContact CG-CB 3.55Å; Q217-D245 WeakPolarHBondContact CG-OD2 3.22Å; Q217-D245 PolarHBondContact N-O 2.96Å; Q217-D245 VanDerWaalsContact N-O 3.12Å; Q217-D245 PolarHBondContact NE2-OD2 3.36Å
218N98.6Very high98.2Very high1 Ų127.9 Ų27.91%0.00517%0.167CC..SBendtrans-110.6-0.6-179-85-56000114.4A187 N190 R191 L192 E193 M215 P216 I220 N246A187-N218 PolarHBondContact O-ND2 3.14Å; A187-N218 PolarHBondContact O-OD1 3.06Å; N190-N218 WeakPolarHBondContact CA-OD1 3.29Å; N190-N218 WeakPolarHBondContact CB-OD1 3.4Å; N190-N218 PolarHBondContact N-OD1 3.37Å; R191-N218 CarbonylContact C-O 3.51Å; R191-N218 WeakPolarHBondContact CA-O 3.43Å; R191-N218 PolarHBondContact N-OD1 3.47Å; L192-N218 HydrophobicContact CB-CB 4.18Å; L192-N218 HydrophobicContact CD1-CB 4.5Å; L192-N218 HydrophobicContact CG-CB 4.49Å; L192-N218 WeakPolarHBondContact CG-OD1 3.26Å; L192-N218 PolarHBondContact N-O 3.38Å; E193-N218 PolarHBondContact N-O 3.24Å; M215-N218 VanDerWaalsContact C-ND2 3.3Å; M215-N218 PolarHBondContact O-ND2 3.08Å; P216-N218 PolarHBondContact O-N 3.49Å; P216-N218 PolarHBondContact O-ND2 3.48Å; N218-I220 HydrophobicContact CB-CD1 3.62Å; N218-I220 HydrophobicContact CB-CG1 3.59Å; N218-I220 PolarHBondContact O-N 3.42Å; N218-N246 PolarHBondContact N-OD1 2.81Å; N218-N246 VanDerWaalsContact N-OD1 3.1Å
219G98Very high98.3Very high50 Ų5026.7 Ų26.752%0.51515%0.154SC..  trans62.529.5-174.900000112.1N246G219-N246 PolarHBondContact N-OD1 3.01Å
220I98.6Very high98.3Very high1 Ų129.1 Ų29.11%0.00517%0.171CC..  trans-80.5124.1177.7-54.1168.5000106.9A197 M215 N218 V225 L228 N246 T247A197-I220 HydrophobicContact CB-CD1 3.75Å; A197-I220 HydrophobicContact CB-CG1 3.95Å; A197-I220 HydrophobicContact CB-CG2 3.87Å; M215-I220 HydrophobicContact CE-CD1 4.07Å; N218-I220 HydrophobicContact CB-CD1 3.62Å; N218-I220 HydrophobicContact CB-CG1 3.59Å; N218-I220 PolarHBondContact O-N 3.42Å; I220-V225 HydrophobicContact CG2-CG2 4.02Å; I220-L228 HydrophobicContact CD1-CD1 4.1Å; I220-L228 HydrophobicContact CG2-CD1 4.48Å; I220-N246 HydrophobicContact CB-CB 4.28Å; I220-N246 WeakPolarHBondContact CB-OD1 3.24Å; I220-N246 WeakPolarHBondContact CG1-OD1 3.49Å; I220-N246 PolarHBondContact N-OD1 2.63Å; I220-N246 CarbonylContact O-C 3.39Å; I220-N246 WeakPolarHBondContact O-CB 3.47Å; I220-T247 PolarHBondContact O-N 2.72Å
221N97.6Very high98.2Very high55 Ų5529.1 Ų29.129%0.29417%0.171SC..BIsolated β-bridgetrans-97.2-175.5174.781.820.3000111.7N194 A223 G224 V225 T247N194-N221 PolarHBondContact ND2-ND2 3.48Å; N194-N221 PolarHBondContact ND2-OD1 2.97Å; N194-N221 VanDerWaalsContact OD1-CG 3.27Å; N194-N221 PolarHBondContact OD1-N 3.41Å; N194-N221 PolarHBondContact OD1-OD1 3.01Å; N221-A223 PolarHBondContact O-N 3.24Å; N221-A223 WeakPolarHBondContact OD1-CB 3.37Å; N221-A223 PolarHBondContact OD1-N 3.48Å; N221-G224 PolarHBondContact O-N 3.08Å; N221-V225 WeakPolarHBondContact O-CG2 3.25Å; N221-V225 PolarHBondContact O-N 2.91Å; N221-T247 CarbonylContact C-O 3.57Å; N221-T247 WeakPolarHBondContact CA-O 3.31Å
222Y96.3Very high98.1Very high60 Ų6027 Ų2724%0.23516%0.161CC..Hα-helixtrans-50.6-34.9-175.474.6-98.5000113.7V225 M226 T247 F248 R251Y222-V225 PolarHBondContact O-N 3.28Å; Y222-M226 HydrophobicContact CD2-SD 4.22Å; Y222-M226 WeakPolarHBondContact O-CB 3.49Å; Y222-M226 WeakPolarHBondContact O-CG 3.36Å; Y222-M226 PolarHBondContact O-N 3.49Å; Y222-T247 PolarHBondContact N-O 2.97Å; Y222-F248 WeakPolarHBondContact CB-O 3.28Å; Y222-R251 HydrophobicContact CD2-CB 4.25Å; Y222-R251 HydrophobicContact CG-CB 4.32Å; Y222-R251 PolarHBondContact OH-NH1 3.13Å
223A97.5Very high97.9Very high43 Ų4332.2 Ų32.236%0.35518%0.179SC..Hα-helixtrans-67.4-45.9-179.100000111.8N221 M226 A227N221-A223 PolarHBondContact O-N 3.24Å; N221-A223 WeakPolarHBondContact OD1-CB 3.37Å; N221-A223 PolarHBondContact OD1-N 3.48Å; A223-M226 PolarHBondContact O-N 3.4Å; A223-A227 PolarHBondContact O-N 3.47Å
224G98.4Very high97.9Very high0 Ų035.4 Ų35.40%019%0.194CC..Hα-helixtrans-67.8-36.3174.700000112.6N194 N221 A227 L228N194-G224 PolarHBondContact OD1-N 3.13Å; N221-G224 PolarHBondContact O-N 3.08Å; G224-A227 WeakPolarHBondContact O-CB 3.22Å; G224-A227 PolarHBondContact O-N 3.05Å; G224-L228 WeakPolarHBondContact O-CG 3.27Å; G224-L228 PolarHBondContact O-N 2.88Å
225V98.5Very high97.8Very high2 Ų233.4 Ų33.41%0.01219%0.185CC..Hα-helixtrans-63-41.4175.1174.30000111.3I220 N221 Y222 A227 L228 A229 F248 M256I220-V225 HydrophobicContact CG2-CG2 4.02Å; N221-V225 WeakPolarHBondContact O-CG2 3.25Å; N221-V225 PolarHBondContact O-N 2.91Å; Y222-V225 PolarHBondContact O-N 3.28Å; V225-A227 VanDerWaalsContact C-N 3.32Å; V225-A227 PolarHBondContact O-N 2.72Å; V225-L228 PolarHBondContact O-N 3.41Å; V225-A229 WeakPolarHBondContact O-CB 3.49Å; V225-A229 PolarHBondContact O-N 3Å; V225-F248 HydrophobicContact CB-CD1 4.31Å; V225-F248 HydrophobicContact CB-CE1 4.35Å; V225-F248 HydrophobicContact CG1-CD1 3.98Å; V225-F248 HydrophobicContact CG1-CD2 3.77Å; V225-F248 HydrophobicContact CG1-CE1 3.91Å; V225-F248 HydrophobicContact CG1-CE2 3.71Å; V225-F248 HydrophobicContact CG1-CG 3.89Å; V225-F248 HydrophobicContact CG1-CZ 3.76Å; V225-F248 HydrophobicContact CG2-CD1 3.38Å; V225-F248 HydrophobicContact CG2-CE1 3.43Å; V225-F248 VanDerWaalsContact CG2-CE1 3.43Å; V225-F248 HydrophobicContact CG2-CG 4.02Å; V225-F248 HydrophobicContact CG2-CZ 4.12Å; V225-M256 HydrophobicContact CG1-CE 4.04Å
226M98.4Very high97.7Very high84 Ų8436.7 Ų36.741%0.41421%0.206SC..Hα-helixtrans-60.9-41174.9-75.4176.667.400112Y222 A223 A229 S230 A255Y222-M226 HydrophobicContact CD2-SD 4.22Å; Y222-M226 WeakPolarHBondContact O-CB 3.49Å; Y222-M226 WeakPolarHBondContact O-CG 3.36Å; Y222-M226 PolarHBondContact O-N 3.49Å; A223-M226 PolarHBondContact O-N 3.4Å; M226-A229 PolarHBondContact O-N 2.72Å; M226-S230 PolarHBondContact O-N 3.37Å; M226-A255 HydrophobicContact CB-CB 4.44Å; M226-A255 HydrophobicContact CG-CB 3.75Å
227A98.6Very high97.7Very high26 Ų2640.5 Ų40.522%0.21522%0.222CC..Hα-helixtrans-62.2-45.5174.400000111.4S198 A201 A223 G224 V225 A229 S230 A231S198-A227 WeakPolarHBondContact OG-CB 3.17Å; A201-A227 HydrophobicContact CB-CB 4.12Å; A201-A227 WeakPolarHBondContact CB-O 3.47Å; A223-A227 PolarHBondContact O-N 3.47Å; G224-A227 WeakPolarHBondContact O-CB 3.22Å; G224-A227 PolarHBondContact O-N 3.05Å; V225-A227 VanDerWaalsContact C-N 3.32Å; V225-A227 PolarHBondContact O-N 2.72Å; A227-A229 PolarHBondContact O-N 3.43Å; A227-S230 WeakPolarHBondContact O-CB 3.46Å; A227-S230 PolarHBondContact O-N 3.36Å; A227-A231 PolarHBondContact O-N 3.37Å
228L98.6Very high97.7Very high2 Ų236.9 Ų36.91%0.0121%0.205CC..Hα-helixtrans-61.7-42.3175.8-71.2169.2000112.3A197 A201 F204 M215 I220 G224 V225 S230 A231 I232 F243A197-L228 HydrophobicContact CB-CD1 4.14Å; A197-L228 HydrophobicContact CB-CG 4.34Å; A201-L228 HydrophobicContact CB-CD2 4.27Å; F204-L228 HydrophobicContact CD2-CD2 4.2Å; F204-L228 HydrophobicContact CE2-CD2 4.06Å; M215-L228 HydrophobicContact CE-CD2 4.49Å; M215-L228 HydrophobicContact SD-CD2 4.24Å; I220-L228 HydrophobicContact CD1-CD1 4.1Å; I220-L228 HydrophobicContact CG2-CD1 4.48Å; G224-L228 WeakPolarHBondContact O-CG 3.27Å; G224-L228 PolarHBondContact O-N 2.88Å; V225-L228 PolarHBondContact O-N 3.41Å; L228-S230 VanDerWaalsContact C-N 3.3Å; L228-S230 PolarHBondContact O-N 2.93Å; L228-A231 WeakPolarHBondContact O-CB 3.01Å; L228-A231 PolarHBondContact O-N 3.11Å; L228-I232 WeakPolarHBondContact O-CB 3.28Å; L228-I232 VanDerWaalsContact O-CG1 3.31Å; L228-I232 WeakPolarHBondContact O-CG1 3.4Å; L228-I232 PolarHBondContact O-N 3.36Å; L228-F243 HydrophobicContact CD1-CD1 4.34Å; L228-F243 HydrophobicContact CD1-CE1 3.83Å; L228-F243 HydrophobicContact CD1-CZ 4.19Å
229A98.2Very high97.7Very high4 Ų440.8 Ų40.83%0.03322%0.22CC..Hα-helixtrans-59.4-41176.200000111.7V225 M226 A227 A231 I232 A255 M256 A259V225-A229 WeakPolarHBondContact O-CB 3.49Å; V225-A229 PolarHBondContact O-N 3Å; M226-A229 PolarHBondContact O-N 2.72Å; A227-A229 PolarHBondContact O-N 3.43Å; A229-A231 VanDerWaalsContact C-N 3.28Å; A229-A231 PolarHBondContact O-N 3.41Å; A229-I232 PolarHBondContact O-N 3.5Å; A229-A255 HydrophobicContact CB-CB 4.15Å; A229-M256 HydrophobicContact CB-CE 4.21Å; A229-M256 HydrophobicContact CB-SD 4.28Å; A229-A259 HydrophobicContact CB-CB 4.12Å; A229-A259 VanDerWaalsContact O-CB 3.26Å; A229-A259 WeakPolarHBondContact O-CB 3.15Å
230S96.9Very high97.8Very high58 Ų5839 Ų3941%0.40620%0.199SC..Hα-helixtrans-62.7-33.1174.4-1720000112.8M226 A227 L228 R233 H234M226-S230 PolarHBondContact O-N 3.37Å; A227-S230 WeakPolarHBondContact O-CB 3.46Å; A227-S230 PolarHBondContact O-N 3.36Å; L228-S230 VanDerWaalsContact C-N 3.3Å; L228-S230 PolarHBondContact O-N 2.93Å; S230-R233 VanDerWaalsContact O-CG 3.25Å; S230-R233 WeakPolarHBondContact O-CG 3.39Å; S230-H234 PolarHBondContact O-CE1 3.17Å; S230-H234 PolarHBondContact O-ND1 3.28Å
231A97.8Very high97.8Very high1 Ų139 Ų391%0.00820%0.199CC..Hα-helixtrans-78.4-41.6176.700000113.1A201 F204 Q205 A227 L228 A229 R233 H234 N235A201-A231 HydrophobicContact CB-CB 3.89Å; A201-A231 WeakPolarHBondContact O-CB 3.28Å; F204-A231 HydrophobicContact CB-CB 3.98Å; Q205-A231 HydrophobicContact CB-CB 4.16Å; A227-A231 PolarHBondContact O-N 3.37Å; L228-A231 WeakPolarHBondContact O-CB 3.01Å; L228-A231 PolarHBondContact O-N 3.11Å; A229-A231 VanDerWaalsContact C-N 3.28Å; A229-A231 PolarHBondContact O-N 3.41Å; A231-R233 VanDerWaalsContact C-N 3.3Å; A231-R233 PolarHBondContact O-N 3.24Å; A231-H234 WeakPolarHBondContact O-CB 3.44Å; A231-H234 PolarHBondContact O-N 2.94Å; A231-N235 PolarHBondContact O-ND2 3.41Å; A231-N235 VanDerWaalsContact O-ND2 3.11Å
232I96.4Very high97.8Very high1 Ų137.7 Ų37.71%0.00519%0.192CC..Hα-helixtrans-59.1-37.5-174.6-81164.5000112.6I213 L228 A229 H234 N235 L238 L241 F243 M256 A259 L263I213-I232 HydrophobicContact CD1-CG1 4.1Å; L228-I232 WeakPolarHBondContact O-CB 3.28Å; L228-I232 VanDerWaalsContact O-CG1 3.31Å; L228-I232 WeakPolarHBondContact O-CG1 3.4Å; L228-I232 PolarHBondContact O-N 3.36Å; A229-I232 PolarHBondContact O-N 3.5Å; I232-H234 PolarHBondContact O-N 2.77Å; I232-N235 PolarHBondContact O-N 3.02Å; I232-L238 HydrophobicContact CB-CD1 4.13Å; I232-L238 HydrophobicContact CG1-CD1 4.11Å; I232-L238 HydrophobicContact CG2-CD1 3.63Å; I232-L241 HydrophobicContact CD1-CD1 4.38Å; I232-L241 HydrophobicContact CD1-CD2 3.82Å; I232-L241 HydrophobicContact CG1-CD2 4.2Å; I232-L241 HydrophobicContact CG2-CD1 4.21Å; I232-F243 HydrophobicContact CD1-CE2 3.58Å; I232-F243 HydrophobicContact CD1-CZ 3.77Å; I232-M256 HydrophobicContact CD1-CE 3.86Å; I232-M256 HydrophobicContact CD1-SD 3.81Å; I232-A259 HydrophobicContact CG2-CB 4.46Å; I232-L263 HydrophobicContact CG2-CD1 3.44Å; I232-L263 VanDerWaalsContact CG2-CD1 3.44Å
233R95.4Very high98Very high149 Ų14934.8 Ų34.856%0.56218%0.181SC*.THydrogen-bonded Turntrans-59.1-17.8176.471.4-171.6-66.1-137.1-2.1114.6S230 A231 A259S230-R233 VanDerWaalsContact O-CG 3.25Å; S230-R233 WeakPolarHBondContact O-CG 3.39Å; A231-R233 VanDerWaalsContact C-N 3.3Å; A231-R233 PolarHBondContact O-N 3.24Å; R233-A259 HydrophobicContact CB-CB 4.44Å
234H97Very high98Very high68 Ų6834.7 Ų34.732%0.31517%0.174SC..THydrogen-bonded Turntrans-90-0.1178.1-59.283.7000113Q205 G208 S230 A231 I232 P236Q205-H234 HydrophobicContact CG-CB 4.49Å; Q205-H234 PolarHBondContact NE2-CE1 3.24Å; Q205-H234 PolarHBondContact NE2-NE2 3.04Å; G208-H234 WeakPolarHBondContact CA-O 3.48Å; S230-H234 PolarHBondContact O-CE1 3.17Å; S230-H234 PolarHBondContact O-ND1 3.28Å; A231-H234 WeakPolarHBondContact O-CB 3.44Å; A231-H234 PolarHBondContact O-N 2.94Å; I232-H234 PolarHBondContact O-N 2.77Å; H234-P236 VanDerWaalsContact O-CD 3.26Å; H234-P236 WeakPolarHBondContact O-CD 3.37Å
235N98.1Very high98Very high0 Ų037.4 Ų37.40%019%0.189CC..  trans-116.578.2-177.8-67.3-90.4000109.5F204 G208 S209 L210 A231 I232 E237 L238 L263F204-N235 PolarHBondContact O-ND2 2.95Å; F204-N235 VanDerWaalsContact O-ND2 3.08Å; G208-N235 VanDerWaalsContact CA-OD1 3.22Å; G208-N235 WeakPolarHBondContact CA-OD1 3.3Å; S209-N235 PolarHBondContact N-OD1 2.96Å; L210-N235 HydrophobicContact CB-CB 4.24Å; L210-N235 WeakPolarHBondContact CB-OD1 3.35Å; L210-N235 PolarHBondContact N-OD1 2.97Å; A231-N235 PolarHBondContact O-ND2 3.41Å; A231-N235 VanDerWaalsContact O-ND2 3.11Å; I232-N235 PolarHBondContact O-N 3.02Å; N235-E237 PolarHBondContact O-N 3.32Å; N235-L238 HydrophobicContact CB-CD1 3.63Å; N235-L238 HydrophobicContact CB-CG 3.69Å; N235-L238 WeakPolarHBondContact O-CB 3.35Å; N235-L238 VanDerWaalsContact O-CG 3.31Å; N235-L238 WeakPolarHBondContact O-CG 3.31Å; N235-L238 PolarHBondContact O-N 2.94Å; N235-L238 VanDerWaalsContact O-N 3.17Å; N235-L263 WeakPolarHBondContact O-CD2 3.4Å
236P97.1Very high98Very high69 Ų6937.5 Ų37.545%0.44819%0.189SC..THydrogen-bonded Turntrans-67-19.4-171.627.7-36.1000114.2H234 L238H234-P236 VanDerWaalsContact O-CD 3.26Å; H234-P236 WeakPolarHBondContact O-CD 3.37Å; P236-L238 VanDerWaalsContact C-N 3.29Å
237E97.9Very high97.9Very high100 Ų10036.4 Ų36.447%0.46719%0.187SC..THydrogen-bonded Turntrans-86.14.2178.4-58.2-54.4140.700113.5E211 N235 R239 N265E211-E237 HydrophobicContact CG-CB 4.12Å; N235-E237 PolarHBondContact O-N 3.32Å; E237-R239 PolarHBondContact O-N 3.39Å; E237-N265 PolarHBondContact OE2-ND2 3.36Å
238L98.7Very high97.8Very high0 Ų035.2 Ų35.20%018%0.177CC..  trans-57.8130.7177.5-81.1170000111.7L210 I213 I232 N235 P236 L241 L263 N265 I266L210-L238 HydrophobicContact CB-CD2 3.93Å; L210-L238 WeakPolarHBondContact O-CG 3.44Å; L210-L238 PolarHBondContact O-N 3.17Å; I213-L238 HydrophobicContact CD1-CD1 4.49Å; I213-L238 HydrophobicContact CD1-CD2 3.97Å; I213-L238 HydrophobicContact CG1-CD2 3.96Å; I232-L238 HydrophobicContact CB-CD1 4.13Å; I232-L238 HydrophobicContact CG1-CD1 4.11Å; I232-L238 HydrophobicContact CG2-CD1 3.63Å; N235-L238 HydrophobicContact CB-CD1 3.63Å; N235-L238 HydrophobicContact CB-CG 3.69Å; N235-L238 WeakPolarHBondContact O-CB 3.35Å; N235-L238 VanDerWaalsContact O-CG 3.31Å; N235-L238 WeakPolarHBondContact O-CG 3.31Å; N235-L238 PolarHBondContact O-N 2.94Å; N235-L238 VanDerWaalsContact O-N 3.17Å; P236-L238 VanDerWaalsContact C-N 3.29Å; L238-L241 HydrophobicContact CD1-CD2 4.15Å; L238-L241 HydrophobicContact CD2-CD2 4.21Å; L238-L263 HydrophobicContact CD1-CD1 4.16Å; L238-N265 CarbonylContact O-C 3.19Å; L238-I266 HydrophobicContact CB-CD1 3.71Å; L238-I266 WeakPolarHBondContact O-CD1 3.33Å; L238-I266 PolarHBondContact O-N 2.8Å
239R98.7Very high97.5Very high83 Ų8336.2 Ų36.231%0.31318%0.183SC..  trans-118.2-37.1179.4-71163.719.21087.9111.7E211 E212 E237 N265 Q267 V268E211-R239 PolarHBondContact O-N 2.99Å; E212-R239 IonicContact OE1-CZ 3.78Å; E212-R239 IonicContact OE1-NE 3.23Å; E212-R239 IonicContact OE1-NH2 3.37Å; E212-R239 PolarHBondContact OE1-NH2 2.96Å; E237-R239 PolarHBondContact O-N 3.39Å; R239-N265 WeakPolarHBondContact CA-O 3.4Å; R239-Q267 PolarHBondContact O-N 3.03Å; R239-V268 PolarHBondContact O-N 3.27Å
240V98.9Very high97.1Very high14 Ų1438.9 Ų38.99%0.08519%0.194CC..EExtended strand (participates in β ladder)trans-128.8125.3-174.6-177.60000110.5E211 E212 I213 V268E211-V240 PolarHBondContact O-N 3.26Å; E211-V240 VanDerWaalsContact O-N 3.14Å; E212-V240 HydrophobicContact CB-CB 4.03Å; E212-V240 HydrophobicContact CG-CB 3.88Å; E212-V240 HydrophobicContact CG-CG2 3.88Å; I213-V240 PolarHBondContact N-O 3.26Å; V240-V268 HydrophobicContact CB-CB 4.46Å; V240-V268 HydrophobicContact CG1-CB 4.1Å; V240-V268 HydrophobicContact CG1-CG1 4.25Å; V240-V268 HydrophobicContact CG2-CB 4.18Å; V240-V268 HydrophobicContact CG2-CG2 4.35Å
241L98.7Very high96.9Very high0 Ų041.2 Ų41.20%019%0.194CC..EExtended strand (participates in β ladder)trans-123.6112170.2-68.9176.2000109.1I213 I232 L238 F243 L260 I266 V268 N270 F271I213-L241 HydrophobicContact CB-CD2 4.16Å; I213-L241 HydrophobicContact CD1-CD2 4.17Å; I213-L241 HydrophobicContact CG1-CD2 4.46Å; I232-L241 HydrophobicContact CD1-CD1 4.38Å; I232-L241 HydrophobicContact CD1-CD2 3.82Å; I232-L241 HydrophobicContact CG1-CD2 4.2Å; I232-L241 HydrophobicContact CG2-CD1 4.21Å; L238-L241 HydrophobicContact CD1-CD2 4.15Å; L238-L241 HydrophobicContact CD2-CD2 4.21Å; L241-F243 HydrophobicContact CB-CE2 4.46Å; L241-F243 HydrophobicContact CD2-CE2 4.05Å; L241-F243 HydrophobicContact CD2-CZ 4.4Å; L241-L260 HydrophobicContact CD1-CD2 3.77Å; L241-I266 HydrophobicContact CD1-CD1 3.99Å; L241-I266 HydrophobicContact CG-CD1 4.16Å; L241-V268 PolarHBondContact N-O 3.06Å; L241-N270 PolarHBondContact O-N 3.24Å; L241-F271 HydrophobicContact CB-CE1 4.31Å
242N98.8Very high96.9Very high27 Ų2741.2 Ų41.214%0.14419%0.194CC..EExtended strand (participates in β ladder)trans-121106.8173.8-178.1-1.5000110.2I213 H214 M215 N244 N270I213-N242 PolarHBondContact O-N 3.43Å; H214-N242 HydrophobicContact CB-CB 4.48Å; M215-N242 PolarHBondContact N-O 2.93Å; N242-N244 WeakPolarHBondContact OD1-CB 3.43Å; N242-N244 PolarHBondContact OD1-N 3.4Å; N242-N244 VanDerWaalsContact OD1-N 3.16Å; N242-N270 HydrophobicContact CB-CB 4.19Å; N242-N270 PolarHBondContact OD1-ND2 2.95Å
243F98.6Very high96.9Very high0 Ų041.1 Ų41.10%019%0.193CC..  trans-121.320.5175-64.5-58.9000112.2I213 M215 L228 I232 L241 N246 F248 M256 N270 F271 C274I213-F243 HydrophobicContact CG2-CE1 3.83Å; I213-F243 HydrophobicContact CG2-CZ 3.83Å; M215-F243 HydrophobicContact CB-CD1 3.88Å; M215-F243 HydrophobicContact CB-CE1 3.88Å; M215-F243 HydrophobicContact CG-CE1 4.22Å; M215-F243 HydrophobicContact SD-CE1 4Å; L228-F243 HydrophobicContact CD1-CD1 4.34Å; L228-F243 HydrophobicContact CD1-CE1 3.83Å; L228-F243 HydrophobicContact CD1-CZ 4.19Å; I232-F243 HydrophobicContact CD1-CE2 3.58Å; I232-F243 HydrophobicContact CD1-CZ 3.77Å; L241-F243 HydrophobicContact CB-CE2 4.46Å; L241-F243 HydrophobicContact CD2-CE2 4.05Å; L241-F243 HydrophobicContact CD2-CZ 4.4Å; F243-N246 WeakPolarHBondContact O-CB 3.42Å; F243-N246 PolarHBondContact O-ND2 3.39Å; F243-F248 HydrophobicContact CB-CE1 3.7Å; F243-F248 HydrophobicContact CB-CZ 3.61Å; F243-F248 AromaticContact CD2-CZ 3.9Å; F243-F248 HydrophobicContact CD2-CZ 3.9Å; F243-F248 HydrophobicContact CG-CE1 4.39Å; F243-F248 HydrophobicContact CG-CZ 4.04Å; F243-M256 HydrophobicContact CD2-CE 4.01Å; F243-M256 HydrophobicContact CE2-CE 3.79Å; F243-N270 PolarHBondContact N-O 3.45Å; F243-F271 HydrophobicContact CB-CD1 4.27Å; F243-F271 HydrophobicContact CD2-CD1 4.34Å; F243-F271 AromaticContact CD2-CE1 3.8Å; F243-F271 HydrophobicContact CD2-CE1 3.8Å; F243-C274 PolarHBondContact O-SG 2.99Å
244N98.3Very high96.9Very high40 Ų4038.1 Ų38.121%0.21419%0.188CC..  trans-46.6141.2-179.6164.3-114.9000112.6P216 Q217 N242 N270 G272P216-N244 CarbonylContact C-O 3.49Å; P216-N244 WeakPolarHBondContact CA-O 3.39Å; P216-N244 HydrophobicContact CB-CB 4.2Å; P216-N244 VanDerWaalsContact CB-O 3.22Å; P216-N244 WeakPolarHBondContact CB-O 3.43Å; Q217-N244 PolarHBondContact N-O 3.19Å; N242-N244 WeakPolarHBondContact OD1-CB 3.43Å; N242-N244 PolarHBondContact OD1-N 3.4Å; N242-N244 VanDerWaalsContact OD1-N 3.16Å; N244-N270 PolarHBondContact N-O 3.48Å; N244-G272 CarbonylContact C-O 3.35Å; N244-G272 WeakPolarHBondContact CA-O 3.43Å; N244-G272 PolarHBondContact ND2-O 3.4Å
245D97.9Very high97Very high58 Ų5836.1 Ų36.131%0.3118%0.184SC..SBendtrans60.758.1177.7-166.3-7.9000111.2Q217 G272 D273Q217-D245 WeakPolarHBondContact CA-O 3.15Å; Q217-D245 HydrophobicContact CG-CB 3.55Å; Q217-D245 WeakPolarHBondContact CG-OD2 3.22Å; Q217-D245 PolarHBondContact N-O 2.96Å; Q217-D245 VanDerWaalsContact N-O 3.12Å; Q217-D245 PolarHBondContact NE2-OD2 3.36Å; D245-G272 PolarHBondContact N-O 3.38Å; D245-D273 WeakPolarHBondContact CA-O 3.26Å; D245-D273 HydrophobicContact CB-CB 4.2Å; D245-D273 PolarHBondContact N-O 3.12Å
246N98.6Very high96.9Very high4 Ų436.1 Ų36.12%0.02118%0.184CC..SBendtrans-147.8141.7171.9-74.1-69.1000108.5M215 N218 G219 I220 F243 F248 D273 C274M215-N246 PolarHBondContact O-ND2 3.05Å; N218-N246 PolarHBondContact N-OD1 2.81Å; N218-N246 VanDerWaalsContact N-OD1 3.1Å; G219-N246 PolarHBondContact N-OD1 3.01Å; I220-N246 HydrophobicContact CB-CB 4.28Å; I220-N246 WeakPolarHBondContact CB-OD1 3.24Å; I220-N246 WeakPolarHBondContact CG1-OD1 3.49Å; I220-N246 PolarHBondContact N-OD1 2.63Å; I220-N246 CarbonylContact O-C 3.39Å; I220-N246 WeakPolarHBondContact O-CB 3.47Å; F243-N246 WeakPolarHBondContact O-CB 3.42Å; F243-N246 PolarHBondContact O-ND2 3.39Å; N246-F248 HydrophobicContact CB-CD1 4.4Å; N246-F248 HydrophobicContact CB-CE1 4.28Å; N246-F248 PolarHBondContact O-N 3.4Å; N246-D273 PolarHBondContact N-O 3.08Å; N246-C274 CarbonylContact O-C 3.16Å; N246-C274 WeakPolarHBondContact O-CA 3.44Å; N246-C274 VanDerWaalsContact O-CB 3.27Å; N246-C274 WeakPolarHBondContact O-CB 3.27Å; N246-C274 PolarHBondContact O-SG 2.6Å; N246-C274 VanDerWaalsContact O-SG 3.38Å
247T97.5Very high96.9Very high61 Ų6133 Ų3337%0.37416%0.164SC..BIsolated β-bridgetrans-8384.5-169.1-43.60000112.7I220 N221 Y222 T249 L275I220-T247 PolarHBondContact O-N 2.72Å; N221-T247 CarbonylContact C-O 3.57Å; N221-T247 WeakPolarHBondContact CA-O 3.31Å; Y222-T247 PolarHBondContact N-O 2.97Å; T247-T249 HydrophobicContact CG2-CG2 3.94Å; T247-L275 HydrophobicContact CG2-CD1 3.86Å
248F96.6Very high96.8Very high1 Ų133 Ų330%0.00416%0.164CC..  trans-68.6-41.3179.6-81.335.7000112.2Y222 V225 F243 N246 G252 M256 F271 C274Y222-F248 WeakPolarHBondContact CB-O 3.28Å; V225-F248 HydrophobicContact CB-CD1 4.31Å; V225-F248 HydrophobicContact CB-CE1 4.35Å; V225-F248 HydrophobicContact CG1-CD1 3.98Å; V225-F248 HydrophobicContact CG1-CD2 3.77Å; V225-F248 HydrophobicContact CG1-CE1 3.91Å; V225-F248 HydrophobicContact CG1-CE2 3.71Å; V225-F248 HydrophobicContact CG1-CG 3.89Å; V225-F248 HydrophobicContact CG1-CZ 3.76Å; V225-F248 HydrophobicContact CG2-CD1 3.38Å; V225-F248 HydrophobicContact CG2-CE1 3.43Å; V225-F248 VanDerWaalsContact CG2-CE1 3.43Å; V225-F248 HydrophobicContact CG2-CG 4.02Å; V225-F248 HydrophobicContact CG2-CZ 4.12Å; F243-F248 HydrophobicContact CB-CE1 3.7Å; F243-F248 HydrophobicContact CB-CZ 3.61Å; F243-F248 AromaticContact CD2-CZ 3.9Å; F243-F248 HydrophobicContact CD2-CZ 3.9Å; F243-F248 HydrophobicContact CG-CE1 4.39Å; F243-F248 HydrophobicContact CG-CZ 4.04Å; N246-F248 HydrophobicContact CB-CD1 4.4Å; N246-F248 HydrophobicContact CB-CE1 4.28Å; N246-F248 PolarHBondContact O-N 3.4Å; F248-G252 WeakPolarHBondContact O-CA 3.47Å; F248-G252 PolarHBondContact O-N 3.33Å; F248-M256 HydrophobicContact CE2-CB 4.21Å; F248-M256 HydrophobicContact CE2-CE 4.15Å; F248-M256 HydrophobicContact CE2-CG 4.21Å; F248-M256 HydrophobicContact CZ-CE 4.16Å; F248-F271 AromaticContact CE2-CD1 3.97Å; F248-F271 HydrophobicContact CE2-CD1 3.97Å; F248-F271 HydrophobicContact CE2-CD2 4.21Å; F248-F271 HydrophobicContact CE2-CE1 4.19Å; F248-F271 HydrophobicContact CE2-CE2 4.36Å; F248-F271 HydrophobicContact CE2-CG 4.02Å; F248-F271 HydrophobicContact CE2-CZ 4.36Å; F248-F271 AromaticContact CZ-CD1 3.95Å; F248-F271 HydrophobicContact CZ-CD1 3.95Å; F248-F271 HydrophobicContact CZ-CE1 4.22Å; F248-F271 HydrophobicContact CZ-CG 4.38Å; F248-C274 HydrophobicContact CB-CB 4.21Å; F248-C274 WeakPolarHBondContact CB-O 3.46Å; F248-C274 HydrophobicContact CD1-CB 3.85Å; F248-C274 HydrophobicContact CE1-CB 4.45Å; F248-C274 HydrophobicContact CG-CB 3.98Å; F248-C274 PolarHBondContact N-O 2.98Å
249T91.4Very high96.7Very high22 Ų2233.3 Ų33.314%0.13517%0.166CC..Hα-helixtrans53.9-175.1-162.883.20000111.7T247 R251 T253 L275T247-T249 HydrophobicContact CG2-CG2 3.94Å; T249-R251 PolarHBondContact O-N 2.85Å; T249-R251 PolarHBondContact OG1-N 3.44Å; T249-T253 WeakPolarHBondContact O-CB 3.42Å; T249-T253 PolarHBondContact O-N 2.97Å; T249-T253 PolarHBondContact O-OG1 3.45Å; T249-L275 CarbonylContact C-O 3.38Å; T249-L275 WeakPolarHBondContact CA-O 3.36Å; T249-L275 PolarHBondContact N-O 2.91Å
250K90.4Very high96.6Very high61 Ų6129.4 Ų29.427%0.26515%0.151SC..Hα-helixtrans-60-35.9171.470-175.6177-168.30112.6T253 L254 R277 E279 E498K250-T253 PolarHBondContact O-N 3.11Å; K250-L254 WeakPolarHBondContact O-CB 3.45Å; K250-L254 VanDerWaalsContact O-CG 3.23Å; K250-L254 WeakPolarHBondContact O-CG 3.33Å; K250-L254 PolarHBondContact O-N 3.38Å; K250-R277 HydrophobicContact CB-CB 4.37Å; K250-E279 WeakPolarHBondContact CD-OE2 3.38Å; K250-E279 IonicContact NZ-OE2 3.12Å; K250-E498 PolarHBondContact NZ-O 3.32Å
251R93.2Very high96.3Very high107 Ų10731.3 Ų31.340%0.40416%0.157SC..Hα-helixtrans-68.6-49.5-172.6-66.9177.468.3178.10111.6Y222 T249 T253 A255 D371Y222-R251 HydrophobicContact CD2-CB 4.25Å; Y222-R251 HydrophobicContact CG-CB 4.32Å; Y222-R251 PolarHBondContact OH-NH1 3.13Å; T249-R251 PolarHBondContact O-N 2.85Å; T249-R251 PolarHBondContact OG1-N 3.44Å; R251-T253 VanDerWaalsContact C-N 3.33Å; R251-A255 PolarHBondContact O-N 2.9Å; R251-D371 IonicContact NH1-OD2 2.76Å
252G96.8Very high95.7Very high0 Ų037.3 Ų37.30%019%0.185CC..Hα-helixtrans-65.5-39177.300000111.6F248 A255 M256F248-G252 WeakPolarHBondContact O-CA 3.47Å; F248-G252 PolarHBondContact O-N 3.33Å; G252-A255 PolarHBondContact O-N 3.19Å; G252-M256 PolarHBondContact O-N 3.06Å
253T96.9Very high95.6Very high0 Ų036.1 Ų36.10%018%0.178CC..Hα-helixtrans-63.5-44.8177.7-56.30000112.4T249 K250 R251 A255 M256 A257 V276 G280 L284T249-T253 WeakPolarHBondContact O-CB 3.42Å; T249-T253 PolarHBondContact O-N 2.97Å; T249-T253 PolarHBondContact O-OG1 3.45Å; K250-T253 PolarHBondContact O-N 3.11Å; R251-T253 VanDerWaalsContact C-N 3.33Å; T253-A255 VanDerWaalsContact C-N 3.31Å; T253-A255 PolarHBondContact O-N 2.91Å; T253-M256 PolarHBondContact O-N 2.94Å; T253-A257 WeakPolarHBondContact O-CB 3.25Å; T253-A257 PolarHBondContact O-N 3.29Å; T253-V276 HydrophobicContact CG2-CG1 3.69Å; T253-V276 PolarHBondContact OG1-O 3.47Å; T253-G280 VanDerWaalsContact CG2-C 3.49Å; T253-G280 VanDerWaalsContact CG2-CA 3.44Å; T253-G280 WeakPolarHBondContact CG2-O 3.43Å; T253-L284 HydrophobicContact CG2-CD1 3.79Å; T253-L284 HydrophobicContact CG2-CG 3.93Å
254L96.1Very high95.4Very high85 Ų8542.5 Ų42.545%0.44520%0.203SC..Hα-helixtrans-59.4-42.1176.2-73.8169.1000112K250 A257 Q258 A283K250-L254 WeakPolarHBondContact O-CB 3.45Å; K250-L254 VanDerWaalsContact O-CG 3.23Å; K250-L254 WeakPolarHBondContact O-CG 3.33Å; K250-L254 PolarHBondContact O-N 3.38Å; L254-A257 PolarHBondContact O-N 2.95Å; L254-Q258 PolarHBondContact O-N 3.39Å; L254-A283 HydrophobicContact CD2-CB 3.52Å
255A97.1Very high95.4Very high27 Ų2743.5 Ų43.522%0.22321%0.208CC..Hα-helixtrans-64.1-42.517600000112M226 A229 R251 G252 T253 Q258 A259M226-A255 HydrophobicContact CB-CB 4.44Å; M226-A255 HydrophobicContact CG-CB 3.75Å; A229-A255 HydrophobicContact CB-CB 4.15Å; R251-A255 PolarHBondContact O-N 2.9Å; G252-A255 PolarHBondContact O-N 3.19Å; T253-A255 VanDerWaalsContact C-N 3.31Å; T253-A255 PolarHBondContact O-N 2.91Å; A255-Q258 PolarHBondContact O-N 2.97Å; A255-A259 PolarHBondContact O-N 3.36Å; A255-A259 VanDerWaalsContact O-N 3.1Å
256M97.8Very high95.4Very high0 Ų040.8 Ų40.80%019%0.193CC..Hα-helixtrans-65.6-42.7177-167.86269.600111.9V225 A229 I232 F243 F248 G252 T253 Q258 A259 L260 F271V225-M256 HydrophobicContact CG1-CE 4.04Å; A229-M256 HydrophobicContact CB-CE 4.21Å; A229-M256 HydrophobicContact CB-SD 4.28Å; I232-M256 HydrophobicContact CD1-CE 3.86Å; I232-M256 HydrophobicContact CD1-SD 3.81Å; F243-M256 HydrophobicContact CD2-CE 4.01Å; F243-M256 HydrophobicContact CE2-CE 3.79Å; F248-M256 HydrophobicContact CE2-CB 4.21Å; F248-M256 HydrophobicContact CE2-CE 4.15Å; F248-M256 HydrophobicContact CE2-CG 4.21Å; F248-M256 HydrophobicContact CZ-CE 4.16Å; G252-M256 PolarHBondContact O-N 3.06Å; T253-M256 PolarHBondContact O-N 2.94Å; M256-Q258 VanDerWaalsContact C-N 3.3Å; M256-Q258 PolarHBondContact O-N 3.3Å; M256-A259 WeakPolarHBondContact O-CB 3.2Å; M256-A259 PolarHBondContact O-N 2.99Å; M256-A259 VanDerWaalsContact O-N 3.1Å; M256-L260 HydrophobicContact CG-CD1 4.21Å; M256-L260 WeakPolarHBondContact O-CG 3.48Å; M256-L260 PolarHBondContact O-N 2.88Å; M256-F271 HydrophobicContact CG-CE1 4.41Å; M256-F271 HydrophobicContact CG-CE2 3.77Å; M256-F271 HydrophobicContact CG-CZ 3.5Å; M256-F271 HydrophobicContact SD-CZ 4.31Å
257A96.9Very high95.4Very high4 Ų442.2 Ų42.23%0.03320%0.2CC..Hα-helixtrans-56.9-44.6174.500000111.1T253 L254 A259 L260 R261 A283 L284 V287T253-A257 WeakPolarHBondContact O-CB 3.25Å; T253-A257 PolarHBondContact O-N 3.29Å; L254-A257 PolarHBondContact O-N 2.95Å; A257-A259 VanDerWaalsContact C-N 3.33Å; A257-A259 PolarHBondContact O-N 3.31Å; A257-L260 PolarHBondContact O-N 3.34Å; A257-R261 PolarHBondContact O-N 2.93Å; A257-A283 HydrophobicContact CB-CB 4.14Å; A257-L284 HydrophobicContact CB-CD2 3.94Å; A257-L284 HydrophobicContact CB-CG 4.46Å; A257-V287 HydrophobicContact CB-CG2 4.03Å; A257-V287 WeakPolarHBondContact O-CG2 3.38Å
258Q95.8Very high95.5Very high100 Ų10040.9 Ų40.947%0.46719%0.191SC..Hα-helixtrans-60.2-41.2175.4-176.761.426.800112.6L254 A255 M256L254-Q258 PolarHBondContact O-N 3.39Å; A255-Q258 PolarHBondContact O-N 2.97Å; M256-Q258 VanDerWaalsContact C-N 3.3Å; M256-Q258 PolarHBondContact O-N 3.3Å
259A96.4Very high95.6Very high6 Ų640.9 Ų40.95%0.0519%0.192CC..Hα-helixtrans-66.4-37.6178.500000112.5A229 I232 R233 A255 M256 A257 R261A229-A259 HydrophobicContact CB-CB 4.12Å; A229-A259 VanDerWaalsContact O-CB 3.26Å; A229-A259 WeakPolarHBondContact O-CB 3.15Å; I232-A259 HydrophobicContact CG2-CB 4.46Å; R233-A259 HydrophobicContact CB-CB 4.44Å; A255-A259 PolarHBondContact O-N 3.36Å; A255-A259 VanDerWaalsContact O-N 3.1Å; M256-A259 WeakPolarHBondContact O-CB 3.2Å; M256-A259 PolarHBondContact O-N 2.99Å; M256-A259 VanDerWaalsContact O-N 3.1Å; A257-A259 VanDerWaalsContact C-N 3.33Å; A257-A259 PolarHBondContact O-N 3.31Å; A259-R261 VanDerWaalsContact C-N 3.3Å; A259-R261 PolarHBondContact O-N 3.28Å
260L97.1Very high95.9Very high0 Ų041.3 Ų41.30%019%0.193CC..Hα-helixtrans-67.9-22.5-177.7-74.7168.9000114.2L241 M256 A257 H262 L263 I266 I269 F271 L284 V287L241-L260 HydrophobicContact CD1-CD2 3.77Å; M256-L260 HydrophobicContact CG-CD1 4.21Å; M256-L260 WeakPolarHBondContact O-CG 3.48Å; M256-L260 PolarHBondContact O-N 2.88Å; A257-L260 PolarHBondContact O-N 3.34Å; L260-H262 PolarHBondContact O-N 3.43Å; L260-L263 HydrophobicContact CD2-CD1 4.33Å; L260-L263 PolarHBondContact O-N 2.9Å; L260-I266 HydrophobicContact CD2-CD1 4.33Å; L260-I266 HydrophobicContact CD2-CG1 4.15Å; L260-I269 HydrophobicContact CD1-CD1 3.94Å; L260-I269 HydrophobicContact CD2-CD1 4.2Å; L260-F271 HydrophobicContact CD1-CE2 4.26Å; L260-F271 HydrophobicContact CD1-CZ 4.4Å; L260-L284 HydrophobicContact CD1-CD2 3.81Å; L260-V287 HydrophobicContact CB-CG1 3.91Å
261R92.2Very high96.3Very high55 Ų5538.4 Ų38.421%0.20818%0.18CC..THydrogen-bonded Turntrans-50.5-30.8-176.1-78-176.2146.4131.41.2114.9A257 A259 V287A257-R261 PolarHBondContact O-N 2.93Å; A259-R261 VanDerWaalsContact C-N 3.3Å; A259-R261 PolarHBondContact O-N 3.28Å; R261-V287 HydrophobicContact CG-CG1 4.36Å; R261-V287 HydrophobicContact CG-CG2 3.92Å
262H86.2Confident96.5Very high125 Ų12533.3 Ų33.358%0.57916%0.161SC*.THydrogen-bonded Turntrans-105.3-3.1-174.9-55.5-62.3000113.9L260 R264L260-H262 PolarHBondContact O-N 3.43Å; H262-R264 PolarHBondContact O-N 2.83Å
263L95.3Very high96.5Very high3 Ų336.6 Ų36.62%0.01618%0.179CC..  trans-9488.7-173.4-61-178.5000111.1I232 N235 L238 L260 N265 I266 L292I232-L263 HydrophobicContact CG2-CD1 3.44Å; I232-L263 VanDerWaalsContact CG2-CD1 3.44Å; N235-L263 WeakPolarHBondContact O-CD2 3.4Å; L238-L263 HydrophobicContact CD1-CD1 4.16Å; L260-L263 HydrophobicContact CD2-CD1 4.33Å; L260-L263 PolarHBondContact O-N 2.9Å; L263-N265 VanDerWaalsContact C-N 3.3Å; L263-N265 PolarHBondContact O-N 3.41Å; L263-I266 HydrophobicContact CB-CD1 4.27Å; L263-I266 HydrophobicContact CB-CG1 3.67Å; L263-I266 HydrophobicContact CD1-CD1 4.25Å; L263-I266 HydrophobicContact CD1-CG1 4.47Å; L263-L292 WeakPolarHBondContact O-CD2 3.44Å
264R95Very high96.5Very high134 Ų13436.6 Ų36.651%0.50618%0.179SC..THydrogen-bonded Turntrans-75.2-16-172.9-62.1-66.6-176.2174.3-5.1114.4H262 E290 V294H262-R264 PolarHBondContact O-N 2.83Å; R264-E290 PolarHBondContact NH1-O 3.44Å; R264-V294 WeakPolarHBondContact O-CG2 3.4Å
265N97.8Very high96.5Very high61 Ų6134.6 Ų34.633%0.32617%0.168SC..THydrogen-bonded Turntrans-96.40.5-173-68.2-20.8000114.4E237 L238 R239 L263 Q267E237-N265 PolarHBondContact OE2-ND2 3.36Å; L238-N265 CarbonylContact O-C 3.19Å; R239-N265 WeakPolarHBondContact CA-O 3.4Å; L263-N265 VanDerWaalsContact C-N 3.3Å; L263-N265 PolarHBondContact O-N 3.41Å; N265-Q267 PolarHBondContact O-N 2.82Å
266I98.5Very high96.4Very high0 Ų033.3 Ų33.30%016%0.158CC..  trans-64.1123.7-178.8-60.1-74.4000110.2L238 L241 L260 L263 I269 L292 V294 L295L238-I266 HydrophobicContact CB-CD1 3.71Å; L238-I266 WeakPolarHBondContact O-CD1 3.33Å; L238-I266 PolarHBondContact O-N 2.8Å; L241-I266 HydrophobicContact CD1-CD1 3.99Å; L241-I266 HydrophobicContact CG-CD1 4.16Å; L260-I266 HydrophobicContact CD2-CD1 4.33Å; L260-I266 HydrophobicContact CD2-CG1 4.15Å; L263-I266 HydrophobicContact CB-CD1 4.27Å; L263-I266 HydrophobicContact CB-CG1 3.67Å; L263-I266 HydrophobicContact CD1-CD1 4.25Å; L263-I266 HydrophobicContact CD1-CG1 4.47Å; I266-I269 HydrophobicContact CG2-CD1 3.9Å; I266-I269 HydrophobicContact CG2-CG1 3.52Å; I266-L292 HydrophobicContact CB-CD2 4.09Å; I266-L292 HydrophobicContact CG1-CD2 4.19Å; I266-V294 CarbonylContact O-C 3.25Å; I266-L295 HydrophobicContact CG2-CD1 3.97Å; I266-L295 WeakPolarHBondContact O-CA 3.24Å; I266-L295 PolarHBondContact O-N 3.01Å
267Q98.6Very high96.1Very high35 Ų3535 Ų3516%0.16416%0.164CC..  trans-109.3-32.6178.6-71.3172.65600111.9R239 N265 V294 K296 E297R239-Q267 PolarHBondContact O-N 3.03Å; N265-Q267 PolarHBondContact O-N 2.82Å; Q267-V294 HydrophobicContact CG-CG2 4.16Å; Q267-K296 HydrophobicContact CB-CD 4.36Å; Q267-K296 HydrophobicContact CB-CG 4.46Å; Q267-K296 HydrophobicContact CG-CD 4.48Å; Q267-K296 WeakPolarHBondContact O-CA 3.41Å; Q267-K296 WeakPolarHBondContact O-CB 3.15Å; Q267-K296 PolarHBondContact O-N 3.47Å; Q267-E297 PolarHBondContact O-N 3.48Å
268V98.8Very high96Very high32 Ų3235.3 Ų35.319%0.19417%0.166CC..EExtended strand (participates in β ladder)trans-134.7124.4-176.5179.10000110R239 V240 L241 E297R239-V268 PolarHBondContact O-N 3.27Å; V240-V268 HydrophobicContact CB-CB 4.46Å; V240-V268 HydrophobicContact CG1-CB 4.1Å; V240-V268 HydrophobicContact CG1-CG1 4.25Å; V240-V268 HydrophobicContact CG2-CB 4.18Å; V240-V268 HydrophobicContact CG2-CG2 4.35Å; L241-V268 PolarHBondContact N-O 3.06Å; V268-E297 WeakPolarHBondContact CA-O 3.14Å; V268-E297 HydrophobicContact CB-CB 4.48Å; V268-E297 HydrophobicContact CG1-CB 4.18Å; V268-E297 HydrophobicContact CG2-CB 4.17Å; V268-E297 HydrophobicContact CG2-CG 4.32Å
269I98.8Very high95.8Very high2 Ų234.1 Ų34.11%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-118.6118.7169.5-65.6176.7000107.8L260 I266 F271 L292 L295 E297 L298 N299L260-I269 HydrophobicContact CD1-CD1 3.94Å; L260-I269 HydrophobicContact CD2-CD1 4.2Å; I266-I269 HydrophobicContact CG2-CD1 3.9Å; I266-I269 HydrophobicContact CG2-CG1 3.52Å; I269-F271 HydrophobicContact CG2-CD1 4.06Å; I269-F271 HydrophobicContact CG2-CD2 3.55Å; I269-F271 HydrophobicContact CG2-CE1 3.84Å; I269-F271 HydrophobicContact CG2-CE2 3.36Å; I269-F271 HydrophobicContact CG2-CG 3.9Å; I269-F271 HydrophobicContact CG2-CZ 3.51Å; I269-L292 HydrophobicContact CD1-CD1 3.71Å; I269-L295 HydrophobicContact CD1-CD1 4.17Å; I269-L295 HydrophobicContact CG1-CD1 4.05Å; I269-E297 PolarHBondContact N-O 3.33Å; I269-L298 HydrophobicContact CB-CD1 3.95Å; I269-L298 HydrophobicContact CG2-CD1 3.87Å; I269-L298 WeakPolarHBondContact O-CA 3.26Å; I269-N299 PolarHBondContact O-N 2.86Å
270N98.7Very high95.7Very high30 Ų3033.9 Ų33.916%0.1616%0.158CC..EExtended strand (participates in β ladder)trans-123.397.4174-173.94.7000110.9L241 N242 F243 N244 G272 N299L241-N270 PolarHBondContact O-N 3.24Å; N242-N270 HydrophobicContact CB-CB 4.19Å; N242-N270 PolarHBondContact OD1-ND2 2.95Å; F243-N270 PolarHBondContact N-O 3.45Å; N244-N270 PolarHBondContact N-O 3.48Å; N270-G272 PolarHBondContact OD1-N 2.98Å; N270-N299 HydrophobicContact CB-CB 4.35Å; N270-N299 WeakPolarHBondContact OD1-CB 3.5Å; N270-N299 PolarHBondContact OD1-ND2 3.2Å
271F98.4Very high95.7Very high0 Ų033.9 Ų33.90%016%0.158CC..  trans-117.733.5172.7-50.4-29.7000110.3L241 F243 F248 M256 L260 I269 C274 V276 L284 N299 L300L241-F271 HydrophobicContact CB-CE1 4.31Å; F243-F271 HydrophobicContact CB-CD1 4.27Å; F243-F271 HydrophobicContact CD2-CD1 4.34Å; F243-F271 AromaticContact CD2-CE1 3.8Å; F243-F271 HydrophobicContact CD2-CE1 3.8Å; F248-F271 AromaticContact CE2-CD1 3.97Å; F248-F271 HydrophobicContact CE2-CD1 3.97Å; F248-F271 HydrophobicContact CE2-CD2 4.21Å; F248-F271 HydrophobicContact CE2-CE1 4.19Å; F248-F271 HydrophobicContact CE2-CE2 4.36Å; F248-F271 HydrophobicContact CE2-CG 4.02Å; F248-F271 HydrophobicContact CE2-CZ 4.36Å; F248-F271 AromaticContact CZ-CD1 3.95Å; F248-F271 HydrophobicContact CZ-CD1 3.95Å; F248-F271 HydrophobicContact CZ-CE1 4.22Å; F248-F271 HydrophobicContact CZ-CG 4.38Å; M256-F271 HydrophobicContact CG-CE1 4.41Å; M256-F271 HydrophobicContact CG-CE2 3.77Å; M256-F271 HydrophobicContact CG-CZ 3.5Å; M256-F271 HydrophobicContact SD-CZ 4.31Å; L260-F271 HydrophobicContact CD1-CE2 4.26Å; L260-F271 HydrophobicContact CD1-CZ 4.4Å; I269-F271 HydrophobicContact CG2-CD1 4.06Å; I269-F271 HydrophobicContact CG2-CD2 3.55Å; I269-F271 HydrophobicContact CG2-CE1 3.84Å; I269-F271 HydrophobicContact CG2-CE2 3.36Å; I269-F271 HydrophobicContact CG2-CG 3.9Å; I269-F271 HydrophobicContact CG2-CZ 3.51Å; F271-C274 VanDerWaalsContact C-SG 3.5Å; F271-C274 VanDerWaalsContact CA-SG 3.59Å; F271-C274 HydrophobicContact CB-CB 4.21Å; F271-C274 VanDerWaalsContact O-CB 3.26Å; F271-C274 WeakPolarHBondContact O-CB 3.42Å; F271-C274 PolarHBondContact O-SG 2.7Å; F271-V276 HydrophobicContact CB-CG2 4.18Å; F271-L284 HydrophobicContact CD2-CD1 4.03Å; F271-L284 HydrophobicContact CE2-CD1 4.36Å; F271-L284 HydrophobicContact CE2-CD2 4.19Å; F271-N299 CarbonylContact C-O 3.21Å; F271-N299 PolarHBondContact N-O 3.11Å; F271-L300 HydrophobicContact CB-CD2 4.04Å; F271-L300 HydrophobicContact CD2-CD2 4.2Å
272G97.5Very high95.8Very high0 Ų034.9 Ų34.90%017%0.167CC..THydrogen-bonded Turntrans-65.1149.5172.600000110.4N244 D245 N270 C274 N299 S301N244-G272 CarbonylContact C-O 3.35Å; N244-G272 WeakPolarHBondContact CA-O 3.43Å; N244-G272 PolarHBondContact ND2-O 3.4Å; D245-G272 PolarHBondContact N-O 3.38Å; N270-G272 PolarHBondContact OD1-N 2.98Å; G272-C274 PolarHBondContact O-N 2.9Å; G272-C274 PolarHBondContact O-SG 2.65Å; G272-C274 VanDerWaalsContact O-SG 3.36Å; G272-N299 PolarHBondContact N-O 3.38Å; G272-S301 CarbonylContact C-O 3.43Å; G272-S301 WeakPolarHBondContact CA-O 3.02Å
273D96.8Very high96.3Very high69 Ų6929.3 Ų29.337%0.36914%0.143SC..THydrogen-bonded Turntrans53.338.4-179.1-154.4-2.1000112.1D245 N246 S301 F302D245-D273 WeakPolarHBondContact CA-O 3.26Å; D245-D273 HydrophobicContact CB-CB 4.2Å; D245-D273 PolarHBondContact N-O 3.12Å; N246-D273 PolarHBondContact N-O 3.08Å; D273-S301 PolarHBondContact N-O 3.49Å; D273-F302 VanDerWaalsContact CA-O 3.31Å; D273-F302 WeakPolarHBondContact CA-O 3.48Å; D273-F302 HydrophobicContact CB-CB 4.12Å
274C97.6Very high96.4Very high0 Ų029.4 Ų29.40%014%0.143CC..SBendtrans-109.32.1-178-69.90000114.3F243 N246 F248 F271 G272 V276F243-C274 PolarHBondContact O-SG 2.99Å; N246-C274 CarbonylContact O-C 3.16Å; N246-C274 WeakPolarHBondContact O-CA 3.44Å; N246-C274 VanDerWaalsContact O-CB 3.27Å; N246-C274 WeakPolarHBondContact O-CB 3.27Å; N246-C274 PolarHBondContact O-SG 2.6Å; N246-C274 VanDerWaalsContact O-SG 3.38Å; F248-C274 HydrophobicContact CB-CB 4.21Å; F248-C274 WeakPolarHBondContact CB-O 3.46Å; F248-C274 HydrophobicContact CD1-CB 3.85Å; F248-C274 HydrophobicContact CE1-CB 4.45Å; F248-C274 HydrophobicContact CG-CB 3.98Å; F248-C274 PolarHBondContact N-O 2.98Å; F271-C274 VanDerWaalsContact C-SG 3.5Å; F271-C274 VanDerWaalsContact CA-SG 3.59Å; F271-C274 HydrophobicContact CB-CB 4.21Å; F271-C274 VanDerWaalsContact O-CB 3.26Å; F271-C274 WeakPolarHBondContact O-CB 3.42Å; F271-C274 PolarHBondContact O-SG 2.7Å; G272-C274 PolarHBondContact O-N 2.9Å; G272-C274 PolarHBondContact O-SG 2.65Å; G272-C274 VanDerWaalsContact O-SG 3.36Å; C274-V276 VanDerWaalsContact C-N 3.29Å; C274-V276 HydrophobicContact CB-CG2 4.02Å; C274-V276 PolarHBondContact O-N 2.92Å
275L94.8Very high96.4Very high44 Ų4423.1 Ų23.123%0.2312%0.12CC..  trans50.252.3-170.5-51.9-174.4000110.9T247 T249 R277T247-L275 HydrophobicContact CG2-CD1 3.86Å; T249-L275 CarbonylContact C-O 3.38Å; T249-L275 WeakPolarHBondContact CA-O 3.36Å; T249-L275 PolarHBondContact N-O 2.91Å; L275-R277 PolarHBondContact O-N 2.85Å
276V94.8Very high96.3Very high0 Ų021.2 Ų21.20%011%0.113CC..  trans-59.1-30.8-176.5175.40000111.3T253 F271 C274 G280 A281 L284 L300 G303 I305T253-V276 HydrophobicContact CG2-CG1 3.69Å; T253-V276 PolarHBondContact OG1-O 3.47Å; F271-V276 HydrophobicContact CB-CG2 4.18Å; C274-V276 VanDerWaalsContact C-N 3.29Å; C274-V276 HydrophobicContact CB-CG2 4.02Å; C274-V276 PolarHBondContact O-N 2.92Å; V276-G280 WeakPolarHBondContact O-CA 3.36Å; V276-A281 HydrophobicContact CG1-CB 4.13Å; V276-L284 HydrophobicContact CG1-CD1 4.1Å; V276-L300 HydrophobicContact CG2-CD2 4.27Å; V276-G303 PolarHBondContact N-O 3.38Å; V276-I305 HydrophobicContact CB-CD1 4.5Å; V276-I305 HydrophobicContact CG1-CD1 4.48Å
277R93.3Very high96.1Very high35 Ų3521.4 Ų21.413%0.13211%0.114CC..Hα-helixtrans60.2161.5-173.9-55-71.6-169.9-122.98112.4K250 L275 E279 G280 A281 G303 E304 D369K250-R277 HydrophobicContact CB-CB 4.37Å; L275-R277 PolarHBondContact O-N 2.85Å; R277-E279 PolarHBondContact O-N 2.87Å; R277-G280 PolarHBondContact O-N 3.38Å; R277-A281 WeakPolarHBondContact O-CB 3.46Å; R277-A281 PolarHBondContact O-N 3.44Å; R277-G303 WeakPolarHBondContact CA-O 3.36Å; R277-G303 PolarHBondContact N-O 3.44Å; R277-E304 IonicContact CZ-OE1 3.4Å; R277-E304 IonicContact CZ-OE2 3.91Å; R277-E304 VanDerWaalsContact CZ-OE2 3.22Å; R277-E304 IonicContact NE-OE2 3.51Å; R277-E304 IonicContact NH1-OE1 2.76Å; R277-E304 PolarHBondContact NH1-OE1 2.93Å; R277-E304 IonicContact NH1-OE2 3.08Å; R277-E304 PolarHBondContact NH1-OE2 3.05Å; R277-E304 IonicContact NH2-OE1 3.17Å; R277-E304 IonicContact NH2-OE2 2.76Å; R277-D369 IonicContact CZ-OD2 3.1Å; R277-D369 IonicContact NH2-OD2 3.96Å; R277-D369 PolarHBondContact NH2-OD2 2.92Å
278S93.8Very high96Very high11 Ų1119.9 Ų19.98%0.07711%0.107CC..Hα-helixtrans-60.9-43.3-176.4-67.60000112.9G280 A281 I282 T306S278-G280 PolarHBondContact O-N 3.15Å; S278-A281 PolarHBondContact O-N 3.46Å; S278-I282 VanDerWaalsContact O-CG1 3.3Å; S278-I282 WeakPolarHBondContact O-CG1 3.43Å; S278-I282 PolarHBondContact O-N 2.75Å; S278-T306 WeakPolarHBondContact OG-CG2 3.47Å; S278-T306 PolarHBondContact OG-N 3.23Å; S278-T306 PolarHBondContact OG-OG1 3.46Å
279E91.6Very high95.7Very high75 Ų7523.1 Ų23.135%0.3513%0.127SC..Hα-helixtrans-63.7-41178.4-65-177170.800112.3K250 R277 I282 A283K250-E279 WeakPolarHBondContact CD-OE2 3.38Å; K250-E279 IonicContact NZ-OE2 3.12Å; R277-E279 PolarHBondContact O-N 2.87Å; E279-I282 PolarHBondContact O-N 2.83Å; E279-A283 PolarHBondContact O-N 3.11Å; E279-A283 VanDerWaalsContact O-N 3.07Å
280G94.1Very high95.2Very high0 Ų027.8 Ų27.80%015%0.148CC..Hα-helixtrans-65.8-41.7176.500000112.1T253 V276 R277 S278 I282 A283 L284T253-G280 VanDerWaalsContact CG2-C 3.49Å; T253-G280 VanDerWaalsContact CG2-CA 3.44Å; T253-G280 WeakPolarHBondContact CG2-O 3.43Å; V276-G280 WeakPolarHBondContact O-CA 3.36Å; R277-G280 PolarHBondContact O-N 3.38Å; S278-G280 PolarHBondContact O-N 3.15Å; G280-I282 PolarHBondContact O-N 2.74Å; G280-A283 WeakPolarHBondContact O-CB 3.36Å; G280-A283 PolarHBondContact O-N 3.29Å; G280-L284 PolarHBondContact O-N 3.4Å
281A96.4Very high94.8Very high0 Ų026.6 Ų26.60%014%0.143CC..Hα-helixtrans-62.2-42.1176.300000112.1V276 R277 S278 A283 L284 A285 I305 V313V276-A281 HydrophobicContact CG1-CB 4.13Å; R277-A281 WeakPolarHBondContact O-CB 3.46Å; R277-A281 PolarHBondContact O-N 3.44Å; S278-A281 PolarHBondContact O-N 3.46Å; A281-A283 VanDerWaalsContact C-N 3.32Å; A281-A283 PolarHBondContact O-N 3.36Å; A281-L284 PolarHBondContact O-N 3.08Å; A281-A285 PolarHBondContact O-N 3.16Å; A281-I305 HydrophobicContact CB-CD1 3.72Å; A281-I305 HydrophobicContact CB-CG1 3.92Å; A281-I305 HydrophobicContact CB-CG2 3.95Å; A281-V313 HydrophobicContact CB-CG2 4.03Å
282I95.4Very high94.7Very high76 Ų7626.7 Ų26.739%0.3914%0.144SC..Hα-helixtrans-62.6-40174.7-69165.1000111S278 E279 G280 A285 A286 A309S278-I282 VanDerWaalsContact O-CG1 3.3Å; S278-I282 WeakPolarHBondContact O-CG1 3.43Å; S278-I282 PolarHBondContact O-N 2.75Å; E279-I282 PolarHBondContact O-N 2.83Å; G280-I282 PolarHBondContact O-N 2.74Å; I282-A285 WeakPolarHBondContact O-CB 3.04Å; I282-A285 PolarHBondContact O-N 3.22Å; I282-A286 PolarHBondContact O-N 3.12Å; I282-A309 HydrophobicContact CD1-CB 4.12Å; I282-A309 HydrophobicContact CG1-CB 3.95Å
283A95.9Very high94.6Very high9 Ų929.4 Ų29.47%0.07416%0.161CC..Hα-helixtrans-64.9-40.4176.600000112.4L254 A257 E279 G280 A281 A285 A286 V287L254-A283 HydrophobicContact CD2-CB 3.52Å; A257-A283 HydrophobicContact CB-CB 4.14Å; E279-A283 PolarHBondContact O-N 3.11Å; E279-A283 VanDerWaalsContact O-N 3.07Å; G280-A283 WeakPolarHBondContact O-CB 3.36Å; G280-A283 PolarHBondContact O-N 3.29Å; A281-A283 VanDerWaalsContact C-N 3.32Å; A281-A283 PolarHBondContact O-N 3.36Å; A283-A285 VanDerWaalsContact C-N 3.35Å; A283-A286 PolarHBondContact O-N 3.4Å; A283-V287 WeakPolarHBondContact O-CG2 3.45Å; A283-V287 PolarHBondContact O-N 3.37Å
284L97.1Very high94.6Very high5 Ų528.3 Ų28.33%0.02616%0.157CC..Hα-helixtrans-62.6-42.4171.9-70.8172.6000111.3T253 A257 L260 F271 V276 G280 A281 A286 V287 L288 L300T253-L284 HydrophobicContact CG2-CD1 3.79Å; T253-L284 HydrophobicContact CG2-CG 3.93Å; A257-L284 HydrophobicContact CB-CD2 3.94Å; A257-L284 HydrophobicContact CB-CG 4.46Å; L260-L284 HydrophobicContact CD1-CD2 3.81Å; F271-L284 HydrophobicContact CD2-CD1 4.03Å; F271-L284 HydrophobicContact CE2-CD1 4.36Å; F271-L284 HydrophobicContact CE2-CD2 4.19Å; V276-L284 HydrophobicContact CG1-CD1 4.1Å; G280-L284 PolarHBondContact O-N 3.4Å; A281-L284 PolarHBondContact O-N 3.08Å; L284-A286 VanDerWaalsContact C-N 3.32Å; L284-A286 PolarHBondContact O-N 3.35Å; L284-V287 WeakPolarHBondContact O-CB 3.27Å; L284-V287 PolarHBondContact O-N 3.32Å; L284-V287 VanDerWaalsContact O-N 3.11Å; L284-L288 WeakPolarHBondContact O-CG 3.27Å; L284-L288 PolarHBondContact O-N 3.15Å; L284-L300 HydrophobicContact CD1-CD1 4.24Å; L284-L300 HydrophobicContact CD1-CD2 3.75Å
285A96.3Very high94.7Very high1 Ų128.3 Ų28.31%0.00816%0.157CC..Hα-helixtrans-57.7-42.3175.800000112.3A281 I282 A283 V287 L288 T289 V312 V313 A316A281-A285 PolarHBondContact O-N 3.16Å; I282-A285 WeakPolarHBondContact O-CB 3.04Å; I282-A285 PolarHBondContact O-N 3.22Å; A283-A285 VanDerWaalsContact C-N 3.35Å; A285-V287 VanDerWaalsContact C-N 3.33Å; A285-V287 PolarHBondContact O-N 2.57Å; A285-L288 WeakPolarHBondContact O-CB 3.41Å; A285-L288 PolarHBondContact O-N 2.65Å; A285-T289 PolarHBondContact O-N 3.07Å; A285-T289 PolarHBondContact O-OG1 3.48Å; A285-T289 VanDerWaalsContact O-OG1 3.1Å; A285-V312 HydrophobicContact CB-CG1 3.73Å; A285-V313 HydrophobicContact CB-CG2 4.17Å; A285-A316 HydrophobicContact CB-CB 3.89Å; A285-A316 WeakPolarHBondContact O-CB 3.45Å
286A94.9Very high94.8Very high22 Ų2229.3 Ų29.318%0.18216%0.16CC..Hα-helixtrans-59.9-42.5174.900000112.3I282 A283 L284 L288 T289 E290 L479I282-A286 PolarHBondContact O-N 3.12Å; A283-A286 PolarHBondContact O-N 3.4Å; L284-A286 VanDerWaalsContact C-N 3.32Å; L284-A286 PolarHBondContact O-N 3.35Å; A286-L288 VanDerWaalsContact C-N 3.34Å; A286-T289 PolarHBondContact O-N 3.15Å; A286-E290 PolarHBondContact O-N 2.9Å; A286-L479 HydrophobicContact CB-CD1 4.24Å
287V95.5Very high94.9Very high3 Ų332.9 Ų32.92%0.01818%0.176CC..Hα-helixtrans-67.1-36.5176.4177.80000111.6A257 L260 R261 A283 L284 A285 G291 L292A257-V287 HydrophobicContact CB-CG2 4.03Å; A257-V287 WeakPolarHBondContact O-CG2 3.38Å; L260-V287 HydrophobicContact CB-CG1 3.91Å; R261-V287 HydrophobicContact CG-CG1 4.36Å; R261-V287 HydrophobicContact CG-CG2 3.92Å; A283-V287 WeakPolarHBondContact O-CG2 3.45Å; A283-V287 PolarHBondContact O-N 3.37Å; L284-V287 WeakPolarHBondContact O-CB 3.27Å; L284-V287 PolarHBondContact O-N 3.32Å; L284-V287 VanDerWaalsContact O-N 3.11Å; A285-V287 VanDerWaalsContact C-N 3.33Å; A285-V287 PolarHBondContact O-N 2.57Å; V287-G291 WeakPolarHBondContact O-CA 3.37Å; V287-G291 PolarHBondContact O-N 3.34Å; V287-L292 HydrophobicContact CG1-CD1 4.35Å; V287-L292 HydrophobicContact CG1-CG 4.39Å
288L95.4Very high95.2Very high3 Ų331.3 Ų31.32%0.01617%0.171CC..Hα-helixtrans-63.8-44.6175.9-69.9163.7000110.6L284 A285 A286 E290 L292 L295 L298 A316 V317 K320L284-L288 WeakPolarHBondContact O-CG 3.27Å; L284-L288 PolarHBondContact O-N 3.15Å; A285-L288 WeakPolarHBondContact O-CB 3.41Å; A285-L288 PolarHBondContact O-N 2.65Å; A286-L288 VanDerWaalsContact C-N 3.34Å; L288-E290 PolarHBondContact O-N 3.32Å; L288-L292 HydrophobicContact CD2-CD1 3.87Å; L288-L295 HydrophobicContact CD2-CD2 3.13Å; L288-L298 HydrophobicContact CD1-CD2 3.62Å; L288-A316 HydrophobicContact CB-CB 3.94Å; L288-V317 HydrophobicContact CD1-CG1 4.06Å; L288-K320 WeakPolarHBondContact O-CE 3.46Å; L288-K320 PolarHBondContact O-NZ 3.39Å
289T92.3Very high95.4Very high100 Ų10032.2 Ų32.261%0.61317%0.174SC*.Hα-helixtrans-61.3-41178.6-56.20000112.6A285 A286 A316A285-T289 PolarHBondContact O-N 3.07Å; A285-T289 PolarHBondContact O-OG1 3.48Å; A285-T289 VanDerWaalsContact O-OG1 3.1Å; A286-T289 PolarHBondContact O-N 3.15Å; T289-A316 WeakPolarHBondContact OG1-CB 3.47Å
290E88.9Confident95.7Very high100 Ų10028.6 Ų28.647%0.46716%0.158SC..Hα-helixtrans-88.3-24.5-176.6-63.4175.5178.600114.3R264 A286 L288R264-E290 PolarHBondContact NH1-O 3.44Å; A286-E290 PolarHBondContact O-N 2.9Å; L288-E290 PolarHBondContact O-N 3.32Å
291G90.9Very high95.8Very high5 Ų528.9 Ų28.95%0.05216%0.16CC..SBendtrans-126.9-164.1-159.700000114.5V287 K320V287-G291 WeakPolarHBondContact O-CA 3.37Å; V287-G291 PolarHBondContact O-N 3.34Å; G291-K320 PolarHBondContact O-NZ 3.25Å
292L95.6Very high95.7Very high2 Ų233.8 Ų33.81%0.0118%0.181CC..  trans44.358.8164.1-44.9-171.4000115.6L263 I266 I269 V287 L288 V294 L295 K320L263-L292 WeakPolarHBondContact O-CD2 3.44Å; I266-L292 HydrophobicContact CB-CD2 4.09Å; I266-L292 HydrophobicContact CG1-CD2 4.19Å; I269-L292 HydrophobicContact CD1-CD1 3.71Å; V287-L292 HydrophobicContact CG1-CD1 4.35Å; V287-L292 HydrophobicContact CG1-CG 4.39Å; L288-L292 HydrophobicContact CD2-CD1 3.87Å; L292-V294 VanDerWaalsContact C-N 3.3Å; L292-V294 PolarHBondContact O-N 2.87Å; L292-L295 HydrophobicContact CB-CB 4.28Å; L292-L295 PolarHBondContact O-N 3.27Å; L292-K320 PolarHBondContact O-NZ 3.3Å; L292-K320 VanDerWaalsContact O-NZ 3.12Å
293P95.5Very high95.6Very high57 Ų5730.1 Ų30.137%0.3716%0.162SC..THydrogen-bonded Turntrans-70.2-23.9-17228-35.9000114.1
294V97.4Very high95.4Very high47 Ų4732.5 Ų32.529%0.28517%0.172SC..THydrogen-bonded Turntrans-103.516.6-177-58.60000113.1R264 I266 Q267 L292 K296R264-V294 WeakPolarHBondContact O-CG2 3.4Å; I266-V294 CarbonylContact O-C 3.25Å; Q267-V294 HydrophobicContact CG-CG2 4.16Å; L292-V294 VanDerWaalsContact C-N 3.3Å; L292-V294 PolarHBondContact O-N 2.87Å; V294-K296 PolarHBondContact O-N 3.16Å
295L97.9Very high95.2Very high0 Ų032.3 Ų32.30%017%0.171CC..  trans-64.8129.2178.9-172.470.4000110.5I266 I269 L288 L292 L298 H322 M323I266-L295 HydrophobicContact CG2-CD1 3.97Å; I266-L295 WeakPolarHBondContact O-CA 3.24Å; I266-L295 PolarHBondContact O-N 3.01Å; I269-L295 HydrophobicContact CD1-CD1 4.17Å; I269-L295 HydrophobicContact CG1-CD1 4.05Å; L288-L295 HydrophobicContact CD2-CD2 3.13Å; L292-L295 HydrophobicContact CB-CB 4.28Å; L292-L295 PolarHBondContact O-N 3.27Å; L295-L298 HydrophobicContact CD2-CB 4.46Å; L295-H322 CarbonylContact O-C 3.32Å; L295-M323 HydrophobicContact CB-CE 4.1Å; L295-M323 HydrophobicContact CD2-CE 3.47Å; L295-M323 VanDerWaalsContact CD2-CE 3.47Å; L295-M323 HydrophobicContact CG-CE 3.71Å; L295-M323 HydrophobicContact CG-SD 4.42Å; L295-M323 WeakPolarHBondContact O-CA 3.44Å; L295-M323 PolarHBondContact O-N 3.49Å
296K97.5Very high95.1Very high65 Ų6535 Ų3528%0.28319%0.188SC..  trans-110-40.2-179.6-60.9177.9177.2168.20112.3Q267 V294 H322 M323 E324 K325Q267-K296 HydrophobicContact CB-CD 4.36Å; Q267-K296 HydrophobicContact CB-CG 4.46Å; Q267-K296 HydrophobicContact CG-CD 4.48Å; Q267-K296 WeakPolarHBondContact O-CA 3.41Å; Q267-K296 WeakPolarHBondContact O-CB 3.15Å; Q267-K296 PolarHBondContact O-N 3.47Å; V294-K296 PolarHBondContact O-N 3.16Å; K296-H322 WeakPolarHBondContact CA-O 3.32Å; K296-H322 HydrophobicContact CG-CB 4.37Å; K296-H322 WeakPolarHBondContact CG-O 3.31Å; K296-M323 VanDerWaalsContact O-SD 3.36Å; K296-E324 HydrophobicContact CB-CG 4.48Å; K296-E324 WeakPolarHBondContact O-CA 3.4Å; K296-E324 PolarHBondContact O-N 3.27Å; K296-K325 PolarHBondContact O-N 3.41Å
297E98.1Very high94.8Very high74 Ų7435.4 Ų35.435%0.34619%0.19SC..EExtended strand (participates in β ladder)trans-132.3129.5-175.9-55.9-169.7-163.800111.8Q267 V268 I269 K325Q267-E297 PolarHBondContact O-N 3.48Å; V268-E297 WeakPolarHBondContact CA-O 3.14Å; V268-E297 HydrophobicContact CB-CB 4.48Å; V268-E297 HydrophobicContact CG1-CB 4.18Å; V268-E297 HydrophobicContact CG2-CB 4.17Å; V268-E297 HydrophobicContact CG2-CG 4.32Å; I269-E297 PolarHBondContact N-O 3.33Å; E297-K325 CarbonylContact C-O 3.58Å; E297-K325 VanDerWaalsContact CA-O 3.31Å; E297-K325 WeakPolarHBondContact CA-O 3.37Å; E297-K325 HydrophobicContact CB-CB 4.46Å; E297-K325 HydrophobicContact CG-CB 4.08Å
298L98.3Very high94.5Very high3 Ų337.3 Ų37.32%0.01621%0.211CC..EExtended strand (participates in β ladder)trans-124.6117.9170.9178.564.4000109.5I269 L288 L295 L300 V313 V317 K325 V326 N327I269-L298 HydrophobicContact CB-CD1 3.95Å; I269-L298 HydrophobicContact CG2-CD1 3.87Å; I269-L298 WeakPolarHBondContact O-CA 3.26Å; L288-L298 HydrophobicContact CD1-CD2 3.62Å; L295-L298 HydrophobicContact CD2-CB 4.46Å; L298-L300 HydrophobicContact CD1-CD1 4.26Å; L298-L300 HydrophobicContact CD1-CD2 4.02Å; L298-L300 HydrophobicContact CD1-CG 3.91Å; L298-L300 HydrophobicContact CD2-CD1 4.14Å; L298-L300 HydrophobicContact CD2-CG 4.42Å; L298-L300 HydrophobicContact CG-CD1 4.29Å; L298-L300 HydrophobicContact CG-CG 4.03Å; L298-V313 HydrophobicContact CD2-CG1 3.71Å; L298-V317 HydrophobicContact CD2-CG1 3.9Å; L298-K325 PolarHBondContact N-O 3.46Å; L298-V326 HydrophobicContact CB-CG2 4.26Å; L298-V326 CarbonylContact O-C 3.53Å; L298-V326 VanDerWaalsContact O-CA 3.32Å; L298-V326 WeakPolarHBondContact O-CA 3.47Å; L298-N327 PolarHBondContact O-N 3.21Å
299N98.2Very high94.4Very high29 Ų2937.2 Ų37.216%0.15521%0.211CC..EExtended strand (participates in β ladder)trans-115.4114.7172.1-175.518.3000110.9I269 N270 F271 G272 S301 N327I269-N299 PolarHBondContact O-N 2.86Å; N270-N299 HydrophobicContact CB-CB 4.35Å; N270-N299 WeakPolarHBondContact OD1-CB 3.5Å; N270-N299 PolarHBondContact OD1-ND2 3.2Å; F271-N299 CarbonylContact C-O 3.21Å; F271-N299 PolarHBondContact N-O 3.11Å; G272-N299 PolarHBondContact N-O 3.38Å; N299-S301 WeakPolarHBondContact OD1-CB 3.44Å; N299-S301 PolarHBondContact OD1-N 2.91Å; N299-S301 VanDerWaalsContact OD1-N 3.09Å; N299-S301 PolarHBondContact OD1-OG 2.99Å; N299-N327 HydrophobicContact CB-CB 4.26Å; N299-N327 VanDerWaalsContact OD1-CB 3.32Å; N299-N327 WeakPolarHBondContact OD1-CB 3.37Å; N299-N327 VanDerWaalsContact OD1-CG 3.32Å; N299-N327 PolarHBondContact OD1-ND2 3.47Å
300L97.6Very high94.4Very high0 Ų032.5 Ų32.50%018%0.181CC..  trans-127.629173.8-54.2179000110.8F271 V276 L284 L298 I305 V313 N327 L328 N331F271-L300 HydrophobicContact CB-CD2 4.04Å; F271-L300 HydrophobicContact CD2-CD2 4.2Å; V276-L300 HydrophobicContact CG2-CD2 4.27Å; L284-L300 HydrophobicContact CD1-CD1 4.24Å; L284-L300 HydrophobicContact CD1-CD2 3.75Å; L298-L300 HydrophobicContact CD1-CD1 4.26Å; L298-L300 HydrophobicContact CD1-CD2 4.02Å; L298-L300 HydrophobicContact CD1-CG 3.91Å; L298-L300 HydrophobicContact CD2-CD1 4.14Å; L298-L300 HydrophobicContact CD2-CG 4.42Å; L298-L300 HydrophobicContact CG-CD1 4.29Å; L298-L300 HydrophobicContact CG-CG 4.03Å; L300-I305 HydrophobicContact CB-CD1 3.77Å; L300-I305 HydrophobicContact CD1-CD1 4.33Å; L300-V313 HydrophobicContact CD1-CG1 4.09Å; L300-V313 HydrophobicContact CD1-CG2 4.21Å; L300-N327 CarbonylContact C-O 3.24Å; L300-N327 PolarHBondContact N-O 3.21Å; L300-L328 HydrophobicContact CB-CD2 4.04Å; L300-N331 PolarHBondContact O-ND2 3.45Å
301S96.1Very high94.5Very high6 Ų630.3 Ų30.34%0.04217%0.173CC..  trans-61.5154.2175.361.20000111.7G272 D273 N299 G303 N327 N329G272-S301 CarbonylContact C-O 3.43Å; G272-S301 WeakPolarHBondContact CA-O 3.02Å; D273-S301 PolarHBondContact N-O 3.49Å; N299-S301 WeakPolarHBondContact OD1-CB 3.44Å; N299-S301 PolarHBondContact OD1-N 2.91Å; N299-S301 VanDerWaalsContact OD1-N 3.09Å; N299-S301 PolarHBondContact OD1-OG 2.99Å; S301-G303 PolarHBondContact O-N 3.13Å; S301-N327 PolarHBondContact N-O 3.25Å; S301-N329 CarbonylContact C-O 3.4Å; S301-N329 WeakPolarHBondContact CA-O 3.5Å; S301-N329 WeakPolarHBondContact CB-O 3.12Å
302F94.3Very high94.6Very high102 Ų10233.2 Ų33.245%0.44719%0.19SC..SBendtrans5343.3175.4-53.9-79.2000112.3D273 N329 G330D273-F302 VanDerWaalsContact CA-O 3.31Å; D273-F302 WeakPolarHBondContact CA-O 3.48Å; D273-F302 HydrophobicContact CB-CB 4.12Å; F302-N329 PolarHBondContact N-O 2.9Å; F302-G330 WeakPolarHBondContact CA-O 3.38Å; F302-G330 PolarHBondContact N-O 3.03Å
303G93.3Very high94.6Very high0 Ų033.1 Ų33.10%019%0.189CC..SBendtrans-109.61.1-175.500000114.1V276 R277 S301 I305 N331V276-G303 PolarHBondContact N-O 3.38Å; R277-G303 WeakPolarHBondContact CA-O 3.36Å; R277-G303 PolarHBondContact N-O 3.44Å; S301-G303 PolarHBondContact O-N 3.13Å; G303-I305 VanDerWaalsContact C-N 3.29Å; G303-I305 PolarHBondContact O-N 2.89Å; G303-N331 WeakPolarHBondContact CA-OD1 3.19Å; G303-N331 PolarHBondContact N-OD1 3.25Å
304E92.9Very high94.5Very high59 Ų5930.5 Ų30.528%0.27617%0.172SC..  trans50.848.2-169.1-67.6179.7-131.100112.6R277 N331R277-E304 IonicContact CZ-OE1 3.4Å; R277-E304 IonicContact CZ-OE2 3.91Å; R277-E304 VanDerWaalsContact CZ-OE2 3.22Å; R277-E304 IonicContact NE-OE2 3.51Å; R277-E304 IonicContact NH1-OE1 2.76Å; R277-E304 PolarHBondContact NH1-OE1 2.93Å; R277-E304 IonicContact NH1-OE2 3.08Å; R277-E304 PolarHBondContact NH1-OE2 3.05Å; R277-E304 IonicContact NH2-OE1 3.17Å; R277-E304 IonicContact NH2-OE2 2.76Å; E304-N331 PolarHBondContact N-OD1 3.24Å; E304-N331 VanDerWaalsContact N-OD1 3.11Å
305I92.8Very high94.2Very high0 Ų033.3 Ų33.30%018%0.182CC..  trans-91.6125.5179.2-57.3171.7000108.7V276 A281 L300 G303 A309 A310 L328 N331 C332V276-I305 HydrophobicContact CB-CD1 4.5Å; V276-I305 HydrophobicContact CG1-CD1 4.48Å; A281-I305 HydrophobicContact CB-CD1 3.72Å; A281-I305 HydrophobicContact CB-CG1 3.92Å; A281-I305 HydrophobicContact CB-CG2 3.95Å; L300-I305 HydrophobicContact CB-CD1 3.77Å; L300-I305 HydrophobicContact CD1-CD1 4.33Å; G303-I305 VanDerWaalsContact C-N 3.29Å; G303-I305 PolarHBondContact O-N 2.89Å; I305-A309 HydrophobicContact CG2-CB 3.65Å; I305-A310 HydrophobicContact CG2-CB 4.09Å; I305-L328 HydrophobicContact CD1-CD2 4.32Å; I305-N331 HydrophobicContact CB-CB 4.15Å; I305-N331 WeakPolarHBondContact CB-OD1 3.19Å; I305-N331 WeakPolarHBondContact CG1-OD1 3.22Å; I305-N331 PolarHBondContact N-OD1 3.43Å; I305-N331 WeakPolarHBondContact O-CB 3.06Å; I305-C332 CarbonylContact O-C 3.5Å; I305-C332 PolarHBondContact O-N 3Å
306T92.9Very high93.9Very high59 Ų5933.8 Ų33.836%0.36219%0.186SC..  trans-70.2156.3175.556.80000111.7S278 G308 A309 A310 C332S278-T306 WeakPolarHBondContact OG-CG2 3.47Å; S278-T306 PolarHBondContact OG-N 3.23Å; S278-T306 PolarHBondContact OG-OG1 3.46Å; T306-G308 PolarHBondContact O-N 3.02Å; T306-G308 VanDerWaalsContact O-N 3.13Å; T306-A309 PolarHBondContact O-N 3.44Å; T306-A310 PolarHBondContact O-N 3.02Å; T306-C332 WeakPolarHBondContact CA-O 3.47Å
307A89.4Confident93.7Very high29 Ų2930.7 Ų30.724%0.2417%0.173CC..Hα-helixtrans-46.7-44.2174.400000113.5A310 L311 C332 L333A307-A310 PolarHBondContact O-N 3.29Å; A307-L311 WeakPolarHBondContact O-CG 3.43Å; A307-L311 PolarHBondContact O-N 2.95Å; A307-C332 PolarHBondContact N-O 3.36Å; A307-L333 WeakPolarHBondContact CB-O 3.47Å
308G89.2Confident93.2Very high43 Ų4328 Ų2844%0.44316%0.16SC..Hα-helixtrans-62.2-45.1179.200000113.2T306 L311 V312T306-G308 PolarHBondContact O-N 3.02Å; T306-G308 VanDerWaalsContact O-N 3.13Å; G308-L311 PolarHBondContact O-N 2.88Å; G308-V312 WeakPolarHBondContact O-CG2 3.41Å; G308-V312 PolarHBondContact O-N 3.11Å
309A92.7Very high92.6Very high2 Ų234.7 Ų34.72%0.01720%0.196CC..Hα-helixtrans-69.7-37.4177.600000112I282 I305 T306 L311 V312 V313I282-A309 HydrophobicContact CD1-CB 4.12Å; I282-A309 HydrophobicContact CG1-CB 3.95Å; I305-A309 HydrophobicContact CG2-CB 3.65Å; T306-A309 PolarHBondContact O-N 3.44Å; A309-L311 VanDerWaalsContact C-N 3.32Å; A309-L311 PolarHBondContact O-N 3.28Å; A309-V312 WeakPolarHBondContact O-CB 3.22Å; A309-V312 PolarHBondContact O-N 3.08Å; A309-V312 VanDerWaalsContact O-N 3.16Å; A309-V313 PolarHBondContact O-N 3.48Å
310A92.8Very high92.2Very high0 Ų034.1 Ų34.10%019%0.192CC..Hα-helixtrans-61.6-39.4175.800000112.3I305 T306 A307 V312 V313 A314 L328 L333 L341I305-A310 HydrophobicContact CG2-CB 4.09Å; T306-A310 PolarHBondContact O-N 3.02Å; A307-A310 PolarHBondContact O-N 3.29Å; A310-V312 VanDerWaalsContact C-N 3.34Å; A310-V312 PolarHBondContact O-N 3.2Å; A310-V313 PolarHBondContact O-N 3.1Å; A310-A314 PolarHBondContact O-N 3.08Å; A310-L328 HydrophobicContact CB-CD1 4.3Å; A310-L333 HydrophobicContact CB-CD2 3.35Å; A310-L341 HydrophobicContact CB-CD1 4.38Å
311L90.8Very high91.9Very high54 Ų5439 Ų3928%0.28322%0.223SC..Hα-helixtrans-62.6-39.5173.6-71169.3000112.3A307 G308 A309 V313 A314 Q315 V340 L341 V344A307-L311 WeakPolarHBondContact O-CG 3.43Å; A307-L311 PolarHBondContact O-N 2.95Å; G308-L311 PolarHBondContact O-N 2.88Å; A309-L311 VanDerWaalsContact C-N 3.32Å; A309-L311 PolarHBondContact O-N 3.28Å; L311-V313 VanDerWaalsContact C-N 3.35Å; L311-A314 PolarHBondContact O-N 2.93Å; L311-Q315 WeakPolarHBondContact O-CB 2.97Å; L311-Q315 PolarHBondContact O-N 3.29Å; L311-V340 HydrophobicContact CD1-CG1 4.01Å; L311-V340 HydrophobicContact CD2-CB 4.42Å; L311-V340 HydrophobicContact CD2-CG1 3.68Å; L311-V340 HydrophobicContact CG-CG1 4.5Å; L311-L341 HydrophobicContact CD2-CD1 3.98Å; L311-V344 HydrophobicContact CD2-CG2 4.19Å
312V94.4Very high91.7Very high67 Ų6743.3 Ų43.341%0.40624%0.243SC..Hα-helixtrans-63.8-41.8175.5177.30000110.8A285 G308 A309 A310 Q315 A316A285-V312 HydrophobicContact CB-CG1 3.73Å; G308-V312 WeakPolarHBondContact O-CG2 3.41Å; G308-V312 PolarHBondContact O-N 3.11Å; A309-V312 WeakPolarHBondContact O-CB 3.22Å; A309-V312 PolarHBondContact O-N 3.08Å; A309-V312 VanDerWaalsContact O-N 3.16Å; A310-V312 VanDerWaalsContact C-N 3.34Å; A310-V312 PolarHBondContact O-N 3.2Å; V312-Q315 PolarHBondContact O-N 3.41Å; V312-A316 WeakPolarHBondContact O-CB 3.5Å; V312-A316 PolarHBondContact O-N 3.31Å
313V95.1Very high91.7Very high0 Ų039.3 Ų39.30%023%0.226CC..Hα-helixtrans-62.3-47.8174.1173.80000111A281 A285 L298 L300 A309 A310 L311 Q315 A316 V317 L328A281-V313 HydrophobicContact CB-CG2 4.03Å; A285-V313 HydrophobicContact CB-CG2 4.17Å; L298-V313 HydrophobicContact CD2-CG1 3.71Å; L300-V313 HydrophobicContact CD1-CG1 4.09Å; L300-V313 HydrophobicContact CD1-CG2 4.21Å; A309-V313 PolarHBondContact O-N 3.48Å; A310-V313 PolarHBondContact O-N 3.1Å; L311-V313 VanDerWaalsContact C-N 3.35Å; V313-Q315 VanDerWaalsContact C-N 3.35Å; V313-Q315 PolarHBondContact O-N 2.8Å; V313-A316 PolarHBondContact O-N 3.38Å; V313-A316 VanDerWaalsContact O-N 3.15Å; V313-V317 PolarHBondContact O-N 2.82Å; V313-L328 HydrophobicContact CG1-CD2 4.31Å
314A92Very high91.7Very high1 Ų144.9 Ų44.91%0.00825%0.252CS..Hα-helixtrans-57.1-48.3178.100000111.1A310 L311 A316 V317 M318 L341 L345A310-A314 PolarHBondContact O-N 3.08Å; L311-A314 PolarHBondContact O-N 2.93Å; A314-A316 VanDerWaalsContact C-N 3.29Å; A314-A316 PolarHBondContact O-N 2.96Å; A314-V317 WeakPolarHBondContact O-CG2 3.32Å; A314-V317 PolarHBondContact O-N 2.97Å; A314-V317 VanDerWaalsContact O-N 3.16Å; A314-M318 VanDerWaalsContact O-CG 3.28Å; A314-M318 WeakPolarHBondContact O-CG 3.44Å; A314-M318 PolarHBondContact O-N 3.35Å; A314-M318 VanDerWaalsContact O-N 3.15Å; A314-L341 HydrophobicContact CB-CD1 3.64Å; A314-L345 HydrophobicContact CB-CD2 4.41Å
315Q91Very high91.8Very high107 Ų10746.6 Ų46.650%0.526%0.258SS..Hα-helixtrans-58.2-40.4176.7-174.965.256.800112.6L311 V312 V313 V317 M318L311-Q315 WeakPolarHBondContact O-CB 2.97Å; L311-Q315 PolarHBondContact O-N 3.29Å; V312-Q315 PolarHBondContact O-N 3.41Å; V313-Q315 VanDerWaalsContact C-N 3.35Å; V313-Q315 PolarHBondContact O-N 2.8Å; Q315-V317 VanDerWaalsContact C-N 3.27Å; Q315-V317 PolarHBondContact O-N 3.44Å; Q315-M318 HydrophobicContact CB-CE 4.27Å; Q315-M318 HydrophobicContact CG-CE 4.28Å; Q315-M318 PolarHBondContact O-N 2.95Å
316A93.2Very high91.9Very high10 Ų1046.6 Ų46.68%0.08326%0.259CS..Hα-helixtrans-68.4-23.1-179.400000114.1A285 L288 T289 V312 V313 A314A285-A316 HydrophobicContact CB-CB 3.89Å; A285-A316 WeakPolarHBondContact O-CB 3.45Å; L288-A316 HydrophobicContact CB-CB 3.94Å; T289-A316 WeakPolarHBondContact OG1-CB 3.47Å; V312-A316 WeakPolarHBondContact O-CB 3.5Å; V312-A316 PolarHBondContact O-N 3.31Å; V313-A316 PolarHBondContact O-N 3.38Å; V313-A316 VanDerWaalsContact O-N 3.15Å; A314-A316 VanDerWaalsContact C-N 3.29Å; A314-A316 PolarHBondContact O-N 2.96Å
317V93Very high92Very high0 Ų045 Ų450%025%0.248CC..Hα-helixtrans-95.7-16.2178.2-62.80000113.5L288 L298 V313 A314 Q315 D319 K320 M323 V326 M353L288-V317 HydrophobicContact CD1-CG1 4.06Å; L298-V317 HydrophobicContact CD2-CG1 3.9Å; V313-V317 PolarHBondContact O-N 2.82Å; A314-V317 WeakPolarHBondContact O-CG2 3.32Å; A314-V317 PolarHBondContact O-N 2.97Å; A314-V317 VanDerWaalsContact O-N 3.16Å; Q315-V317 VanDerWaalsContact C-N 3.27Å; Q315-V317 PolarHBondContact O-N 3.44Å; V317-D319 VanDerWaalsContact C-N 3.29Å; V317-D319 PolarHBondContact O-N 3.06Å; V317-K320 VanDerWaalsContact O-CB 3.28Å; V317-K320 WeakPolarHBondContact O-CB 3.26Å; V317-K320 WeakPolarHBondContact O-CG 3.17Å; V317-K320 PolarHBondContact O-N 3.18Å; V317-K320 VanDerWaalsContact O-N 3.11Å; V317-M323 HydrophobicContact CB-CE 3.71Å; V317-M323 HydrophobicContact CB-CG 4.41Å; V317-M323 HydrophobicContact CG1-CE 3.57Å; V317-V326 HydrophobicContact CB-CG2 4.1Å; V317-V326 HydrophobicContact CG1-CG2 4.16Å; V317-V326 HydrophobicContact CG2-CG2 3.75Å; V317-M353 HydrophobicContact CG2-CE 3.87Å
318M87Confident92.2Very high18 Ų1843.6 Ų43.69%0.08924%0.236CC..Hα-helixtrans-60.2-37-175.7-77.3-159.4-70.400112.9A314 Q315 K320 V344 L345 V348 K350A314-M318 VanDerWaalsContact O-CG 3.28Å; A314-M318 WeakPolarHBondContact O-CG 3.44Å; A314-M318 PolarHBondContact O-N 3.35Å; A314-M318 VanDerWaalsContact O-N 3.15Å; Q315-M318 HydrophobicContact CB-CE 4.27Å; Q315-M318 HydrophobicContact CG-CE 4.28Å; Q315-M318 PolarHBondContact O-N 2.95Å; M318-K320 VanDerWaalsContact C-N 3.27Å; M318-K320 PolarHBondContact O-N 3.49Å; M318-V344 HydrophobicContact CE-CG1 3.67Å; M318-V344 HydrophobicContact SD-CG1 3.71Å; M318-L345 HydrophobicContact CG-CD2 3.85Å; M318-L345 HydrophobicContact SD-CD2 4.19Å; M318-V348 HydrophobicContact CG-CG2 4.21Å; M318-V348 HydrophobicContact SD-CB 4.32Å; M318-V348 HydrophobicContact SD-CG1 3.73Å; M318-V348 HydrophobicContact SD-CG2 3.62Å; M318-K350 PolarHBondContact O-NZ 3.49Å
319D84.9Confident92.2Very high142 Ų14242.7 Ų42.776%0.75922%0.221SC*.THydrogen-bonded Turntrans-85.84.3-178.5-64-33.5000113.6V317V317-D319 VanDerWaalsContact C-N 3.29Å; V317-D319 PolarHBondContact O-N 3.06Å
320K90.9Very high92Very high17 Ų1743 Ų437%0.07422%0.224CC..  trans-76.3123.6177.8-64.4-70174.9-165.20110.6L288 G291 L292 V317 M318 H322 M323 K350L288-K320 WeakPolarHBondContact O-CE 3.46Å; L288-K320 PolarHBondContact O-NZ 3.39Å; G291-K320 PolarHBondContact O-NZ 3.25Å; L292-K320 PolarHBondContact O-NZ 3.3Å; L292-K320 VanDerWaalsContact O-NZ 3.12Å; V317-K320 VanDerWaalsContact O-CB 3.28Å; V317-K320 WeakPolarHBondContact O-CB 3.26Å; V317-K320 WeakPolarHBondContact O-CG 3.17Å; V317-K320 PolarHBondContact O-N 3.18Å; V317-K320 VanDerWaalsContact O-N 3.11Å; M318-K320 VanDerWaalsContact C-N 3.27Å; M318-K320 PolarHBondContact O-N 3.49Å; K320-H322 VanDerWaalsContact C-N 3.32Å; K320-H322 PolarHBondContact O-N 3.39Å; K320-M323 HydrophobicContact CB-CB 3.71Å; K320-M323 HydrophobicContact CB-CE 4.07Å; K320-M323 HydrophobicContact CG-CE 3.88Å; K320-K350 PolarHBondContact O-NZ 2.99Å
321P90.1Very high91.9Very high102 Ų10243 Ų4366%0.66223%0.225SC*.THydrogen-bonded Turntrans-74-23.9-174.928.3-34.5000113.2
322H93.6Very high91.9Very high98 Ų9841.7 Ų41.745%0.45422%0.219SC..THydrogen-bonded Turntrans-110.47.4-175.7-60.8-60.5000113.3L295 K296 K320 E324L295-H322 CarbonylContact O-C 3.32Å; K296-H322 WeakPolarHBondContact CA-O 3.32Å; K296-H322 HydrophobicContact CG-CB 4.37Å; K296-H322 WeakPolarHBondContact CG-O 3.31Å; K320-H322 VanDerWaalsContact C-N 3.32Å; K320-H322 PolarHBondContact O-N 3.39Å; H322-E324 PolarHBondContact O-N 2.89Å
323M94.4Very high91.5Very high17 Ų1739.1 Ų39.18%0.08420%0.203CC..  trans-70122.9-178.4-170.768.866.300110.3L295 K296 V317 K320 V326 M353L295-M323 HydrophobicContact CB-CE 4.1Å; L295-M323 HydrophobicContact CD2-CE 3.47Å; L295-M323 VanDerWaalsContact CD2-CE 3.47Å; L295-M323 HydrophobicContact CG-CE 3.71Å; L295-M323 HydrophobicContact CG-SD 4.42Å; L295-M323 WeakPolarHBondContact O-CA 3.44Å; L295-M323 PolarHBondContact O-N 3.49Å; K296-M323 VanDerWaalsContact O-SD 3.36Å; V317-M323 HydrophobicContact CB-CE 3.71Å; V317-M323 HydrophobicContact CB-CG 4.41Å; V317-M323 HydrophobicContact CG1-CE 3.57Å; K320-M323 HydrophobicContact CB-CB 3.71Å; K320-M323 HydrophobicContact CB-CE 4.07Å; K320-M323 HydrophobicContact CG-CE 3.88Å; M323-V326 HydrophobicContact CE-CG2 4.47Å; M323-V326 HydrophobicContact CG-CG2 3.9Å; M323-V326 HydrophobicContact SD-CG2 3.71Å; M323-M353 HydrophobicContact CB-SD 3.97Å; M323-M353 HydrophobicContact CG-CG 3.97Å; M323-M353 HydrophobicContact CG-SD 3.32Å; M323-M353 WeakPolarHBondContact CG-SD 3.23Å
324E93.1Very high90.9Very high117 Ų11741 Ų4155%0.54722%0.222SC..  trans-109.1-37-178.1-68.5169.1-157.800110.6K296 H322K296-E324 HydrophobicContact CB-CG 4.48Å; K296-E324 WeakPolarHBondContact O-CA 3.4Å; K296-E324 PolarHBondContact O-N 3.27Å; H322-E324 PolarHBondContact O-N 2.89Å
325K93.8Very high90.2Very high95 Ų9547.9 Ų47.941%0.41325%0.254SS..EExtended strand (participates in β ladder)trans-145.8128.7-173.4-171.8178.5178.8-179.30113.1K296 E297 L298 M353K296-K325 PolarHBondContact O-N 3.41Å; E297-K325 CarbonylContact C-O 3.58Å; E297-K325 VanDerWaalsContact CA-O 3.31Å; E297-K325 WeakPolarHBondContact CA-O 3.37Å; E297-K325 HydrophobicContact CB-CB 4.46Å; E297-K325 HydrophobicContact CG-CB 4.08Å; L298-K325 PolarHBondContact N-O 3.46Å; K325-M353 CarbonylContact C-O 3.11Å; K325-M353 WeakPolarHBondContact CA-O 3.22Å
326V95.2Very high89.7Confident1 Ų149 Ų491%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-124122.7166.5176.70000109.6L298 V317 M323 L328 M353 L354 A355L298-V326 HydrophobicContact CB-CG2 4.26Å; L298-V326 CarbonylContact O-C 3.53Å; L298-V326 VanDerWaalsContact O-CA 3.32Å; L298-V326 WeakPolarHBondContact O-CA 3.47Å; V317-V326 HydrophobicContact CB-CG2 4.1Å; V317-V326 HydrophobicContact CG1-CG2 4.16Å; V317-V326 HydrophobicContact CG2-CG2 3.75Å; M323-V326 HydrophobicContact CE-CG2 4.47Å; M323-V326 HydrophobicContact CG-CG2 3.9Å; M323-V326 HydrophobicContact SD-CG2 3.71Å; V326-L328 HydrophobicContact CG1-CD1 4.07Å; V326-L328 HydrophobicContact CG1-CG 4.07Å; V326-M353 HydrophobicContact CB-CE 4.33Å; V326-M353 HydrophobicContact CG2-CE 4Å; V326-M353 HydrophobicContact CG2-CG 4.29Å; V326-M353 HydrophobicContact CG2-SD 4.2Å; V326-M353 PolarHBondContact N-O 3.05Å; V326-L354 WeakPolarHBondContact O-CA 3.46Å; V326-A355 PolarHBondContact O-N 3.4Å
327N94.7Very high89.1Confident25 Ų2549 Ų4913%0.13427%0.265CS..EExtended strand (participates in β ladder)trans-113.6114.8178.6-175.512.4000110.5L298 N299 L300 S301 N329 A355L298-N327 PolarHBondContact O-N 3.21Å; N299-N327 HydrophobicContact CB-CB 4.26Å; N299-N327 VanDerWaalsContact OD1-CB 3.32Å; N299-N327 WeakPolarHBondContact OD1-CB 3.37Å; N299-N327 VanDerWaalsContact OD1-CG 3.32Å; N299-N327 PolarHBondContact OD1-ND2 3.47Å; L300-N327 CarbonylContact C-O 3.24Å; L300-N327 PolarHBondContact N-O 3.21Å; S301-N327 PolarHBondContact N-O 3.25Å; N327-N329 VanDerWaalsContact OD1-CB 3.25Å; N327-N329 WeakPolarHBondContact OD1-CB 3.39Å; N327-N329 PolarHBondContact OD1-N 3.36Å; N327-A355 HydrophobicContact CB-CB 3.72Å
328L93.8Very high88.7Confident0 Ų049.5 Ų49.50%027%0.268CS..  trans-121.318.1177.3-69.7166.4000111.4L300 I305 A310 V313 V326 N331 L341L300-L328 HydrophobicContact CB-CD2 4.04Å; I305-L328 HydrophobicContact CD1-CD2 4.32Å; A310-L328 HydrophobicContact CB-CD1 4.3Å; V313-L328 HydrophobicContact CG1-CD2 4.31Å; V326-L328 HydrophobicContact CG1-CD1 4.07Å; V326-L328 HydrophobicContact CG1-CG 4.07Å; L328-N331 VanDerWaalsContact C-ND2 3.34Å; L328-N331 PolarHBondContact O-ND2 2.89Å; L328-L341 HydrophobicContact CB-CD2 4.45Å; L328-L341 HydrophobicContact CD1-CD1 4.27Å; L328-L341 HydrophobicContact CD1-CD2 3.92Å
329N90.3Very high88.5Confident23 Ų2352.3 Ų52.312%0.12328%0.283CS..  trans-63.9151.8-177.3-16833.4000113.2S301 F302 N327 N331 S356 L357 S358S301-N329 CarbonylContact C-O 3.4Å; S301-N329 WeakPolarHBondContact CA-O 3.5Å; S301-N329 WeakPolarHBondContact CB-O 3.12Å; F302-N329 PolarHBondContact N-O 2.9Å; N327-N329 VanDerWaalsContact OD1-CB 3.25Å; N327-N329 WeakPolarHBondContact OD1-CB 3.39Å; N327-N329 PolarHBondContact OD1-N 3.36Å; N329-N331 VanDerWaalsContact C-N 3.32Å; N329-N331 PolarHBondContact O-N 3.42Å; N329-S356 WeakPolarHBondContact CB-O 3.43Å; N329-S356 PolarHBondContact OD1-O 2.83Å; N329-L357 WeakPolarHBondContact OD1-CA 3.43Å; N329-S358 PolarHBondContact ND2-OG 3.1Å; N329-S358 PolarHBondContact OD1-N 3.1Å; N329-S358 PolarHBondContact OD1-OG 3.13Å
330G87.2Confident88.4Confident8 Ų848.4 Ų48.48%0.08226%0.264CS..SBendtrans6436.8176.600000113.3F302 D360F302-G330 WeakPolarHBondContact CA-O 3.38Å; F302-G330 PolarHBondContact N-O 3.03Å; G330-D360 WeakPolarHBondContact CA-OD2 3.39Å
331N92Very high88.1Confident2 Ų247.7 Ų47.71%0.01126%0.261CS..SBendtrans-113.8165174.2-81.8-58.3000109L300 G303 E304 I305 L328 N329 L333 D360L300-N331 PolarHBondContact O-ND2 3.45Å; G303-N331 WeakPolarHBondContact CA-OD1 3.19Å; G303-N331 PolarHBondContact N-OD1 3.25Å; E304-N331 PolarHBondContact N-OD1 3.24Å; E304-N331 VanDerWaalsContact N-OD1 3.11Å; I305-N331 HydrophobicContact CB-CB 4.15Å; I305-N331 WeakPolarHBondContact CB-OD1 3.19Å; I305-N331 WeakPolarHBondContact CG1-OD1 3.22Å; I305-N331 PolarHBondContact N-OD1 3.43Å; I305-N331 WeakPolarHBondContact O-CB 3.06Å; L328-N331 VanDerWaalsContact C-ND2 3.34Å; L328-N331 PolarHBondContact O-ND2 2.89Å; N329-N331 VanDerWaalsContact C-N 3.32Å; N329-N331 PolarHBondContact O-N 3.42Å; N331-L333 HydrophobicContact CB-CD2 4.02Å; N331-L333 HydrophobicContact CB-CG 3.99Å; N331-L333 PolarHBondContact O-N 2.99Å; N331-D360 VanDerWaalsContact C-OD2 3.27Å; N331-D360 PolarHBondContact N-OD2 3.22Å; N331-D360 VanDerWaalsContact N-OD2 3.15Å
332C90Very high87.8Confident25 Ų2547.2 Ų47.217%0.16925%0.246CC..SBendtrans-73.859.6179.8-49.30000112.6I305 T306 A307I305-C332 CarbonylContact O-C 3.5Å; I305-C332 PolarHBondContact O-N 3Å; T306-C332 WeakPolarHBondContact CA-O 3.47Å; A307-C332 PolarHBondContact N-O 3.36Å
333L86.1Confident87.2Confident14 Ų1448 Ų487%0.07325%0.251CS..  trans-87.6-35.3-176.7-53.2-176.2000112.1A307 A310 N331 G337 L341 L357A307-L333 WeakPolarHBondContact CB-O 3.47Å; A310-L333 HydrophobicContact CB-CD2 3.35Å; N331-L333 HydrophobicContact CB-CD2 4.02Å; N331-L333 HydrophobicContact CB-CG 3.99Å; N331-L333 PolarHBondContact O-N 2.99Å; L333-G337 VanDerWaalsContact O-CA 3.28Å; L333-G337 WeakPolarHBondContact O-CA 3.46Å; L333-G337 PolarHBondContact O-N 3.24Å; L333-L341 HydrophobicContact CD1-CD2 4.45Å; L333-L357 HydrophobicContact CD1-CD1 4.35Å; L333-L357 HydrophobicContact CD1-CD2 4.06Å
334G82.4Confident86.6Confident38 Ų3849 Ų4939%0.39226%0.258SS..Hα-helixtrans65.1171.3-166.600000113G337 C338G334-G337 PolarHBondContact O-N 2.98Å; G334-C338 PolarHBondContact O-N 3.02Å; G334-C338 PolarHBondContact O-SG 2.91Å
335E76.9Confident85.8Confident146 Ų14643.6 Ų43.668%0.68223%0.232SC*.Hα-helixtrans-60.5-52.2-178.6-168.5177.8-176.800111.2G337 C338 D339E335-G337 VanDerWaalsContact C-N 3.31Å; E335-G337 PolarHBondContact O-N 3.49Å; E335-C338 WeakPolarHBondContact O-CB 3.41Å; E335-C338 PolarHBondContact O-N 2.86Å; E335-C338 VanDerWaalsContact O-N 3.14Å; E335-D339 PolarHBondContact O-N 2.62Å
336D81Confident85.1Confident131 Ų13143.2 Ų43.270%0.70124%0.235SC*.Hα-helixtrans-57.3-41.2177.3-68.1-15.4000112.4D339 V340D336-D339 PolarHBondContact O-N 2.77Å; D336-V340 VanDerWaalsContact O-CG2 3.3Å; D336-V340 WeakPolarHBondContact O-CG2 3.48Å; D336-V340 PolarHBondContact O-N 2.66Å
337G81.3Confident83.9Confident10 Ų1048.7 Ų48.710%0.10326%0.264CS..Hα-helixtrans-69.1-34.8-179.900000112.6L333 G334 E335 L341L333-G337 VanDerWaalsContact O-CA 3.28Å; L333-G337 WeakPolarHBondContact O-CA 3.46Å; L333-G337 PolarHBondContact O-N 3.24Å; G334-G337 PolarHBondContact O-N 2.98Å; E335-G337 VanDerWaalsContact C-N 3.31Å; E335-G337 PolarHBondContact O-N 3.49Å; G337-L341 WeakPolarHBondContact O-CB 3.41Å; G337-L341 PolarHBondContact O-N 3.25Å
338C83.5Confident82.5Confident10 Ų1050.4 Ų50.47%0.06828%0.275CS..Hα-helixtrans-65.8-42.1173.6-67.40000111.7G334 E335 L341 R342 L357G334-C338 PolarHBondContact O-N 3.02Å; G334-C338 PolarHBondContact O-SG 2.91Å; E335-C338 WeakPolarHBondContact O-CB 3.41Å; E335-C338 PolarHBondContact O-N 2.86Å; E335-C338 VanDerWaalsContact O-N 3.14Å; C338-L341 PolarHBondContact O-N 3.06Å; C338-R342 WeakPolarHBondContact O-CG 3.47Å; C338-R342 PolarHBondContact O-N 3.1Å; C338-L357 HydrophobicContact CB-CD1 3.79Å
339D82.5Confident81.1Confident77 Ų7759.4 Ų59.441%0.41232%0.317SS..Hα-helixtrans-62.9-46.8177.1-80-21.8000111.9E335 D336 L341 R342 E343E335-D339 PolarHBondContact O-N 2.62Å; D336-D339 PolarHBondContact O-N 2.77Å; D339-L341 VanDerWaalsContact C-N 3.33Å; D339-L341 PolarHBondContact O-N 3.05Å; D339-R342 PolarHBondContact O-N 2.62Å; D339-R342 IonicContact OD1-CZ 2.76Å; D339-R342 IonicContact OD1-NE 2.75Å; D339-R342 IonicContact OD1-NH2 2.74Å; D339-R342 PolarHBondContact OD1-NH2 3.05Å; D339-E343 WeakPolarHBondContact O-CB 3.21Å; D339-E343 PolarHBondContact O-N 3.4Å
340V83.8Confident80.2Confident60 Ų6060.9 Ų60.936%0.36432%0.322SS..Hα-helixtrans-63.6-40177.6179.20000111.1L311 D336 R342 E343 V344L311-V340 HydrophobicContact CD1-CG1 4.01Å; L311-V340 HydrophobicContact CD2-CB 4.42Å; L311-V340 HydrophobicContact CD2-CG1 3.68Å; L311-V340 HydrophobicContact CG-CG1 4.5Å; D336-V340 VanDerWaalsContact O-CG2 3.3Å; D336-V340 WeakPolarHBondContact O-CG2 3.48Å; D336-V340 PolarHBondContact O-N 2.66Å; V340-R342 VanDerWaalsContact C-N 3.35Å; V340-R342 PolarHBondContact O-N 2.82Å; V340-E343 PolarHBondContact O-N 2.94Å; V340-V344 HydrophobicContact CG1-CG2 4.33Å; V340-V344 WeakPolarHBondContact O-CB 3.3Å; V340-V344 VanDerWaalsContact O-CG2 3.27Å; V340-V344 WeakPolarHBondContact O-CG2 3.45Å; V340-V344 PolarHBondContact O-N 3.37Å
341L84.6Confident79Confident2 Ų261.7 Ų61.71%0.0133%0.33CS..Hα-helixtrans-63.5-41.5177.9-16280.6000111.7A310 L311 A314 L328 L333 G337 C338 D339 L345 L354 L357A310-L341 HydrophobicContact CB-CD1 4.38Å; L311-L341 HydrophobicContact CD2-CD1 3.98Å; A314-L341 HydrophobicContact CB-CD1 3.64Å; L328-L341 HydrophobicContact CB-CD2 4.45Å; L328-L341 HydrophobicContact CD1-CD1 4.27Å; L328-L341 HydrophobicContact CD1-CD2 3.92Å; L333-L341 HydrophobicContact CD1-CD2 4.45Å; G337-L341 WeakPolarHBondContact O-CB 3.41Å; G337-L341 PolarHBondContact O-N 3.25Å; C338-L341 PolarHBondContact O-N 3.06Å; D339-L341 VanDerWaalsContact C-N 3.33Å; D339-L341 PolarHBondContact O-N 3.05Å; L341-L345 WeakPolarHBondContact O-CG 3.33Å; L341-L345 PolarHBondContact O-N 3.17Å; L341-L354 HydrophobicContact CD2-CD1 3.74Å; L341-L354 HydrophobicContact CD2-CD2 3.92Å; L341-L354 HydrophobicContact CD2-CG 4.5Å; L341-L354 HydrophobicContact CG-CD2 4.36Å; L341-L357 HydrophobicContact CD2-CD1 4.01Å; L341-L357 HydrophobicContact CD2-CD2 4.41Å
342R83.5Confident78Confident92 Ų9271.1 Ų71.135%0.34737%0.374SS..Hα-helixtrans-62.4-49.4173.9-77-175.2-75.8-96.96.2111C338 D339 V340 V344 L345 D346 L354C338-R342 WeakPolarHBondContact O-CG 3.47Å; C338-R342 PolarHBondContact O-N 3.1Å; D339-R342 PolarHBondContact O-N 2.62Å; D339-R342 IonicContact OD1-CZ 2.76Å; D339-R342 IonicContact OD1-NE 2.75Å; D339-R342 IonicContact OD1-NH2 2.74Å; D339-R342 PolarHBondContact OD1-NH2 3.05Å; V340-R342 VanDerWaalsContact C-N 3.35Å; V340-R342 PolarHBondContact O-N 2.82Å; R342-V344 VanDerWaalsContact C-N 3.33Å; R342-V344 PolarHBondContact O-N 3.22Å; R342-L345 PolarHBondContact O-N 3.28Å; R342-D346 VanDerWaalsContact O-CB 3.31Å; R342-D346 WeakPolarHBondContact O-CB 3.48Å; R342-D346 VanDerWaalsContact O-CG 3.3Å; R342-D346 PolarHBondContact O-N 3.25Å; R342-L354 HydrophobicContact CG-CD2 4.16Å
343E82.2Confident77.5Confident116 Ų11670.4 Ų70.454%0.54237%0.368SS..Hα-helixtrans-57.9-44.8179.8-172.3-175.8172.700111.8D339 V340 L345 D346 N347D339-E343 WeakPolarHBondContact O-CB 3.21Å; D339-E343 PolarHBondContact O-N 3.4Å; V340-E343 PolarHBondContact O-N 2.94Å; E343-L345 VanDerWaalsContact C-N 3.33Å; E343-L345 PolarHBondContact O-N 2.99Å; E343-D346 PolarHBondContact O-N 3.44Å; E343-N347 VanDerWaalsContact O-CB 3.25Å; E343-N347 WeakPolarHBondContact O-CB 3.49Å; E343-N347 PolarHBondContact O-N 3.03Å; E343-N347 PolarHBondContact O-ND2 2.97Å; E343-N347 VanDerWaalsContact O-ND2 3.11Å
344V80.6Confident77.1Confident38 Ų3870.9 Ų70.923%0.2337%0.371CS..Hα-helixtrans-60-42.4178.3168.20000111.7L311 M318 V340 R342L311-V344 HydrophobicContact CD2-CG2 4.19Å; M318-V344 HydrophobicContact CE-CG1 3.67Å; M318-V344 HydrophobicContact SD-CG1 3.71Å; V340-V344 HydrophobicContact CG1-CG2 4.33Å; V340-V344 WeakPolarHBondContact O-CB 3.3Å; V340-V344 VanDerWaalsContact O-CG2 3.27Å; V340-V344 WeakPolarHBondContact O-CG2 3.45Å; V340-V344 PolarHBondContact O-N 3.37Å; R342-V344 VanDerWaalsContact C-N 3.33Å; R342-V344 PolarHBondContact O-N 3.22Å
345L77.1Confident76.6Confident2 Ų270 Ų701%0.0136%0.36CS..Hα-helixtrans-80.3-31.4-178.7-66.4179.5000113.2A314 M318 L341 R342 E343 V348 K350 G351 M353 L354A314-L345 HydrophobicContact CB-CD2 4.41Å; M318-L345 HydrophobicContact CG-CD2 3.85Å; M318-L345 HydrophobicContact SD-CD2 4.19Å; L341-L345 WeakPolarHBondContact O-CG 3.33Å; L341-L345 PolarHBondContact O-N 3.17Å; R342-L345 PolarHBondContact O-N 3.28Å; E343-L345 VanDerWaalsContact C-N 3.33Å; E343-L345 PolarHBondContact O-N 2.99Å; L345-V348 WeakPolarHBondContact O-CG2 3.26Å; L345-V348 PolarHBondContact O-N 3.07Å; L345-K350 CarbonylContact O-C 3.56Å; L345-K350 WeakPolarHBondContact O-CA 3.25Å; L345-K350 PolarHBondContact O-N 3.45Å; L345-G351 PolarHBondContact O-N 3.4Å; L345-M353 HydrophobicContact CD1-CE 4.05Å; L345-M353 HydrophobicContact CD2-CE 3.48Å; L345-M353 VanDerWaalsContact CD2-CE 3.48Å; L345-M353 HydrophobicContact CG-CE 4.39Å; L345-L354 HydrophobicContact CD1-CB 3.69Å; L345-L354 HydrophobicContact CD1-CD1 3.87Å; L345-L354 HydrophobicContact CD1-CD2 4.01Å; L345-L354 HydrophobicContact CD1-CG 4.04Å
346D78.2Confident76.6Confident88 Ų8867.8 Ų67.847%0.47136%0.361SS..Hα-helixtrans-69.4-38.5174.5-75.9-19.3000111.6R342 E343 V348 H349 G351R342-D346 VanDerWaalsContact O-CB 3.31Å; R342-D346 WeakPolarHBondContact O-CB 3.48Å; R342-D346 VanDerWaalsContact O-CG 3.3Å; R342-D346 PolarHBondContact O-N 3.25Å; E343-D346 PolarHBondContact O-N 3.44Å; D346-V348 PolarHBondContact O-N 3.35Å; D346-V348 VanDerWaalsContact O-N 3.1Å; D346-H349 PolarHBondContact O-N 3.21Å; D346-G351 WeakPolarHBondContact OD1-CA 3.42Å
347N69.8Low76.2Confident115 Ų11562.9 Ų62.962%0.61533%0.334SS*.THydrogen-bonded Turntrans-60.6-19.8176.7-78.7-26.1000113.4E343E343-N347 VanDerWaalsContact O-CB 3.25Å; E343-N347 WeakPolarHBondContact O-CB 3.49Å; E343-N347 PolarHBondContact O-N 3.03Å; E343-N347 PolarHBondContact O-ND2 2.97Å; E343-N347 VanDerWaalsContact O-ND2 3.11Å
348V66.7Low75.5Confident62 Ų6265.3 Ų65.338%0.37635%0.35SS..THydrogen-bonded Turntrans-106.313.9175-62.70000113.5M318 L345 D346 K350M318-V348 HydrophobicContact CG-CG2 4.21Å; M318-V348 HydrophobicContact SD-CB 4.32Å; M318-V348 HydrophobicContact SD-CG1 3.73Å; M318-V348 HydrophobicContact SD-CG2 3.62Å; L345-V348 WeakPolarHBondContact O-CG2 3.26Å; L345-V348 PolarHBondContact O-N 3.07Å; D346-V348 PolarHBondContact O-N 3.35Å; D346-V348 VanDerWaalsContact O-N 3.1Å; V348-K350 HydrophobicContact CG2-CB 3.94Å; V348-K350 HydrophobicContact CG2-CD 4.32Å; V348-K350 HydrophobicContact CG2-CG 4.1Å; V348-K350 PolarHBondContact O-N 3.02Å
349H64Low74.1Confident189 Ų18973.1 Ų73.188%0.87539%0.385SS*.THydrogen-bonded Turntrans56.128.9-175.1-56.4-53.2000114D346D346-H349 PolarHBondContact O-N 3.21Å
350K70.1Confident72.6Confident54 Ų5472.2 Ų72.224%0.23538%0.38CS..  trans-114.625.7177.1-64.8-173.4167.9-172.40112.6M318 K320 L345 V348 E352 M353M318-K350 PolarHBondContact O-NZ 3.49Å; K320-K350 PolarHBondContact O-NZ 2.99Å; L345-K350 CarbonylContact O-C 3.56Å; L345-K350 WeakPolarHBondContact O-CA 3.25Å; L345-K350 PolarHBondContact O-N 3.45Å; V348-K350 HydrophobicContact CG2-CB 3.94Å; V348-K350 HydrophobicContact CG2-CD 4.32Å; V348-K350 HydrophobicContact CG2-CG 4.1Å; V348-K350 PolarHBondContact O-N 3.02Å; K350-E352 PolarHBondContact O-N 2.98Å; K350-M353 HydrophobicContact CB-CB 4.16Å; K350-M353 HydrophobicContact CB-SD 4.43Å; K350-M353 HydrophobicContact CD-SD 4.09Å; K350-M353 WeakPolarHBondContact O-CB 3.45Å; K350-M353 PolarHBondContact O-N 3.38Å
351G63.2Low70.7Confident24 Ų2478.3 Ų78.325%0.24741%0.405CS..G310 helixtrans-53.4-38.617600000113.7L345 D346 M353 L354L345-G351 PolarHBondContact O-N 3.4Å; D346-G351 WeakPolarHBondContact OD1-CA 3.42Å; G351-M353 PolarHBondContact O-N 3.35Å; G351-L354 PolarHBondContact O-N 3.26Å
352E71.3Confident69Low201 Ų20180 Ų8094%0.93942%0.423SS*.G310 helixtrans-68.4-14.7178.1-60.8-175.3172.800114K350 L354K350-E352 PolarHBondContact O-N 2.98Å; E352-L354 VanDerWaalsContact C-N 3.34Å
353M79.6Confident67.3Low9 Ų983.9 Ų83.94%0.04445%0.445CS..G310 helixtrans-72.8-28.7176.9-173.2-173.172.700111.7V317 M323 K325 V326 L345 K350 G351V317-M353 HydrophobicContact CG2-CE 3.87Å; M323-M353 HydrophobicContact CB-SD 3.97Å; M323-M353 HydrophobicContact CG-CG 3.97Å; M323-M353 HydrophobicContact CG-SD 3.32Å; M323-M353 WeakPolarHBondContact CG-SD 3.23Å; K325-M353 CarbonylContact C-O 3.11Å; K325-M353 WeakPolarHBondContact CA-O 3.22Å; V326-M353 HydrophobicContact CB-CE 4.33Å; V326-M353 HydrophobicContact CG2-CE 4Å; V326-M353 HydrophobicContact CG2-CG 4.29Å; V326-M353 HydrophobicContact CG2-SD 4.2Å; V326-M353 PolarHBondContact N-O 3.05Å; L345-M353 HydrophobicContact CD1-CE 4.05Å; L345-M353 HydrophobicContact CD2-CE 3.48Å; L345-M353 VanDerWaalsContact CD2-CE 3.48Å; L345-M353 HydrophobicContact CG-CE 4.39Å; K350-M353 HydrophobicContact CB-CB 4.16Å; K350-M353 HydrophobicContact CB-SD 4.43Å; K350-M353 HydrophobicContact CD-SD 4.09Å; K350-M353 WeakPolarHBondContact O-CB 3.45Å; K350-M353 PolarHBondContact O-N 3.38Å; G351-M353 PolarHBondContact O-N 3.35Å
354L76.8Confident65.7Low25 Ų2582.1 Ų82.113%0.13144%0.443CS..BIsolated β-bridgetrans-80.1122.7-177.3-171.362000109.9V326 L341 R342 L345 G351 E352 L357V326-L354 WeakPolarHBondContact O-CA 3.46Å; L341-L354 HydrophobicContact CD2-CD1 3.74Å; L341-L354 HydrophobicContact CD2-CD2 3.92Å; L341-L354 HydrophobicContact CD2-CG 4.5Å; L341-L354 HydrophobicContact CG-CD2 4.36Å; R342-L354 HydrophobicContact CG-CD2 4.16Å; L345-L354 HydrophobicContact CD1-CB 3.69Å; L345-L354 HydrophobicContact CD1-CD1 3.87Å; L345-L354 HydrophobicContact CD1-CD2 4.01Å; L345-L354 HydrophobicContact CD1-CG 4.04Å; G351-L354 PolarHBondContact O-N 3.26Å; E352-L354 VanDerWaalsContact C-N 3.34Å; L354-L357 HydrophobicContact CD1-CD2 4.45Å; L354-L357 HydrophobicContact CD2-CD1 3.89Å; L354-L357 HydrophobicContact CD2-CG 4.09Å; L354-L357 HydrophobicContact CG-CG 4.47Å
355A72Confident64Low20 Ų2086.3 Ų86.317%0.16546%0.464CS..PPolyproline II helixtrans-64.4157.417000000110.7V326 N327 L357V326-A355 PolarHBondContact O-N 3.4Å; N327-A355 HydrophobicContact CB-CB 3.72Å; A355-L357 PolarHBondContact O-N 3.45Å
356S77.6Confident62.4Low98 Ų9893 Ų9369%0.68550%0.5SS*.PPolyproline II helixtrans-50.8125.3-179.357.30000111.8N329N329-S356 WeakPolarHBondContact CB-O 3.43Å; N329-S356 PolarHBondContact OD1-O 2.83Å
357L73.1Confident60.6Low28 Ų2896.2 Ų96.215%0.14751%0.512CS..  trans-90.8111.9168-58.5-179.5000107.9N329 L333 C338 L341 L354 A355N329-L357 WeakPolarHBondContact OD1-CA 3.43Å; L333-L357 HydrophobicContact CD1-CD1 4.35Å; L333-L357 HydrophobicContact CD1-CD2 4.06Å; C338-L357 HydrophobicContact CB-CD1 3.79Å; L341-L357 HydrophobicContact CD2-CD1 4.01Å; L341-L357 HydrophobicContact CD2-CD2 4.41Å; L354-L357 HydrophobicContact CD1-CD2 4.45Å; L354-L357 HydrophobicContact CD2-CD1 3.89Å; L354-L357 HydrophobicContact CD2-CG 4.09Å; L354-L357 HydrophobicContact CG-CG 4.47Å; A355-L357 PolarHBondContact O-N 3.45Å
358S65.9Low59.3Low61 Ų6198.1 Ų98.143%0.42752%0.518SS..  trans-76.8146.7162.9510000109.4N329 D360N329-S358 PolarHBondContact ND2-OG 3.1Å; N329-S358 PolarHBondContact OD1-N 3.1Å; N329-S358 PolarHBondContact OD1-OG 3.13Å; S358-D360 PolarHBondContact O-N 3.13Å
359E53.2Low58Low174 Ų174100.2 Ų100.281%0.81353%0.527SS*.  trans-57.6109.2168.5-70.1167.7-16600108.2
360D51.2Low56.9Low58 Ų5899.1 Ų99.131%0.3152%0.522SS..  trans-97115.9177-169.10.5000108.4G330 N331 S358 G362G330-D360 WeakPolarHBondContact CA-OD2 3.39Å; N331-D360 VanDerWaalsContact C-OD2 3.27Å; N331-D360 PolarHBondContact N-OD2 3.22Å; N331-D360 VanDerWaalsContact N-OD2 3.15Å; S358-D360 PolarHBondContact O-N 3.13Å; D360-G362 VanDerWaalsContact C-N 3.27Å; D360-G362 PolarHBondContact OD1-N 2.88Å
361E45.1Very low55.7Low189 Ų189101 Ų10188%0.88354%0.535SS*.  trans-87.211.2175.5-64.6-154.8173.700112.7E363E361-E363 PolarHBondContact O-N 3.29Å
362G47.1Very low54.5Low37 Ų37105 Ų10538%0.38156%0.558SS.*  trans-66.2111.517700000112.8D360D360-G362 VanDerWaalsContact C-N 3.27Å; D360-G362 PolarHBondContact OD1-N 2.88Å
363E49.8Very low53.1Low174 Ų174103.3 Ų103.381%0.81356%0.556SS**  trans-64.8141.2158.4-68.5-173.1166.500108.4E361 D365E361-E363 PolarHBondContact O-N 3.29Å; E363-D365 PolarHBondContact O-N 2.97Å; E363-D365 VanDerWaalsContact O-N 3.08Å
364P47.9Very low51.2Low79 Ų79107.5 Ų107.551%0.51359%0.592SS.*  trans-58119.5170.324.9-31.3000107.7D366P364-D366 PolarHBondContact O-N 3.49Å
365D45Very low49.3Very low125 Ų125109.4 Ų109.467%0.66862%0.617SS**  trans-60.8111.9175.1-103.7-28.1000107.8E363 E367E363-D365 PolarHBondContact O-N 2.97Å; E363-D365 VanDerWaalsContact O-N 3.08Å; D365-E367 PolarHBondContact O-N 3.2Å
366D43.8Very low47.5Very low143 Ų143115.6 Ų115.677%0.76565%0.648SS**  trans-73.54.9173.5-86.2-30.1000111.2P364 E368P364-D366 PolarHBondContact O-N 3.49Å; D366-E368 VanDerWaalsContact C-N 3.32Å; D366-E368 PolarHBondContact O-N 3.4Å
367E39.3Very low45.4Very low156 Ų156116.4 Ų116.473%0.72965%0.653SS**  trans-67.599167.1-63.5-147.8177.700107.2D365 D369D365-E367 PolarHBondContact O-N 3.2Å; E367-D369 PolarHBondContact O-N 3.26Å
368E42.4Very low43.7Very low155 Ų155122.1 Ų122.172%0.72468%0.684SS**  trans-42.4102.5147.4-67.2-176.1-174.300105D366 E370D366-E368 VanDerWaalsContact C-N 3.32Å; D366-E368 PolarHBondContact O-N 3.4Å; E368-E370 PolarHBondContact O-N 3.06Å
369D40.7Very low42Very low105 Ų105122 Ų12256%0.56169%0.693SS**  trans-5685.2158.9-78.4-49.7000103.5R277 E367 D371R277-D369 IonicContact CZ-OD2 3.1Å; R277-D369 IonicContact NH2-OD2 3.96Å; R277-D369 PolarHBondContact NH2-OD2 2.92Å; E367-D369 PolarHBondContact O-N 3.26Å; D369-D371 PolarHBondContact O-N 3.26Å
370E41Very low41Very low166 Ų166119.3 Ų119.378%0.77669%0.693SS**  trans-53.396.5154-75.1-168166.900101.6E368 S372E368-E370 PolarHBondContact O-N 3.06Å; E370-S372 WeakPolarHBondContact O-CA 3.42Å; E370-S372 PolarHBondContact O-N 3.29Å
371D43Very low40.2Very low95 Ų95124 Ų12451%0.50872%0.718SS.*  trans-39.596.2173.1-85.4-45.7000105.2R251 D369 D373R251-D371 IonicContact NH1-OD2 2.76Å; D369-D371 PolarHBondContact O-N 3.26Å; D371-D373 VanDerWaalsContact C-N 3.32Å; D371-D373 PolarHBondContact O-N 2.7Å
372S38Very low39.6Very low106 Ų106123.1 Ų123.174%0.74171%0.714SS**  trans-68.3107.5-174.961.50000102.7E370 A374E370-S372 WeakPolarHBondContact O-CA 3.42Å; E370-S372 PolarHBondContact O-N 3.29Å; S372-A374 PolarHBondContact O-N 3.43Å
373D42.5Very low38.6Very low167 Ų167126 Ų12689%0.89373%0.727SS**  trans-55.383.2173.7-104.8-33.6000107.5D371 G375D371-D373 VanDerWaalsContact C-N 3.32Å; D371-D373 PolarHBondContact O-N 2.7Å; D373-G375 VanDerWaalsContact C-N 3.28Å; D373-G375 PolarHBondContact O-N 2.77Å
374A40.8Very low37.5Very low97 Ų97128.7 Ų128.780%0.80273%0.732SS**  trans-84.383.2177.200000107S372S372-A374 PolarHBondContact O-N 3.43Å
375G35.1Very low36.7Very low64 Ų64133.9 Ų133.966%0.6675%0.749SS**  trans92.886.7155.600000115D373 S377D373-G375 VanDerWaalsContact C-N 3.28Å; D373-G375 PolarHBondContact O-N 2.77Å; G375-S377 PolarHBondContact O-N 2.81Å
376D34.5Very low36.1Very low151 Ų151134.6 Ų134.681%0.80776%0.758SS**  trans-42.8119148.2-172.48.7000110.6D378D376-D378 PolarHBondContact OD1-N 3.4Å
377S34.3Very low35.5Very low114 Ų114131.2 Ų131.280%0.79776%0.757SS**  trans-132.279.6153.6178.60000107G375 G379G375-S377 PolarHBondContact O-N 2.81Å; S377-G379 PolarHBondContact O-N 3.03Å
378D37Very low35.1Very low148 Ų148133 Ų13379%0.79177%0.765SS**  trans-24.1123.1153.7-168.811000112.8D376D376-D378 PolarHBondContact OD1-N 3.4Å
379G31.3Very low34.3Very low59 Ų59131.8 Ų131.861%0.60877%0.772SS**  trans168.768.3-174.700000115S377S377-G379 PolarHBondContact O-N 3.03Å
380S31Very low33.7Very low117 Ų117136.5 Ų136.582%0.81879%0.791SS**  trans74.2112157.257.90000119.5
381D33.7Very low33.1Very low158 Ų158137 Ų13785%0.84579%0.793SS**  trans-41.8129.3142.9-82.3-44.7000111.1
382E32.8Very low32.3Very low170 Ų170139.1 Ų139.179%0.79480%0.803SS**  168.5134.2113.9-92.8-165.6-163.600112.7
383C26.7Very low31.7Very low97 Ų97140.4 Ų140.466%0.65581%0.806SS**  trans74.9105.4141-60.90000120.3
384Y26.4Very low31.2Very low231 Ų231142 Ų14291%0.90681%0.805SS**  trans-11979.1140.5-2.9-82.6000108.5
385E31.6Very low30.5Very low187 Ų187146.5 Ų146.587%0.87481%0.81SS**  trans-86.7115.6150.1-79-166.716500107.4G387E385-G387 PolarHBondContact O-N 2.77Å
386T33.1Very low30.1Very low140 Ų140151.3 Ų151.386%0.85982%0.82SS**  trans-73.6106166.745.60000108.3
387G29.4Very low29.8Very low72 Ų72148.2 Ų148.274%0.74282%0.824SS**  trans-72.5124.8170.800000111.7E385E385-G387 PolarHBondContact O-N 2.77Å
388E31.5Very low29.3Very low195 Ų195146.6 Ų146.691%0.91183%0.826SS**  trans-95.5126.8147.8-74.5-174.5162.600107.7
389C25.7Very low29.1Very low129 Ų129148.5 Ų148.587%0.87283%0.83SS**  trans-82.6115.2178.6-590000110.3
390E29.3Very low29Very low203 Ų203151.1 Ų151.195%0.94984%0.839SS**  trans-142.3128.1146.6-73.7-163.6162.300109.7
391E26.6Very low29.2Very low176 Ų176150.5 Ų150.582%0.82283%0.832SS**  trans-98.5138.6-174.6-124.8-168.8-168.600111.3
392I26.3Very low29.3Very low140 Ų140150.5 Ų150.572%0.71883%0.827SS**  trans79.1107.3153.5-49.2158.7000117.5
393V26.4Very low29.8Very low133 Ų133151.2 Ų151.281%0.80683%0.828SS**  -156.4130.1103.6179.90000109
394K31.2Very low30.9Very low200 Ų200150.8 Ų150.887%0.8783%0.825SS**  trans-72.6128.1167.8-74.9178174.7176.90109.9
395E26.1Very low32.1Very low193 Ų193146.6 Ų146.690%0.90281%0.814SS**  trans-155.7149.6146.5-116.7173.5-161.900112.5
396N26.9Very low33.4Very low164 Ų164139.6 Ų139.688%0.87779%0.786SS**  trans-69152.4-167.1-73.1-40.5000115
397G28.2Very low34.8Very low86 Ų86138.8 Ų138.889%0.88777%0.772SS**  trans87118.6134.400000117.7
398G24.5Very low36.6Very low81 Ų81138.2 Ų138.284%0.83576%0.761SS**  trans170.8114.7163.900000112.6
399E32.2Very low38.4Very low187 Ų187133.6 Ų133.687%0.87474%0.739SS**  trans-61156.2179.8-63.6167.914100114.5
400S28.6Very low40.5Very low115 Ų115127.7 Ų127.780%0.80470%0.699SS**  trans-167.7113.6141.6-75.30000111.9
401P35.6Very low42.6Very low103 Ų103123.2 Ų123.267%0.66968%0.681SS**  trans-9812.8172.427.8-16.6000115.7
402E37Very low45.1Very low158 Ų158117.8 Ų117.874%0.73866%0.662SS**THydrogen-bonded Turntrans-82.4-17.5-167.2-70.7-175.1159.400117.1S404E402-S404 PolarHBondContact O-N 3.07Å
403K43.7Very low47.7Very low186 Ų186111.1 Ų111.181%0.80963%0.628SS**Hα-helixtrans-76.3-21.8-175.5-90.1-177.5177.3177.60114.7S406K403-S406 PolarHBondContact O-OG 2.9Å
404S48.6Very low50Low87 Ų87106.6 Ų106.661%0.60860%0.599SS**Hα-helixtrans-85.2-30-174.852.60000114.1E402E402-S404 PolarHBondContact O-N 3.07Å
405E50.9Low52.1Low143 Ų143102 Ų10267%0.66859%0.592SS**Hα-helixtrans-76.8-39.2-179.7-79.3-178152.300112.3Q407 A408 E409E405-Q407 PolarHBondContact O-N 3.35Å; E405-A408 PolarHBondContact O-N 3.35Å; E405-E409 PolarHBondContact O-N 3.05Å
406S60.4Low54.6Low40 Ų4098 Ų9828%0.2858%0.577SS.*Hα-helixtrans-63-37.6-179.153.50000113.7K403 I410K403-S406 PolarHBondContact O-OG 2.9Å; S406-I410 WeakPolarHBondContact O-CD1 3.38Å; S406-I410 VanDerWaalsContact O-CG1 3.26Å; S406-I410 WeakPolarHBondContact O-CG1 3.42Å; S406-I410 PolarHBondContact O-N 3.05Å
407Q62.6Low57.2Low124 Ų12491.9 Ų91.958%0.57955%0.546SS*.Hα-helixtrans-69.2-36.3176.5-73.7-173.9-14.700112.8E405 I410 L411E405-Q407 PolarHBondContact O-N 3.35Å; Q407-I410 PolarHBondContact O-N 3.41Å; Q407-L411 WeakPolarHBondContact O-CG 3.28Å; Q407-L411 PolarHBondContact O-N 3.46Å; Q407-L411 VanDerWaalsContact O-N 3.1Å
408A67.1Low59.8Low60 Ų6089.5 Ų89.550%0.49652%0.516SS..Hα-helixtrans-68.1-37.5178.700000112E405 S412E405-A408 PolarHBondContact O-N 3.35Å; A408-S412 WeakPolarHBondContact O-CB 3.37Å; A408-S412 PolarHBondContact O-N 3.47Å
409E68.3Low62.4Low97 Ų9787.6 Ų87.645%0.45349%0.493SS..Hα-helixtrans-66.1-40.3175.8-70.5-177.5167.900112.2E405 S412 F413 M425E405-E409 PolarHBondContact O-N 3.05Å; E409-S412 WeakPolarHBondContact O-CB 3.43Å; E409-S412 PolarHBondContact O-N 2.87Å; E409-F413 PolarHBondContact O-N 2.75Å; E409-M425 HydrophobicContact CB-CE 4.09Å; E409-M425 WeakPolarHBondContact O-CE 3.26Å
410I70.5Confident64.6Low5 Ų586.1 Ų86.13%0.02649%0.486CS..Hα-helixtrans-69.7-41.9179.4-58.4165.3000111.2S406 Q407 S412 F413 L414 M425 N428 L429 E432S406-I410 WeakPolarHBondContact O-CD1 3.38Å; S406-I410 VanDerWaalsContact O-CG1 3.26Å; S406-I410 WeakPolarHBondContact O-CG1 3.42Å; S406-I410 PolarHBondContact O-N 3.05Å; Q407-I410 PolarHBondContact O-N 3.41Å; I410-S412 VanDerWaalsContact C-N 3.25Å; I410-S412 PolarHBondContact O-N 3.46Å; I410-F413 PolarHBondContact O-N 3.12Å; I410-F413 VanDerWaalsContact O-N 3.14Å; I410-L414 HydrophobicContact CG2-CD1 4.03Å; I410-L414 HydrophobicContact CG2-CG 4.2Å; I410-L414 WeakPolarHBondContact O-CB 2.8Å; I410-L414 VanDerWaalsContact O-CG 3.3Å; I410-L414 WeakPolarHBondContact O-CG 3.44Å; I410-L414 PolarHBondContact O-N 3.1Å; I410-M425 HydrophobicContact CB-CE 4.37Å; I410-M425 HydrophobicContact CG1-CE 3.87Å; I410-N428 HydrophobicContact CD1-CB 4.35Å; I410-L429 HydrophobicContact CB-CD2 4.41Å; I410-L429 HydrophobicContact CG1-CD2 4.09Å; I410-L429 HydrophobicContact CG2-CD2 3.68Å; I410-E432 HydrophobicContact CD1-CB 3.91Å; I410-E432 HydrophobicContact CD1-CG 4.02Å; I410-E432 WeakPolarHBondContact CD1-OE2 3.49Å; I410-E432 WeakPolarHBondContact CG2-OE2 3.47Å
411L73.3Confident67Low110 Ų11083.7 Ų83.758%0.57646%0.461SS*.Hα-helixtrans-60.4-36.6171.9-70.2170.7000112.1Q407 S415Q407-L411 WeakPolarHBondContact O-CG 3.28Å; Q407-L411 PolarHBondContact O-N 3.46Å; Q407-L411 VanDerWaalsContact O-N 3.1Å; L411-S415 WeakPolarHBondContact O-CB 3.35Å; L411-S415 PolarHBondContact O-N 2.78Å; L411-S415 PolarHBondContact O-OG 3.1Å
412S78.9Confident69.3Low62 Ų6278.9 Ų78.943%0.43443%0.429SS..Hα-helixtrans-65.8-39.8173.5175.40000112.8A408 E409 I410 S415 N416A408-S412 WeakPolarHBondContact O-CB 3.37Å; A408-S412 PolarHBondContact O-N 3.47Å; E409-S412 WeakPolarHBondContact O-CB 3.43Å; E409-S412 PolarHBondContact O-N 2.87Å; I410-S412 VanDerWaalsContact C-N 3.25Å; I410-S412 PolarHBondContact O-N 3.46Å; S412-S415 PolarHBondContact O-N 3.26Å; S412-N416 PolarHBondContact O-N 2.82Å; S412-N416 VanDerWaalsContact O-N 3.15Å
413F80.4Confident71.3Confident0 Ų074.1 Ų74.10%041%0.414CS..Hα-helixtrans-66.5-47.5173.6173.7-96.6000111.7E409 I410 S415 N416 P417 K421 L422 M425 L429 L444 I448 L451E409-F413 PolarHBondContact O-N 2.75Å; I410-F413 PolarHBondContact O-N 3.12Å; I410-F413 VanDerWaalsContact O-N 3.14Å; F413-S415 PolarHBondContact O-N 2.76Å; F413-N416 CarbonylContact O-C 3.16Å; F413-N416 PolarHBondContact O-N 3.08Å; F413-N416 VanDerWaalsContact O-N 3.1Å; F413-P417 HydrophobicContact CD2-CB 4.38Å; F413-P417 HydrophobicContact CE1-CB 4.37Å; F413-P417 HydrophobicContact CE2-CB 3.86Å; F413-P417 HydrophobicContact CZ-CB 3.85Å; F413-P417 WeakPolarHBondContact O-CA 3.41Å; F413-P417 VanDerWaalsContact O-N 3.09Å; F413-K421 HydrophobicContact CD2-CB 3.98Å; F413-L422 HydrophobicContact CE2-CB 4.25Å; F413-L422 HydrophobicContact CE2-CD1 4.22Å; F413-L422 HydrophobicContact CZ-CD1 3.94Å; F413-M425 HydrophobicContact CB-CE 3.66Å; F413-M425 HydrophobicContact CB-SD 3.89Å; F413-M425 HydrophobicContact CG-CE 4.36Å; F413-M425 HydrophobicContact CG-SD 4.46Å; F413-L429 HydrophobicContact CD1-CD1 4.12Å; F413-L429 HydrophobicContact CD1-CD2 4.02Å; F413-L429 HydrophobicContact CE1-CD1 3.98Å; F413-L429 HydrophobicContact CE1-CD2 4.46Å; F413-L429 HydrophobicContact CZ-CD1 4.24Å; F413-L444 HydrophobicContact CE1-CD1 4.21Å; F413-I448 HydrophobicContact CE1-CG1 4.19Å; F413-I448 HydrophobicContact CZ-CG1 4.2Å; F413-L451 HydrophobicContact CE2-CD1 4.08Å; F413-L451 HydrophobicContact CZ-CD1 4.03Å
414L76Confident73Confident37 Ų3773.3 Ų73.319%0.19441%0.412CS..Hα-helixtrans-60.6-28.8178.9-71.2174.9000112I410 L444 K447I410-L414 HydrophobicContact CG2-CD1 4.03Å; I410-L414 HydrophobicContact CG2-CG 4.2Å; I410-L414 WeakPolarHBondContact O-CB 2.8Å; I410-L414 VanDerWaalsContact O-CG 3.3Å; I410-L414 WeakPolarHBondContact O-CG 3.44Å; I410-L414 PolarHBondContact O-N 3.1Å; L414-L444 HydrophobicContact CD2-CD1 4.02Å; L414-K447 HydrophobicContact CB-CD 4.36Å; L414-K447 HydrophobicContact CD2-CD 3.61Å; L414-K447 VanDerWaalsContact O-CE 3.27Å; L414-K447 WeakPolarHBondContact O-CE 3.45Å; L414-K447 PolarHBondContact O-NZ 3.24Å
415S75.6Confident74.3Confident104 Ų10469.8 Ų69.873%0.72739%0.386SS*.Hα-helixtrans-80.1-32.6176.1-580000113.2L411 S412 F413L411-S415 WeakPolarHBondContact O-CB 3.35Å; L411-S415 PolarHBondContact O-N 2.78Å; L411-S415 PolarHBondContact O-OG 3.1Å; S412-S415 PolarHBondContact O-N 3.26Å; F413-S415 PolarHBondContact O-N 2.76Å
416N77.5Confident75.6Confident108 Ų10866 Ų6658%0.57837%0.368SS*.SBendtrans-150.287.1179.7-173.220.8000111.6S412 F413 K421S412-N416 PolarHBondContact O-N 2.82Å; S412-N416 VanDerWaalsContact O-N 3.15Å; F413-N416 CarbonylContact O-C 3.16Å; F413-N416 PolarHBondContact O-N 3.08Å; F413-N416 VanDerWaalsContact O-N 3.1Å; N416-K421 PolarHBondContact O-NZ 2.84Å; N416-K421 VanDerWaalsContact O-NZ 3.12Å
417P81.3Confident76.5Confident37 Ų3770 Ų7024%0.2438%0.383CS..  trans-75.5137.5-175.829.7-33.8000111.5F413 L451F413-P417 HydrophobicContact CD2-CB 4.38Å; F413-P417 HydrophobicContact CE1-CB 4.37Å; F413-P417 HydrophobicContact CE2-CB 3.86Å; F413-P417 HydrophobicContact CZ-CB 3.85Å; F413-P417 WeakPolarHBondContact O-CA 3.41Å; F413-P417 VanDerWaalsContact O-N 3.09Å; P417-L451 HydrophobicContact CB-CD1 4.18Å; P417-L451 HydrophobicContact CB-CD2 4.06Å; P417-L451 HydrophobicContact CB-CG 4.31Å
418S82.3Confident77.3Confident35 Ų3566.7 Ų66.725%0.24537%0.37CS..  trans-144.8154.3173.375.20000111.5E420 K421 L422S418-E420 VanDerWaalsContact C-N 3.28Å; S418-E420 PolarHBondContact O-N 2.82Å; S418-K421 PolarHBondContact O-N 3.32Å; S418-K421 WeakPolarHBondContact OG-CG 3.3Å; S418-K421 PolarHBondContact OG-N 2.75Å; S418-L422 WeakPolarHBondContact O-CB 3.19Å; S418-L422 PolarHBondContact O-N 3.17Å
419A79.8Confident77.9Confident42 Ų4263.9 Ų63.935%0.34735%0.346SS..Hα-helixtrans-62.5-34179.300000112.9L422 S423A419-L422 PolarHBondContact O-N 2.86Å; A419-S423 PolarHBondContact O-N 3.35Å; A419-S423 VanDerWaalsContact O-N 3.16Å; A419-S423 PolarHBondContact O-OG 3.24Å
420E77.9Confident78.4Confident156 Ų15661.6 Ų61.673%0.72934%0.335SS*.Hα-helixtrans-63.7-49.3175.1-66.4176.7177.600111.2S418 L422 S423 H424S418-E420 VanDerWaalsContact C-N 3.28Å; S418-E420 PolarHBondContact O-N 2.82Å; E420-L422 PolarHBondContact O-N 2.93Å; E420-S423 PolarHBondContact O-N 2.99Å; E420-H424 PolarHBondContact O-CD2 2.91Å; E420-H424 VanDerWaalsContact O-CD2 3.3Å; E420-H424 PolarHBondContact O-N 3.06Å
421K80.5Confident78.7Confident64 Ų6468.2 Ų68.228%0.27837%0.367SS..Hα-helixtrans-63.9-39.8177-71.2179.2-179.2-178.20112.2F413 N416 S418 S423 H424 M425F413-K421 HydrophobicContact CD2-CB 3.98Å; N416-K421 PolarHBondContact O-NZ 2.84Å; N416-K421 VanDerWaalsContact O-NZ 3.12Å; S418-K421 PolarHBondContact O-N 3.32Å; S418-K421 WeakPolarHBondContact OG-CG 3.3Å; S418-K421 PolarHBondContact OG-N 2.75Å; K421-S423 VanDerWaalsContact C-N 3.27Å; K421-S423 PolarHBondContact O-N 3.08Å; K421-H424 PolarHBondContact O-N 3.01Å; K421-M425 HydrophobicContact CB-SD 4.38Å; K421-M425 WeakPolarHBondContact O-CB 3.38Å; K421-M425 VanDerWaalsContact O-CG 3.32Å; K421-M425 WeakPolarHBondContact O-CG 3.42Å; K421-M425 PolarHBondContact O-N 3.43Å
422L82.1Confident78.7Confident1 Ų167 Ų671%0.00536%0.358CS..Hα-helixtrans-59-40.7178.6-173.370.7000111.7F413 S418 A419 E420 H424 M425 K426 L429 I448 L451 V461 V462 V465F413-L422 HydrophobicContact CE2-CB 4.25Å; F413-L422 HydrophobicContact CE2-CD1 4.22Å; F413-L422 HydrophobicContact CZ-CD1 3.94Å; S418-L422 WeakPolarHBondContact O-CB 3.19Å; S418-L422 PolarHBondContact O-N 3.17Å; A419-L422 PolarHBondContact O-N 2.86Å; E420-L422 PolarHBondContact O-N 2.93Å; L422-H424 VanDerWaalsContact C-N 3.32Å; L422-H424 PolarHBondContact O-N 3.35Å; L422-M425 PolarHBondContact O-N 2.91Å; L422-K426 PolarHBondContact O-N 3.44Å; L422-K426 VanDerWaalsContact O-N 3.16Å; L422-L429 HydrophobicContact CD1-CD1 3.87Å; L422-I448 HydrophobicContact CD1-CG1 4.09Å; L422-I448 HydrophobicContact CD1-CG2 4.1Å; L422-I448 HydrophobicContact CD2-CG2 4.19Å; L422-L451 HydrophobicContact CB-CD1 4.19Å; L422-L451 HydrophobicContact CD2-CD1 4.06Å; L422-V461 HydrophobicContact CD2-CG1 4.16Å; L422-V461 HydrophobicContact CG-CG1 4.18Å; L422-V462 HydrophobicContact CD2-CB 4.4Å; L422-V462 HydrophobicContact CD2-CG2 3.67Å; L422-V465 HydrophobicContact CD1-CB 4.29Å; L422-V465 HydrophobicContact CD1-CG1 4.19Å; L422-V465 HydrophobicContact CD1-CG2 4Å; L422-V465 HydrophobicContact CG-CG2 4.17Å
423S79.7Confident78.7Confident59 Ų5964.5 Ų64.541%0.41334%0.34SS..Hα-helixtrans-64.8-36-180-59.20000112.4A419 E420 K421A419-S423 PolarHBondContact O-N 3.35Å; A419-S423 VanDerWaalsContact O-N 3.16Å; A419-S423 PolarHBondContact O-OG 3.24Å; E420-S423 PolarHBondContact O-N 2.99Å; K421-S423 VanDerWaalsContact C-N 3.27Å; K421-S423 PolarHBondContact O-N 3.08Å
424H79.4Confident78.6Confident168 Ų16867.9 Ų67.978%0.77836%0.358SS*.Hα-helixtrans-79.2-29.6176.7-76.1-72.4000113.4E420 K421 L422E420-H424 PolarHBondContact O-CD2 2.91Å; E420-H424 VanDerWaalsContact O-CD2 3.3Å; E420-H424 PolarHBondContact O-N 3.06Å; K421-H424 PolarHBondContact O-N 3.01Å; L422-H424 VanDerWaalsContact C-N 3.32Å; L422-H424 PolarHBondContact O-N 3.35Å
425M76.1Confident78.8Confident14 Ų1468 Ų687%0.06936%0.36CS..Hα-helixtrans-105.26.2-169.3-64.1176.15900115.1E409 I410 F413 K421 L422 M427 N428 L429E409-M425 HydrophobicContact CB-CE 4.09Å; E409-M425 WeakPolarHBondContact O-CE 3.26Å; I410-M425 HydrophobicContact CB-CE 4.37Å; I410-M425 HydrophobicContact CG1-CE 3.87Å; F413-M425 HydrophobicContact CB-CE 3.66Å; F413-M425 HydrophobicContact CB-SD 3.89Å; F413-M425 HydrophobicContact CG-CE 4.36Å; F413-M425 HydrophobicContact CG-SD 4.46Å; K421-M425 HydrophobicContact CB-SD 4.38Å; K421-M425 WeakPolarHBondContact O-CB 3.38Å; K421-M425 VanDerWaalsContact O-CG 3.32Å; K421-M425 WeakPolarHBondContact O-CG 3.42Å; K421-M425 PolarHBondContact O-N 3.43Å; L422-M425 PolarHBondContact O-N 2.91Å; M425-M427 VanDerWaalsContact C-N 3.3Å; M425-M427 PolarHBondContact O-N 3.17Å; M425-M427 VanDerWaalsContact O-N 3.16Å; M425-N428 PolarHBondContact O-N 3Å; M425-N428 VanDerWaalsContact O-N 3.12Å; M425-L429 HydrophobicContact CB-CD1 4.13Å; M425-L429 HydrophobicContact CB-CG 4.17Å; M425-L429 HydrophobicContact CE-CD2 4.2Å; M425-L429 HydrophobicContact CE-CG 4.46Å; M425-L429 WeakPolarHBondContact O-CG 3.31Å; M425-L429 PolarHBondContact O-N 3.2Å
426K79.1Confident78.8Confident63 Ų6367 Ų6727%0.27435%0.353SS..Hα-helixtrans-51.3-42.7-172.662.5176-172.2167.10114.8L422 Q430 E464 V465L422-K426 PolarHBondContact O-N 3.44Å; L422-K426 VanDerWaalsContact O-N 3.16Å; K426-Q430 VanDerWaalsContact O-CG 3.25Å; K426-Q430 WeakPolarHBondContact O-CG 3.35Å; K426-Q430 PolarHBondContact O-N 3.42Å; K426-E464 VanDerWaalsContact NZ-CD 3.34Å; K426-E464 IonicContact NZ-OE1 2.74Å; K426-E464 PolarHBondContact NZ-OE1 2.78Å; K426-E464 IonicContact NZ-OE2 3.11Å; K426-E464 PolarHBondContact NZ-OE2 2.85Å; K426-E464 VanDerWaalsContact NZ-OE2 3.11Å; K426-V465 HydrophobicContact CB-CG2 3.58Å
427M77.7Confident79.2Confident124 Ų12465.4 Ų65.461%0.61134%0.342SS*.Hα-helixtrans-73.2-41.2-179.7-71.8-166.2172.500112.3M425 L429 Q430 Q431M425-M427 VanDerWaalsContact C-N 3.3Å; M425-M427 PolarHBondContact O-N 3.17Å; M425-M427 VanDerWaalsContact O-N 3.16Å; M427-L429 PolarHBondContact O-N 2.96Å; M427-Q430 PolarHBondContact O-N 3.42Å; M427-Q431 WeakPolarHBondContact O-CG 3.38Å; M427-Q431 PolarHBondContact O-N 2.94Å
428N80.1Confident79.5Confident55 Ų5565.1 Ų65.129%0.29434%0.34SS..Hα-helixtrans-63.3-44.5179.9-64.8-5.5000110.8I410 M425 Q430 Q431 E432I410-N428 HydrophobicContact CD1-CB 4.35Å; M425-N428 PolarHBondContact O-N 3Å; M425-N428 VanDerWaalsContact O-N 3.12Å; N428-Q430 VanDerWaalsContact C-N 3.35Å; N428-Q430 PolarHBondContact O-N 3Å; N428-Q431 PolarHBondContact O-N 2.89Å; N428-E432 PolarHBondContact O-N 3.41Å; N428-E432 VanDerWaalsContact O-N 3.08Å
429L79.3Confident79.7Confident0 Ų067.4 Ų67.40%035%0.35CS..Hα-helixtrans-64.6-35.9178.7-66.6174.2000112.6I410 F413 L422 M425 M427 V433 L444 V465I410-L429 HydrophobicContact CB-CD2 4.41Å; I410-L429 HydrophobicContact CG1-CD2 4.09Å; I410-L429 HydrophobicContact CG2-CD2 3.68Å; F413-L429 HydrophobicContact CD1-CD1 4.12Å; F413-L429 HydrophobicContact CD1-CD2 4.02Å; F413-L429 HydrophobicContact CE1-CD1 3.98Å; F413-L429 HydrophobicContact CE1-CD2 4.46Å; F413-L429 HydrophobicContact CZ-CD1 4.24Å; L422-L429 HydrophobicContact CD1-CD1 3.87Å; M425-L429 HydrophobicContact CB-CD1 4.13Å; M425-L429 HydrophobicContact CB-CG 4.17Å; M425-L429 HydrophobicContact CE-CD2 4.2Å; M425-L429 HydrophobicContact CE-CG 4.46Å; M425-L429 WeakPolarHBondContact O-CG 3.31Å; M425-L429 PolarHBondContact O-N 3.2Å; M427-L429 PolarHBondContact O-N 2.96Å; L429-V433 WeakPolarHBondContact O-CG2 3.5Å; L429-L444 HydrophobicContact CD2-CD1 3.93Å; L429-V465 HydrophobicContact CB-CG1 4.43Å
430Q79.3Confident80Confident49 Ų4971.3 Ų71.323%0.22936%0.359CS..Hα-helixtrans-72.6-33.5176.3-71.4172.1-13.500112.4K426 M427 N428 E464 V465 K472K426-Q430 VanDerWaalsContact O-CG 3.25Å; K426-Q430 WeakPolarHBondContact O-CG 3.35Å; K426-Q430 PolarHBondContact O-N 3.42Å; M427-Q430 PolarHBondContact O-N 3.42Å; N428-Q430 VanDerWaalsContact C-N 3.35Å; N428-Q430 PolarHBondContact O-N 3Å; Q430-E464 PolarHBondContact NE2-O 2.95Å; Q430-E464 VanDerWaalsContact NE2-O 3.15Å; Q430-V465 HydrophobicContact CG-CG1 4.46Å; Q430-K472 PolarHBondContact O-NZ 3.05Å
431Q77.1Confident80.5Confident145 Ų14564 Ų6468%0.67833%0.326SS*.Hα-helixtrans-73.6-37.8-179.9-74.6-178.3500112.5M427 N428 V433 K472M427-Q431 WeakPolarHBondContact O-CG 3.38Å; M427-Q431 PolarHBondContact O-N 2.94Å; N428-Q431 PolarHBondContact O-N 2.89Å; Q431-V433 VanDerWaalsContact C-N 3.27Å; Q431-V433 PolarHBondContact O-N 2.99Å; Q431-K472 PolarHBondContact O-NZ 3.47Å
432E73.3Confident81Confident84 Ų8461 Ų6139%0.39331%0.312SS..Hα-helixtrans-70.5-19.2-177.1-159-168-161.100113.9I410 N428 N434I410-E432 HydrophobicContact CD1-CB 3.91Å; I410-E432 HydrophobicContact CD1-CG 4.02Å; I410-E432 WeakPolarHBondContact CD1-OE2 3.49Å; I410-E432 WeakPolarHBondContact CG2-OE2 3.47Å; N428-E432 PolarHBondContact O-N 3.41Å; N428-E432 VanDerWaalsContact O-N 3.08Å; E432-N434 PolarHBondContact O-N 3.22Å
433V79.1Confident81.4Confident9 Ų964.4 Ų64.46%0.05533%0.328CS..  trans-57.5110.1179.6174.50000110.6L429 Q431 A441 L444 V469 K472 V473L429-V433 WeakPolarHBondContact O-CG2 3.5Å; Q431-V433 VanDerWaalsContact C-N 3.27Å; Q431-V433 PolarHBondContact O-N 2.99Å; V433-A441 HydrophobicContact CG1-CB 4.41Å; V433-L444 HydrophobicContact CG2-CD2 3.81Å; V433-V469 HydrophobicContact CG2-CB 4.28Å; V433-V469 HydrophobicContact CG2-CG1 3.93Å; V433-V469 HydrophobicContact CG2-CG2 3.91Å; V433-K472 HydrophobicContact CB-CD 4.01Å; V433-K472 HydrophobicContact CG1-CD 4.12Å; V433-K472 WeakPolarHBondContact O-CE 3.47Å; V433-K472 PolarHBondContact O-NZ 2.89Å; V433-V473 HydrophobicContact CG1-CG2 3.59Å
434N77.7Confident81.9Confident72 Ų7262.1 Ų62.139%0.38531%0.311SS..  trans-96.6115.7172.5-174-10.3000109.4E432 S436 E437E432-N434 PolarHBondContact O-N 3.22Å; N434-S436 PolarHBondContact O-N 2.93Å; N434-S436 VanDerWaalsContact O-N 3.08Å; N434-S436 WeakPolarHBondContact OD1-CB 3.28Å; N434-S436 PolarHBondContact OD1-N 3.07Å; N434-S436 PolarHBondContact OD1-OG 3.04Å; N434-E437 HydrophobicContact CB-CB 4.41Å; N434-E437 HydrophobicContact CB-CG 4.41Å; N434-E437 PolarHBondContact O-N 3.37Å
435V79.9Confident82.5Confident39 Ų3954.1 Ų54.124%0.23627%0.274CS..THydrogen-bonded Turntrans-61.6-15.9178.9-66.80000113.4K472 A476V435-K472 HydrophobicContact CG1-CG 4.24Å; V435-K472 WeakPolarHBondContact CG1-O 3.29Å; V435-A476 HydrophobicContact CB-CB 4.21Å; V435-A476 HydrophobicContact CG1-CB 3.98Å
436S76.8Confident83.2Confident83 Ų8353.5 Ų53.558%0.5827%0.271SS*.THydrogen-bonded Turntrans-87.1-6.2176.4-46.90000113.3N434 P438N434-S436 PolarHBondContact O-N 2.93Å; N434-S436 VanDerWaalsContact O-N 3.08Å; N434-S436 WeakPolarHBondContact OD1-CB 3.28Å; N434-S436 PolarHBondContact OD1-N 3.07Å; N434-S436 PolarHBondContact OD1-OG 3.04Å; S436-P438 WeakPolarHBondContact O-CD 3.35Å
437E85.5Confident83.7Confident75 Ų7552.5 Ų52.535%0.3527%0.267SS..  trans-121.273-179.3-64.5-169.7115.300111.4N434 N439 K440 A441N434-E437 HydrophobicContact CB-CB 4.41Å; N434-E437 HydrophobicContact CB-CG 4.41Å; N434-E437 PolarHBondContact O-N 3.37Å; E437-N439 PolarHBondContact O-N 3.18Å; E437-K440 HydrophobicContact CB-CB 4.4Å; E437-K440 HydrophobicContact CB-CD 4.36Å; E437-K440 HydrophobicContact CB-CG 4.48Å; E437-K440 PolarHBondContact O-N 3.1Å; E437-K440 WeakPolarHBondContact OE1-CE 3.4Å; E437-K440 IonicContact OE1-NZ 2.92Å; E437-K440 PolarHBondContact OE1-NZ 2.86Å; E437-K440 WeakPolarHBondContact OE2-CD 3.39Å; E437-K440 IonicContact OE2-NZ 3.51Å; E437-K440 PolarHBondContact OE2-NZ 3.49Å; E437-A441 PolarHBondContact O-N 3.42Å
438P86Confident84.3Confident31 Ų3146.6 Ų46.620%0.20124%0.238CC..Hα-helixtrans-60.8-31.2-173.424.2-34.4000113.4S436 A441 A442 C483 F484S436-P438 WeakPolarHBondContact O-CD 3.35Å; P438-A441 PolarHBondContact O-N 3.04Å; P438-A442 VanDerWaalsContact O-CB 3.28Å; P438-A442 WeakPolarHBondContact O-CB 3.35Å; P438-A442 PolarHBondContact O-N 3.2Å; P438-C483 HydrophobicContact CB-CB 4.47Å; P438-C483 HydrophobicContact CG-CB 4.38Å; P438-F484 HydrophobicContact CB-CB 4.4Å
439N87.1Confident84.7Confident83 Ų8344 Ų4444%0.44422%0.224SC..Hα-helixtrans-60.8-46.8176.7-67.4-36.8000112.5E437 A442 E443 T487E437-N439 PolarHBondContact O-N 3.18Å; N439-A442 PolarHBondContact O-N 3.41Å; N439-E443 WeakPolarHBondContact O-CB 3.32Å; N439-E443 PolarHBondContact O-N 3.49Å; N439-T487 WeakPolarHBondContact OD1-CG2 3.42Å
440K86.3Confident85.2Confident123 Ų12346.5 Ų46.554%0.53524%0.242SC..Hα-helixtrans-69-40.4179.3-68.2-175.6-173.1162.20111.5E437 E443 L444E437-K440 HydrophobicContact CB-CB 4.4Å; E437-K440 HydrophobicContact CB-CD 4.36Å; E437-K440 HydrophobicContact CB-CG 4.48Å; E437-K440 PolarHBondContact O-N 3.1Å; E437-K440 WeakPolarHBondContact OE1-CE 3.4Å; E437-K440 IonicContact OE1-NZ 2.92Å; E437-K440 PolarHBondContact OE1-NZ 2.86Å; E437-K440 WeakPolarHBondContact OE2-CD 3.39Å; E437-K440 IonicContact OE2-NZ 3.51Å; E437-K440 PolarHBondContact OE2-NZ 3.49Å; K440-E443 PolarHBondContact O-N 3.41Å; K440-L444 VanDerWaalsContact O-CB 3.27Å; K440-L444 WeakPolarHBondContact O-CB 3.12Å; K440-L444 PolarHBondContact O-N 2.84Å
441A89.3Confident85.7Confident4 Ų445.5 Ų45.53%0.03324%0.238CC..Hα-helixtrans-62.9-42.9176.500000111.7V433 E437 P438 L444 F445 V473 F484V433-A441 HydrophobicContact CG1-CB 4.41Å; E437-A441 PolarHBondContact O-N 3.42Å; P438-A441 PolarHBondContact O-N 3.04Å; A441-L444 PolarHBondContact O-N 3.03Å; A441-F445 WeakPolarHBondContact O-CB 3.35Å; A441-F445 PolarHBondContact O-N 3.43Å; A441-V473 HydrophobicContact CB-CG2 4.11Å; A441-F484 HydrophobicContact CB-CD2 3.97Å; A441-F484 HydrophobicContact CB-CE2 4.02Å
442A91Very high86.2Confident0 Ų040.8 Ų40.80%022%0.216CC..Hα-helixtrans-68.1-41176.900000111.8P438 N439 F445 L446 F484 T487 L488 M491P438-A442 VanDerWaalsContact O-CB 3.28Å; P438-A442 WeakPolarHBondContact O-CB 3.35Å; P438-A442 PolarHBondContact O-N 3.2Å; N439-A442 PolarHBondContact O-N 3.41Å; A442-F445 PolarHBondContact O-N 3.33Å; A442-L446 WeakPolarHBondContact O-CB 3.48Å; A442-L446 VanDerWaalsContact O-CG 3.24Å; A442-L446 WeakPolarHBondContact O-CG 3.25Å; A442-L446 PolarHBondContact O-N 3.45Å; A442-F484 HydrophobicContact CB-CD2 4.31Å; A442-F484 HydrophobicContact CB-CE2 4.04Å; A442-T487 HydrophobicContact CB-CG2 3.92Å; A442-L488 HydrophobicContact CB-CB 4.4Å; A442-L488 HydrophobicContact CB-CD1 4.4Å; A442-M491 HydrophobicContact CB-SD 3.52Å; A442-M491 VanDerWaalsContact CB-SD 3.52Å
443E89.4Confident86.8Confident73 Ų7339.2 Ų39.234%0.34121%0.214SC..Hα-helixtrans-60.9-45.8174.1-169178.5178.400111.9N439 K440 L446 K447 M491N439-E443 WeakPolarHBondContact O-CB 3.32Å; N439-E443 PolarHBondContact O-N 3.49Å; K440-E443 PolarHBondContact O-N 3.41Å; E443-L446 PolarHBondContact O-N 2.94Å; E443-K447 HydrophobicContact CG-CD 4.2Å; E443-K447 WeakPolarHBondContact O-CB 3.19Å; E443-K447 WeakPolarHBondContact O-CG 3.5Å; E443-K447 PolarHBondContact O-N 3.27Å; E443-K447 WeakPolarHBondContact OE1-CE 3.4Å; E443-K447 IonicContact OE1-NZ 3.66Å; E443-K447 PolarHBondContact OE1-NZ 2.95Å; E443-M491 HydrophobicContact CB-CE 3.92Å; E443-M491 HydrophobicContact CG-CE 4.34Å
444L89.6Confident86.7Confident10 Ų1048.3 Ų48.35%0.05226%0.256CS..Hα-helixtrans-61.3-47.3177.1178.861.3000111.1F413 L414 L429 V433 K440 A441 L446 K447 I448 V469F413-L444 HydrophobicContact CE1-CD1 4.21Å; L414-L444 HydrophobicContact CD2-CD1 4.02Å; L429-L444 HydrophobicContact CD2-CD1 3.93Å; V433-L444 HydrophobicContact CG2-CD2 3.81Å; K440-L444 VanDerWaalsContact O-CB 3.27Å; K440-L444 WeakPolarHBondContact O-CB 3.12Å; K440-L444 PolarHBondContact O-N 2.84Å; A441-L444 PolarHBondContact O-N 3.03Å; L444-L446 PolarHBondContact O-N 3.47Å; L444-K447 PolarHBondContact O-N 2.89Å; L444-I448 HydrophobicContact CD1-CD1 3.73Å; L444-I448 HydrophobicContact CD1-CG1 4.12Å; L444-I448 HydrophobicContact CG-CD1 3.74Å; L444-I448 WeakPolarHBondContact O-CD1 3.46Å; L444-I448 VanDerWaalsContact O-CG1 3.26Å; L444-I448 WeakPolarHBondContact O-CG1 3.05Å; L444-I448 PolarHBondContact O-N 3.37Å; L444-V469 HydrophobicContact CD2-CG2 4.17Å
445F92.8Very high86.9Confident0 Ų048.7 Ų48.70%026%0.258CS..Hα-helixtrans-55.8-49.4175.1171.5-94.7000111.7A441 A442 K447 I448 G449 I466 L470 F484 L488 C513 L514A441-F445 WeakPolarHBondContact O-CB 3.35Å; A441-F445 PolarHBondContact O-N 3.43Å; A442-F445 PolarHBondContact O-N 3.33Å; F445-K447 VanDerWaalsContact C-N 3.35Å; F445-K447 PolarHBondContact O-N 3.02Å; F445-I448 PolarHBondContact O-N 2.91Å; F445-G449 PolarHBondContact O-N 2.97Å; F445-I466 HydrophobicContact CD2-CD1 4.35Å; F445-I466 HydrophobicContact CD2-CG1 4.3Å; F445-I466 HydrophobicContact CD2-CG2 4.12Å; F445-I466 HydrophobicContact CE2-CD1 4Å; F445-I466 HydrophobicContact CE2-CG1 4.33Å; F445-I466 HydrophobicContact CE2-CG2 3.73Å; F445-L470 HydrophobicContact CD2-CD1 4.14Å; F445-L470 HydrophobicContact CD2-CD2 3.98Å; F445-L470 HydrophobicContact CD2-CG 4.12Å; F445-L470 HydrophobicContact CE2-CD1 3.83Å; F445-L470 HydrophobicContact CE2-CD2 4.4Å; F445-L470 HydrophobicContact CE2-CG 4.32Å; F445-F484 HydrophobicContact CB-CZ 4.45Å; F445-L488 HydrophobicContact CD1-CD1 3.65Å; F445-L488 HydrophobicContact CD1-CD2 4.21Å; F445-L488 HydrophobicContact CE1-CD1 4.05Å; F445-L488 HydrophobicContact CE1-CD2 4.13Å; F445-C513 HydrophobicContact CE2-CB 4.3Å; F445-C513 HydrophobicContact CZ-CB 4.15Å; F445-L514 HydrophobicContact CE1-CD1 4.49Å; F445-L514 HydrophobicContact CE1-CD2 3.94Å; F445-L514 HydrophobicContact CE1-CG 3.91Å; F445-L514 HydrophobicContact CE2-CD2 4.26Å; F445-L514 HydrophobicContact CZ-CD2 3.55Å; F445-L514 HydrophobicContact CZ-CG 3.59Å
446L91.8Very high86.9Confident1 Ų152.3 Ų52.31%0.00528%0.28CS..Hα-helixtrans-65.7-36.7-178.5-71.4170.9000112.5A442 E443 L444 S450 L488 M491 I492 V504 Q510A442-L446 WeakPolarHBondContact O-CB 3.48Å; A442-L446 VanDerWaalsContact O-CG 3.24Å; A442-L446 WeakPolarHBondContact O-CG 3.25Å; A442-L446 PolarHBondContact O-N 3.45Å; E443-L446 PolarHBondContact O-N 2.94Å; L444-L446 PolarHBondContact O-N 3.47Å; L446-S450 PolarHBondContact O-N 3.49Å; L446-S450 VanDerWaalsContact O-N 3.12Å; L446-L488 HydrophobicContact CD1-CD1 4.02Å; L446-L488 HydrophobicContact CD2-CD1 3.72Å; L446-L488 HydrophobicContact CG-CD1 3.74Å; L446-M491 HydrophobicContact CD1-CB 3.68Å; L446-M491 HydrophobicContact CD1-CE 4.12Å; L446-M491 HydrophobicContact CD1-SD 4.21Å; L446-I492 HydrophobicContact CD1-CG2 4.2Å; L446-I492 HydrophobicContact CD2-CG2 3.52Å; L446-V504 HydrophobicContact CB-CG1 4.35Å; L446-V504 HydrophobicContact CD1-CB 3.99Å; L446-V504 HydrophobicContact CD1-CG1 4.44Å; L446-V504 HydrophobicContact CD1-CG2 3.85Å; L446-Q510 HydrophobicContact CD2-CB 4.24Å; L446-Q510 HydrophobicContact CD2-CG 4.09Å; L446-Q510 WeakPolarHBondContact O-CG 3.42Å; L446-Q510 PolarHBondContact O-NE2 3.32Å
447K88.9Confident86.9Confident42 Ų4253.4 Ų53.418%0.18328%0.283CS..Hα-helixtrans-68-46.3175.4-75.5177.7-176.9176.90111.7L414 E443 L444 F445 S450L414-K447 HydrophobicContact CB-CD 4.36Å; L414-K447 HydrophobicContact CD2-CD 3.61Å; L414-K447 VanDerWaalsContact O-CE 3.27Å; L414-K447 WeakPolarHBondContact O-CE 3.45Å; L414-K447 PolarHBondContact O-NZ 3.24Å; E443-K447 HydrophobicContact CG-CD 4.2Å; E443-K447 WeakPolarHBondContact O-CB 3.19Å; E443-K447 WeakPolarHBondContact O-CG 3.5Å; E443-K447 PolarHBondContact O-N 3.27Å; E443-K447 WeakPolarHBondContact OE1-CE 3.4Å; E443-K447 IonicContact OE1-NZ 3.66Å; E443-K447 PolarHBondContact OE1-NZ 2.95Å; L444-K447 PolarHBondContact O-N 2.89Å; F445-K447 VanDerWaalsContact C-N 3.35Å; F445-K447 PolarHBondContact O-N 3.02Å; K447-S450 WeakPolarHBondContact O-CB 3.5Å; K447-S450 PolarHBondContact O-N 3.26Å; K447-S450 PolarHBondContact O-OG 3.27Å
448I89.2Confident86.6Confident0 Ų050.7 Ų50.70%027%0.274CS..Hα-helixtrans-62.4-44.7175.9-62161.1000110.6F413 L422 L444 F445 S450 L451 V462 V465 I466 V469F413-I448 HydrophobicContact CE1-CG1 4.19Å; F413-I448 HydrophobicContact CZ-CG1 4.2Å; L422-I448 HydrophobicContact CD1-CG1 4.09Å; L422-I448 HydrophobicContact CD1-CG2 4.1Å; L422-I448 HydrophobicContact CD2-CG2 4.19Å; L444-I448 HydrophobicContact CD1-CD1 3.73Å; L444-I448 HydrophobicContact CD1-CG1 4.12Å; L444-I448 HydrophobicContact CG-CD1 3.74Å; L444-I448 WeakPolarHBondContact O-CD1 3.46Å; L444-I448 VanDerWaalsContact O-CG1 3.26Å; L444-I448 WeakPolarHBondContact O-CG1 3.05Å; L444-I448 PolarHBondContact O-N 3.37Å; F445-I448 PolarHBondContact O-N 2.91Å; I448-S450 PolarHBondContact O-N 3.16Å; I448-L451 WeakPolarHBondContact O-CB 3.44Å; I448-L451 PolarHBondContact O-N 3.21Å; I448-V462 HydrophobicContact CG2-CG1 4.1Å; I448-V465 HydrophobicContact CD1-CG1 3.66Å; I448-I466 HydrophobicContact CB-CG1 4.27Å; I448-I466 HydrophobicContact CG2-CD1 3.98Å; I448-I466 HydrophobicContact CG2-CG1 3.69Å; I448-V469 HydrophobicContact CD1-CG2 4.34Å
449G90.1Very high86.7Confident0 Ų050 Ų500%027%0.268CS..Hα-helixtrans-62-26.3178.700000113.7F445 L451 H452 G509 Q510F445-G449 PolarHBondContact O-N 2.97Å; G449-L451 PolarHBondContact O-N 3.1Å; G449-H452 WeakPolarHBondContact O-CB 3.33Å; G449-H452 PolarHBondContact O-N 3.48Å; G449-G509 CarbonylContact O-C 3.17Å; G449-G509 WeakPolarHBondContact O-CA 3.27Å; G449-Q510 PolarHBondContact O-N 2.9Å
450S89.5Confident86.6Confident54 Ų5448.9 Ų48.938%0.37827%0.271SS..THydrogen-bonded Turntrans-68.6-18.1174.779.30000114L446 K447 I448 H452L446-S450 PolarHBondContact O-N 3.49Å; L446-S450 VanDerWaalsContact O-N 3.12Å; K447-S450 WeakPolarHBondContact O-CB 3.5Å; K447-S450 PolarHBondContact O-N 3.26Å; K447-S450 PolarHBondContact O-OG 3.27Å; I448-S450 PolarHBondContact O-N 3.16Å; S450-H452 VanDerWaalsContact C-N 3.32Å
451L88.6Confident86.6Confident28 Ų2844.4 Ų44.415%0.14725%0.254CS..THydrogen-bonded Turntrans-83-6.9177.6-60.7177.2000113.6F413 P417 L422 I448 G449 S453 V462F413-L451 HydrophobicContact CE2-CD1 4.08Å; F413-L451 HydrophobicContact CZ-CD1 4.03Å; P417-L451 HydrophobicContact CB-CD1 4.18Å; P417-L451 HydrophobicContact CB-CD2 4.06Å; P417-L451 HydrophobicContact CB-CG 4.31Å; L422-L451 HydrophobicContact CB-CD1 4.19Å; L422-L451 HydrophobicContact CD2-CD1 4.06Å; I448-L451 WeakPolarHBondContact O-CB 3.44Å; I448-L451 PolarHBondContact O-N 3.21Å; G449-L451 PolarHBondContact O-N 3.1Å; L451-S453 PolarHBondContact O-N 3.48Å; L451-V462 HydrophobicContact CB-CG2 4.15Å
452H89.3Confident86.6Confident45 Ų4544.3 Ų44.321%0.20825%0.253CS..  trans-60.4126175.9179.1-63.8000110.2G449 S450 N459 F463G449-H452 WeakPolarHBondContact O-CB 3.33Å; G449-H452 PolarHBondContact O-N 3.48Å; S450-H452 VanDerWaalsContact C-N 3.32Å; H452-N459 WeakPolarHBondContact CA-OD1 3.26Å; H452-F463 AromaticContact CD2-CZ 3.8Å; H452-F463 AromaticContact NE2-CZ 3.87Å
453S84.2Confident86.7Confident51 Ų5146.5 Ų46.536%0.35726%0.262SS..  trans-129.4-166.3-173.9750000111.7L451 D455 N459L451-S453 PolarHBondContact O-N 3.48Å; S453-D455 VanDerWaalsContact C-N 3.33Å; S453-D455 PolarHBondContact OG-N 3.29Å; S453-D455 VanDerWaalsContact OG-N 3.15Å; S453-N459 PolarHBondContact N-OD1 3.39Å; S453-N459 PolarHBondContact O-ND2 3.27Å
454Q77.3Confident86.8Confident200 Ų20047.2 Ų47.294%0.93527%0.265SS*.SBendtrans-85.1-7.4171.7-66.2-176.3-2.600112.7T456Q454-T456 PolarHBondContact O-N 3.04Å
455D82.8Confident86.8Confident81 Ų8146.7 Ų46.743%0.43326%0.263SS..  trans-81.4115.5177.9-178.7-6000110.9S453 V457 A458 N459S453-D455 VanDerWaalsContact C-N 3.33Å; S453-D455 PolarHBondContact OG-N 3.29Å; S453-D455 VanDerWaalsContact OG-N 3.15Å; D455-V457 VanDerWaalsContact C-N 3.29Å; D455-V457 PolarHBondContact O-N 3.14Å; D455-V457 PolarHBondContact OD1-N 3.44Å; D455-A458 HydrophobicContact CB-CB 3.98Å; D455-A458 PolarHBondContact O-N 3.25Å; D455-N459 WeakPolarHBondContact O-CB 3.22Å; D455-N459 PolarHBondContact O-N 3.44Å; D455-N459 PolarHBondContact O-ND2 2.91Å
456T78.6Confident86.8Confident114 Ų11446.7 Ų46.770%0.69926%0.263SS*.Hα-helixtrans-63.6-30.7179.9480000113.6Q454 A460Q454-T456 PolarHBondContact O-N 3.04Å; T456-A460 PolarHBondContact O-N 3.14Å
457V78.8Confident86.9Confident106 Ų10648.3 Ų48.364%0.64227%0.272SS*.Hα-helixtrans-76.5-45-179.4-178.50000110.1D455 N459 A460D455-V457 VanDerWaalsContact C-N 3.29Å; D455-V457 PolarHBondContact O-N 3.14Å; D455-V457 PolarHBondContact OD1-N 3.44Å; V457-N459 VanDerWaalsContact C-N 3.31Å; V457-N459 PolarHBondContact O-N 3.03Å; V457-A460 WeakPolarHBondContact O-CB 3.41Å; V457-A460 PolarHBondContact O-N 2.97Å
458A78.9Confident87Confident19 Ų1947.4 Ų47.416%0.15727%0.274CS..Hα-helixtrans-61.3-40.2174.800000111.8D455 A460 V461 V462D455-A458 HydrophobicContact CB-CB 3.98Å; D455-A458 PolarHBondContact O-N 3.25Å; A458-A460 VanDerWaalsContact C-N 3.32Å; A458-A460 PolarHBondContact O-N 3.49Å; A458-V461 PolarHBondContact O-N 3.41Å; A458-V462 WeakPolarHBondContact O-CG2 3.38Å; A458-V462 PolarHBondContact O-N 3.01Å; A458-V462 VanDerWaalsContact O-N 3.14Å
459N86.5Confident87Confident15 Ų1547.4 Ų47.48%0.0827%0.274CS..Hα-helixtrans-67.4-30.5178.3-70.1-15.1000113.2H452 S453 D455 V457 V461 V462 F463H452-N459 WeakPolarHBondContact CA-OD1 3.26Å; S453-N459 PolarHBondContact N-OD1 3.39Å; S453-N459 PolarHBondContact O-ND2 3.27Å; D455-N459 WeakPolarHBondContact O-CB 3.22Å; D455-N459 PolarHBondContact O-N 3.44Å; D455-N459 PolarHBondContact O-ND2 2.91Å; V457-N459 VanDerWaalsContact C-N 3.31Å; V457-N459 PolarHBondContact O-N 3.03Å; N459-V461 VanDerWaalsContact C-N 3.28Å; N459-V461 PolarHBondContact O-N 3.24Å; N459-V462 WeakPolarHBondContact O-CB 3.23Å; N459-V462 PolarHBondContact O-N 3.42Å; N459-F463 HydrophobicContact CB-CE2 4.17Å; N459-F463 WeakPolarHBondContact O-CD2 3.45Å; N459-F463 VanDerWaalsContact O-CG 3.32Å; N459-F463 WeakPolarHBondContact O-CG 3.4Å; N459-F463 PolarHBondContact O-N 2.91Å
460A86.1Confident87.1Confident60 Ų6047.5 Ų47.550%0.49627%0.274SS..Hα-helixtrans-61.2-39.6174.700000111.6T456 V457 A458 E464T456-A460 PolarHBondContact O-N 3.14Å; V457-A460 WeakPolarHBondContact O-CB 3.41Å; V457-A460 PolarHBondContact O-N 2.97Å; A458-A460 VanDerWaalsContact C-N 3.32Å; A458-A460 PolarHBondContact O-N 3.49Å; A460-E464 WeakPolarHBondContact O-CB 3.36Å; A460-E464 PolarHBondContact O-N 3.08Å
461V86.6Confident87.3Confident30 Ų3051 Ų5118%0.18228%0.283CS..Hα-helixtrans-68.5-41.7175.2-177.80000111L422 A458 N459 F463 E464 V465L422-V461 HydrophobicContact CD2-CG1 4.16Å; L422-V461 HydrophobicContact CG-CG1 4.18Å; A458-V461 PolarHBondContact O-N 3.41Å; N459-V461 VanDerWaalsContact C-N 3.28Å; N459-V461 PolarHBondContact O-N 3.24Å; V461-F463 VanDerWaalsContact C-N 3.35Å; V461-F463 PolarHBondContact O-N 3.25Å; V461-E464 PolarHBondContact O-N 3.43Å; V461-V465 WeakPolarHBondContact O-CG2 3.44Å; V461-V465 PolarHBondContact O-N 3.32Å
462V89.8Confident87.3Confident2 Ų253.8 Ų53.81%0.01229%0.294CS..Hα-helixtrans-56.7-48.6174.9170.80000111L422 I448 L451 A458 N459 V465 I466L422-V462 HydrophobicContact CD2-CB 4.4Å; L422-V462 HydrophobicContact CD2-CG2 3.67Å; I448-V462 HydrophobicContact CG2-CG1 4.1Å; L451-V462 HydrophobicContact CB-CG2 4.15Å; A458-V462 WeakPolarHBondContact O-CG2 3.38Å; A458-V462 PolarHBondContact O-N 3.01Å; A458-V462 VanDerWaalsContact O-N 3.14Å; N459-V462 WeakPolarHBondContact O-CB 3.23Å; N459-V462 PolarHBondContact O-N 3.42Å; V462-V465 PolarHBondContact O-N 3.47Å; V462-I466 HydrophobicContact CG1-CD1 3.88Å; V462-I466 WeakPolarHBondContact O-CB 3.28Å; V462-I466 VanDerWaalsContact O-CG1 3.32Å; V462-I466 WeakPolarHBondContact O-CG1 3.37Å; V462-I466 PolarHBondContact O-N 3.45Å
463F93.1Very high87.4Confident46 Ų4651.8 Ų51.820%0.20229%0.285CS..Hα-helixtrans-66-41178.6-64.3-36.7000112.7H452 N459 V461 V465 I466 D467 H516H452-F463 AromaticContact CD2-CZ 3.8Å; H452-F463 AromaticContact NE2-CZ 3.87Å; N459-F463 HydrophobicContact CB-CE2 4.17Å; N459-F463 WeakPolarHBondContact O-CD2 3.45Å; N459-F463 VanDerWaalsContact O-CG 3.32Å; N459-F463 WeakPolarHBondContact O-CG 3.4Å; N459-F463 PolarHBondContact O-N 2.91Å; V461-F463 VanDerWaalsContact C-N 3.35Å; V461-F463 PolarHBondContact O-N 3.25Å; F463-V465 VanDerWaalsContact C-N 3.35Å; F463-V465 PolarHBondContact O-N 3.42Å; F463-I466 PolarHBondContact O-N 3.31Å; F463-D467 WeakPolarHBondContact O-CB 3.33Å; F463-D467 VanDerWaalsContact O-CG 3.27Å; F463-D467 PolarHBondContact O-N 3.07Å; F463-H516 HydrophobicContact CD1-CB 3.84Å; F463-H516 AromaticContact CD1-CD2 3.76Å; F463-H516 AromaticContact CD1-CG 3.62Å; F463-H516 HydrophobicContact CE1-CB 3.72Å; F463-H516 AromaticContact CE1-CG 3.98Å; F463-H516 HydrophobicContact CG-CB 4.49Å; F463-H516 AromaticContact CG-CD2 3.91Å; F463-H516 AromaticContact CG-CG 3.84Å; F463-H516 AromaticContact CG-ND1 3.94Å; F463-H516 HydrophobicContact CZ-CB 4.27Å
464E91.4Very high87.8Confident87 Ų8749.7 Ų49.741%0.40727%0.269SS..Hα-helixtrans-57.3-46.3175.8-173.8-170.6169.500111.8K426 Q430 A460 V461 G468K426-E464 VanDerWaalsContact NZ-CD 3.34Å; K426-E464 IonicContact NZ-OE1 2.74Å; K426-E464 PolarHBondContact NZ-OE1 2.78Å; K426-E464 IonicContact NZ-OE2 3.11Å; K426-E464 PolarHBondContact NZ-OE2 2.85Å; K426-E464 VanDerWaalsContact NZ-OE2 3.11Å; Q430-E464 PolarHBondContact NE2-O 2.95Å; Q430-E464 VanDerWaalsContact NE2-O 3.15Å; A460-E464 WeakPolarHBondContact O-CB 3.36Å; A460-E464 PolarHBondContact O-N 3.08Å; V461-E464 PolarHBondContact O-N 3.43Å; E464-G468 PolarHBondContact O-N 2.9Å
465V89.2Confident88.3Confident0 Ų043.9 Ų43.90%025%0.251CS..Hα-helixtrans-68.4-45.1-179.9-176.30000110.8L422 K426 L429 Q430 I448 V461 V462 F463 D467 G468 V469L422-V465 HydrophobicContact CD1-CB 4.29Å; L422-V465 HydrophobicContact CD1-CG1 4.19Å; L422-V465 HydrophobicContact CD1-CG2 4Å; L422-V465 HydrophobicContact CG-CG2 4.17Å; K426-V465 HydrophobicContact CB-CG2 3.58Å; L429-V465 HydrophobicContact CB-CG1 4.43Å; Q430-V465 HydrophobicContact CG-CG1 4.46Å; I448-V465 HydrophobicContact CD1-CG1 3.66Å; V461-V465 WeakPolarHBondContact O-CG2 3.44Å; V461-V465 PolarHBondContact O-N 3.32Å; V462-V465 PolarHBondContact O-N 3.47Å; F463-V465 VanDerWaalsContact C-N 3.35Å; F463-V465 PolarHBondContact O-N 3.42Å; V465-D467 VanDerWaalsContact C-N 3.34Å; V465-D467 PolarHBondContact O-N 3.23Å; V465-G468 PolarHBondContact O-N 2.98Å; V465-G468 VanDerWaalsContact O-N 3.15Å; V465-V469 HydrophobicContact CG1-CG2 4.45Å; V465-V469 WeakPolarHBondContact O-CG2 3.39Å; V465-V469 PolarHBondContact O-N 2.77Å
466I92.8Very high88.5Confident0 Ų041.4 Ų41.40%024%0.242CC..Hα-helixtrans-60.5-43.1178.7-76.1-179.2000111.7F445 I448 V462 F463 G468 V469 L470 C513F445-I466 HydrophobicContact CD2-CD1 4.35Å; F445-I466 HydrophobicContact CD2-CG1 4.3Å; F445-I466 HydrophobicContact CD2-CG2 4.12Å; F445-I466 HydrophobicContact CE2-CD1 4Å; F445-I466 HydrophobicContact CE2-CG1 4.33Å; F445-I466 HydrophobicContact CE2-CG2 3.73Å; I448-I466 HydrophobicContact CB-CG1 4.27Å; I448-I466 HydrophobicContact CG2-CD1 3.98Å; I448-I466 HydrophobicContact CG2-CG1 3.69Å; V462-I466 HydrophobicContact CG1-CD1 3.88Å; V462-I466 WeakPolarHBondContact O-CB 3.28Å; V462-I466 VanDerWaalsContact O-CG1 3.32Å; V462-I466 WeakPolarHBondContact O-CG1 3.37Å; V462-I466 PolarHBondContact O-N 3.45Å; F463-I466 PolarHBondContact O-N 3.31Å; I466-G468 VanDerWaalsContact C-N 3.28Å; I466-G468 PolarHBondContact O-N 2.98Å; I466-V469 PolarHBondContact O-N 3.44Å; I466-L470 HydrophobicContact CG2-CD1 3.66Å; I466-L470 HydrophobicContact CG2-CG 4.11Å; I466-L470 WeakPolarHBondContact O-CB 3.47Å; I466-L470 WeakPolarHBondContact O-CG 3.27Å; I466-L470 PolarHBondContact O-N 3.08Å; I466-C513 HydrophobicContact CD1-CB 3.35Å; I466-C513 WeakPolarHBondContact CD1-SG 3.49Å
467D93.9Very high88.8Confident35 Ų3538.4 Ų38.419%0.18723%0.226CC..Hα-helixtrans-61.8-39177-74.8-24.7000111F463 V465 K471 H516 Q520 Y522F463-D467 WeakPolarHBondContact O-CB 3.33Å; F463-D467 VanDerWaalsContact O-CG 3.27Å; F463-D467 PolarHBondContact O-N 3.07Å; V465-D467 VanDerWaalsContact C-N 3.34Å; V465-D467 PolarHBondContact O-N 3.23Å; D467-K471 WeakPolarHBondContact O-CB 3.34Å; D467-K471 PolarHBondContact O-N 3.3Å; D467-H516 IonicContact OD1-CD2 3.94Å; D467-H516 IonicContact OD1-NE2 3.71Å; D467-H516 PolarHBondContact OD1-NE2 3.36Å; D467-H516 IonicContact OD2-CD2 3.69Å; D467-H516 IonicContact OD2-CE1 2.86Å; D467-H516 IonicContact OD2-NE2 2.75Å; D467-H516 PolarHBondContact OD2-NE2 3Å; D467-Q520 WeakPolarHBondContact OD1-CG 3.32Å; D467-Y522 HydrophobicContact CB-CE1 4.07Å; D467-Y522 WeakPolarHBondContact OD1-CE1 3.43Å; D467-Y522 PolarHBondContact OD1-OH 2.96Å
468G89.6Confident88.8Confident22 Ų2235.7 Ų35.723%0.22721%0.214CC..Hα-helixtrans-63.4-44.5173.800000113.5E464 V465 I466 K472E464-G468 PolarHBondContact O-N 2.9Å; V465-G468 PolarHBondContact O-N 2.98Å; V465-G468 VanDerWaalsContact O-N 3.15Å; I466-G468 VanDerWaalsContact C-N 3.28Å; I466-G468 PolarHBondContact O-N 2.98Å; G468-K472 PolarHBondContact O-N 2.94Å
469V89.2Confident88.8Confident1 Ų136.9 Ų36.91%0.00622%0.218CC..Hα-helixtrans-63.9-54.9178173.50000110.5V433 L444 I448 V465 I466 K472 V473V433-V469 HydrophobicContact CG2-CB 4.28Å; V433-V469 HydrophobicContact CG2-CG1 3.93Å; V433-V469 HydrophobicContact CG2-CG2 3.91Å; L444-V469 HydrophobicContact CD2-CG2 4.17Å; I448-V469 HydrophobicContact CD1-CG2 4.34Å; V465-V469 HydrophobicContact CG1-CG2 4.45Å; V465-V469 WeakPolarHBondContact O-CG2 3.39Å; V465-V469 PolarHBondContact O-N 2.77Å; I466-V469 PolarHBondContact O-N 3.44Å; V469-K472 PolarHBondContact O-N 3.15Å; V469-V473 WeakPolarHBondContact O-CG2 3.05Å; V469-V473 PolarHBondContact O-N 3.18Å; V469-V473 VanDerWaalsContact O-N 3.15Å
470L93.1Very high88.8Confident1 Ų138.7 Ų38.71%0.00523%0.226CC..Hα-helixtrans-69.9-35.6-174.7-68.1-177.1000112.4F445 I466 K472 V473 L474 F484 A517 Y522F445-L470 HydrophobicContact CD2-CD1 4.14Å; F445-L470 HydrophobicContact CD2-CD2 3.98Å; F445-L470 HydrophobicContact CD2-CG 4.12Å; F445-L470 HydrophobicContact CE2-CD1 3.83Å; F445-L470 HydrophobicContact CE2-CD2 4.4Å; F445-L470 HydrophobicContact CE2-CG 4.32Å; I466-L470 HydrophobicContact CG2-CD1 3.66Å; I466-L470 HydrophobicContact CG2-CG 4.11Å; I466-L470 WeakPolarHBondContact O-CB 3.47Å; I466-L470 WeakPolarHBondContact O-CG 3.27Å; I466-L470 PolarHBondContact O-N 3.08Å; L470-K472 VanDerWaalsContact C-N 3.27Å; L470-K472 PolarHBondContact O-N 3.35Å; L470-V473 PolarHBondContact O-N 3.25Å; L470-L474 HydrophobicContact CB-CD1 4.23Å; L470-L474 VanDerWaalsContact O-CB 3.23Å; L470-L474 WeakPolarHBondContact O-CB 3.39Å; L470-L474 WeakPolarHBondContact O-CG 3.45Å; L470-L474 PolarHBondContact O-N 2.92Å; L470-F484 HydrophobicContact CD2-CE1 3.52Å; L470-F484 HydrophobicContact CD2-CZ 3.44Å; L470-F484 VanDerWaalsContact CD2-CZ 3.44Å; L470-A517 HydrophobicContact CD1-CB 3.36Å; L470-Y522 HydrophobicContact CB-CD2 4.42Å; L470-Y522 HydrophobicContact CB-CE2 3.58Å; L470-Y522 HydrophobicContact CD1-CE2 4.45Å
471K92.9Very high88.9Confident128 Ų12835.9 Ų35.956%0.55720%0.203SC*.Hα-helixtrans-58.7-41.8173.4-176174.6-177.6176.30111D467 S475 Y522D467-K471 WeakPolarHBondContact O-CB 3.34Å; D467-K471 PolarHBondContact O-N 3.3Å; K471-S475 WeakPolarHBondContact O-CB 3.22Å; K471-S475 PolarHBondContact O-N 3.19Å; K471-S475 VanDerWaalsContact O-N 3.08Å; K471-S475 PolarHBondContact O-OG 3.44Å; K471-Y522 HydrophobicContact CB-CD1 3.95Å; K471-Y522 HydrophobicContact CB-CE1 4.43Å; K471-Y522 HydrophobicContact CB-CG 4.05Å; K471-Y522 HydrophobicContact CG-CD1 4.33Å; K471-Y522 HydrophobicContact CG-CG 4.35Å
472K90Very high88.9Confident86 Ų8637.2 Ų37.237%0.37421%0.207SC..Hα-helixtrans-66.8-40.4178.2-162.9179.4-172.5-175.80112.5Q430 Q431 V433 V435 G468 V469 L470Q430-K472 PolarHBondContact O-NZ 3.05Å; Q431-K472 PolarHBondContact O-NZ 3.47Å; V433-K472 HydrophobicContact CB-CD 4.01Å; V433-K472 HydrophobicContact CG1-CD 4.12Å; V433-K472 WeakPolarHBondContact O-CE 3.47Å; V433-K472 PolarHBondContact O-NZ 2.89Å; V435-K472 HydrophobicContact CG1-CG 4.24Å; V435-K472 WeakPolarHBondContact CG1-O 3.29Å; G468-K472 PolarHBondContact O-N 2.94Å; V469-K472 PolarHBondContact O-N 3.15Å; L470-K472 VanDerWaalsContact C-N 3.27Å; L470-K472 PolarHBondContact O-N 3.35Å
473V91Very high88.8Confident3 Ų339.7 Ų39.72%0.01822%0.223CC..Hα-helixtrans-80.1-43.4-176.4179.80000112.7V433 A441 V469 L470 A476 F484V433-V473 HydrophobicContact CG1-CG2 3.59Å; A441-V473 HydrophobicContact CB-CG2 4.11Å; V469-V473 WeakPolarHBondContact O-CG2 3.05Å; V469-V473 PolarHBondContact O-N 3.18Å; V469-V473 VanDerWaalsContact O-N 3.15Å; L470-V473 PolarHBondContact O-N 3.25Å; V473-A476 VanDerWaalsContact O-CB 3.26Å; V473-A476 WeakPolarHBondContact O-CB 3.45Å; V473-A476 PolarHBondContact O-N 3.25Å; V473-F484 HydrophobicContact CB-CG 4.49Å; V473-F484 HydrophobicContact CG1-CB 3.39Å; V473-F484 HydrophobicContact CG1-CD1 3.78Å; V473-F484 HydrophobicContact CG1-CD2 3.71Å; V473-F484 HydrophobicContact CG1-CE2 4.41Å; V473-F484 HydrophobicContact CG1-CG 3.34Å
474L91.5Very high88.7Confident7 Ų737.6 Ų37.64%0.03721%0.214CC..Hα-helixtrans-82.2-18.8-177.5-59.9-179.5000113.1L470 A476 F484 L485 Y522 F523 H527L470-L474 HydrophobicContact CB-CD1 4.23Å; L470-L474 VanDerWaalsContact O-CB 3.23Å; L470-L474 WeakPolarHBondContact O-CB 3.39Å; L470-L474 WeakPolarHBondContact O-CG 3.45Å; L470-L474 PolarHBondContact O-N 2.92Å; L474-A476 VanDerWaalsContact C-N 3.3Å; L474-F484 HydrophobicContact CD2-CD1 4.07Å; L474-F484 HydrophobicContact CD2-CE1 4.47Å; L474-L485 HydrophobicContact CD2-CD1 4.46Å; L474-L485 HydrophobicContact CD2-CD2 4.25Å; L474-L485 HydrophobicContact CD2-CG 4.21Å; L474-Y522 HydrophobicContact CB-CD2 4.44Å; L474-Y522 HydrophobicContact CD1-CD2 4.07Å; L474-Y522 HydrophobicContact CD1-CE2 4.06Å; L474-F523 HydrophobicContact CD1-CD2 3.43Å; L474-F523 VanDerWaalsContact CD1-CD2 3.43Å; L474-F523 HydrophobicContact CD1-CE2 3.61Å; L474-F523 HydrophobicContact CD1-CG 4.23Å; L474-H527 PolarHBondContact O-CE1 3.14Å; L474-H527 VanDerWaalsContact O-CE1 3.25Å
475S89.5Confident88.7Confident78 Ų7833.5 Ų33.555%0.54520%0.195SC..THydrogen-bonded Turntrans-905.4170.8-43.90000112.9K471K471-S475 WeakPolarHBondContact O-CB 3.22Å; K471-S475 PolarHBondContact O-N 3.19Å; K471-S475 VanDerWaalsContact O-N 3.08Å; K471-S475 PolarHBondContact O-OG 3.44Å
476A86.6Confident88.7Confident30 Ų3036.5 Ų36.525%0.24821%0.213CC..SBendtrans-76.8-166.517500000111V435 V473 L474 Q480V435-A476 HydrophobicContact CB-CB 4.21Å; V435-A476 HydrophobicContact CG1-CB 3.98Å; V473-A476 VanDerWaalsContact O-CB 3.26Å; V473-A476 WeakPolarHBondContact O-CB 3.45Å; V473-A476 PolarHBondContact O-N 3.25Å; L474-A476 VanDerWaalsContact C-N 3.3Å; A476-Q480 HydrophobicContact CB-CB 3.97Å
477S83.8Confident88.6Confident51 Ų5137.5 Ų37.536%0.35722%0.22SC..  trans-61151.217363.90000111.3L479 Q480 S481S477-L479 PolarHBondContact O-N 3.33Å; S477-Q480 PolarHBondContact O-N 2.76Å; S477-Q480 VanDerWaalsContact OG-CD 3.32Å; S477-Q480 VanDerWaalsContact OG-CG 3.31Å; S477-Q480 WeakPolarHBondContact OG-CG 3.49Å; S477-Q480 PolarHBondContact OG-N 3.46Å; S477-Q480 PolarHBondContact OG-OE1 2.91Å; S477-S481 PolarHBondContact O-N 3.12Å
478A79.7Confident88.4Confident49 Ų4936 Ų3641%0.40521%0.211SC..Hα-helixtrans-54-39.8178.400000111.8Q480 S481 H482A478-Q480 PolarHBondContact O-N 2.86Å; A478-S481 PolarHBondContact O-N 3.49Å; A478-S481 PolarHBondContact O-OG 3.49Å; A478-H482 WeakPolarHBondContact O-CB 3.43Å; A478-H482 PolarHBondContact O-CD2 3.42Å; A478-H482 VanDerWaalsContact O-CG 3.3Å; A478-H482 PolarHBondContact O-N 2.76Å
479L79.1Confident88.5Confident44 Ų4435 Ų3523%0.2320%0.201CC..Hα-helixtrans-59-46174.5-177.966.7000112.1A286 S477 H482 C483A286-L479 HydrophobicContact CB-CD1 4.24Å; S477-L479 PolarHBondContact O-N 3.33Å; L479-H482 PolarHBondContact O-N 2.83Å; L479-C483 VanDerWaalsContact O-CB 3.29Å; L479-C483 WeakPolarHBondContact O-CB 3.46Å; L479-C483 PolarHBondContact O-N 3.4Å; L479-C483 PolarHBondContact O-SG 3.49Å
480Q85.1Confident88.4Confident53 Ų5335.7 Ų35.725%0.24821%0.205CC..Hα-helixtrans-68.3-39.3-178.2-74.9167.7-39.500112.1A476 S477 A478 F484A476-Q480 HydrophobicContact CB-CB 3.97Å; S477-Q480 PolarHBondContact O-N 2.76Å; S477-Q480 VanDerWaalsContact OG-CD 3.32Å; S477-Q480 VanDerWaalsContact OG-CG 3.31Å; S477-Q480 WeakPolarHBondContact OG-CG 3.49Å; S477-Q480 PolarHBondContact OG-N 3.46Å; S477-Q480 PolarHBondContact OG-OE1 2.91Å; A478-Q480 PolarHBondContact O-N 2.86Å; Q480-F484 WeakPolarHBondContact O-CB 3.4Å; Q480-F484 PolarHBondContact O-N 2.95Å
481S89.1Confident88.2Confident1 Ų136.1 Ų36.11%0.00721%0.207CC..Hα-helixtrans-67.2-41.8176.866.10000111.6S477 A478 F484 L485 H527S477-S481 PolarHBondContact O-N 3.12Å; A478-S481 PolarHBondContact O-N 3.49Å; A478-S481 PolarHBondContact O-OG 3.49Å; S481-F484 PolarHBondContact O-N 3.23Å; S481-L485 WeakPolarHBondContact O-CG 3.38Å; S481-L485 PolarHBondContact O-N 3.18Å; S481-H527 WeakPolarHBondContact CB-NE2 3.33Å; S481-H527 PolarHBondContact OG-NE2 3.34Å
482H87.3Confident88Confident58 Ų5830.7 Ų30.727%0.26918%0.184SC..Hα-helixtrans-68-42.2175.2-67.5-53.4000112.8A478 L479 F484 L485 T486 D526A478-H482 WeakPolarHBondContact O-CB 3.43Å; A478-H482 PolarHBondContact O-CD2 3.42Å; A478-H482 VanDerWaalsContact O-CG 3.3Å; A478-H482 PolarHBondContact O-N 2.76Å; L479-H482 PolarHBondContact O-N 2.83Å; H482-F484 VanDerWaalsContact C-N 3.28Å; H482-F484 PolarHBondContact O-N 3.1Å; H482-L485 PolarHBondContact O-N 2.97Å; H482-T486 WeakPolarHBondContact O-CB 3.42Å; H482-T486 PolarHBondContact O-N 3.11Å; H482-T486 PolarHBondContact O-OG1 3.14Å; H482-T486 VanDerWaalsContact O-OG1 3.07Å; H482-D526 IonicContact CE1-OD2 2.97Å; H482-D526 PolarHBondContact CE1-OD2 2.84Å; H482-D526 IonicContact NE2-OD2 3.46Å
483C87.1Confident87.7Confident53 Ų5327.8 Ų27.836%0.35818%0.179SC..Hα-helixtrans-55.8-45.9173.8-770000110.8P438 L479 T487P438-C483 HydrophobicContact CB-CB 4.47Å; P438-C483 HydrophobicContact CG-CB 4.38Å; L479-C483 VanDerWaalsContact O-CB 3.29Å; L479-C483 WeakPolarHBondContact O-CB 3.46Å; L479-C483 PolarHBondContact O-N 3.4Å; L479-C483 PolarHBondContact O-SG 3.49Å; C483-T487 WeakPolarHBondContact O-CB 3.18Å; C483-T487 PolarHBondContact O-N 3.48Å; C483-T487 PolarHBondContact O-OG1 2.93Å
484F91.9Very high87.4Confident2 Ų227.7 Ų27.71%0.00918%0.178CC..Hα-helixtrans-60.6-48.5175.8169-97.6000113P438 A441 A442 F445 L470 V473 L474 Q480 S481 H482 T486 T487 L488P438-F484 HydrophobicContact CB-CB 4.4Å; A441-F484 HydrophobicContact CB-CD2 3.97Å; A441-F484 HydrophobicContact CB-CE2 4.02Å; A442-F484 HydrophobicContact CB-CD2 4.31Å; A442-F484 HydrophobicContact CB-CE2 4.04Å; F445-F484 HydrophobicContact CB-CZ 4.45Å; L470-F484 HydrophobicContact CD2-CE1 3.52Å; L470-F484 HydrophobicContact CD2-CZ 3.44Å; L470-F484 VanDerWaalsContact CD2-CZ 3.44Å; V473-F484 HydrophobicContact CB-CG 4.49Å; V473-F484 HydrophobicContact CG1-CB 3.39Å; V473-F484 HydrophobicContact CG1-CD1 3.78Å; V473-F484 HydrophobicContact CG1-CD2 3.71Å; V473-F484 HydrophobicContact CG1-CE2 4.41Å; V473-F484 HydrophobicContact CG1-CG 3.34Å; L474-F484 HydrophobicContact CD2-CD1 4.07Å; L474-F484 HydrophobicContact CD2-CE1 4.47Å; Q480-F484 WeakPolarHBondContact O-CB 3.4Å; Q480-F484 PolarHBondContact O-N 2.95Å; S481-F484 PolarHBondContact O-N 3.23Å; H482-F484 VanDerWaalsContact C-N 3.28Å; H482-F484 PolarHBondContact O-N 3.1Å; F484-T486 VanDerWaalsContact C-N 3.34Å; F484-T486 PolarHBondContact O-N 2.64Å; F484-T487 PolarHBondContact O-N 2.99Å; F484-L488 HydrophobicContact CE1-CD2 4.31Å; F484-L488 HydrophobicContact CZ-CD2 4.37Å; F484-L488 WeakPolarHBondContact O-CB 3.39Å; F484-L488 PolarHBondContact O-N 2.97Å
485L91.1Very high87Confident1 Ų129.3 Ų29.31%0.00519%0.187CC..Hα-helixtrans-62.2-42.1-178.8-71.1173.7000111.7L474 S481 H482 L488 L489 H527L474-L485 HydrophobicContact CD2-CD1 4.46Å; L474-L485 HydrophobicContact CD2-CD2 4.25Å; L474-L485 HydrophobicContact CD2-CG 4.21Å; S481-L485 WeakPolarHBondContact O-CG 3.38Å; S481-L485 PolarHBondContact O-N 3.18Å; H482-L485 PolarHBondContact O-N 2.97Å; L485-L488 PolarHBondContact O-N 2.89Å; L485-L489 VanDerWaalsContact O-CG 3.28Å; L485-L489 WeakPolarHBondContact O-CG 3.44Å; L485-L489 PolarHBondContact O-N 2.87Å; L485-H527 HydrophobicContact CD1-CB 4.05Å
486T88.4Confident86.3Confident63 Ų6335 Ų3539%0.38720%0.202SC..Hα-helixtrans-66-45.4176.4-56.70000111.2H482 F484 L488 L489 V490 L495H482-T486 WeakPolarHBondContact O-CB 3.42Å; H482-T486 PolarHBondContact O-N 3.11Å; H482-T486 PolarHBondContact O-OG1 3.14Å; H482-T486 VanDerWaalsContact O-OG1 3.07Å; F484-T486 VanDerWaalsContact C-N 3.34Å; F484-T486 PolarHBondContact O-N 2.64Å; T486-L488 VanDerWaalsContact C-N 3.32Å; T486-L488 PolarHBondContact O-N 2.92Å; T486-L489 PolarHBondContact O-N 3.38Å; T486-V490 WeakPolarHBondContact O-CG2 3.47Å; T486-V490 PolarHBondContact O-N 3.28Å; T486-L495 HydrophobicContact CG2-CD1 4.01Å
487T90.1Very high85.4Confident22 Ų2235.2 Ų35.214%0.13521%0.207CC..Hα-helixtrans-57.9-44.7174.3-65.60000111.7N439 A442 C483 F484 L489 V490 M491N439-T487 WeakPolarHBondContact OD1-CG2 3.42Å; A442-T487 HydrophobicContact CB-CG2 3.92Å; C483-T487 WeakPolarHBondContact O-CB 3.18Å; C483-T487 PolarHBondContact O-N 3.48Å; C483-T487 PolarHBondContact O-OG1 2.93Å; F484-T487 PolarHBondContact O-N 2.99Å; T487-L489 VanDerWaalsContact C-N 3.32Å; T487-L489 PolarHBondContact O-N 3.42Å; T487-V490 PolarHBondContact O-N 3.24Å; T487-M491 HydrophobicContact CG2-CG 4.43Å; T487-M491 HydrophobicContact CG2-SD 4.12Å; T487-M491 WeakPolarHBondContact O-CG 3.24Å; T487-M491 PolarHBondContact O-N 3.46Å
488L91.3Very high84Confident2 Ų237.1 Ų37.11%0.0121%0.21CC..Hα-helixtrans-58.9-45.6177.4179.763.8000111.1A442 F445 L446 F484 L485 T486 V490 M491 I492 L514A442-L488 HydrophobicContact CB-CB 4.4Å; A442-L488 HydrophobicContact CB-CD1 4.4Å; F445-L488 HydrophobicContact CD1-CD1 3.65Å; F445-L488 HydrophobicContact CD1-CD2 4.21Å; F445-L488 HydrophobicContact CE1-CD1 4.05Å; F445-L488 HydrophobicContact CE1-CD2 4.13Å; L446-L488 HydrophobicContact CD1-CD1 4.02Å; L446-L488 HydrophobicContact CD2-CD1 3.72Å; L446-L488 HydrophobicContact CG-CD1 3.74Å; F484-L488 HydrophobicContact CE1-CD2 4.31Å; F484-L488 HydrophobicContact CZ-CD2 4.37Å; F484-L488 WeakPolarHBondContact O-CB 3.39Å; F484-L488 PolarHBondContact O-N 2.97Å; L485-L488 PolarHBondContact O-N 2.89Å; T486-L488 VanDerWaalsContact C-N 3.32Å; T486-L488 PolarHBondContact O-N 2.92Å; L488-V490 PolarHBondContact O-N 3.15Å; L488-M491 PolarHBondContact O-N 3.26Å; L488-I492 HydrophobicContact CD1-CG2 4.48Å; L488-I492 WeakPolarHBondContact O-CG1 3.36Å; L488-I492 PolarHBondContact O-N 3.36Å; L488-L514 HydrophobicContact CD2-CD1 4.15Å; L488-L514 HydrophobicContact CD2-CD2 3.9Å
489L89.9Confident83Confident1 Ų137.2 Ų37.21%0.00522%0.216CC..Hα-helixtrans-64.1-36.4178.5-72.6168.6000113.1L485 T486 T487 I492 G493 V494 L495 L531 L534 L535L485-L489 VanDerWaalsContact O-CG 3.28Å; L485-L489 WeakPolarHBondContact O-CG 3.44Å; L485-L489 PolarHBondContact O-N 2.87Å; T486-L489 PolarHBondContact O-N 3.38Å; T487-L489 VanDerWaalsContact C-N 3.32Å; T487-L489 PolarHBondContact O-N 3.42Å; L489-I492 HydrophobicContact CD2-CD1 4.21Å; L489-I492 WeakPolarHBondContact O-CG1 3.27Å; L489-G493 PolarHBondContact O-N 2.83Å; L489-V494 HydrophobicContact CB-CB 4.43Å; L489-V494 HydrophobicContact CD2-CB 3.87Å; L489-V494 HydrophobicContact CD2-CG1 3.78Å; L489-V494 HydrophobicContact CD2-CG2 4.35Å; L489-V494 PolarHBondContact O-N 3.25Å; L489-L495 HydrophobicContact CB-CB 4.29Å; L489-L495 HydrophobicContact CB-CD1 3.72Å; L489-L495 HydrophobicContact CB-CG 3.85Å; L489-L495 HydrophobicContact CD1-CD1 3.92Å; L489-L495 HydrophobicContact CD1-CG 4.46Å; L489-L495 HydrophobicContact CG-CD1 4.49Å; L489-L495 PolarHBondContact O-N 3.36Å; L489-L495 VanDerWaalsContact O-N 3.1Å; L489-L531 HydrophobicContact CD1-CD1 3.96Å; L489-L531 HydrophobicContact CD2-CD1 3.73Å; L489-L531 HydrophobicContact CG-CD1 4.01Å; L489-L534 HydrophobicContact CD1-CB 3.74Å; L489-L534 HydrophobicContact CD1-CD1 3.38Å; L489-L534 HydrophobicContact CD1-CG 4.18Å; L489-L535 HydrophobicContact CD2-CD2 3.97Å; L489-L535 HydrophobicContact CD2-CG 4.27Å
490V88.5Confident82.1Confident17 Ų1745.2 Ų45.210%0.10325%0.249CC..Hα-helixtrans-64.6-47.11721710000110.8T486 T487 L488 I492 G493 L495 V501T486-V490 WeakPolarHBondContact O-CG2 3.47Å; T486-V490 PolarHBondContact O-N 3.28Å; T487-V490 PolarHBondContact O-N 3.24Å; L488-V490 PolarHBondContact O-N 3.15Å; V490-I492 VanDerWaalsContact C-N 3.33Å; V490-I492 PolarHBondContact O-N 3.42Å; V490-G493 PolarHBondContact O-N 3.15Å; V490-L495 HydrophobicContact CG2-CB 3.85Å; V490-V501 HydrophobicContact CG1-CB 4.05Å; V490-V501 HydrophobicContact CG1-CG1 4Å
491M88.9Confident81.3Confident10 Ų1044.9 Ų44.95%0.04925%0.25CS..Hα-helixtrans-63.7-35.3-178-71.5-17781.700113.2A442 E443 L446 T487 L488 G493 V501 K503 V504A442-M491 HydrophobicContact CB-SD 3.52Å; A442-M491 VanDerWaalsContact CB-SD 3.52Å; E443-M491 HydrophobicContact CB-CE 3.92Å; E443-M491 HydrophobicContact CG-CE 4.34Å; L446-M491 HydrophobicContact CD1-CB 3.68Å; L446-M491 HydrophobicContact CD1-CE 4.12Å; L446-M491 HydrophobicContact CD1-SD 4.21Å; T487-M491 HydrophobicContact CG2-CG 4.43Å; T487-M491 HydrophobicContact CG2-SD 4.12Å; T487-M491 WeakPolarHBondContact O-CG 3.24Å; T487-M491 PolarHBondContact O-N 3.46Å; L488-M491 PolarHBondContact O-N 3.26Å; M491-G493 VanDerWaalsContact C-N 3.28Å; M491-V501 HydrophobicContact CG-CG1 3.44Å; M491-V501 VanDerWaalsContact CG-CG1 3.44Å; M491-V501 HydrophobicContact SD-CG1 4.43Å; M491-K503 WeakPolarHBondContact O-CA 3.36Å; M491-V504 HydrophobicContact CE-CG2 3.7Å; M491-V504 PolarHBondContact O-N 3.48Å
492I87.8Confident80.6Confident13 Ų1353.3 Ų53.37%0.06729%0.287CS..THydrogen-bonded Turntrans-84.70.5175.167.4173.5000113.7L446 L488 L489 V490 V494 L506 L542L446-I492 HydrophobicContact CD1-CG2 4.2Å; L446-I492 HydrophobicContact CD2-CG2 3.52Å; L488-I492 HydrophobicContact CD1-CG2 4.48Å; L488-I492 WeakPolarHBondContact O-CG1 3.36Å; L488-I492 PolarHBondContact O-N 3.36Å; L489-I492 HydrophobicContact CD2-CD1 4.21Å; L489-I492 WeakPolarHBondContact O-CG1 3.27Å; V490-I492 VanDerWaalsContact C-N 3.33Å; V490-I492 PolarHBondContact O-N 3.42Å; I492-V494 HydrophobicContact CD1-CB 4.47Å; I492-V494 HydrophobicContact CD1-CG2 3.75Å; I492-V494 HydrophobicContact CG1-CB 4.24Å; I492-V494 HydrophobicContact CG1-CG2 3.79Å; I492-L506 HydrophobicContact CB-CD1 3.95Å; I492-L506 HydrophobicContact CG2-CD1 3.73Å; I492-L542 HydrophobicContact CD1-CD2 4.49Å
493G83.5Confident80.3Confident25 Ų2557.5 Ų57.526%0.25830%0.304SS..THydrogen-bonded Turntrans78.115.7175.300000115.4L489 V490 M491 A541L489-G493 PolarHBondContact O-N 2.83Å; V490-G493 PolarHBondContact O-N 3.15Å; M491-G493 VanDerWaalsContact C-N 3.28Å; G493-A541 WeakPolarHBondContact O-CB 3.48Å
494V84.6Confident80.1Confident2 Ų256.8 Ų56.81%0.01230%0.298CS..SBendtrans-80-33.1173.9173.40000111.1L489 I492 L535 N538 A541 L542L489-V494 HydrophobicContact CB-CB 4.43Å; L489-V494 HydrophobicContact CD2-CB 3.87Å; L489-V494 HydrophobicContact CD2-CG1 3.78Å; L489-V494 HydrophobicContact CD2-CG2 4.35Å; L489-V494 PolarHBondContact O-N 3.25Å; I492-V494 HydrophobicContact CD1-CB 4.47Å; I492-V494 HydrophobicContact CD1-CG2 3.75Å; I492-V494 HydrophobicContact CG1-CB 4.24Å; I492-V494 HydrophobicContact CG1-CG2 3.79Å; V494-L535 HydrophobicContact CG1-CD2 4.2Å; V494-L535 HydrophobicContact CG2-CD2 3.98Å; V494-N538 HydrophobicContact CG1-CB 4.04Å; V494-N538 PolarHBondContact O-ND2 3.5Å; V494-A541 HydrophobicContact CG2-CB 4.28Å; V494-L542 HydrophobicContact CG2-CD1 4.08Å; V494-L542 HydrophobicContact CG2-CD2 3.78Å; V494-L542 HydrophobicContact CG2-CG 3.98Å
495L83.4Confident79.6Confident41 Ų4162 Ų6222%0.21533%0.332CS..SBendtrans-113.1149.8171.8-68177.8000110.6T486 L489 V490 L534T486-L495 HydrophobicContact CG2-CD1 4.01Å; L489-L495 HydrophobicContact CB-CB 4.29Å; L489-L495 HydrophobicContact CB-CD1 3.72Å; L489-L495 HydrophobicContact CB-CG 3.85Å; L489-L495 HydrophobicContact CD1-CD1 3.92Å; L489-L495 HydrophobicContact CD1-CG 4.46Å; L489-L495 HydrophobicContact CG-CD1 4.49Å; L489-L495 PolarHBondContact O-N 3.36Å; L489-L495 VanDerWaalsContact O-N 3.1Å; V490-L495 HydrophobicContact CG2-CB 3.85Å; L495-L534 HydrophobicContact CD1-CD1 4.4Å; L495-L534 HydrophobicContact CD2-CD2 4.31Å
496K74.7Confident79.3Confident197 Ų19763.6 Ų63.686%0.85734%0.34SS*.  trans-77.5136.9161.1-67.5-174.9177.2-174.80107.3
497G68.1Low79.3Confident35 Ų3563.2 Ų63.236%0.36134%0.338SS..  trans-118.6148.8176.600000110.6G499G497-G499 PolarHBondContact O-N 3.05Å
498E53.5Low79.3Confident91 Ų9165.3 Ų65.343%0.42535%0.352SS..SBendtrans-90.678.1179.7-65.4174.9-168.100109.4K250K250-E498 PolarHBondContact NZ-O 3.32Å
499G59.4Low79.2Confident51 Ų5165.4 Ų65.453%0.52635%0.354SS..SBendtrans160.5173.7174.300000114.2G497 V501G497-G499 PolarHBondContact O-N 3.05Å; G499-V501 PolarHBondContact O-N 3.17Å
500K60.1Low79.4Confident211 Ų21165.6 Ų65.692%0.91735%0.354SS*.  trans-71.742.7177.7-63.4-179.4-178.5172.60113.2K502K500-K502 PolarHBondContact O-N 3.26Å
501V68.2Low79.5Confident46 Ų4664.8 Ų64.828%0.27935%0.35SS..  trans-73110.6173.7-179.50000107.9V490 M491 G499 K503V490-V501 HydrophobicContact CG1-CB 4.05Å; V490-V501 HydrophobicContact CG1-CG1 4Å; M491-V501 HydrophobicContact CG-CG1 3.44Å; M491-V501 VanDerWaalsContact CG-CG1 3.44Å; M491-V501 HydrophobicContact SD-CG1 4.43Å; G499-V501 PolarHBondContact O-N 3.17Å; V501-K503 PolarHBondContact O-N 3.33Å; V501-K503 VanDerWaalsContact O-N 3.16Å
502K74.9Confident79.7Confident178 Ų17865.5 Ų65.577%0.77435%0.354SS*.PPolyproline II helixtrans-65.1116.6-177.6-170.5177.1-179179.70109.9K500 V504K500-K502 PolarHBondContact O-N 3.26Å; K502-V504 PolarHBondContact O-N 3.43Å
503K80.8Confident80Confident147 Ų14764.9 Ų64.964%0.63935%0.35SS*.PPolyproline II helixtrans-59.8135.3171.3-68.6-176179.7178.70109.9M491 V501M491-K503 WeakPolarHBondContact O-CA 3.36Å; V501-K503 PolarHBondContact O-N 3.33Å; V501-K503 VanDerWaalsContact O-N 3.16Å
504V82.2Confident80.5Confident37 Ų3764 Ų6422%0.22434%0.34CS..PPolyproline II helixtrans-102131.4177.5-178.80000108.5L446 M491 K502 L506L446-V504 HydrophobicContact CB-CG1 4.35Å; L446-V504 HydrophobicContact CD1-CB 3.99Å; L446-V504 HydrophobicContact CD1-CG1 4.44Å; L446-V504 HydrophobicContact CD1-CG2 3.85Å; M491-V504 HydrophobicContact CE-CG2 3.7Å; M491-V504 PolarHBondContact O-N 3.48Å; K502-V504 PolarHBondContact O-N 3.43Å; V504-L506 PolarHBondContact O-N 3.4Å; V504-L506 VanDerWaalsContact O-N 3.12Å
505P81.6Confident81Confident111 Ų11165 Ų6572%0.72134%0.344SS*.PPolyproline II helixtrans-56.5118.9172.8-2433.8000110.5
506L85.2Confident81.5Confident35 Ų3564.9 Ų64.918%0.18334%0.343CS..PPolyproline II helixtrans-77.4131.9-176.9-172.878000110.9I492 V504 Q510 L511 L542 C545I492-L506 HydrophobicContact CB-CD1 3.95Å; I492-L506 HydrophobicContact CG2-CD1 3.73Å; V504-L506 PolarHBondContact O-N 3.4Å; V504-L506 VanDerWaalsContact O-N 3.12Å; L506-Q510 VanDerWaalsContact CA-OE1 3.31Å; L506-Q510 HydrophobicContact CD1-CB 4.3Å; L506-Q510 VanDerWaalsContact CD1-OE1 3.29Å; L506-L511 HydrophobicContact CD1-CD2 4.11Å; L506-L511 HydrophobicContact CD1-CG 4.33Å; L506-L511 HydrophobicContact CD2-CD1 4.21Å; L506-L511 HydrophobicContact CD2-CD2 4.47Å; L506-L511 HydrophobicContact CD2-CG 4.38Å; L506-L542 HydrophobicContact CD2-CD2 3.3Å; L506-C545 HydrophobicContact CD2-CB 4.19Å
507V89.4Confident82.5Confident56 Ų5655.5 Ų55.534%0.33930%0.302SS..  trans-122.3152.4171.4-62.40000110.9G509 Q510 C545V507-G509 PolarHBondContact O-N 3.1Å; V507-Q510 HydrophobicContact CG2-CG 4.04Å; V507-Q510 PolarHBondContact O-N 3.04Å; V507-Q510 VanDerWaalsContact O-N 3.1Å; V507-C545 VanDerWaalsContact C-SG 3.56Å
508P89Confident83.8Confident65 Ų6553.9 Ų53.942%0.42229%0.285SS..Hα-helixtrans-54.4-33.8-174.9-28.935.6000114.1Q510 L511 L512 C545 A548P508-Q510 VanDerWaalsContact C-N 3.27Å; P508-Q510 PolarHBondContact O-N 2.94Å; P508-L511 PolarHBondContact O-N 3.49Å; P508-L511 VanDerWaalsContact O-N 3.17Å; P508-L512 WeakPolarHBondContact O-CG 3.16Å; P508-L512 PolarHBondContact O-N 2.93Å; P508-C545 VanDerWaalsContact CD-SG 3.58Å; P508-C545 HydrophobicContact CG-CB 4.47Å; P508-C545 VanDerWaalsContact N-SG 3.42Å; P508-A548 HydrophobicContact CB-CB 4.1Å
509G89.6Confident85.6Confident5 Ų555.5 Ų55.55%0.05229%0.292CS..Hα-helixtrans-53.4-39.3178.700000114.6G449 V507 L511 L512 C513G449-G509 CarbonylContact O-C 3.17Å; G449-G509 WeakPolarHBondContact O-CA 3.27Å; V507-G509 PolarHBondContact O-N 3.1Å; G509-L511 PolarHBondContact O-N 2.92Å; G509-L512 PolarHBondContact O-N 3.45Å; G509-C513 PolarHBondContact O-N 3.35Å; G509-C513 PolarHBondContact O-SG 2.85Å
510Q93Very high87.3Confident4 Ų455.8 Ų55.82%0.01928%0.28CS..Hα-helixtrans-66-40.2-179.3-67.8158.8-27.100111.6L446 G449 L506 V507 P508 C513 L514L446-Q510 HydrophobicContact CD2-CB 4.24Å; L446-Q510 HydrophobicContact CD2-CG 4.09Å; L446-Q510 WeakPolarHBondContact O-CG 3.42Å; L446-Q510 PolarHBondContact O-NE2 3.32Å; G449-Q510 PolarHBondContact O-N 2.9Å; L506-Q510 VanDerWaalsContact CA-OE1 3.31Å; L506-Q510 HydrophobicContact CD1-CB 4.3Å; L506-Q510 VanDerWaalsContact CD1-OE1 3.29Å; V507-Q510 HydrophobicContact CG2-CG 4.04Å; V507-Q510 PolarHBondContact O-N 3.04Å; V507-Q510 VanDerWaalsContact O-N 3.1Å; P508-Q510 VanDerWaalsContact C-N 3.27Å; P508-Q510 PolarHBondContact O-N 2.94Å; Q510-C513 PolarHBondContact O-N 3.44Å; Q510-L514 PolarHBondContact O-N 3.38Å; Q510-L514 VanDerWaalsContact O-N 3.15Å
511L92.1Very high88.8Confident1 Ų154.9 Ų54.91%0.00528%0.279CS..Hα-helixtrans-72.1-36.3176.9-60.7-172.3000112L506 P508 G509 C513 L514 E515 C545 A548 R549 L552L506-L511 HydrophobicContact CD1-CD2 4.11Å; L506-L511 HydrophobicContact CD1-CG 4.33Å; L506-L511 HydrophobicContact CD2-CD1 4.21Å; L506-L511 HydrophobicContact CD2-CD2 4.47Å; L506-L511 HydrophobicContact CD2-CG 4.38Å; P508-L511 PolarHBondContact O-N 3.49Å; P508-L511 VanDerWaalsContact O-N 3.17Å; G509-L511 PolarHBondContact O-N 2.92Å; L511-C513 VanDerWaalsContact C-N 3.28Å; L511-C513 PolarHBondContact O-N 3.12Å; L511-L514 HydrophobicContact CD2-CD1 4.42Å; L511-L514 WeakPolarHBondContact O-CB 3.47Å; L511-L514 PolarHBondContact O-N 3.39Å; L511-E515 PolarHBondContact O-N 3.42Å; L511-C545 HydrophobicContact CD1-CB 3.7Å; L511-A548 HydrophobicContact CB-CB 3.85Å; L511-A548 HydrophobicContact CD1-CB 4.24Å; L511-R549 HydrophobicContact CD1-CB 4.1Å; L511-L552 HydrophobicContact CB-CD2 4.46Å; L511-L552 HydrophobicContact CD2-CD2 4.1Å
512L92.7Very high89.9Confident25 Ų2554 Ų5413%0.13127%0.271CS..Hα-helixtrans-65.7-32.8174.5-66176.3000112P508 G509 E515 H516 A548P508-L512 WeakPolarHBondContact O-CG 3.16Å; P508-L512 PolarHBondContact O-N 2.93Å; G509-L512 PolarHBondContact O-N 3.45Å; L512-E515 WeakPolarHBondContact CD2-OE2 2.98Å; L512-E515 WeakPolarHBondContact O-CB 3.36Å; L512-E515 PolarHBondContact O-N 2.85Å; L512-H516 PolarHBondContact O-N 3.24Å; L512-A548 HydrophobicContact CD2-CB 3.99Å; L512-A548 HydrophobicContact CG-CB 4.04Å
513C94.3Very high90.8Very high0 Ų045.6 Ų45.60%023%0.234CC..Hα-helixtrans-69.9-37.9172.7-66.20000112.5F445 I466 G509 Q510 L511 E515 H516 A517F445-C513 HydrophobicContact CE2-CB 4.3Å; F445-C513 HydrophobicContact CZ-CB 4.15Å; I466-C513 HydrophobicContact CD1-CB 3.35Å; I466-C513 WeakPolarHBondContact CD1-SG 3.49Å; G509-C513 PolarHBondContact O-N 3.35Å; G509-C513 PolarHBondContact O-SG 2.85Å; Q510-C513 PolarHBondContact O-N 3.44Å; L511-C513 VanDerWaalsContact C-N 3.28Å; L511-C513 PolarHBondContact O-N 3.12Å; C513-E515 VanDerWaalsContact C-N 3.34Å; C513-H516 PolarHBondContact O-N 2.92Å; C513-A517 WeakPolarHBondContact O-CB 3.37Å; C513-A517 PolarHBondContact O-N 3.39Å
514L93.3Very high91.3Very high6 Ų641.5 Ų41.53%0.03122%0.222CC..Hα-helixtrans-63-41.5169.6-76176.4000111.4F445 L488 Q510 L511 H516 A517 V518 L552F445-L514 HydrophobicContact CE1-CD1 4.49Å; F445-L514 HydrophobicContact CE1-CD2 3.94Å; F445-L514 HydrophobicContact CE1-CG 3.91Å; F445-L514 HydrophobicContact CE2-CD2 4.26Å; F445-L514 HydrophobicContact CZ-CD2 3.55Å; F445-L514 HydrophobicContact CZ-CG 3.59Å; L488-L514 HydrophobicContact CD2-CD1 4.15Å; L488-L514 HydrophobicContact CD2-CD2 3.9Å; Q510-L514 PolarHBondContact O-N 3.38Å; Q510-L514 VanDerWaalsContact O-N 3.15Å; L511-L514 HydrophobicContact CD2-CD1 4.42Å; L511-L514 WeakPolarHBondContact O-CB 3.47Å; L511-L514 PolarHBondContact O-N 3.39Å; L514-H516 VanDerWaalsContact C-N 3.32Å; L514-H516 PolarHBondContact O-N 2.89Å; L514-A517 PolarHBondContact O-N 3.15Å; L514-V518 VanDerWaalsContact O-CG2 3.22Å; L514-V518 WeakPolarHBondContact O-CG2 3.4Å; L514-V518 PolarHBondContact O-N 3.19Å; L514-L552 HydrophobicContact CB-CD1 3.79Å; L514-L552 HydrophobicContact CB-CD2 4Å; L514-L552 HydrophobicContact CD1-CD2 4.06Å
515E94.7Very high91.6Very high22 Ų2244 Ų4410%0.10323%0.231CC..Hα-helixtrans-59-43.8176.9-179.3-159.5164.200111.2L511 L512 C513 Q519 R551 L552 A555L511-E515 PolarHBondContact O-N 3.42Å; L512-E515 WeakPolarHBondContact CD2-OE2 2.98Å; L512-E515 WeakPolarHBondContact O-CB 3.36Å; L512-E515 PolarHBondContact O-N 2.85Å; C513-E515 VanDerWaalsContact C-N 3.34Å; E515-Q519 WeakPolarHBondContact O-CG 3.42Å; E515-Q519 PolarHBondContact O-NE2 2.65Å; E515-R551 VanDerWaalsContact CD-NH2 3.28Å; E515-R551 HydrophobicContact CG-CB 4.49Å; E515-R551 IonicContact OE1-CZ 2.85Å; E515-R551 IonicContact OE1-NE 2.88Å; E515-R551 PolarHBondContact OE1-NE 2.73Å; E515-R551 VanDerWaalsContact OE1-NE 3.1Å; E515-R551 IonicContact OE1-NH2 2.65Å; E515-R551 PolarHBondContact OE1-NH2 3.24Å; E515-R551 WeakPolarHBondContact OE2-CB 3.44Å; E515-R551 IonicContact OE2-CZ 3.36Å; E515-R551 IonicContact OE2-NE 3.8Å; E515-R551 PolarHBondContact OE2-NE 2.58Å; E515-R551 IonicContact OE2-NH2 3.87Å; E515-R551 PolarHBondContact OE2-NH2 3.37Å; E515-L552 HydrophobicContact CB-CB 4.48Å; E515-L552 HydrophobicContact CB-CD1 4.37Å; E515-A555 HydrophobicContact CG-CB 4.01Å
516H94.6Very high91.8Very high40 Ų4042.7 Ų42.719%0.18522%0.218CC..Hα-helixtrans-61-47.9173.3172.482000111.7F463 D467 L512 C513 L514 V518 Q519 Q520F463-H516 HydrophobicContact CD1-CB 3.84Å; F463-H516 AromaticContact CD1-CD2 3.76Å; F463-H516 AromaticContact CD1-CG 3.62Å; F463-H516 HydrophobicContact CE1-CB 3.72Å; F463-H516 AromaticContact CE1-CG 3.98Å; F463-H516 HydrophobicContact CG-CB 4.49Å; F463-H516 AromaticContact CG-CD2 3.91Å; F463-H516 AromaticContact CG-CG 3.84Å; F463-H516 AromaticContact CG-ND1 3.94Å; F463-H516 HydrophobicContact CZ-CB 4.27Å; D467-H516 IonicContact OD1-CD2 3.94Å; D467-H516 IonicContact OD1-NE2 3.71Å; D467-H516 PolarHBondContact OD1-NE2 3.36Å; D467-H516 IonicContact OD2-CD2 3.69Å; D467-H516 IonicContact OD2-CE1 2.86Å; D467-H516 IonicContact OD2-NE2 2.75Å; D467-H516 PolarHBondContact OD2-NE2 3Å; L512-H516 PolarHBondContact O-N 3.24Å; C513-H516 PolarHBondContact O-N 2.92Å; L514-H516 VanDerWaalsContact C-N 3.32Å; L514-H516 PolarHBondContact O-N 2.89Å; H516-V518 VanDerWaalsContact C-N 3.35Å; H516-V518 PolarHBondContact O-N 3.45Å; H516-Q519 WeakPolarHBondContact O-CB 3.44Å; H516-Q519 PolarHBondContact O-N 3.34Å; H516-Q519 VanDerWaalsContact O-N 3.11Å; H516-Q520 PolarHBondContact CE1-NE2 2.74Å; H516-Q520 PolarHBondContact NE2-NE2 3.12Å; H516-Q520 PolarHBondContact O-NE2 2.88Å
517A95.2Very high92.2Very high0 Ų041.5 Ų41.50%021%0.211CC..Hα-helixtrans-61.2-40.5-178.200000112.8L470 C513 L514 Q519 Q520 Y522 F523L470-A517 HydrophobicContact CD1-CB 3.36Å; C513-A517 WeakPolarHBondContact O-CB 3.37Å; C513-A517 PolarHBondContact O-N 3.39Å; L514-A517 PolarHBondContact O-N 3.15Å; A517-Q519 PolarHBondContact O-N 3.01Å; A517-Q519 VanDerWaalsContact O-N 3.14Å; A517-Q520 WeakPolarHBondContact O-CB 3.42Å; A517-Q520 PolarHBondContact O-N 3Å; A517-Y522 WeakPolarHBondContact CA-OH 3.39Å; A517-Y522 HydrophobicContact CB-CE2 4.45Å; A517-Y522 WeakPolarHBondContact CB-OH 3.47Å; A517-F523 HydrophobicContact CB-CD2 4.18Å; A517-F523 VanDerWaalsContact O-CB 3.27Å; A517-F523 WeakPolarHBondContact O-CB 3.44Å
518V95.2Very high92.2Very high1 Ų138.9 Ų38.91%0.00620%0.195CC..Hα-helixtrans-58.3-28.6177.3169.80000112L514 H516 Q520 F523 L552 A555 L556 K559L514-V518 VanDerWaalsContact O-CG2 3.22Å; L514-V518 WeakPolarHBondContact O-CG2 3.4Å; L514-V518 PolarHBondContact O-N 3.19Å; H516-V518 VanDerWaalsContact C-N 3.35Å; H516-V518 PolarHBondContact O-N 3.45Å; V518-Q520 VanDerWaalsContact C-N 3.3Å; V518-Q520 PolarHBondContact O-N 2.85Å; V518-F523 HydrophobicContact CG2-CD1 4.19Å; V518-F523 HydrophobicContact CG2-CD2 4.4Å; V518-F523 HydrophobicContact CG2-CE1 3.89Å; V518-F523 HydrophobicContact CG2-CE2 4.12Å; V518-F523 HydrophobicContact CG2-CG 4.44Å; V518-F523 HydrophobicContact CG2-CZ 3.86Å; V518-L552 HydrophobicContact CG2-CD1 4.11Å; V518-A555 HydrophobicContact CG1-CB 4.14Å; V518-L556 HydrophobicContact CB-CD2 4.45Å; V518-L556 HydrophobicContact CG1-CD2 4.03Å; V518-L556 HydrophobicContact CG1-CG 4.45Å; V518-L556 HydrophobicContact CG2-CD2 3.48Å; V518-L556 VanDerWaalsContact CG2-CD2 3.48Å; V518-L556 HydrophobicContact CG2-CG 4.11Å; V518-K559 HydrophobicContact CG1-CB 3.84Å; V518-K559 HydrophobicContact CG1-CG 4.19Å; V518-K559 WeakPolarHBondContact O-CD 3.47Å; V518-K559 WeakPolarHBondContact O-CE 3.47Å; V518-K559 PolarHBondContact O-NZ 3.21Å
519Q92.9Very high92.1Very high124 Ų12437.8 Ų37.858%0.57919%0.189SC*.Hα-helixtrans-77.2-16.1178.5-61.8175.235.400112.9E515 H516 A517E515-Q519 WeakPolarHBondContact O-CG 3.42Å; E515-Q519 PolarHBondContact O-NE2 2.65Å; H516-Q519 WeakPolarHBondContact O-CB 3.44Å; H516-Q519 PolarHBondContact O-N 3.34Å; H516-Q519 VanDerWaalsContact O-N 3.11Å; A517-Q519 PolarHBondContact O-N 3.01Å; A517-Q519 VanDerWaalsContact O-N 3.14Å
520Q94.7Very high91.8Very high57 Ų5739.5 Ų39.527%0.26620%0.198SC..SBendtrans-80.4158.7-177.4-52-51.1-43.300113.1D467 H516 A517 V518 Y522 F523 K559D467-Q520 WeakPolarHBondContact OD1-CG 3.32Å; H516-Q520 PolarHBondContact CE1-NE2 2.74Å; H516-Q520 PolarHBondContact NE2-NE2 3.12Å; H516-Q520 PolarHBondContact O-NE2 2.88Å; A517-Q520 WeakPolarHBondContact O-CB 3.42Å; A517-Q520 PolarHBondContact O-N 3Å; V518-Q520 VanDerWaalsContact C-N 3.3Å; V518-Q520 PolarHBondContact O-N 2.85Å; Q520-Y522 HydrophobicContact CB-CD1 3.66Å; Q520-Y522 HydrophobicContact CB-CE1 3.29Å; Q520-Y522 HydrophobicContact CB-CE2 4.4Å; Q520-Y522 HydrophobicContact CB-CG 4.37Å; Q520-Y522 HydrophobicContact CG-CD1 4.44Å; Q520-Y522 HydrophobicContact CG-CE1 3.62Å; Q520-Y522 PolarHBondContact O-N 2.97Å; Q520-F523 PolarHBondContact O-N 3.48Å; Q520-K559 PolarHBondContact O-NZ 3.32Å
521E91.1Very high91.6Very high193 Ų19339.4 Ų39.490%0.90220%0.198SC*.THydrogen-bonded Turntrans-67.9-32.9-177.6-67.3-172.8164.500113.6F523E521-F523 PolarHBondContact O-N 3.33Å
522Y92.1Very high91.5Very high28 Ų2841.9 Ų41.911%0.1121%0.21CC..THydrogen-bonded Turntrans-68.5-15.817964.7-105000112.9D467 L470 K471 L474 A517 Q520 T524D467-Y522 HydrophobicContact CB-CE1 4.07Å; D467-Y522 WeakPolarHBondContact OD1-CE1 3.43Å; D467-Y522 PolarHBondContact OD1-OH 2.96Å; L470-Y522 HydrophobicContact CB-CD2 4.42Å; L470-Y522 HydrophobicContact CB-CE2 3.58Å; L470-Y522 HydrophobicContact CD1-CE2 4.45Å; K471-Y522 HydrophobicContact CB-CD1 3.95Å; K471-Y522 HydrophobicContact CB-CE1 4.43Å; K471-Y522 HydrophobicContact CB-CG 4.05Å; K471-Y522 HydrophobicContact CG-CD1 4.33Å; K471-Y522 HydrophobicContact CG-CG 4.35Å; L474-Y522 HydrophobicContact CB-CD2 4.44Å; L474-Y522 HydrophobicContact CD1-CD2 4.07Å; L474-Y522 HydrophobicContact CD1-CE2 4.06Å; A517-Y522 WeakPolarHBondContact CA-OH 3.39Å; A517-Y522 HydrophobicContact CB-CE2 4.45Å; A517-Y522 WeakPolarHBondContact CB-OH 3.47Å; Q520-Y522 HydrophobicContact CB-CD1 3.66Å; Q520-Y522 HydrophobicContact CB-CE1 3.29Å; Q520-Y522 HydrophobicContact CB-CE2 4.4Å; Q520-Y522 HydrophobicContact CB-CG 4.37Å; Q520-Y522 HydrophobicContact CG-CD1 4.44Å; Q520-Y522 HydrophobicContact CG-CE1 3.62Å; Q520-Y522 PolarHBondContact O-N 2.97Å; Y522-T524 PolarHBondContact O-N 3.25Å
523F94Very high91Very high1 Ų143.8 Ų43.80%0.00422%0.222CC..SBendtrans-90.898.6177.8-149.7-70.2000109.1L474 A517 V518 Q520 E521 H527 A528 L531 L556 K559L474-F523 HydrophobicContact CD1-CD2 3.43Å; L474-F523 VanDerWaalsContact CD1-CD2 3.43Å; L474-F523 HydrophobicContact CD1-CE2 3.61Å; L474-F523 HydrophobicContact CD1-CG 4.23Å; A517-F523 HydrophobicContact CB-CD2 4.18Å; A517-F523 VanDerWaalsContact O-CB 3.27Å; A517-F523 WeakPolarHBondContact O-CB 3.44Å; V518-F523 HydrophobicContact CG2-CD1 4.19Å; V518-F523 HydrophobicContact CG2-CD2 4.4Å; V518-F523 HydrophobicContact CG2-CE1 3.89Å; V518-F523 HydrophobicContact CG2-CE2 4.12Å; V518-F523 HydrophobicContact CG2-CG 4.44Å; V518-F523 HydrophobicContact CG2-CZ 3.86Å; Q520-F523 PolarHBondContact O-N 3.48Å; E521-F523 PolarHBondContact O-N 3.33Å; F523-H527 HydrophobicContact CD1-CB 3.85Å; F523-H527 HydrophobicContact CE1-CB 3.54Å; F523-H527 HydrophobicContact CZ-CB 4.13Å; F523-A528 HydrophobicContact CD1-CB 4.4Å; F523-A528 HydrophobicContact CE1-CB 4.2Å; F523-L531 HydrophobicContact CZ-CD2 4.01Å; F523-L556 HydrophobicContact CE1-CD2 4.44Å; F523-K559 WeakPolarHBondContact O-CE 3.32Å; F523-K559 PolarHBondContact O-NZ 3.08Å
524T91.3Very high90.4Very high60 Ų6045.8 Ų45.837%0.36823%0.233SC..  trans-70.3164.4-175.569.70000112.7Y522 D526 H527 A528Y522-T524 PolarHBondContact O-N 3.25Å; T524-D526 VanDerWaalsContact C-N 3.25Å; T524-D526 PolarHBondContact O-N 2.65Å; T524-H527 PolarHBondContact O-N 3.05Å; T524-H527 PolarHBondContact OG1-CE1 3.2Å; T524-H527 VanDerWaalsContact OG1-CG 3.23Å; T524-H527 PolarHBondContact OG1-N 3Å; T524-H527 PolarHBondContact OG1-ND1 3.33Å; T524-A528 PolarHBondContact O-N 3.34Å; T524-A528 VanDerWaalsContact O-N 3.14Å
525Q88.2Confident89.9Confident90 Ų9046 Ų4642%0.42123%0.234SC..Hα-helixtrans-62-35.3174.3-172.2-180-5.700111.9A528 S529 S560Q525-A528 PolarHBondContact O-N 3.25Å; Q525-S529 WeakPolarHBondContact O-CB 3.26Å; Q525-S529 PolarHBondContact O-N 2.94Å; Q525-S529 PolarHBondContact O-OG 2.79Å; Q525-S560 PolarHBondContact NE2-O 2.98Å
526D86.3Confident89.1Confident84 Ų8448.9 Ų48.945%0.44926%0.257SS..Hα-helixtrans-63.9-50.5177179.766.3000111.5H482 T524 A528 S529 V530H482-D526 IonicContact CE1-OD2 2.97Å; H482-D526 PolarHBondContact CE1-OD2 2.84Å; H482-D526 IonicContact NE2-OD2 3.46Å; T524-D526 VanDerWaalsContact C-N 3.25Å; T524-D526 PolarHBondContact O-N 2.65Å; D526-A528 VanDerWaalsContact C-N 3.25Å; D526-A528 PolarHBondContact O-N 3.49Å; D526-S529 PolarHBondContact O-N 3.04Å; D526-S529 VanDerWaalsContact O-N 3.08Å; D526-V530 WeakPolarHBondContact O-CG2 2.91Å; D526-V530 PolarHBondContact O-N 3.42Å
527H91.8Very high87.9Confident10 Ų1056.3 Ų56.35%0.04628%0.283CS..Hα-helixtrans-56.2-40.6174-61146.7000112.2L474 S481 L485 F523 T524 L531L474-H527 PolarHBondContact O-CE1 3.14Å; L474-H527 VanDerWaalsContact O-CE1 3.25Å; S481-H527 WeakPolarHBondContact CB-NE2 3.33Å; S481-H527 PolarHBondContact OG-NE2 3.34Å; L485-H527 HydrophobicContact CD1-CB 4.05Å; F523-H527 HydrophobicContact CD1-CB 3.85Å; F523-H527 HydrophobicContact CE1-CB 3.54Å; F523-H527 HydrophobicContact CZ-CB 4.13Å; T524-H527 PolarHBondContact O-N 3.05Å; T524-H527 PolarHBondContact OG1-CE1 3.2Å; T524-H527 VanDerWaalsContact OG1-CG 3.23Å; T524-H527 PolarHBondContact OG1-N 3Å; T524-H527 PolarHBondContact OG1-ND1 3.33Å; H527-L531 VanDerWaalsContact O-CB 3.3Å; H527-L531 WeakPolarHBondContact O-CB 3.48Å; H527-L531 PolarHBondContact O-N 3.1Å
528A90.3Very high86.4Confident0 Ų059.9 Ų59.90%030%0.302CS..Hα-helixtrans-67-39.2178.500000112.2F523 T524 Q525 D526 H532 L556 K559F523-A528 HydrophobicContact CD1-CB 4.4Å; F523-A528 HydrophobicContact CE1-CB 4.2Å; T524-A528 PolarHBondContact O-N 3.34Å; T524-A528 VanDerWaalsContact O-N 3.14Å; Q525-A528 PolarHBondContact O-N 3.25Å; D526-A528 VanDerWaalsContact C-N 3.25Å; D526-A528 PolarHBondContact O-N 3.49Å; A528-H532 WeakPolarHBondContact O-CB 3.12Å; A528-H532 PolarHBondContact O-N 3.25Å; A528-L556 HydrophobicContact CB-CD2 4.01Å; A528-K559 HydrophobicContact CB-CB 3.94Å; A528-K559 HydrophobicContact CB-CG 3.9Å
529S86.2Confident84.8Confident42 Ų4261 Ų6129%0.29431%0.313SS..Hα-helixtrans-68.8-43.7-179.4-570000111.6Q525 D526 T533Q525-S529 WeakPolarHBondContact O-CB 3.26Å; Q525-S529 PolarHBondContact O-N 2.94Å; Q525-S529 PolarHBondContact O-OG 2.79Å; D526-S529 PolarHBondContact O-N 3.04Å; D526-S529 VanDerWaalsContact O-N 3.08Å; S529-T533 WeakPolarHBondContact O-CB 3.3Å; S529-T533 PolarHBondContact O-N 3.33Å; S529-T533 PolarHBondContact O-OG1 3.46Å
530V85Confident83.5Confident41 Ų4160.5 Ų60.525%0.24832%0.315CS..Hα-helixtrans-60.6-50.7174.3173.20000110.3D526 H532 T533 L534D526-V530 WeakPolarHBondContact O-CG2 2.91Å; D526-V530 PolarHBondContact O-N 3.42Å; V530-H532 PolarHBondContact O-N 2.91Å; V530-T533 PolarHBondContact O-N 3.4Å; V530-L534 HydrophobicContact CG1-CD1 3.73Å; V530-L534 VanDerWaalsContact O-CG 3.28Å; V530-L534 WeakPolarHBondContact O-CG 3.44Å; V530-L534 PolarHBondContact O-N 3.44Å; V530-L534 VanDerWaalsContact O-N 3.12Å
531L88.5Confident82.3Confident2 Ų259.7 Ų59.71%0.0132%0.318CS..Hα-helixtrans-66-38.8-176.9-169.659.8000112.3L489 F523 H527 L534 L535 L556L489-L531 HydrophobicContact CD1-CD1 3.96Å; L489-L531 HydrophobicContact CD2-CD1 3.73Å; L489-L531 HydrophobicContact CG-CD1 4.01Å; F523-L531 HydrophobicContact CZ-CD2 4.01Å; H527-L531 VanDerWaalsContact O-CB 3.3Å; H527-L531 WeakPolarHBondContact O-CB 3.48Å; H527-L531 PolarHBondContact O-N 3.1Å; L531-L534 PolarHBondContact O-N 3.06Å; L531-L535 HydrophobicContact CD1-CD1 4.03Å; L531-L535 HydrophobicContact CD1-CG 4.25Å; L531-L535 HydrophobicContact CD2-CD1 4.47Å; L531-L535 HydrophobicContact CG-CD1 3.76Å; L531-L535 HydrophobicContact CG-CG 4.41Å; L531-L535 WeakPolarHBondContact O-CB 3.35Å; L531-L535 VanDerWaalsContact O-CG 3.26Å; L531-L535 WeakPolarHBondContact O-CG 3.41Å; L531-L535 PolarHBondContact O-N 2.79Å; L531-L556 HydrophobicContact CB-CD1 4.4Å; L531-L556 HydrophobicContact CB-CD2 4.14Å; L531-L556 HydrophobicContact CD2-CD1 4.21Å; L531-L556 HydrophobicContact CD2-CD2 4.05Å; L531-L556 HydrophobicContact CG-CD1 4.03Å; L531-L556 HydrophobicContact CG-CD2 4.31Å
532H88.7Confident81.6Confident53 Ų5350.6 Ų50.625%0.24528%0.275CS..Hα-helixtrans-62.2-45.9175.6-175.2-100.2000112.4A528 V530 L534 L535 S536 L556A528-H532 WeakPolarHBondContact O-CB 3.12Å; A528-H532 PolarHBondContact O-N 3.25Å; V530-H532 PolarHBondContact O-N 2.91Å; H532-L534 VanDerWaalsContact C-N 3.31Å; H532-L534 PolarHBondContact O-N 3.15Å; H532-L535 PolarHBondContact O-N 2.99Å; H532-S536 WeakPolarHBondContact O-CB 3.19Å; H532-S536 PolarHBondContact O-N 3.32Å; H532-S536 PolarHBondContact O-OG 2.86Å; H532-L556 HydrophobicContact CB-CB 4.07Å
533T83.8Confident80.8Confident65 Ų6554.6 Ų54.640%0.39929%0.293SS..Hα-helixtrans-62.5-39.7-179.9-56.40000111.5S529 V530 S536S529-T533 WeakPolarHBondContact O-CB 3.3Å; S529-T533 PolarHBondContact O-N 3.33Å; S529-T533 PolarHBondContact O-OG1 3.46Å; V530-T533 PolarHBondContact O-N 3.4Å; T533-S536 PolarHBondContact O-OG 3.14Å; T533-S536 VanDerWaalsContact O-OG 3.05Å
534L81.6Confident80.1Confident43 Ų4364 Ų6423%0.22534%0.335CS..Hα-helixtrans-77.1-36.6-178.5-63.1169.9000112.5L489 L495 V530 L531 H532L489-L534 HydrophobicContact CD1-CB 3.74Å; L489-L534 HydrophobicContact CD1-CD1 3.38Å; L489-L534 HydrophobicContact CD1-CG 4.18Å; L495-L534 HydrophobicContact CD1-CD1 4.4Å; L495-L534 HydrophobicContact CD2-CD2 4.31Å; V530-L534 HydrophobicContact CG1-CD1 3.73Å; V530-L534 VanDerWaalsContact O-CG 3.28Å; V530-L534 WeakPolarHBondContact O-CG 3.44Å; V530-L534 PolarHBondContact O-N 3.44Å; V530-L534 VanDerWaalsContact O-N 3.12Å; L531-L534 PolarHBondContact O-N 3.06Å; H532-L534 VanDerWaalsContact C-N 3.31Å; H532-L534 PolarHBondContact O-N 3.15Å
535L81.7Confident79.7Confident11 Ų1161.5 Ų61.56%0.05832%0.319CS..Hα-helixtrans-72.2-35.4178.2-74169.5000113.3L489 V494 L531 H532 R537 N538 L542 L552 L556L489-L535 HydrophobicContact CD2-CD2 3.97Å; L489-L535 HydrophobicContact CD2-CG 4.27Å; V494-L535 HydrophobicContact CG1-CD2 4.2Å; V494-L535 HydrophobicContact CG2-CD2 3.98Å; L531-L535 HydrophobicContact CD1-CD1 4.03Å; L531-L535 HydrophobicContact CD1-CG 4.25Å; L531-L535 HydrophobicContact CD2-CD1 4.47Å; L531-L535 HydrophobicContact CG-CD1 3.76Å; L531-L535 HydrophobicContact CG-CG 4.41Å; L531-L535 WeakPolarHBondContact O-CB 3.35Å; L531-L535 VanDerWaalsContact O-CG 3.26Å; L531-L535 WeakPolarHBondContact O-CG 3.41Å; L531-L535 PolarHBondContact O-N 2.79Å; H532-L535 PolarHBondContact O-N 2.99Å; L535-R537 VanDerWaalsContact C-N 3.26Å; L535-R537 PolarHBondContact O-N 3.31Å; L535-N538 PolarHBondContact O-N 3.43Å; L535-L542 HydrophobicContact CD2-CD1 3.63Å; L535-L552 HydrophobicContact CD1-CD2 3.88Å; L535-L552 HydrophobicContact CD1-CG 4.33Å; L535-L556 HydrophobicContact CD1-CD1 3.58Å
536S78.4Confident79.5Confident82 Ų8260 Ų6057%0.57332%0.319SS*.Hα-helixtrans-67.3-24.4-178.351.70000113.7H532 T533H532-S536 WeakPolarHBondContact O-CB 3.19Å; H532-S536 PolarHBondContact O-N 3.32Å; H532-S536 PolarHBondContact O-OG 2.86Å; T533-S536 PolarHBondContact O-OG 3.14Å; T533-S536 VanDerWaalsContact O-OG 3.05Å
537R68.6Low79.5Confident196 Ų19660.1 Ų60.174%0.7433%0.326SS*.Hα-helixtrans-84.4-18.8-178.6-70179.3169.2-173.3-3.8114.5L535L535-R537 VanDerWaalsContact C-N 3.26Å; L535-R537 PolarHBondContact O-N 3.31Å
538N65Low79.3Confident75 Ų7559.9 Ų59.940%0.40133%0.326SS..  trans-131.654.9-172.8-82.9-31.7000113V494 L535 D540 A541V494-N538 HydrophobicContact CG1-CB 4.04Å; V494-N538 PolarHBondContact O-ND2 3.5Å; L535-N538 PolarHBondContact O-N 3.43Å; N538-D540 PolarHBondContact O-N 3.33Å; N538-D540 VanDerWaalsContact O-N 3.1Å; N538-A541 PolarHBondContact O-N 3.01Å
539G60.3Low79.2Confident23 Ų2363 Ų6324%0.23734%0.338CS..THydrogen-bonded Turntrans-62.2-17.1-179.300000115.1L542G539-L542 PolarHBondContact O-N 3.16Å
540D67Low79.3Confident115 Ų11564.9 Ų64.962%0.61534%0.344SS*.THydrogen-bonded Turntrans-75.8-32.1-174.8-86.815.7000114.1N538 L542 K543N538-D540 PolarHBondContact O-N 3.33Å; N538-D540 VanDerWaalsContact O-N 3.1Å; D540-L542 PolarHBondContact O-N 3.12Å; D540-K543 WeakPolarHBondContact O-CG 3.25Å; D540-K543 PolarHBondContact O-N 3.28Å; D540-K543 WeakPolarHBondContact OD1-CE 3.32Å; D540-K543 IonicContact OD1-NZ 3.67Å; D540-K543 PolarHBondContact OD1-NZ 3.39Å; D540-K543 VanDerWaalsContact OD1-NZ 3.08Å; D540-K543 WeakPolarHBondContact OD2-CE 3.49Å; D540-K543 IonicContact OD2-NZ 3.29Å; D540-K543 PolarHBondContact OD2-NZ 3.12Å
541A67.8Low79.6Confident40 Ų4068.9 Ų68.933%0.33136%0.355SS..THydrogen-bonded Turntrans-65.9-22.5176.600000112.7G493 V494 N538G493-A541 WeakPolarHBondContact O-CB 3.48Å; V494-A541 HydrophobicContact CG2-CB 4.28Å; N538-A541 PolarHBondContact O-N 3.01Å
542L76.6Confident79.8Confident1 Ų168.9 Ų68.91%0.00536%0.355CS..THydrogen-bonded Turntrans-1079.8-173-54.7178.8000113.1I492 V494 L506 L535 G539 D540 F544 C545 S546 R549I492-L542 HydrophobicContact CD1-CD2 4.49Å; V494-L542 HydrophobicContact CG2-CD1 4.08Å; V494-L542 HydrophobicContact CG2-CD2 3.78Å; V494-L542 HydrophobicContact CG2-CG 3.98Å; L506-L542 HydrophobicContact CD2-CD2 3.3Å; L535-L542 HydrophobicContact CD2-CD1 3.63Å; G539-L542 PolarHBondContact O-N 3.16Å; D540-L542 PolarHBondContact O-N 3.12Å; L542-F544 PolarHBondContact O-N 3.1Å; L542-F544 VanDerWaalsContact O-N 3.15Å; L542-C545 CarbonylContact O-C 3.46Å; L542-C545 PolarHBondContact O-N 3.2Å; L542-S546 PolarHBondContact O-N 3.18Å; L542-R549 HydrophobicContact CB-CB 4.36Å; L542-R549 HydrophobicContact CB-CG 4.15Å; L542-R549 HydrophobicContact CD1-CB 4.49Å; L542-R549 HydrophobicContact CD1-CG 3.82Å
543K76.8Confident79.8Confident113 Ų11368 Ų6849%0.49136%0.355SS..G310 helixtrans-52.7-38.9-176-77.3179.5-168.3176.50113.3D540 C545D540-K543 WeakPolarHBondContact O-CG 3.25Å; D540-K543 PolarHBondContact O-N 3.28Å; D540-K543 WeakPolarHBondContact OD1-CE 3.32Å; D540-K543 IonicContact OD1-NZ 3.67Å; D540-K543 PolarHBondContact OD1-NZ 3.39Å; D540-K543 VanDerWaalsContact OD1-NZ 3.08Å; D540-K543 WeakPolarHBondContact OD2-CE 3.49Å; D540-K543 IonicContact OD2-NZ 3.29Å; D540-K543 PolarHBondContact OD2-NZ 3.12Å; K543-C545 PolarHBondContact O-N 2.9Å
544F77.4Confident80.1Confident199 Ų19967 Ų6787%0.87335%0.351SS*.G310 helixtrans-74.5-8.5-178.7-61.7-75.1000114.1L542L542-F544 PolarHBondContact O-N 3.1Å; L542-F544 VanDerWaalsContact O-N 3.15Å
545C84.4Confident80.6Confident6 Ų665.6 Ų65.64%0.04135%0.345CS..G310 helixtrans-126.331.9178.7-64.20000112L506 V507 P508 L511 L542 K543 S547 A548 R549L506-C545 HydrophobicContact CD2-CB 4.19Å; V507-C545 VanDerWaalsContact C-SG 3.56Å; P508-C545 VanDerWaalsContact CD-SG 3.58Å; P508-C545 HydrophobicContact CG-CB 4.47Å; P508-C545 VanDerWaalsContact N-SG 3.42Å; L511-C545 HydrophobicContact CD1-CB 3.7Å; L542-C545 CarbonylContact O-C 3.46Å; L542-C545 PolarHBondContact O-N 3.2Å; K543-C545 PolarHBondContact O-N 2.9Å; C545-S547 PolarHBondContact O-N 3.25Å; C545-A548 PolarHBondContact O-N 3.45Å; C545-R549 PolarHBondContact O-N 3.26Å
546S82.7Confident81.1Confident59 Ų5965 Ų6541%0.41334%0.342SS..Hα-helixtrans-50.2-47.1-171.456.50000114.5L542 A548 R549 D550L542-S546 PolarHBondContact O-N 3.18Å; S546-A548 PolarHBondContact O-N 3.25Å; S546-R549 WeakPolarHBondContact O-CB 3.44Å; S546-R549 PolarHBondContact O-N 3.39Å; S546-D550 PolarHBondContact O-N 3.22Å
547S86.5Confident81.5Confident87 Ų8766.1 Ų66.161%0.60834%0.338SS*.Hα-helixtrans-61.8-42.6178.5177.10000113.1C545 R551C545-S547 PolarHBondContact O-N 3.25Å; S547-R551 WeakPolarHBondContact O-CG 3.48Å; S547-R551 PolarHBondContact O-N 3.42Å
548A87.6Confident82.5Confident5 Ų563.7 Ų63.74%0.04133%0.333CS..Hα-helixtrans-73.4-34.6178.200000111.9P508 L511 L512 C545 S546 R551 L552P508-A548 HydrophobicContact CB-CB 4.1Å; L511-A548 HydrophobicContact CB-CB 3.85Å; L511-A548 HydrophobicContact CD1-CB 4.24Å; L512-A548 HydrophobicContact CD2-CB 3.99Å; L512-A548 HydrophobicContact CG-CB 4.04Å; C545-A548 PolarHBondContact O-N 3.45Å; S546-A548 PolarHBondContact O-N 3.25Å; A548-R551 PolarHBondContact O-N 2.85Å; A548-L552 WeakPolarHBondContact O-CB 3.38Å; A548-L552 PolarHBondContact O-N 3.25Å
549R88.6Confident83.6Confident65 Ų6562.2 Ų62.225%0.24532%0.323CS..Hα-helixtrans-60-46.5172.6177.2-158.170-176.81.4111.6L511 L542 C545 S546 R551 L552 S553L511-R549 HydrophobicContact CD1-CB 4.1Å; L542-R549 HydrophobicContact CB-CB 4.36Å; L542-R549 HydrophobicContact CB-CG 4.15Å; L542-R549 HydrophobicContact CD1-CB 4.49Å; L542-R549 HydrophobicContact CD1-CG 3.82Å; C545-R549 PolarHBondContact O-N 3.26Å; S546-R549 WeakPolarHBondContact O-CB 3.44Å; S546-R549 PolarHBondContact O-N 3.39Å; R549-R551 VanDerWaalsContact C-N 3.32Å; R549-R551 PolarHBondContact O-N 3.15Å; R549-L552 PolarHBondContact O-N 3.03Å; R549-S553 WeakPolarHBondContact O-CB 3.33Å; R549-S553 PolarHBondContact O-N 3.11Å; R549-S553 PolarHBondContact O-OG 2.74Å
550D88.4Confident84.5Confident81 Ų8161.9 Ų61.943%0.43332%0.317SS..Hα-helixtrans-66.7-38.3-176.7-64.1-14.3000110.9S546 S553 S554S546-D550 PolarHBondContact O-N 3.22Å; D550-S553 PolarHBondContact O-N 3.25Å; D550-S554 PolarHBondContact O-N 3.48Å
551R92.2Very high84.9Confident125 Ų12562 Ų6247%0.47231%0.314SS..Hα-helixtrans-62.5-47.9172.6-71.1177.260.4179.8-3.6112.5E515 S547 A548 R549 S553 S554 A555E515-R551 VanDerWaalsContact CD-NH2 3.28Å; E515-R551 HydrophobicContact CG-CB 4.49Å; E515-R551 IonicContact OE1-CZ 2.85Å; E515-R551 IonicContact OE1-NE 2.88Å; E515-R551 PolarHBondContact OE1-NE 2.73Å; E515-R551 VanDerWaalsContact OE1-NE 3.1Å; E515-R551 IonicContact OE1-NH2 2.65Å; E515-R551 PolarHBondContact OE1-NH2 3.24Å; E515-R551 WeakPolarHBondContact OE2-CB 3.44Å; E515-R551 IonicContact OE2-CZ 3.36Å; E515-R551 IonicContact OE2-NE 3.8Å; E515-R551 PolarHBondContact OE2-NE 2.58Å; E515-R551 IonicContact OE2-NH2 3.87Å; E515-R551 PolarHBondContact OE2-NH2 3.37Å; S547-R551 WeakPolarHBondContact O-CG 3.48Å; S547-R551 PolarHBondContact O-N 3.42Å; A548-R551 PolarHBondContact O-N 2.85Å; R549-R551 VanDerWaalsContact C-N 3.32Å; R549-R551 PolarHBondContact O-N 3.15Å; R551-S553 VanDerWaalsContact C-N 3.34Å; R551-S553 PolarHBondContact O-N 3.37Å; R551-S554 PolarHBondContact O-N 3.15Å; R551-A555 PolarHBondContact O-N 3.03Å
552L91.9Very high84.3Confident2 Ų267.7 Ų67.71%0.0133%0.331CS..Hα-helixtrans-60.1-44.4176.1174.859.3000111.4L511 L514 E515 V518 L535 A548 R549 S554 A555 L556L511-L552 HydrophobicContact CB-CD2 4.46Å; L511-L552 HydrophobicContact CD2-CD2 4.1Å; L514-L552 HydrophobicContact CB-CD1 3.79Å; L514-L552 HydrophobicContact CB-CD2 4Å; L514-L552 HydrophobicContact CD1-CD2 4.06Å; E515-L552 HydrophobicContact CB-CB 4.48Å; E515-L552 HydrophobicContact CB-CD1 4.37Å; V518-L552 HydrophobicContact CG2-CD1 4.11Å; L535-L552 HydrophobicContact CD1-CD2 3.88Å; L535-L552 HydrophobicContact CD1-CG 4.33Å; A548-L552 WeakPolarHBondContact O-CB 3.38Å; A548-L552 PolarHBondContact O-N 3.25Å; R549-L552 PolarHBondContact O-N 3.03Å; L552-S554 PolarHBondContact O-N 3.43Å; L552-A555 WeakPolarHBondContact O-CB 3.43Å; L552-A555 PolarHBondContact O-N 3.47Å; L552-A555 VanDerWaalsContact O-N 3.14Å; L552-L556 HydrophobicContact CD1-CD1 3.9Å; L552-L556 HydrophobicContact CD1-CG 4.01Å; L552-L556 HydrophobicContact CG-CD1 3.85Å; L552-L556 HydrophobicContact CG-CG 4.41Å; L552-L556 WeakPolarHBondContact O-CG 3.35Å; L552-L556 PolarHBondContact O-N 3.44Å
553S89Confident82.7Confident34 Ų3477 Ų7724%0.23837%0.367CS..Hα-helixtrans-61-46.8179.4-55.60000111.2R549 D550 R551 A555 L556 E557R549-S553 WeakPolarHBondContact O-CB 3.33Å; R549-S553 PolarHBondContact O-N 3.11Å; R549-S553 PolarHBondContact O-OG 2.74Å; D550-S553 PolarHBondContact O-N 3.25Å; R551-S553 VanDerWaalsContact C-N 3.34Å; R551-S553 PolarHBondContact O-N 3.37Å; S553-A555 VanDerWaalsContact C-N 3.32Å; S553-A555 PolarHBondContact O-N 2.91Å; S553-L556 PolarHBondContact O-N 3.32Å; S553-E557 WeakPolarHBondContact O-CB 3.26Å; S553-E557 PolarHBondContact O-N 3.16Å
554S90.6Very high80.9Confident45 Ų4583.5 Ų83.532%0.31540%0.399SS..Hα-helixtrans-61-37.7173.9157.20000112.4D550 R551 L552 K558D550-S554 PolarHBondContact O-N 3.48Å; R551-S554 PolarHBondContact O-N 3.15Å; L552-S554 PolarHBondContact O-N 3.43Å; S554-K558 WeakPolarHBondContact O-CB 3.44Å; S554-K558 VanDerWaalsContact O-CG 3.25Å; S554-K558 WeakPolarHBondContact O-CG 3.35Å; S554-K558 PolarHBondContact O-N 3.3Å; S554-K558 VanDerWaalsContact O-N 3.1Å
555A91.3Very high81Confident13 Ų1377.7 Ų77.711%0.10738%0.375CS..Hα-helixtrans-67.2-41.6177.400000111.9E515 V518 R551 L552 S553 K558 K559E515-A555 HydrophobicContact CG-CB 4.01Å; V518-A555 HydrophobicContact CG1-CB 4.14Å; R551-A555 PolarHBondContact O-N 3.03Å; L552-A555 WeakPolarHBondContact O-CB 3.43Å; L552-A555 PolarHBondContact O-N 3.47Å; L552-A555 VanDerWaalsContact O-N 3.14Å; S553-A555 VanDerWaalsContact C-N 3.32Å; S553-A555 PolarHBondContact O-N 2.91Å; A555-K558 PolarHBondContact O-N 3.22Å; A555-K559 WeakPolarHBondContact O-CB 3.39Å; A555-K559 PolarHBondContact O-N 3.43Å
556L91.4Very high80.9Confident0 Ų081.5 Ų81.50%039%0.393CS..Hα-helixtrans-66.8-42.2177.3-72.5168.4000112.4V518 F523 A528 L531 H532 L535 L552 S553 K559 S560V518-L556 HydrophobicContact CB-CD2 4.45Å; V518-L556 HydrophobicContact CG1-CD2 4.03Å; V518-L556 HydrophobicContact CG1-CG 4.45Å; V518-L556 HydrophobicContact CG2-CD2 3.48Å; V518-L556 VanDerWaalsContact CG2-CD2 3.48Å; V518-L556 HydrophobicContact CG2-CG 4.11Å; F523-L556 HydrophobicContact CE1-CD2 4.44Å; A528-L556 HydrophobicContact CB-CD2 4.01Å; L531-L556 HydrophobicContact CB-CD1 4.4Å; L531-L556 HydrophobicContact CB-CD2 4.14Å; L531-L556 HydrophobicContact CD2-CD1 4.21Å; L531-L556 HydrophobicContact CD2-CD2 4.05Å; L531-L556 HydrophobicContact CG-CD1 4.03Å; L531-L556 HydrophobicContact CG-CD2 4.31Å; H532-L556 HydrophobicContact CB-CB 4.07Å; L535-L556 HydrophobicContact CD1-CD1 3.58Å; L552-L556 HydrophobicContact CD1-CD1 3.9Å; L552-L556 HydrophobicContact CD1-CG 4.01Å; L552-L556 HydrophobicContact CG-CD1 3.85Å; L552-L556 HydrophobicContact CG-CG 4.41Å; L552-L556 WeakPolarHBondContact O-CG 3.35Å; L552-L556 PolarHBondContact O-N 3.44Å; S553-L556 PolarHBondContact O-N 3.32Å; L556-K559 PolarHBondContact O-N 3.35Å; L556-S560 WeakPolarHBondContact O-CB 3.36Å; L556-S560 PolarHBondContact O-N 3.46Å; L556-S560 PolarHBondContact O-OG 3.29Å
557E88.4Confident80.8Confident104 Ų10482.7 Ų82.749%0.48639%0.392SS..Hα-helixtrans-60.8-47.4174.8-170.1-179.7-170.400110.8S553 K559 S560 H561S553-E557 WeakPolarHBondContact O-CB 3.26Å; S553-E557 PolarHBondContact O-N 3.16Å; E557-K559 VanDerWaalsContact C-N 3.3Å; E557-K559 PolarHBondContact O-N 3.38Å; E557-S560 WeakPolarHBondContact CA-OG 3.46Å; E557-S560 PolarHBondContact O-N 3.16Å; E557-S560 PolarHBondContact O-OG 3.49Å; E557-H561 PolarHBondContact O-N 2.97Å; E557-H561 VanDerWaalsContact O-N 3.17Å; E557-H561 PolarHBondContact O-ND1 3.49Å
558K89.1Confident80.4Confident146 Ų14682.5 Ų82.564%0.63538%0.379SS*.Hα-helixtrans-61.9-35.2176.6-73.7173.3-173.8175.80113.3S554 A555 K562S554-K558 WeakPolarHBondContact O-CB 3.44Å; S554-K558 VanDerWaalsContact O-CG 3.25Å; S554-K558 WeakPolarHBondContact O-CG 3.35Å; S554-K558 PolarHBondContact O-N 3.3Å; S554-K558 VanDerWaalsContact O-N 3.1Å; A555-K558 PolarHBondContact O-N 3.22Å; K558-K562 WeakPolarHBondContact O-CB 3.38Å
559K88.6Confident80Confident44 Ų4487.3 Ų87.319%0.19140%0.4CS..Hα-helixtrans-77.2-36.7-179.7-166.672.5173.2-128.40112V518 Q520 F523 A528 A555 L556 E557 H561V518-K559 HydrophobicContact CG1-CB 3.84Å; V518-K559 HydrophobicContact CG1-CG 4.19Å; V518-K559 WeakPolarHBondContact O-CD 3.47Å; V518-K559 WeakPolarHBondContact O-CE 3.47Å; V518-K559 PolarHBondContact O-NZ 3.21Å; Q520-K559 PolarHBondContact O-NZ 3.32Å; F523-K559 WeakPolarHBondContact O-CE 3.32Å; F523-K559 PolarHBondContact O-NZ 3.08Å; A528-K559 HydrophobicContact CB-CB 3.94Å; A528-K559 HydrophobicContact CB-CG 3.9Å; A555-K559 WeakPolarHBondContact O-CB 3.39Å; A555-K559 PolarHBondContact O-N 3.43Å; L556-K559 PolarHBondContact O-N 3.35Å; E557-K559 VanDerWaalsContact C-N 3.3Å; E557-K559 PolarHBondContact O-N 3.38Å; K559-H561 VanDerWaalsContact C-N 3.33Å
560S79.2Confident79.4Confident16 Ų1688.8 Ų88.811%0.11241%0.41CS..Hα-helixtrans-69-27.317749.50000113.4Q525 L556 E557Q525-S560 PolarHBondContact NE2-O 2.98Å; L556-S560 WeakPolarHBondContact O-CB 3.36Å; L556-S560 PolarHBondContact O-N 3.46Å; L556-S560 PolarHBondContact O-OG 3.29Å; E557-S560 WeakPolarHBondContact CA-OG 3.46Å; E557-S560 PolarHBondContact O-N 3.16Å; E557-S560 PolarHBondContact O-OG 3.49Å
561H73.8Confident78.8Confident116 Ų11689.4 Ų89.454%0.53741%0.409SS..THydrogen-bonded Turntrans-101.55.7-177-66.172.9000115E557 K559 Y563E557-H561 PolarHBondContact O-N 2.97Å; E557-H561 VanDerWaalsContact O-N 3.17Å; E557-H561 PolarHBondContact O-ND1 3.49Å; K559-H561 VanDerWaalsContact C-N 3.33Å; H561-Y563 VanDerWaalsContact C-N 3.25Å; H561-Y563 PolarHBondContact O-N 3.3Å; H561-Y563 VanDerWaalsContact O-N 3.1Å
562K55.3Low77.7Confident160 Ų16086.6 Ų86.670%0.69640%0.404SS*.SBendtrans-77.17.7-166.6-141.2-179.2177.1-177.40116.5K558K558-K562 WeakPolarHBondContact O-CB 3.38Å
563Y43.4Very low76.6Confident197 Ų19793.7 Ų93.777%0.77344%0.437SS*.  trans-145.577171.6-72.9-80.6000110.3H561H561-Y563 VanDerWaalsContact C-N 3.25Å; H561-Y563 PolarHBondContact O-N 3.3Å; H561-Y563 VanDerWaalsContact O-N 3.1Å
564H38.5Very low75.4Confident249 Ų24999.1 Ų99.1100%1.15346%0.455SS*.  trans-105.80149.7-88.4-32000109

Retrieved 564 of 564 residues in 1285.9 ms (Link to these results)

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