A0A087X616_POEFO Loading...

Hydroxysteroid dehydrogenase-like protein 2

AlphaFold DB , UniProt , Accession A0A087X616, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 416 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
1M85.6Confident95.7Very high95 Ų9559.9 Ų59.947%0.46837%0.366SS..  0159.70-72.2178.4179.200106.8Q3 D222 D226 Y260M1-Q3 PolarHBondContact O-N 3.3Å; M1-D222 HydrophobicContact CE-CB 4.18Å; M1-D222 HydrophobicContact SD-CB 4.34Å; M1-D226 WeakPolarHBondContact CB-OD2 3.5Å; M1-Y260 VanDerWaalsContact CA-OH 3.32Å; M1-Y260 WeakPolarHBondContact CA-OH 3.3Å; M1-Y260 HydrophobicContact CB-CE1 4.35Å; M1-Y260 HydrophobicContact CG-CD1 4.46Å; M1-Y260 HydrophobicContact CG-CE1 3.75Å
2L92.7Very high95.9Very high28 Ų2855.1 Ų55.115%0.14734%0.337CS..PPolyproline II helixtrans-62.1129.4176.2-174.468.5000108.6K29 D226 Y229 A230 L249 H252 Y260L2-K29 PolarHBondContact O-NZ 3.01Å; L2-D226 HydrophobicContact CB-CB 3.79Å; L2-D226 HydrophobicContact CD2-CB 4.47Å; L2-D226 WeakPolarHBondContact CD2-O 3.46Å; L2-D226 PolarHBondContact N-OD2 2.87Å; L2-Y229 HydrophobicContact CD2-CD1 4.04Å; L2-A230 HydrophobicContact CD2-CB 3.83Å; L2-L249 HydrophobicContact CB-CD2 4.2Å; L2-L249 HydrophobicContact CD2-CD2 4.13Å; L2-H252 HydrophobicContact CD1-CB 3.97Å; L2-Y260 PolarHBondContact N-OH 3.23Å
3Q94.9Very high96.2Very high155 Ų15550.8 Ų50.872%0.72431%0.311SS*.PPolyproline II helixtrans-79.8145.8-179.5-66.6-63.6-2500111.5M1M1-Q3 PolarHBondContact O-N 3.3Å
4N96.6Very high96.4Very high43 Ų4347.2 Ų47.223%0.2329%0.289CS..PPolyproline II helixtrans-64.9149.1170.5-84.666.9000110.8K29 Q32 D33N4-K29 PolarHBondContact ND2-O 3.28Å; N4-K29 VanDerWaalsContact OD1-CD 3.31Å; N4-K29 WeakPolarHBondContact OD1-CD 3.32Å; N4-K29 WeakPolarHBondContact OD1-CE 3.48Å; N4-K29 PolarHBondContact OD1-NZ 3.16Å; N4-Q32 PolarHBondContact OD1-OE1 2.82Å; N4-Q32 VanDerWaalsContact OD1-OE1 3.08Å; N4-D33 VanDerWaalsContact CB-OD1 3.27Å; N4-D33 WeakPolarHBondContact CB-OD1 3.33Å; N4-D33 PolarHBondContact ND2-OD1 3.42Å
5S95.8Very high96.5Very high76 Ų7644.1 Ų44.153%0.53127%0.269SS..  trans-128.32.9-174.9590000113.7K7 Y229S5-K7 PolarHBondContact O-N 3.14Å; S5-Y229 WeakPolarHBondContact CA-OH 3.47Å; S5-Y229 PolarHBondContact N-OH 2.92Å; S5-Y229 PolarHBondContact OG-OH 2.76Å
6G96.7Very high96.7Very high38 Ų3841.4 Ų41.439%0.39225%0.253SS..SBendtrans73.87.5-178.600000113.8L8 A9 D33G6-L8 PolarHBondContact O-N 2.99Å; G6-A9 VanDerWaalsContact O-CB 3.27Å; G6-A9 WeakPolarHBondContact O-CB 3.28Å; G6-A9 PolarHBondContact O-N 3.09Å; G6-D33 WeakPolarHBondContact CA-OD1 3.39Å; G6-D33 WeakPolarHBondContact CA-OD2 3.4Å; G6-D33 VanDerWaalsContact N-CG 3.33Å; G6-D33 PolarHBondContact N-OD1 3.1Å; G6-D33 PolarHBondContact N-OD2 2.81Å
7K96.4Very high96.8Very high101 Ų10140 Ų4044%0.43925%0.249SC..THydrogen-bonded Turntrans-67.6-25.6-176.8-86.5-172.9168-171.70113S5 D33 R145 S233S5-K7 PolarHBondContact O-N 3.14Å; K7-D33 PolarHBondContact N-OD2 3.17Å; K7-R145 PolarHBondContact O-NE 3.02Å; K7-R145 VanDerWaalsContact O-NE 3.08Å; K7-R145 PolarHBondContact O-NH2 3.09Å; K7-S233 PolarHBondContact NZ-O 2.93Å
8L98.3Very high96.9Very high1 Ų137.8 Ų37.81%0.00524%0.235CC..THydrogen-bonded Turntrans-97.75.9179.3-55-174.2000112.8G6 G10 C11 A30 D33 A35 I97 Y229 L232G6-L8 PolarHBondContact O-N 2.99Å; L8-G10 PolarHBondContact O-N 3.08Å; L8-C11 WeakPolarHBondContact O-CB 3.49Å; L8-C11 PolarHBondContact O-N 3.43Å; L8-A30 HydrophobicContact CD1-CB 3.87Å; L8-D33 HydrophobicContact CB-CB 4.01Å; L8-D33 PolarHBondContact N-OD2 3.12Å; L8-A35 HydrophobicContact CB-CB 4.42Å; L8-A35 WeakPolarHBondContact O-CB 3.21Å; L8-I97 HydrophobicContact CD2-CD1 3.85Å; L8-Y229 HydrophobicContact CD1-CD2 3.54Å; L8-Y229 HydrophobicContact CD1-CE2 3.67Å; L8-Y229 HydrophobicContact CG-CD2 4.17Å; L8-Y229 HydrophobicContact CG-CE2 3.8Å; L8-L232 HydrophobicContact CD2-CB 4.34Å
9A98.4Very high96.9Very high59 Ų5935.9 Ų35.949%0.48822%0.223SC..THydrogen-bonded Turntrans-56.4124.3178.700000111.3G6 C11 D33G6-A9 VanDerWaalsContact O-CB 3.27Å; G6-A9 WeakPolarHBondContact O-CB 3.28Å; G6-A9 PolarHBondContact O-N 3.09Å; A9-C11 PolarHBondContact O-N 3.36Å; A9-C11 VanDerWaalsContact O-N 3.16Å; A9-D33 WeakPolarHBondContact CA-O 3.27Å; A9-D33 WeakPolarHBondContact CB-O 3.38Å
10G98.2Very high96.9Very high50 Ų5036.6 Ų36.652%0.51522%0.222SC..THydrogen-bonded Turntrans70.6-2.6-178.200000115.8L8 G34 N36L8-G10 PolarHBondContact O-N 3.08Å; G10-G34 PolarHBondContact N-O 3.06Å; G10-G34 VanDerWaalsContact N-O 3.12Å; G10-N36 PolarHBondContact O-ND2 3.43Å
11C98.8Very high97Very high13 Ų1336 Ų369%0.08822%0.223CC..  trans-70146.6172.5-68.90000110.6L8 A9 L13 N36 D96L8-C11 WeakPolarHBondContact O-CB 3.49Å; L8-C11 PolarHBondContact O-N 3.43Å; A9-C11 PolarHBondContact O-N 3.36Å; A9-C11 VanDerWaalsContact O-N 3.16Å; C11-L13 HydrophobicContact CB-CD1 4.39Å; C11-N36 PolarHBondContact O-N 3.33Å; C11-D96 WeakPolarHBondContact CA-OD2 3.42Å; C11-D96 HydrophobicContact CB-CB 4.21Å
12T98.9Very high97.6Very high2 Ų233 Ų331%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-103.9113.7176.2-55.80000110.9N36 V38 F92 G94 D96 I97T12-N36 CarbonylContact C-O 3.26Å; T12-N36 WeakPolarHBondContact CA-O 3.42Å; T12-N36 HydrophobicContact CG2-CB 4.23Å; T12-N36 PolarHBondContact OG1-ND2 2.81Å; T12-N36 VanDerWaalsContact OG1-ND2 3.08Å; T12-V38 HydrophobicContact CG2-CG2 4.21Å; T12-F92 HydrophobicContact CG2-CB 3.97Å; T12-F92 HydrophobicContact CG2-CD2 3.7Å; T12-F92 HydrophobicContact CG2-CG 4.18Å; T12-F92 WeakPolarHBondContact OG1-CB 3.37Å; T12-G94 WeakPolarHBondContact CB-O 3.42Å; T12-G94 WeakPolarHBondContact CG2-O 3.28Å; T12-D96 PolarHBondContact N-OD2 3.4Å; T12-D96 PolarHBondContact O-N 2.95Å; T12-I97 PolarHBondContact O-N 2.93Å; T12-I97 VanDerWaalsContact O-N 3.09Å
13L98.9Very high97.9Very high0 Ų031.6 Ų31.60%020%0.202CC..EExtended strand (participates in β ladder)trans-97.5123.7176.9-6878.3000110C11 I15 A30 A35 N36 V37 V38 I97 L232C11-L13 HydrophobicContact CB-CD1 4.39Å; L13-I15 HydrophobicContact CB-CD1 4.11Å; L13-I15 HydrophobicContact CB-CG1 4Å; L13-I15 HydrophobicContact CD2-CD1 4.09Å; L13-A30 HydrophobicContact CD1-CB 3.95Å; L13-A30 HydrophobicContact CD2-CB 3.46Å; L13-A30 VanDerWaalsContact CD2-CB 3.46Å; L13-A30 HydrophobicContact CG-CB 4.36Å; L13-A35 HydrophobicContact CD1-CB 3.69Å; L13-N36 PolarHBondContact N-O 2.87Å; L13-V37 WeakPolarHBondContact O-CA 3.45Å; L13-V38 PolarHBondContact O-N 2.76Å; L13-I97 CarbonylContact C-O 3.49Å; L13-I97 WeakPolarHBondContact CA-O 3.38Å; L13-I97 HydrophobicContact CD1-CD1 4.27Å; L13-I97 HydrophobicContact CD2-CG2 4.41Å; L13-I97 HydrophobicContact CG-CB 3.97Å; L13-I97 HydrophobicContact CG-CD1 4.07Å; L13-I97 HydrophobicContact CG-CG2 4.16Å; L13-L232 HydrophobicContact CD2-CD1 4.35Å
14F98.9Very high98Very high0 Ų026.3 Ų26.30%018%0.176CC..EExtended strand (participates in β ladder)trans-96.9110.1167.2-166-75.5000109.3T16 V38 A40 A84 V85 A88 I95 I97 L98 V99 T132 V136F14-T16 HydrophobicContact CD1-CG2 4.47Å; F14-T16 HydrophobicContact CE1-CG2 4.17Å; F14-V38 HydrophobicContact CD2-CB 3.87Å; F14-V38 HydrophobicContact CD2-CG1 3.75Å; F14-V38 HydrophobicContact CD2-CG2 4.18Å; F14-V38 HydrophobicContact CE2-CB 4.41Å; F14-V38 HydrophobicContact CE2-CG1 3.78Å; F14-V38 HydrophobicContact CG-CB 4.34Å; F14-A40 HydrophobicContact CD1-CB 4.43Å; F14-A40 HydrophobicContact CE1-CB 3.64Å; F14-A40 HydrophobicContact CZ-CB 3.76Å; F14-A84 HydrophobicContact CE2-CB 4.01Å; F14-A84 HydrophobicContact CZ-CB 3.99Å; F14-V85 HydrophobicContact CD2-CG2 4.39Å; F14-V85 HydrophobicContact CE2-CG2 3.84Å; F14-V85 HydrophobicContact CZ-CG2 4.12Å; F14-A88 HydrophobicContact CD2-CB 4.48Å; F14-I95 HydrophobicContact CB-CD1 4.48Å; F14-I95 HydrophobicContact CB-CG2 3.94Å; F14-I95 HydrophobicContact CD2-CD1 4.05Å; F14-I97 PolarHBondContact N-O 3.12Å; F14-L98 HydrophobicContact CB-CD1 4.42Å; F14-L98 HydrophobicContact CD1-CD1 3.85Å; F14-L98 WeakPolarHBondContact O-CA 3.37Å; F14-L98 WeakPolarHBondContact O-CD1 3.49Å; F14-V99 PolarHBondContact O-N 2.83Å; F14-T132 HydrophobicContact CD1-CG2 4.2Å; F14-T132 HydrophobicContact CE1-CG2 3.86Å; F14-V136 HydrophobicContact CG-CG2 4.45Å
15I98.9Very high98.2Very high0 Ų024.9 Ų24.90%017%0.17CC..EExtended strand (participates in β ladder)trans-118.4116.2-172.7-51-178.2000110.2L13 A18 I26 A27 V37 V38 A40 V99L13-I15 HydrophobicContact CB-CD1 4.11Å; L13-I15 HydrophobicContact CB-CG1 4Å; L13-I15 HydrophobicContact CD2-CD1 4.09Å; I15-A18 HydrophobicContact CB-CB 3.77Å; I15-A18 HydrophobicContact CG2-CB 3.56Å; I15-I26 HydrophobicContact CD1-CG2 4.14Å; I15-A27 HydrophobicContact CD1-CB 3.93Å; I15-V37 HydrophobicContact CD1-CG1 3.95Å; I15-V37 HydrophobicContact CG1-CG1 4.37Å; I15-V38 PolarHBondContact N-O 3.08Å; I15-A40 PolarHBondContact O-N 2.99Å; I15-A40 VanDerWaalsContact O-N 3.08Å; I15-V99 HydrophobicContact CB-CB 4.33Å; I15-V99 HydrophobicContact CG1-CB 4.03Å; I15-V99 HydrophobicContact CG1-CG2 4.14Å; I15-V99 HydrophobicContact CG2-CB 4.03Å; I15-V99 HydrophobicContact CG2-CG1 4.2Å
16T98.9Very high98.3Very high1 Ų121.4 Ų21.41%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-78.5133.4174.866.20000110.5F14 A40 I75 V99 N101 A102 T132F14-T16 HydrophobicContact CD1-CG2 4.47Å; F14-T16 HydrophobicContact CE1-CG2 4.17Å; T16-A40 CarbonylContact C-O 3.59Å; T16-A40 WeakPolarHBondContact CA-O 3.35Å; T16-I75 HydrophobicContact CG2-CG2 3.94Å; T16-V99 PolarHBondContact N-O 3.12Å; T16-V99 PolarHBondContact OG1-O 3.25Å; T16-N101 VanDerWaalsContact O-CB 3.27Å; T16-N101 WeakPolarHBondContact O-CB 3.42Å; T16-N101 PolarHBondContact O-ND2 2.88Å; T16-N101 PolarHBondContact OG1-N 3.41Å; T16-N101 VanDerWaalsContact OG1-N 3.07Å; T16-A102 PolarHBondContact O-N 2.98Å; T16-A102 VanDerWaalsContact O-N 3.13Å; T16-A102 PolarHBondContact OG1-N 3.38Å; T16-A102 VanDerWaalsContact OG1-N 3.11Å; T16-T132 HydrophobicContact CG2-CG2 3.85Å
17G98.1Very high98.4Very high18 Ų1819.7 Ų19.719%0.18613%0.127CC..THydrogen-bonded Turntrans72.624.9179.800000114.7S19 A40 N101G17-S19 VanDerWaalsContact C-N 3.26Å; G17-S19 PolarHBondContact O-N 3.34Å; G17-A40 PolarHBondContact N-O 2.67Å; G17-N101 PolarHBondContact O-ND2 3.41Å
18A98.4Very high98.5Very high0 Ų016.6 Ų16.60%012%0.116CC..THydrogen-bonded Turntrans-77.35.6-177.800000115.8I15 R20 K24 I39I15-A18 HydrophobicContact CB-CB 3.77Å; I15-A18 HydrophobicContact CG2-CB 3.56Å; A18-R20 PolarHBondContact O-N 2.94Å; A18-K24 WeakPolarHBondContact O-CA 3.2Å; A18-K24 WeakPolarHBondContact O-CB 3.27Å; A18-I39 HydrophobicContact CB-CB 4.41Å; A18-I39 HydrophobicContact CB-CG1 4.42Å; A18-I39 HydrophobicContact CB-CG2 3.93Å
19S98Very high98.6Very high2 Ų217.3 Ų17.31%0.01412%0.119CC..THydrogen-bonded Turntrans-68.4-17.6178.853.20000114.2G17G17-S19 VanDerWaalsContact C-N 3.26Å; G17-S19 PolarHBondContact O-N 3.34Å
20R97.4Very high98.6Very high49 Ų4914.6 Ų14.619%0.18510%0.096CC..SBendtrans-166.1173.3-177.164.6-173.26679.62.1111.7A18 K24 T43 P51 G52A18-R20 PolarHBondContact O-N 2.94Å; R20-K24 PolarHBondContact O-N 3.5Å; R20-T43 PolarHBondContact NH1-OG1 3.08Å; R20-T43 PolarHBondContact NH2-OG1 2.9Å; R20-T43 VanDerWaalsContact NH2-OG1 3.08Å; R20-P51 PolarHBondContact NE-O 2.95Å; R20-P51 PolarHBondContact NH2-O 2.86Å; R20-G52 PolarHBondContact NH2-O 3.47Å
21G97.3Very high98.6Very high25 Ų2512.2 Ų12.226%0.2587%0.072SC..Hα-helixtrans60.9-146.2170.900000113.4G23 K24 A25G21-G23 PolarHBondContact O-N 2.79Å; G21-K24 PolarHBondContact O-N 3.2Å; G21-K24 VanDerWaalsContact O-N 3.1Å; G21-A25 PolarHBondContact O-N 3.34Å
22I98.7Very high98.6Very high31 Ų3116.9 Ų16.916%0.1599%0.092CC..Hα-helixtrans-54.7-47.8-176.9-65.6168.6000111.9K24 A25 I26 L151 I201 T203 A221 M224I22-K24 VanDerWaalsContact C-N 3.29Å; I22-K24 PolarHBondContact O-N 2.9Å; I22-A25 PolarHBondContact O-N 2.7Å; I22-A25 VanDerWaalsContact O-N 3.12Å; I22-I26 HydrophobicContact CG2-CD1 3.75Å; I22-I26 HydrophobicContact CG2-CG1 4.33Å; I22-I26 WeakPolarHBondContact O-CG1 3.38Å; I22-I26 PolarHBondContact O-N 3.09Å; I22-L151 HydrophobicContact CG2-CD1 4.29Å; I22-I201 HydrophobicContact CD1-CB 4.14Å; I22-I201 HydrophobicContact CD1-CG1 4.23Å; I22-I201 HydrophobicContact CD1-CG2 4.09Å; I22-I201 HydrophobicContact CG1-CB 4.5Å; I22-I201 HydrophobicContact CG1-CG2 3.89Å; I22-T203 HydrophobicContact CG1-CG2 4.34Å; I22-A221 HydrophobicContact CG1-CB 4.4Å; I22-M224 HydrophobicContact CD1-CG 4.24Å; I22-M224 HydrophobicContact CG1-CB 4.42Å; I22-M224 HydrophobicContact CG1-CG 4.41Å; I22-M224 HydrophobicContact CG2-CB 3.84Å; I22-M224 HydrophobicContact CG2-CG 4.41Å
23G98.7Very high98.6Very high0 Ų017.6 Ų17.60%010%0.096CC..Hα-helixtrans-57.8-39.7178.500000113.3G21 A27 N101G21-G23 PolarHBondContact O-N 2.79Å; G23-A27 WeakPolarHBondContact O-CB 3.35Å; G23-A27 PolarHBondContact O-N 3.21Å; G23-A27 VanDerWaalsContact O-N 3.08Å; G23-N101 WeakPolarHBondContact CA-ND2 3.4Å; G23-N101 PolarHBondContact N-OD1 2.84Å
24K98.8Very high98.6Very high44 Ų4419.1 Ų19.119%0.19111%0.111CC..Hα-helixtrans-69-43174.8-169.7176.866.7155.40111.4A18 R20 G21 I22 I26 A27 L28 A57 E60A18-K24 WeakPolarHBondContact O-CA 3.2Å; A18-K24 WeakPolarHBondContact O-CB 3.27Å; R20-K24 PolarHBondContact O-N 3.5Å; G21-K24 PolarHBondContact O-N 3.2Å; G21-K24 VanDerWaalsContact O-N 3.1Å; I22-K24 VanDerWaalsContact C-N 3.29Å; I22-K24 PolarHBondContact O-N 2.9Å; K24-I26 VanDerWaalsContact C-N 3.32Å; K24-I26 PolarHBondContact O-N 2.91Å; K24-A27 WeakPolarHBondContact O-CA 3.45Å; K24-A27 VanDerWaalsContact O-CB 3.29Å; K24-A27 WeakPolarHBondContact O-CB 3.47Å; K24-A27 PolarHBondContact O-N 3.02Å; K24-A27 VanDerWaalsContact O-N 3.1Å; K24-L28 HydrophobicContact CG-CD1 4.27Å; K24-L28 HydrophobicContact CG-CG 4.3Å; K24-L28 WeakPolarHBondContact O-CG 3.44Å; K24-L28 PolarHBondContact O-N 3.14Å; K24-A57 HydrophobicContact CD-CB 4.01Å; K24-A57 HydrophobicContact CG-CB 4.33Å; K24-E60 WeakPolarHBondContact CE-OE2 3.29Å; K24-E60 IonicContact NZ-OE1 2.7Å; K24-E60 PolarHBondContact NZ-OE1 2.84Å; K24-E60 IonicContact NZ-OE2 2.63Å; K24-E60 PolarHBondContact NZ-OE2 3.4Å
25A98.8Very high98.6Very high12 Ų1219.1 Ų19.110%0.09911%0.111CC..Hα-helixtrans-60.2-42.6178.300000111.8G21 I22 A27 L28 K29 A221 A225G21-A25 PolarHBondContact O-N 3.34Å; I22-A25 PolarHBondContact O-N 2.7Å; I22-A25 VanDerWaalsContact O-N 3.12Å; A25-A27 VanDerWaalsContact C-N 3.35Å; A25-A27 PolarHBondContact O-N 3.45Å; A25-L28 PolarHBondContact O-N 3.06Å; A25-K29 WeakPolarHBondContact O-CB 3.42Å; A25-K29 PolarHBondContact O-N 3.39Å; A25-A221 HydrophobicContact CB-CB 3.66Å; A25-A225 VanDerWaalsContact C-CB 3.48Å; A25-A225 HydrophobicContact CB-CB 3.86Å; A25-A225 WeakPolarHBondContact O-CB 3.47Å
26I98.9Very high98.6Very high4 Ų419.7 Ų19.72%0.02112%0.115CC..Hα-helixtrans-61-43.3173.2-64.3167.7000111I15 I22 K24 K29 A30 V99 L151 A225 A228I15-I26 HydrophobicContact CD1-CG2 4.14Å; I22-I26 HydrophobicContact CG2-CD1 3.75Å; I22-I26 HydrophobicContact CG2-CG1 4.33Å; I22-I26 WeakPolarHBondContact O-CG1 3.38Å; I22-I26 PolarHBondContact O-N 3.09Å; K24-I26 VanDerWaalsContact C-N 3.32Å; K24-I26 PolarHBondContact O-N 2.91Å; I26-K29 PolarHBondContact O-N 3.01Å; I26-A30 PolarHBondContact O-N 3.24Å; I26-A30 VanDerWaalsContact O-N 3.07Å; I26-V99 HydrophobicContact CD1-CG1 4.15Å; I26-V99 HydrophobicContact CG2-CG2 4.42Å; I26-L151 HydrophobicContact CD1-CD1 4.2Å; I26-L151 HydrophobicContact CD1-CD2 4.37Å; I26-A225 HydrophobicContact CG1-CB 4.42Å; I26-A228 HydrophobicContact CD1-CB 3.95Å; I26-A228 HydrophobicContact CG1-CB 3.86Å; I26-A228 HydrophobicContact CG2-CB 4.19Å
27A98.9Very high98.6Very high1 Ų119.7 Ų19.71%0.00811%0.114CC..Hα-helixtrans-57.9-49.5175.900000112.1I15 G23 K24 A25 K29 A30 A31 V37 V61I15-A27 HydrophobicContact CD1-CB 3.93Å; G23-A27 WeakPolarHBondContact O-CB 3.35Å; G23-A27 PolarHBondContact O-N 3.21Å; G23-A27 VanDerWaalsContact O-N 3.08Å; K24-A27 WeakPolarHBondContact O-CA 3.45Å; K24-A27 VanDerWaalsContact O-CB 3.29Å; K24-A27 WeakPolarHBondContact O-CB 3.47Å; K24-A27 PolarHBondContact O-N 3.02Å; K24-A27 VanDerWaalsContact O-N 3.1Å; A25-A27 VanDerWaalsContact C-N 3.35Å; A25-A27 PolarHBondContact O-N 3.45Å; A27-K29 VanDerWaalsContact C-N 3.34Å; A27-K29 PolarHBondContact O-N 3.23Å; A27-A30 PolarHBondContact O-N 3.33Å; A27-A31 VanDerWaalsContact O-CB 3.32Å; A27-A31 WeakPolarHBondContact O-CB 3.19Å; A27-A31 PolarHBondContact O-N 3.13Å; A27-V37 HydrophobicContact CB-CG1 3.78Å; A27-V61 HydrophobicContact CB-CG2 3.96Å
28L98.9Very high98.6Very high37 Ų3718.8 Ų18.819%0.19411%0.105CC..Hα-helixtrans-63.9-39.9179.7-63.4178.3000111.8K24 A25 A30 A31 Q32 E60 V61 A64K24-L28 HydrophobicContact CG-CD1 4.27Å; K24-L28 HydrophobicContact CG-CG 4.3Å; K24-L28 WeakPolarHBondContact O-CG 3.44Å; K24-L28 PolarHBondContact O-N 3.14Å; A25-L28 PolarHBondContact O-N 3.06Å; L28-A30 VanDerWaalsContact C-N 3.35Å; L28-A30 PolarHBondContact O-N 3.34Å; L28-A31 WeakPolarHBondContact O-CB 3.34Å; L28-A31 PolarHBondContact O-N 2.82Å; L28-Q32 WeakPolarHBondContact O-CG 3.34Å; L28-Q32 PolarHBondContact O-N 2.88Å; L28-Q32 VanDerWaalsContact O-N 3.09Å; L28-E60 VanDerWaalsContact CD2-C 3.43Å; L28-E60 HydrophobicContact CD2-CB 3.73Å; L28-E60 WeakPolarHBondContact CD2-O 3.31Å; L28-V61 HydrophobicContact CD2-CG2 3.97Å; L28-A64 HydrophobicContact CD2-CB 4.28Å
29K98.9Very high98.6Very high16 Ų1618.8 Ų18.87%0.0711%0.105CC..Hα-helixtrans-62.4-41.5177.3-176.562.1175.5-164.40112.7L2 N4 A25 I26 A27 A225 D226 Y229L2-K29 PolarHBondContact O-NZ 3.01Å; N4-K29 PolarHBondContact ND2-O 3.28Å; N4-K29 VanDerWaalsContact OD1-CD 3.31Å; N4-K29 WeakPolarHBondContact OD1-CD 3.32Å; N4-K29 WeakPolarHBondContact OD1-CE 3.48Å; N4-K29 PolarHBondContact OD1-NZ 3.16Å; A25-K29 WeakPolarHBondContact O-CB 3.42Å; A25-K29 PolarHBondContact O-N 3.39Å; I26-K29 PolarHBondContact O-N 3.01Å; A27-K29 VanDerWaalsContact C-N 3.34Å; A27-K29 PolarHBondContact O-N 3.23Å; K29-A225 HydrophobicContact CB-CB 3.94Å; K29-A225 HydrophobicContact CG-CB 4.42Å; K29-D226 WeakPolarHBondContact CD-OD1 3.32Å; K29-D226 WeakPolarHBondContact CE-OD1 3.31Å; K29-D226 IonicContact NZ-OD1 2.77Å; K29-D226 PolarHBondContact NZ-OD1 2.78Å; K29-Y229 HydrophobicContact CG-CD2 4.01Å; K29-Y229 HydrophobicContact CG-CG 4.03Å
30A98.8Very high98.7Very high2 Ų218.8 Ų18.82%0.01711%0.105CC..Hα-helixtrans-71.5-35.9174.200000112.1L8 L13 I26 A27 L28 Q32 D33 A35L8-A30 HydrophobicContact CD1-CB 3.87Å; L13-A30 HydrophobicContact CD1-CB 3.95Å; L13-A30 HydrophobicContact CD2-CB 3.46Å; L13-A30 VanDerWaalsContact CD2-CB 3.46Å; L13-A30 HydrophobicContact CG-CB 4.36Å; I26-A30 PolarHBondContact O-N 3.24Å; I26-A30 VanDerWaalsContact O-N 3.07Å; A27-A30 PolarHBondContact O-N 3.33Å; L28-A30 VanDerWaalsContact C-N 3.35Å; L28-A30 PolarHBondContact O-N 3.34Å; A30-Q32 VanDerWaalsContact C-N 3.26Å; A30-Q32 PolarHBondContact O-N 3.47Å; A30-D33 WeakPolarHBondContact O-CB 3.17Å; A30-D33 PolarHBondContact O-N 2.83Å; A30-A35 HydrophobicContact CB-CB 4.04Å; A30-A35 WeakPolarHBondContact O-CB 3.39Å; A30-A35 PolarHBondContact O-N 3.04Å
31A98.8Very high98.7Very high0 Ų016.8 Ų16.80%010%0.099CC..Hα-helixtrans-61.2-34178.200000112.8A27 L28 D33 G34 V61 A64 G65 G66A27-A31 VanDerWaalsContact O-CB 3.32Å; A27-A31 WeakPolarHBondContact O-CB 3.19Å; A27-A31 PolarHBondContact O-N 3.13Å; L28-A31 WeakPolarHBondContact O-CB 3.34Å; L28-A31 PolarHBondContact O-N 2.82Å; A31-D33 PolarHBondContact O-N 3.44Å; A31-D33 VanDerWaalsContact O-N 3.14Å; A31-G34 WeakPolarHBondContact O-CA 3.34Å; A31-G34 PolarHBondContact O-N 3.36Å; A31-V61 HydrophobicContact CB-CB 4.44Å; A31-V61 HydrophobicContact CB-CG1 3.94Å; A31-V61 WeakPolarHBondContact CB-O 3.2Å; A31-A64 HydrophobicContact CB-CB 3.86Å; A31-G65 CarbonylContact O-C 3.55Å; A31-G65 VanDerWaalsContact O-C 3.26Å; A31-G66 PolarHBondContact O-N 3.08Å; A31-G66 VanDerWaalsContact O-N 3.14Å
32Q98.7Very high98.6Very high110 Ų11020.7 Ų20.751%0.51411%0.109SC..THydrogen-bonded Turntrans-60-20.7174.1-71.6167.63.100114N4 L28 A30 A64N4-Q32 PolarHBondContact OD1-OE1 2.82Å; N4-Q32 VanDerWaalsContact OD1-OE1 3.08Å; L28-Q32 WeakPolarHBondContact O-CG 3.34Å; L28-Q32 PolarHBondContact O-N 2.88Å; L28-Q32 VanDerWaalsContact O-N 3.09Å; A30-Q32 VanDerWaalsContact C-N 3.26Å; A30-Q32 PolarHBondContact O-N 3.47Å; Q32-A64 WeakPolarHBondContact CA-O 3.38Å; Q32-A64 HydrophobicContact CG-CB 4.35Å
33D98.5Very high98.4Very high18 Ų1820.3 Ų20.310%0.09611%0.108CC..THydrogen-bonded Turntrans-86.8-5.4171.8-92.816.8000113.1N4 G6 K7 L8 A9 A30 A31 Y229N4-D33 VanDerWaalsContact CB-OD1 3.27Å; N4-D33 WeakPolarHBondContact CB-OD1 3.33Å; N4-D33 PolarHBondContact ND2-OD1 3.42Å; G6-D33 WeakPolarHBondContact CA-OD1 3.39Å; G6-D33 WeakPolarHBondContact CA-OD2 3.4Å; G6-D33 VanDerWaalsContact N-CG 3.33Å; G6-D33 PolarHBondContact N-OD1 3.1Å; G6-D33 PolarHBondContact N-OD2 2.81Å; K7-D33 PolarHBondContact N-OD2 3.17Å; L8-D33 HydrophobicContact CB-CB 4.01Å; L8-D33 PolarHBondContact N-OD2 3.12Å; A9-D33 WeakPolarHBondContact CA-O 3.27Å; A9-D33 WeakPolarHBondContact CB-O 3.38Å; A30-D33 WeakPolarHBondContact O-CB 3.17Å; A30-D33 PolarHBondContact O-N 2.83Å; A31-D33 PolarHBondContact O-N 3.44Å; A31-D33 VanDerWaalsContact O-N 3.14Å; D33-Y229 WeakPolarHBondContact OD2-CE2 3.41Å; D33-Y229 PolarHBondContact OD2-OH 3.29Å
34G98.6Very high98.3Very high31 Ų3121.5 Ų21.532%0.3212%0.118SC..THydrogen-bonded Turntrans80.531.3-169.600000113.5G10 A31 G65G10-G34 PolarHBondContact N-O 3.06Å; G10-G34 VanDerWaalsContact N-O 3.12Å; A31-G34 WeakPolarHBondContact O-CA 3.34Å; A31-G34 PolarHBondContact O-N 3.36Å; G34-G65 WeakPolarHBondContact CA-O 3.5Å
35A98.8Very high98.1Very high0 Ų026.3 Ų26.30%014%0.141CC..  trans-75.4157.3175.400000112.7L8 L13 A30 G66 K67L8-A35 HydrophobicContact CB-CB 4.42Å; L8-A35 WeakPolarHBondContact O-CB 3.21Å; L13-A35 HydrophobicContact CD1-CB 3.69Å; A30-A35 HydrophobicContact CB-CB 4.04Å; A30-A35 WeakPolarHBondContact O-CB 3.39Å; A30-A35 PolarHBondContact O-N 3.04Å; A35-G66 CarbonylContact O-C 3.52Å; A35-G66 WeakPolarHBondContact O-CA 3.5Å; A35-K67 PolarHBondContact O-N 3.3Å
36N98.9Very high97.7Very high13 Ų1330.8 Ų30.87%0.0717%0.169CC..EExtended strand (participates in β ladder)trans-90134.5166.4-45-53.4000109G10 C11 T12 L13 K67 F92G10-N36 PolarHBondContact O-ND2 3.43Å; C11-N36 PolarHBondContact O-N 3.33Å; T12-N36 CarbonylContact C-O 3.26Å; T12-N36 WeakPolarHBondContact CA-O 3.42Å; T12-N36 HydrophobicContact CG2-CB 4.23Å; T12-N36 PolarHBondContact OG1-ND2 2.81Å; T12-N36 VanDerWaalsContact OG1-ND2 3.08Å; L13-N36 PolarHBondContact N-O 2.87Å; N36-K67 CarbonylContact C-O 3.58Å; N36-K67 WeakPolarHBondContact CA-O 3.37Å; N36-K67 WeakPolarHBondContact OD1-CD 3.27Å; N36-F92 HydrophobicContact CB-CB 4.43Å; N36-F92 HydrophobicContact CB-CD1 3.68Å; N36-F92 HydrophobicContact CB-CD2 3.82Å; N36-F92 HydrophobicContact CB-CE1 3.76Å; N36-F92 HydrophobicContact CB-CE2 3.87Å; N36-F92 HydrophobicContact CB-CG 3.72Å; N36-F92 HydrophobicContact CB-CZ 3.85Å
37V98.9Very high97.1Very high0 Ų035 Ų350%019%0.189CC..EExtended strand (participates in β ladder)trans-126.4119-178.1-174.20000110.8L13 I15 A27 I39 V61 K67 A68 L69L13-V37 WeakPolarHBondContact O-CA 3.45Å; I15-V37 HydrophobicContact CD1-CG1 3.95Å; I15-V37 HydrophobicContact CG1-CG1 4.37Å; A27-V37 HydrophobicContact CB-CG1 3.78Å; V37-I39 HydrophobicContact CG1-CG1 4.05Å; V37-V61 HydrophobicContact CB-CG1 4.1Å; V37-V61 HydrophobicContact CG2-CG1 4.06Å; V37-K67 PolarHBondContact N-O 3.01Å; V37-A68 CarbonylContact O-C 3.52Å; V37-A68 WeakPolarHBondContact O-CA 3.45Å; V37-L69 PolarHBondContact O-N 3.38Å
38V98.9Very high96.3Very high0 Ų041 Ų410%023%0.227CC..EExtended strand (participates in β ladder)trans-88.5114.6167.7-169.80000108.5T12 L13 F14 I15 A40 L69 A88 F92T12-V38 HydrophobicContact CG2-CG2 4.21Å; L13-V38 PolarHBondContact O-N 2.76Å; F14-V38 HydrophobicContact CD2-CB 3.87Å; F14-V38 HydrophobicContact CD2-CG1 3.75Å; F14-V38 HydrophobicContact CD2-CG2 4.18Å; F14-V38 HydrophobicContact CE2-CB 4.41Å; F14-V38 HydrophobicContact CE2-CG1 3.78Å; F14-V38 HydrophobicContact CG-CB 4.34Å; I15-V38 PolarHBondContact N-O 3.08Å; V38-A40 PolarHBondContact O-N 2.78Å; V38-L69 WeakPolarHBondContact CA-O 3.5Å; V38-L69 HydrophobicContact CG1-CD2 4.29Å; V38-L69 HydrophobicContact CG2-CB 4.45Å; V38-L69 HydrophobicContact CG2-CD2 4.28Å; V38-A88 HydrophobicContact CG1-CB 4.4Å; V38-A88 HydrophobicContact CG2-CB 3.51Å; V38-F92 HydrophobicContact CG2-CD2 4.31Å; V38-F92 HydrophobicContact CG2-CE2 4.22Å
39I98.9Very high95.5Very high0 Ų046.8 Ų46.80%025%0.251CS..EExtended strand (participates in β ladder)trans-94.393.1-178.8-58.3167.3000107.6A18 V37 I54 A57 A58 V61 A68 L69 C71A18-I39 HydrophobicContact CB-CB 4.41Å; A18-I39 HydrophobicContact CB-CG1 4.42Å; A18-I39 HydrophobicContact CB-CG2 3.93Å; V37-I39 HydrophobicContact CG1-CG1 4.05Å; I39-I54 HydrophobicContact CG2-CB 4.06Å; I39-I54 HydrophobicContact CG2-CG2 3.97Å; I39-A57 HydrophobicContact CD1-CB 4Å; I39-A57 HydrophobicContact CG2-CB 4.39Å; I39-A58 HydrophobicContact CD1-CB 3.92Å; I39-V61 HydrophobicContact CD1-CG2 4.3Å; I39-A68 HydrophobicContact CD1-CB 4.3Å; I39-L69 PolarHBondContact N-O 3.39Å; I39-C71 PolarHBondContact O-N 2.76Å; I39-C71 VanDerWaalsContact O-O 3.1Å
40A98.8Very high94.9Very high1 Ų148.3 Ų48.31%0.00826%0.26CS..EExtended strand (participates in β ladder)trans-95.194.4-17800000110.9F14 I15 T16 G17 V38 V73F14-A40 HydrophobicContact CD1-CB 4.43Å; F14-A40 HydrophobicContact CE1-CB 3.64Å; F14-A40 HydrophobicContact CZ-CB 3.76Å; I15-A40 PolarHBondContact O-N 2.99Å; I15-A40 VanDerWaalsContact O-N 3.08Å; T16-A40 CarbonylContact C-O 3.59Å; T16-A40 WeakPolarHBondContact CA-O 3.35Å; G17-A40 PolarHBondContact N-O 2.67Å; V38-A40 PolarHBondContact O-N 2.78Å; A40-V73 HydrophobicContact CB-CB 4.09Å; A40-V73 HydrophobicContact CB-CG1 4.5Å; A40-V73 HydrophobicContact CB-CG2 3.97Å
41A98.3Very high94.4Very high7 Ų752.2 Ų52.26%0.05829%0.285CS..EExtended strand (participates in β ladder)trans-151.5166178.100000112.8I54 C71 V72 V73A41-I54 HydrophobicContact CB-CG2 3.79Å; A41-C71 PolarHBondContact N-O 3.27Å; A41-C71 VanDerWaalsContact O-O 3.13Å; A41-V72 WeakPolarHBondContact O-CA 3.39Å; A41-V73 CarbonylContact C-O 3.49Å; A41-V73 VanDerWaalsContact C-O 3.28Å; A41-V73 PolarHBondContact O-N 3.44Å
42K95.4Very high94.1Very high108 Ų10853.6 Ų53.647%0.4730%0.299SS..SBendtrans-80.3-26-172.6-60.5-174.8-60.4-1750115A44 V73 D74K42-A44 PolarHBondContact O-N 2.92Å; K42-A44 VanDerWaalsContact O-N 3.08Å; K42-V73 VanDerWaalsContact CG-O 3.23Å; K42-V73 WeakPolarHBondContact CG-O 3.41Å; K42-V73 PolarHBondContact N-O 3.03Å; K42-D74 HydrophobicContact CD-CB 3.83Å; K42-D74 WeakPolarHBondContact CD-OD2 3.33Å; K42-D74 HydrophobicContact CG-CB 4Å
43T94.1Very high94.1Very high23 Ų2348.8 Ų48.814%0.14128%0.277CS..  trans-82.891.4-167.5-47.80000110.8R20 E45 H47 T53 I54R20-T43 PolarHBondContact NH1-OG1 3.08Å; R20-T43 PolarHBondContact NH2-OG1 2.9Å; R20-T43 VanDerWaalsContact NH2-OG1 3.08Å; T43-E45 WeakPolarHBondContact CG2-O 3.39Å; T43-H47 HydrophobicContact CG2-CB 4.4Å; T43-T53 HydrophobicContact CG2-CG2 4.24Å; T43-T53 CarbonylContact O-C 3.59Å; T43-T53 VanDerWaalsContact O-CA 3.27Å; T43-T53 WeakPolarHBondContact O-CA 3.13Å; T43-T53 WeakPolarHBondContact O-CB 3.34Å; T43-I54 PolarHBondContact O-N 3.49Å
44A95.8Very high94.1Very high24 Ų2448 Ų4820%0.19827%0.273CS..  trans-83-45.4170.600000111.6K42 F55 V72K42-A44 PolarHBondContact O-N 2.92Å; K42-A44 VanDerWaalsContact O-N 3.08Å; A44-F55 HydrophobicContact CB-CE2 4.01Å; A44-F55 WeakPolarHBondContact O-CD2 3.32Å; A44-V72 HydrophobicContact CB-CG2 3.89Å
45E94.7Very high94.1Very high145 Ų14551.1 Ų51.168%0.67828%0.278SS*.SBendtrans-96.5149.3179.5-61.9-56.2138.200111.9T43 H47T43-E45 WeakPolarHBondContact CG2-O 3.39Å; E45-H47 PolarHBondContact O-N 2.85Å
46P91.1Very high94.1Very high107 Ų10753.8 Ų53.870%0.69529%0.294SS*.PPolyproline II helixtrans-53131.8174.5-26.234.9000112.5T53P46-T53 HydrophobicContact CG-CG2 4.46Å
47H85.4Confident94Very high92 Ų9253.2 Ų53.243%0.42629%0.291SS..BIsolated β-bridgetrans-103.6135.4-180-173.9-89000110.2T43 E45 K49 L50T43-H47 HydrophobicContact CG2-CB 4.4Å; E45-H47 PolarHBondContact O-N 2.85Å; H47-K49 PolarHBondContact ND1-N 3.25Å; H47-K49 PolarHBondContact O-N 3.05Å; H47-L50 HydrophobicContact CB-CB 4.12Å; H47-L50 PolarHBondContact ND1-N 3.32Å; H47-L50 PolarHBondContact O-N 3.13Å
48P82.1Confident94Very high127 Ų12753.5 Ų53.583%0.82529%0.293SS*.THydrogen-bonded Turntrans-63-19.9-172.624-35.5000114.5
49K82.6Confident94Very high158 Ų15858.2 Ų58.269%0.68732%0.319SS*.THydrogen-bonded Turntrans-116.3-12.9-178.7-58.5-172.7177.3-172.60114.8H47 M208H47-K49 PolarHBondContact ND1-N 3.25Å; H47-K49 PolarHBondContact O-N 3.05Å; K49-M208 HydrophobicContact CD-CE 4.43Å
50L85.9Confident94Very high49 Ų4961.7 Ų61.726%0.25734%0.335SS..BIsolated β-bridgetrans-124.7121.9-171.8-66.3175.7000108.8H47 A204 M208H47-L50 HydrophobicContact CB-CB 4.12Å; H47-L50 PolarHBondContact ND1-N 3.32Å; H47-L50 PolarHBondContact O-N 3.13Å; L50-A204 HydrophobicContact CD2-CB 4.21Å; L50-M208 HydrophobicContact CD2-SD 4.01Å
51P88.7Confident94Very high84 Ų8461.7 Ų61.755%0.54534%0.335SS..  trans-71.4155-179.530.3-35.3000111.1R20 A204R20-P51 PolarHBondContact NE-O 2.95Å; R20-P51 PolarHBondContact NH2-O 2.86Å; P51-A204 HydrophobicContact CG-CB 4.34Å
52G93.3Very high94.1Very high28 Ų2866.4 Ų66.429%0.28936%0.356SS..  trans73.6161.117300000115R20 T56R20-G52 PolarHBondContact NH2-O 3.47Å; G52-T56 WeakPolarHBondContact CA-OG1 3.41Å
53T98.2Very high94.2Very high10 Ų1065.6 Ų65.66%0.06137%0.369CS..  trans-137.9172.7179.465.10000108.2T43 P46 F55 T56 A57T43-T53 HydrophobicContact CG2-CG2 4.24Å; T43-T53 CarbonylContact O-C 3.59Å; T43-T53 VanDerWaalsContact O-CA 3.27Å; T43-T53 WeakPolarHBondContact O-CA 3.13Å; T43-T53 WeakPolarHBondContact O-CB 3.34Å; P46-T53 HydrophobicContact CG-CG2 4.46Å; T53-F55 PolarHBondContact O-N 2.93Å; T53-F55 PolarHBondContact OG1-N 2.91Å; T53-T56 PolarHBondContact N-OG1 2.67Å; T53-T56 PolarHBondContact O-OG1 2.75Å; T53-T56 PolarHBondContact OG1-N 3.48Å; T53-T56 VanDerWaalsContact OG1-N 3.12Å; T53-T56 PolarHBondContact OG1-OG1 2.94Å; T53-T56 VanDerWaalsContact OG1-OG1 3.1Å; T53-A57 WeakPolarHBondContact O-CB 2.96Å; T53-A57 PolarHBondContact O-N 2.72Å; T53-A57 VanDerWaalsContact O-N 3.13Å
54I98.5Very high94.4Very high1 Ų165.9 Ų65.91%0.00537%0.374CS..Hα-helixtrans-61.5-29171.260.5177.3000112.4I39 A41 T43 A58 P70 V72I39-I54 HydrophobicContact CG2-CB 4.06Å; I39-I54 HydrophobicContact CG2-CG2 3.97Å; A41-I54 HydrophobicContact CB-CG2 3.79Å; T43-I54 PolarHBondContact O-N 3.49Å; I54-A58 WeakPolarHBondContact O-CB 3.4Å; I54-A58 PolarHBondContact O-N 3.47Å; I54-P70 HydrophobicContact CB-CB 3.94Å; I54-P70 HydrophobicContact CD1-CB 4.02Å; I54-P70 HydrophobicContact CG1-CB 3.93Å; I54-V72 HydrophobicContact CD1-CB 4.46Å; I54-V72 HydrophobicContact CD1-CG2 3.58Å
55F98.6Very high94.6Very high97 Ų9767.2 Ų67.243%0.42539%0.39SS..Hα-helixtrans-77.7-46.8-178.3-55.5-62.9000111.9A44 T53 A57 A58 D59 P70A44-F55 HydrophobicContact CB-CE2 4.01Å; A44-F55 WeakPolarHBondContact O-CD2 3.32Å; T53-F55 PolarHBondContact O-N 2.93Å; T53-F55 PolarHBondContact OG1-N 2.91Å; F55-A57 VanDerWaalsContact C-N 3.28Å; F55-A57 PolarHBondContact O-N 2.73Å; F55-A58 WeakPolarHBondContact O-CA 3.25Å; F55-A58 VanDerWaalsContact O-CB 3.28Å; F55-A58 WeakPolarHBondContact O-CB 3.35Å; F55-A58 PolarHBondContact O-N 2.84Å; F55-D59 PolarHBondContact O-N 3.34Å; F55-P70 HydrophobicContact CD1-CB 4.02Å; F55-P70 HydrophobicContact CD1-CG 3.91Å; F55-P70 HydrophobicContact CE1-CB 4.2Å; F55-P70 HydrophobicContact CE1-CG 4.11Å
56T98.3Very high94.8Very high55 Ų5560.8 Ų60.834%0.33736%0.362SS..Hα-helixtrans-62.4-37.2174.347.20000111.9G52 T53 A58 D59 E60G52-T56 WeakPolarHBondContact CA-OG1 3.41Å; T53-T56 PolarHBondContact N-OG1 2.67Å; T53-T56 PolarHBondContact O-OG1 2.75Å; T53-T56 PolarHBondContact OG1-N 3.48Å; T53-T56 VanDerWaalsContact OG1-N 3.12Å; T53-T56 PolarHBondContact OG1-OG1 2.94Å; T53-T56 VanDerWaalsContact OG1-OG1 3.1Å; T56-A58 VanDerWaalsContact C-N 3.3Å; T56-A58 PolarHBondContact O-N 3.35Å; T56-D59 PolarHBondContact O-N 2.89Å; T56-E60 WeakPolarHBondContact O-CG 3.42Å; T56-E60 PolarHBondContact O-N 3.12Å; T56-E60 VanDerWaalsContact O-N 3.09Å
57A98.6Very high95.1Very high1 Ų161.9 Ų61.91%0.00836%0.356CS..Hα-helixtrans-65.5-32.9171.900000112.7K24 I39 T53 F55 V61K24-A57 HydrophobicContact CD-CB 4.01Å; K24-A57 HydrophobicContact CG-CB 4.33Å; I39-A57 HydrophobicContact CD1-CB 4Å; I39-A57 HydrophobicContact CG2-CB 4.39Å; T53-A57 WeakPolarHBondContact O-CB 2.96Å; T53-A57 PolarHBondContact O-N 2.72Å; T53-A57 VanDerWaalsContact O-N 3.13Å; F55-A57 VanDerWaalsContact C-N 3.28Å; F55-A57 PolarHBondContact O-N 2.73Å; A57-V61 WeakPolarHBondContact O-CG2 3.41Å; A57-V61 PolarHBondContact O-N 2.95Å
58A98.8Very high95.8Very high6 Ų658.1 Ų58.15%0.0534%0.341CS..Hα-helixtrans-66.2-46.1174.500000111.3I39 I54 F55 T56 E60 V61 E62 A68 P70I39-A58 HydrophobicContact CD1-CB 3.92Å; I54-A58 WeakPolarHBondContact O-CB 3.4Å; I54-A58 PolarHBondContact O-N 3.47Å; F55-A58 WeakPolarHBondContact O-CA 3.25Å; F55-A58 VanDerWaalsContact O-CB 3.28Å; F55-A58 WeakPolarHBondContact O-CB 3.35Å; F55-A58 PolarHBondContact O-N 2.84Å; T56-A58 VanDerWaalsContact C-N 3.3Å; T56-A58 PolarHBondContact O-N 3.35Å; A58-E60 VanDerWaalsContact C-N 3.3Å; A58-E60 PolarHBondContact O-N 2.98Å; A58-V61 WeakPolarHBondContact O-CB 2.96Å; A58-V61 PolarHBondContact O-N 3.38Å; A58-V61 VanDerWaalsContact O-N 3.12Å; A58-E62 WeakPolarHBondContact O-CG 3.49Å; A58-E62 PolarHBondContact O-N 3.1Å; A58-A68 HydrophobicContact CB-CB 3.49Å; A58-A68 VanDerWaalsContact CB-CB 3.49Å; A58-P70 HydrophobicContact CB-CB 4.26Å; A58-P70 HydrophobicContact CB-CG 4.08Å
59D98.8Very high96.6Very high100 Ų10052.8 Ų52.854%0.53531%0.306SS..Hα-helixtrans-57.7-43.4176.3-59.1-28.4000111.3F55 T56 E62 A63F55-D59 PolarHBondContact O-N 3.34Å; T56-D59 PolarHBondContact O-N 2.89Å; D59-E62 PolarHBondContact O-N 3.47Å; D59-A63 VanDerWaalsContact O-CB 3.3Å; D59-A63 WeakPolarHBondContact O-CB 3.49Å; D59-A63 PolarHBondContact O-N 3.07Å
60E98.8Very high97.3Very high73 Ų7346.8 Ų46.834%0.34128%0.283SS..Hα-helixtrans-66.1-37.9177-68.2176.6-12300112.5K24 L28 T56 A58 A64K24-E60 WeakPolarHBondContact CE-OE2 3.29Å; K24-E60 IonicContact NZ-OE1 2.7Å; K24-E60 PolarHBondContact NZ-OE1 2.84Å; K24-E60 IonicContact NZ-OE2 2.63Å; K24-E60 PolarHBondContact NZ-OE2 3.4Å; L28-E60 VanDerWaalsContact CD2-C 3.43Å; L28-E60 HydrophobicContact CD2-CB 3.73Å; L28-E60 WeakPolarHBondContact CD2-O 3.31Å; T56-E60 WeakPolarHBondContact O-CG 3.42Å; T56-E60 PolarHBondContact O-N 3.12Å; T56-E60 VanDerWaalsContact O-N 3.09Å; A58-E60 VanDerWaalsContact C-N 3.3Å; A58-E60 PolarHBondContact O-N 2.98Å; E60-A64 WeakPolarHBondContact O-CB 3.36Å; E60-A64 PolarHBondContact O-N 3.08Å
61V98.9Very high98Very high0 Ų044.9 Ų44.90%027%0.273CS..Hα-helixtrans-64.6-44.1175.2160.30000111.3A27 L28 A31 V37 I39 A57 A58 A64 G65 G66 A68A27-V61 HydrophobicContact CB-CG2 3.96Å; L28-V61 HydrophobicContact CD2-CG2 3.97Å; A31-V61 HydrophobicContact CB-CB 4.44Å; A31-V61 HydrophobicContact CB-CG1 3.94Å; A31-V61 WeakPolarHBondContact CB-O 3.2Å; V37-V61 HydrophobicContact CB-CG1 4.1Å; V37-V61 HydrophobicContact CG2-CG1 4.06Å; I39-V61 HydrophobicContact CD1-CG2 4.3Å; A57-V61 WeakPolarHBondContact O-CG2 3.41Å; A57-V61 PolarHBondContact O-N 2.95Å; A58-V61 WeakPolarHBondContact O-CB 2.96Å; A58-V61 PolarHBondContact O-N 3.38Å; A58-V61 VanDerWaalsContact O-N 3.12Å; V61-A64 PolarHBondContact O-N 2.73Å; V61-G65 PolarHBondContact O-N 3.27Å; V61-G66 PolarHBondContact O-N 2.91Å; V61-G66 VanDerWaalsContact O-N 3.08Å; V61-A68 HydrophobicContact CB-CB 4.11Å; V61-A68 HydrophobicContact CG1-CB 3.84Å
62E98.8Very high98.4Very high107 Ų10744.8 Ų44.850%0.527%0.271SS..Hα-helixtrans-66.7-41.9177.8-69.6-179.1174.300111.3A58 D59 A64 G65 A68A58-E62 WeakPolarHBondContact O-CG 3.49Å; A58-E62 PolarHBondContact O-N 3.1Å; D59-E62 PolarHBondContact O-N 3.47Å; E62-A64 PolarHBondContact O-N 3.28Å; E62-G65 PolarHBondContact O-N 3.33Å; E62-A68 HydrophobicContact CG-CB 4.02Å
63A98.8Very high98.7Very high91 Ų9143.5 Ų43.575%0.75226%0.258SS*.Hα-helixtrans-62.1-30.4174.500000112.9D59 G65D59-A63 VanDerWaalsContact O-CB 3.3Å; D59-A63 WeakPolarHBondContact O-CB 3.49Å; D59-A63 PolarHBondContact O-N 3.07Å; A63-G65 PolarHBondContact O-N 2.91Å
64A98.5Very high98.7Very high29 Ų2944.2 Ų44.224%0.2426%0.261CS..THydrogen-bonded Turntrans-76.7-5.4174.700000113.8L28 A31 Q32 E60 V61 E62L28-A64 HydrophobicContact CD2-CB 4.28Å; A31-A64 HydrophobicContact CB-CB 3.86Å; Q32-A64 WeakPolarHBondContact CA-O 3.38Å; Q32-A64 HydrophobicContact CG-CB 4.35Å; E60-A64 WeakPolarHBondContact O-CB 3.36Å; E60-A64 PolarHBondContact O-N 3.08Å; V61-A64 PolarHBondContact O-N 2.73Å; E62-A64 PolarHBondContact O-N 3.28Å
65G98.6Very high98.7Very high51 Ų5144.6 Ų44.653%0.52626%0.263SS..THydrogen-bonded Turntrans102.12177.200000115.2A31 G34 V61 E62 A63A31-G65 CarbonylContact O-C 3.55Å; A31-G65 VanDerWaalsContact O-C 3.26Å; G34-G65 WeakPolarHBondContact CA-O 3.5Å; V61-G65 PolarHBondContact O-N 3.27Å; E62-G65 PolarHBondContact O-N 3.33Å; A63-G65 PolarHBondContact O-N 2.91Å
66G98.8Very high98.6Very high10 Ų1044.9 Ų44.910%0.10326%0.261CS..  trans-89.1-173.3176.700000113.3A31 A35 V61A31-G66 PolarHBondContact O-N 3.08Å; A31-G66 VanDerWaalsContact O-N 3.14Å; A35-G66 CarbonylContact O-C 3.52Å; A35-G66 WeakPolarHBondContact O-CA 3.5Å; V61-G66 PolarHBondContact O-N 2.91Å; V61-G66 VanDerWaalsContact O-N 3.08Å
67K98.9Very high98.6Very high130 Ų13045 Ų4557%0.56526%0.26SS*.EExtended strand (participates in β ladder)trans-117.4134.2167.6-58.4-173.8-170.1170.50109.5A35 N36 V37 F92A35-K67 PolarHBondContact O-N 3.3Å; N36-K67 CarbonylContact C-O 3.58Å; N36-K67 WeakPolarHBondContact CA-O 3.37Å; N36-K67 WeakPolarHBondContact OD1-CD 3.27Å; V37-K67 PolarHBondContact N-O 3.01Å; K67-F92 HydrophobicContact CB-CE1 3.97Å; K67-F92 HydrophobicContact CB-CZ 4.25Å; K67-F92 HydrophobicContact CD-CE1 4.34Å
68A98.9Very high98.6Very high14 Ų1448.9 Ų48.912%0.11628%0.278CS..EExtended strand (participates in β ladder)trans-107.5144.6-178.100000112.5V37 I39 A58 V61 E62V37-A68 CarbonylContact O-C 3.52Å; V37-A68 WeakPolarHBondContact O-CA 3.45Å; I39-A68 HydrophobicContact CD1-CB 4.3Å; A58-A68 HydrophobicContact CB-CB 3.49Å; A58-A68 VanDerWaalsContact CB-CB 3.49Å; V61-A68 HydrophobicContact CB-CB 4.11Å; V61-A68 HydrophobicContact CG1-CB 3.84Å; E62-A68 HydrophobicContact CG-CB 4.02Å
69L98.9Very high98.6Very high14 Ų1456.4 Ų56.47%0.07331%0.312CS..EExtended strand (participates in β ladder)trans-128.893.6166.5-178.463.8000109V37 V38 I39 C71 K87 A88 F92V37-L69 PolarHBondContact O-N 3.38Å; V38-L69 WeakPolarHBondContact CA-O 3.5Å; V38-L69 HydrophobicContact CG1-CD2 4.29Å; V38-L69 HydrophobicContact CG2-CB 4.45Å; V38-L69 HydrophobicContact CG2-CD2 4.28Å; I39-L69 PolarHBondContact N-O 3.39Å; L69-C71 PolarHBondContact O-N 3.08Å; L69-K87 HydrophobicContact CD1-CD 4.07Å; L69-K87 HydrophobicContact CD1-CG 4.35Å; L69-K87 HydrophobicContact CD2-CB 4.44Å; L69-K87 HydrophobicContact CD2-CD 4.42Å; L69-K87 HydrophobicContact CD2-CG 4.12Å; L69-A88 HydrophobicContact CD2-CB 4.25Å; L69-F92 HydrophobicContact CB-CE2 3.61Å; L69-F92 HydrophobicContact CB-CZ 3.95Å; L69-F92 HydrophobicContact CD2-CE2 4.15Å
70P98.8Very high98.6Very high32 Ų3254.7 Ų54.721%0.20830%0.301CS..EExtended strand (participates in β ladder)trans-71.9124.7175.727.7-32.2000110.9I54 F55 A58I54-P70 HydrophobicContact CB-CB 3.94Å; I54-P70 HydrophobicContact CD1-CB 4.02Å; I54-P70 HydrophobicContact CG1-CB 3.93Å; F55-P70 HydrophobicContact CD1-CB 4.02Å; F55-P70 HydrophobicContact CD1-CG 3.91Å; F55-P70 HydrophobicContact CE1-CB 4.2Å; F55-P70 HydrophobicContact CE1-CG 4.11Å; A58-P70 HydrophobicContact CB-CB 4.26Å; A58-P70 HydrophobicContact CB-CG 4.08Å
71C98.8Very high98.6Very high9 Ų951.2 Ų51.26%0.06129%0.285CS..EExtended strand (participates in β ladder)trans-126.4123.6178.7-69.30000110.1I39 A41 L69 V73 A84I39-C71 PolarHBondContact O-N 2.76Å; I39-C71 VanDerWaalsContact O-O 3.1Å; A41-C71 PolarHBondContact N-O 3.27Å; A41-C71 VanDerWaalsContact O-O 3.13Å; L69-C71 PolarHBondContact O-N 3.08Å; C71-V73 HydrophobicContact CB-CG2 3.81Å; C71-V73 PolarHBondContact O-N 2.91Å; C71-V73 VanDerWaalsContact O-N 3.14Å; C71-A84 HydrophobicContact CB-CB 3.88Å
72V98.6Very high98.6Very high82 Ų8252.5 Ų52.550%0.49730%0.297SS..EExtended strand (participates in β ladder)trans-70.9108170.6-175.40000108.1A41 A44 I54A41-V72 WeakPolarHBondContact O-CA 3.39Å; A44-V72 HydrophobicContact CB-CG2 3.89Å; I54-V72 HydrophobicContact CD1-CB 4.46Å; I54-V72 HydrophobicContact CD1-CG2 3.58Å
73V98.6Very high98.6Very high2 Ų250 Ų501%0.01230%0.296CS..  trans-137.9119.7-176.1-177.20000110.8A40 A41 K42 C71 I75 Q80 I81 A84A40-V73 HydrophobicContact CB-CB 4.09Å; A40-V73 HydrophobicContact CB-CG1 4.5Å; A40-V73 HydrophobicContact CB-CG2 3.97Å; A41-V73 CarbonylContact C-O 3.49Å; A41-V73 VanDerWaalsContact C-O 3.28Å; A41-V73 PolarHBondContact O-N 3.44Å; K42-V73 VanDerWaalsContact CG-O 3.23Å; K42-V73 WeakPolarHBondContact CG-O 3.41Å; K42-V73 PolarHBondContact N-O 3.03Å; C71-V73 HydrophobicContact CB-CG2 3.81Å; C71-V73 PolarHBondContact O-N 2.91Å; C71-V73 VanDerWaalsContact O-N 3.14Å; V73-I75 HydrophobicContact CG1-CG2 3.99Å; V73-Q80 HydrophobicContact CG1-CB 4.4Å; V73-I81 HydrophobicContact CG1-CG1 3.98Å; V73-A84 HydrophobicContact CG2-CB 3.54Å
74D98.3Very high98.6Very high24 Ų2446 Ų4613%0.12826%0.262CS..  trans-91.1111.5155.6-166.5-30.8000109.4K42 R76 D77K42-D74 HydrophobicContact CD-CB 3.83Å; K42-D74 WeakPolarHBondContact CD-OD2 3.33Å; K42-D74 HydrophobicContact CG-CB 4Å; D74-R76 PolarHBondContact O-N 3.42Å; D74-R76 WeakPolarHBondContact OD1-CB 3.27Å; D74-R76 WeakPolarHBondContact OD1-CG 3.14Å; D74-R76 IonicContact OD1-CZ 3.84Å; D74-R76 PolarHBondContact OD1-N 2.77Å; D74-R76 VanDerWaalsContact OD1-N 3.09Å; D74-R76 IonicContact OD1-NE 3.81Å; D74-R76 PolarHBondContact OD1-NE 3.09Å; D74-R76 IonicContact OD1-NH2 2.73Å; D74-R76 IonicContact OD2-CZ 2.66Å; D74-R76 IonicContact OD2-NE 3.36Å; D74-R76 PolarHBondContact OD2-NE 2.9Å; D74-R76 IonicContact OD2-NH2 2.75Å; D74-R76 PolarHBondContact OD2-NH2 2.52Å; D74-D77 WeakPolarHBondContact O-CB 3.36Å; D74-D77 PolarHBondContact O-N 2.79Å
75I98.1Very high98.6Very high9 Ų944.9 Ų44.95%0.04625%0.252CS..THydrogen-bonded Turntrans-68.41.4-176.566164.8000114.4T16 V73 D77 I81 A102 I124 G128T16-I75 HydrophobicContact CG2-CG2 3.94Å; V73-I75 HydrophobicContact CG1-CG2 3.99Å; I75-D77 VanDerWaalsContact C-N 3.34Å; I75-I81 HydrophobicContact CB-CD1 4.28Å; I75-I81 WeakPolarHBondContact O-CD1 3.31Å; I75-A102 HydrophobicContact CD1-CB 3.62Å; I75-A102 HydrophobicContact CG1-CB 4.43Å; I75-I124 HydrophobicContact CD1-CG2 3.89Å; I75-I124 VanDerWaalsContact CD1-O 3.27Å; I75-I124 WeakPolarHBondContact CD1-O 3.35Å; I75-I124 HydrophobicContact CG1-CG2 4.26Å; I75-G128 WeakPolarHBondContact O-CA 3.38Å
76R97.9Very high98.7Very high104 Ų10448 Ų4839%0.39225%0.253SS..THydrogen-bonded Turntrans-81.5-18.8167.9-60.6175.5-67.2165.17111.9D74 I124 R127D74-R76 PolarHBondContact O-N 3.42Å; D74-R76 WeakPolarHBondContact OD1-CB 3.27Å; D74-R76 WeakPolarHBondContact OD1-CG 3.14Å; D74-R76 IonicContact OD1-CZ 3.84Å; D74-R76 PolarHBondContact OD1-N 2.77Å; D74-R76 VanDerWaalsContact OD1-N 3.09Å; D74-R76 IonicContact OD1-NE 3.81Å; D74-R76 PolarHBondContact OD1-NE 3.09Å; D74-R76 IonicContact OD1-NH2 2.73Å; D74-R76 IonicContact OD2-CZ 2.66Å; D74-R76 IonicContact OD2-NE 3.36Å; D74-R76 PolarHBondContact OD2-NE 2.9Å; D74-R76 IonicContact OD2-NH2 2.75Å; D74-R76 PolarHBondContact OD2-NH2 2.52Å; R76-I124 HydrophobicContact CG-CG1 3.84Å; R76-R127 PolarHBondContact O-NH1 2.82Å
77D98.5Very high98.7Very high57 Ų5752.1 Ų52.131%0.30527%0.268SS..  trans-101114.6-177.8-172.8-26.2000110.8D74 I75 Q79 Q80 I81D74-D77 WeakPolarHBondContact O-CB 3.36Å; D74-D77 PolarHBondContact O-N 2.79Å; I75-D77 VanDerWaalsContact C-N 3.34Å; D77-Q79 VanDerWaalsContact C-N 3.31Å; D77-Q79 PolarHBondContact O-N 2.89Å; D77-Q79 WeakPolarHBondContact OD1-CB 3.43Å; D77-Q79 PolarHBondContact OD1-N 3.08Å; D77-Q80 HydrophobicContact CB-CB 4.09Å; D77-Q80 HydrophobicContact CB-CG 4.01Å; D77-Q80 PolarHBondContact O-N 3.43Å; D77-Q80 PolarHBondContact OD1-N 3Å; D77-Q80 PolarHBondContact OD2-NE2 3.14Å; D77-I81 WeakPolarHBondContact O-CG1 3.38Å; D77-I81 PolarHBondContact O-N 3.07Å
78E98.6Very high98.7Very high83 Ų8346 Ų4639%0.38824%0.241SC..Hα-helixtrans-62.3-36.7179.9-176162.3-158.200112.6I81 G82 L131 K134 L135E78-I81 PolarHBondContact O-N 3.37Å; E78-G82 PolarHBondContact O-N 3.33Å; E78-L131 HydrophobicContact CB-CD1 4.39Å; E78-L131 HydrophobicContact CB-CD2 3.85Å; E78-L131 HydrophobicContact CG-CD1 3.92Å; E78-L131 HydrophobicContact CG-CD2 4.29Å; E78-K134 IonicContact OE1-NZ 3.88Å; E78-L135 HydrophobicContact CG-CD1 4.26Å
79Q98.6Very high98.6Very high163 Ų16347.2 Ų47.276%0.76225%0.248SC*.Hα-helixtrans-70.4-40.4-177.5-62.1-178.21.800110.7D77 G82 A83D77-Q79 VanDerWaalsContact C-N 3.31Å; D77-Q79 PolarHBondContact O-N 2.89Å; D77-Q79 WeakPolarHBondContact OD1-CB 3.43Å; D77-Q79 PolarHBondContact OD1-N 3.08Å; Q79-G82 PolarHBondContact O-N 2.9Å; Q79-A83 WeakPolarHBondContact O-CB 3.45Å; Q79-A83 PolarHBondContact O-N 3.17Å
80Q98.8Very high98.6Very high65 Ų6553 Ų5330%0.30427%0.274SS..Hα-helixtrans-65.4-40.8176.9-69.2-179.945.700112V73 D77 A84V73-Q80 HydrophobicContact CG1-CB 4.4Å; D77-Q80 HydrophobicContact CB-CB 4.09Å; D77-Q80 HydrophobicContact CB-CG 4.01Å; D77-Q80 PolarHBondContact O-N 3.43Å; D77-Q80 PolarHBondContact OD1-N 3Å; D77-Q80 PolarHBondContact OD2-NE2 3.14Å; Q80-A84 WeakPolarHBondContact O-CB 3.38Å; Q80-A84 PolarHBondContact O-N 3.19Å; Q80-A84 VanDerWaalsContact O-N 3.09Å
81I98.8Very high98.6Very high0 Ų055 Ų550%029%0.286CS..Hα-helixtrans-63.2-49.2174.1-60.6162.3000109.8V73 I75 D77 E78 A83 A84 V85 L131 T132 L135V73-I81 HydrophobicContact CG1-CG1 3.98Å; I75-I81 HydrophobicContact CB-CD1 4.28Å; I75-I81 WeakPolarHBondContact O-CD1 3.31Å; D77-I81 WeakPolarHBondContact O-CG1 3.38Å; D77-I81 PolarHBondContact O-N 3.07Å; E78-I81 PolarHBondContact O-N 3.37Å; I81-A83 VanDerWaalsContact C-N 3.34Å; I81-A83 PolarHBondContact O-N 3.09Å; I81-A84 PolarHBondContact O-N 2.91Å; I81-A84 VanDerWaalsContact O-N 3.17Å; I81-V85 HydrophobicContact CG2-CG2 4.2Å; I81-V85 WeakPolarHBondContact O-CG2 3.5Å; I81-V85 PolarHBondContact O-N 3.28Å; I81-L131 HydrophobicContact CD1-CB 4.39Å; I81-L131 HydrophobicContact CD1-CD2 3.76Å; I81-L131 HydrophobicContact CD1-CG 3.85Å; I81-T132 HydrophobicContact CG2-CG2 4.16Å; I81-L135 HydrophobicContact CB-CD1 3.78Å; I81-L135 HydrophobicContact CG2-CB 4.29Å; I81-L135 HydrophobicContact CG2-CD1 3.54Å
82G98.8Very high98.6Very high26 Ų2656.6 Ų56.627%0.26829%0.292SS..Hα-helixtrans-57.5-45.1-179.900000112.8E78 Q79 A84 V85 Q86E78-G82 PolarHBondContact O-N 3.33Å; Q79-G82 PolarHBondContact O-N 2.9Å; G82-A84 PolarHBondContact O-N 2.88Å; G82-V85 PolarHBondContact O-N 2.93Å; G82-Q86 WeakPolarHBondContact O-CB 3.41Å; G82-Q86 PolarHBondContact O-N 3.48Å
83A98.8Very high98.6Very high56 Ų5655.9 Ų55.946%0.46330%0.301SS..Hα-helixtrans-62.5-41.4176.500000112.4Q79 I81 Q86 K87Q79-A83 WeakPolarHBondContact O-CB 3.45Å; Q79-A83 PolarHBondContact O-N 3.17Å; I81-A83 VanDerWaalsContact C-N 3.34Å; I81-A83 PolarHBondContact O-N 3.09Å; A83-Q86 PolarHBondContact O-N 3.48Å; A83-K87 WeakPolarHBondContact O-CB 3.31Å; A83-K87 PolarHBondContact O-N 3.11Å
84A98.9Very high98.6Very high5 Ų556.8 Ų56.84%0.04131%0.311CS..Hα-helixtrans-67.7-38.8176.900000112.5F14 C71 V73 Q80 I81 G82 K87 A88F14-A84 HydrophobicContact CE2-CB 4.01Å; F14-A84 HydrophobicContact CZ-CB 3.99Å; C71-A84 HydrophobicContact CB-CB 3.88Å; V73-A84 HydrophobicContact CG2-CB 3.54Å; Q80-A84 WeakPolarHBondContact O-CB 3.38Å; Q80-A84 PolarHBondContact O-N 3.19Å; Q80-A84 VanDerWaalsContact O-N 3.09Å; I81-A84 PolarHBondContact O-N 2.91Å; I81-A84 VanDerWaalsContact O-N 3.17Å; G82-A84 PolarHBondContact O-N 2.88Å; A84-K87 PolarHBondContact O-N 2.75Å; A84-A88 WeakPolarHBondContact O-CB 3.5Å; A84-A88 PolarHBondContact O-N 3.49Å
85V98.9Very high98.6Very high6 Ų655.7 Ų55.74%0.03631%0.305CS..Hα-helixtrans-63.3-47.2174.61690000110.5F14 I81 G82 K87 A88 V89 I95 L135 V136F14-V85 HydrophobicContact CD2-CG2 4.39Å; F14-V85 HydrophobicContact CE2-CG2 3.84Å; F14-V85 HydrophobicContact CZ-CG2 4.12Å; I81-V85 HydrophobicContact CG2-CG2 4.2Å; I81-V85 WeakPolarHBondContact O-CG2 3.5Å; I81-V85 PolarHBondContact O-N 3.28Å; G82-V85 PolarHBondContact O-N 2.93Å; V85-K87 PolarHBondContact O-N 3.38Å; V85-A88 WeakPolarHBondContact O-CB 3.35Å; V85-A88 PolarHBondContact O-N 3.46Å; V85-V89 VanDerWaalsContact O-CG2 3.31Å; V85-V89 WeakPolarHBondContact O-CG2 3.45Å; V85-V89 PolarHBondContact O-N 3.08Å; V85-I95 HydrophobicContact CB-CD1 4.48Å; V85-I95 HydrophobicContact CG1-CD1 3.95Å; V85-I95 HydrophobicContact CG2-CD1 4.41Å; V85-L135 HydrophobicContact CG2-CB 4.47Å; V85-V136 HydrophobicContact CG2-CG2 3.66Å
86Q98.8Very high98.7Very high117 Ų11756.6 Ų56.655%0.54731%0.31SS..Hα-helixtrans-59.3-48.7176.6179.2174.61.200111.3G82 A83 A88 V89 E90G82-Q86 WeakPolarHBondContact O-CB 3.41Å; G82-Q86 PolarHBondContact O-N 3.48Å; A83-Q86 PolarHBondContact O-N 3.48Å; Q86-A88 VanDerWaalsContact C-N 3.28Å; Q86-A88 PolarHBondContact O-N 3.47Å; Q86-V89 PolarHBondContact O-N 2.85Å; Q86-V89 VanDerWaalsContact O-N 3.13Å; Q86-E90 HydrophobicContact CG-CG 4.4Å; Q86-E90 VanDerWaalsContact CG-OE1 3.25Å; Q86-E90 WeakPolarHBondContact CG-OE1 3.39Å; Q86-E90 PolarHBondContact NE2-OE1 2.68Å; Q86-E90 WeakPolarHBondContact O-CG 3.35Å; Q86-E90 PolarHBondContact O-N 3.29Å
87K98.8Very high98.7Very high97 Ų9751.7 Ų51.742%0.42229%0.291SS..Hα-helixtrans-59.4-39.1178.1-164.4-177-174.2-1710112.1L69 A83 A84 V85 E90 T91L69-K87 HydrophobicContact CD1-CD 4.07Å; L69-K87 HydrophobicContact CD1-CG 4.35Å; L69-K87 HydrophobicContact CD2-CB 4.44Å; L69-K87 HydrophobicContact CD2-CD 4.42Å; L69-K87 HydrophobicContact CD2-CG 4.12Å; A83-K87 WeakPolarHBondContact O-CB 3.31Å; A83-K87 PolarHBondContact O-N 3.11Å; A84-K87 PolarHBondContact O-N 2.75Å; V85-K87 PolarHBondContact O-N 3.38Å; K87-E90 PolarHBondContact O-N 2.77Å; K87-T91 VanDerWaalsContact O-CB 3.28Å; K87-T91 WeakPolarHBondContact O-CB 3.39Å; K87-T91 PolarHBondContact O-N 3.42Å; K87-T91 PolarHBondContact O-OG1 3.2Å
88A98.8Very high98.7Very high0 Ų049 Ų490%028%0.277CS..Hα-helixtrans-62-44.5175.800000112.2F14 V38 L69 A84 V85 Q86 T91 F92 I95F14-A88 HydrophobicContact CD2-CB 4.48Å; V38-A88 HydrophobicContact CG1-CB 4.4Å; V38-A88 HydrophobicContact CG2-CB 3.51Å; L69-A88 HydrophobicContact CD2-CB 4.25Å; A84-A88 WeakPolarHBondContact O-CB 3.5Å; A84-A88 PolarHBondContact O-N 3.49Å; V85-A88 WeakPolarHBondContact O-CB 3.35Å; V85-A88 PolarHBondContact O-N 3.46Å; Q86-A88 VanDerWaalsContact C-N 3.28Å; Q86-A88 PolarHBondContact O-N 3.47Å; A88-T91 PolarHBondContact O-N 3.12Å; A88-F92 PolarHBondContact O-N 3.1Å; A88-I95 HydrophobicContact CB-CD1 4.21Å; A88-I95 HydrophobicContact CB-CG1 4.26Å
89V98.6Very high98.8Very high41 Ų4145 Ų4525%0.24826%0.258CS..Hα-helixtrans-67.2-40.9178.9174.40000111.3V85 Q86 T91 G93 I95 H139V85-V89 VanDerWaalsContact O-CG2 3.31Å; V85-V89 WeakPolarHBondContact O-CG2 3.45Å; V85-V89 PolarHBondContact O-N 3.08Å; Q86-V89 PolarHBondContact O-N 2.85Å; Q86-V89 VanDerWaalsContact O-N 3.13Å; V89-T91 VanDerWaalsContact C-N 3.32Å; V89-T91 PolarHBondContact O-N 3.45Å; V89-G93 WeakPolarHBondContact O-CA 3.5Å; V89-G93 PolarHBondContact O-N 3.43Å; V89-I95 HydrophobicContact CG2-CD1 4.47Å; V89-I95 HydrophobicContact CG2-CG1 4.37Å; V89-H139 VanDerWaalsContact CG2-CE1 3.5Å; V89-H139 WeakPolarHBondContact CG2-CE1 3.21Å; V89-H139 WeakPolarHBondContact CG2-ND1 3.5Å
90E98.8Very high98.8Very high136 Ų13637.2 Ų37.264%0.63622%0.222SC*.Hα-helixtrans-64.2-37.7175.1-71.7169.7-178.100112Q86 K87Q86-E90 HydrophobicContact CG-CG 4.4Å; Q86-E90 VanDerWaalsContact CG-OE1 3.25Å; Q86-E90 WeakPolarHBondContact CG-OE1 3.39Å; Q86-E90 PolarHBondContact NE2-OE1 2.68Å; Q86-E90 WeakPolarHBondContact O-CG 3.35Å; Q86-E90 PolarHBondContact O-N 3.29Å; K87-E90 PolarHBondContact O-N 2.77Å
91T98.8Very high98.8Very high73 Ų7335.3 Ų35.345%0.44821%0.214SC..Hα-helixtrans-80.5-43.5-176-53.30000112.6K87 A88 V89K87-T91 VanDerWaalsContact O-CB 3.28Å; K87-T91 WeakPolarHBondContact O-CB 3.39Å; K87-T91 PolarHBondContact O-N 3.42Å; K87-T91 PolarHBondContact O-OG1 3.2Å; A88-T91 PolarHBondContact O-N 3.12Å; V89-T91 VanDerWaalsContact C-N 3.32Å; V89-T91 PolarHBondContact O-N 3.45Å
92F98.7Very high98.7Very high42 Ų4236 Ų3618%0.18422%0.22CC..Hα-helixtrans-116.9-2-169.7-58.2-53.4000114.1T12 N36 V38 K67 L69 A88 G94T12-F92 HydrophobicContact CG2-CB 3.97Å; T12-F92 HydrophobicContact CG2-CD2 3.7Å; T12-F92 HydrophobicContact CG2-CG 4.18Å; T12-F92 WeakPolarHBondContact OG1-CB 3.37Å; N36-F92 HydrophobicContact CB-CB 4.43Å; N36-F92 HydrophobicContact CB-CD1 3.68Å; N36-F92 HydrophobicContact CB-CD2 3.82Å; N36-F92 HydrophobicContact CB-CE1 3.76Å; N36-F92 HydrophobicContact CB-CE2 3.87Å; N36-F92 HydrophobicContact CB-CG 3.72Å; N36-F92 HydrophobicContact CB-CZ 3.85Å; V38-F92 HydrophobicContact CG2-CD2 4.31Å; V38-F92 HydrophobicContact CG2-CE2 4.22Å; K67-F92 HydrophobicContact CB-CE1 3.97Å; K67-F92 HydrophobicContact CB-CZ 4.25Å; K67-F92 HydrophobicContact CD-CE1 4.34Å; L69-F92 HydrophobicContact CB-CE2 3.61Å; L69-F92 HydrophobicContact CB-CZ 3.95Å; L69-F92 HydrophobicContact CD2-CE2 4.15Å; A88-F92 PolarHBondContact O-N 3.1Å; F92-G94 VanDerWaalsContact C-N 3.28Å; F92-G94 PolarHBondContact O-N 3.36Å
93G98.3Very high98.6Very high68 Ų6837.4 Ų37.470%0.70123%0.225SC*.SBendtrans82.9-6.7177.200000115.1V89V89-G93 WeakPolarHBondContact O-CA 3.5Å; V89-G93 PolarHBondContact O-N 3.43Å
94G98.4Very high98.4Very high20 Ų2035.4 Ų35.421%0.20621%0.209CC..  trans174.1-176.1-179.500000113.3T12 F92T12-G94 WeakPolarHBondContact CB-O 3.42Å; T12-G94 WeakPolarHBondContact CG2-O 3.28Å; F92-G94 VanDerWaalsContact C-N 3.28Å; F92-G94 PolarHBondContact O-N 3.36Å
95I98.9Very high98Very high1 Ų137.8 Ų37.81%0.00522%0.221CC..  trans-132.6128.7172.2-57.8173.5000106.9F14 V85 A88 V89 V136 H139 L140F14-I95 HydrophobicContact CB-CD1 4.48Å; F14-I95 HydrophobicContact CB-CG2 3.94Å; F14-I95 HydrophobicContact CD2-CD1 4.05Å; V85-I95 HydrophobicContact CB-CD1 4.48Å; V85-I95 HydrophobicContact CG1-CD1 3.95Å; V85-I95 HydrophobicContact CG2-CD1 4.41Å; A88-I95 HydrophobicContact CB-CD1 4.21Å; A88-I95 HydrophobicContact CB-CG1 4.26Å; V89-I95 HydrophobicContact CG2-CD1 4.47Å; V89-I95 HydrophobicContact CG2-CG1 4.37Å; I95-V136 HydrophobicContact CB-CG1 4.28Å; I95-V136 HydrophobicContact CD1-CG1 4.19Å; I95-V136 HydrophobicContact CD1-CG2 4.28Å; I95-V136 HydrophobicContact CG2-CG1 3.69Å; I95-H139 HydrophobicContact CB-CB 4.12Å; I95-H139 HydrophobicContact CG1-CB 4.46Å; I95-L140 HydrophobicContact CG2-CD2 4.25Å
96D98.9Very high97.6Very high29 Ų2938.4 Ų38.416%0.15523%0.225CC..  trans-102.5-34.8-180-59.3-71.4000111.7C11 T12 L140 S143 R145 P146 H147C11-D96 WeakPolarHBondContact CA-OD2 3.42Å; C11-D96 HydrophobicContact CB-CB 4.21Å; T12-D96 PolarHBondContact N-OD2 3.4Å; T12-D96 PolarHBondContact O-N 2.95Å; D96-L140 WeakPolarHBondContact O-CD2 3.06Å; D96-S143 VanDerWaalsContact CA-OG 3.31Å; D96-S143 WeakPolarHBondContact CA-OG 3.46Å; D96-S143 WeakPolarHBondContact CB-OG 3.28Å; D96-S143 WeakPolarHBondContact OD1-CB 3.48Å; D96-S143 PolarHBondContact OD1-OG 3.12Å; D96-R145 CarbonylContact C-O 3.59Å; D96-R145 CarbonylContact O-C 3.58Å; D96-P146 VanDerWaalsContact O-CA 3.27Å; D96-P146 WeakPolarHBondContact O-CA 3.47Å; D96-H147 PolarHBondContact O-N 2.93Å
97I98.9Very high97.1Very high0 Ų035.9 Ų35.90%022%0.215CC..EExtended strand (participates in β ladder)trans-136132-171.7-62.7169.2000109.2L8 T12 L13 F14 V99 H147 L232L8-I97 HydrophobicContact CD2-CD1 3.85Å; T12-I97 PolarHBondContact O-N 2.93Å; T12-I97 VanDerWaalsContact O-N 3.09Å; L13-I97 CarbonylContact C-O 3.49Å; L13-I97 WeakPolarHBondContact CA-O 3.38Å; L13-I97 HydrophobicContact CD1-CD1 4.27Å; L13-I97 HydrophobicContact CD2-CG2 4.41Å; L13-I97 HydrophobicContact CG-CB 3.97Å; L13-I97 HydrophobicContact CG-CD1 4.07Å; L13-I97 HydrophobicContact CG-CG2 4.16Å; F14-I97 PolarHBondContact N-O 3.12Å; I97-V99 HydrophobicContact CG2-CG2 3.93Å; I97-H147 CarbonylContact C-O 3.52Å; I97-H147 WeakPolarHBondContact CA-O 3.27Å; I97-H147 HydrophobicContact CG1-CB 4.24Å; I97-H147 HydrophobicContact CG2-CB 4.4Å; I97-L232 HydrophobicContact CD1-CB 4.22Å; I97-L232 HydrophobicContact CD1-CD1 4.43Å; I97-L232 HydrophobicContact CD1-CD2 4.29Å; I97-L232 HydrophobicContact CG1-CD2 4.42Å; I97-L232 HydrophobicContact CG2-CD1 4.01Å; I97-L232 HydrophobicContact CG2-CD2 3.48Å; I97-L232 VanDerWaalsContact CG2-CD2 3.48Å; I97-L232 HydrophobicContact CG2-CG 4.34Å
98L98.9Very high96.4Very high0 Ų033.2 Ų33.20%021%0.207CC..EExtended strand (participates in β ladder)trans-106.4129.7165.2172.159.7000109.6F14 N100 T132 S133 V136 H147 I148 L149F14-L98 HydrophobicContact CB-CD1 4.42Å; F14-L98 HydrophobicContact CD1-CD1 3.85Å; F14-L98 WeakPolarHBondContact O-CA 3.37Å; F14-L98 WeakPolarHBondContact O-CD1 3.49Å; L98-N100 WeakPolarHBondContact CD2-ND2 3.49Å; L98-T132 HydrophobicContact CD1-CG2 3.66Å; L98-T132 HydrophobicContact CD2-CG2 4.24Å; L98-S133 VanDerWaalsContact CD2-CA 3.47Å; L98-S133 WeakPolarHBondContact CD2-OG 3.34Å; L98-V136 HydrophobicContact CB-CG1 4.03Å; L98-V136 HydrophobicContact CD1-CG2 4.46Å; L98-V136 HydrophobicContact CD2-CB 4.18Å; L98-V136 HydrophobicContact CD2-CG1 4.43Å; L98-V136 HydrophobicContact CD2-CG2 4.46Å; L98-H147 PolarHBondContact N-O 2.88Å; L98-I148 HydrophobicContact CB-CG1 4.26Å; L98-I148 HydrophobicContact CD2-CG1 4.44Å; L98-I148 HydrophobicContact CD2-CG2 4.28Å; L98-I148 HydrophobicContact CG-CG2 4.48Å; L98-I148 CarbonylContact O-C 3.55Å; L98-I148 WeakPolarHBondContact O-CA 3.13Å; L98-L149 PolarHBondContact O-N 3.4Å
99V98.9Very high95.8Very high0 Ų034.2 Ų34.20%022%0.217CC..EExtended strand (participates in β ladder)trans-115.7106.9169.9-176.80000109F14 I15 T16 I26 I97 N101 L149 L151 L232F14-V99 PolarHBondContact O-N 2.83Å; I15-V99 HydrophobicContact CB-CB 4.33Å; I15-V99 HydrophobicContact CG1-CB 4.03Å; I15-V99 HydrophobicContact CG1-CG2 4.14Å; I15-V99 HydrophobicContact CG2-CB 4.03Å; I15-V99 HydrophobicContact CG2-CG1 4.2Å; T16-V99 PolarHBondContact N-O 3.12Å; T16-V99 PolarHBondContact OG1-O 3.25Å; I26-V99 HydrophobicContact CD1-CG1 4.15Å; I26-V99 HydrophobicContact CG2-CG2 4.42Å; I97-V99 HydrophobicContact CG2-CG2 3.93Å; V99-N101 HydrophobicContact CG1-CB 4.16Å; V99-N101 PolarHBondContact O-N 2.95Å; V99-N101 VanDerWaalsContact O-N 3.17Å; V99-L149 CarbonylContact C-O 3.51Å; V99-L149 WeakPolarHBondContact CA-O 3.29Å; V99-L151 HydrophobicContact CG1-CD2 3.32Å; V99-L232 HydrophobicContact CG2-CD1 4.37Å
100N98.9Very high95.3Very high0 Ų037.5 Ų37.50%024%0.237CC..EExtended strand (participates in β ladder)trans-84.185.6174.9-72.1-54.2000109.8L98 T129 S133 L149 N150 L151L98-N100 WeakPolarHBondContact CD2-ND2 3.49Å; N100-T129 HydrophobicContact CB-CG2 4.05Å; N100-S133 PolarHBondContact ND2-OG 3.36Å; N100-S133 VanDerWaalsContact ND2-OG 3.12Å; N100-L149 PolarHBondContact N-O 3.41Å; N100-N150 WeakPolarHBondContact CB-OD1 3.37Å; N100-N150 PolarHBondContact ND2-OD1 2.98Å; N100-L151 PolarHBondContact O-N 3.27Å
101N98.8Very high94.9Very high24 Ų2438.8 Ų38.813%0.12825%0.248CC..  trans-104.5-30.1-177.5155.989.7000113.4T16 G17 G23 V99 S103 L151T16-N101 VanDerWaalsContact O-CB 3.27Å; T16-N101 WeakPolarHBondContact O-CB 3.42Å; T16-N101 PolarHBondContact O-ND2 2.88Å; T16-N101 PolarHBondContact OG1-N 3.41Å; T16-N101 VanDerWaalsContact OG1-N 3.07Å; G17-N101 PolarHBondContact O-ND2 3.41Å; G23-N101 WeakPolarHBondContact CA-ND2 3.4Å; G23-N101 PolarHBondContact N-OD1 2.84Å; V99-N101 HydrophobicContact CG1-CB 4.16Å; V99-N101 PolarHBondContact O-N 2.95Å; V99-N101 VanDerWaalsContact O-N 3.17Å; N101-S103 PolarHBondContact O-N 3.24Å; N101-L151 HydrophobicContact CB-CD2 3.77Å; N101-L151 HydrophobicContact CB-CG 4Å
102A97.5Very high94.4Very high16 Ų1641 Ų4113%0.13225%0.253CS..  trans-57132.1-178.400000111.4T16 I75 I124T16-A102 PolarHBondContact O-N 2.98Å; T16-A102 VanDerWaalsContact O-N 3.13Å; T16-A102 PolarHBondContact OG1-N 3.38Å; T16-A102 VanDerWaalsContact OG1-N 3.11Å; I75-A102 HydrophobicContact CD1-CB 3.62Å; I75-A102 HydrophobicContact CG1-CB 4.43Å; A102-I124 HydrophobicContact CB-CG2 4.49Å
103S95.9Very high94.1Very high54 Ų5439.6 Ų39.638%0.37825%0.248SC..  trans-151.1158.5-179.3-74.90000111.5N101 N125 K172N101-S103 PolarHBondContact O-N 3.24Å; S103-N125 WeakPolarHBondContact CA-OD1 2.99Å; S103-K172 PolarHBondContact OG-NZ 3.4Å
104A94.4Very high94Very high15 Ų1540 Ų4012%0.12424%0.238CC..  trans-124.8151.6166.900000109.8L120 M121 I124 N125A104-L120 HydrophobicContact CB-CD2 4.24Å; A104-L120 HydrophobicContact CB-CG 4Å; A104-M121 HydrophobicContact CB-CG 4.37Å; A104-I124 HydrophobicContact CB-CB 4.43Å; A104-I124 HydrophobicContact CB-CD1 4.03Å; A104-N125 PolarHBondContact N-OD1 3.04Å; A104-N125 PolarHBondContact O-ND2 3.13Å; A104-N125 PolarHBondContact O-OD1 3.08Å
105I91.2Very high94Very high55 Ų5544.9 Ų44.928%0.28226%0.257SS..  trans-136.9141.9-175-175.3164.5000110.7L107 Y168 L209I105-L107 HydrophobicContact CD1-CD1 4.36Å; I105-L107 HydrophobicContact CD1-CD2 4Å; I105-L107 HydrophobicContact CD1-CG 4.1Å; I105-L107 HydrophobicContact CG1-CD2 4.02Å; I105-L107 HydrophobicContact CG1-CG 4.07Å; I105-Y168 HydrophobicContact CB-CD2 4.14Å; I105-Y168 HydrophobicContact CB-CE2 3.75Å; I105-Y168 HydrophobicContact CD1-CE1 3.94Å; I105-Y168 HydrophobicContact CD1-CE2 3.95Å; I105-Y168 HydrophobicContact CG1-CD1 4.42Å; I105-Y168 HydrophobicContact CG1-CD2 3.86Å; I105-Y168 HydrophobicContact CG1-CE1 4.22Å; I105-Y168 HydrophobicContact CG1-CE2 3.62Å; I105-Y168 HydrophobicContact CG1-CG 4.26Å; I105-L209 HydrophobicContact CD1-CD1 3.9Å; I105-L209 HydrophobicContact CG2-CD1 4.19Å
106S89.5Confident93.9Very high18 Ų1853.5 Ų53.513%0.12629%0.294CS..  trans-151.4115169.2-168.30000107.2T108 M121S106-T108 PolarHBondContact O-N 3.5Å; S106-T108 PolarHBondContact OG-OG1 3.06Å; S106-T108 VanDerWaalsContact OG-OG1 3.07Å; S106-M121 PolarHBondContact N-SD 2.96Å
107L88.4Confident93.8Very high64 Ų6456.7 Ų56.734%0.33531%0.307SS..  trans-96.667.8-177.8-60.8-179.2000109.9I105 H165 Y168 F272I105-L107 HydrophobicContact CD1-CD1 4.36Å; I105-L107 HydrophobicContact CD1-CD2 4Å; I105-L107 HydrophobicContact CD1-CG 4.1Å; I105-L107 HydrophobicContact CG1-CD2 4.02Å; I105-L107 HydrophobicContact CG1-CG 4.07Å; L107-H165 HydrophobicContact CD2-CB 4.09Å; L107-Y168 HydrophobicContact CD2-CD1 3.73Å; L107-Y168 HydrophobicContact CD2-CE1 4.18Å; L107-Y168 HydrophobicContact CD2-CG 4.3Å; L107-F272 HydrophobicContact CD1-CE2 4.18Å; L107-F272 HydrophobicContact CD1-CZ 3.71Å
108T84.2Confident93.7Very high42 Ų4257.8 Ų57.826%0.25831%0.313SS..  trans-127.8148-176.1430000110.5S106 E112 T113 N164S106-T108 PolarHBondContact O-N 3.5Å; S106-T108 PolarHBondContact OG-OG1 3.06Å; S106-T108 VanDerWaalsContact OG-OG1 3.07Å; T108-E112 HydrophobicContact CG2-CB 4.45Å; T108-T113 WeakPolarHBondContact CB-OG1 3.35Å; T108-T113 PolarHBondContact O-OG1 2.83Å; T108-T113 VanDerWaalsContact O-OG1 3.09Å; T108-T113 PolarHBondContact OG1-OG1 2.98Å; T108-N164 CarbonylContact C-O 3.54Å
109G86.4Confident93.7Very high20 Ų2062.4 Ų62.421%0.20634%0.338CS..  trans-69.7174.2173.900000112.8L111 E112 T113G109-L111 PolarHBondContact O-N 3.1Å; G109-E112 WeakPolarHBondContact CA-OE2 3.47Å; G109-E112 PolarHBondContact O-N 3.37Å; G109-T113 WeakPolarHBondContact O-CB 3.44Å; G109-T113 PolarHBondContact O-N 2.93Å; G109-T113 PolarHBondContact O-OG1 3.3Å
110T88.1Confident93.7Very high111 Ų11164.6 Ų64.668%0.68135%0.35SS*.THydrogen-bonded Turntrans-61.6-40.4-173.3-570000113.1E112T110-E112 VanDerWaalsContact C-N 3.33Å
111L90.8Very high93.6Very high162 Ų16264.7 Ų64.785%0.84835%0.35SS*.THydrogen-bonded Turntrans-76.3-27.2-178.9-63.8178.7000111.9G109G109-L111 PolarHBondContact O-N 3.1Å
112E88.3Confident93.6Very high120 Ų12066 Ų6656%0.56136%0.357SS*.THydrogen-bonded Turntrans-88.9-22.4-174.5-59.772.4-156.800112.4T108 G109 T110 P114T108-E112 HydrophobicContact CG2-CB 4.45Å; G109-E112 WeakPolarHBondContact CA-OE2 3.47Å; G109-E112 PolarHBondContact O-N 3.37Å; T110-E112 VanDerWaalsContact C-N 3.33Å; E112-P114 WeakPolarHBondContact O-CD 3.19Å
113T92.5Very high93.7Very high13 Ų1365.8 Ų65.88%0.0836%0.356CS..SBendtrans-80.3111.3-176.5-53.20000110.7T108 G109 K117 V118 M121 A167T108-T113 WeakPolarHBondContact CB-OG1 3.35Å; T108-T113 PolarHBondContact O-OG1 2.83Å; T108-T113 VanDerWaalsContact O-OG1 3.09Å; T108-T113 PolarHBondContact OG1-OG1 2.98Å; G109-T113 WeakPolarHBondContact O-CB 3.44Å; G109-T113 PolarHBondContact O-N 2.93Å; G109-T113 PolarHBondContact O-OG1 3.3Å; T113-K117 HydrophobicContact CG2-CB 4.07Å; T113-V118 HydrophobicContact CG2-CG2 3.55Å; T113-M121 HydrophobicContact CG2-CE 4.26Å; T113-A167 HydrophobicContact CG2-CB 4.44Å
114P95.6Very high93.8Very high77 Ų7763.9 Ų63.950%0.534%0.342SS..  trans-65.3142.9175.6-17.933.5000110.2E112 K116 K117 V118E112-P114 WeakPolarHBondContact O-CD 3.19Å; P114-K116 PolarHBondContact O-N 3.24Å; P114-K116 VanDerWaalsContact O-N 3.11Å; P114-K117 HydrophobicContact CG-CG 4.44Å; P114-K117 WeakPolarHBondContact O-CA 3.17Å; P114-K117 WeakPolarHBondContact O-CB 3.18Å; P114-K117 PolarHBondContact O-N 3.14Å; P114-V118 PolarHBondContact O-N 2.87Å
115M98.1Very high94Very high122 Ų12263.1 Ų63.160%0.60134%0.336SS*.Hα-helixtrans-56.7-34.2-177.7-73.7-52.9-55.300113.6K117 V118 D119M115-K117 PolarHBondContact O-N 3.06Å; M115-K117 VanDerWaalsContact O-N 3.16Å; M115-V118 HydrophobicContact CE-CB 3.98Å; M115-V118 HydrophobicContact CE-CG1 4.07Å; M115-V118 HydrophobicContact CE-CG2 4.32Å; M115-V118 WeakPolarHBondContact O-CA 3.36Å; M115-V118 WeakPolarHBondContact O-CB 3.38Å; M115-V118 PolarHBondContact O-N 3.22Å; M115-V118 HydrophobicContact SD-CB 4.35Å; M115-V118 HydrophobicContact SD-CG2 4.04Å; M115-D119 VanDerWaalsContact O-CG 3.26Å; M115-D119 PolarHBondContact O-N 2.86Å
116K97.2Very high94.4Very high181 Ų18163.3 Ų63.379%0.78734%0.337SS*.Hα-helixtrans-57.7-31.2173.1-173.8177.5-179.8178.80113.2P114 L120P114-K116 PolarHBondContact O-N 3.24Å; P114-K116 VanDerWaalsContact O-N 3.11Å; K116-L120 VanDerWaalsContact O-CB 3.24Å; K116-L120 WeakPolarHBondContact O-CB 3.48Å; K116-L120 PolarHBondContact O-N 3.47Å; K116-L120 VanDerWaalsContact O-N 3.08Å
117K96.4Very high94.8Very high96 Ų9668 Ų6842%0.41735%0.352SS..Hα-helixtrans-78.4-37.7174.8-69.9-74.8-170163.60111.4T113 P114 M115 L120 M121T113-K117 HydrophobicContact CG2-CB 4.07Å; P114-K117 HydrophobicContact CG-CG 4.44Å; P114-K117 WeakPolarHBondContact O-CA 3.17Å; P114-K117 WeakPolarHBondContact O-CB 3.18Å; P114-K117 PolarHBondContact O-N 3.14Å; M115-K117 PolarHBondContact O-N 3.06Å; M115-K117 VanDerWaalsContact O-N 3.16Å; K117-L120 HydrophobicContact CD-CD2 4.44Å; K117-L120 PolarHBondContact O-N 3.18Å; K117-M121 WeakPolarHBondContact O-CG 3.28Å; K117-M121 PolarHBondContact O-N 3.41Å
118V98.3Very high95.3Very high23 Ų2365 Ų6514%0.13934%0.336CS..Hα-helixtrans-57.9-53.1171.2-178.10000110T113 P114 M115 L120 M121 L122 A167T113-V118 HydrophobicContact CG2-CG2 3.55Å; P114-V118 PolarHBondContact O-N 2.87Å; M115-V118 HydrophobicContact CE-CB 3.98Å; M115-V118 HydrophobicContact CE-CG1 4.07Å; M115-V118 HydrophobicContact CE-CG2 4.32Å; M115-V118 WeakPolarHBondContact O-CA 3.36Å; M115-V118 WeakPolarHBondContact O-CB 3.38Å; M115-V118 PolarHBondContact O-N 3.22Å; M115-V118 HydrophobicContact SD-CB 4.35Å; M115-V118 HydrophobicContact SD-CG2 4.04Å; V118-L120 VanDerWaalsContact C-N 3.27Å; V118-L120 PolarHBondContact O-N 3.21Å; V118-M121 PolarHBondContact O-N 3.29Å; V118-M121 VanDerWaalsContact O-N 3.16Å; V118-L122 HydrophobicContact CG1-CD1 3.8Å; V118-L122 HydrophobicContact CG1-CG 4.33Å; V118-L122 WeakPolarHBondContact O-CG 3.44Å; V118-L122 PolarHBondContact O-N 2.81Å; V118-A167 HydrophobicContact CG2-CB 4.18Å
119D98.5Very high96Very high97 Ų9763 Ų6352%0.51932%0.324SS..Hα-helixtrans-60.9-36.8178.7-62.4-22.5000111.9M115 G123M115-D119 VanDerWaalsContact O-CG 3.26Å; M115-D119 PolarHBondContact O-N 2.86Å; D119-G123 VanDerWaalsContact O-CA 3.25Å; D119-G123 WeakPolarHBondContact O-CA 3.44Å; D119-G123 PolarHBondContact O-N 3.22Å
120L98.2Very high96.6Very high47 Ų4768.4 Ų68.425%0.24634%0.339CS..Hα-helixtrans-64.2-48.2175.2-177.569.1000111.6A104 K116 K117 V118 I124A104-L120 HydrophobicContact CB-CD2 4.24Å; A104-L120 HydrophobicContact CB-CG 4Å; K116-L120 VanDerWaalsContact O-CB 3.24Å; K116-L120 WeakPolarHBondContact O-CB 3.48Å; K116-L120 PolarHBondContact O-N 3.47Å; K116-L120 VanDerWaalsContact O-N 3.08Å; K117-L120 HydrophobicContact CD-CD2 4.44Å; K117-L120 PolarHBondContact O-N 3.18Å; V118-L120 VanDerWaalsContact C-N 3.27Å; V118-L120 PolarHBondContact O-N 3.21Å; L120-I124 HydrophobicContact CD1-CD1 3.43Å; L120-I124 VanDerWaalsContact CD1-CD1 3.43Å; L120-I124 HydrophobicContact CD1-CG1 4.19Å; L120-I124 HydrophobicContact CG-CD1 4.05Å; L120-I124 WeakPolarHBondContact O-CB 3.43Å; L120-I124 WeakPolarHBondContact O-CG1 3.35Å; L120-I124 PolarHBondContact O-N 3.3Å
121M98.5Very high97.1Very high2 Ų263.5 Ų63.51%0.0131%0.309CS..Hα-helixtrans-66.9-49.4-179.4-70.6-172.7-64.900111.4A104 S106 T113 K117 V118 G123 N125 A167 Y168 A171A104-M121 HydrophobicContact CB-CG 4.37Å; S106-M121 PolarHBondContact N-SD 2.96Å; T113-M121 HydrophobicContact CG2-CE 4.26Å; K117-M121 WeakPolarHBondContact O-CG 3.28Å; K117-M121 PolarHBondContact O-N 3.41Å; V118-M121 PolarHBondContact O-N 3.29Å; V118-M121 VanDerWaalsContact O-N 3.16Å; M121-G123 VanDerWaalsContact C-N 3.33Å; M121-G123 PolarHBondContact O-N 3.06Å; M121-N125 WeakPolarHBondContact O-CB 3.35Å; M121-N125 PolarHBondContact O-N 3.36Å; M121-N125 PolarHBondContact O-OD1 3.17Å; M121-A167 HydrophobicContact CE-CB 3.59Å; M121-Y168 HydrophobicContact SD-CD2 3.92Å; M121-Y168 HydrophobicContact SD-CG 4.33Å; M121-A171 HydrophobicContact CB-CB 3.81Å
122L98.7Very high97.5Very high51 Ų5155.8 Ų55.827%0.26727%0.268SS..Iπ-helixtrans-65.1-38.8177.2-65.7178.4000111.7V118 L126 R127 A171V118-L122 HydrophobicContact CG1-CD1 3.8Å; V118-L122 HydrophobicContact CG1-CG 4.33Å; V118-L122 WeakPolarHBondContact O-CG 3.44Å; V118-L122 PolarHBondContact O-N 2.81Å; L122-L126 PolarHBondContact O-N 3.41Å; L122-R127 PolarHBondContact O-N 2.89Å; L122-A171 HydrophobicContact CD2-CB 4.01Å
123G98.7Very high98Very high11 Ų1150.1 Ų50.111%0.11324%0.242CC..Iπ-helixtrans-67.2-40.8-179.500000113.6D119 M121 G128D119-G123 VanDerWaalsContact O-CA 3.25Å; D119-G123 WeakPolarHBondContact O-CA 3.44Å; D119-G123 PolarHBondContact O-N 3.22Å; M121-G123 VanDerWaalsContact C-N 3.33Å; M121-G123 PolarHBondContact O-N 3.06Å; G123-G128 PolarHBondContact O-N 2.99Å
124I98.5Very high98.3Very high14 Ų1454.6 Ų54.67%0.07226%0.26CS..Iπ-helixtrans-83.8-53.4178.8-66.2178.6000110.6I75 R76 A102 A104 L120 G128I75-I124 HydrophobicContact CD1-CG2 3.89Å; I75-I124 VanDerWaalsContact CD1-O 3.27Å; I75-I124 WeakPolarHBondContact CD1-O 3.35Å; I75-I124 HydrophobicContact CG1-CG2 4.26Å; R76-I124 HydrophobicContact CG-CG1 3.84Å; A102-I124 HydrophobicContact CB-CG2 4.49Å; A104-I124 HydrophobicContact CB-CB 4.43Å; A104-I124 HydrophobicContact CB-CD1 4.03Å; L120-I124 HydrophobicContact CD1-CD1 3.43Å; L120-I124 VanDerWaalsContact CD1-CD1 3.43Å; L120-I124 HydrophobicContact CD1-CG1 4.19Å; L120-I124 HydrophobicContact CG-CD1 4.05Å; L120-I124 WeakPolarHBondContact O-CB 3.43Å; L120-I124 WeakPolarHBondContact O-CG1 3.35Å; L120-I124 PolarHBondContact O-N 3.3Å; I124-G128 WeakPolarHBondContact O-CA 3.23Å
125N98.7Very high98.5Very high0 Ų052.9 Ų52.90%025%0.246CC..Iπ-helixtrans-72.8-64.3-169.9-54.11.6000109.9S103 A104 M121 T129 A171 M175S103-N125 WeakPolarHBondContact CA-OD1 2.99Å; A104-N125 PolarHBondContact N-OD1 3.04Å; A104-N125 PolarHBondContact O-ND2 3.13Å; A104-N125 PolarHBondContact O-OD1 3.08Å; M121-N125 WeakPolarHBondContact O-CB 3.35Å; M121-N125 PolarHBondContact O-N 3.36Å; M121-N125 PolarHBondContact O-OD1 3.17Å; N125-T129 WeakPolarHBondContact O-CB 3.08Å; N125-T129 PolarHBondContact O-N 2.81Å; N125-T129 PolarHBondContact O-OG1 3.05Å; N125-A171 HydrophobicContact CB-CB 4.01Å; N125-A171 WeakPolarHBondContact CB-O 3.27Å; N125-M175 HydrophobicContact CB-CG 4.16Å; N125-M175 HydrophobicContact CB-SD 3.78Å; N125-M175 WeakPolarHBondContact O-CG 3.5Å
126L98.6Very high98.5Very high59 Ų5947 Ų4731%0.30922%0.218SC..Iπ-helixtrans-76.9-63-174.9167.758.6000111.8L122 G128 T129 Y130 G174L122-L126 PolarHBondContact O-N 3.41Å; L126-G128 PolarHBondContact O-N 3.34Å; L126-T129 PolarHBondContact O-N 3.13Å; L126-Y130 PolarHBondContact O-N 2.93Å; L126-G174 WeakPolarHBondContact CD1-O 3.45Å
127R98.8Very high98.6Very high116 Ų11639.2 Ų39.244%0.43818%0.184SC..Iπ-helixtrans-62.7-44-174.4-177.9-177.8177.2-82.31.7111.2R76 L122 Y130 L131R76-R127 PolarHBondContact O-NH1 2.82Å; L122-R127 PolarHBondContact O-N 2.89Å; R127-Y130 PolarHBondContact O-N 2.95Å; R127-L131 VanDerWaalsContact O-CB 3.22Å; R127-L131 WeakPolarHBondContact O-CB 3.42Å; R127-L131 PolarHBondContact O-N 2.85Å
128G98.8Very high98.7Very high0 Ų037.7 Ų37.70%018%0.184CC..Hα-helixtrans-62.2-41.7178.900000112.9I75 G123 I124 L126 T132I75-G128 WeakPolarHBondContact O-CA 3.38Å; G123-G128 PolarHBondContact O-N 2.99Å; I124-G128 WeakPolarHBondContact O-CA 3.23Å; L126-G128 PolarHBondContact O-N 3.34Å; G128-T132 VanDerWaalsContact O-CB 3.31Å; G128-T132 WeakPolarHBondContact O-CB 3.5Å; G128-T132 PolarHBondContact O-N 3.22Å; G128-T132 PolarHBondContact O-OG1 3.42Å
129T98.9Very high98.8Very high1 Ų138.7 Ų38.71%0.00619%0.187CC..Hα-helixtrans-60.2-52.3172-68.50000111.4N100 N125 L126 L131 T132 S133 N150 M175 C178N100-T129 HydrophobicContact CB-CG2 4.05Å; N125-T129 WeakPolarHBondContact O-CB 3.08Å; N125-T129 PolarHBondContact O-N 2.81Å; N125-T129 PolarHBondContact O-OG1 3.05Å; L126-T129 PolarHBondContact O-N 3.13Å; T129-L131 PolarHBondContact O-N 3.01Å; T129-T132 PolarHBondContact O-N 3.47Å; T129-S133 WeakPolarHBondContact O-CB 3.38Å; T129-S133 PolarHBondContact O-N 3.06Å; T129-S133 PolarHBondContact O-OG 3.11Å; T129-S133 VanDerWaalsContact O-OG 3.07Å; T129-N150 WeakPolarHBondContact CG2-ND2 3.35Å; T129-M175 HydrophobicContact CG2-CB 4.42Å; T129-M175 HydrophobicContact CG2-CG 4.43Å; T129-C178 HydrophobicContact CG2-CB 4.39Å
130Y98.9Very high98.8Very high133 Ų13334.1 Ų34.152%0.52216%0.163SC..Hα-helixtrans-58.5-47.5-179.4-177.1-86.4000111.9L126 R127 S133 K134 M182L126-Y130 PolarHBondContact O-N 2.93Å; R127-Y130 PolarHBondContact O-N 2.95Å; Y130-S133 PolarHBondContact O-N 2.88Å; Y130-K134 WeakPolarHBondContact O-CB 3.28Å; Y130-K134 PolarHBondContact O-N 3.35Å; Y130-M182 HydrophobicContact CD2-CE 3.65Å; Y130-M182 HydrophobicContact CE2-CE 3.98Å; Y130-M182 HydrophobicContact CG-CE 4.33Å
131L98.9Very high98.8Very high9 Ų935.8 Ų35.85%0.04717%0.171CC..Hα-helixtrans-67.4-43.4-177-177.658.1000112.4E78 I81 R127 T129 K134 L135E78-L131 HydrophobicContact CB-CD1 4.39Å; E78-L131 HydrophobicContact CB-CD2 3.85Å; E78-L131 HydrophobicContact CG-CD1 3.92Å; E78-L131 HydrophobicContact CG-CD2 4.29Å; I81-L131 HydrophobicContact CD1-CB 4.39Å; I81-L131 HydrophobicContact CD1-CD2 3.76Å; I81-L131 HydrophobicContact CD1-CG 3.85Å; R127-L131 VanDerWaalsContact O-CB 3.22Å; R127-L131 WeakPolarHBondContact O-CB 3.42Å; R127-L131 PolarHBondContact O-N 2.85Å; T129-L131 PolarHBondContact O-N 3.01Å; L131-K134 HydrophobicContact CD1-CD 4.41Å; L131-K134 WeakPolarHBondContact O-CB 3.46Å; L131-K134 PolarHBondContact O-N 2.92Å; L131-L135 HydrophobicContact CD1-CD1 4.32Å; L131-L135 HydrophobicContact CD1-CG 4.44Å; L131-L135 HydrophobicContact CG-CD1 4.43Å; L131-L135 WeakPolarHBondContact O-CG 3.36Å; L131-L135 PolarHBondContact O-N 2.81Å; L131-L135 VanDerWaalsContact O-N 3.09Å
132T98.9Very high98.8Very high0 Ų043.7 Ų43.70%021%0.206CC..Hα-helixtrans-64.1-44.6177.3-51.10000110.5F14 T16 I81 L98 G128 T129 K134 L135 V136F14-T132 HydrophobicContact CD1-CG2 4.2Å; F14-T132 HydrophobicContact CE1-CG2 3.86Å; T16-T132 HydrophobicContact CG2-CG2 3.85Å; I81-T132 HydrophobicContact CG2-CG2 4.16Å; L98-T132 HydrophobicContact CD1-CG2 3.66Å; L98-T132 HydrophobicContact CD2-CG2 4.24Å; G128-T132 VanDerWaalsContact O-CB 3.31Å; G128-T132 WeakPolarHBondContact O-CB 3.5Å; G128-T132 PolarHBondContact O-N 3.22Å; G128-T132 PolarHBondContact O-OG1 3.42Å; T129-T132 PolarHBondContact O-N 3.47Å; T132-K134 PolarHBondContact O-N 3.39Å; T132-L135 PolarHBondContact O-N 3.44Å; T132-V136 HydrophobicContact CG2-CG2 4.25Å; T132-V136 WeakPolarHBondContact O-CB 3.33Å; T132-V136 VanDerWaalsContact O-CG2 3.28Å; T132-V136 WeakPolarHBondContact O-CG2 3.43Å; T132-V136 PolarHBondContact O-N 3.35Å
133S98.9Very high98.8Very high0 Ų042.2 Ų42.20%020%0.2CC..Hα-helixtrans-56.8-50.3173.2-64.90000111.8L98 N100 T129 Y130 L135 V136 I137L98-S133 VanDerWaalsContact CD2-CA 3.47Å; L98-S133 WeakPolarHBondContact CD2-OG 3.34Å; N100-S133 PolarHBondContact ND2-OG 3.36Å; N100-S133 VanDerWaalsContact ND2-OG 3.12Å; T129-S133 WeakPolarHBondContact O-CB 3.38Å; T129-S133 PolarHBondContact O-N 3.06Å; T129-S133 PolarHBondContact O-OG 3.11Å; T129-S133 VanDerWaalsContact O-OG 3.07Å; Y130-S133 PolarHBondContact O-N 2.88Å; S133-L135 VanDerWaalsContact C-N 3.27Å; S133-L135 PolarHBondContact O-N 2.93Å; S133-V136 PolarHBondContact O-N 2.89Å; S133-V136 VanDerWaalsContact O-N 3.13Å; S133-I137 WeakPolarHBondContact O-CB 3.41Å; S133-I137 WeakPolarHBondContact O-CD1 3.39Å; S133-I137 WeakPolarHBondContact O-CG1 3.49Å; S133-I137 PolarHBondContact O-N 3.32Å
134K98.9Very high98.5Very high107 Ų10753.8 Ų53.847%0.46524%0.24SC..Hα-helixtrans-51.6-45178176.8-168.1171.7-161.10112.4E78 Y130 L131 T132 P138E78-K134 IonicContact OE1-NZ 3.88Å; Y130-K134 WeakPolarHBondContact O-CB 3.28Å; Y130-K134 PolarHBondContact O-N 3.35Å; L131-K134 HydrophobicContact CD1-CD 4.41Å; L131-K134 WeakPolarHBondContact O-CB 3.46Å; L131-K134 PolarHBondContact O-N 2.92Å; T132-K134 PolarHBondContact O-N 3.39Å; K134-P138 WeakPolarHBondContact O-CD 3.46Å
135L98.9Very high98.4Very high41 Ų4156 Ų5622%0.21525%0.248CC..Hα-helixtrans-77.5-27.4-177-66.2176.5000113.2E78 I81 V85 L131 T132 S133E78-L135 HydrophobicContact CG-CD1 4.26Å; I81-L135 HydrophobicContact CB-CD1 3.78Å; I81-L135 HydrophobicContact CG2-CB 4.29Å; I81-L135 HydrophobicContact CG2-CD1 3.54Å; V85-L135 HydrophobicContact CG2-CB 4.47Å; L131-L135 HydrophobicContact CD1-CD1 4.32Å; L131-L135 HydrophobicContact CD1-CG 4.44Å; L131-L135 HydrophobicContact CG-CD1 4.43Å; L131-L135 WeakPolarHBondContact O-CG 3.36Å; L131-L135 PolarHBondContact O-N 2.81Å; L131-L135 VanDerWaalsContact O-N 3.09Å; T132-L135 PolarHBondContact O-N 3.44Å; S133-L135 VanDerWaalsContact C-N 3.27Å; S133-L135 PolarHBondContact O-N 2.93Å
136V98.9Very high98.4Very high0 Ų056.2 Ų56.20%025%0.249CC..Hα-helixtrans-88.7-30.1-179.2174.60000112.6F14 V85 I95 L98 T132 S133 P138 H139 L140F14-V136 HydrophobicContact CG-CG2 4.45Å; V85-V136 HydrophobicContact CG2-CG2 3.66Å; I95-V136 HydrophobicContact CB-CG1 4.28Å; I95-V136 HydrophobicContact CD1-CG1 4.19Å; I95-V136 HydrophobicContact CD1-CG2 4.28Å; I95-V136 HydrophobicContact CG2-CG1 3.69Å; L98-V136 HydrophobicContact CB-CG1 4.03Å; L98-V136 HydrophobicContact CD1-CG2 4.46Å; L98-V136 HydrophobicContact CD2-CB 4.18Å; L98-V136 HydrophobicContact CD2-CG1 4.43Å; L98-V136 HydrophobicContact CD2-CG2 4.46Å; T132-V136 HydrophobicContact CG2-CG2 4.25Å; T132-V136 WeakPolarHBondContact O-CB 3.33Å; T132-V136 VanDerWaalsContact O-CG2 3.28Å; T132-V136 WeakPolarHBondContact O-CG2 3.43Å; T132-V136 PolarHBondContact O-N 3.35Å; S133-V136 PolarHBondContact O-N 2.89Å; S133-V136 VanDerWaalsContact O-N 3.13Å; V136-P138 VanDerWaalsContact C-CD 3.49Å; V136-H139 WeakPolarHBondContact O-CA 3.34Å; V136-H139 WeakPolarHBondContact O-CB 3.45Å; V136-H139 PolarHBondContact O-N 3.26Å; V136-L140 HydrophobicContact CG1-CD1 3.97Å; V136-L140 HydrophobicContact CG1-CD2 4.12Å; V136-L140 HydrophobicContact CG1-CG 3.78Å; V136-L140 PolarHBondContact O-N 3.26Å; V136-L140 VanDerWaalsContact O-N 3.11Å
137I98.9Very high98.4Very high16 Ų1653.5 Ų53.58%0.08224%0.235CC..Hα-helixtrans-48.8-46.3-178.9-81.2159.3000113.7S133 H139 L140 L141 I148 F186 I190S133-I137 WeakPolarHBondContact O-CB 3.41Å; S133-I137 WeakPolarHBondContact O-CD1 3.39Å; S133-I137 WeakPolarHBondContact O-CG1 3.49Å; S133-I137 PolarHBondContact O-N 3.32Å; I137-H139 PolarHBondContact O-N 3Å; I137-L140 PolarHBondContact O-N 3.21Å; I137-L141 HydrophobicContact CG2-CD1 4.13Å; I137-L141 HydrophobicContact CG2-CG 4.28Å; I137-L141 WeakPolarHBondContact O-CG 3.4Å; I137-L141 PolarHBondContact O-N 2.93Å; I137-I148 HydrophobicContact CD1-CD1 4.31Å; I137-I148 HydrophobicContact CG1-CD1 3.95Å; I137-F186 HydrophobicContact CD1-CD2 4.3Å; I137-F186 HydrophobicContact CD1-CE2 3.56Å; I137-F186 HydrophobicContact CD1-CZ 3.85Å; I137-F186 HydrophobicContact CG1-CE2 4.35Å; I137-F186 HydrophobicContact CG1-CZ 4.48Å; I137-F186 HydrophobicContact CG2-CD1 4.44Å; I137-F186 HydrophobicContact CG2-CE1 3.78Å; I137-F186 HydrophobicContact CG2-CE2 4.43Å; I137-F186 HydrophobicContact CG2-CZ 3.79Å; I137-I190 HydrophobicContact CB-CD1 4.45Å; I137-I190 HydrophobicContact CG1-CD1 4.12Å; I137-I190 HydrophobicContact CG2-CD1 4.08Å
138P98.9Very high98.4Very high65 Ų6548 Ų4842%0.42221%0.214SC..Hα-helixtrans-58.1-24.2178.9-2736000114.4K134 V136 K142K134-P138 WeakPolarHBondContact O-CD 3.46Å; V136-P138 VanDerWaalsContact C-CD 3.49Å; P138-K142 WeakPolarHBondContact O-CE 3.22Å
139H98.8Very high98.4Very high44 Ų4448.1 Ų48.120%0.20421%0.214CC..Hα-helixtrans-88-39.2176.2-55.8-75.2000111.5V89 I95 V136 I137 L141 K142 S143V89-H139 VanDerWaalsContact CG2-CE1 3.5Å; V89-H139 WeakPolarHBondContact CG2-CE1 3.21Å; V89-H139 WeakPolarHBondContact CG2-ND1 3.5Å; I95-H139 HydrophobicContact CB-CB 4.12Å; I95-H139 HydrophobicContact CG1-CB 4.46Å; V136-H139 WeakPolarHBondContact O-CA 3.34Å; V136-H139 WeakPolarHBondContact O-CB 3.45Å; V136-H139 PolarHBondContact O-N 3.26Å; I137-H139 PolarHBondContact O-N 3Å; H139-L141 VanDerWaalsContact C-N 3.28Å; H139-L141 PolarHBondContact O-N 3.02Å; H139-K142 WeakPolarHBondContact O-CB 3.42Å; H139-K142 PolarHBondContact O-N 2.97Å; H139-S143 PolarHBondContact O-N 3.49Å
140L98.9Very high98.4Very high0 Ų048 Ų480%021%0.214CC..Hα-helixtrans-59.5-38.5173.4-62.5177.4000111.9I95 D96 V136 I137 K142 S143 P146 I148 I190I95-L140 HydrophobicContact CG2-CD2 4.25Å; D96-L140 WeakPolarHBondContact O-CD2 3.06Å; V136-L140 HydrophobicContact CG1-CD1 3.97Å; V136-L140 HydrophobicContact CG1-CD2 4.12Å; V136-L140 HydrophobicContact CG1-CG 3.78Å; V136-L140 PolarHBondContact O-N 3.26Å; V136-L140 VanDerWaalsContact O-N 3.11Å; I137-L140 PolarHBondContact O-N 3.21Å; L140-K142 PolarHBondContact O-N 3.04Å; L140-S143 VanDerWaalsContact O-CB 3.27Å; L140-S143 WeakPolarHBondContact O-CB 3.39Å; L140-S143 PolarHBondContact O-N 3.13Å; L140-P146 HydrophobicContact CB-CB 4.18Å; L140-P146 WeakPolarHBondContact O-CB 3.47Å; L140-I148 HydrophobicContact CD1-CD1 3.83Å; L140-I148 HydrophobicContact CD1-CG1 3.45Å; L140-I148 VanDerWaalsContact CD1-CG1 3.45Å; L140-I190 HydrophobicContact CB-CD1 3.78Å; L140-I190 HydrophobicContact CB-CG1 4.2Å; L140-I190 HydrophobicContact CD1-CD1 4.33Å; L140-I190 HydrophobicContact CD1-CG2 4.14Å
141L98.8Very high98.4Very high82 Ų8242.1 Ų42.143%0.42919%0.191SC..THydrogen-bonded Turntrans-59.4-17.5177.1-69.7174000113.9I137 H139 F186 Q189 I190I137-L141 HydrophobicContact CG2-CD1 4.13Å; I137-L141 HydrophobicContact CG2-CG 4.28Å; I137-L141 WeakPolarHBondContact O-CG 3.4Å; I137-L141 PolarHBondContact O-N 2.93Å; H139-L141 VanDerWaalsContact C-N 3.28Å; H139-L141 PolarHBondContact O-N 3.02Å; L141-F186 HydrophobicContact CD2-CD1 4.31Å; L141-Q189 HydrophobicContact CD2-CB 3.89Å; L141-I190 HydrophobicContact CD2-CD1 3.86Å; L141-I190 HydrophobicContact CD2-CG1 4.03Å; L141-I190 HydrophobicContact CG-CD1 4.15Å
142K98.5Very high98.4Very high169 Ų16941.7 Ų41.774%0.73519%0.189SC*.THydrogen-bonded Turntrans-99.5-9.6176.8-55.8174.2-172.3175.40112.7P138 H139 L140P138-K142 WeakPolarHBondContact O-CE 3.22Å; H139-K142 WeakPolarHBondContact O-CB 3.42Å; H139-K142 PolarHBondContact O-N 2.97Å; L140-K142 PolarHBondContact O-N 3.04Å
143S97.9Very high98.4Very high20 Ų2041.7 Ų41.714%0.1419%0.189CC..  trans-76.2151.5-176.4173.60000112D96 H139 L140 R145D96-S143 VanDerWaalsContact CA-OG 3.31Å; D96-S143 WeakPolarHBondContact CA-OG 3.46Å; D96-S143 WeakPolarHBondContact CB-OG 3.28Å; D96-S143 WeakPolarHBondContact OD1-CB 3.48Å; D96-S143 PolarHBondContact OD1-OG 3.12Å; H139-S143 PolarHBondContact O-N 3.49Å; L140-S143 VanDerWaalsContact O-CB 3.27Å; L140-S143 WeakPolarHBondContact O-CB 3.39Å; L140-S143 PolarHBondContact O-N 3.13Å; S143-R145 VanDerWaalsContact OG-C 3.31Å; S143-R145 PolarHBondContact OG-N 3.26Å
144R94.3Very high98.3Very high253 Ų25343.1 Ų43.196%0.95520%0.199SC*.SBendtrans-83.5-16.5169.3-64.7-178.7179.9164.50.3113.1P146R144-P146 VanDerWaalsContact C-CD 3.48Å
145R95.5Very high98.2Very high61 Ų6140.3 Ų40.323%0.2319%0.188CC..SBendtrans-134.363.3178.8-169.4-175.1-70-76.2-0.6110.6K7 D96 S143 H147K7-R145 PolarHBondContact O-NE 3.02Å; K7-R145 VanDerWaalsContact O-NE 3.08Å; K7-R145 PolarHBondContact O-NH2 3.09Å; D96-R145 CarbonylContact C-O 3.59Å; D96-R145 CarbonylContact O-C 3.58Å; S143-R145 VanDerWaalsContact OG-C 3.31Å; S143-R145 PolarHBondContact OG-N 3.26Å; R145-H147 PolarHBondContact O-CD2 3.36Å; R145-H147 PolarHBondContact O-N 2.74Å
146P98.6Very high97.9Very high4 Ų439.8 Ų39.83%0.02619%0.186CC..  trans-77.3109.2-174.630-33.4000112.4D96 L140 R144 Q189 I190 A191 K236D96-P146 VanDerWaalsContact O-CA 3.27Å; D96-P146 WeakPolarHBondContact O-CA 3.47Å; L140-P146 HydrophobicContact CB-CB 4.18Å; L140-P146 WeakPolarHBondContact O-CB 3.47Å; R144-P146 VanDerWaalsContact C-CD 3.48Å; P146-Q189 WeakPolarHBondContact CG-O 3.23Å; P146-I190 HydrophobicContact CB-CB 4.34Å; P146-I190 HydrophobicContact CB-CG1 4.13Å; P146-I190 HydrophobicContact CB-CG2 4.22Å; P146-A191 PolarHBondContact O-N 3.03Å; P146-K236 HydrophobicContact CG-CB 4.14Å; P146-K236 HydrophobicContact CG-CD 4.24Å
147H98.9Very high97.5Very high3 Ų346 Ų461%0.01422%0.218CC..EExtended strand (participates in β ladder)trans-128143.3173.6-67.7-105.8000112.8D96 I97 L98 R145 A191 L232 K234D96-H147 PolarHBondContact O-N 2.93Å; I97-H147 CarbonylContact C-O 3.52Å; I97-H147 WeakPolarHBondContact CA-O 3.27Å; I97-H147 HydrophobicContact CG1-CB 4.24Å; I97-H147 HydrophobicContact CG2-CB 4.4Å; L98-H147 PolarHBondContact N-O 2.88Å; R145-H147 PolarHBondContact O-CD2 3.36Å; R145-H147 PolarHBondContact O-N 2.74Å; H147-A191 CarbonylContact C-O 3.54Å; H147-A191 VanDerWaalsContact CA-O 3.28Å; H147-A191 WeakPolarHBondContact CA-O 3.45Å; H147-A191 WeakPolarHBondContact ND1-CB 3.45Å; H147-L232 HydrophobicContact CB-CD2 3.64Å; H147-K234 PolarHBondContact CE1-O 3.03Å; H147-K234 VanDerWaalsContact CE1-O 3.24Å; H147-K234 PolarHBondContact NE2-O 3.32Å; H147-K234 VanDerWaalsContact NE2-O 3.14Å
148I98.9Very high96.9Very high1 Ų148.1 Ų48.11%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-117.6122.2160.1-58.8178.9000106.9L98 I137 L140 N150 I190 A191 V192 N193L98-I148 HydrophobicContact CB-CG1 4.26Å; L98-I148 HydrophobicContact CD2-CG1 4.44Å; L98-I148 HydrophobicContact CD2-CG2 4.28Å; L98-I148 HydrophobicContact CG-CG2 4.48Å; L98-I148 CarbonylContact O-C 3.55Å; L98-I148 WeakPolarHBondContact O-CA 3.13Å; I137-I148 HydrophobicContact CD1-CD1 4.31Å; I137-I148 HydrophobicContact CG1-CD1 3.95Å; L140-I148 HydrophobicContact CD1-CD1 3.83Å; L140-I148 HydrophobicContact CD1-CG1 3.45Å; L140-I148 VanDerWaalsContact CD1-CG1 3.45Å; I148-N150 WeakPolarHBondContact CG2-OD1 3.39Å; I148-I190 HydrophobicContact CD1-CG2 4.3Å; I148-I190 HydrophobicContact CG1-CG2 4.03Å; I148-A191 PolarHBondContact N-O 2.98Å; I148-V192 HydrophobicContact CB-CB 4.41Å; I148-V192 HydrophobicContact CB-CG1 4.05Å; I148-V192 HydrophobicContact CB-CG2 4.14Å; I148-V192 HydrophobicContact CD1-CG2 4.17Å; I148-V192 HydrophobicContact CG1-CG2 4.4Å; I148-V192 HydrophobicContact CG2-CG1 4.16Å; I148-V192 WeakPolarHBondContact O-CA 3.38Å; I148-N193 PolarHBondContact O-N 3.3Å
149L98.9Very high96Very high1 Ų149.6 Ų49.61%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-116.9113.9174.6-170.964.5000109.5L98 V99 N100 N193 L195 A228 V231 L232L98-L149 PolarHBondContact O-N 3.4Å; V99-L149 CarbonylContact C-O 3.51Å; V99-L149 WeakPolarHBondContact CA-O 3.29Å; N100-L149 PolarHBondContact N-O 3.41Å; L149-N193 WeakPolarHBondContact CA-O 3.5Å; L149-N193 HydrophobicContact CD1-CB 4.24Å; L149-L195 HydrophobicContact CD1-CB 3.9Å; L149-L195 HydrophobicContact CD2-CB 4.43Å; L149-L195 HydrophobicContact CD2-CD2 4.26Å; L149-L195 HydrophobicContact CG-CB 4.34Å; L149-A228 HydrophobicContact CD2-CB 3.71Å; L149-V231 HydrophobicContact CD1-CG1 3.95Å; L149-L232 HydrophobicContact CB-CD2 4.18Å; L149-L232 HydrophobicContact CD2-CD2 4.41Å; L149-L232 HydrophobicContact CD2-CG 4.34Å
150N98.9Very high95.2Very high0 Ų051 Ų510%025%0.251CS..EExtended strand (participates in β ladder)trans-94127174.9-67.4-2.7000109.3N100 T129 I148 S152 M175 V179 N193 A194 L195N100-N150 WeakPolarHBondContact CB-OD1 3.37Å; N100-N150 PolarHBondContact ND2-OD1 2.98Å; T129-N150 WeakPolarHBondContact CG2-ND2 3.35Å; I148-N150 WeakPolarHBondContact CG2-OD1 3.39Å; N150-S152 PolarHBondContact O-N 3.35Å; N150-M175 PolarHBondContact ND2-O 2.74Å; N150-V179 HydrophobicContact CB-CG2 3.83Å; N150-V179 WeakPolarHBondContact ND2-CG2 3.31Å; N150-N193 PolarHBondContact N-O 3.45Å; N150-A194 CarbonylContact O-C 3.54Å; N150-A194 WeakPolarHBondContact O-CA 3.21Å; N150-L195 PolarHBondContact O-N 2.87Å
151L98.9Very high94.6Very high8 Ų853 Ų534%0.04226%0.258CS..  trans-81.677.8174.4-72.7-62000107.7I22 I26 V99 N100 N101 K172 L195 M224I22-L151 HydrophobicContact CG2-CD1 4.29Å; I26-L151 HydrophobicContact CD1-CD1 4.2Å; I26-L151 HydrophobicContact CD1-CD2 4.37Å; V99-L151 HydrophobicContact CG1-CD2 3.32Å; N100-L151 PolarHBondContact O-N 3.27Å; N101-L151 HydrophobicContact CB-CD2 3.77Å; N101-L151 HydrophobicContact CB-CG 4Å; L151-K172 PolarHBondContact O-NZ 3.07Å; L151-L195 CarbonylContact C-O 3.5Å; L151-L195 WeakPolarHBondContact CA-O 3.48Å; L151-L195 HydrophobicContact CD1-CB 4.46Å; L151-M224 HydrophobicContact CD1-CE 3.51Å
152S98.8Very high94.1Very high1 Ų151.9 Ų51.91%0.00725%0.25CS..  trans-146.6153.8-172.666.10000111.7N150 S176 A194 L195 W196N150-S152 PolarHBondContact O-N 3.35Å; S152-S176 VanDerWaalsContact CB-OG 3.22Å; S152-S176 WeakPolarHBondContact CB-OG 3.45Å; S152-S176 PolarHBondContact OG-N 3.08Å; S152-S176 PolarHBondContact OG-OG 3.44Å; S152-A194 WeakPolarHBondContact O-CB 3.32Å; S152-L195 PolarHBondContact N-O 3.24Å; S152-W196 VanDerWaalsContact CA-CE3 3.48Å
153P98.5Very high93.1Very high0 Ų050.2 Ų50.20%024%0.243CC..  trans-77.6164-170.732-37.9000113.1K172 Y173 S176 W196 F273P153-K172 HydrophobicContact CG-CB 4.27Å; P153-Y173 HydrophobicContact CG-CD1 3.85Å; P153-Y173 HydrophobicContact CG-CE1 3.73Å; P153-S176 WeakPolarHBondContact O-CB 3.43Å; P153-S176 PolarHBondContact O-OG 3.09Å; P153-W196 HydrophobicContact CB-CD2 3.74Å; P153-W196 HydrophobicContact CB-CE3 4.3Å; P153-W196 HydrophobicContact CB-CG 3.89Å; P153-W196 HydrophobicContact CB-CZ2 4.4Å; P153-W196 HydrophobicContact CG-CD2 4.49Å; P153-F273 HydrophobicContact CB-CB 3.72Å; P153-F273 HydrophobicContact CB-CD2 3.63Å; P153-F273 HydrophobicContact CB-CG 3.93Å; P153-F273 HydrophobicContact CG-CB 4.25Å; P153-F273 HydrophobicContact CG-CD2 3.55Å; P153-F273 HydrophobicContact CG-CE2 4.1Å; P153-F273 HydrophobicContact CG-CG 3.97Å
154P97.2Very high92Very high30 Ų3052.6 Ų52.620%0.19525%0.254CS..  trans-52.9148.8158.7-21.733000112.1N156 F242 L274P154-N156 VanDerWaalsContact C-N 3.34Å; P154-N156 PolarHBondContact O-N 3.47Å; P154-F242 HydrophobicContact CB-CB 4Å; P154-F242 HydrophobicContact CG-CB 4.07Å; P154-L274 HydrophobicContact CG-CD2 4.07Å
155L96.9Very high91.9Very high47 Ų4741.1 Ų41.125%0.24621%0.211CC..  trans-7981.5177.9-69.6171.2000110.9Y173 M177 L180 F242L155-Y173 HydrophobicContact CD2-CD1 4.36Å; L155-Y173 HydrophobicContact CD2-CD2 3.66Å; L155-Y173 HydrophobicContact CD2-CE2 4.36Å; L155-Y173 HydrophobicContact CD2-CG 3.66Å; L155-M177 HydrophobicContact CD1-CG 4.16Å; L155-M177 HydrophobicContact CD2-CE 4.33Å; L155-M177 HydrophobicContact CD2-CG 4.15Å; L155-L180 HydrophobicContact CD1-CD1 3.36Å; L155-L180 HydrophobicContact CD1-CG 3.96Å; L155-F242 HydrophobicContact CD1-CZ 4.37Å
156N91.2Very high91.9Very high30 Ų3040.4 Ų40.416%0.1621%0.214CC..  trans-88.6110.9176.9-175.1-11.6000111.3P154 N158 W161 Y173 F273 D275P154-N156 VanDerWaalsContact C-N 3.34Å; P154-N156 PolarHBondContact O-N 3.47Å; N156-N158 VanDerWaalsContact C-N 3.25Å; N156-N158 PolarHBondContact O-N 2.87Å; N156-N158 WeakPolarHBondContact OD1-CB 3.35Å; N156-N158 PolarHBondContact OD1-N 3.44Å; N156-W161 PolarHBondContact ND2-NE1 3.26Å; N156-W161 VanDerWaalsContact ND2-NE1 3.16Å; N156-Y173 WeakPolarHBondContact CA-OH 3.35Å; N156-Y173 WeakPolarHBondContact CB-OH 3.4Å; N156-Y173 PolarHBondContact N-OH 2.81Å; N156-Y173 WeakPolarHBondContact O-CE2 3.37Å; N156-Y173 PolarHBondContact O-OH 2.9Å; N156-F273 WeakPolarHBondContact CB-O 3.43Å; N156-F273 PolarHBondContact ND2-O 2.93Å; N156-D275 PolarHBondContact ND2-OD1 3.1Å; N156-D275 PolarHBondContact ND2-OD2 3.31Å
157L91.1Very high91.8Very high130 Ų13041 Ų4168%0.68122%0.219SC*.  trans-85.110.8-177.6-58.9-176.9000114.2P159 F162L157-P159 WeakPolarHBondContact O-CD 3.3Å; L157-F162 HydrophobicContact CD2-CZ 4.29Å
158N86.7Confident91.7Very high61 Ų6141.6 Ų41.633%0.32622%0.221SC..  trans-61.1122.1173.3-174.6-19.4000110.4N156 V160 W161 F162 D275N156-N158 VanDerWaalsContact C-N 3.25Å; N156-N158 PolarHBondContact O-N 2.87Å; N156-N158 WeakPolarHBondContact OD1-CB 3.35Å; N156-N158 PolarHBondContact OD1-N 3.44Å; N158-V160 HydrophobicContact CB-CG1 4.22Å; N158-V160 PolarHBondContact O-N 3.05Å; N158-V160 WeakPolarHBondContact OD1-CG1 3.32Å; N158-V160 PolarHBondContact OD1-N 3.19Å; N158-W161 PolarHBondContact O-N 3.42Å; N158-W161 VanDerWaalsContact O-N 3.11Å; N158-F162 WeakPolarHBondContact O-CD2 3.45Å; N158-D275 PolarHBondContact ND2-OD2 3.23Å
159P80.4Confident91.6Very high97 Ų9741.5 Ų41.563%0.6322%0.221SC*.THydrogen-bonded Turntrans-56.6-22-176.8-2835.9000115.1L157 W161 F162 K163L157-P159 WeakPolarHBondContact O-CD 3.3Å; P159-W161 PolarHBondContact O-N 2.96Å; P159-F162 PolarHBondContact O-N 2.85Å; P159-K163 PolarHBondContact O-N 3.03Å
160V81.8Confident91.6Very high73 Ų7346.4 Ų46.444%0.44225%0.245SC..Hα-helixtrans-54.6-37.4176.773.70000111.9N158 F162N158-V160 HydrophobicContact CB-CG1 4.22Å; N158-V160 PolarHBondContact O-N 3.05Å; N158-V160 WeakPolarHBondContact OD1-CG1 3.32Å; N158-V160 PolarHBondContact OD1-N 3.19Å; V160-F162 VanDerWaalsContact C-N 3.29Å; V160-F162 PolarHBondContact O-N 2.96Å
161W85.7Confident91.6Very high42 Ų4246.4 Ų46.416%0.15925%0.245CC..Hα-helixtrans-79.2-9.4-178.6-61.8121000114.3N156 N158 P159 H165 T169 F272 F273 L274 D275N156-W161 PolarHBondContact ND2-NE1 3.26Å; N156-W161 VanDerWaalsContact ND2-NE1 3.16Å; N158-W161 PolarHBondContact O-N 3.42Å; N158-W161 VanDerWaalsContact O-N 3.11Å; P159-W161 PolarHBondContact O-N 2.96Å; W161-H165 PolarHBondContact O-CE1 3.1Å; W161-T169 WeakPolarHBondContact O-CG2 3.1Å; W161-T169 PolarHBondContact O-OG1 3.11Å; W161-F272 HydrophobicContact CZ3-CB 4.37Å; W161-F272 HydrophobicContact CZ3-CD1 4.17Å; W161-F273 HydrophobicContact CB-CD1 3.9Å; W161-F273 HydrophobicContact CB-CE1 4.32Å; W161-F273 HydrophobicContact CD2-CD1 4.23Å; W161-F273 HydrophobicContact CE3-CD1 4.26Å; W161-F273 HydrophobicContact CG-CD1 4.07Å; W161-L274 WeakPolarHBondContact CZ2-O 3.49Å; W161-D275 PolarHBondContact NE1-OD1 3.27Å
162F88.9Confident91.6Very high59 Ų5946.2 Ų46.226%0.25924%0.244SC..Hα-helixtrans-100.6-33176.7-64.7-96.6000111.1L157 N158 P159 V160 N164 T166 T169 Y173L157-F162 HydrophobicContact CD2-CZ 4.29Å; N158-F162 WeakPolarHBondContact O-CD2 3.45Å; P159-F162 PolarHBondContact O-N 2.85Å; V160-F162 VanDerWaalsContact C-N 3.29Å; V160-F162 PolarHBondContact O-N 2.96Å; F162-N164 VanDerWaalsContact C-N 3.31Å; F162-N164 PolarHBondContact O-N 2.83Å; F162-N164 VanDerWaalsContact O-N 3.14Å; F162-T166 PolarHBondContact O-N 3.48Å; F162-T166 PolarHBondContact O-OG1 3.09Å; F162-T169 HydrophobicContact CD1-CG2 3.75Å; F162-T169 HydrophobicContact CD2-CG2 4.48Å; F162-T169 HydrophobicContact CE1-CG2 3.63Å; F162-T169 HydrophobicContact CE2-CG2 4.37Å; F162-T169 HydrophobicContact CG-CG2 4.19Å; F162-T169 HydrophobicContact CZ-CG2 3.96Å; F162-Y173 HydrophobicContact CE1-CD2 4.42Å; F162-Y173 HydrophobicContact CE1-CE2 4.42Å; F162-Y173 HydrophobicContact CE2-CE2 4.13Å; F162-Y173 AromaticContact CZ-CD2 3.92Å; F162-Y173 HydrophobicContact CZ-CD2 3.92Å; F162-Y173 AromaticContact CZ-CE2 3.57Å; F162-Y173 HydrophobicContact CZ-CE2 3.57Å
163K76.6Confident91.6Very high133 Ų13346.4 Ų46.458%0.57825%0.245SC*.Hα-helixtrans-49.9-44-169.9-174.9-175.4174.2-176.10114.6P159P159-K163 PolarHBondContact O-N 3.03Å
164N76Confident91.6Very high70 Ų7046.7 Ų46.737%0.37425%0.247SC..THydrogen-bonded Turntrans-102.2-18.5-166.4-64.2-23.3000114.5T108 F162T108-N164 CarbonylContact C-O 3.54Å; F162-N164 VanDerWaalsContact C-N 3.31Å; F162-N164 PolarHBondContact O-N 2.83Å; F162-N164 VanDerWaalsContact O-N 3.14Å
165H90.4Very high91.6Very high13 Ų1345.2 Ų45.26%0.0624%0.238CC..THydrogen-bonded Turntrans-155.149.2-171.649.163.6000112.2L107 W161 A167 Y168 T169 F273L107-H165 HydrophobicContact CD2-CB 4.09Å; W161-H165 PolarHBondContact O-CE1 3.1Å; H165-A167 VanDerWaalsContact C-N 3.27Å; H165-A167 PolarHBondContact O-N 3.19Å; H165-A167 VanDerWaalsContact O-N 3.12Å; H165-Y168 PolarHBondContact O-N 3.43Å; H165-T169 PolarHBondContact CE1-OG1 3.12Å; H165-T169 PolarHBondContact ND1-OG1 2.89Å; H165-T169 PolarHBondContact O-N 2.76Å; H165-T169 PolarHBondContact O-OG1 3.07Å; H165-F273 AromaticContact CE1-CE1 3.94Å
166T95.9Very high91.7Very high45 Ų4543 Ų4328%0.27623%0.226SC..Hα-helixtrans-45.6-46.8-175.4-500000113.6F162 Y168 T169 M170F162-T166 PolarHBondContact O-N 3.48Å; F162-T166 PolarHBondContact O-OG1 3.09Å; T166-Y168 PolarHBondContact O-N 2.91Å; T166-T169 PolarHBondContact O-N 3.3Å; T166-M170 HydrophobicContact CG2-CG 4.39Å; T166-M170 HydrophobicContact CG2-SD 3.96Å; T166-M170 WeakPolarHBondContact O-CB 3.26Å; T166-M170 VanDerWaalsContact O-CG 3.27Å; T166-M170 WeakPolarHBondContact O-CG 3.02Å; T166-M170 PolarHBondContact O-N 3.22Å
167A96.9Very high92.1Very high17 Ų1746.7 Ų46.714%0.1424%0.243CC..Hα-helixtrans-64.3-38.7-177.600000112.7T113 V118 M121 H165 A171T113-A167 HydrophobicContact CG2-CB 4.44Å; V118-A167 HydrophobicContact CG2-CB 4.18Å; M121-A167 HydrophobicContact CE-CB 3.59Å; H165-A167 VanDerWaalsContact C-N 3.27Å; H165-A167 PolarHBondContact O-N 3.19Å; H165-A167 VanDerWaalsContact O-N 3.12Å; A167-A171 WeakPolarHBondContact O-CB 3.22Å; A167-A171 PolarHBondContact O-N 2.93Å; A167-A171 VanDerWaalsContact O-N 3.08Å
168Y97.4Very high92.5Very high15 Ų1541 Ų416%0.05922%0.215CC..Hα-helixtrans-70.2-43.2175.8176.9-115.3000111.4I105 L107 M121 H165 T166 M170 A171 K172 F273I105-Y168 HydrophobicContact CB-CD2 4.14Å; I105-Y168 HydrophobicContact CB-CE2 3.75Å; I105-Y168 HydrophobicContact CD1-CE1 3.94Å; I105-Y168 HydrophobicContact CD1-CE2 3.95Å; I105-Y168 HydrophobicContact CG1-CD1 4.42Å; I105-Y168 HydrophobicContact CG1-CD2 3.86Å; I105-Y168 HydrophobicContact CG1-CE1 4.22Å; I105-Y168 HydrophobicContact CG1-CE2 3.62Å; I105-Y168 HydrophobicContact CG1-CG 4.26Å; L107-Y168 HydrophobicContact CD2-CD1 3.73Å; L107-Y168 HydrophobicContact CD2-CE1 4.18Å; L107-Y168 HydrophobicContact CD2-CG 4.3Å; M121-Y168 HydrophobicContact SD-CD2 3.92Å; M121-Y168 HydrophobicContact SD-CG 4.33Å; H165-Y168 PolarHBondContact O-N 3.43Å; T166-Y168 PolarHBondContact O-N 2.91Å; Y168-M170 PolarHBondContact O-N 2.87Å; Y168-A171 WeakPolarHBondContact O-CB 3.27Å; Y168-A171 PolarHBondContact O-N 2.84Å; Y168-A171 VanDerWaalsContact O-N 3.11Å; Y168-K172 HydrophobicContact CD2-CG 4.11Å; Y168-K172 HydrophobicContact CE1-CG 4.06Å; Y168-K172 HydrophobicContact CE2-CD 3.88Å; Y168-K172 HydrophobicContact CE2-CG 3.51Å; Y168-K172 VanDerWaalsContact CZ-CG 3.47Å; Y168-K172 PolarHBondContact O-N 2.98Å; Y168-F273 HydrophobicContact CD1-CZ 4.03Å; Y168-F273 AromaticContact CE1-CE2 3.98Å; Y168-F273 HydrophobicContact CE1-CE2 3.98Å; Y168-F273 AromaticContact CE1-CZ 3.78Å; Y168-F273 HydrophobicContact CE1-CZ 3.78Å
169T96.3Very high93.1Very high0 Ų038.1 Ų38.10%020%0.199CC..Hα-helixtrans-57.8-48.8175.9-52.70000110.7W161 F162 H165 T166 A171 K172 Y173 F273W161-T169 WeakPolarHBondContact O-CG2 3.1Å; W161-T169 PolarHBondContact O-OG1 3.11Å; F162-T169 HydrophobicContact CD1-CG2 3.75Å; F162-T169 HydrophobicContact CD2-CG2 4.48Å; F162-T169 HydrophobicContact CE1-CG2 3.63Å; F162-T169 HydrophobicContact CE2-CG2 4.37Å; F162-T169 HydrophobicContact CG-CG2 4.19Å; F162-T169 HydrophobicContact CZ-CG2 3.96Å; H165-T169 PolarHBondContact CE1-OG1 3.12Å; H165-T169 PolarHBondContact ND1-OG1 2.89Å; H165-T169 PolarHBondContact O-N 2.76Å; H165-T169 PolarHBondContact O-OG1 3.07Å; T166-T169 PolarHBondContact O-N 3.3Å; T169-A171 VanDerWaalsContact C-N 3.31Å; T169-A171 PolarHBondContact O-N 2.86Å; T169-K172 PolarHBondContact O-N 3.23Å; T169-Y173 HydrophobicContact CG2-CD1 4.18Å; T169-Y173 HydrophobicContact CG2-CD2 4.28Å; T169-Y173 HydrophobicContact CG2-CE1 4.09Å; T169-Y173 HydrophobicContact CG2-CE2 4.19Å; T169-Y173 HydrophobicContact CG2-CG 4.27Å; T169-Y173 VanDerWaalsContact O-CB 3.25Å; T169-Y173 WeakPolarHBondContact O-CB 3.39Å; T169-Y173 PolarHBondContact O-N 3.48Å; T169-F273 HydrophobicContact CG2-CE1 3.9Å
170M98.6Very high93.9Very high103 Ų10337.8 Ų37.851%0.50719%0.192SC..Hα-helixtrans-56.6-44.1174.2-72.3170.96300112.1T166 Y168 G174T166-M170 HydrophobicContact CG2-CG 4.39Å; T166-M170 HydrophobicContact CG2-SD 3.96Å; T166-M170 WeakPolarHBondContact O-CB 3.26Å; T166-M170 VanDerWaalsContact O-CG 3.27Å; T166-M170 WeakPolarHBondContact O-CG 3.02Å; T166-M170 PolarHBondContact O-N 3.22Å; Y168-M170 PolarHBondContact O-N 2.87Å; M170-G174 PolarHBondContact O-N 3.33Å
171A98.6Very high94.7Very high0 Ų036.2 Ų36.20%019%0.191CC..Hα-helixtrans-65.2-43.1-178.700000112.8M121 L122 N125 A167 Y168 T169M121-A171 HydrophobicContact CB-CB 3.81Å; L122-A171 HydrophobicContact CD2-CB 4.01Å; N125-A171 HydrophobicContact CB-CB 4.01Å; N125-A171 WeakPolarHBondContact CB-O 3.27Å; A167-A171 WeakPolarHBondContact O-CB 3.22Å; A167-A171 PolarHBondContact O-N 2.93Å; A167-A171 VanDerWaalsContact O-N 3.08Å; Y168-A171 WeakPolarHBondContact O-CB 3.27Å; Y168-A171 PolarHBondContact O-N 2.84Å; Y168-A171 VanDerWaalsContact O-N 3.11Å; T169-A171 VanDerWaalsContact C-N 3.31Å; T169-A171 PolarHBondContact O-N 2.86Å
172K98.5Very high95.4Very high5 Ų534.6 Ų34.62%0.02219%0.185CC..Hα-helixtrans-73.8-40.9176.9-69.4-58.8-59.5-1790112.4S103 L151 P153 Y168 T169 G174 M175 S176 W196S103-K172 PolarHBondContact OG-NZ 3.4Å; L151-K172 PolarHBondContact O-NZ 3.07Å; P153-K172 HydrophobicContact CG-CB 4.27Å; Y168-K172 HydrophobicContact CD2-CG 4.11Å; Y168-K172 HydrophobicContact CE1-CG 4.06Å; Y168-K172 HydrophobicContact CE2-CD 3.88Å; Y168-K172 HydrophobicContact CE2-CG 3.51Å; Y168-K172 VanDerWaalsContact CZ-CG 3.47Å; Y168-K172 PolarHBondContact O-N 2.98Å; T169-K172 PolarHBondContact O-N 3.23Å; K172-G174 PolarHBondContact O-N 2.72Å; K172-M175 HydrophobicContact CD-SD 4.06Å; K172-M175 PolarHBondContact NZ-SD 2.99Å; K172-M175 VanDerWaalsContact NZ-SD 3.38Å; K172-M175 WeakPolarHBondContact O-CB 3.48Å; K172-M175 PolarHBondContact O-N 3.46Å; K172-M175 VanDerWaalsContact O-N 3.14Å; K172-S176 PolarHBondContact O-N 2.94Å; K172-W196 VanDerWaalsContact CE-CZ3 3.45Å
173Y98.8Very high95.8Very high5 Ų531.8 Ų31.82%0.0217%0.173CC..Hα-helixtrans-67.7-29.9177.6-80.125.5000111.2P153 L155 N156 F162 T169 M175 S176 M177 F273P153-Y173 HydrophobicContact CG-CD1 3.85Å; P153-Y173 HydrophobicContact CG-CE1 3.73Å; L155-Y173 HydrophobicContact CD2-CD1 4.36Å; L155-Y173 HydrophobicContact CD2-CD2 3.66Å; L155-Y173 HydrophobicContact CD2-CE2 4.36Å; L155-Y173 HydrophobicContact CD2-CG 3.66Å; N156-Y173 WeakPolarHBondContact CA-OH 3.35Å; N156-Y173 WeakPolarHBondContact CB-OH 3.4Å; N156-Y173 PolarHBondContact N-OH 2.81Å; N156-Y173 WeakPolarHBondContact O-CE2 3.37Å; N156-Y173 PolarHBondContact O-OH 2.9Å; F162-Y173 HydrophobicContact CE1-CD2 4.42Å; F162-Y173 HydrophobicContact CE1-CE2 4.42Å; F162-Y173 HydrophobicContact CE2-CE2 4.13Å; F162-Y173 AromaticContact CZ-CD2 3.92Å; F162-Y173 HydrophobicContact CZ-CD2 3.92Å; F162-Y173 AromaticContact CZ-CE2 3.57Å; F162-Y173 HydrophobicContact CZ-CE2 3.57Å; T169-Y173 HydrophobicContact CG2-CD1 4.18Å; T169-Y173 HydrophobicContact CG2-CD2 4.28Å; T169-Y173 HydrophobicContact CG2-CE1 4.09Å; T169-Y173 HydrophobicContact CG2-CE2 4.19Å; T169-Y173 HydrophobicContact CG2-CG 4.27Å; T169-Y173 VanDerWaalsContact O-CB 3.25Å; T169-Y173 WeakPolarHBondContact O-CB 3.39Å; T169-Y173 PolarHBondContact O-N 3.48Å; Y173-M175 VanDerWaalsContact C-N 3.31Å; Y173-M175 PolarHBondContact O-N 3.29Å; Y173-S176 CarbonylContact O-C 3.54Å; Y173-S176 WeakPolarHBondContact O-CA 3.41Å; Y173-S176 WeakPolarHBondContact O-CB 3.46Å; Y173-S176 PolarHBondContact O-N 2.92Å; Y173-S176 VanDerWaalsContact O-N 3.1Å; Y173-M177 VanDerWaalsContact O-CG 3.31Å; Y173-M177 WeakPolarHBondContact O-CG 3.47Å; Y173-M177 PolarHBondContact O-N 3.25Å; Y173-F273 HydrophobicContact CE1-CB 4.31Å; Y173-F273 AromaticContact CE1-CD1 3.67Å; Y173-F273 HydrophobicContact CE1-CD1 3.67Å; Y173-F273 HydrophobicContact CE1-CE1 4.11Å; Y173-F273 AromaticContact CE1-CG 3.92Å; Y173-F273 HydrophobicContact CE1-CG 3.92Å
174G98.9Very high96.9Very high5 Ų530.7 Ų30.75%0.05217%0.17CC..Hα-helixtrans-56.4-42.5170.100000113.1L126 M170 K172 S176 M177 C178L126-G174 WeakPolarHBondContact CD1-O 3.45Å; M170-G174 PolarHBondContact O-N 3.33Å; K172-G174 PolarHBondContact O-N 2.72Å; G174-S176 VanDerWaalsContact C-N 3.31Å; G174-S176 PolarHBondContact O-N 3.09Å; G174-M177 PolarHBondContact O-N 2.87Å; G174-C178 PolarHBondContact O-N 3.23Å; G174-C178 PolarHBondContact O-SG 3.46Å; G174-C178 VanDerWaalsContact O-SG 3.36Å
175M98.9Very high98Very high0 Ų033.6 Ų33.60%018%0.181CC..Hα-helixtrans-61.7-40.5174.1-60.7171.36700111.8N125 T129 N150 K172 Y173 C178 V179N125-M175 HydrophobicContact CB-CG 4.16Å; N125-M175 HydrophobicContact CB-SD 3.78Å; N125-M175 WeakPolarHBondContact O-CG 3.5Å; T129-M175 HydrophobicContact CG2-CB 4.42Å; T129-M175 HydrophobicContact CG2-CG 4.43Å; N150-M175 PolarHBondContact ND2-O 2.74Å; K172-M175 HydrophobicContact CD-SD 4.06Å; K172-M175 PolarHBondContact NZ-SD 2.99Å; K172-M175 VanDerWaalsContact NZ-SD 3.38Å; K172-M175 WeakPolarHBondContact O-CB 3.48Å; K172-M175 PolarHBondContact O-N 3.46Å; K172-M175 VanDerWaalsContact O-N 3.14Å; Y173-M175 VanDerWaalsContact C-N 3.31Å; Y173-M175 PolarHBondContact O-N 3.29Å; M175-C178 WeakPolarHBondContact O-CB 3.21Å; M175-C178 PolarHBondContact O-N 2.66Å; M175-V179 PolarHBondContact O-N 3.25Å
176S98.9Very high98.4Very high0 Ų034.1 Ų34.10%018%0.183CC..Hα-helixtrans-70.5-34177.8-66.50000112.6S152 P153 K172 Y173 G174 C178 V179 L180 F242S152-S176 VanDerWaalsContact CB-OG 3.22Å; S152-S176 WeakPolarHBondContact CB-OG 3.45Å; S152-S176 PolarHBondContact OG-N 3.08Å; S152-S176 PolarHBondContact OG-OG 3.44Å; P153-S176 WeakPolarHBondContact O-CB 3.43Å; P153-S176 PolarHBondContact O-OG 3.09Å; K172-S176 PolarHBondContact O-N 2.94Å; Y173-S176 CarbonylContact O-C 3.54Å; Y173-S176 WeakPolarHBondContact O-CA 3.41Å; Y173-S176 WeakPolarHBondContact O-CB 3.46Å; Y173-S176 PolarHBondContact O-N 2.92Å; Y173-S176 VanDerWaalsContact O-N 3.1Å; G174-S176 VanDerWaalsContact C-N 3.31Å; G174-S176 PolarHBondContact O-N 3.09Å; S176-C178 VanDerWaalsContact C-N 3.3Å; S176-C178 PolarHBondContact O-N 3.35Å; S176-V179 WeakPolarHBondContact O-CA 3.41Å; S176-V179 VanDerWaalsContact O-CB 3.3Å; S176-V179 WeakPolarHBondContact O-CB 3.27Å; S176-V179 PolarHBondContact O-N 2.65Å; S176-L180 PolarHBondContact O-N 2.97Å; S176-F242 WeakPolarHBondContact O-CE1 3.41Å; S176-F242 WeakPolarHBondContact O-CZ 3.45Å
177M98.9Very high98.5Very high107 Ų10738 Ų3853%0.52719%0.192SC..Hα-helixtrans-67.2-31.6171.5-70.7173.1-177.700111.7L155 Y173 G174 V179 L180 G181L155-M177 HydrophobicContact CD1-CG 4.16Å; L155-M177 HydrophobicContact CD2-CE 4.33Å; L155-M177 HydrophobicContact CD2-CG 4.15Å; Y173-M177 VanDerWaalsContact O-CG 3.31Å; Y173-M177 WeakPolarHBondContact O-CG 3.47Å; Y173-M177 PolarHBondContact O-N 3.25Å; G174-M177 PolarHBondContact O-N 2.87Å; M177-V179 VanDerWaalsContact C-N 3.25Å; M177-V179 PolarHBondContact O-N 2.8Å; M177-L180 PolarHBondContact O-N 2.87Å; M177-G181 PolarHBondContact O-N 2.98Å; M177-G181 VanDerWaalsContact O-N 3.08Å
178C98.9Very high98.5Very high12 Ų1239 Ų398%0.08120%0.204CC..Hα-helixtrans-61.3-35.5168.3-63.20000111.8T129 G174 M175 S176 M182T129-C178 HydrophobicContact CG2-CB 4.39Å; G174-C178 PolarHBondContact O-N 3.23Å; G174-C178 PolarHBondContact O-SG 3.46Å; G174-C178 VanDerWaalsContact O-SG 3.36Å; M175-C178 WeakPolarHBondContact O-CB 3.21Å; M175-C178 PolarHBondContact O-N 2.66Å; S176-C178 VanDerWaalsContact C-N 3.3Å; S176-C178 PolarHBondContact O-N 3.35Å; C178-M182 HydrophobicContact CB-CE 4.19Å; C178-M182 HydrophobicContact CB-SD 4.24Å; C178-M182 WeakPolarHBondContact O-CB 3.32Å; C178-M182 VanDerWaalsContact O-CG 3.26Å; C178-M182 WeakPolarHBondContact O-CG 3.38Å; C178-M182 PolarHBondContact O-N 3.38Å
179V98.9Very high98.6Very high0 Ų043.1 Ų43.10%022%0.224CC..Hα-helixtrans-63.2-49.5174.8176.60000110.8N150 M175 S176 M177 G181 A183 V192 A194 F242N150-V179 HydrophobicContact CB-CG2 3.83Å; N150-V179 WeakPolarHBondContact ND2-CG2 3.31Å; M175-V179 PolarHBondContact O-N 3.25Å; S176-V179 WeakPolarHBondContact O-CA 3.41Å; S176-V179 VanDerWaalsContact O-CB 3.3Å; S176-V179 WeakPolarHBondContact O-CB 3.27Å; S176-V179 PolarHBondContact O-N 2.65Å; M177-V179 VanDerWaalsContact C-N 3.25Å; M177-V179 PolarHBondContact O-N 2.8Å; V179-G181 VanDerWaalsContact C-N 3.35Å; V179-G181 PolarHBondContact O-N 2.72Å; V179-A183 WeakPolarHBondContact O-CB 3.39Å; V179-A183 PolarHBondContact O-N 2.85Å; V179-V192 HydrophobicContact CB-CG1 4.34Å; V179-V192 HydrophobicContact CG1-CG1 4.25Å; V179-V192 HydrophobicContact CG2-CG1 4.24Å; V179-A194 HydrophobicContact CG2-CB 4.04Å; V179-F242 HydrophobicContact CB-CE1 4.06Å; V179-F242 HydrophobicContact CB-CZ 4.01Å; V179-F242 HydrophobicContact CG1-CE1 4.23Å; V179-F242 HydrophobicContact CG1-CZ 4.01Å
180L98.3Very high98.7Very high89 Ų8943.1 Ų43.147%0.46622%0.224SC..Hα-helixtrans-53.8-50.6176.8-74.6-177.5000112.2L155 S176 M177 F242L155-L180 HydrophobicContact CD1-CD1 3.36Å; L155-L180 HydrophobicContact CD1-CG 3.96Å; S176-L180 PolarHBondContact O-N 2.97Å; M177-L180 PolarHBondContact O-N 2.87Å; L180-F242 HydrophobicContact CD2-CE2 3.65Å; L180-F242 HydrophobicContact CD2-CZ 3.89Å; L180-F242 HydrophobicContact CG-CE2 4.15Å; L180-F242 HydrophobicContact CG-CZ 3.86Å
181G98.8Very high98.7Very high41 Ų4138.2 Ų38.242%0.42320%0.2SC..Hα-helixtrans-67.7-53.7-177.300000112.7M177 V179 A183 E184 E185M177-G181 PolarHBondContact O-N 2.98Å; M177-G181 VanDerWaalsContact O-N 3.08Å; V179-G181 VanDerWaalsContact C-N 3.35Å; V179-G181 PolarHBondContact O-N 2.72Å; G181-A183 PolarHBondContact O-N 3.42Å; G181-E184 PolarHBondContact O-N 2.7Å; G181-E185 WeakPolarHBondContact O-CB 3.39Å; G181-E185 PolarHBondContact O-N 3Å
182M98.9Very high98.7Very high8 Ų838.2 Ų38.24%0.03920%0.2CC..Hα-helixtrans-71.6-29.7-172.7-64.2173.8-178.900112.5Y130 C178 E184 E185 F186 V192Y130-M182 HydrophobicContact CD2-CE 3.65Å; Y130-M182 HydrophobicContact CE2-CE 3.98Å; Y130-M182 HydrophobicContact CG-CE 4.33Å; C178-M182 HydrophobicContact CB-CE 4.19Å; C178-M182 HydrophobicContact CB-SD 4.24Å; C178-M182 WeakPolarHBondContact O-CB 3.32Å; C178-M182 VanDerWaalsContact O-CG 3.26Å; C178-M182 WeakPolarHBondContact O-CG 3.38Å; C178-M182 PolarHBondContact O-N 3.38Å; M182-E184 VanDerWaalsContact C-N 3.31Å; M182-E184 PolarHBondContact O-N 3.11Å; M182-E185 PolarHBondContact O-N 3.3Å; M182-F186 HydrophobicContact CB-CD2 4.15Å; M182-F186 HydrophobicContact CB-CE2 4.39Å; M182-F186 HydrophobicContact CG-CE2 4.46Å; M182-F186 VanDerWaalsContact O-CD2 3.29Å; M182-F186 WeakPolarHBondContact O-CD2 3.13Å; M182-F186 PolarHBondContact O-N 2.91Å; M182-V192 HydrophobicContact CB-CG1 4.12Å; M182-V192 HydrophobicContact CB-CG2 4.08Å
183A98.9Very high98.8Very high0 Ų038 Ų380%020%0.199CC..Hα-helixtrans-61.9-39.8175.500000112.1V179 G181 R187 V192V179-A183 WeakPolarHBondContact O-CB 3.39Å; V179-A183 PolarHBondContact O-N 2.85Å; G181-A183 PolarHBondContact O-N 3.42Å; A183-R187 WeakPolarHBondContact O-CA 3.38Å; A183-R187 PolarHBondContact O-N 2.83Å; A183-V192 HydrophobicContact CB-CB 4.08Å
184E98.8Very high98.8Very high110 Ų11037.8 Ų37.851%0.51420%0.198SC..Hα-helixtrans-76.5-44.7175.7-62.6-54150.600112G181 M182 F186 R187G181-E184 PolarHBondContact O-N 2.7Å; M182-E184 VanDerWaalsContact C-N 3.31Å; M182-E184 PolarHBondContact O-N 3.11Å; E184-F186 PolarHBondContact O-N 3.37Å; E184-R187 WeakPolarHBondContact O-CB 3.35Å; E184-R187 PolarHBondContact O-N 3.47Å; E184-R187 IonicContact OE1-CZ 2.72Å; E184-R187 IonicContact OE1-NE 2.69Å; E184-R187 IonicContact OE1-NH2 2.91Å; E184-R187 PolarHBondContact OE1-NH2 2.98Å; E184-R187 IonicContact OE2-CZ 3.17Å; E184-R187 IonicContact OE2-NE 3.79Å; E184-R187 PolarHBondContact OE2-NE 2.79Å; E184-R187 IonicContact OE2-NH2 2.7Å; E184-R187 PolarHBondContact OE2-NH2 2.95Å; E184-R187 VanDerWaalsContact OE2-NH2 3.07Å
185E98.9Very high98.8Very high130 Ų13037.5 Ų37.561%0.60720%0.196SC*.Hα-helixtrans-56.6-38.1179.8-173-180-178.900112.1G181 M182G181-E185 WeakPolarHBondContact O-CB 3.39Å; G181-E185 PolarHBondContact O-N 3Å; M182-E185 PolarHBondContact O-N 3.3Å
186F98.8Very high98.8Very high24 Ų2438.4 Ų38.411%0.10520%0.199CC..THydrogen-bonded Turntrans-111.422.7-177.9-57.5-71000113.6I137 L141 M182 E184 G188 Q189 I190I137-F186 HydrophobicContact CD1-CD2 4.3Å; I137-F186 HydrophobicContact CD1-CE2 3.56Å; I137-F186 HydrophobicContact CD1-CZ 3.85Å; I137-F186 HydrophobicContact CG1-CE2 4.35Å; I137-F186 HydrophobicContact CG1-CZ 4.48Å; I137-F186 HydrophobicContact CG2-CD1 4.44Å; I137-F186 HydrophobicContact CG2-CE1 3.78Å; I137-F186 HydrophobicContact CG2-CE2 4.43Å; I137-F186 HydrophobicContact CG2-CZ 3.79Å; L141-F186 HydrophobicContact CD2-CD1 4.31Å; M182-F186 HydrophobicContact CB-CD2 4.15Å; M182-F186 HydrophobicContact CB-CE2 4.39Å; M182-F186 HydrophobicContact CG-CE2 4.46Å; M182-F186 VanDerWaalsContact O-CD2 3.29Å; M182-F186 WeakPolarHBondContact O-CD2 3.13Å; M182-F186 PolarHBondContact O-N 2.91Å; E184-F186 PolarHBondContact O-N 3.37Å; F186-G188 PolarHBondContact O-N 3.49Å; F186-Q189 WeakPolarHBondContact O-CA 3.46Å; F186-Q189 WeakPolarHBondContact O-CB 3.22Å; F186-Q189 PolarHBondContact O-N 3.03Å; F186-I190 HydrophobicContact CB-CB 3.9Å; F186-I190 HydrophobicContact CB-CD1 4.18Å; F186-I190 HydrophobicContact CB-CG1 4.11Å; F186-I190 HydrophobicContact CD1-CD1 4.18Å; F186-I190 HydrophobicContact CG-CD1 4.04Å; F186-I190 PolarHBondContact O-N 3.04Å
187R98.5Very high98.7Very high127 Ų12738.7 Ų38.748%0.47920%0.201SC..THydrogen-bonded Turntrans-53.5131.1-179.7-174.3171.8-75.9-78.50.2111.5A183 E184 Q189A183-R187 WeakPolarHBondContact O-CA 3.38Å; A183-R187 PolarHBondContact O-N 2.83Å; E184-R187 WeakPolarHBondContact O-CB 3.35Å; E184-R187 PolarHBondContact O-N 3.47Å; E184-R187 IonicContact OE1-CZ 2.72Å; E184-R187 IonicContact OE1-NE 2.69Å; E184-R187 IonicContact OE1-NH2 2.91Å; E184-R187 PolarHBondContact OE1-NH2 2.98Å; E184-R187 IonicContact OE2-CZ 3.17Å; E184-R187 IonicContact OE2-NE 3.79Å; E184-R187 PolarHBondContact OE2-NE 2.79Å; E184-R187 IonicContact OE2-NH2 2.7Å; E184-R187 PolarHBondContact OE2-NH2 2.95Å; E184-R187 VanDerWaalsContact OE2-NH2 3.07Å; R187-Q189 PolarHBondContact O-N 2.81Å
188G97.6Very high98.6Very high38 Ų3836 Ų3639%0.39219%0.185SC..THydrogen-bonded Turntrans75.5-5.5-176.400000115.1F186 K236F186-G188 PolarHBondContact O-N 3.49Å; G188-K236 WeakPolarHBondContact O-CD 3.48Å; G188-K236 WeakPolarHBondContact O-CE 3.29Å; G188-K236 PolarHBondContact O-NZ 3.41Å
189Q98.6Very high98.4Very high101 Ų10135.9 Ų35.947%0.47218%0.184SC..THydrogen-bonded Turntrans-110.5-46.8178.8-60.7179.783.100111.6L141 P146 F186 R187L141-Q189 HydrophobicContact CD2-CB 3.89Å; P146-Q189 WeakPolarHBondContact CG-O 3.23Å; F186-Q189 WeakPolarHBondContact O-CA 3.46Å; F186-Q189 WeakPolarHBondContact O-CB 3.22Å; F186-Q189 PolarHBondContact O-N 3.03Å; R187-Q189 PolarHBondContact O-N 2.81Å
190I98.9Very high98Very high0 Ų036.1 Ų36.10%019%0.186CC..  trans-135.6133.2-178.3-53.1175.5000109I137 L140 L141 P146 I148 F186 V192I137-I190 HydrophobicContact CB-CD1 4.45Å; I137-I190 HydrophobicContact CG1-CD1 4.12Å; I137-I190 HydrophobicContact CG2-CD1 4.08Å; L140-I190 HydrophobicContact CB-CD1 3.78Å; L140-I190 HydrophobicContact CB-CG1 4.2Å; L140-I190 HydrophobicContact CD1-CD1 4.33Å; L140-I190 HydrophobicContact CD1-CG2 4.14Å; L141-I190 HydrophobicContact CD2-CD1 3.86Å; L141-I190 HydrophobicContact CD2-CG1 4.03Å; L141-I190 HydrophobicContact CG-CD1 4.15Å; P146-I190 HydrophobicContact CB-CB 4.34Å; P146-I190 HydrophobicContact CB-CG1 4.13Å; P146-I190 HydrophobicContact CB-CG2 4.22Å; I148-I190 HydrophobicContact CD1-CG2 4.3Å; I148-I190 HydrophobicContact CG1-CG2 4.03Å; F186-I190 HydrophobicContact CB-CB 3.9Å; F186-I190 HydrophobicContact CB-CD1 4.18Å; F186-I190 HydrophobicContact CB-CG1 4.11Å; F186-I190 HydrophobicContact CD1-CD1 4.18Å; F186-I190 HydrophobicContact CG-CD1 4.04Å; F186-I190 PolarHBondContact O-N 3.04Å; I190-V192 HydrophobicContact CG2-CG2 4.08Å
191A98.9Very high98Very high0 Ų032.4 Ų32.40%017%0.166CC..EExtended strand (participates in β ladder)trans-79.8122.9168.600000110.1P146 H147 I148 Y238P146-A191 PolarHBondContact O-N 3.03Å; H147-A191 CarbonylContact C-O 3.54Å; H147-A191 VanDerWaalsContact CA-O 3.28Å; H147-A191 WeakPolarHBondContact CA-O 3.45Å; H147-A191 WeakPolarHBondContact ND1-CB 3.45Å; I148-A191 PolarHBondContact N-O 2.98Å; A191-Y238 VanDerWaalsContact CB-O 3.3Å; A191-Y238 WeakPolarHBondContact CB-O 3.24Å
192V98.9Very high97.8Very high0 Ų033 Ų330%016%0.159CC..EExtended strand (participates in β ladder)trans-122.6117177.6-172.30000108.4I148 V179 M182 A183 I190 T239 G240I148-V192 HydrophobicContact CB-CB 4.41Å; I148-V192 HydrophobicContact CB-CG1 4.05Å; I148-V192 HydrophobicContact CB-CG2 4.14Å; I148-V192 HydrophobicContact CD1-CG2 4.17Å; I148-V192 HydrophobicContact CG1-CG2 4.4Å; I148-V192 HydrophobicContact CG2-CG1 4.16Å; I148-V192 WeakPolarHBondContact O-CA 3.38Å; V179-V192 HydrophobicContact CB-CG1 4.34Å; V179-V192 HydrophobicContact CG1-CG1 4.25Å; V179-V192 HydrophobicContact CG2-CG1 4.24Å; M182-V192 HydrophobicContact CB-CG1 4.12Å; M182-V192 HydrophobicContact CB-CG2 4.08Å; A183-V192 HydrophobicContact CB-CB 4.08Å; I190-V192 HydrophobicContact CG2-CG2 4.08Å; V192-T239 PolarHBondContact N-OG1 3.48Å; V192-T239 PolarHBondContact O-OG1 2.56Å; V192-G240 PolarHBondContact O-N 3.07Å
193N98.9Very high97.4Very high1 Ų134 Ų341%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-137.2162.1-178.1-59.8-69.9000111.1I148 L149 N150 V231 Y238 T239 G240 H241 L243I148-N193 PolarHBondContact O-N 3.3Å; L149-N193 WeakPolarHBondContact CA-O 3.5Å; L149-N193 HydrophobicContact CD1-CB 4.24Å; N150-N193 PolarHBondContact N-O 3.45Å; N193-V231 HydrophobicContact CB-CG1 4.45Å; N193-Y238 PolarHBondContact ND2-O 3.38Å; N193-T239 VanDerWaalsContact OD1-CA 3.32Å; N193-T239 WeakPolarHBondContact OD1-CA 3.49Å; N193-G240 PolarHBondContact OD1-N 3.33Å; N193-H241 WeakPolarHBondContact CA-O 3.37Å; N193-H241 WeakPolarHBondContact OD1-CB 3.37Å; N193-H241 PolarHBondContact OD1-CD2 2.77Å; N193-H241 PolarHBondContact OD1-N 3.31Å; N193-L243 HydrophobicContact CB-CD1 4.37Å
194A98.9Very high96.7Very high0 Ų035.2 Ų35.20%018%0.175CC..EExtended strand (participates in β ladder)trans-106.7148.5167.600000110.7N150 S152 V179 H241 F242 L243N150-A194 CarbonylContact O-C 3.54Å; N150-A194 WeakPolarHBondContact O-CA 3.21Å; S152-A194 WeakPolarHBondContact O-CB 3.32Å; V179-A194 HydrophobicContact CG2-CB 4.04Å; A194-H241 PolarHBondContact N-O 2.63Å; A194-F242 HydrophobicContact CB-CD1 3.52Å; A194-F242 HydrophobicContact CB-CE1 3.91Å; A194-F242 HydrophobicContact CB-CG 4.37Å; A194-L243 WeakPolarHBondContact O-CB 3.08Å; A194-L243 PolarHBondContact O-N 3.33Å
195L98.9Very high95.8Very high0 Ų032.4 Ų32.40%017%0.171CC..EExtended strand (participates in β ladder)trans-133.3134.3171.1178.767.6000110.1L149 N150 L151 S152 M224 A227 A228 L243 V248L149-L195 HydrophobicContact CD1-CB 3.9Å; L149-L195 HydrophobicContact CD2-CB 4.43Å; L149-L195 HydrophobicContact CD2-CD2 4.26Å; L149-L195 HydrophobicContact CG-CB 4.34Å; N150-L195 PolarHBondContact O-N 2.87Å; L151-L195 CarbonylContact C-O 3.5Å; L151-L195 WeakPolarHBondContact CA-O 3.48Å; L151-L195 HydrophobicContact CD1-CB 4.46Å; S152-L195 PolarHBondContact N-O 3.24Å; L195-M224 HydrophobicContact CD2-CE 3.97Å; L195-M224 HydrophobicContact CG-CE 3.81Å; L195-A227 HydrophobicContact CD1-CB 4.08Å; L195-A227 HydrophobicContact CD2-CB 3.97Å; L195-A228 HydrophobicContact CD2-CB 3.9Å; L195-L243 CarbonylContact C-O 3.28Å; L195-L243 WeakPolarHBondContact CA-O 3.42Å; L195-L243 HydrophobicContact CD1-CB 3.93Å; L195-V248 HydrophobicContact CD1-CG2 4.38Å
196W98.7Very high95.1Very high18 Ų1827.4 Ų27.47%0.06815%0.147CC..EExtended strand (participates in β ladder)trans-134.7146-177.3-159.3-113.4000111.8S152 P153 K172 L243 V244 D245 D271 F272 F273S152-W196 VanDerWaalsContact CA-CE3 3.48Å; P153-W196 HydrophobicContact CB-CD2 3.74Å; P153-W196 HydrophobicContact CB-CE3 4.3Å; P153-W196 HydrophobicContact CB-CG 3.89Å; P153-W196 HydrophobicContact CB-CZ2 4.4Å; P153-W196 HydrophobicContact CG-CD2 4.49Å; K172-W196 VanDerWaalsContact CE-CZ3 3.45Å; W196-L243 PolarHBondContact N-O 2.86Å; W196-V244 VanDerWaalsContact O-CA 3.31Å; W196-V244 WeakPolarHBondContact O-CA 3.16Å; W196-D245 PolarHBondContact O-N 2.91Å; W196-D271 PolarHBondContact NE1-OD2 2.89Å; W196-F272 PolarHBondContact NE1-O 3.36Å; W196-F273 AromaticContact CZ2-CD2 3.84Å; W196-F273 HydrophobicContact CZ2-CD2 3.84Å; W196-F273 HydrophobicContact CZ2-CE2 4.02Å
197P97.9Very high94.2Very high7 Ų729.6 Ų29.65%0.04516%0.16CC..  trans-69.2146.4172.2-10.724.5000112.1T199 I201 M224 D245 D271 L274P197-T199 WeakPolarHBondContact CB-O 3.49Å; P197-I201 HydrophobicContact CB-CD1 4.02Å; P197-I201 HydrophobicContact CB-CG1 3.75Å; P197-I201 HydrophobicContact CG-CG1 3.77Å; P197-M224 HydrophobicContact CB-SD 3.92Å; P197-M224 HydrophobicContact CG-CE 4.08Å; P197-M224 HydrophobicContact CG-CG 4.25Å; P197-M224 HydrophobicContact CG-SD 3.7Å; P197-D245 WeakPolarHBondContact CA-OD2 3.24Å; P197-D271 HydrophobicContact CB-CB 4.39Å; P197-D271 WeakPolarHBondContact CB-OD2 3.39Å; P197-D271 VanDerWaalsContact CD-OD2 3.25Å; P197-D271 WeakPolarHBondContact CD-OD2 3.33Å; P197-D271 WeakPolarHBondContact CG-OD2 3.48Å; P197-D271 WeakPolarHBondContact O-CB 3.37Å; P197-L274 WeakPolarHBondContact O-CD1 3.24Å
198R96.6Very high93.1Very high49 Ų4929.3 Ų29.319%0.18517%0.166CC..SBendtrans-72.2-35.7164.3-176.5159.8-71.6-83.9-0.6112V244 D245 E246 D247 D271 E276R198-V244 HydrophobicContact CB-CG1 3.7Å; R198-V244 HydrophobicContact CG-CG1 4.49Å; R198-D245 WeakPolarHBondContact CB-OD1 3.45Å; R198-D245 PolarHBondContact N-OD1 3.31Å; R198-E246 HydrophobicContact CB-CB 4.26Å; R198-D247 IonicContact CZ-OD2 2.65Å; R198-D247 IonicContact NH2-OD1 3.47Å; R198-D247 PolarHBondContact NH2-OD1 3.34Å; R198-D247 IonicContact NH2-OD2 2.61Å; R198-D247 PolarHBondContact NH2-OD2 3.14Å; R198-D271 PolarHBondContact O-N 3.29Å; R198-E276 IonicContact CZ-OE1 3.54Å; R198-E276 IonicContact NH1-OE1 3.69Å; R198-E276 PolarHBondContact NH1-OE1 2.72Å
199T94.2Very high92Very high10 Ų1031 Ų316%0.06117%0.165CC..BIsolated β-bridgetrans-129.1160.4-174.462.50000110.4P197 I201 R219 L268 L269P197-T199 WeakPolarHBondContact CB-O 3.49Å; T199-I201 PolarHBondContact O-N 2.9Å; T199-R219 WeakPolarHBondContact OG1-CD 3.25Å; T199-R219 WeakPolarHBondContact OG1-CG 3.43Å; T199-L268 HydrophobicContact CG2-CB 3.82Å; T199-L268 HydrophobicContact CG2-CD1 4.08Å; T199-L269 CarbonylContact C-O 3.55Å; T199-L269 WeakPolarHBondContact CA-O 3.4Å; T199-L269 VanDerWaalsContact CB-O 3.24Å; T199-L269 WeakPolarHBondContact CB-O 3.46Å
200A91.7Very high90.5Very high5 Ų527.3 Ų27.34%0.04116%0.155CC..  trans-53.4141173.100000112.1M206 C218 R219 L269A200-M206 HydrophobicContact CB-CE 3.73Å; A200-M206 HydrophobicContact CB-SD 4.18Å; A200-C218 VanDerWaalsContact O-CA 3.27Å; A200-C218 WeakPolarHBondContact O-CA 3.44Å; A200-C218 WeakPolarHBondContact O-CB 3.27Å; A200-R219 PolarHBondContact O-N 3.45Å; A200-L269 HydrophobicContact CB-CB 4.08Å; A200-L269 HydrophobicContact CB-CD2 3.76Å; A200-L269 HydrophobicContact CB-CG 4.16Å; A200-L269 PolarHBondContact N-O 3.45Å
201I96.9Very high89.4Confident11 Ų1128.9 Ų28.96%0.05617%0.171CC..BIsolated β-bridgetrans-110.2129.7-178-56.9-58.1000109.7I22 P197 T199 T203 M206 R219 A221 I223 M224I22-I201 HydrophobicContact CD1-CB 4.14Å; I22-I201 HydrophobicContact CD1-CG1 4.23Å; I22-I201 HydrophobicContact CD1-CG2 4.09Å; I22-I201 HydrophobicContact CG1-CB 4.5Å; I22-I201 HydrophobicContact CG1-CG2 3.89Å; P197-I201 HydrophobicContact CB-CD1 4.02Å; P197-I201 HydrophobicContact CB-CG1 3.75Å; P197-I201 HydrophobicContact CG-CG1 3.77Å; T199-I201 PolarHBondContact O-N 2.9Å; I201-T203 HydrophobicContact CG2-CG2 4.09Å; I201-T203 PolarHBondContact O-N 2.93Å; I201-M206 WeakPolarHBondContact O-CB 3.33Å; I201-R219 CarbonylContact C-O 3.43Å; I201-R219 WeakPolarHBondContact CA-O 3.29Å; I201-R219 HydrophobicContact CD1-CB 3.97Å; I201-A221 HydrophobicContact CG2-CB 4.07Å; I201-I223 HydrophobicContact CD1-CG2 3.6Å; I201-M224 HydrophobicContact CD1-CG 4.15Å; I201-M224 HydrophobicContact CG1-CG 4.02Å
202Q94.6Very high88.1Confident55 Ų5537.3 Ų37.326%0.25722%0.216SC..  trans-68107.2-178.1-178.657.611.300110.5D207 C218 R219 V262Q202-D207 PolarHBondContact NE2-OD1 3.37Å; Q202-D207 PolarHBondContact NE2-OD2 3.03Å; Q202-C218 HydrophobicContact CB-CB 3.8Å; Q202-R219 PolarHBondContact N-O 2.83Å; Q202-V262 HydrophobicContact CB-CG2 3.63Å; Q202-V262 HydrophobicContact CG-CG2 4.03Å
203T90.6Very high87Confident29 Ų2939.7 Ų39.718%0.17824%0.24CC..SBendtrans-144.5161.117965.20000109.4I22 I201 A205 M206 D207I22-T203 HydrophobicContact CG1-CG2 4.34Å; I201-T203 HydrophobicContact CG2-CG2 4.09Å; I201-T203 PolarHBondContact O-N 2.93Å; T203-A205 PolarHBondContact O-N 3.18Å; T203-A205 VanDerWaalsContact O-N 3.09Å; T203-A205 PolarHBondContact OG1-N 3.18Å; T203-M206 WeakPolarHBondContact O-CA 3.2Å; T203-M206 WeakPolarHBondContact O-CB 3.14Å; T203-M206 PolarHBondContact O-N 2.68Å; T203-M206 PolarHBondContact OG1-N 3.38Å; T203-D207 PolarHBondContact O-N 3.5Å
204A84.6Confident86.3Confident24 Ų2439.9 Ų39.920%0.19824%0.241CC..Hα-helixtrans-55.9-29.6173.800000113L50 P51 M208L50-A204 HydrophobicContact CD2-CB 4.21Å; P51-A204 HydrophobicContact CG-CB 4.34Å; A204-M208 VanDerWaalsContact O-CG 3.22Å; A204-M208 WeakPolarHBondContact O-CG 3.43Å; A204-M208 PolarHBondContact O-N 2.82Å
205A79.9Confident85.7Confident52 Ų5240.3 Ų40.343%0.4325%0.246SC..Hα-helixtrans-68.6-38174.100000111.7T203 M208 L209T203-A205 PolarHBondContact O-N 3.18Å; T203-A205 VanDerWaalsContact O-N 3.09Å; T203-A205 PolarHBondContact OG1-N 3.18Å; A205-M208 PolarHBondContact O-N 3.39Å; A205-L209 VanDerWaalsContact O-CG 3.31Å; A205-L209 WeakPolarHBondContact O-CG 3.39Å; A205-L209 PolarHBondContact O-N 2.88Å
206M85.3Confident85.3Confident24 Ų2445 Ų4512%0.11827%0.266CS..Hα-helixtrans-68.7-41.7176.5-165.263.3-165.900111.6A200 I201 T203 M208 L209 G210 I214 L269 L293A200-M206 HydrophobicContact CB-CE 3.73Å; A200-M206 HydrophobicContact CB-SD 4.18Å; I201-M206 WeakPolarHBondContact O-CB 3.33Å; T203-M206 WeakPolarHBondContact O-CA 3.2Å; T203-M206 WeakPolarHBondContact O-CB 3.14Å; T203-M206 PolarHBondContact O-N 2.68Å; T203-M206 PolarHBondContact OG1-N 3.38Å; M206-M208 VanDerWaalsContact C-N 3.26Å; M206-M208 PolarHBondContact O-N 3.2Å; M206-L209 PolarHBondContact O-N 2.83Å; M206-G210 PolarHBondContact O-N 3.32Å; M206-I214 HydrophobicContact CE-CD1 4.17Å; M206-I214 HydrophobicContact CE-CG1 3.59Å; M206-I214 HydrophobicContact CG-CG1 4.41Å; M206-I214 HydrophobicContact CG-CG2 4.35Å; M206-L269 HydrophobicContact CE-CD2 3.62Å; M206-L293 HydrophobicContact CE-CB 4.4Å; M206-L293 HydrophobicContact CE-CD2 3.74Å
207D80.1Confident84.8Confident70 Ų7045 Ų4537%0.37427%0.267SS..Hα-helixtrans-57-42.1173.9-65.6-35.4000111.6Q202 T203 L209 G211Q202-D207 PolarHBondContact NE2-OD1 3.37Å; Q202-D207 PolarHBondContact NE2-OD2 3.03Å; T203-D207 PolarHBondContact O-N 3.5Å; D207-L209 VanDerWaalsContact C-N 3.3Å; D207-L209 PolarHBondContact O-N 2.95Å; D207-G211 WeakPolarHBondContact O-CA 3.15Å; D207-G211 PolarHBondContact O-N 3.01Å
208M74.8Confident84.7Confident122 Ų12244.7 Ų44.760%0.60127%0.265SS*.Hα-helixtrans-69.2-25.7177.8-68.7178.896.200113.6K49 L50 A204 A205 M206K49-M208 HydrophobicContact CD-CE 4.43Å; L50-M208 HydrophobicContact CD2-SD 4.01Å; A204-M208 VanDerWaalsContact O-CG 3.22Å; A204-M208 WeakPolarHBondContact O-CG 3.43Å; A204-M208 PolarHBondContact O-N 2.82Å; A205-M208 PolarHBondContact O-N 3.39Å; M206-M208 VanDerWaalsContact C-N 3.26Å; M206-M208 PolarHBondContact O-N 3.2Å
209L73.8Confident84.7Confident73 Ų7343.1 Ų43.138%0.38226%0.259SS..Hα-helixtrans-89.4-43.4-179.4-73.8167.1000112.3I105 A205 M206 D207 L293I105-L209 HydrophobicContact CD1-CD1 3.9Å; I105-L209 HydrophobicContact CG2-CD1 4.19Å; A205-L209 VanDerWaalsContact O-CG 3.31Å; A205-L209 WeakPolarHBondContact O-CG 3.39Å; A205-L209 PolarHBondContact O-N 2.88Å; M206-L209 PolarHBondContact O-N 2.83Å; D207-L209 VanDerWaalsContact C-N 3.3Å; D207-L209 PolarHBondContact O-N 2.95Å; L209-L293 HydrophobicContact CB-CD2 4.25Å
210G67.9Low84.9Confident24 Ų2444.2 Ų44.225%0.24727%0.266CS..Hα-helixtrans-99-13.5-17300000115.3M206 L293M206-G210 PolarHBondContact O-N 3.32Å; G210-L293 VanDerWaalsContact CA-CD1 3.49Å
211G74.8Confident85.2Confident33 Ų3344.8 Ų44.834%0.3427%0.27SS..  trans73.7-169.8-178.900000113.6D207 G213 I214D207-G211 WeakPolarHBondContact O-CA 3.15Å; D207-G211 PolarHBondContact O-N 3.01Å; G211-G213 PolarHBondContact O-N 3.43Å; G211-I214 VanDerWaalsContact O-CG2 3.23Å; G211-I214 WeakPolarHBondContact O-CG2 3.4Å; G211-I214 PolarHBondContact O-N 3.45Å
212D72.8Confident85.3Confident177 Ų17747.3 Ų47.395%0.94728%0.284SS*.THydrogen-bonded Turntrans-64.4133.7-176.2-68.3-18.8000111.5
213G76.1Confident85.5Confident49 Ų4944.7 Ų44.751%0.50527%0.271SS..THydrogen-bonded Turntrans93-14.5177.700000115G211 G215 K216G211-G213 PolarHBondContact O-N 3.43Å; G213-G215 PolarHBondContact O-N 2.76Å; G213-G215 VanDerWaalsContact O-N 3.09Å; G213-K216 PolarHBondContact O-N 3.45Å; G213-K216 VanDerWaalsContact O-N 3.13Å
214I83Confident85.9Confident6 Ų643.4 Ų43.43%0.03126%0.263CS..G310 helixtrans-58.7-28.9-179.9-166.553.1000113.2M206 G211 K216 Q217 C218 L269 L293M206-I214 HydrophobicContact CE-CD1 4.17Å; M206-I214 HydrophobicContact CE-CG1 3.59Å; M206-I214 HydrophobicContact CG-CG1 4.41Å; M206-I214 HydrophobicContact CG-CG2 4.35Å; G211-I214 VanDerWaalsContact O-CG2 3.23Å; G211-I214 WeakPolarHBondContact O-CG2 3.4Å; G211-I214 PolarHBondContact O-N 3.45Å; I214-K216 PolarHBondContact O-N 2.94Å; I214-K216 VanDerWaalsContact O-N 3.12Å; I214-Q217 HydrophobicContact CD1-CB 4.36Å; I214-Q217 PolarHBondContact O-N 3.49Å; I214-C218 PolarHBondContact O-SG 2.95Å; I214-C218 VanDerWaalsContact O-SG 3.37Å; I214-L269 HydrophobicContact CD1-CD2 4.19Å; I214-L293 HydrophobicContact CD1-CD1 3.48Å; I214-L293 VanDerWaalsContact CD1-CD1 3.48Å; I214-L293 HydrophobicContact CG1-CD1 4.03Å
215G86.4Confident86.6Confident9 Ų942.4 Ų42.49%0.09326%0.255CS..G310 helixtrans-58.1-28.4179.900000113.8G213 Q217 C218 V262G213-G215 PolarHBondContact O-N 2.76Å; G213-G215 VanDerWaalsContact O-N 3.09Å; G215-Q217 PolarHBondContact O-N 2.98Å; G215-C218 WeakPolarHBondContact O-CB 3.31Å; G215-C218 PolarHBondContact O-N 2.64Å; G215-V262 WeakPolarHBondContact O-CB 3.44Å; G215-V262 WeakPolarHBondContact O-CG1 3.38Å; G215-V262 WeakPolarHBondContact O-CG2 3.33Å
216K90.8Very high87.5Confident99 Ų9940.1 Ų40.143%0.4324%0.236SC..G310 helixtrans-63.7-27.6176.6-59.7179.7168.8178.80113G213 I214 C218 Q263 H266G213-K216 PolarHBondContact O-N 3.45Å; G213-K216 VanDerWaalsContact O-N 3.13Å; I214-K216 PolarHBondContact O-N 2.94Å; I214-K216 VanDerWaalsContact O-N 3.12Å; K216-C218 VanDerWaalsContact C-N 3.32Å; K216-Q263 HydrophobicContact CB-CB 4.25Å; K216-Q263 VanDerWaalsContact CE-OE1 3.3Å; K216-Q263 HydrophobicContact CG-CB 4.48Å; K216-H266 PolarHBondContact O-ND1 3.08Å
217Q89.1Confident88.1Confident18 Ų1839 Ų398%0.08423%0.23CC..G310 helixtrans-91.75.6177.3-58.4174.323.200112.7I214 G215 P267 L268 L269 E290I214-Q217 HydrophobicContact CD1-CB 4.36Å; I214-Q217 PolarHBondContact O-N 3.49Å; G215-Q217 PolarHBondContact O-N 2.98Å; Q217-P267 WeakPolarHBondContact CA-O 3.49Å; Q217-L268 WeakPolarHBondContact O-CA 3.26Å; Q217-L269 HydrophobicContact CB-CB 4.03Å; Q217-L269 PolarHBondContact O-N 2.83Å; Q217-E290 WeakPolarHBondContact CG-OE2 3.12Å; Q217-E290 VanDerWaalsContact NE2-CD 3.3Å; Q217-E290 PolarHBondContact NE2-OE2 2.66Å
218C94.2Very high89Confident0 Ų035.6 Ų35.60%021%0.212CC..  trans-109157.2-176.4-68.50000111.8A200 Q202 I214 G215 K216 V262A200-C218 VanDerWaalsContact O-CA 3.27Å; A200-C218 WeakPolarHBondContact O-CA 3.44Å; A200-C218 WeakPolarHBondContact O-CB 3.27Å; Q202-C218 HydrophobicContact CB-CB 3.8Å; I214-C218 PolarHBondContact O-SG 2.95Å; I214-C218 VanDerWaalsContact O-SG 3.37Å; G215-C218 WeakPolarHBondContact O-CB 3.31Å; G215-C218 PolarHBondContact O-N 2.64Å; K216-C218 VanDerWaalsContact C-N 3.32Å; C218-V262 HydrophobicContact CB-CG2 4.44Å; C218-V262 WeakPolarHBondContact O-CB 3.48Å; C218-V262 WeakPolarHBondContact O-CG2 3.47Å; C218-V262 PolarHBondContact O-N 2.89Å
219R98.1Very high90.2Very high15 Ų1530.1 Ų30.16%0.05719%0.185CC..BIsolated β-bridgetrans-91.3158161.7-72.1-174.8174.6153.70.1111.1T199 A200 I201 Q202 I223 E246 Y260 L268T199-R219 WeakPolarHBondContact OG1-CD 3.25Å; T199-R219 WeakPolarHBondContact OG1-CG 3.43Å; A200-R219 PolarHBondContact O-N 3.45Å; I201-R219 CarbonylContact C-O 3.43Å; I201-R219 WeakPolarHBondContact CA-O 3.29Å; I201-R219 HydrophobicContact CD1-CB 3.97Å; Q202-R219 PolarHBondContact N-O 2.83Å; R219-I223 HydrophobicContact CB-CG2 4.14Å; R219-E246 IonicContact CZ-OE2 2.87Å; R219-E246 IonicContact NH1-OE2 3.09Å; R219-E246 PolarHBondContact NH1-OE2 3.11Å; R219-E246 IonicContact NH2-OE2 2.98Å; R219-E246 PolarHBondContact NH2-OE2 3Å; R219-Y260 CarbonylContact C-O 3.59Å; R219-Y260 WeakPolarHBondContact CA-O 3.5Å; R219-Y260 WeakPolarHBondContact CB-O 3.3Å; R219-Y260 WeakPolarHBondContact CG-O 3.41Å; R219-L268 HydrophobicContact CG-CD1 3.95Å; R219-L268 HydrophobicContact CG-CD2 4.13Å
220T98.1Very high91.4Very high34 Ų3426.8 Ų26.821%0.20917%0.168CC..  trans-70.7159.6173.571.40000110.3D222 I223 Y260 V262T220-D222 PolarHBondContact O-N 2.97Å; T220-D222 VanDerWaalsContact O-N 3.12Å; T220-D222 WeakPolarHBondContact OG1-CB 3.44Å; T220-D222 PolarHBondContact OG1-N 3.26Å; T220-D222 PolarHBondContact OG1-OD2 3.25Å; T220-D222 VanDerWaalsContact OG1-OD2 3.08Å; T220-I223 WeakPolarHBondContact O-CG2 3.16Å; T220-I223 PolarHBondContact O-N 3.2Å; T220-Y260 PolarHBondContact N-O 3.03Å; T220-V262 HydrophobicContact CG2-CG2 4.03Å
221A98.1Very high92.8Very high16 Ų1625.8 Ų25.813%0.13216%0.157CC..THydrogen-bonded Turntrans-64.4-13.8176.700000113.7I22 A25 I201 I223 M224 A225I22-A221 HydrophobicContact CG1-CB 4.4Å; A25-A221 HydrophobicContact CB-CB 3.66Å; I201-A221 HydrophobicContact CG2-CB 4.07Å; A221-I223 VanDerWaalsContact C-N 3.28Å; A221-I223 PolarHBondContact O-N 3.25Å; A221-M224 PolarHBondContact O-N 2.97Å; A221-A225 PolarHBondContact O-N 3.37Å; A221-A225 VanDerWaalsContact O-N 3.1Å
222D98.6Very high94Very high64 Ų6424.3 Ų24.334%0.34214%0.141SC..Hα-helixtrans-63.9-31.1-179.5-54.7-39.6000112.4M1 T220 M224 A225 D226 Y260M1-D222 HydrophobicContact CE-CB 4.18Å; M1-D222 HydrophobicContact SD-CB 4.34Å; T220-D222 PolarHBondContact O-N 2.97Å; T220-D222 VanDerWaalsContact O-N 3.12Å; T220-D222 WeakPolarHBondContact OG1-CB 3.44Å; T220-D222 PolarHBondContact OG1-N 3.26Å; T220-D222 PolarHBondContact OG1-OD2 3.25Å; T220-D222 VanDerWaalsContact OG1-OD2 3.08Å; D222-M224 VanDerWaalsContact C-N 3.32Å; D222-M224 PolarHBondContact O-N 3.42Å; D222-A225 WeakPolarHBondContact O-CB 3.39Å; D222-A225 PolarHBondContact O-N 2.86Å; D222-D226 WeakPolarHBondContact O-CB 3.36Å; D222-D226 PolarHBondContact O-N 2.85Å; D222-Y260 HydrophobicContact CB-CD1 4.19Å; D222-Y260 HydrophobicContact CB-CE1 4.35Å
223I98.8Very high95.1Very high0 Ų016.3 Ų16.30%010%0.099CC..Hα-helixtrans-63-41.8177.1-165173.2000111.5I201 R219 T220 A221 A227 D245 L249 F257 Y260I201-I223 HydrophobicContact CD1-CG2 3.6Å; R219-I223 HydrophobicContact CB-CG2 4.14Å; T220-I223 WeakPolarHBondContact O-CG2 3.16Å; T220-I223 PolarHBondContact O-N 3.2Å; A221-I223 VanDerWaalsContact C-N 3.28Å; A221-I223 PolarHBondContact O-N 3.25Å; I223-A227 VanDerWaalsContact O-CB 3.29Å; I223-A227 WeakPolarHBondContact O-CB 3.32Å; I223-A227 PolarHBondContact O-N 3.34Å; I223-D245 HydrophobicContact CG1-CB 4.29Å; I223-D245 WeakPolarHBondContact CG2-OD2 3.43Å; I223-L249 HydrophobicContact CD1-CD1 4.24Å; I223-L249 HydrophobicContact CG1-CD1 3.43Å; I223-L249 VanDerWaalsContact CG1-CD1 3.43Å; I223-F257 HydrophobicContact CD1-CD1 3.98Å; I223-F257 HydrophobicContact CD1-CE1 4.29Å; I223-Y260 HydrophobicContact CB-CD1 3.67Å; I223-Y260 HydrophobicContact CB-CD2 4.33Å; I223-Y260 HydrophobicContact CB-CE1 4.23Å; I223-Y260 HydrophobicContact CB-CG 3.72Å; I223-Y260 HydrophobicContact CD1-CD2 4.14Å; I223-Y260 HydrophobicContact CD1-CG 4.23Å; I223-Y260 HydrophobicContact CG1-CD1 4.23Å; I223-Y260 HydrophobicContact CG1-CD2 4.07Å; I223-Y260 HydrophobicContact CG1-CE2 4.4Å; I223-Y260 HydrophobicContact CG1-CG 3.98Å
224M98.8Very high96.2Very high2 Ų216.7 Ų16.71%0.019%0.087CC..Hα-helixtrans-70.4-35.4176.4-72.1-63-67.500111.2I22 L151 L195 P197 I201 A221 D222 A228 D245I22-M224 HydrophobicContact CD1-CG 4.24Å; I22-M224 HydrophobicContact CG1-CB 4.42Å; I22-M224 HydrophobicContact CG1-CG 4.41Å; I22-M224 HydrophobicContact CG2-CB 3.84Å; I22-M224 HydrophobicContact CG2-CG 4.41Å; L151-M224 HydrophobicContact CD1-CE 3.51Å; L195-M224 HydrophobicContact CD2-CE 3.97Å; L195-M224 HydrophobicContact CG-CE 3.81Å; P197-M224 HydrophobicContact CB-SD 3.92Å; P197-M224 HydrophobicContact CG-CE 4.08Å; P197-M224 HydrophobicContact CG-CG 4.25Å; P197-M224 HydrophobicContact CG-SD 3.7Å; I201-M224 HydrophobicContact CD1-CG 4.15Å; I201-M224 HydrophobicContact CG1-CG 4.02Å; A221-M224 PolarHBondContact O-N 2.97Å; D222-M224 VanDerWaalsContact C-N 3.32Å; D222-M224 PolarHBondContact O-N 3.42Å; M224-A228 WeakPolarHBondContact O-CB 3.22Å; M224-A228 PolarHBondContact O-N 3.12Å; M224-D245 HydrophobicContact SD-CB 3.68Å
225A98.8Very high96.9Very high3 Ų320.1 Ų20.13%0.02511%0.11CC..Hα-helixtrans-65-46.7175.900000111.9A25 I26 K29 A221 D222 A228 Y229A25-A225 VanDerWaalsContact C-CB 3.48Å; A25-A225 HydrophobicContact CB-CB 3.86Å; A25-A225 WeakPolarHBondContact O-CB 3.47Å; I26-A225 HydrophobicContact CG1-CB 4.42Å; K29-A225 HydrophobicContact CB-CB 3.94Å; K29-A225 HydrophobicContact CG-CB 4.42Å; A221-A225 PolarHBondContact O-N 3.37Å; A221-A225 VanDerWaalsContact O-N 3.1Å; D222-A225 WeakPolarHBondContact O-CB 3.39Å; D222-A225 PolarHBondContact O-N 2.86Å; A225-A228 PolarHBondContact O-N 2.98Å; A225-Y229 WeakPolarHBondContact O-CB 3.22Å; A225-Y229 PolarHBondContact O-N 3.34Å
226D98.8Very high97.4Very high4 Ų424.4 Ų24.42%0.02113%0.126CC..Hα-helixtrans-66.6-42.2178.2-79.1-1.4000111.5M1 L2 K29 D222 Y229 A230 L249 Y260M1-D226 WeakPolarHBondContact CB-OD2 3.5Å; L2-D226 HydrophobicContact CB-CB 3.79Å; L2-D226 HydrophobicContact CD2-CB 4.47Å; L2-D226 WeakPolarHBondContact CD2-O 3.46Å; L2-D226 PolarHBondContact N-OD2 2.87Å; K29-D226 WeakPolarHBondContact CD-OD1 3.32Å; K29-D226 WeakPolarHBondContact CE-OD1 3.31Å; K29-D226 IonicContact NZ-OD1 2.77Å; K29-D226 PolarHBondContact NZ-OD1 2.78Å; D222-D226 WeakPolarHBondContact O-CB 3.36Å; D222-D226 PolarHBondContact O-N 2.85Å; D226-Y229 PolarHBondContact O-N 3.31Å; D226-A230 PolarHBondContact O-N 2.79Å; D226-L249 HydrophobicContact CB-CD1 4.44Å; D226-L249 HydrophobicContact CB-CD2 3.86Å; D226-Y260 PolarHBondContact OD2-OH 3.34Å
227A98.9Very high97.7Very high0 Ų025.1 Ų25.10%013%0.134CC..Hα-helixtrans-64.3-44.2174.800000111.7L195 I223 Y229 A230 V231 D245 V248 L249L195-A227 HydrophobicContact CD1-CB 4.08Å; L195-A227 HydrophobicContact CD2-CB 3.97Å; I223-A227 VanDerWaalsContact O-CB 3.29Å; I223-A227 WeakPolarHBondContact O-CB 3.32Å; I223-A227 PolarHBondContact O-N 3.34Å; A227-Y229 VanDerWaalsContact C-N 3.33Å; A227-Y229 PolarHBondContact O-N 3.26Å; A227-A230 WeakPolarHBondContact O-CB 3.07Å; A227-A230 PolarHBondContact O-N 3.39Å; A227-V231 WeakPolarHBondContact O-CG2 3.43Å; A227-V231 PolarHBondContact O-N 3.31Å; A227-D245 HydrophobicContact CB-CB 3.78Å; A227-V248 HydrophobicContact CB-CB 4.39Å; A227-V248 HydrophobicContact CB-CG1 4.3Å; A227-L249 HydrophobicContact CB-CD1 4.42Å; A227-L249 HydrophobicContact CB-CG 4.2Å
228A98.9Very high98.1Very high0 Ų026.4 Ų26.40%014%0.139CC..Hα-helixtrans-60.1-44.4174.900000111.2I26 L149 L195 M224 A225 A230 V231 L232I26-A228 HydrophobicContact CD1-CB 3.95Å; I26-A228 HydrophobicContact CG1-CB 3.86Å; I26-A228 HydrophobicContact CG2-CB 4.19Å; L149-A228 HydrophobicContact CD2-CB 3.71Å; L195-A228 HydrophobicContact CD2-CB 3.9Å; M224-A228 WeakPolarHBondContact O-CB 3.22Å; M224-A228 PolarHBondContact O-N 3.12Å; A225-A228 PolarHBondContact O-N 2.98Å; A228-A230 VanDerWaalsContact C-N 3.31Å; A228-A230 PolarHBondContact O-N 2.84Å; A228-V231 PolarHBondContact O-N 3.2Å; A228-L232 WeakPolarHBondContact O-CB 3.15Å; A228-L232 WeakPolarHBondContact O-CG 3.45Å; A228-L232 PolarHBondContact O-N 2.99Å
229Y98.9Very high98.3Very high7 Ų726.8 Ų26.83%0.02714%0.141CC..Hα-helixtrans-57.7-43.4176.2-179.9-92.2000112.2L2 S5 L8 K29 D33 A225 D226 A227 V231 S233L2-Y229 HydrophobicContact CD2-CD1 4.04Å; S5-Y229 WeakPolarHBondContact CA-OH 3.47Å; S5-Y229 PolarHBondContact N-OH 2.92Å; S5-Y229 PolarHBondContact OG-OH 2.76Å; L8-Y229 HydrophobicContact CD1-CD2 3.54Å; L8-Y229 HydrophobicContact CD1-CE2 3.67Å; L8-Y229 HydrophobicContact CG-CD2 4.17Å; L8-Y229 HydrophobicContact CG-CE2 3.8Å; K29-Y229 HydrophobicContact CG-CD2 4.01Å; K29-Y229 HydrophobicContact CG-CG 4.03Å; D33-Y229 WeakPolarHBondContact OD2-CE2 3.41Å; D33-Y229 PolarHBondContact OD2-OH 3.29Å; A225-Y229 WeakPolarHBondContact O-CB 3.22Å; A225-Y229 PolarHBondContact O-N 3.34Å; D226-Y229 PolarHBondContact O-N 3.31Å; A227-Y229 VanDerWaalsContact C-N 3.33Å; A227-Y229 PolarHBondContact O-N 3.26Å; Y229-V231 PolarHBondContact O-N 2.99Å; Y229-S233 WeakPolarHBondContact O-CB 3.36Å; Y229-S233 PolarHBondContact O-N 3.43Å; Y229-S233 PolarHBondContact O-OG 2.69Å
230A98.7Very high98.4Very high3 Ų327.3 Ų27.33%0.02515%0.151CC..Hα-helixtrans-61-43.9176.300000112.2L2 D226 A227 A228 S233 V248L2-A230 HydrophobicContact CD2-CB 3.83Å; D226-A230 PolarHBondContact O-N 2.79Å; A227-A230 WeakPolarHBondContact O-CB 3.07Å; A227-A230 PolarHBondContact O-N 3.39Å; A228-A230 VanDerWaalsContact C-N 3.31Å; A228-A230 PolarHBondContact O-N 2.84Å; A230-S233 WeakPolarHBondContact O-CB 3.19Å; A230-S233 PolarHBondContact O-N 3.16Å; A230-V248 HydrophobicContact CB-CG1 3.75Å
231V98.7Very high98.4Very high2 Ų229.1 Ų29.11%0.01216%0.157CC..Hα-helixtrans-68.7-46.2179176.90000111.9L149 N193 A227 A228 Y229 S233 K234 Y238 L243 V248L149-V231 HydrophobicContact CD1-CG1 3.95Å; N193-V231 HydrophobicContact CB-CG1 4.45Å; A227-V231 WeakPolarHBondContact O-CG2 3.43Å; A227-V231 PolarHBondContact O-N 3.31Å; A228-V231 PolarHBondContact O-N 3.2Å; Y229-V231 PolarHBondContact O-N 2.99Å; V231-S233 PolarHBondContact O-N 2.92Å; V231-K234 VanDerWaalsContact O-CB 3.26Å; V231-K234 WeakPolarHBondContact O-CB 3.14Å; V231-K234 WeakPolarHBondContact O-CG 3.36Å; V231-K234 PolarHBondContact O-N 3.23Å; V231-Y238 HydrophobicContact CG1-CE1 4.49Å; V231-L243 HydrophobicContact CB-CD1 4.33Å; V231-L243 HydrophobicContact CG1-CD1 3.87Å; V231-L243 HydrophobicContact CG2-CD1 3.41Å; V231-L243 VanDerWaalsContact CG2-CD1 3.41Å; V231-V248 HydrophobicContact CG2-CG1 4.09Å; V231-V248 HydrophobicContact CG2-CG2 4.26Å
232L98.6Very high98.4Very high2 Ų230.9 Ų30.91%0.0116%0.162CC..Hα-helixtrans-67.3-15.4178.7-64.7173.9000112.9L8 L13 I97 V99 H147 L149 A228L8-L232 HydrophobicContact CD2-CB 4.34Å; L13-L232 HydrophobicContact CD2-CD1 4.35Å; I97-L232 HydrophobicContact CD1-CB 4.22Å; I97-L232 HydrophobicContact CD1-CD1 4.43Å; I97-L232 HydrophobicContact CD1-CD2 4.29Å; I97-L232 HydrophobicContact CG1-CD2 4.42Å; I97-L232 HydrophobicContact CG2-CD1 4.01Å; I97-L232 HydrophobicContact CG2-CD2 3.48Å; I97-L232 VanDerWaalsContact CG2-CD2 3.48Å; I97-L232 HydrophobicContact CG2-CG 4.34Å; V99-L232 HydrophobicContact CG2-CD1 4.37Å; H147-L232 HydrophobicContact CB-CD2 3.64Å; L149-L232 HydrophobicContact CB-CD2 4.18Å; L149-L232 HydrophobicContact CD2-CD2 4.41Å; L149-L232 HydrophobicContact CD2-CG 4.34Å; A228-L232 WeakPolarHBondContact O-CB 3.15Å; A228-L232 WeakPolarHBondContact O-CG 3.45Å; A228-L232 PolarHBondContact O-N 2.99Å
233S97.5Very high98.4Very high10 Ų1028.7 Ų28.77%0.0715%0.15CC..THydrogen-bonded Turntrans-86.6-6.5174.5-73.90000114.2K7 Y229 A230 V231K7-S233 PolarHBondContact NZ-O 2.93Å; Y229-S233 WeakPolarHBondContact O-CB 3.36Å; Y229-S233 PolarHBondContact O-N 3.43Å; Y229-S233 PolarHBondContact O-OG 2.69Å; A230-S233 WeakPolarHBondContact O-CB 3.19Å; A230-S233 PolarHBondContact O-N 3.16Å; V231-S233 PolarHBondContact O-N 2.92Å
234K97.9Very high98.4Very high56 Ų5629.4 Ų29.424%0.24315%0.154CC..SBendtrans-76.6160.9176.3-64.3-72-177.4172.90111.2H147 V231 Y238H147-K234 PolarHBondContact CE1-O 3.03Å; H147-K234 VanDerWaalsContact CE1-O 3.24Å; H147-K234 PolarHBondContact NE2-O 3.32Å; H147-K234 VanDerWaalsContact NE2-O 3.14Å; V231-K234 VanDerWaalsContact O-CB 3.26Å; V231-K234 WeakPolarHBondContact O-CB 3.14Å; V231-K234 WeakPolarHBondContact O-CG 3.36Å; V231-K234 PolarHBondContact O-N 3.23Å; K234-Y238 HydrophobicContact CB-CD1 3.89Å; K234-Y238 HydrophobicContact CB-CG 3.96Å; K234-Y238 HydrophobicContact CD-CG 4.48Å; K234-Y238 HydrophobicContact CG-CD1 3.81Å; K234-Y238 HydrophobicContact CG-CE1 4.16Å; K234-Y238 HydrophobicContact CG-CG 4.07Å
235P97.7Very high98.4Very high79 Ų7929.3 Ų29.351%0.51315%0.154SC..  trans-69.6162.4170.829.5-36.5000112.4D237 Y238P235-D237 WeakPolarHBondContact CB-OD1 3.22Å; P235-D237 WeakPolarHBondContact CG-OD1 3.45Å; P235-D237 PolarHBondContact O-N 2.86Å; P235-Y238 VanDerWaalsContact O-CB 3.32Å; P235-Y238 WeakPolarHBondContact O-CB 3.41Å; P235-Y238 PolarHBondContact O-N 2.95Å; P235-Y238 VanDerWaalsContact O-N 3.1Å
236K96.8Very high98.3Very high99 Ų9930.4 Ų30.443%0.4316%0.158SC..THydrogen-bonded Turntrans-68.3-14.1-174.765.1172.4175.8164.90115.3P146 G188 Y238P146-K236 HydrophobicContact CG-CB 4.14Å; P146-K236 HydrophobicContact CG-CD 4.24Å; G188-K236 WeakPolarHBondContact O-CD 3.48Å; G188-K236 WeakPolarHBondContact O-CE 3.29Å; G188-K236 PolarHBondContact O-NZ 3.41Å; K236-Y238 VanDerWaalsContact C-N 3.32Å
237D97.4Very high98.3Very high114 Ų11433 Ų3361%0.6117%0.172SC*.THydrogen-bonded Turntrans-79.2-15.9173.659.3-22.1000112.5P235 T239P235-D237 WeakPolarHBondContact CB-OD1 3.22Å; P235-D237 WeakPolarHBondContact CG-OD1 3.45Å; P235-D237 PolarHBondContact O-N 2.86Å; D237-T239 PolarHBondContact O-N 2.91Å
238Y98.5Very high98.2Very high44 Ų4433.2 Ų33.217%0.17317%0.174CC..  trans-75.586.8168.7-168.8-99.4000109.9A191 N193 V231 K234 P235 K236 H241 L243A191-Y238 VanDerWaalsContact CB-O 3.3Å; A191-Y238 WeakPolarHBondContact CB-O 3.24Å; N193-Y238 PolarHBondContact ND2-O 3.38Å; V231-Y238 HydrophobicContact CG1-CE1 4.49Å; K234-Y238 HydrophobicContact CB-CD1 3.89Å; K234-Y238 HydrophobicContact CB-CG 3.96Å; K234-Y238 HydrophobicContact CD-CG 4.48Å; K234-Y238 HydrophobicContact CG-CD1 3.81Å; K234-Y238 HydrophobicContact CG-CE1 4.16Å; K234-Y238 HydrophobicContact CG-CG 4.07Å; P235-Y238 VanDerWaalsContact O-CB 3.32Å; P235-Y238 WeakPolarHBondContact O-CB 3.41Å; P235-Y238 PolarHBondContact O-N 2.95Å; P235-Y238 VanDerWaalsContact O-N 3.1Å; K236-Y238 VanDerWaalsContact C-N 3.32Å; Y238-H241 AromaticContact CD1-CD2 3.88Å; Y238-H241 AromaticContact CD2-CD2 3.85Å; Y238-H241 AromaticContact CD2-NE2 3.56Å; Y238-H241 AromaticContact CE1-CD2 3.75Å; Y238-H241 AromaticContact CE2-CD2 3.71Å; Y238-H241 AromaticContact CE2-NE2 3.53Å; Y238-H241 AromaticContact CG-CD2 3.94Å; Y238-H241 AromaticContact CZ-CD2 3.66Å; Y238-H241 AromaticContact CZ-NE2 3.98Å; Y238-L243 HydrophobicContact CE1-CD1 3.93Å; Y238-L243 VanDerWaalsContact OH-CD2 3.27Å; Y238-L243 WeakPolarHBondContact OH-CD2 3.25Å
239T98.8Very high98.2Very high8 Ų833.2 Ų33.25%0.04917%0.174CC..  trans-142.9151.4-169.6-164.30000111.7V192 N193 D237V192-T239 PolarHBondContact N-OG1 3.48Å; V192-T239 PolarHBondContact O-OG1 2.56Å; N193-T239 VanDerWaalsContact OD1-CA 3.32Å; N193-T239 WeakPolarHBondContact OD1-CA 3.49Å; D237-T239 PolarHBondContact O-N 2.91Å
240G98.5Very high98.1Very high26 Ų2637.7 Ų37.727%0.26819%0.193SC..SBendtrans8414.8178.500000114.7V192 N193V192-G240 PolarHBondContact O-N 3.07Å; N193-G240 PolarHBondContact OD1-N 3.33Å
241H98.8Very high98Very high72 Ų7244 Ų4433%0.33322%0.222SC..  trans-92.2146.1-178-59.7-77.8000112.9N193 A194 Y238 L243N193-H241 WeakPolarHBondContact CA-O 3.37Å; N193-H241 WeakPolarHBondContact OD1-CB 3.37Å; N193-H241 PolarHBondContact OD1-CD2 2.77Å; N193-H241 PolarHBondContact OD1-N 3.31Å; A194-H241 PolarHBondContact N-O 2.63Å; Y238-H241 AromaticContact CD1-CD2 3.88Å; Y238-H241 AromaticContact CD2-CD2 3.85Å; Y238-H241 AromaticContact CD2-NE2 3.56Å; Y238-H241 AromaticContact CE1-CD2 3.75Å; Y238-H241 AromaticContact CE2-CD2 3.71Å; Y238-H241 AromaticContact CE2-NE2 3.53Å; Y238-H241 AromaticContact CG-CD2 3.94Å; Y238-H241 AromaticContact CZ-CD2 3.66Å; Y238-H241 AromaticContact CZ-NE2 3.98Å; H241-L243 HydrophobicContact CB-CD1 4.24Å; H241-L243 HydrophobicContact CB-CD2 3.66Å; H241-L243 HydrophobicContact CB-CG 3.81Å
242F98.6Very high97.8Very high54 Ų5447.1 Ų47.124%0.23724%0.236CC..EExtended strand (participates in β ladder)trans-111.2101.3168.2-64-86.5000108.6P154 L155 S176 V179 L180 A194P154-F242 HydrophobicContact CB-CB 4Å; P154-F242 HydrophobicContact CG-CB 4.07Å; L155-F242 HydrophobicContact CD1-CZ 4.37Å; S176-F242 WeakPolarHBondContact O-CE1 3.41Å; S176-F242 WeakPolarHBondContact O-CZ 3.45Å; V179-F242 HydrophobicContact CB-CE1 4.06Å; V179-F242 HydrophobicContact CB-CZ 4.01Å; V179-F242 HydrophobicContact CG1-CE1 4.23Å; V179-F242 HydrophobicContact CG1-CZ 4.01Å; L180-F242 HydrophobicContact CD2-CE2 3.65Å; L180-F242 HydrophobicContact CD2-CZ 3.89Å; L180-F242 HydrophobicContact CG-CE2 4.15Å; L180-F242 HydrophobicContact CG-CZ 3.86Å; A194-F242 HydrophobicContact CB-CD1 3.52Å; A194-F242 HydrophobicContact CB-CE1 3.91Å; A194-F242 HydrophobicContact CB-CG 4.37Å
243L98.6Very high97.7Very high18 Ų1849.6 Ų49.69%0.09426%0.262CS..EExtended strand (participates in β ladder)trans-103.2149.8-165-56.9167.9000111.2N193 A194 L195 W196 V231 Y238 H241 V248N193-L243 HydrophobicContact CB-CD1 4.37Å; A194-L243 WeakPolarHBondContact O-CB 3.08Å; A194-L243 PolarHBondContact O-N 3.33Å; L195-L243 CarbonylContact C-O 3.28Å; L195-L243 WeakPolarHBondContact CA-O 3.42Å; L195-L243 HydrophobicContact CD1-CB 3.93Å; W196-L243 PolarHBondContact N-O 2.86Å; V231-L243 HydrophobicContact CB-CD1 4.33Å; V231-L243 HydrophobicContact CG1-CD1 3.87Å; V231-L243 HydrophobicContact CG2-CD1 3.41Å; V231-L243 VanDerWaalsContact CG2-CD1 3.41Å; Y238-L243 HydrophobicContact CE1-CD1 3.93Å; Y238-L243 VanDerWaalsContact OH-CD2 3.27Å; Y238-L243 WeakPolarHBondContact OH-CD2 3.25Å; H241-L243 HydrophobicContact CB-CD1 4.24Å; H241-L243 HydrophobicContact CB-CD2 3.66Å; H241-L243 HydrophobicContact CB-CG 3.81Å; L243-V248 HydrophobicContact CB-CG2 3.78Å; L243-V248 HydrophobicContact CD1-CG2 4.33Å; L243-V248 HydrophobicContact CD2-CG2 4.25Å; L243-V248 HydrophobicContact CG-CG2 4.35Å
244V98.4Very high97.6Very high14 Ų1449.9 Ų49.99%0.08526%0.264CS..EExtended strand (participates in β ladder)trans-114.6131.8172.5-1800000108.5W196 R198 E246 D247 V248 L274W196-V244 VanDerWaalsContact O-CA 3.31Å; W196-V244 WeakPolarHBondContact O-CA 3.16Å; R198-V244 HydrophobicContact CB-CG1 3.7Å; R198-V244 HydrophobicContact CG-CG1 4.49Å; V244-E246 PolarHBondContact O-N 3.46Å; V244-D247 HydrophobicContact CB-CB 4.48Å; V244-D247 PolarHBondContact O-N 2.83Å; V244-D247 VanDerWaalsContact O-N 3.11Å; V244-V248 WeakPolarHBondContact O-CG2 3.47Å; V244-V248 PolarHBondContact O-N 3.39Å; V244-L274 HydrophobicContact CG1-CD1 4.25Å; V244-L274 HydrophobicContact CG2-CD1 4.36Å; V244-L274 HydrophobicContact CG2-CD2 4.04Å
245D98.4Very high97.5Very high0 Ų056.4 Ų56.40%029%0.292CS..Hα-helixtrans-48.8-50.5-173.260.6-9.4000114.6W196 P197 R198 I223 M224 A227 D247 V248 L249W196-D245 PolarHBondContact O-N 2.91Å; P197-D245 WeakPolarHBondContact CA-OD2 3.24Å; R198-D245 WeakPolarHBondContact CB-OD1 3.45Å; R198-D245 PolarHBondContact N-OD1 3.31Å; I223-D245 HydrophobicContact CG1-CB 4.29Å; I223-D245 WeakPolarHBondContact CG2-OD2 3.43Å; M224-D245 HydrophobicContact SD-CB 3.68Å; A227-D245 HydrophobicContact CB-CB 3.78Å; D245-D247 VanDerWaalsContact C-N 3.35Å; D245-D247 PolarHBondContact O-N 3.07Å; D245-V248 PolarHBondContact O-N 3.34Å; D245-L249 WeakPolarHBondContact O-CB 3.11Å; D245-L249 VanDerWaalsContact O-CG 3.28Å; D245-L249 WeakPolarHBondContact O-CG 3.47Å; D245-L249 PolarHBondContact O-N 3.35Å
246E97.6Very high97.3Very high26 Ų2656.9 Ų56.912%0.12129%0.29CS..Hα-helixtrans-64.1-40.1-179.1-177.1172.1129.900111.9R198 R219 V244 L249 K250 F257R198-E246 HydrophobicContact CB-CB 4.26Å; R219-E246 IonicContact CZ-OE2 2.87Å; R219-E246 IonicContact NH1-OE2 3.09Å; R219-E246 PolarHBondContact NH1-OE2 3.11Å; R219-E246 IonicContact NH2-OE2 2.98Å; R219-E246 PolarHBondContact NH2-OE2 3Å; V244-E246 PolarHBondContact O-N 3.46Å; E246-L249 PolarHBondContact O-N 3.36Å; E246-K250 HydrophobicContact CG-CD 4.29Å; E246-K250 WeakPolarHBondContact O-CB 3.49Å; E246-K250 VanDerWaalsContact O-CG 3.32Å; E246-K250 WeakPolarHBondContact O-CG 3.38Å; E246-K250 PolarHBondContact O-N 3.44Å; E246-K250 WeakPolarHBondContact OE1-CE 3.33Å; E246-K250 IonicContact OE1-NZ 2.98Å; E246-K250 PolarHBondContact OE1-NZ 2.93Å; E246-F257 HydrophobicContact CB-CE1 4.19Å; E246-F257 HydrophobicContact CG-CD1 4.06Å; E246-F257 HydrophobicContact CG-CD2 4.45Å; E246-F257 HydrophobicContact CG-CE1 3.67Å; E246-F257 HydrophobicContact CG-CE2 4.09Å; E246-F257 HydrophobicContact CG-CG 4.44Å; E246-F257 HydrophobicContact CG-CZ 3.69Å
247D97.6Very high97.3Very high59 Ų5953.2 Ų53.232%0.31627%0.274SS..Hα-helixtrans-69.1-42.4-179.2-61.1-31.9000110.4R198 V244 D245 L249 K250 E251R198-D247 IonicContact CZ-OD2 2.65Å; R198-D247 IonicContact NH2-OD1 3.47Å; R198-D247 PolarHBondContact NH2-OD1 3.34Å; R198-D247 IonicContact NH2-OD2 2.61Å; R198-D247 PolarHBondContact NH2-OD2 3.14Å; V244-D247 HydrophobicContact CB-CB 4.48Å; V244-D247 PolarHBondContact O-N 2.83Å; V244-D247 VanDerWaalsContact O-N 3.11Å; D245-D247 VanDerWaalsContact C-N 3.35Å; D245-D247 PolarHBondContact O-N 3.07Å; D247-L249 VanDerWaalsContact C-N 3.31Å; D247-L249 PolarHBondContact O-N 3.08Å; D247-K250 PolarHBondContact O-N 3.1Å; D247-E251 WeakPolarHBondContact O-CG 3.48Å; D247-E251 PolarHBondContact O-N 3.29Å; D247-E251 VanDerWaalsContact O-N 3.08Å
248V98.2Very high97.1Very high5 Ų552.1 Ų52.13%0.0327%0.268CS..Hα-helixtrans-57.3-46.2172.3172.30000110.6L195 A227 A230 V231 L243 V244 D245 E251 H252L195-V248 HydrophobicContact CD1-CG2 4.38Å; A227-V248 HydrophobicContact CB-CB 4.39Å; A227-V248 HydrophobicContact CB-CG1 4.3Å; A230-V248 HydrophobicContact CB-CG1 3.75Å; V231-V248 HydrophobicContact CG2-CG1 4.09Å; V231-V248 HydrophobicContact CG2-CG2 4.26Å; L243-V248 HydrophobicContact CB-CG2 3.78Å; L243-V248 HydrophobicContact CD1-CG2 4.33Å; L243-V248 HydrophobicContact CD2-CG2 4.25Å; L243-V248 HydrophobicContact CG-CG2 4.35Å; V244-V248 WeakPolarHBondContact O-CG2 3.47Å; V244-V248 PolarHBondContact O-N 3.39Å; D245-V248 PolarHBondContact O-N 3.34Å; V248-E251 WeakPolarHBondContact O-CB 3.42Å; V248-E251 PolarHBondContact O-N 3.4Å; V248-H252 PolarHBondContact O-N 3.36Å; V248-H252 PolarHBondContact O-ND1 2.87Å
249L98.3Very high97Very high0 Ų053.4 Ų53.40%028%0.276CS..Hα-helixtrans-71.7-34.6-176.9-70.6173.4000112.9L2 I223 D226 A227 D245 E246 D247 E251 H252 G253 V254 F257 Y260L2-L249 HydrophobicContact CB-CD2 4.2Å; L2-L249 HydrophobicContact CD2-CD2 4.13Å; I223-L249 HydrophobicContact CD1-CD1 4.24Å; I223-L249 HydrophobicContact CG1-CD1 3.43Å; I223-L249 VanDerWaalsContact CG1-CD1 3.43Å; D226-L249 HydrophobicContact CB-CD1 4.44Å; D226-L249 HydrophobicContact CB-CD2 3.86Å; A227-L249 HydrophobicContact CB-CD1 4.42Å; A227-L249 HydrophobicContact CB-CG 4.2Å; D245-L249 WeakPolarHBondContact O-CB 3.11Å; D245-L249 VanDerWaalsContact O-CG 3.28Å; D245-L249 WeakPolarHBondContact O-CG 3.47Å; D245-L249 PolarHBondContact O-N 3.35Å; E246-L249 PolarHBondContact O-N 3.36Å; D247-L249 VanDerWaalsContact C-N 3.31Å; D247-L249 PolarHBondContact O-N 3.08Å; L249-E251 VanDerWaalsContact C-N 3.33Å; L249-E251 PolarHBondContact O-N 3.31Å; L249-H252 CarbonylContact O-C 3.55Å; L249-H252 WeakPolarHBondContact O-CA 3.37Å; L249-H252 PolarHBondContact O-N 2.76Å; L249-G253 PolarHBondContact O-N 3.34Å; L249-V254 HydrophobicContact CB-CB 4.04Å; L249-V254 HydrophobicContact CB-CG2 4.04Å; L249-V254 HydrophobicContact CD2-CG2 4.25Å; L249-V254 WeakPolarHBondContact O-CB 3.37Å; L249-V254 PolarHBondContact O-N 3.06Å; L249-F257 HydrophobicContact CB-CE1 3.81Å; L249-F257 HydrophobicContact CB-CZ 3.9Å; L249-F257 HydrophobicContact CD1-CE1 4.09Å; L249-Y260 HydrophobicContact CD1-CE2 4.18Å
250K97.4Very high97Very high101 Ų10153 Ų5344%0.43927%0.274SS..Hα-helixtrans-59-44.1170.7-77.9172.2-175.9162.20111.4E246 D247 H252 G253 F257E246-K250 HydrophobicContact CG-CD 4.29Å; E246-K250 WeakPolarHBondContact O-CB 3.49Å; E246-K250 VanDerWaalsContact O-CG 3.32Å; E246-K250 WeakPolarHBondContact O-CG 3.38Å; E246-K250 PolarHBondContact O-N 3.44Å; E246-K250 WeakPolarHBondContact OE1-CE 3.33Å; E246-K250 IonicContact OE1-NZ 2.98Å; E246-K250 PolarHBondContact OE1-NZ 2.93Å; D247-K250 PolarHBondContact O-N 3.1Å; K250-H252 PolarHBondContact O-N 3.35Å; K250-G253 PolarHBondContact O-N 3.17Å; K250-F257 HydrophobicContact CG-CE2 3.76Å; K250-F257 HydrophobicContact CG-CZ 3.8Å
251E95.9Very high96.9Very high136 Ų13652.3 Ų52.364%0.63627%0.265SS*.Hα-helixtrans-60.9-25.6174.6-71.2-180-173.900112.8D247 V248 L249 G253D247-E251 WeakPolarHBondContact O-CG 3.48Å; D247-E251 PolarHBondContact O-N 3.29Å; D247-E251 VanDerWaalsContact O-N 3.08Å; V248-E251 WeakPolarHBondContact O-CB 3.42Å; V248-E251 PolarHBondContact O-N 3.4Å; L249-E251 VanDerWaalsContact C-N 3.33Å; L249-E251 PolarHBondContact O-N 3.31Å; E251-G253 VanDerWaalsContact C-N 3.32Å
252H94.9Very high96.7Very high66 Ų6652 Ų5231%0.30627%0.268SS..THydrogen-bonded Turntrans-94.716175.9-65.976000113L2 V248 L249 K250 V254L2-H252 HydrophobicContact CD1-CB 3.97Å; V248-H252 PolarHBondContact O-N 3.36Å; V248-H252 PolarHBondContact O-ND1 2.87Å; L249-H252 CarbonylContact O-C 3.55Å; L249-H252 WeakPolarHBondContact O-CA 3.37Å; L249-H252 PolarHBondContact O-N 2.76Å; K250-H252 PolarHBondContact O-N 3.35Å; H252-V254 PolarHBondContact O-N 3.05Å
253G95Very high96.5Very high54 Ų5453 Ų5356%0.55727%0.274SS*.THydrogen-bonded Turntrans82.37.8171.300000115.1L249 K250 E251 K255L249-G253 PolarHBondContact O-N 3.34Å; K250-G253 PolarHBondContact O-N 3.17Å; E251-G253 VanDerWaalsContact C-N 3.32Å; G253-K255 PolarHBondContact O-N 3.43Å
254V96.6Very high96.3Very high16 Ų1656 Ų5610%0.09729%0.294CS..  trans-71122.7171.9-177.50000108.7L249 H252 F257 Y260L249-V254 HydrophobicContact CB-CB 4.04Å; L249-V254 HydrophobicContact CB-CG2 4.04Å; L249-V254 HydrophobicContact CD2-CG2 4.25Å; L249-V254 WeakPolarHBondContact O-CB 3.37Å; L249-V254 PolarHBondContact O-N 3.06Å; H252-V254 PolarHBondContact O-N 3.05Å; V254-F257 HydrophobicContact CB-CZ 4.09Å; V254-F257 HydrophobicContact CG1-CD1 4.47Å; V254-F257 HydrophobicContact CG1-CE1 4.04Å; V254-F257 HydrophobicContact CG1-CE2 4.1Å; V254-F257 HydrophobicContact CG1-CZ 3.83Å; V254-F257 WeakPolarHBondContact O-CE2 3.49Å; V254-Y260 HydrophobicContact CG1-CE2 4.12Å
255K94.9Very high95.8Very high194 Ų19458.4 Ų58.484%0.84332%0.322SS*.  trans-111.2-37.1179.8-63.7-177.7-179.2-179.10112.8G253G253-K255 PolarHBondContact O-N 3.43Å
256D95.1Very high95.2Very high88 Ų8860.2 Ų60.247%0.47133%0.33SS..  trans-93.6117.4178.3177.510000109.5D258 Q259D256-D258 WeakPolarHBondContact OD1-CB 3.44Å; D256-D258 PolarHBondContact OD1-N 2.9Å; D256-Q259 PolarHBondContact O-NE2 3.38Å
257F96.2Very high94.7Very high22 Ų2259.8 Ų59.810%0.09633%0.33CS..  trans-106.3-4.4178.1-74-88.9000113.1I223 E246 L249 K250 V254 Q259 Y260I223-F257 HydrophobicContact CD1-CD1 3.98Å; I223-F257 HydrophobicContact CD1-CE1 4.29Å; E246-F257 HydrophobicContact CB-CE1 4.19Å; E246-F257 HydrophobicContact CG-CD1 4.06Å; E246-F257 HydrophobicContact CG-CD2 4.45Å; E246-F257 HydrophobicContact CG-CE1 3.67Å; E246-F257 HydrophobicContact CG-CE2 4.09Å; E246-F257 HydrophobicContact CG-CG 4.44Å; E246-F257 HydrophobicContact CG-CZ 3.69Å; L249-F257 HydrophobicContact CB-CE1 3.81Å; L249-F257 HydrophobicContact CB-CZ 3.9Å; L249-F257 HydrophobicContact CD1-CE1 4.09Å; K250-F257 HydrophobicContact CG-CE2 3.76Å; K250-F257 HydrophobicContact CG-CZ 3.8Å; V254-F257 HydrophobicContact CB-CZ 4.09Å; V254-F257 HydrophobicContact CG1-CD1 4.47Å; V254-F257 HydrophobicContact CG1-CE1 4.04Å; V254-F257 HydrophobicContact CG1-CE2 4.1Å; V254-F257 HydrophobicContact CG1-CZ 3.83Å; V254-F257 WeakPolarHBondContact O-CE2 3.49Å; F257-Q259 PolarHBondContact O-N 3.34Å; F257-Y260 AromaticContact CD1-CD2 3.91Å; F257-Y260 HydrophobicContact CD1-CD2 3.91Å; F257-Y260 HydrophobicContact CD1-CE2 4.16Å; F257-Y260 HydrophobicContact CE1-CE2 4.45Å; F257-Y260 PolarHBondContact O-N 3.49Å
258D93.8Very high94.3Very high91 Ų9158.9 Ų58.949%0.48733%0.325SS..G310 helixtrans-63.7-30.5178.1-77.4-15.6000111D256 Y260 A261 P264D256-D258 WeakPolarHBondContact OD1-CB 3.44Å; D256-D258 PolarHBondContact OD1-N 2.9Å; D258-Y260 PolarHBondContact O-N 3.08Å; D258-Y260 VanDerWaalsContact O-N 3.11Å; D258-A261 WeakPolarHBondContact O-CB 3.41Å; D258-A261 PolarHBondContact O-N 2.99Å; D258-P264 HydrophobicContact CB-CB 4.18Å
259Q95.7Very high93.6Very high72 Ų7258.9 Ų58.934%0.33632%0.324SS..G310 helixtrans-60-17.8172.966.6-174.1-43.600115.1D256 F257D256-Q259 PolarHBondContact O-NE2 3.38Å; F257-Q259 PolarHBondContact O-N 3.34Å
260Y97.8Very high93.1Very high0 Ų060.4 Ų60.40%033%0.334CS..G310 helixtrans-99.8-7.4173.4-58.4-72.7000112.4M1 L2 R219 T220 D222 I223 D226 L249 V254 F257 D258M1-Y260 VanDerWaalsContact CA-OH 3.32Å; M1-Y260 WeakPolarHBondContact CA-OH 3.3Å; M1-Y260 HydrophobicContact CB-CE1 4.35Å; M1-Y260 HydrophobicContact CG-CD1 4.46Å; M1-Y260 HydrophobicContact CG-CE1 3.75Å; L2-Y260 PolarHBondContact N-OH 3.23Å; R219-Y260 CarbonylContact C-O 3.59Å; R219-Y260 WeakPolarHBondContact CA-O 3.5Å; R219-Y260 WeakPolarHBondContact CB-O 3.3Å; R219-Y260 WeakPolarHBondContact CG-O 3.41Å; T220-Y260 PolarHBondContact N-O 3.03Å; D222-Y260 HydrophobicContact CB-CD1 4.19Å; D222-Y260 HydrophobicContact CB-CE1 4.35Å; I223-Y260 HydrophobicContact CB-CD1 3.67Å; I223-Y260 HydrophobicContact CB-CD2 4.33Å; I223-Y260 HydrophobicContact CB-CE1 4.23Å; I223-Y260 HydrophobicContact CB-CG 3.72Å; I223-Y260 HydrophobicContact CD1-CD2 4.14Å; I223-Y260 HydrophobicContact CD1-CG 4.23Å; I223-Y260 HydrophobicContact CG1-CD1 4.23Å; I223-Y260 HydrophobicContact CG1-CD2 4.07Å; I223-Y260 HydrophobicContact CG1-CE2 4.4Å; I223-Y260 HydrophobicContact CG1-CG 3.98Å; D226-Y260 PolarHBondContact OD2-OH 3.34Å; L249-Y260 HydrophobicContact CD1-CE2 4.18Å; V254-Y260 HydrophobicContact CG1-CE2 4.12Å; F257-Y260 AromaticContact CD1-CD2 3.91Å; F257-Y260 HydrophobicContact CD1-CD2 3.91Å; F257-Y260 HydrophobicContact CD1-CE2 4.16Å; F257-Y260 HydrophobicContact CE1-CE2 4.45Å; F257-Y260 PolarHBondContact O-N 3.49Å; D258-Y260 PolarHBondContact O-N 3.08Å; D258-Y260 VanDerWaalsContact O-N 3.11Å
261A96.9Very high92.7Very high11 Ų1156.6 Ų56.69%0.09132%0.319CS..BIsolated β-bridgetrans-74.5136.5175.500000109.7D258 Q263 P264D258-A261 WeakPolarHBondContact O-CB 3.41Å; D258-A261 PolarHBondContact O-N 2.99Å; A261-Q263 PolarHBondContact O-N 2.94Å; A261-P264 HydrophobicContact CB-CG 4.47Å
262V95.4Very high92.1Very high64 Ų6451.6 Ų51.639%0.38830%0.295SS..SBendtrans-63.4-37.9170.7172.50000110.2Q202 G215 C218 T220Q202-V262 HydrophobicContact CB-CG2 3.63Å; Q202-V262 HydrophobicContact CG-CG2 4.03Å; G215-V262 WeakPolarHBondContact O-CB 3.44Å; G215-V262 WeakPolarHBondContact O-CG1 3.38Å; G215-V262 WeakPolarHBondContact O-CG2 3.33Å; C218-V262 HydrophobicContact CB-CG2 4.44Å; C218-V262 WeakPolarHBondContact O-CB 3.48Å; C218-V262 WeakPolarHBondContact O-CG2 3.47Å; C218-V262 PolarHBondContact O-N 2.89Å; T220-V262 HydrophobicContact CG2-CG2 4.03Å
263Q94.9Very high91.9Very high76 Ų7648.6 Ų48.636%0.35528%0.281SS..SBendtrans-128.599.8170.3-173.5172.4-18.500109.7K216 A261 H266K216-Q263 HydrophobicContact CB-CB 4.25Å; K216-Q263 VanDerWaalsContact CE-OE1 3.3Å; K216-Q263 HydrophobicContact CG-CB 4.48Å; A261-Q263 PolarHBondContact O-N 2.94Å; Q263-H266 HydrophobicContact CB-CB 4.18Å; Q263-H266 HydrophobicContact CG-CB 4.2Å; Q263-H266 VanDerWaalsContact O-CB 3.22Å; Q263-H266 WeakPolarHBondContact O-CB 3.31Å; Q263-H266 PolarHBondContact O-N 3.16Å
264P93.2Very high91.5Very high81 Ų8147.2 Ų47.253%0.52626%0.261SS..THydrogen-bonded Turntrans-53.2142.2176.5-29.436.6000113.4D258 A261 H266D258-P264 HydrophobicContact CB-CB 4.18Å; A261-P264 HydrophobicContact CB-CG 4.47Å; P264-H266 PolarHBondContact O-N 3.48Å
265G87.8Confident90.6Very high64 Ų6450.9 Ų50.966%0.6628%0.28SS*.THydrogen-bonded Turntrans75.9-2.1-17900000115.5
266H86.3Confident89.1Confident38 Ų3844.6 Ų44.618%0.17625%0.254CS..SBendtrans-87.1144.7174.6-157.6-91.2000111K216 Q263 P264 L268 E290K216-H266 PolarHBondContact O-ND1 3.08Å; Q263-H266 HydrophobicContact CB-CB 4.18Å; Q263-H266 HydrophobicContact CG-CB 4.2Å; Q263-H266 VanDerWaalsContact O-CB 3.22Å; Q263-H266 WeakPolarHBondContact O-CB 3.31Å; Q263-H266 PolarHBondContact O-N 3.16Å; P264-H266 PolarHBondContact O-N 3.48Å; H266-L268 PolarHBondContact O-N 3.32Å; H266-E290 IonicContact CE1-OE1 3.82Å; H266-E290 PolarHBondContact CE1-OE1 3.16Å; H266-E290 IonicContact CE1-OE2 3.55Å; H266-E290 PolarHBondContact CE1-OE2 2.8Å; H266-E290 IonicContact ND1-OE2 3.25Å; H266-E290 IonicContact NE2-OE1 2.92Å; H266-E290 PolarHBondContact NE2-OE1 3.11Å; H266-E290 IonicContact NE2-OE2 3.25Å
267P86.8Confident86.7Confident18 Ų1843.5 Ų43.512%0.11726%0.257CS..PPolyproline II helixtrans-55.6135.6172.5-21.429.5000111.1Q217 M285 H288Q217-P267 WeakPolarHBondContact CA-O 3.49Å; P267-M285 HydrophobicContact CB-CG 4.42Å; P267-H288 HydrophobicContact CG-CB 3.39Å
268L89.1Confident84.2Confident39 Ų3947.2 Ų47.220%0.20428%0.283CS..PPolyproline II helixtrans-96.8143177.1-65.7173.3000110.2T199 Q217 R219 H266 P270T199-L268 HydrophobicContact CG2-CB 3.82Å; T199-L268 HydrophobicContact CG2-CD1 4.08Å; Q217-L268 WeakPolarHBondContact O-CA 3.26Å; R219-L268 HydrophobicContact CG-CD1 3.95Å; R219-L268 HydrophobicContact CG-CD2 4.13Å; H266-L268 PolarHBondContact O-N 3.32Å; L268-P270 WeakPolarHBondContact O-CD 3.38Å
269L84.4Confident81.5Confident5 Ų550.5 Ų50.53%0.02630%0.295CS..PPolyproline II helixtrans-79.8121.8174.6177.368.3000109.8T199 A200 M206 I214 Q217 P292 L293T199-L269 CarbonylContact C-O 3.55Å; T199-L269 WeakPolarHBondContact CA-O 3.4Å; T199-L269 VanDerWaalsContact CB-O 3.24Å; T199-L269 WeakPolarHBondContact CB-O 3.46Å; A200-L269 HydrophobicContact CB-CB 4.08Å; A200-L269 HydrophobicContact CB-CD2 3.76Å; A200-L269 HydrophobicContact CB-CG 4.16Å; A200-L269 PolarHBondContact N-O 3.45Å; M206-L269 HydrophobicContact CE-CD2 3.62Å; I214-L269 HydrophobicContact CD1-CD2 4.19Å; Q217-L269 HydrophobicContact CB-CB 4.03Å; Q217-L269 PolarHBondContact O-N 2.83Å; L269-P292 HydrophobicContact CD1-CB 3.73Å; L269-L293 HydrophobicContact CD1-CB 4.15Å; L269-L293 HydrophobicContact CD2-CB 3.33Å; L269-L293 HydrophobicContact CD2-CG 4.5Å; L269-L293 HydrophobicContact CG-CB 4.37Å
270P87.3Confident78.9Confident32 Ų3250.3 Ų50.321%0.20830%0.302CS..BIsolated β-bridgetrans-60.3143.7173.1-22.534000111.7L268 L281L268-P270 WeakPolarHBondContact O-CD 3.38Å; P270-L281 HydrophobicContact CB-CD1 4.49Å; P270-L281 HydrophobicContact CG-CD1 3.64Å; P270-L281 HydrophobicContact CG-CD2 3.69Å; P270-L281 HydrophobicContact CG-CG 4.26Å
271D89Confident76.3Confident22 Ų2251.6 Ų51.612%0.11831%0.309CS..PPolyproline II helixtrans-78.4161.9173.6-155.6-1.2000111.3W196 P197 R198W196-D271 PolarHBondContact NE1-OD2 2.89Å; P197-D271 HydrophobicContact CB-CB 4.39Å; P197-D271 WeakPolarHBondContact CB-OD2 3.39Å; P197-D271 VanDerWaalsContact CD-OD2 3.25Å; P197-D271 WeakPolarHBondContact CD-OD2 3.33Å; P197-D271 WeakPolarHBondContact CG-OD2 3.48Å; P197-D271 WeakPolarHBondContact O-CB 3.37Å; R198-D271 PolarHBondContact O-N 3.29Å
272F83.7Confident73.8Confident31 Ų3154.2 Ų54.214%0.13632%0.323CS..THydrogen-bonded Turntrans-61.5155177-61.3-66.1000111.9L107 W161 W196 L274L107-F272 HydrophobicContact CD1-CE2 4.18Å; L107-F272 HydrophobicContact CD1-CZ 3.71Å; W161-F272 HydrophobicContact CZ3-CB 4.37Å; W161-F272 HydrophobicContact CZ3-CD1 4.17Å; W196-F272 PolarHBondContact NE1-O 3.36Å; F272-L274 VanDerWaalsContact C-N 3.26Å; F272-L274 PolarHBondContact O-N 3.47Å
273F89.4Confident71.3Confident2 Ų257.6 Ų57.61%0.00933%0.333CS..THydrogen-bonded Turntrans75.2-0.7169.5-42.3-65.7000116.3P153 N156 W161 H165 Y168 T169 Y173 W196P153-F273 HydrophobicContact CB-CB 3.72Å; P153-F273 HydrophobicContact CB-CD2 3.63Å; P153-F273 HydrophobicContact CB-CG 3.93Å; P153-F273 HydrophobicContact CG-CB 4.25Å; P153-F273 HydrophobicContact CG-CD2 3.55Å; P153-F273 HydrophobicContact CG-CE2 4.1Å; P153-F273 HydrophobicContact CG-CG 3.97Å; N156-F273 WeakPolarHBondContact CB-O 3.43Å; N156-F273 PolarHBondContact ND2-O 2.93Å; W161-F273 HydrophobicContact CB-CD1 3.9Å; W161-F273 HydrophobicContact CB-CE1 4.32Å; W161-F273 HydrophobicContact CD2-CD1 4.23Å; W161-F273 HydrophobicContact CE3-CD1 4.26Å; W161-F273 HydrophobicContact CG-CD1 4.07Å; H165-F273 AromaticContact CE1-CE1 3.94Å; Y168-F273 HydrophobicContact CD1-CZ 4.03Å; Y168-F273 AromaticContact CE1-CE2 3.98Å; Y168-F273 HydrophobicContact CE1-CE2 3.98Å; Y168-F273 AromaticContact CE1-CZ 3.78Å; Y168-F273 HydrophobicContact CE1-CZ 3.78Å; T169-F273 HydrophobicContact CG2-CE1 3.9Å; Y173-F273 HydrophobicContact CE1-CB 4.31Å; Y173-F273 AromaticContact CE1-CD1 3.67Å; Y173-F273 HydrophobicContact CE1-CD1 3.67Å; Y173-F273 HydrophobicContact CE1-CE1 4.11Å; Y173-F273 AromaticContact CE1-CG 3.92Å; Y173-F273 HydrophobicContact CE1-CG 3.92Å; W196-F273 AromaticContact CZ2-CD2 3.84Å; W196-F273 HydrophobicContact CZ2-CD2 3.84Å; W196-F273 HydrophobicContact CZ2-CE2 4.02Å
274L87.3Confident68.9Low25 Ų2559.5 Ų59.513%0.13134%0.342CS..  trans-102.5120.2174.8-57.5-178.2000110.2P154 W161 P197 V244 F272 E276P154-L274 HydrophobicContact CG-CD2 4.07Å; W161-L274 WeakPolarHBondContact CZ2-O 3.49Å; P197-L274 WeakPolarHBondContact O-CD1 3.24Å; V244-L274 HydrophobicContact CG1-CD1 4.25Å; V244-L274 HydrophobicContact CG2-CD1 4.36Å; V244-L274 HydrophobicContact CG2-CD2 4.04Å; F272-L274 VanDerWaalsContact C-N 3.26Å; F272-L274 PolarHBondContact O-N 3.47Å; L274-E276 PolarHBondContact O-N 3.25Å; L274-E276 VanDerWaalsContact O-N 3.1Å
275D78Confident66.6Low94 Ų9456 Ų5650%0.50332%0.318SS..  trans-78.793.6174.6-67.3-16.2000108.8N156 N158 W161N156-D275 PolarHBondContact ND2-OD1 3.1Å; N156-D275 PolarHBondContact ND2-OD2 3.31Å; N158-D275 PolarHBondContact ND2-OD2 3.23Å; W161-D275 PolarHBondContact NE1-OD1 3.27Å
276E63.9Low64.5Low62 Ų6259.6 Ų59.629%0.2932%0.318SS..  trans-92.5140.7161.2-69.7-163.2178.800109.2R198 L274 P278 L281R198-E276 IonicContact CZ-OE1 3.54Å; R198-E276 IonicContact NH1-OE1 3.69Å; R198-E276 PolarHBondContact NH1-OE1 2.72Å; L274-E276 PolarHBondContact O-N 3.25Å; L274-E276 VanDerWaalsContact O-N 3.1Å; E276-P278 VanDerWaalsContact O-CD 3.29Å; E276-P278 WeakPolarHBondContact O-CD 3.21Å; E276-L281 HydrophobicContact CB-CD1 3.41Å; E276-L281 VanDerWaalsContact CB-CD1 3.41Å; E276-L281 HydrophobicContact CG-CD1 4.35Å; E276-L281 WeakPolarHBondContact OE2-CD1 3.39Å
277A44Very low62.3Low65 Ų6565 Ų6554%0.53734%0.344SS..  trans-53.4116-179.400000109.7E279 S280A277-E279 PolarHBondContact O-N 3.37Å; A277-S280 PolarHBondContact O-N 2.89Å; A277-S280 PolarHBondContact O-OG 2.93Å
278P44.3Very low60.4Low99 Ų9969.9 Ų69.964%0.64337%0.365SS*.Hα-helixtrans-58.4-29.2-169.7-26.333.8000113.5E276 V282E276-P278 VanDerWaalsContact O-CD 3.29Å; E276-P278 WeakPolarHBondContact O-CD 3.21Å; P278-V282 WeakPolarHBondContact O-CB 3.23Å; P278-V282 WeakPolarHBondContact O-CG2 3.31Å; P278-V282 PolarHBondContact O-N 3.1Å
279E36.5Very low57.8Low161 Ų16171.3 Ų71.375%0.75239%0.389SS*.Hα-helixtrans-75.8-26.8-170.4-61.8-177.1179.500114.5A277 K283A277-E279 PolarHBondContact O-N 3.37Å; E279-K283 WeakPolarHBondContact O-CG 3.49Å
280S40.9Very low55.7Low67 Ų6773.5 Ų73.547%0.46940%0.399SS..Hα-helixtrans-84-36.5179.552.50000112.6A277 Q284A277-S280 PolarHBondContact O-N 2.89Å; A277-S280 PolarHBondContact O-OG 2.93Å; S280-Q284 WeakPolarHBondContact O-CG 3.38Å; S280-Q284 PolarHBondContact O-N 2.8Å
281L44Very low53.3Low28 Ų2877 Ų7715%0.14742%0.419CS..Hα-helixtrans-71.4-47.4178.2-82.3162.3000112.1P270 E276 K283 Q284 M285P270-L281 HydrophobicContact CB-CD1 4.49Å; P270-L281 HydrophobicContact CG-CD1 3.64Å; P270-L281 HydrophobicContact CG-CD2 3.69Å; P270-L281 HydrophobicContact CG-CG 4.26Å; E276-L281 HydrophobicContact CB-CD1 3.41Å; E276-L281 VanDerWaalsContact CB-CD1 3.41Å; E276-L281 HydrophobicContact CG-CD1 4.35Å; E276-L281 WeakPolarHBondContact OE2-CD1 3.39Å; L281-K283 VanDerWaalsContact C-N 3.27Å; L281-K283 PolarHBondContact O-N 3.09Å; L281-Q284 PolarHBondContact O-N 3.25Å; L281-Q284 VanDerWaalsContact O-N 3.1Å; L281-M285 WeakPolarHBondContact O-CB 3.14Å; L281-M285 VanDerWaalsContact O-CG 3.24Å; L281-M285 WeakPolarHBondContact O-CG 3.27Å; L281-M285 PolarHBondContact O-N 3.08Å
282V44.1Very low50.9Low66 Ų6677.7 Ų77.740%0.443%0.425SS..Hα-helixtrans-58.7-41.3178.6172.30000110.7P278 Q284 M285 E286P278-V282 WeakPolarHBondContact O-CB 3.23Å; P278-V282 WeakPolarHBondContact O-CG2 3.31Å; P278-V282 PolarHBondContact O-N 3.1Å; V282-Q284 PolarHBondContact O-N 2.98Å; V282-M285 PolarHBondContact O-N 2.87Å; V282-E286 HydrophobicContact CG1-CG 4.18Å; V282-E286 WeakPolarHBondContact CG1-OE1 3.16Å; V282-E286 VanDerWaalsContact O-CB 3.31Å; V282-E286 WeakPolarHBondContact O-CB 3.45Å; V282-E286 VanDerWaalsContact O-CG 3.23Å; V282-E286 WeakPolarHBondContact O-CG 3.45Å; V282-E286 PolarHBondContact O-N 2.9Å
283K41.6Very low48.7Very low134 Ų13478.5 Ų78.558%0.58343%0.43SS*.Hα-helixtrans-63.4-38.7175.2-85.1-179.8176.5172.10114E279 L281 Q287E279-K283 WeakPolarHBondContact O-CG 3.49Å; L281-K283 VanDerWaalsContact C-N 3.27Å; L281-K283 PolarHBondContact O-N 3.09Å; K283-Q287 WeakPolarHBondContact O-CG 3.38Å; K283-Q287 PolarHBondContact O-N 3.27Å
284Q45.1Very low46.3Very low116 Ų11680.2 Ų80.254%0.54245%0.448SS..Hα-helixtrans-72.6-35.4178.2-76.4179.3-18.300111.7S280 L281 V282 H288S280-Q284 WeakPolarHBondContact O-CG 3.38Å; S280-Q284 PolarHBondContact O-N 2.8Å; L281-Q284 PolarHBondContact O-N 3.25Å; L281-Q284 VanDerWaalsContact O-N 3.1Å; V282-Q284 PolarHBondContact O-N 2.98Å; Q284-H288 PolarHBondContact O-CD2 3.04Å
285M44.6Very low43.7Very low8 Ų881.9 Ų81.94%0.03946%0.459CS..Hα-helixtrans-75.9-36.4179.2-64.1175.977.900112.3P267 L281 V282 H288 G289 E290 P292P267-M285 HydrophobicContact CB-CG 4.42Å; L281-M285 WeakPolarHBondContact O-CB 3.14Å; L281-M285 VanDerWaalsContact O-CG 3.24Å; L281-M285 WeakPolarHBondContact O-CG 3.27Å; L281-M285 PolarHBondContact O-N 3.08Å; V282-M285 PolarHBondContact O-N 2.87Å; M285-H288 CarbonylContact O-C 3.55Å; M285-H288 PolarHBondContact O-N 2.65Å; M285-G289 PolarHBondContact O-N 3.42Å; M285-E290 PolarHBondContact O-N 3.29Å; M285-E290 VanDerWaalsContact O-N 3.12Å; M285-P292 HydrophobicContact CE-CB 3.79Å; M285-P292 HydrophobicContact CE-CG 3.55Å; M285-P292 HydrophobicContact SD-CB 4.45Å; M285-P292 HydrophobicContact SD-CG 3.86Å
286E44.2Very low41.6Very low140 Ų14084.2 Ų84.265%0.65448%0.477SS*.Hα-helixtrans-65.8-34.9173.4-76.4175.4169.900112.6V282 H288 G289V282-E286 HydrophobicContact CG1-CG 4.18Å; V282-E286 WeakPolarHBondContact CG1-OE1 3.16Å; V282-E286 VanDerWaalsContact O-CB 3.31Å; V282-E286 WeakPolarHBondContact O-CB 3.45Å; V282-E286 VanDerWaalsContact O-CG 3.23Å; V282-E286 WeakPolarHBondContact O-CG 3.45Å; V282-E286 PolarHBondContact O-N 2.9Å; E286-H288 PolarHBondContact O-N 3Å; E286-G289 PolarHBondContact O-N 3.42Å
287Q41.3Very low40.3Very low152 Ų15283 Ų8371%0.7148%0.481SS*.Hα-helixtrans-66.7-21.9176.2-77.5173.57.100113.3K283K283-Q287 WeakPolarHBondContact O-CG 3.38Å; K283-Q287 PolarHBondContact O-N 3.27Å
288H44.9Very low39.4Very low120 Ų12087.9 Ų87.956%0.55649%0.487SS*.Hα-helixtrans-112.71.3-179-73.4-68.9000113.8P267 Q284 M285 E286P267-H288 HydrophobicContact CG-CB 3.39Å; Q284-H288 PolarHBondContact O-CD2 3.04Å; M285-H288 CarbonylContact O-C 3.55Å; M285-H288 PolarHBondContact O-N 2.65Å; E286-H288 PolarHBondContact O-N 3Å
289G34.6Very low38.7Very low69 Ų6988 Ų8871%0.71149%0.49SS*.THydrogen-bonded Turntrans82.326.9169.200000116.1M285 E286M285-G289 PolarHBondContact O-N 3.42Å; E286-G289 PolarHBondContact O-N 3.42Å
290E40.8Very low38.3Very low51 Ų5184.8 Ų84.824%0.23849%0.485CS..  trans-129.2154.2-171.5-58.1-162.3144.400115.2Q217 H266 M285Q217-E290 WeakPolarHBondContact CG-OE2 3.12Å; Q217-E290 VanDerWaalsContact NE2-CD 3.3Å; Q217-E290 PolarHBondContact NE2-OE2 2.66Å; H266-E290 IonicContact CE1-OE1 3.82Å; H266-E290 PolarHBondContact CE1-OE1 3.16Å; H266-E290 IonicContact CE1-OE2 3.55Å; H266-E290 PolarHBondContact CE1-OE2 2.8Å; H266-E290 IonicContact ND1-OE2 3.25Å; H266-E290 IonicContact NE2-OE1 2.92Å; H266-E290 PolarHBondContact NE2-OE1 3.11Å; H266-E290 IonicContact NE2-OE2 3.25Å; M285-E290 PolarHBondContact O-N 3.29Å; M285-E290 VanDerWaalsContact O-N 3.12Å
291V38.1Very low37.7Very low106 Ų10687.2 Ų87.264%0.64250%0.5SS*.  trans-115.5134.5-172.5-174.50000111.3
292P38.9Very low37.4Very low35 Ų3589 Ų8923%0.22751%0.513CS..  trans-67.1136.1-178.3-7.813.8000114.9L269 M285 G294 T295L269-P292 HydrophobicContact CD1-CB 3.73Å; M285-P292 HydrophobicContact CE-CB 3.79Å; M285-P292 HydrophobicContact CE-CG 3.55Å; M285-P292 HydrophobicContact SD-CB 4.45Å; M285-P292 HydrophobicContact SD-CG 3.86Å; P292-G294 PolarHBondContact O-N 3.09Å; P292-T295 HydrophobicContact CB-CG2 4.01Å; P292-T295 VanDerWaalsContact CD-OG1 3.27Å; P292-T295 WeakPolarHBondContact CD-OG1 3.43Å; P292-T295 HydrophobicContact CG-CG2 3.87Å; P292-T295 PolarHBondContact O-N 3.19Å; P292-T295 PolarHBondContact O-OG1 3.39Å
293L37.1Very low37.4Very low49 Ų4991.5 Ų91.526%0.25753%0.533SS..THydrogen-bonded Turntrans-69.2124.6164-12197.6000110.1M206 L209 G210 I214 L269M206-L293 HydrophobicContact CE-CB 4.4Å; M206-L293 HydrophobicContact CE-CD2 3.74Å; L209-L293 HydrophobicContact CB-CD2 4.25Å; G210-L293 VanDerWaalsContact CA-CD1 3.49Å; I214-L293 HydrophobicContact CD1-CD1 3.48Å; I214-L293 VanDerWaalsContact CD1-CD1 3.48Å; I214-L293 HydrophobicContact CG1-CD1 4.03Å; L269-L293 HydrophobicContact CD1-CB 4.15Å; L269-L293 HydrophobicContact CD2-CB 3.33Å; L269-L293 HydrophobicContact CD2-CG 4.5Å; L269-L293 HydrophobicContact CG-CB 4.37Å
294G38Very low37.7Very low37 Ų3786.2 Ų86.238%0.38152%0.517SS..THydrogen-bonded Turntrans104.7-12.4-166.200000113.5P292P292-G294 PolarHBondContact O-N 3.09Å
295T32.2Very low38.8Very low60 Ų6082.1 Ų82.137%0.36851%0.506SS..  trans-97.841.9162.8620000112.3P292 G297P292-T295 HydrophobicContact CB-CG2 4.01Å; P292-T295 VanDerWaalsContact CD-OG1 3.27Å; P292-T295 WeakPolarHBondContact CD-OG1 3.43Å; P292-T295 HydrophobicContact CG-CG2 3.87Å; P292-T295 PolarHBondContact O-N 3.19Å; P292-T295 PolarHBondContact O-OG1 3.39Å; T295-G297 PolarHBondContact O-N 3.04Å
296T34.6Very low40.2Very low143 Ų14384.3 Ų84.388%0.87752%0.52SS*.SBendtrans-79.169.8151.854.10000107.7
297G36Very low42.1Very low36 Ų3677.7 Ų77.737%0.37149%0.49SS..SBendtrans15693.9-177.200000111.8T295T295-G297 PolarHBondContact O-N 3.04Å
298Y26.5Very low44Very low169 Ų16970.7 Ų70.766%0.66346%0.458SS*.  trans86.579.8168.8-51.8-77.4000117
299S28.1Very low45.6Very low100 Ų10067.6 Ų67.670%0.69945%0.45SS*.SBendtrans-75.8105.9141.752.90000108.5
300S29.2Very low47.9Very low94 Ų9464.9 Ų64.966%0.65742%0.42SS*.SBendtrans58.9166.5170.8-48.80000114.9
301P29Very low50.1Low119 Ų11962.5 Ų62.577%0.77341%0.409SS*.SBendtrans-57.8128171.6-13.827.5000107.5S303P301-S303 PolarHBondContact O-N 3.28Å
302P35.8Very low52.1Low65 Ų6560.7 Ų60.742%0.42240%0.395SS..  trans-62.4120.4179.823.4-29.9000107.3G304P302-G304 PolarHBondContact O-N 3.47Å
303S44.3Very low53.9Low118 Ų11861.8 Ų61.883%0.82540%0.399SS*.THydrogen-bonded Turntrans-68.527.4176.956.30000113.2P301P301-S303 PolarHBondContact O-N 3.28Å
304G48.9Very low56.1Low24 Ų2459.7 Ų59.725%0.24739%0.388CS..THydrogen-bonded Turntrans-172.614.8-172.800000120.2P302P302-G304 PolarHBondContact O-N 3.47Å
305G67.3Low58.4Low29 Ų2962.7 Ų62.730%0.29939%0.388SS..Hα-helixtrans69.1-161.5173.400000116I307 G308 S309G305-I307 PolarHBondContact O-N 3.09Å; G305-I307 VanDerWaalsContact O-N 3.1Å; G305-G308 WeakPolarHBondContact O-CA 3.45Å; G305-G308 PolarHBondContact O-N 3.23Å; G305-S309 PolarHBondContact O-N 3.07Å
306P75.1Confident60.5Low54 Ų5463.2 Ų63.235%0.35141%0.405SS..Hα-helixtrans-57.1-23.1-176.2-24.834.5000115.4S309 T310 H338P306-S309 PolarHBondContact O-OG 3.2Å; P306-T310 PolarHBondContact O-N 3.32Å; P306-T310 PolarHBondContact O-OG1 3.19Å; P306-T310 VanDerWaalsContact O-OG1 3.05Å; P306-H338 WeakPolarHBondContact CD-CE1 3.37Å; P306-H338 VanDerWaalsContact CD-NE2 3.31Å; P306-H338 WeakPolarHBondContact CD-NE2 3.4Å
307I84.3Confident62.5Low1 Ų158.9 Ų58.91%0.00538%0.379CS..Hα-helixtrans-75.5-44.6174.4-55.9-55.6000110.1G305 S309 T310 F311 L334 H338 W342 S370 F373G305-I307 PolarHBondContact O-N 3.09Å; G305-I307 VanDerWaalsContact O-N 3.1Å; I307-S309 VanDerWaalsContact C-N 3.3Å; I307-S309 PolarHBondContact O-N 3.27Å; I307-T310 WeakPolarHBondContact O-CB 3.13Å; I307-T310 PolarHBondContact O-N 2.98Å; I307-F311 HydrophobicContact CG2-CD2 3.84Å; I307-F311 HydrophobicContact CG2-CE2 3.86Å; I307-F311 WeakPolarHBondContact O-CD2 3.43Å; I307-F311 PolarHBondContact O-N 3.07Å; I307-L334 HydrophobicContact CB-CD1 4.35Å; I307-L334 HydrophobicContact CD1-CD1 3.84Å; I307-L334 HydrophobicContact CG1-CD1 3.94Å; I307-L334 HydrophobicContact CG2-CD1 3.5Å; I307-L334 VanDerWaalsContact CG2-CD1 3.5Å; I307-H338 HydrophobicContact CG1-CB 3.67Å; I307-W342 HydrophobicContact CB-CZ2 4.21Å; I307-W342 HydrophobicContact CG2-CD2 3.79Å; I307-W342 VanDerWaalsContact CG2-CE2 3.42Å; I307-W342 HydrophobicContact CG2-CE3 4.46Å; I307-W342 HydrophobicContact CG2-CG 4.06Å; I307-W342 HydrophobicContact CG2-CZ2 3.83Å; I307-S370 WeakPolarHBondContact CD1-O 3.42Å; I307-F373 HydrophobicContact CD1-CB 4.42Å; I307-F373 HydrophobicContact CD1-CD1 3.49Å; I307-F373 VanDerWaalsContact CD1-CD1 3.49Å; I307-F373 HydrophobicContact CD1-CE1 4.12Å; I307-F373 HydrophobicContact CD1-CG 4.28Å; I307-F373 HydrophobicContact CG2-CD1 4.46Å; I307-F373 HydrophobicContact CG2-CE1 4.11Å
308G81.1Confident64.8Low5 Ų558.6 Ų58.65%0.05237%0.368CS..Hα-helixtrans-53.1-47175.200000112.4G305 T310 F311 D312 W342G305-G308 WeakPolarHBondContact O-CA 3.45Å; G305-G308 PolarHBondContact O-N 3.23Å; G308-T310 VanDerWaalsContact C-N 3.3Å; G308-T310 PolarHBondContact O-N 3.43Å; G308-F311 CarbonylContact O-C 3.59Å; G308-F311 PolarHBondContact O-N 3.49Å; G308-D312 PolarHBondContact O-N 3.02Å; G308-W342 VanDerWaalsContact CA-CH2 3.46Å
309S77.8Confident67.4Low55 Ų5554 Ų5439%0.38536%0.355SS..Hα-helixtrans-64.3-32.9178.162.60000113.5G305 P306 I307 D312 I313G305-S309 PolarHBondContact O-N 3.07Å; P306-S309 PolarHBondContact O-OG 3.2Å; I307-S309 VanDerWaalsContact C-N 3.3Å; I307-S309 PolarHBondContact O-N 3.27Å; S309-D312 WeakPolarHBondContact CA-OD2 3.2Å; S309-D312 WeakPolarHBondContact O-CB 3.49Å; S309-D312 PolarHBondContact O-N 3.23Å; S309-I313 WeakPolarHBondContact O-CD1 3.48Å; S309-I313 WeakPolarHBondContact O-CG1 3.32Å; S309-I313 PolarHBondContact O-N 2.89Å
310T83.2Confident70.1Confident13 Ų1354.6 Ų54.68%0.0835%0.347CS..Hα-helixtrans-65.9-41.7172.7-58.20000110.9P306 I307 G308 D312 I313 I314 F373 F377P306-T310 PolarHBondContact O-N 3.32Å; P306-T310 PolarHBondContact O-OG1 3.19Å; P306-T310 VanDerWaalsContact O-OG1 3.05Å; I307-T310 WeakPolarHBondContact O-CB 3.13Å; I307-T310 PolarHBondContact O-N 2.98Å; G308-T310 VanDerWaalsContact C-N 3.3Å; G308-T310 PolarHBondContact O-N 3.43Å; T310-D312 VanDerWaalsContact C-N 3.34Å; T310-I313 PolarHBondContact O-N 3.33Å; T310-I314 HydrophobicContact CG2-CD1 4.22Å; T310-I314 WeakPolarHBondContact O-CG1 3.37Å; T310-I314 PolarHBondContact O-N 3.19Å; T310-F373 HydrophobicContact CG2-CD1 4.43Å; T310-F373 HydrophobicContact CG2-CE1 3.52Å; T310-F373 HydrophobicContact CG2-CZ 4Å; T310-F377 HydrophobicContact CG2-CB 3.5Å; T310-F377 VanDerWaalsContact CG2-CB 3.5Å; T310-F377 HydrophobicContact CG2-CD1 4.05Å; T310-F377 HydrophobicContact CG2-CD2 4.37Å; T310-F377 HydrophobicContact CG2-CG 3.72Å
311F86.3Confident72.6Confident0 Ų055.6 Ų55.60%035%0.345CS..Hα-helixtrans-71.2-26.9175.9-82.8-86000113.7I307 G308 I314 R315 F332 W342 F343 A353 F373I307-F311 HydrophobicContact CG2-CD2 3.84Å; I307-F311 HydrophobicContact CG2-CE2 3.86Å; I307-F311 WeakPolarHBondContact O-CD2 3.43Å; I307-F311 PolarHBondContact O-N 3.07Å; G308-F311 CarbonylContact O-C 3.59Å; G308-F311 PolarHBondContact O-N 3.49Å; F311-I314 HydrophobicContact CD1-CD1 3.94Å; F311-I314 HydrophobicContact CE1-CD1 4.03Å; F311-I314 HydrophobicContact CG-CD1 4.25Å; F311-I314 HydrophobicContact CZ-CD1 4.42Å; F311-I314 PolarHBondContact O-N 2.63Å; F311-R315 WeakPolarHBondContact O-CG 3.5Å; F311-R315 PolarHBondContact O-N 3.27Å; F311-F332 HydrophobicContact CE1-CD2 4.19Å; F311-F332 HydrophobicContact CE1-CE2 4.2Å; F311-F332 AromaticContact CZ-CD2 3.59Å; F311-F332 HydrophobicContact CZ-CD2 3.59Å; F311-F332 AromaticContact CZ-CE2 3.93Å; F311-F332 HydrophobicContact CZ-CE2 3.93Å; F311-F332 HydrophobicContact CZ-CG 4.28Å; F311-W342 HydrophobicContact CB-CE3 3.86Å; F311-W342 HydrophobicContact CB-CZ3 3.75Å; F311-W342 HydrophobicContact CD1-CE3 4.01Å; F311-W342 HydrophobicContact CD2-CB 4.21Å; F311-W342 AromaticContact CD2-CD2 3.64Å; F311-W342 HydrophobicContact CD2-CD2 3.64Å; F311-W342 AromaticContact CD2-CE3 3.21Å; F311-W342 HydrophobicContact CD2-CE3 3.21Å; F311-W342 HydrophobicContact CD2-CG 4.08Å; F311-W342 AromaticContact CD2-CZ3 3.81Å; F311-W342 HydrophobicContact CD2-CZ3 3.81Å; F311-W342 HydrophobicContact CE1-CB 3.99Å; F311-W342 HydrophobicContact CE1-CE3 4.42Å; F311-W342 HydrophobicContact CE2-CB 3.42Å; F311-W342 VanDerWaalsContact CE2-CB 3.42Å; F311-W342 AromaticContact CE2-CD2 3.7Å; F311-W342 HydrophobicContact CE2-CD2 3.7Å; F311-W342 AromaticContact CE2-CE3 3.69Å; F311-W342 HydrophobicContact CE2-CE3 3.69Å; F311-W342 AromaticContact CE2-CG 3.6Å; F311-W342 HydrophobicContact CE2-CG 3.6Å; F311-W342 HydrophobicContact CG-CD2 4.26Å; F311-W342 AromaticContact CG-CE3 3.4Å; F311-W342 HydrophobicContact CG-CE3 3.4Å; F311-W342 AromaticContact CG-CZ3 3.84Å; F311-W342 HydrophobicContact CG-CZ3 3.84Å; F311-W342 HydrophobicContact CZ-CB 3.31Å; F311-W342 HydrophobicContact CZ-CD2 4.38Å; F311-W342 HydrophobicContact CZ-CE3 4.29Å; F311-W342 HydrophobicContact CZ-CG 4.03Å; F311-F343 VanDerWaalsContact CE1-O 3.25Å; F311-F343 WeakPolarHBondContact CE1-O 3.21Å; F311-A353 HydrophobicContact CD1-CB 3.97Å; F311-A353 HydrophobicContact CE1-CB 4.47Å; F311-F373 HydrophobicContact CD2-CE1 4.31Å; F311-F373 HydrophobicContact CD2-CZ 4.05Å; F311-F373 AromaticContact CE2-CE1 3.84Å; F311-F373 HydrophobicContact CE2-CE1 3.84Å; F311-F373 HydrophobicContact CE2-CE2 4.06Å; F311-F373 AromaticContact CE2-CZ 3.26Å; F311-F373 HydrophobicContact CE2-CZ 3.26Å; F311-F373 HydrophobicContact CZ-CE2 4.2Å; F311-F373 AromaticContact CZ-CZ 3.72Å; F311-F373 HydrophobicContact CZ-CZ 3.72Å
312D79.8Confident75.2Confident68 Ų6850.9 Ų50.936%0.36431%0.314SS..Hα-helixtrans-61.9-45.7168.5-67.9-42.3000111.2G308 S309 T310 I314 R315 G316G308-D312 PolarHBondContact O-N 3.02Å; S309-D312 WeakPolarHBondContact CA-OD2 3.2Å; S309-D312 WeakPolarHBondContact O-CB 3.49Å; S309-D312 PolarHBondContact O-N 3.23Å; T310-D312 VanDerWaalsContact C-N 3.34Å; D312-I314 VanDerWaalsContact C-N 3.34Å; D312-I314 PolarHBondContact O-N 3.46Å; D312-R315 PolarHBondContact O-N 3.46Å; D312-R315 IonicContact OD1-CZ 3.39Å; D312-R315 IonicContact OD1-NE 3.32Å; D312-R315 IonicContact OD1-NH2 2.63Å; D312-R315 PolarHBondContact OD1-NH2 3.38Å; D312-G316 PolarHBondContact O-N 3.31Å; D312-G316 VanDerWaalsContact O-N 3.09Å
313I78.2Confident77.7Confident59 Ų5948 Ų4830%0.30330%0.295SS..Hα-helixtrans-63-43.3175.9-64.2154.8000110.7S309 T310 R315 G316 V317 M411S309-I313 WeakPolarHBondContact O-CD1 3.48Å; S309-I313 WeakPolarHBondContact O-CG1 3.32Å; S309-I313 PolarHBondContact O-N 2.89Å; T310-I313 PolarHBondContact O-N 3.33Å; I313-R315 VanDerWaalsContact C-N 3.33Å; I313-R315 PolarHBondContact O-N 2.66Å; I313-G316 PolarHBondContact O-N 3.21Å; I313-V317 PolarHBondContact O-N 3.39Å; I313-M411 HydrophobicContact CG2-CE 4.08Å
314I83.1Confident79.7Confident5 Ų548.7 Ų48.73%0.02628%0.283CS..Hα-helixtrans-57.4-48.5176.3-69.5164.9000109.9T310 F311 D312 G316 V317 I318 L344 A353 F377 M411T310-I314 HydrophobicContact CG2-CD1 4.22Å; T310-I314 WeakPolarHBondContact O-CG1 3.37Å; T310-I314 PolarHBondContact O-N 3.19Å; F311-I314 HydrophobicContact CD1-CD1 3.94Å; F311-I314 HydrophobicContact CE1-CD1 4.03Å; F311-I314 HydrophobicContact CG-CD1 4.25Å; F311-I314 HydrophobicContact CZ-CD1 4.42Å; F311-I314 PolarHBondContact O-N 2.63Å; D312-I314 VanDerWaalsContact C-N 3.34Å; D312-I314 PolarHBondContact O-N 3.46Å; I314-G316 VanDerWaalsContact C-N 3.27Å; I314-G316 PolarHBondContact O-N 3.21Å; I314-V317 PolarHBondContact O-N 2.91Å; I314-I318 HydrophobicContact CG2-CD1 3.88Å; I314-I318 HydrophobicContact CG2-CG1 4.26Å; I314-I318 VanDerWaalsContact O-CG1 3.32Å; I314-I318 WeakPolarHBondContact O-CG1 3.49Å; I314-I318 PolarHBondContact O-N 3.4Å; I314-L344 HydrophobicContact CG2-CD1 3.66Å; I314-L344 HydrophobicContact CG2-CD2 4.23Å; I314-L344 HydrophobicContact CG2-CG 4.48Å; I314-A353 HydrophobicContact CG2-CB 3.94Å; I314-F377 HydrophobicContact CD1-CD1 3.9Å; I314-F377 HydrophobicContact CD1-CE1 3.53Å; I314-F377 HydrophobicContact CD1-CZ 4.13Å; I314-F377 HydrophobicContact CG1-CD1 4.22Å; I314-F377 HydrophobicContact CG1-CE1 4.04Å; I314-M411 HydrophobicContact CB-CE 4.35Å; I314-M411 HydrophobicContact CG1-CE 3.8Å
315R84.8Confident81.4Confident99 Ų9950 Ų5037%0.37429%0.292SS..Hα-helixtrans-56.4-38.7176.7-78.9-174.6-76.2-89.53113F311 D312 I313 V317 I318 A353F311-R315 WeakPolarHBondContact O-CG 3.5Å; F311-R315 PolarHBondContact O-N 3.27Å; D312-R315 PolarHBondContact O-N 3.46Å; D312-R315 IonicContact OD1-CZ 3.39Å; D312-R315 IonicContact OD1-NE 3.32Å; D312-R315 IonicContact OD1-NH2 2.63Å; D312-R315 PolarHBondContact OD1-NH2 3.38Å; I313-R315 VanDerWaalsContact C-N 3.33Å; I313-R315 PolarHBondContact O-N 2.66Å; R315-V317 PolarHBondContact O-N 2.99Å; R315-I318 PolarHBondContact O-N 3.09Å; R315-A353 HydrophobicContact CG-CB 4.21Å; R315-A353 PolarHBondContact NH1-O 3.11Å
316G76.8Confident82.3Confident72 Ų7248.9 Ų48.974%0.74228%0.279SS*.Hα-helixtrans-67.1-16.9177.800000115.3D312 I313 I314D312-G316 PolarHBondContact O-N 3.31Å; D312-G316 VanDerWaalsContact O-N 3.09Å; I313-G316 PolarHBondContact O-N 3.21Å; I314-G316 VanDerWaalsContact C-N 3.27Å; I314-G316 PolarHBondContact O-N 3.21Å
317V77.9Confident83.2Confident52 Ų5250.6 Ų50.632%0.31528%0.283SS..Hα-helixtrans-105.7-14.5-179.8-175.10000112.4I313 I314 R315 N319 M411I313-V317 PolarHBondContact O-N 3.39Å; I314-V317 PolarHBondContact O-N 2.91Å; R315-V317 PolarHBondContact O-N 2.99Å; V317-N319 PolarHBondContact O-N 2.92Å; V317-M411 HydrophobicContact CB-CE 4.33Å; V317-M411 HydrophobicContact CB-CG 4.41Å; V317-M411 HydrophobicContact CG1-CG 4Å; V317-M411 HydrophobicContact CG2-CE 4.11Å; V317-M411 HydrophobicContact CG2-CG 4.37Å
318I82.6Confident83.6Confident30 Ų3050.6 Ų50.615%0.15428%0.282CS..  trans-69.9126.5178.7-68168000109.7I314 R315 V323 L344 L346 S350 A353I314-I318 HydrophobicContact CG2-CD1 3.88Å; I314-I318 HydrophobicContact CG2-CG1 4.26Å; I314-I318 VanDerWaalsContact O-CG1 3.32Å; I314-I318 WeakPolarHBondContact O-CG1 3.49Å; I314-I318 PolarHBondContact O-N 3.4Å; R315-I318 PolarHBondContact O-N 3.09Å; I318-V323 HydrophobicContact CG2-CG2 4.48Å; I318-L344 HydrophobicContact CD1-CD1 3.47Å; I318-L344 VanDerWaalsContact CD1-CD1 3.47Å; I318-L344 HydrophobicContact CG1-CD1 4.07Å; I318-L346 HydrophobicContact CD1-CD2 4.41Å; I318-L346 HydrophobicContact CG1-CD2 3.91Å; I318-L346 HydrophobicContact CG2-CD2 4.15Å; I318-S350 WeakPolarHBondContact CG2-O 3.14Å; I318-A353 HydrophobicContact CD1-CB 3.77Å
319N82Confident84.3Confident73 Ų7350.4 Ų50.439%0.3928%0.28SS..  trans-151.9175.5170.762.239.2000109.8V317 D321 V322 V323V317-N319 PolarHBondContact O-N 2.92Å; N319-D321 PolarHBondContact O-N 3.3Å; N319-D321 WeakPolarHBondContact OD1-CB 3.49Å; N319-D321 PolarHBondContact OD1-N 3.14Å; N319-V322 PolarHBondContact O-N 3.34Å; N319-V322 VanDerWaalsContact O-N 3.16Å; N319-V322 WeakPolarHBondContact OD1-CG2 3.5Å; N319-V322 PolarHBondContact OD1-N 3.46Å; N319-V323 WeakPolarHBondContact O-CG2 3.47Å; N319-V323 PolarHBondContact O-N 2.88Å
320E84.4Confident85.2Confident111 Ų11147.8 Ų47.852%0.51926%0.262SS..Hα-helixtrans-57-34.3-179-69.9-166.3-172.500114V323 K324E320-V323 PolarHBondContact O-N 3.49Å; E320-K324 WeakPolarHBondContact O-CB 3.36Å; E320-K324 WeakPolarHBondContact O-CD 3.25Å; E320-K324 WeakPolarHBondContact O-CG 3.5Å; E320-K324 PolarHBondContact O-N 3.16Å; E320-K324 IonicContact OE2-NZ 3.53Å; E320-K324 PolarHBondContact OE2-NZ 2.68Å
321D82.8Confident85.9Confident116 Ų11649.7 Ų49.762%0.6227%0.268SS*.Hα-helixtrans-70-39.8-179.8-67.1-25.5000111.3N319 K324 A325N319-D321 PolarHBondContact O-N 3.3Å; N319-D321 WeakPolarHBondContact OD1-CB 3.49Å; N319-D321 PolarHBondContact OD1-N 3.14Å; D321-K324 PolarHBondContact O-N 3.41Å; D321-A325 VanDerWaalsContact O-CB 3.29Å; D321-A325 WeakPolarHBondContact O-CB 3.38Å; D321-A325 PolarHBondContact O-N 3.16Å
322V82.9Confident86.4Confident19 Ų1949.7 Ų49.712%0.11527%0.268CS..Hα-helixtrans-65.7-40.9174.5173.20000111N319 A325 T326 L346 L407N319-V322 PolarHBondContact O-N 3.34Å; N319-V322 VanDerWaalsContact O-N 3.16Å; N319-V322 WeakPolarHBondContact OD1-CG2 3.5Å; N319-V322 PolarHBondContact OD1-N 3.46Å; V322-A325 PolarHBondContact O-N 3.09Å; V322-T326 WeakPolarHBondContact O-CB 3.21Å; V322-T326 PolarHBondContact O-N 3.02Å; V322-T326 PolarHBondContact O-OG1 3.5Å; V322-L346 HydrophobicContact CG1-CD1 4.22Å; V322-L346 HydrophobicContact CG1-CD2 3.88Å; V322-L407 HydrophobicContact CG1-CD1 3.57Å; V322-L407 HydrophobicContact CG1-CD2 3.81Å; V322-L407 HydrophobicContact CG1-CG 4.35Å; V322-L407 HydrophobicContact CG2-CD1 4.21Å
323V87.5Confident87.1Confident6 Ų648.4 Ų48.44%0.03626%0.261CS..Hα-helixtrans-62.2-51175.21710000110.3I318 N319 E320 A325 T326 Q327 L346 S350I318-V323 HydrophobicContact CG2-CG2 4.48Å; N319-V323 WeakPolarHBondContact O-CG2 3.47Å; N319-V323 PolarHBondContact O-N 2.88Å; E320-V323 PolarHBondContact O-N 3.49Å; V323-A325 VanDerWaalsContact C-N 3.27Å; V323-A325 PolarHBondContact O-N 3.32Å; V323-T326 PolarHBondContact O-N 3.43Å; V323-Q327 WeakPolarHBondContact O-CG 3.34Å; V323-Q327 PolarHBondContact O-N 3.12Å; V323-Q327 PolarHBondContact O-NE2 2.88Å; V323-L346 HydrophobicContact CG2-CD2 4.19Å; V323-S350 WeakPolarHBondContact CG2-O 3.38Å
324K86.8Confident88Confident131 Ų13146.1 Ų46.157%0.5725%0.249SC*.Hα-helixtrans-59.3-37178.1-74.8166.4-169.2156.30112.1E320 D321 Q327E320-K324 WeakPolarHBondContact O-CB 3.36Å; E320-K324 WeakPolarHBondContact O-CD 3.25Å; E320-K324 WeakPolarHBondContact O-CG 3.5Å; E320-K324 PolarHBondContact O-N 3.16Å; E320-K324 IonicContact OE2-NZ 3.53Å; E320-K324 PolarHBondContact OE2-NZ 2.68Å; D321-K324 PolarHBondContact O-N 3.41Å; K324-Q327 WeakPolarHBondContact O-CG 3.27Å
325A83.9Confident88.2Confident52 Ų5248.8 Ų48.843%0.4327%0.268SS..Hα-helixtrans-73.6-33.9179.100000113.6D321 V322 V323 K403D321-A325 VanDerWaalsContact O-CB 3.29Å; D321-A325 WeakPolarHBondContact O-CB 3.38Å; D321-A325 PolarHBondContact O-N 3.16Å; V322-A325 PolarHBondContact O-N 3.09Å; V323-A325 VanDerWaalsContact C-N 3.27Å; V323-A325 PolarHBondContact O-N 3.32Å; A325-K403 PolarHBondContact O-NZ 2.82Å
326T88.1Confident88.3Confident6 Ų646 Ų464%0.03727%0.271CS..Hα-helixtrans-96.1-54.8-170.5-47.50000112V322 V323 Y330 L346 L400 K403V322-T326 WeakPolarHBondContact O-CB 3.21Å; V322-T326 PolarHBondContact O-N 3.02Å; V322-T326 PolarHBondContact O-OG1 3.5Å; V323-T326 PolarHBondContact O-N 3.43Å; T326-Y330 HydrophobicContact CG2-CE2 3.85Å; T326-Y330 WeakPolarHBondContact CG2-OH 3.49Å; T326-L346 HydrophobicContact CG2-CB 4.17Å; T326-L346 HydrophobicContact CG2-CD1 3.75Å; T326-L400 WeakPolarHBondContact O-CD2 3.47Å; T326-K403 HydrophobicContact CG2-CB 4.26Å; T326-K403 WeakPolarHBondContact O-CD 3.38Å; T326-K403 PolarHBondContact O-NZ 2.99Å; T326-K403 VanDerWaalsContact O-NZ 3.09Å
327Q92.1Very high88.3Confident90 Ų9050 Ų5042%0.42128%0.275SS..  trans56.150.5179-64.9-71.8-7000113.8V323 K324 L346V323-Q327 WeakPolarHBondContact O-CG 3.34Å; V323-Q327 PolarHBondContact O-N 3.12Å; V323-Q327 PolarHBondContact O-NE2 2.88Å; K324-Q327 WeakPolarHBondContact O-CG 3.27Å; Q327-L346 WeakPolarHBondContact CA-O 3.39Å; Q327-L346 PolarHBondContact N-O 2.92Å; Q327-L346 VanDerWaalsContact N-O 3.08Å
328G94.2Very high88.4Confident0 Ų051.1 Ų51.10%028%0.277CS..EExtended strand (participates in β ladder)trans-151.4150.2-178.100000114.4L346G328-L346 PolarHBondContact N-O 3.28Å; G328-L346 CarbonylContact O-C 3.57Å; G328-L346 WeakPolarHBondContact O-CA 3.32Å; G328-L346 WeakPolarHBondContact O-CB 3.47Å; G328-L346 PolarHBondContact O-N 2.91Å
329V95.8Very high88.6Confident1 Ų153.8 Ų53.81%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-105.8123.4173.3-174.30000110D345 K347 P358 A360 D363 V364V329-D345 HydrophobicContact CG2-CB 4.5Å; V329-K347 HydrophobicContact CG2-CB 3.82Å; V329-K347 HydrophobicContact CG2-CD 3.96Å; V329-P358 HydrophobicContact CG1-CB 3.61Å; V329-P358 HydrophobicContact CG1-CG 4.39Å; V329-A360 HydrophobicContact CG2-CB 4.42Å; V329-D363 PolarHBondContact N-OD2 3.28Å; V329-D363 PolarHBondContact O-N 3.19Å; V329-V364 PolarHBondContact O-N 2.96Å; V329-V364 VanDerWaalsContact O-N 3.15Å
330Y96.6Very high89Confident0 Ų051.4 Ų51.40%029%0.29CS..EExtended strand (participates in β ladder)trans-112.2135.6-177.8-54.4-93000110.4T326 F343 L344 L346 V364 M366 L400 L404T326-Y330 HydrophobicContact CG2-CE2 3.85Å; T326-Y330 WeakPolarHBondContact CG2-OH 3.49Å; Y330-F343 CarbonylContact O-C 3.35Å; Y330-F343 VanDerWaalsContact O-CA 3.22Å; Y330-F343 WeakPolarHBondContact O-CA 3.15Å; Y330-L344 HydrophobicContact CD2-CB 4.45Å; Y330-L344 HydrophobicContact CD2-CD2 4.3Å; Y330-L344 HydrophobicContact CD2-CG 4.19Å; Y330-L344 WeakPolarHBondContact CD2-O 3.34Å; Y330-L344 PolarHBondContact N-O 2.94Å; Y330-L344 PolarHBondContact O-N 3.43Å; Y330-L346 HydrophobicContact CE2-CD1 4.22Å; Y330-V364 CarbonylContact C-O 3.56Å; Y330-V364 WeakPolarHBondContact CA-O 3.25Å; Y330-V364 HydrophobicContact CD1-CB 3.75Å; Y330-V364 HydrophobicContact CD1-CG1 4.27Å; Y330-V364 HydrophobicContact CD1-CG2 4.04Å; Y330-V364 HydrophobicContact CE1-CB 4.16Å; Y330-V364 HydrophobicContact CE1-CG2 3.93Å; Y330-M366 HydrophobicContact CD1-CE 4.3Å; Y330-L400 HydrophobicContact CE1-CB 4.26Å; Y330-L400 VanDerWaalsContact CE1-O 3.32Å; Y330-L400 WeakPolarHBondContact CE1-O 3.43Å; Y330-L400 PolarHBondContact OH-O 2.67Å; Y330-L404 HydrophobicContact CD1-CB 4.3Å; Y330-L404 HydrophobicContact CD1-CD2 3.84Å; Y330-L404 HydrophobicContact CD1-CG 4.48Å; Y330-L404 HydrophobicContact CD2-CD1 4.44Å; Y330-L404 HydrophobicContact CE1-CB 3.69Å; Y330-L404 HydrophobicContact CE1-CD2 4.1Å; Y330-L404 HydrophobicContact CE1-CG 4.32Å; Y330-L404 HydrophobicContact CE2-CD1 4.36Å; Y330-L404 HydrophobicContact CG-CD2 4.27Å
331R96.9Very high89.4Confident53 Ų5347.9 Ų47.920%0.228%0.276CS..EExtended strand (participates in β ladder)trans-114.9137.5170.2174.4179.5165.1148.57.6109.1D333 V341 W342 E357 P358 A362 V364 V365 M366R331-D333 IonicContact CZ-OD1 2.76Å; R331-D333 VanDerWaalsContact CZ-OD1 3.26Å; R331-D333 IonicContact NE-OD1 3.56Å; R331-D333 PolarHBondContact NE-OD1 3.18Å; R331-D333 IonicContact NE-OD2 3.07Å; R331-D333 IonicContact NH2-OD1 3.94Å; R331-D333 PolarHBondContact NH2-OD1 3.16Å; R331-D333 IonicContact NH2-OD2 3.64Å; R331-V341 HydrophobicContact CG-CG1 3.89Å; R331-W342 CarbonylContact C-O 3.37Å; R331-W342 WeakPolarHBondContact CA-O 3.37Å; R331-E357 IonicContact CZ-OE1 2.69Å; R331-E357 VanDerWaalsContact CZ-OE1 3.24Å; R331-E357 IonicContact CZ-OE2 3.24Å; R331-E357 IonicContact NH1-OE1 2.9Å; R331-E357 PolarHBondContact NH1-OE1 3.16Å; R331-E357 IonicContact NH1-OE2 3.29Å; R331-E357 PolarHBondContact NH1-OE2 3.35Å; R331-E357 IonicContact NH2-OE1 3.26Å; R331-E357 PolarHBondContact NH2-OE1 2.95Å; R331-P358 HydrophobicContact CB-CG 4.45Å; R331-A362 HydrophobicContact CB-CB 3.76Å; R331-V364 PolarHBondContact N-O 3.14Å; R331-V365 HydrophobicContact CB-CG1 4.47Å; R331-V365 HydrophobicContact CB-CG2 4.29Å; R331-V365 HydrophobicContact CG-CG1 4.31Å; R331-V365 CarbonylContact O-C 3.52Å; R331-V365 WeakPolarHBondContact O-CA 3.22Å; R331-M366 PolarHBondContact O-N 3.38Å
332F96.9Very high90Very high0 Ų043 Ų430%025%0.249CC..EExtended strand (participates in β ladder)trans-116.5115.1176.3-55.5-88.6000108.9F311 L334 V341 W342 L344 M366 M368 F373 F377 L404F311-F332 HydrophobicContact CE1-CD2 4.19Å; F311-F332 HydrophobicContact CE1-CE2 4.2Å; F311-F332 AromaticContact CZ-CD2 3.59Å; F311-F332 HydrophobicContact CZ-CD2 3.59Å; F311-F332 AromaticContact CZ-CE2 3.93Å; F311-F332 HydrophobicContact CZ-CE2 3.93Å; F311-F332 HydrophobicContact CZ-CG 4.28Å; F332-L334 HydrophobicContact CB-CD2 4.19Å; F332-L334 HydrophobicContact CB-CG 4.33Å; F332-V341 CarbonylContact O-C 3.56Å; F332-V341 WeakPolarHBondContact O-CA 3.48Å; F332-W342 HydrophobicContact CB-CB 4.34Å; F332-W342 PolarHBondContact N-O 2.61Å; F332-W342 PolarHBondContact O-N 2.81Å; F332-L344 HydrophobicContact CE2-CB 3.97Å; F332-M366 CarbonylContact C-O 3.45Å; F332-M366 VanDerWaalsContact CA-O 3.28Å; F332-M366 WeakPolarHBondContact CA-O 3.43Å; F332-M366 HydrophobicContact CD1-CB 3.87Å; F332-M366 HydrophobicContact CD1-CG 4.49Å; F332-M366 HydrophobicContact CD1-SD 4.34Å; F332-M366 HydrophobicContact CE1-CB 4.26Å; F332-M366 HydrophobicContact CE1-CG 4.41Å; F332-M366 HydrophobicContact CE1-SD 3.78Å; F332-M368 HydrophobicContact CD1-CE 4.49Å; F332-F373 HydrophobicContact CB-CE2 4.44Å; F332-F373 HydrophobicContact CD1-CD2 4.1Å; F332-F373 AromaticContact CD1-CE2 3.69Å; F332-F373 HydrophobicContact CD1-CE2 3.69Å; F332-F373 HydrophobicContact CD2-CE2 4.5Å; F332-F373 AromaticContact CE1-CE2 3.99Å; F332-F373 HydrophobicContact CE1-CE2 3.99Å; F332-F373 AromaticContact CG-CE2 3.96Å; F332-F373 HydrophobicContact CG-CE2 3.96Å; F332-F373 HydrophobicContact CZ-CE2 4.5Å; F332-F377 HydrophobicContact CE1-CE2 4.19Å; F332-F377 HydrophobicContact CE1-CZ 4.17Å; F332-F377 HydrophobicContact CZ-CE2 4.49Å; F332-F377 HydrophobicContact CZ-CZ 4.04Å; F332-L404 HydrophobicContact CE1-CD2 4.07Å; F332-L404 HydrophobicContact CZ-CD2 3.84Å
333D95.3Very high90.6Very high41 Ų4143.3 Ų43.322%0.21925%0.249CC..EExtended strand (participates in β ladder)trans-97101.2172.4-67.6-33000108.1R331 V365 M366 T367 M368R331-D333 IonicContact CZ-OD1 2.76Å; R331-D333 VanDerWaalsContact CZ-OD1 3.26Å; R331-D333 IonicContact NE-OD1 3.56Å; R331-D333 PolarHBondContact NE-OD1 3.18Å; R331-D333 IonicContact NE-OD2 3.07Å; R331-D333 IonicContact NH2-OD1 3.94Å; R331-D333 PolarHBondContact NH2-OD1 3.16Å; R331-D333 IonicContact NH2-OD2 3.64Å; D333-V365 VanDerWaalsContact OD2-CG1 3.25Å; D333-V365 WeakPolarHBondContact OD2-CG1 3.25Å; D333-M366 PolarHBondContact N-O 3.35Å; D333-T367 HydrophobicContact CB-CG2 4.16Å; D333-T367 VanDerWaalsContact O-CA 3.32Å; D333-T367 WeakPolarHBondContact O-CA 3.4Å; D333-M368 PolarHBondContact O-N 3.04Å
334L95.8Very high90.9Very high11 Ų1143.2 Ų43.26%0.05825%0.248CC..EExtended strand (participates in β ladder)trans-98.4136.3-174.5-55.6-177.6000111.7I307 F332 S339 G340 M368 F373I307-L334 HydrophobicContact CB-CD1 4.35Å; I307-L334 HydrophobicContact CD1-CD1 3.84Å; I307-L334 HydrophobicContact CG1-CD1 3.94Å; I307-L334 HydrophobicContact CG2-CD1 3.5Å; I307-L334 VanDerWaalsContact CG2-CD1 3.5Å; F332-L334 HydrophobicContact CB-CD2 4.19Å; F332-L334 HydrophobicContact CB-CG 4.33Å; L334-S339 CarbonylContact O-C 3.58Å; L334-S339 WeakPolarHBondContact O-CA 3.28Å; L334-S339 WeakPolarHBondContact O-CB 3.18Å; L334-G340 WeakPolarHBondContact CB-O 3.29Å; L334-G340 PolarHBondContact N-O 2.86Å; L334-G340 PolarHBondContact O-N 2.79Å; L334-M368 WeakPolarHBondContact CA-O 3.42Å; L334-M368 HydrophobicContact CD2-CG 3.72Å; L334-F373 HydrophobicContact CD1-CB 4.45Å; L334-F373 HydrophobicContact CD1-CD1 4.27Å; L334-F373 HydrophobicContact CD1-CD2 4.33Å; L334-F373 HydrophobicContact CD1-CG 4.1Å; L334-F373 HydrophobicContact CD2-CB 3.85Å; L334-F373 HydrophobicContact CD2-CD2 3.8Å; L334-F373 HydrophobicContact CD2-CG 3.95Å
335S89.1Confident91.3Very high61 Ų6137.1 Ų37.143%0.42722%0.222SC..EExtended strand (participates in β ladder)trans-111.3175.3172.363.10000112.1M368 S370S335-M368 PolarHBondContact N-O 2.89Å; S335-S370 WeakPolarHBondContact O-CB 3.32Å; S335-S370 PolarHBondContact O-N 3.36Å; S335-S370 PolarHBondContact O-OG 3.35Å; S335-S370 VanDerWaalsContact O-OG 3.04Å
336G86.5Confident91.7Very high41 Ų4134.6 Ų34.642%0.42320%0.202SC..SBendtrans88.9-154.1177.600000113.6H338 S339 D369G336-H338 PolarHBondContact O-N 2.82Å; G336-H338 VanDerWaalsContact O-N 3.12Å; G336-S339 PolarHBondContact O-N 2.73Å; G336-D369 WeakPolarHBondContact CA-OD2 3.39Å
337D75.7Confident91.9Very high157 Ų15739 Ų3984%0.8422%0.22SC*.THydrogen-bonded Turntrans-59.3-27.1-171.2-64.4-19.4000113.8
338H81.3Confident91.5Very high75 Ų7537.2 Ų37.235%0.34722%0.218SC..THydrogen-bonded Turntrans-124.357.5175.8-58.1-77.2000111.1P306 I307 G336 S370P306-H338 WeakPolarHBondContact CD-CE1 3.37Å; P306-H338 VanDerWaalsContact CD-NE2 3.31Å; P306-H338 WeakPolarHBondContact CD-NE2 3.4Å; I307-H338 HydrophobicContact CG1-CB 3.67Å; G336-H338 PolarHBondContact O-N 2.82Å; G336-H338 VanDerWaalsContact O-N 3.12Å; H338-S370 PolarHBondContact N-OG 3.15Å
339S86.3Confident91.1Very high85 Ų8540.6 Ų40.659%0.59425%0.252SS*.  trans-64.4147.8177.972.90000112.9L334 G336L334-S339 CarbonylContact O-C 3.58Å; L334-S339 WeakPolarHBondContact O-CA 3.28Å; L334-S339 WeakPolarHBondContact O-CB 3.18Å; G336-S339 PolarHBondContact O-N 2.73Å
340G89.9Confident90.5Very high23 Ų2344.2 Ų44.224%0.23728%0.278CS..EExtended strand (participates in β ladder)trans157.4166.8177.300000113L334L334-G340 WeakPolarHBondContact CB-O 3.29Å; L334-G340 PolarHBondContact N-O 2.86Å; L334-G340 PolarHBondContact O-N 2.79Å
341V92.8Very high90.1Very high37 Ų3744.9 Ų44.922%0.22428%0.284CS..EExtended strand (participates in β ladder)trans-95.4135.9174.1-173.20000108.7R331 F332 G356R331-V341 HydrophobicContact CG-CG1 3.89Å; F332-V341 CarbonylContact O-C 3.56Å; F332-V341 WeakPolarHBondContact O-CA 3.48Å; V341-G356 WeakPolarHBondContact CG1-O 3.23Å; V341-G356 PolarHBondContact O-N 3Å
342W95.7Very high89.8Confident13 Ų1344.5 Ų44.55%0.04929%0.29CS..EExtended strand (participates in β ladder)trans-135.9160.5175.3-64.976.2000110.4I307 G308 F311 R331 F332 G354 Q355I307-W342 HydrophobicContact CB-CZ2 4.21Å; I307-W342 HydrophobicContact CG2-CD2 3.79Å; I307-W342 VanDerWaalsContact CG2-CE2 3.42Å; I307-W342 HydrophobicContact CG2-CE3 4.46Å; I307-W342 HydrophobicContact CG2-CG 4.06Å; I307-W342 HydrophobicContact CG2-CZ2 3.83Å; G308-W342 VanDerWaalsContact CA-CH2 3.46Å; F311-W342 HydrophobicContact CB-CE3 3.86Å; F311-W342 HydrophobicContact CB-CZ3 3.75Å; F311-W342 HydrophobicContact CD1-CE3 4.01Å; F311-W342 HydrophobicContact CD2-CB 4.21Å; F311-W342 AromaticContact CD2-CD2 3.64Å; F311-W342 HydrophobicContact CD2-CD2 3.64Å; F311-W342 AromaticContact CD2-CE3 3.21Å; F311-W342 HydrophobicContact CD2-CE3 3.21Å; F311-W342 HydrophobicContact CD2-CG 4.08Å; F311-W342 AromaticContact CD2-CZ3 3.81Å; F311-W342 HydrophobicContact CD2-CZ3 3.81Å; F311-W342 HydrophobicContact CE1-CB 3.99Å; F311-W342 HydrophobicContact CE1-CE3 4.42Å; F311-W342 HydrophobicContact CE2-CB 3.42Å; F311-W342 VanDerWaalsContact CE2-CB 3.42Å; F311-W342 AromaticContact CE2-CD2 3.7Å; F311-W342 HydrophobicContact CE2-CD2 3.7Å; F311-W342 AromaticContact CE2-CE3 3.69Å; F311-W342 HydrophobicContact CE2-CE3 3.69Å; F311-W342 AromaticContact CE2-CG 3.6Å; F311-W342 HydrophobicContact CE2-CG 3.6Å; F311-W342 HydrophobicContact CG-CD2 4.26Å; F311-W342 AromaticContact CG-CE3 3.4Å; F311-W342 HydrophobicContact CG-CE3 3.4Å; F311-W342 AromaticContact CG-CZ3 3.84Å; F311-W342 HydrophobicContact CG-CZ3 3.84Å; F311-W342 HydrophobicContact CZ-CB 3.31Å; F311-W342 HydrophobicContact CZ-CD2 4.38Å; F311-W342 HydrophobicContact CZ-CE3 4.29Å; F311-W342 HydrophobicContact CZ-CG 4.03Å; R331-W342 CarbonylContact C-O 3.37Å; R331-W342 WeakPolarHBondContact CA-O 3.37Å; F332-W342 HydrophobicContact CB-CB 4.34Å; F332-W342 PolarHBondContact N-O 2.61Å; F332-W342 PolarHBondContact O-N 2.81Å; W342-G354 CarbonylContact C-O 3.57Å; W342-G354 WeakPolarHBondContact CA-O 3.25Å; W342-G354 VanDerWaalsContact CE3-C 3.48Å; W342-Q355 HydrophobicContact CD2-CB 3.95Å; W342-Q355 HydrophobicContact CD2-CG 4.08Å; W342-Q355 HydrophobicContact CE3-CB 3.81Å; W342-Q355 HydrophobicContact CE3-CG 4.43Å; W342-Q355 HydrophobicContact CH2-CB 3.76Å; W342-Q355 HydrophobicContact CH2-CG 4.16Å; W342-Q355 HydrophobicContact CZ2-CB 3.91Å; W342-Q355 HydrophobicContact CZ2-CG 3.78Å; W342-Q355 HydrophobicContact CZ3-CB 3.72Å; W342-Q355 HydrophobicContact CZ3-CG 4.48Å
343F95.6Very high89.6Confident27 Ų2745 Ų4512%0.11829%0.294CS..EExtended strand (participates in β ladder)trans-139.4158.118076.1-90.9000113.9F311 Y330 D345 A353 G354 P358 P359F311-F343 VanDerWaalsContact CE1-O 3.25Å; F311-F343 WeakPolarHBondContact CE1-O 3.21Å; Y330-F343 CarbonylContact O-C 3.35Å; Y330-F343 VanDerWaalsContact O-CA 3.22Å; Y330-F343 WeakPolarHBondContact O-CA 3.15Å; F343-D345 HydrophobicContact CD2-CB 4.45Å; F343-A353 WeakPolarHBondContact O-CA 3.45Å; F343-A353 WeakPolarHBondContact O-CB 3.27Å; F343-G354 VanDerWaalsContact CD1-O 3.29Å; F343-G354 WeakPolarHBondContact CD1-O 3.44Å; F343-G354 PolarHBondContact N-O 3.19Å; F343-G354 PolarHBondContact O-N 3.39Å; F343-P358 HydrophobicContact CB-CB 3.71Å; F343-P358 HydrophobicContact CB-CG 4.44Å; F343-P358 HydrophobicContact CD2-CB 4.35Å; F343-P358 HydrophobicContact CG-CB 4.08Å; F343-P359 VanDerWaalsContact CE2-CD 3.47Å; F343-P359 HydrophobicContact CE2-CG 4.17Å
344L94.6Very high89.4Confident3 Ų343.5 Ų43.52%0.01629%0.288CS..EExtended strand (participates in β ladder)trans-137.4107.8171169.459000108.4I314 I318 Y330 F332 L346 S352 A353 L404I314-L344 HydrophobicContact CG2-CD1 3.66Å; I314-L344 HydrophobicContact CG2-CD2 4.23Å; I314-L344 HydrophobicContact CG2-CG 4.48Å; I318-L344 HydrophobicContact CD1-CD1 3.47Å; I318-L344 VanDerWaalsContact CD1-CD1 3.47Å; I318-L344 HydrophobicContact CG1-CD1 4.07Å; Y330-L344 HydrophobicContact CD2-CB 4.45Å; Y330-L344 HydrophobicContact CD2-CD2 4.3Å; Y330-L344 HydrophobicContact CD2-CG 4.19Å; Y330-L344 WeakPolarHBondContact CD2-O 3.34Å; Y330-L344 PolarHBondContact N-O 2.94Å; Y330-L344 PolarHBondContact O-N 3.43Å; F332-L344 HydrophobicContact CE2-CB 3.97Å; L344-L346 HydrophobicContact CD1-CD1 4.12Å; L344-L346 HydrophobicContact CD1-CD2 3.8Å; L344-L346 HydrophobicContact CD1-CG 3.7Å; L344-L346 HydrophobicContact CD2-CD1 3.9Å; L344-L346 HydrophobicContact CD2-CG 4.32Å; L344-L346 HydrophobicContact CG-CD1 3.96Å; L344-L346 HydrophobicContact CG-CD2 4.47Å; L344-L346 HydrophobicContact CG-CG 3.82Å; L344-S352 CarbonylContact C-O 3.59Å; L344-A353 HydrophobicContact CB-CB 4.47Å; L344-A353 HydrophobicContact CD1-CB 3.93Å; L344-L404 HydrophobicContact CD2-CD1 3.63Å
345D93.9Very high89.2Confident3 Ų348.1 Ų48.12%0.01631%0.31CS..EExtended strand (participates in β ladder)trans-94109.6172.8-177.2-6.2000109.5V329 F343 K347 S348 G351 S352 P359V329-D345 HydrophobicContact CG2-CB 4.5Å; F343-D345 HydrophobicContact CD2-CB 4.45Å; D345-K347 WeakPolarHBondContact OD1-CA 3.33Å; D345-K347 WeakPolarHBondContact OD1-CB 3.48Å; D345-K347 PolarHBondContact OD1-N 3.4Å; D345-S348 PolarHBondContact OD1-N 3.29Å; D345-S348 PolarHBondContact OD1-OG 3.41Å; D345-S348 WeakPolarHBondContact OD2-CB 3.4Å; D345-S348 PolarHBondContact OD2-OG 2.86Å; D345-G351 CarbonylContact O-C 3.59Å; D345-G351 WeakPolarHBondContact O-CA 3.23Å; D345-S352 PolarHBondContact N-O 2.79Å; D345-S352 PolarHBondContact O-N 2.93Å; D345-P359 HydrophobicContact CB-CG 4.3Å
346L93.1Very high89.2Confident0 Ų046.6 Ų46.60%030%0.303CS..EExtended strand (participates in β ladder)trans-11533.1172.7-63.3175.5000111.2I318 V322 V323 T326 Q327 G328 Y330 L344 L407I318-L346 HydrophobicContact CD1-CD2 4.41Å; I318-L346 HydrophobicContact CG1-CD2 3.91Å; I318-L346 HydrophobicContact CG2-CD2 4.15Å; V322-L346 HydrophobicContact CG1-CD1 4.22Å; V322-L346 HydrophobicContact CG1-CD2 3.88Å; V323-L346 HydrophobicContact CG2-CD2 4.19Å; T326-L346 HydrophobicContact CG2-CB 4.17Å; T326-L346 HydrophobicContact CG2-CD1 3.75Å; Q327-L346 WeakPolarHBondContact CA-O 3.39Å; Q327-L346 PolarHBondContact N-O 2.92Å; Q327-L346 VanDerWaalsContact N-O 3.08Å; G328-L346 PolarHBondContact N-O 3.28Å; G328-L346 CarbonylContact O-C 3.57Å; G328-L346 WeakPolarHBondContact O-CA 3.32Å; G328-L346 WeakPolarHBondContact O-CB 3.47Å; G328-L346 PolarHBondContact O-N 2.91Å; Y330-L346 HydrophobicContact CE2-CD1 4.22Å; L344-L346 HydrophobicContact CD1-CD1 4.12Å; L344-L346 HydrophobicContact CD1-CD2 3.8Å; L344-L346 HydrophobicContact CD1-CG 3.7Å; L344-L346 HydrophobicContact CD2-CD1 3.9Å; L344-L346 HydrophobicContact CD2-CG 4.32Å; L344-L346 HydrophobicContact CG-CD1 3.96Å; L344-L346 HydrophobicContact CG-CD2 4.47Å; L344-L346 HydrophobicContact CG-CG 3.82Å; L346-L407 HydrophobicContact CD1-CD2 3.44Å; L346-L407 VanDerWaalsContact CD1-CD2 3.44Å
347K91.4Very high89.5Confident97 Ų9750 Ų5042%0.42231%0.309SS..SBendtrans-125.4-36.7-177.4-166.4177.2-168167.60111.9V329 D345 D363V329-K347 HydrophobicContact CG2-CB 3.82Å; V329-K347 HydrophobicContact CG2-CD 3.96Å; D345-K347 WeakPolarHBondContact OD1-CA 3.33Å; D345-K347 WeakPolarHBondContact OD1-CB 3.48Å; D345-K347 PolarHBondContact OD1-N 3.4Å; K347-D363 IonicContact NZ-OD1 3.86Å; K347-D363 PolarHBondContact NZ-OD1 3Å; K347-D363 IonicContact NZ-OD2 2.76Å; K347-D363 PolarHBondContact NZ-OD2 3.48Å; K347-D363 VanDerWaalsContact NZ-OD2 3.09Å
348S84.9Confident90.2Very high54 Ų5443.5 Ų43.538%0.37828%0.275SS..SBendtrans-101.2136.7-174.7-39.30000112.4D345 S350 G351D345-S348 PolarHBondContact OD1-N 3.29Å; D345-S348 PolarHBondContact OD1-OG 3.41Å; D345-S348 WeakPolarHBondContact OD2-CB 3.4Å; D345-S348 PolarHBondContact OD2-OG 2.86Å; S348-S350 PolarHBondContact O-N 3.22Å; S348-G351 WeakPolarHBondContact O-CA 3.43Å; S348-G351 PolarHBondContact O-N 3.17Å
349G85.6Confident90.3Very high70 Ų7044.1 Ų44.172%0.72229%0.286SS*.THydrogen-bonded Turntrans52.8-133172.300000113.5G351G349-G351 VanDerWaalsContact C-N 3.25Å
350S82.9Confident90.4Very high77 Ų7742 Ų4254%0.53827%0.273SS..THydrogen-bonded Turntrans-82.21172.758.60000113.8I318 V323 S348I318-S350 WeakPolarHBondContact CG2-O 3.14Å; V323-S350 WeakPolarHBondContact CG2-O 3.38Å; S348-S350 PolarHBondContact O-N 3.22Å
351G88.6Confident90.5Very high14 Ų1450.1 Ų50.114%0.14430%0.302CS..  trans85.8157.7-173.800000113.1D345 S348 G349D345-G351 CarbonylContact O-C 3.59Å; D345-G351 WeakPolarHBondContact O-CA 3.23Å; S348-G351 WeakPolarHBondContact O-CA 3.43Å; S348-G351 PolarHBondContact O-N 3.17Å; G349-G351 VanDerWaalsContact C-N 3.25Å
352S90.7Very high90.6Very high45 Ų4549.5 Ų49.532%0.31530%0.3SS..EExtended strand (participates in β ladder)trans-152.7157.6179.463.20000112L344 D345L344-S352 CarbonylContact C-O 3.59Å; D345-S352 PolarHBondContact N-O 2.79Å; D345-S352 PolarHBondContact O-N 2.93Å
353A92.5Very high90.6Very high10 Ų1051 Ų518%0.08331%0.309CS..EExtended strand (participates in β ladder)trans-152.3144.617500000110.7F311 I314 R315 I318 F343 L344F311-A353 HydrophobicContact CD1-CB 3.97Å; F311-A353 HydrophobicContact CE1-CB 4.47Å; I314-A353 HydrophobicContact CG2-CB 3.94Å; R315-A353 HydrophobicContact CG-CB 4.21Å; R315-A353 PolarHBondContact NH1-O 3.11Å; I318-A353 HydrophobicContact CD1-CB 3.77Å; F343-A353 WeakPolarHBondContact O-CA 3.45Å; F343-A353 WeakPolarHBondContact O-CB 3.27Å; L344-A353 HydrophobicContact CB-CB 4.47Å; L344-A353 HydrophobicContact CD1-CB 3.93Å
354G90.6Very high90.7Very high10 Ų1049.7 Ų49.710%0.10330%0.304CS..EExtended strand (participates in β ladder)trans-175.6176.6-172.600000114.5W342 F343W342-G354 CarbonylContact C-O 3.57Å; W342-G354 WeakPolarHBondContact CA-O 3.25Å; W342-G354 VanDerWaalsContact CE3-C 3.48Å; F343-G354 VanDerWaalsContact CD1-O 3.29Å; F343-G354 WeakPolarHBondContact CD1-O 3.44Å; F343-G354 PolarHBondContact N-O 3.19Å; F343-G354 PolarHBondContact O-N 3.39Å
355Q91.9Very high90.8Very high108 Ų10851 Ų5151%0.50531%0.312SS..EExtended strand (participates in β ladder)trans-82.1142.3171.9-167.6176.713.300109.6W342W342-Q355 HydrophobicContact CD2-CB 3.95Å; W342-Q355 HydrophobicContact CD2-CG 4.08Å; W342-Q355 HydrophobicContact CE3-CB 3.81Å; W342-Q355 HydrophobicContact CE3-CG 4.43Å; W342-Q355 HydrophobicContact CH2-CB 3.76Å; W342-Q355 HydrophobicContact CH2-CG 4.16Å; W342-Q355 HydrophobicContact CZ2-CB 3.91Å; W342-Q355 HydrophobicContact CZ2-CG 3.78Å; W342-Q355 HydrophobicContact CZ3-CB 3.72Å; W342-Q355 HydrophobicContact CZ3-CG 4.48Å
356G89.9Confident90.9Very high29 Ų2951.2 Ų51.230%0.29931%0.313SS..SBendtrans104.9-166.4-179.700000113.4V341V341-G356 WeakPolarHBondContact CG1-O 3.23Å; V341-G356 PolarHBondContact O-N 3Å
357E91.8Very high91.1Very high114 Ų11454 Ų5453%0.53333%0.33SS..SBendtrans-70.6143179.7-68.9-65.616200111.5R331R331-E357 IonicContact CZ-OE1 2.69Å; R331-E357 VanDerWaalsContact CZ-OE1 3.24Å; R331-E357 IonicContact CZ-OE2 3.24Å; R331-E357 IonicContact NH1-OE1 2.9Å; R331-E357 PolarHBondContact NH1-OE1 3.16Å; R331-E357 IonicContact NH1-OE2 3.29Å; R331-E357 PolarHBondContact NH1-OE2 3.35Å; R331-E357 IonicContact NH2-OE1 3.26Å; R331-E357 PolarHBondContact NH2-OE1 2.95Å
358P90.8Very high91.3Very high19 Ų1949.7 Ų49.712%0.12331%0.312CS..  trans-62147.7173.825.1-31.8000111.5V329 R331 F343 A360 A362V329-P358 HydrophobicContact CG1-CB 3.61Å; V329-P358 HydrophobicContact CG1-CG 4.39Å; R331-P358 HydrophobicContact CB-CG 4.45Å; F343-P358 HydrophobicContact CB-CB 3.71Å; F343-P358 HydrophobicContact CB-CG 4.44Å; F343-P358 HydrophobicContact CD2-CB 4.35Å; F343-P358 HydrophobicContact CG-CB 4.08Å; P358-A360 VanDerWaalsContact CB-O 3.28Å; P358-A360 WeakPolarHBondContact CB-O 3.14Å; P358-A360 WeakPolarHBondContact CG-O 3.48Å; P358-A360 PolarHBondContact O-N 2.78Å; P358-A360 VanDerWaalsContact O-N 3.16Å; P358-A362 HydrophobicContact CG-CB 4.16Å
359P82.3Confident91.8Very high89 Ų8950.1 Ų50.158%0.57831%0.309SS*.SBendtrans-67.1-16.418027.9-35.4000113.1F343 D345F343-P359 VanDerWaalsContact CE2-CD 3.47Å; F343-P359 HydrophobicContact CE2-CG 4.17Å; D345-P359 HydrophobicContact CB-CG 4.3Å
360A89Confident92.1Very high41 Ų4147 Ų4734%0.33928%0.276SS..SBendtrans-133165.2173.600000110.3V329 P358 A362V329-A360 HydrophobicContact CG2-CB 4.42Å; P358-A360 VanDerWaalsContact CB-O 3.28Å; P358-A360 WeakPolarHBondContact CB-O 3.14Å; P358-A360 WeakPolarHBondContact CG-O 3.48Å; P358-A360 PolarHBondContact O-N 2.78Å; P358-A360 VanDerWaalsContact O-N 3.16Å; A360-A362 PolarHBondContact O-N 3.44Å
361K92.2Very high92.4Very high193 Ų19344.6 Ų44.684%0.83926%0.264SS*.  trans-55.6124.1178-176.5179.2177.9-178.30110.5D363K361-D363 PolarHBondContact O-N 3.44Å
362A94.9Very high92.5Very high23 Ų2345 Ų4519%0.1926%0.263CS..  trans-61127.6176.500000110.9R331 P358 A360 V365R331-A362 HydrophobicContact CB-CB 3.76Å; P358-A362 HydrophobicContact CG-CB 4.16Å; A360-A362 PolarHBondContact O-N 3.44Å; A362-V365 HydrophobicContact CB-CG2 4.12Å
363D96.6Very high92.6Very high44 Ų4442.8 Ų42.824%0.23525%0.248CC..SBendtrans-78.2-27.9170.6-58.4-63.8000110.3V329 K347 K361 G396 D397 L400V329-D363 PolarHBondContact N-OD2 3.28Å; V329-D363 PolarHBondContact O-N 3.19Å; K347-D363 IonicContact NZ-OD1 3.86Å; K347-D363 PolarHBondContact NZ-OD1 3Å; K347-D363 IonicContact NZ-OD2 2.76Å; K347-D363 PolarHBondContact NZ-OD2 3.48Å; K347-D363 VanDerWaalsContact NZ-OD2 3.09Å; K361-D363 PolarHBondContact O-N 3.44Å; D363-G396 CarbonylContact O-C 3.57Å; D363-G396 WeakPolarHBondContact O-CA 3.29Å; D363-D397 PolarHBondContact O-N 3.03Å; D363-L400 HydrophobicContact CB-CD1 3.53Å
364V96.5Very high92.4Very high0 Ų044.6 Ų44.60%026%0.258CS..EExtended strand (participates in β ladder)trans-137.4132178-171.90000110.6V329 Y330 R331 M366 I394 K395 D397 L400 A401V329-V364 PolarHBondContact O-N 2.96Å; V329-V364 VanDerWaalsContact O-N 3.15Å; Y330-V364 CarbonylContact C-O 3.56Å; Y330-V364 WeakPolarHBondContact CA-O 3.25Å; Y330-V364 HydrophobicContact CD1-CB 3.75Å; Y330-V364 HydrophobicContact CD1-CG1 4.27Å; Y330-V364 HydrophobicContact CD1-CG2 4.04Å; Y330-V364 HydrophobicContact CE1-CB 4.16Å; Y330-V364 HydrophobicContact CE1-CG2 3.93Å; R331-V364 PolarHBondContact N-O 3.14Å; V364-M366 HydrophobicContact CG1-CE 3.85Å; V364-M366 HydrophobicContact CG1-CG 4.06Å; V364-I394 HydrophobicContact CG1-CG2 3.59Å; V364-K395 CarbonylContact C-O 3.57Å; V364-D397 HydrophobicContact CG2-CB 4.36Å; V364-D397 VanDerWaalsContact CG2-O 3.23Å; V364-D397 WeakPolarHBondContact CG2-O 3.44Å; V364-L400 HydrophobicContact CG2-CB 3.68Å; V364-A401 HydrophobicContact CG1-CB 4.14Å
365V96.5Very high92.2Very high32 Ų3248.8 Ų48.819%0.19427%0.273CS..EExtended strand (participates in β ladder)trans-113.5124.6171.1-173.80000108.8R331 D333 A362 I394 K395R331-V365 HydrophobicContact CB-CG1 4.47Å; R331-V365 HydrophobicContact CB-CG2 4.29Å; R331-V365 HydrophobicContact CG-CG1 4.31Å; R331-V365 CarbonylContact O-C 3.52Å; R331-V365 WeakPolarHBondContact O-CA 3.22Å; D333-V365 VanDerWaalsContact OD2-CG1 3.25Å; D333-V365 WeakPolarHBondContact OD2-CG1 3.25Å; A362-V365 HydrophobicContact CB-CG2 4.12Å; V365-I394 CarbonylContact O-C 3.47Å; V365-I394 WeakPolarHBondContact O-CA 3.34Å; V365-K395 HydrophobicContact CB-CB 4.46Å; V365-K395 PolarHBondContact N-O 3.46Å; V365-K395 PolarHBondContact O-N 3.14Å
366M96.3Very high92.1Very high6 Ų643.8 Ų43.83%0.0325%0.25CC..EExtended strand (participates in β ladder)trans-115.2118.3179.9-64.9-165.5179.200109.9Y330 R331 F332 D333 V364 M368 L392 R393 I394 A401 L404Y330-M366 HydrophobicContact CD1-CE 4.3Å; R331-M366 PolarHBondContact O-N 3.38Å; F332-M366 CarbonylContact C-O 3.45Å; F332-M366 VanDerWaalsContact CA-O 3.28Å; F332-M366 WeakPolarHBondContact CA-O 3.43Å; F332-M366 HydrophobicContact CD1-CB 3.87Å; F332-M366 HydrophobicContact CD1-CG 4.49Å; F332-M366 HydrophobicContact CD1-SD 4.34Å; F332-M366 HydrophobicContact CE1-CB 4.26Å; F332-M366 HydrophobicContact CE1-CG 4.41Å; F332-M366 HydrophobicContact CE1-SD 3.78Å; D333-M366 PolarHBondContact N-O 3.35Å; V364-M366 HydrophobicContact CG1-CE 3.85Å; V364-M366 HydrophobicContact CG1-CG 4.06Å; M366-M368 HydrophobicContact CB-CE 4.08Å; M366-L392 HydrophobicContact CB-CD1 3.85Å; M366-L392 HydrophobicContact CG-CD1 4.26Å; M366-L392 HydrophobicContact SD-CD1 4.46Å; M366-R393 CarbonylContact C-O 3.58Å; M366-R393 WeakPolarHBondContact CA-O 3.31Å; M366-I394 HydrophobicContact CE-CD1 4.49Å; M366-I394 HydrophobicContact CG-CG1 4.32Å; M366-A401 HydrophobicContact CE-CB 3.84Å; M366-L404 HydrophobicContact CE-CD2 3.58Å; M366-L404 HydrophobicContact SD-CD2 3.84Å
367T96.6Very high91.9Very high59 Ų5942.9 Ų42.936%0.36224%0.238SC..EExtended strand (participates in β ladder)trans-109.6124.9179.3-48.20000109.9D333 R393D333-T367 HydrophobicContact CB-CG2 4.16Å; D333-T367 VanDerWaalsContact O-CA 3.32Å; D333-T367 WeakPolarHBondContact O-CA 3.4Å; T367-R393 PolarHBondContact N-O 3.05Å; T367-R393 PolarHBondContact O-N 3.1Å
368M96.7Very high91.5Very high7 Ų739.6 Ų39.63%0.03423%0.23CC..EExtended strand (participates in β ladder)trans-160.5169.8179.368.2-173.688.600112.7F332 D333 L334 S335 M366 F373 M376 K391 L392F332-M368 HydrophobicContact CD1-CE 4.49Å; D333-M368 PolarHBondContact O-N 3.04Å; L334-M368 WeakPolarHBondContact CA-O 3.42Å; L334-M368 HydrophobicContact CD2-CG 3.72Å; S335-M368 PolarHBondContact N-O 2.89Å; M366-M368 HydrophobicContact CB-CE 4.08Å; M368-F373 HydrophobicContact CE-CD2 4.39Å; M368-F373 HydrophobicContact CG-CB 3.99Å; M368-F373 WeakPolarHBondContact SD-CA 3.48Å; M368-F373 HydrophobicContact SD-CB 3.67Å; M368-F373 HydrophobicContact SD-CD2 4.09Å; M368-F373 HydrophobicContact SD-CG 4.39Å; M368-M376 HydrophobicContact CE-CE 3.44Å; M368-M376 VanDerWaalsContact CE-CE 3.44Å; M368-M376 HydrophobicContact CE-SD 4.16Å; M368-M376 HydrophobicContact SD-CE 3.87Å; M368-M376 HydrophobicContact SD-SD 4.34Å; M368-K391 WeakPolarHBondContact CB-O 3.37Å; M368-L392 HydrophobicContact CB-CD1 4.49Å; M368-L392 HydrophobicContact CE-CD1 3.28Å; M368-L392 HydrophobicContact CE-CD2 4.29Å; M368-L392 HydrophobicContact CE-CG 4.24Å; M368-L392 HydrophobicContact SD-CD1 4.49Å
369D95.8Very high91.1Very high62 Ų6240.7 Ų40.733%0.33225%0.245SC..EExtended strand (participates in β ladder)trans-70.3141.8168.5-173.9-97.3000111.6G336 G371 D372 F373G336-D369 WeakPolarHBondContact CA-OD2 3.39Å; D369-G371 PolarHBondContact O-N 3.34Å; D369-G371 WeakPolarHBondContact OD1-CA 3.39Å; D369-G371 PolarHBondContact OD1-N 3.07Å; D369-D372 HydrophobicContact CB-CB 4.47Å; D369-D372 PolarHBondContact O-N 3.4Å; D369-F373 PolarHBondContact O-N 3.14Å
370S91.1Very high91.2Very high4 Ų443.8 Ų43.83%0.02825%0.252CS..Hα-helixtrans-57.6-33.3179.155.50000113.5I307 S335 H338 T374I307-S370 WeakPolarHBondContact CD1-O 3.42Å; S335-S370 WeakPolarHBondContact O-CB 3.32Å; S335-S370 PolarHBondContact O-N 3.36Å; S335-S370 PolarHBondContact O-OG 3.35Å; S335-S370 VanDerWaalsContact O-OG 3.04Å; H338-S370 PolarHBondContact N-OG 3.15Å; S370-T374 PolarHBondContact O-N 3.04Å; S370-T374 VanDerWaalsContact O-N 3.09Å; S370-T374 PolarHBondContact O-OG1 3.47Å
371G88.6Confident91Very high28 Ų2843.2 Ų43.229%0.28924%0.243SC..Hα-helixtrans-69.1-39174.200000112.8D369 T374 K375D369-G371 PolarHBondContact O-N 3.34Å; D369-G371 WeakPolarHBondContact OD1-CA 3.39Å; D369-G371 PolarHBondContact OD1-N 3.07Å; G371-T374 PolarHBondContact O-N 3.29Å; G371-K375 WeakPolarHBondContact O-CG 3.47Å; G371-K375 PolarHBondContact O-N 3.35Å; G371-K375 VanDerWaalsContact O-N 3.14Å
372D91.5Very high90.7Very high21 Ų2140.7 Ų40.711%0.11223%0.232CC..Hα-helixtrans-71.7-36.6175.6-75.7-31.9000111.4D369 T374 K375 M376 L381 K391D369-D372 HydrophobicContact CB-CB 4.47Å; D369-D372 PolarHBondContact O-N 3.4Å; D372-T374 VanDerWaalsContact C-N 3.35Å; D372-T374 PolarHBondContact O-N 3.48Å; D372-K375 PolarHBondContact O-N 2.85Å; D372-M376 VanDerWaalsContact O-CB 3.29Å; D372-M376 WeakPolarHBondContact O-CB 3.5Å; D372-M376 PolarHBondContact O-N 2.75Å; D372-L381 HydrophobicContact CB-CD2 3.97Å; D372-K391 IonicContact OD1-NZ 3.66Å; D372-K391 WeakPolarHBondContact OD2-CD 3.39Å
373F93Very high90.3Very high0 Ų040.7 Ų40.70%023%0.23CC..Hα-helixtrans-55.9-49.3170.7176.7-90.4000111.5I307 T310 F311 F332 L334 M368 D369 K375 M376 F377I307-F373 HydrophobicContact CD1-CB 4.42Å; I307-F373 HydrophobicContact CD1-CD1 3.49Å; I307-F373 VanDerWaalsContact CD1-CD1 3.49Å; I307-F373 HydrophobicContact CD1-CE1 4.12Å; I307-F373 HydrophobicContact CD1-CG 4.28Å; I307-F373 HydrophobicContact CG2-CD1 4.46Å; I307-F373 HydrophobicContact CG2-CE1 4.11Å; T310-F373 HydrophobicContact CG2-CD1 4.43Å; T310-F373 HydrophobicContact CG2-CE1 3.52Å; T310-F373 HydrophobicContact CG2-CZ 4Å; F311-F373 HydrophobicContact CD2-CE1 4.31Å; F311-F373 HydrophobicContact CD2-CZ 4.05Å; F311-F373 AromaticContact CE2-CE1 3.84Å; F311-F373 HydrophobicContact CE2-CE1 3.84Å; F311-F373 HydrophobicContact CE2-CE2 4.06Å; F311-F373 AromaticContact CE2-CZ 3.26Å; F311-F373 HydrophobicContact CE2-CZ 3.26Å; F311-F373 HydrophobicContact CZ-CE2 4.2Å; F311-F373 AromaticContact CZ-CZ 3.72Å; F311-F373 HydrophobicContact CZ-CZ 3.72Å; F332-F373 HydrophobicContact CB-CE2 4.44Å; F332-F373 HydrophobicContact CD1-CD2 4.1Å; F332-F373 AromaticContact CD1-CE2 3.69Å; F332-F373 HydrophobicContact CD1-CE2 3.69Å; F332-F373 HydrophobicContact CD2-CE2 4.5Å; F332-F373 AromaticContact CE1-CE2 3.99Å; F332-F373 HydrophobicContact CE1-CE2 3.99Å; F332-F373 AromaticContact CG-CE2 3.96Å; F332-F373 HydrophobicContact CG-CE2 3.96Å; F332-F373 HydrophobicContact CZ-CE2 4.5Å; L334-F373 HydrophobicContact CD1-CB 4.45Å; L334-F373 HydrophobicContact CD1-CD1 4.27Å; L334-F373 HydrophobicContact CD1-CD2 4.33Å; L334-F373 HydrophobicContact CD1-CG 4.1Å; L334-F373 HydrophobicContact CD2-CB 3.85Å; L334-F373 HydrophobicContact CD2-CD2 3.8Å; L334-F373 HydrophobicContact CD2-CG 3.95Å; M368-F373 HydrophobicContact CE-CD2 4.39Å; M368-F373 HydrophobicContact CG-CB 3.99Å; M368-F373 WeakPolarHBondContact SD-CA 3.48Å; M368-F373 HydrophobicContact SD-CB 3.67Å; M368-F373 HydrophobicContact SD-CD2 4.09Å; M368-F373 HydrophobicContact SD-CG 4.39Å; D369-F373 PolarHBondContact O-N 3.14Å; F373-K375 PolarHBondContact O-N 3.06Å; F373-M376 WeakPolarHBondContact O-CB 3.4Å; F373-M376 PolarHBondContact O-N 2.92Å; F373-M376 VanDerWaalsContact O-N 3.13Å; F373-F377 HydrophobicContact CD1-CD2 4.32Å; F373-F377 AromaticContact CD2-CD2 3.9Å; F373-F377 HydrophobicContact CD2-CD2 3.9Å; F373-F377 AromaticContact CD2-CE2 3.74Å; F373-F377 HydrophobicContact CD2-CE2 3.74Å; F373-F377 HydrophobicContact CE1-CD2 4.07Å; F373-F377 HydrophobicContact CE1-CE2 4.43Å; F373-F377 AromaticContact CE2-CD2 3.6Å; F373-F377 HydrophobicContact CE2-CD2 3.6Å; F373-F377 AromaticContact CE2-CE2 3.2Å; F373-F377 HydrophobicContact CE2-CE2 3.2Å; F373-F377 HydrophobicContact CE2-CZ 4Å; F373-F377 HydrophobicContact CG-CD2 4.25Å; F373-F377 AromaticContact CZ-CD2 3.68Å; F373-F377 HydrophobicContact CZ-CD2 3.68Å; F373-F377 AromaticContact CZ-CE2 3.6Å; F373-F377 HydrophobicContact CZ-CE2 3.6Å; F373-F377 HydrophobicContact CZ-CG 4.35Å; F373-F377 HydrophobicContact CZ-CZ 4.21Å; F373-F377 WeakPolarHBondContact O-CD2 3.29Å; F373-F377 PolarHBondContact O-N 3.27Å
374T88Confident89.6Confident47 Ų4741.8 Ų41.829%0.28824%0.238SC..Hα-helixtrans-60.7-46180-55.20000111.2S370 G371 D372 M376 F377 A378S370-T374 PolarHBondContact O-N 3.04Å; S370-T374 VanDerWaalsContact O-N 3.09Å; S370-T374 PolarHBondContact O-OG1 3.47Å; G371-T374 PolarHBondContact O-N 3.29Å; D372-T374 VanDerWaalsContact C-N 3.35Å; D372-T374 PolarHBondContact O-N 3.48Å; T374-M376 VanDerWaalsContact C-N 3.29Å; T374-M376 PolarHBondContact O-N 2.85Å; T374-F377 PolarHBondContact O-N 2.83Å; T374-A378 VanDerWaalsContact O-CB 3.27Å; T374-A378 WeakPolarHBondContact O-CB 3.33Å; T374-A378 PolarHBondContact O-N 3.02Å
375K86.8Confident88.8Confident98 Ų9846.6 Ų46.643%0.42626%0.262SS..Hα-helixtrans-62.7-36.5176.1-70.1169-173167.20112.1G371 D372 F373 A378 G379 Q380 L381G371-K375 WeakPolarHBondContact O-CG 3.47Å; G371-K375 PolarHBondContact O-N 3.35Å; G371-K375 VanDerWaalsContact O-N 3.14Å; D372-K375 PolarHBondContact O-N 2.85Å; F373-K375 PolarHBondContact O-N 3.06Å; K375-A378 PolarHBondContact O-N 3.07Å; K375-G379 PolarHBondContact O-N 3.33Å; K375-Q380 HydrophobicContact CB-CB 4.22Å; K375-Q380 PolarHBondContact O-N 3.27Å; K375-L381 HydrophobicContact CB-CB 3.87Å; K375-L381 PolarHBondContact O-N 3.4Å; K375-L381 VanDerWaalsContact O-N 3.1Å
376M88.8Confident88.4Confident3 Ų345.1 Ų45.12%0.01525%0.253CS..Hα-helixtrans-66-47.5-179.5-161.6-179.261.800111.3M368 D372 F373 T374 A378 G379 L381 P383 L392 M408M368-M376 HydrophobicContact CE-CE 3.44Å; M368-M376 VanDerWaalsContact CE-CE 3.44Å; M368-M376 HydrophobicContact CE-SD 4.16Å; M368-M376 HydrophobicContact SD-CE 3.87Å; M368-M376 HydrophobicContact SD-SD 4.34Å; D372-M376 VanDerWaalsContact O-CB 3.29Å; D372-M376 WeakPolarHBondContact O-CB 3.5Å; D372-M376 PolarHBondContact O-N 2.75Å; F373-M376 WeakPolarHBondContact O-CB 3.4Å; F373-M376 PolarHBondContact O-N 2.92Å; F373-M376 VanDerWaalsContact O-N 3.13Å; T374-M376 VanDerWaalsContact C-N 3.29Å; T374-M376 PolarHBondContact O-N 2.85Å; M376-A378 VanDerWaalsContact C-N 3.31Å; M376-A378 PolarHBondContact O-N 3.07Å; M376-G379 PolarHBondContact O-N 2.77Å; M376-G379 VanDerWaalsContact O-N 3.1Å; M376-L381 WeakPolarHBondContact CA-O 3.44Å; M376-L381 WeakPolarHBondContact CG-O 3.48Å; M376-P383 HydrophobicContact CG-CB 4.45Å; M376-P383 HydrophobicContact CG-CG 3.78Å; M376-P383 HydrophobicContact SD-CB 3.89Å; M376-P383 HydrophobicContact SD-CG 3.78Å; M376-L392 HydrophobicContact SD-CD2 3.95Å; M376-M408 VanDerWaalsContact C-CE 3.45Å; M376-M408 HydrophobicContact CB-CE 4.19Å; M376-M408 HydrophobicContact CE-CE 3.96Å; M376-M408 HydrophobicContact CE-SD 4.29Å; M376-M408 HydrophobicContact CG-CE 3.66Å; M376-M408 VanDerWaalsContact O-CE 3.25Å; M376-M408 WeakPolarHBondContact O-CE 3.44Å; M376-M408 HydrophobicContact SD-CE 4.41Å
377F86.9Confident87.9Confident10 Ų1049.5 Ų49.54%0.04427%0.272CS..Hα-helixtrans-76.7-15.3177.5-80.7-94.1000114.3T310 I314 F332 F373 T374 G379 M408 N412 R415T310-F377 HydrophobicContact CG2-CB 3.5Å; T310-F377 VanDerWaalsContact CG2-CB 3.5Å; T310-F377 HydrophobicContact CG2-CD1 4.05Å; T310-F377 HydrophobicContact CG2-CD2 4.37Å; T310-F377 HydrophobicContact CG2-CG 3.72Å; I314-F377 HydrophobicContact CD1-CD1 3.9Å; I314-F377 HydrophobicContact CD1-CE1 3.53Å; I314-F377 HydrophobicContact CD1-CZ 4.13Å; I314-F377 HydrophobicContact CG1-CD1 4.22Å; I314-F377 HydrophobicContact CG1-CE1 4.04Å; F332-F377 HydrophobicContact CE1-CE2 4.19Å; F332-F377 HydrophobicContact CE1-CZ 4.17Å; F332-F377 HydrophobicContact CZ-CE2 4.49Å; F332-F377 HydrophobicContact CZ-CZ 4.04Å; F373-F377 HydrophobicContact CD1-CD2 4.32Å; F373-F377 AromaticContact CD2-CD2 3.9Å; F373-F377 HydrophobicContact CD2-CD2 3.9Å; F373-F377 AromaticContact CD2-CE2 3.74Å; F373-F377 HydrophobicContact CD2-CE2 3.74Å; F373-F377 HydrophobicContact CE1-CD2 4.07Å; F373-F377 HydrophobicContact CE1-CE2 4.43Å; F373-F377 AromaticContact CE2-CD2 3.6Å; F373-F377 HydrophobicContact CE2-CD2 3.6Å; F373-F377 AromaticContact CE2-CE2 3.2Å; F373-F377 HydrophobicContact CE2-CE2 3.2Å; F373-F377 HydrophobicContact CE2-CZ 4Å; F373-F377 HydrophobicContact CG-CD2 4.25Å; F373-F377 AromaticContact CZ-CD2 3.68Å; F373-F377 HydrophobicContact CZ-CD2 3.68Å; F373-F377 AromaticContact CZ-CE2 3.6Å; F373-F377 HydrophobicContact CZ-CE2 3.6Å; F373-F377 HydrophobicContact CZ-CG 4.35Å; F373-F377 HydrophobicContact CZ-CZ 4.21Å; F373-F377 WeakPolarHBondContact O-CD2 3.29Å; F373-F377 PolarHBondContact O-N 3.27Å; T374-F377 PolarHBondContact O-N 2.83Å; F377-G379 VanDerWaalsContact C-N 3.32Å; F377-M408 HydrophobicContact CB-CE 4.26Å; F377-M408 HydrophobicContact CD1-CE 3.79Å; F377-M408 HydrophobicContact CD1-CG 4.24Å; F377-M408 HydrophobicContact CD2-CE 3.58Å; F377-M408 HydrophobicContact CE1-CE 3.94Å; F377-M408 HydrophobicContact CE1-CG 3.88Å; F377-M408 HydrophobicContact CE1-SD 4.09Å; F377-M408 HydrophobicContact CE2-CE 3.73Å; F377-M408 HydrophobicContact CE2-SD 4.17Å; F377-M408 HydrophobicContact CG-CE 3.61Å; F377-M408 HydrophobicContact CZ-CE 3.91Å; F377-M408 HydrophobicContact CZ-CG 4.28Å; F377-M408 HydrophobicContact CZ-SD 3.91Å; F377-N412 PolarHBondContact O-OD1 3.27Å; F377-R415 PolarHBondContact O-NH1 2.78Å
378A81.8Confident87.2Confident46 Ų4654 Ų5438%0.3829%0.291SS..THydrogen-bonded Turntrans-83.9-3.7166.400000113.4T374 K375 M376 Q380T374-A378 VanDerWaalsContact O-CB 3.27Å; T374-A378 WeakPolarHBondContact O-CB 3.33Å; T374-A378 PolarHBondContact O-N 3.02Å; K375-A378 PolarHBondContact O-N 3.07Å; M376-A378 VanDerWaalsContact C-N 3.31Å; M376-A378 PolarHBondContact O-N 3.07Å; A378-Q380 HydrophobicContact CB-CG 4.15Å; A378-Q380 PolarHBondContact O-N 3.05Å
379G83.3Confident86.5Confident42 Ų4257.6 Ų57.643%0.43331%0.314SS..THydrogen-bonded Turntrans75.27.1-177.200000115.1K375 M376 F377 N412K375-G379 PolarHBondContact O-N 3.33Å; M376-G379 PolarHBondContact O-N 2.77Å; M376-G379 VanDerWaalsContact O-N 3.1Å; F377-G379 VanDerWaalsContact C-N 3.32Å; G379-N412 WeakPolarHBondContact CA-ND2 3.49Å; G379-N412 PolarHBondContact N-ND2 3.12Å
380Q84.9Confident86.1Confident154 Ų15457 Ų5772%0.7232%0.322SS*.SBendtrans-82.8-19.2178.9-62.5175.5-12.700112.5K375 A378K375-Q380 HydrophobicContact CB-CB 4.22Å; K375-Q380 PolarHBondContact O-N 3.27Å; A378-Q380 HydrophobicContact CB-CG 4.15Å; A378-Q380 PolarHBondContact O-N 3.05Å
381L84.6Confident85.9Confident29 Ų2961.6 Ų61.615%0.15234%0.341CS..SBendtrans-129.2121.5174.7179.161.6000109.6D372 K375 M376 A386D372-L381 HydrophobicContact CB-CD2 3.97Å; K375-L381 HydrophobicContact CB-CB 3.87Å; K375-L381 PolarHBondContact O-N 3.4Å; K375-L381 VanDerWaalsContact O-N 3.1Å; M376-L381 WeakPolarHBondContact CA-O 3.44Å; M376-L381 WeakPolarHBondContact CG-O 3.48Å; L381-A386 HydrophobicContact CD1-CB 4.38Å; L381-A386 HydrophobicContact CD2-CB 3.83Å; L381-A386 HydrophobicContact CG-CB 4.02Å
382K85.9Confident86.1Confident140 Ų14060.4 Ų60.461%0.60933%0.328SS*.  trans-74.6134.4176.2-67.5-173.1178.2-179.70110.5T384 M385 A386K382-T384 VanDerWaalsContact C-N 3.27Å; K382-T384 PolarHBondContact O-N 3.44Å; K382-M385 HydrophobicContact CB-CB 4.33Å; K382-M385 HydrophobicContact CB-CG 4.28Å; K382-M385 WeakPolarHBondContact O-CB 3.48Å; K382-M385 PolarHBondContact O-N 2.94Å; K382-A386 PolarHBondContact O-N 3.35Å
383P85.5Confident86.3Confident22 Ų2268.1 Ų68.114%0.14336%0.356CS..Hα-helixtrans-54.3-40.4178.6-2834.3000113.9M376 M385 A386 F387 L392 E405 M408M376-P383 HydrophobicContact CG-CB 4.45Å; M376-P383 HydrophobicContact CG-CG 3.78Å; M376-P383 HydrophobicContact SD-CB 3.89Å; M376-P383 HydrophobicContact SD-CG 3.78Å; P383-M385 PolarHBondContact O-N 3.41Å; P383-A386 PolarHBondContact O-N 2.93Å; P383-F387 WeakPolarHBondContact O-CB 3.27Å; P383-F387 PolarHBondContact O-N 3.29Å; P383-L392 HydrophobicContact CB-CD2 4.42Å; P383-E405 HydrophobicContact CB-CB 4.41Å; P383-E405 HydrophobicContact CB-CG 4.34Å; P383-E405 HydrophobicContact CG-CB 4.05Å; P383-E405 HydrophobicContact CG-CG 3.82Å; P383-M408 HydrophobicContact CG-SD 4.21Å
384T81.6Confident86.3Confident68 Ų6869.8 Ų69.842%0.41736%0.364SS..Hα-helixtrans-57.4-44.7174.341.20000112.9K382 F387 M388K382-T384 VanDerWaalsContact C-N 3.27Å; K382-T384 PolarHBondContact O-N 3.44Å; T384-F387 PolarHBondContact O-N 3.01Å; T384-M388 WeakPolarHBondContact O-CG 3.34Å; T384-M388 PolarHBondContact O-N 3.13Å
385M81.3Confident86.6Confident100 Ų10075.4 Ų75.449%0.49339%0.385SS..Hα-helixtrans-69.3-39.7176.7-73.8-64.4-62.300112.3K382 P383 F387 M388 T389K382-M385 HydrophobicContact CB-CB 4.33Å; K382-M385 HydrophobicContact CB-CG 4.28Å; K382-M385 WeakPolarHBondContact O-CB 3.48Å; K382-M385 PolarHBondContact O-N 2.94Å; P383-M385 PolarHBondContact O-N 3.41Å; M385-F387 VanDerWaalsContact C-N 3.29Å; M385-F387 PolarHBondContact O-N 3.44Å; M385-M388 PolarHBondContact O-N 3.47Å; M385-T389 WeakPolarHBondContact O-CB 3.36Å; M385-T389 WeakPolarHBondContact O-CG2 3.45Å; M385-T389 PolarHBondContact O-N 3.22Å; M385-T389 PolarHBondContact O-OG1 2.95Å
386A87.1Confident86.9Confident2 Ų273.1 Ų73.12%0.01739%0.39CS..Hα-helixtrans-61.5-40.5176.200000111.2L381 K382 P383 T389 G390 K391 L392L381-A386 HydrophobicContact CD1-CB 4.38Å; L381-A386 HydrophobicContact CD2-CB 3.83Å; L381-A386 HydrophobicContact CG-CB 4.02Å; K382-A386 PolarHBondContact O-N 3.35Å; P383-A386 PolarHBondContact O-N 2.93Å; A386-T389 PolarHBondContact O-OG1 3.45Å; A386-G390 PolarHBondContact O-N 3.27Å; A386-K391 HydrophobicContact CB-CB 4.41Å; A386-K391 WeakPolarHBondContact O-CA 3.25Å; A386-K391 PolarHBondContact O-N 3.39Å; A386-L392 HydrophobicContact CB-CB 3.66Å; A386-L392 HydrophobicContact CB-CD2 4.32Å; A386-L392 PolarHBondContact O-N 2.86Å
387F85.9Confident87.1Confident97 Ų9776.4 Ų76.443%0.42541%0.407SS..Hα-helixtrans-67.3-49.4177.3-176.8-101.3000112.2P383 T384 M385 T389 G390 L392 I394P383-F387 WeakPolarHBondContact O-CB 3.27Å; P383-F387 PolarHBondContact O-N 3.29Å; T384-F387 PolarHBondContact O-N 3.01Å; M385-F387 VanDerWaalsContact C-N 3.29Å; M385-F387 PolarHBondContact O-N 3.44Å; F387-T389 VanDerWaalsContact C-N 3.27Å; F387-T389 PolarHBondContact O-N 3.44Å; F387-G390 PolarHBondContact O-N 3.1Å; F387-G390 VanDerWaalsContact O-N 3.1Å; F387-L392 WeakPolarHBondContact CA-O 3.4Å; F387-L392 WeakPolarHBondContact CD2-O 3.28Å; F387-I394 HydrophobicContact CD2-CB 4.37Å; F387-I394 HydrophobicContact CD2-CD1 3.9Å; F387-I394 HydrophobicContact CD2-CG1 3.94Å; F387-I394 HydrophobicContact CE2-CB 4.2Å; F387-I394 HydrophobicContact CE2-CD1 4.43Å; F387-I394 HydrophobicContact CE2-CG1 4.28Å; F387-I394 HydrophobicContact CG-CD1 4.48Å
388M82.1Confident87.1Confident155 Ų15580 Ų8076%0.76443%0.425SS*.Hα-helixtrans-62.2-32179.8-72.2-178.569.500113.6T384 M385 G390T384-M388 WeakPolarHBondContact O-CG 3.34Å; T384-M388 PolarHBondContact O-N 3.13Å; M385-M388 PolarHBondContact O-N 3.47Å; M388-G390 VanDerWaalsContact C-N 3.31Å
389T82.4Confident87.4Confident82 Ų8282.3 Ų82.350%0.50344%0.435SS..THydrogen-bonded Turntrans-87.83.1179.356.60000113.5M385 A386 F387 K391M385-T389 WeakPolarHBondContact O-CB 3.36Å; M385-T389 WeakPolarHBondContact O-CG2 3.45Å; M385-T389 PolarHBondContact O-N 3.22Å; M385-T389 PolarHBondContact O-OG1 2.95Å; A386-T389 PolarHBondContact O-OG1 3.45Å; F387-T389 VanDerWaalsContact C-N 3.27Å; F387-T389 PolarHBondContact O-N 3.44Å; T389-K391 PolarHBondContact O-N 2.87Å
390G87.3Confident87.8Confident49 Ų4981 Ų8151%0.50542%0.418SS..THydrogen-bonded Turntrans76.2517900000115.2A386 F387 M388A386-G390 PolarHBondContact O-N 3.27Å; F387-G390 PolarHBondContact O-N 3.1Å; F387-G390 VanDerWaalsContact O-N 3.1Å; M388-G390 VanDerWaalsContact C-N 3.31Å
391K86.9Confident87.9Confident100 Ų10074.1 Ų74.144%0.43539%0.387SS..SBendtrans-77.1-23.9178.3-67.3-178.5165.1-154.10113.5M368 D372 A386 T389M368-K391 WeakPolarHBondContact CB-O 3.37Å; D372-K391 IonicContact OD1-NZ 3.66Å; D372-K391 WeakPolarHBondContact OD2-CD 3.39Å; A386-K391 HydrophobicContact CB-CB 4.41Å; A386-K391 WeakPolarHBondContact O-CA 3.25Å; A386-K391 PolarHBondContact O-N 3.39Å; T389-K391 PolarHBondContact O-N 2.87Å
392L93.3Very high88Confident3 Ų377 Ų772%0.01640%0.402CS..EExtended strand (participates in β ladder)trans-122.1125.5173.5166.754.8000108.8M366 M368 M376 P383 A386 F387 I394M366-L392 HydrophobicContact CB-CD1 3.85Å; M366-L392 HydrophobicContact CG-CD1 4.26Å; M366-L392 HydrophobicContact SD-CD1 4.46Å; M368-L392 HydrophobicContact CB-CD1 4.49Å; M368-L392 HydrophobicContact CE-CD1 3.28Å; M368-L392 HydrophobicContact CE-CD2 4.29Å; M368-L392 HydrophobicContact CE-CG 4.24Å; M368-L392 HydrophobicContact SD-CD1 4.49Å; M376-L392 HydrophobicContact SD-CD2 3.95Å; P383-L392 HydrophobicContact CB-CD2 4.42Å; A386-L392 HydrophobicContact CB-CB 3.66Å; A386-L392 HydrophobicContact CB-CD2 4.32Å; A386-L392 PolarHBondContact O-N 2.86Å; F387-L392 WeakPolarHBondContact CA-O 3.4Å; F387-L392 WeakPolarHBondContact CD2-O 3.28Å; L392-I394 HydrophobicContact CD1-CG1 3.88Å; L392-I394 HydrophobicContact CD2-CD1 3.98Å; L392-I394 HydrophobicContact CD2-CG1 4.18Å; L392-I394 HydrophobicContact CG-CD1 4.13Å; L392-I394 HydrophobicContact CG-CG1 3.81Å
393R93.9Very high88.1Confident183 Ų18374 Ų7469%0.69139%0.388SS*.EExtended strand (participates in β ladder)trans-109132169.6-62.3-177.5-179.1-163.4-0109.2M366 T367M366-R393 CarbonylContact C-O 3.58Å; M366-R393 WeakPolarHBondContact CA-O 3.31Å; T367-R393 PolarHBondContact N-O 3.05Å; T367-R393 PolarHBondContact O-N 3.1Å
394I94Very high88.1Confident35 Ų3573.1 Ų73.118%0.17938%0.382CS..EExtended strand (participates in β ladder)trans-119.1132.2-178.7-54.3171000108.8V364 V365 M366 F387 L392 M398 A401V364-I394 HydrophobicContact CG1-CG2 3.59Å; V365-I394 CarbonylContact O-C 3.47Å; V365-I394 WeakPolarHBondContact O-CA 3.34Å; M366-I394 HydrophobicContact CE-CD1 4.49Å; M366-I394 HydrophobicContact CG-CG1 4.32Å; F387-I394 HydrophobicContact CD2-CB 4.37Å; F387-I394 HydrophobicContact CD2-CD1 3.9Å; F387-I394 HydrophobicContact CD2-CG1 3.94Å; F387-I394 HydrophobicContact CE2-CB 4.2Å; F387-I394 HydrophobicContact CE2-CD1 4.43Å; F387-I394 HydrophobicContact CE2-CG1 4.28Å; F387-I394 HydrophobicContact CG-CD1 4.48Å; L392-I394 HydrophobicContact CD1-CG1 3.88Å; L392-I394 HydrophobicContact CD2-CD1 3.98Å; L392-I394 HydrophobicContact CD2-CG1 4.18Å; L392-I394 HydrophobicContact CG-CD1 4.13Å; L392-I394 HydrophobicContact CG-CG1 3.81Å; I394-M398 HydrophobicContact CB-CE 4.07Å; I394-M398 HydrophobicContact CB-SD 4.47Å; I394-M398 HydrophobicContact CD1-CE 3.82Å; I394-M398 HydrophobicContact CG2-CE 3.64Å; I394-M398 HydrophobicContact CG2-SD 4.29Å; I394-A401 HydrophobicContact CD1-CB 4.25Å; I394-A401 HydrophobicContact CG2-CB 4.09Å
395K94.2Very high88.2Confident165 Ų16572.4 Ų72.472%0.71738%0.375SS*.EExtended strand (participates in β ladder)trans-127.3133172.6-176-179.3179.6-178.20108.9V364 V365V364-K395 CarbonylContact C-O 3.57Å; V365-K395 HydrophobicContact CB-CB 4.46Å; V365-K395 PolarHBondContact N-O 3.46Å; V365-K395 PolarHBondContact O-N 3.14Å
396G93.2Very high88.1Confident51 Ų5174.6 Ų74.653%0.52638%0.381SS..EExtended strand (participates in β ladder)trans115.3-151.4-178.900000112.6D363 M398D363-G396 CarbonylContact O-C 3.57Å; D363-G396 WeakPolarHBondContact O-CA 3.29Å; G396-M398 PolarHBondContact O-N 3.29Å
397D92.1Very high87.7Confident72 Ų7275.2 Ų75.239%0.38538%0.384SS..  trans-73.3112.5-173.5-171.5-37.3000112.3D363 V364 T399 L400 A401D363-D397 PolarHBondContact O-N 3.03Å; V364-D397 HydrophobicContact CG2-CB 4.36Å; V364-D397 VanDerWaalsContact CG2-O 3.23Å; V364-D397 WeakPolarHBondContact CG2-O 3.44Å; D397-T399 VanDerWaalsContact C-N 3.33Å; D397-T399 PolarHBondContact O-N 3.04Å; D397-T399 WeakPolarHBondContact OD1-CA 3.38Å; D397-T399 WeakPolarHBondContact OD1-CB 3.2Å; D397-T399 PolarHBondContact OD1-N 2.9Å; D397-L400 HydrophobicContact CB-CB 4.15Å; D397-L400 HydrophobicContact CB-CD1 3.94Å; D397-L400 HydrophobicContact CB-CG 4.11Å; D397-L400 PolarHBondContact O-N 3.26Å; D397-L400 PolarHBondContact OD1-N 2.63Å; D397-L400 VanDerWaalsContact OD1-N 3.14Å; D397-A401 PolarHBondContact O-N 2.97Å; D397-A401 VanDerWaalsContact O-N 3.14Å
398M87.4Confident87.5Confident85 Ų8571 Ų7142%0.41937%0.366SS..Hα-helixtrans-73-24.7-177.4-69.7-86.237.600114.1I394 G396 A401 I402I394-M398 HydrophobicContact CB-CE 4.07Å; I394-M398 HydrophobicContact CB-SD 4.47Å; I394-M398 HydrophobicContact CD1-CE 3.82Å; I394-M398 HydrophobicContact CG2-CE 3.64Å; I394-M398 HydrophobicContact CG2-SD 4.29Å; G396-M398 PolarHBondContact O-N 3.29Å; M398-A401 HydrophobicContact CE-CB 3.35Å; M398-A401 PolarHBondContact O-N 2.69Å; M398-I402 WeakPolarHBondContact O-CG1 3.26Å; M398-I402 PolarHBondContact O-N 2.78Å
399T88.6Confident87Confident95 Ų9565.1 Ų65.158%0.58335%0.345SS*.Hα-helixtrans-67.3-43.3174.1-51.30000109.9D397 I402 K403D397-T399 VanDerWaalsContact C-N 3.33Å; D397-T399 PolarHBondContact O-N 3.04Å; D397-T399 WeakPolarHBondContact OD1-CA 3.38Å; D397-T399 WeakPolarHBondContact OD1-CB 3.2Å; D397-T399 PolarHBondContact OD1-N 2.9Å; T399-I402 PolarHBondContact O-N 2.76Å; T399-K403 PolarHBondContact O-N 2.86Å; T399-K403 VanDerWaalsContact O-N 3.07Å
400L91.5Very high86.4Confident15 Ų1569.3 Ų69.38%0.07935%0.352CS..Hα-helixtrans-66.5-37.2176.6-69.4178.2000111.9T326 Y330 D363 V364 D397 I402 K403 L404T326-L400 WeakPolarHBondContact O-CD2 3.47Å; Y330-L400 HydrophobicContact CE1-CB 4.26Å; Y330-L400 VanDerWaalsContact CE1-O 3.32Å; Y330-L400 WeakPolarHBondContact CE1-O 3.43Å; Y330-L400 PolarHBondContact OH-O 2.67Å; D363-L400 HydrophobicContact CB-CD1 3.53Å; V364-L400 HydrophobicContact CG2-CB 3.68Å; D397-L400 HydrophobicContact CB-CB 4.15Å; D397-L400 HydrophobicContact CB-CD1 3.94Å; D397-L400 HydrophobicContact CB-CG 4.11Å; D397-L400 PolarHBondContact O-N 3.26Å; D397-L400 PolarHBondContact OD1-N 2.63Å; D397-L400 VanDerWaalsContact OD1-N 3.14Å; L400-I402 VanDerWaalsContact C-N 3.32Å; L400-I402 PolarHBondContact O-N 2.9Å; L400-K403 HydrophobicContact CD2-CD 4.17Å; L400-K403 WeakPolarHBondContact O-CB 3.34Å; L400-K403 PolarHBondContact O-N 2.84Å; L400-L404 PolarHBondContact O-N 2.87Å
401A87.6Confident85.4Confident8 Ų867.7 Ų67.77%0.06633%0.331CS..Hα-helixtrans-59.8-40.2174.100000112.8V364 M366 I394 D397 M398 L404 E405V364-A401 HydrophobicContact CG1-CB 4.14Å; M366-A401 HydrophobicContact CE-CB 3.84Å; I394-A401 HydrophobicContact CD1-CB 4.25Å; I394-A401 HydrophobicContact CG2-CB 4.09Å; D397-A401 PolarHBondContact O-N 2.97Å; D397-A401 VanDerWaalsContact O-N 3.14Å; M398-A401 HydrophobicContact CE-CB 3.35Å; M398-A401 PolarHBondContact O-N 2.69Å; A401-L404 WeakPolarHBondContact O-CB 3.48Å; A401-L404 PolarHBondContact O-N 2.91Å; A401-E405 PolarHBondContact O-N 2.89Å
402I86.1Confident84.3Confident91 Ų9164.7 Ų64.747%0.46732%0.32SS..Hα-helixtrans-69.3-36.1176.1-65.7165.5000111.4M398 T399 L400 L404 E405 K406M398-I402 WeakPolarHBondContact O-CG1 3.26Å; M398-I402 PolarHBondContact O-N 2.78Å; T399-I402 PolarHBondContact O-N 2.76Å; L400-I402 VanDerWaalsContact C-N 3.32Å; L400-I402 PolarHBondContact O-N 2.9Å; I402-L404 VanDerWaalsContact C-N 3.27Å; I402-L404 PolarHBondContact O-N 2.88Å; I402-E405 PolarHBondContact O-N 2.81Å; I402-K406 PolarHBondContact O-N 2.95Å
403K87.3Confident82.6Confident76 Ų7672.2 Ų72.233%0.3335%0.352SS..Hα-helixtrans-61.8-37.8174.1-72.1-168.4-172.7-177.80111.8A325 T326 T399 L400 E405 K406 L407A325-K403 PolarHBondContact O-NZ 2.82Å; T326-K403 HydrophobicContact CG2-CB 4.26Å; T326-K403 WeakPolarHBondContact O-CD 3.38Å; T326-K403 PolarHBondContact O-NZ 2.99Å; T326-K403 VanDerWaalsContact O-NZ 3.09Å; T399-K403 PolarHBondContact O-N 2.86Å; T399-K403 VanDerWaalsContact O-N 3.07Å; L400-K403 HydrophobicContact CD2-CD 4.17Å; L400-K403 WeakPolarHBondContact O-CB 3.34Å; L400-K403 PolarHBondContact O-N 2.84Å; K403-E405 PolarHBondContact O-N 2.96Å; K403-K406 WeakPolarHBondContact O-CB 3.42Å; K403-K406 PolarHBondContact O-N 3.1Å; K403-L407 PolarHBondContact O-N 3.05Å
404L85.8Confident80.3Confident3 Ų367.4 Ų67.42%0.01635%0.352CS..Hα-helixtrans-61.2-43.3175.5-175.167.1000111.4Y330 F332 L344 M366 L400 A401 I402 K406 L407 M408Y330-L404 HydrophobicContact CD1-CB 4.3Å; Y330-L404 HydrophobicContact CD1-CD2 3.84Å; Y330-L404 HydrophobicContact CD1-CG 4.48Å; Y330-L404 HydrophobicContact CD2-CD1 4.44Å; Y330-L404 HydrophobicContact CE1-CB 3.69Å; Y330-L404 HydrophobicContact CE1-CD2 4.1Å; Y330-L404 HydrophobicContact CE1-CG 4.32Å; Y330-L404 HydrophobicContact CE2-CD1 4.36Å; Y330-L404 HydrophobicContact CG-CD2 4.27Å; F332-L404 HydrophobicContact CE1-CD2 4.07Å; F332-L404 HydrophobicContact CZ-CD2 3.84Å; L344-L404 HydrophobicContact CD2-CD1 3.63Å; M366-L404 HydrophobicContact CE-CD2 3.58Å; M366-L404 HydrophobicContact SD-CD2 3.84Å; L400-L404 PolarHBondContact O-N 2.87Å; A401-L404 WeakPolarHBondContact O-CB 3.48Å; A401-L404 PolarHBondContact O-N 2.91Å; I402-L404 VanDerWaalsContact C-N 3.27Å; I402-L404 PolarHBondContact O-N 2.88Å; L404-K406 VanDerWaalsContact C-N 3.31Å; L404-K406 PolarHBondContact O-N 3.09Å; L404-L407 HydrophobicContact CD1-CD2 4.38Å; L404-L407 WeakPolarHBondContact O-CA 3.41Å; L404-L407 WeakPolarHBondContact O-CB 3.33Å; L404-L407 PolarHBondContact O-N 3.49Å; L404-L407 VanDerWaalsContact O-N 3.07Å; L404-M408 HydrophobicContact CG-CG 4.42Å; L404-M408 HydrophobicContact CG-SD 4.23Å; L404-M408 VanDerWaalsContact O-CG 3.27Å; L404-M408 WeakPolarHBondContact O-CG 3.35Å; L404-M408 PolarHBondContact O-N 3.46Å
405E83.5Confident77.9Confident54 Ų5472.5 Ų72.525%0.25237%0.369SS..Hα-helixtrans-59-40.9175.6177.7173.7-156.300112.2P383 A401 I402 K403 L407 M408 G409P383-E405 HydrophobicContact CB-CB 4.41Å; P383-E405 HydrophobicContact CB-CG 4.34Å; P383-E405 HydrophobicContact CG-CB 4.05Å; P383-E405 HydrophobicContact CG-CG 3.82Å; A401-E405 PolarHBondContact O-N 2.89Å; I402-E405 PolarHBondContact O-N 2.81Å; K403-E405 PolarHBondContact O-N 2.96Å; E405-L407 VanDerWaalsContact C-N 3.32Å; E405-L407 PolarHBondContact O-N 3.35Å; E405-M408 PolarHBondContact O-N 3.28Å; E405-G409 PolarHBondContact O-N 3.34Å
406K79.9Confident74.9Confident145 Ų14574.1 Ų74.163%0.6338%0.384SS*.Hα-helixtrans-63-39.3174.5-69.4-179.3-179.1177.40111.9I402 K403 L404 G409 R410I402-K406 PolarHBondContact O-N 2.95Å; K403-K406 WeakPolarHBondContact O-CB 3.42Å; K403-K406 PolarHBondContact O-N 3.1Å; L404-K406 VanDerWaalsContact C-N 3.31Å; L404-K406 PolarHBondContact O-N 3.09Å; K406-G409 PolarHBondContact O-N 2.71Å; K406-R410 PolarHBondContact O-N 3.37Å; K406-R410 VanDerWaalsContact O-N 3.09Å
407L79.1Confident74Confident16 Ų1675.3 Ų75.38%0.08438%0.377CS..Hα-helixtrans-64.1-47.2175.3-17864.1000111V322 L346 K403 L404 E405 G409 R410 M411V322-L407 HydrophobicContact CG1-CD1 3.57Å; V322-L407 HydrophobicContact CG1-CD2 3.81Å; V322-L407 HydrophobicContact CG1-CG 4.35Å; V322-L407 HydrophobicContact CG2-CD1 4.21Å; L346-L407 HydrophobicContact CD1-CD2 3.44Å; L346-L407 VanDerWaalsContact CD1-CD2 3.44Å; K403-L407 PolarHBondContact O-N 3.05Å; L404-L407 HydrophobicContact CD1-CD2 4.38Å; L404-L407 WeakPolarHBondContact O-CA 3.41Å; L404-L407 WeakPolarHBondContact O-CB 3.33Å; L404-L407 PolarHBondContact O-N 3.49Å; L404-L407 VanDerWaalsContact O-N 3.07Å; E405-L407 VanDerWaalsContact C-N 3.32Å; E405-L407 PolarHBondContact O-N 3.35Å; L407-G409 VanDerWaalsContact C-N 3.26Å; L407-G409 PolarHBondContact O-N 3.45Å; L407-R410 WeakPolarHBondContact O-CA 3.33Å; L407-R410 WeakPolarHBondContact O-CB 3.43Å; L407-R410 PolarHBondContact O-N 2.97Å; L407-M411 HydrophobicContact CG-SD 4.36Å; L407-M411 WeakPolarHBondContact O-CG 3.33Å; L407-M411 PolarHBondContact O-N 3.14Å
408M81.7Confident73Confident7 Ų775.4 Ų75.43%0.03438%0.377CS..Hα-helixtrans-57.7-39.6175.3-65.2173.870.400111.6M376 F377 P383 L404 E405 R410 M411 N412M376-M408 VanDerWaalsContact C-CE 3.45Å; M376-M408 HydrophobicContact CB-CE 4.19Å; M376-M408 HydrophobicContact CE-CE 3.96Å; M376-M408 HydrophobicContact CE-SD 4.29Å; M376-M408 HydrophobicContact CG-CE 3.66Å; M376-M408 VanDerWaalsContact O-CE 3.25Å; M376-M408 WeakPolarHBondContact O-CE 3.44Å; M376-M408 HydrophobicContact SD-CE 4.41Å; F377-M408 HydrophobicContact CB-CE 4.26Å; F377-M408 HydrophobicContact CD1-CE 3.79Å; F377-M408 HydrophobicContact CD1-CG 4.24Å; F377-M408 HydrophobicContact CD2-CE 3.58Å; F377-M408 HydrophobicContact CE1-CE 3.94Å; F377-M408 HydrophobicContact CE1-CG 3.88Å; F377-M408 HydrophobicContact CE1-SD 4.09Å; F377-M408 HydrophobicContact CE2-CE 3.73Å; F377-M408 HydrophobicContact CE2-SD 4.17Å; F377-M408 HydrophobicContact CG-CE 3.61Å; F377-M408 HydrophobicContact CZ-CE 3.91Å; F377-M408 HydrophobicContact CZ-CG 4.28Å; F377-M408 HydrophobicContact CZ-SD 3.91Å; P383-M408 HydrophobicContact CG-SD 4.21Å; L404-M408 HydrophobicContact CG-CG 4.42Å; L404-M408 HydrophobicContact CG-SD 4.23Å; L404-M408 VanDerWaalsContact O-CG 3.27Å; L404-M408 WeakPolarHBondContact O-CG 3.35Å; L404-M408 PolarHBondContact O-N 3.46Å; E405-M408 PolarHBondContact O-N 3.28Å; M408-R410 VanDerWaalsContact C-N 3.34Å; M408-R410 PolarHBondContact O-N 3.18Å; M408-M411 PolarHBondContact O-N 3.04Å; M408-N412 WeakPolarHBondContact O-CB 3.32Å; M408-N412 VanDerWaalsContact O-CG 3.3Å; M408-N412 PolarHBondContact O-N 3.47Å; M408-N412 PolarHBondContact O-ND2 3.1Å
409G72.1Confident72.2Confident32 Ų3274.9 Ų74.933%0.3337%0.374SS..Hα-helixtrans-63.3-35.6173.600000113.7E405 K406 L407 K413E405-G409 PolarHBondContact O-N 3.34Å; K406-G409 PolarHBondContact O-N 2.71Å; L407-G409 VanDerWaalsContact C-N 3.26Å; L407-G409 PolarHBondContact O-N 3.45Å; G409-K413 WeakPolarHBondContact O-CG 3.21Å; G409-K413 PolarHBondContact O-N 2.85Å; G409-K413 VanDerWaalsContact O-N 3.14Å
410R68.8Low71.2Confident171 Ų17173.7 Ų73.765%0.64536%0.362SS*.Hα-helixtrans-70.6-41.9172.7-70.3178.7-179.6-173.9-0.9111.6K406 L407 M408 N412 K413 A414K406-R410 PolarHBondContact O-N 3.37Å; K406-R410 VanDerWaalsContact O-N 3.09Å; L407-R410 WeakPolarHBondContact O-CA 3.33Å; L407-R410 WeakPolarHBondContact O-CB 3.43Å; L407-R410 PolarHBondContact O-N 2.97Å; M408-R410 VanDerWaalsContact C-N 3.34Å; M408-R410 PolarHBondContact O-N 3.18Å; R410-N412 VanDerWaalsContact C-N 3.29Å; R410-N412 PolarHBondContact O-N 3.21Å; R410-K413 CarbonylContact O-C 3.59Å; R410-K413 PolarHBondContact O-N 2.83Å; R410-K413 VanDerWaalsContact O-N 3.16Å; R410-A414 WeakPolarHBondContact O-CB 3.44Å; R410-A414 PolarHBondContact O-N 3.27Å
411M66.9Low70Confident15 Ų1577.4 Ų77.47%0.07438%0.38CS..Hα-helixtrans-58.9-42.2174.9-66.8175.573.700111.2I313 I314 V317 L407 M408 K413 A414 R415I313-M411 HydrophobicContact CG2-CE 4.08Å; I314-M411 HydrophobicContact CB-CE 4.35Å; I314-M411 HydrophobicContact CG1-CE 3.8Å; V317-M411 HydrophobicContact CB-CE 4.33Å; V317-M411 HydrophobicContact CB-CG 4.41Å; V317-M411 HydrophobicContact CG1-CG 4Å; V317-M411 HydrophobicContact CG2-CE 4.11Å; V317-M411 HydrophobicContact CG2-CG 4.37Å; L407-M411 HydrophobicContact CG-SD 4.36Å; L407-M411 WeakPolarHBondContact O-CG 3.33Å; L407-M411 PolarHBondContact O-N 3.14Å; M408-M411 PolarHBondContact O-N 3.04Å; M411-K413 PolarHBondContact O-N 3.07Å; M411-A414 PolarHBondContact O-N 3.04Å; M411-R415 VanDerWaalsContact O-CG 3.25Å; M411-R415 WeakPolarHBondContact O-CG 3.44Å; M411-R415 PolarHBondContact O-N 3.01Å; M411-R415 VanDerWaalsContact O-N 3.16Å
412N63.9Low68.8Low36 Ų3682 Ų8219%0.19340%0.401CS..Hα-helixtrans-69.3-31.4177-70.2-19.8000113.2F377 G379 M408 R410 R415 L416F377-N412 PolarHBondContact O-OD1 3.27Å; G379-N412 WeakPolarHBondContact CA-ND2 3.49Å; G379-N412 PolarHBondContact N-ND2 3.12Å; M408-N412 WeakPolarHBondContact O-CB 3.32Å; M408-N412 VanDerWaalsContact O-CG 3.3Å; M408-N412 PolarHBondContact O-N 3.47Å; M408-N412 PolarHBondContact O-ND2 3.1Å; R410-N412 VanDerWaalsContact C-N 3.29Å; R410-N412 PolarHBondContact O-N 3.21Å; N412-R415 PolarHBondContact O-N 3.36Å; N412-L416 PolarHBondContact O-N 2.91Å
413K56.6Low67.6Low161 Ų16181.4 Ų81.470%0.740%0.396SS*.Hα-helixtrans-78.2-23.5173.6-75.2-179.3-178.5-175.20114G409 R410 M411 R415G409-K413 WeakPolarHBondContact O-CG 3.21Å; G409-K413 PolarHBondContact O-N 2.85Å; G409-K413 VanDerWaalsContact O-N 3.14Å; R410-K413 CarbonylContact O-C 3.59Å; R410-K413 PolarHBondContact O-N 2.83Å; R410-K413 VanDerWaalsContact O-N 3.16Å; M411-K413 PolarHBondContact O-N 3.07Å; K413-R415 VanDerWaalsContact C-N 3.29Å
414A45.1Very low66Low82 Ų8281.8 Ų81.868%0.67840%0.401SS*.Hα-helixtrans-81.4-13172.300000112.2R410 M411R410-A414 WeakPolarHBondContact O-CB 3.44Å; R410-A414 PolarHBondContact O-N 3.27Å; M411-A414 PolarHBondContact O-N 3.04Å
415R45.3Very low64.4Low143 Ų14388.3 Ų88.354%0.5443%0.433SS..  trans-90.7-9.8170.8-68.4170.599.8175.36.2113F377 M411 N412 K413F377-R415 PolarHBondContact O-NH1 2.78Å; M411-R415 VanDerWaalsContact O-CG 3.25Å; M411-R415 WeakPolarHBondContact O-CG 3.44Å; M411-R415 PolarHBondContact O-N 3.01Å; M411-R415 VanDerWaalsContact O-N 3.16Å; N412-R415 PolarHBondContact O-N 3.36Å; K413-R415 VanDerWaalsContact C-N 3.29Å
416L29.8Very low62.7Low198 Ų19891.5 Ų91.5100%1.03745%0.449SS*.  trans-1050173.4-73.9166.7000109.5N412N412-L416 PolarHBondContact O-N 2.91Å

Retrieved 416 of 416 residues in 883.6 ms (Link to these results)

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