A0A077ZGC9_TRITR Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A077ZGC9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 286 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
1M42.4Very low74.4Confident244 Ų244151.4 Ų151.4100%1.20271%0.713SS**  0122.80-75.7178.4172.400107.5
2L53.3Low75.4Confident169 Ų169151.8 Ų151.889%0.88570%0.703SS**PPolyproline II helixtrans-64.6140165.9-76.5158.9000107.6R4L2-R4 PolarHBondContact O-N 3.28Å
3P63.4Low76Confident113 Ų113152.9 Ų152.973%0.73471%0.709SS**PPolyproline II helixtrans-55.6141.3178.120.3-29.4000110R5P3-R5 PolarHBondContact O-N 3.21Å
4R69.3Low76.4Confident253 Ų253150.1 Ų150.196%0.95571%0.711SS**PPolyproline II helixtrans-55.3117175.1-79.9-172.2170.1-155.9-1.6107.8L2 H6L2-R4 PolarHBondContact O-N 3.28Å; R4-H6 PolarHBondContact O-N 3.49Å
5R75.9Confident76.5Confident182 Ų182155.8 Ų155.869%0.68772%0.723SS**PPolyproline II helixtrans-57.9134.4174.1-74.2-173.7179.9177.10.6108.8P3 D9 F10P3-R5 PolarHBondContact O-N 3.21Å; R5-D9 HydrophobicContact CB-CB 4.07Å; R5-D9 HydrophobicContact CG-CB 4.49Å; R5-F10 HydrophobicContact CB-CD2 4.45Å; R5-F10 HydrophobicContact CB-CE2 3.66Å; R5-F10 HydrophobicContact CB-CZ 3.85Å
6H84.4Confident76.2Confident126 Ų126153 Ų15358%0.58372%0.72SS**PPolyproline II helixtrans-70.2154.2178.6-171.5-100.7000109R4 Y8 D9 F10R4-H6 PolarHBondContact O-N 3.49Å; H6-Y8 WeakPolarHBondContact ND1-CB 3.46Å; H6-Y8 PolarHBondContact ND1-N 3.19Å; H6-Y8 PolarHBondContact O-N 3.42Å; H6-D9 PolarHBondContact N-OD2 3.3Å; H6-D9 VanDerWaalsContact N-OD2 3.08Å; H6-D9 WeakPolarHBondContact O-CB 3.17Å; H6-D9 PolarHBondContact O-N 3.44Å; H6-F10 WeakPolarHBondContact O-CD2 3.24Å
7I86.8Confident75.6Confident125 Ų125149.2 Ų149.264%0.64171%0.711SS**Hα-helixtrans-51.6-35.4176-171.3164.9000111.7D9 F10 V11I7-D9 VanDerWaalsContact C-N 3.29Å; I7-D9 PolarHBondContact O-N 2.68Å; I7-F10 PolarHBondContact O-N 3.08Å; I7-F10 VanDerWaalsContact O-N 3.1Å; I7-V11 WeakPolarHBondContact O-CG2 3.31Å; I7-V11 PolarHBondContact O-N 3.21Å
8Y83.9Confident75.3Confident135 Ų135149.1 Ų149.153%0.52972%0.715SS.*Hα-helixtrans-53.4-40172.9-177.4-99.5000113.4H6 F10 V11 R12H6-Y8 WeakPolarHBondContact ND1-CB 3.46Å; H6-Y8 PolarHBondContact ND1-N 3.19Å; H6-Y8 PolarHBondContact O-N 3.42Å; Y8-F10 PolarHBondContact O-N 3.03Å; Y8-V11 PolarHBondContact O-N 3.18Å; Y8-R12 HydrophobicContact CD1-CB 4.45Å; Y8-R12 HydrophobicContact CE1-CB 4.12Å; Y8-R12 VanDerWaalsContact O-CB 3.24Å; Y8-R12 WeakPolarHBondContact O-CB 3.42Å; Y8-R12 VanDerWaalsContact O-CG 3.3Å; Y8-R12 WeakPolarHBondContact O-CG 3.17Å; Y8-R12 PolarHBondContact O-N 3.22Å
9D84.9Confident74.6Confident69 Ų69149.6 Ų149.637%0.36971%0.714SS.*Hα-helixtrans-67.8-25.3-179.3-67.1-41.4000113.1R5 H6 I7R5-D9 HydrophobicContact CB-CB 4.07Å; R5-D9 HydrophobicContact CG-CB 4.49Å; H6-D9 PolarHBondContact N-OD2 3.3Å; H6-D9 VanDerWaalsContact N-OD2 3.08Å; H6-D9 WeakPolarHBondContact O-CB 3.17Å; H6-D9 PolarHBondContact O-N 3.44Å; I7-D9 VanDerWaalsContact C-N 3.29Å; I7-D9 PolarHBondContact O-N 2.68Å
10F86.5Confident74.2Confident149 Ų149146.8 Ų146.865%0.65472%0.717SS**Hα-helixtrans-84-32.8177.6-65.4-79.5000112.5R5 H6 I7 Y8R5-F10 HydrophobicContact CB-CD2 4.45Å; R5-F10 HydrophobicContact CB-CE2 3.66Å; R5-F10 HydrophobicContact CB-CZ 3.85Å; H6-F10 WeakPolarHBondContact O-CD2 3.24Å; I7-F10 PolarHBondContact O-N 3.08Å; I7-F10 VanDerWaalsContact O-N 3.1Å; Y8-F10 PolarHBondContact O-N 3.03Å
11V87.9Confident73.7Confident100 Ų100145.5 Ų145.561%0.60671%0.713SS**Hα-helixtrans-99.5-14.2-176-57.40000113.7I7 Y8 Q13I7-V11 WeakPolarHBondContact O-CG2 3.31Å; I7-V11 PolarHBondContact O-N 3.21Å; Y8-V11 PolarHBondContact O-N 3.18Å; V11-Q13 PolarHBondContact O-N 3.5Å; V11-Q13 VanDerWaalsContact O-N 3.11Å
12R86.7Confident74.9Confident156 Ų156141.5 Ų141.559%0.58970%0.697SS**PPolyproline II helixtrans-60.6119.2178.259.5176.4-96.9-122.7-4.9109.8Y8Y8-R12 HydrophobicContact CD1-CB 4.45Å; Y8-R12 HydrophobicContact CE1-CB 4.12Å; Y8-R12 VanDerWaalsContact O-CB 3.24Å; Y8-R12 WeakPolarHBondContact O-CB 3.42Å; Y8-R12 VanDerWaalsContact O-CG 3.3Å; Y8-R12 WeakPolarHBondContact O-CG 3.17Å; Y8-R12 PolarHBondContact O-N 3.22Å
13Q83.3Confident75.7Confident167 Ų167141.1 Ų141.178%0.7869%0.69SS**PPolyproline II helixtrans-90.2148167-64.7179.8-2.200108.4V11 R15V11-Q13 PolarHBondContact O-N 3.5Å; V11-Q13 VanDerWaalsContact O-N 3.11Å; Q13-R15 PolarHBondContact O-N 2.98Å
14P81.1Confident76.1Confident114 Ų114144.8 Ų144.874%0.7469%0.691SS**PPolyproline II helixtrans-49135166.2-23.933.7000109.1V16P14-V16 VanDerWaalsContact C-N 3.35Å; P14-V16 PolarHBondContact O-N 2.77Å
15R77.9Confident76.2Confident235 Ų235138.6 Ų138.689%0.88768%0.681SS**  trans-65104.2169.4-69-174179.6170.5-0.9106.4Q13 P17Q13-R15 PolarHBondContact O-N 2.98Å; R15-P17 WeakPolarHBondContact O-CD 3.3Å
16V71Confident75.9Confident111 Ų111134.4 Ų134.467%0.67368%0.676SS**  trans-73.7119.3167.7-91.10000106.6P14P14-V16 VanDerWaalsContact C-N 3.35Å; P14-V16 PolarHBondContact O-N 2.77Å
17P66.4Low75.2Confident88 Ų88132.6 Ų132.657%0.57167%0.669SS**  trans-56143.3168.7-18.530.9000108.9R15 F19R15-P17 WeakPolarHBondContact O-CD 3.3Å; P17-F19 VanDerWaalsContact C-N 3.34Å; P17-F19 VanDerWaalsContact O-CD2 3.23Å; P17-F19 WeakPolarHBondContact O-CD2 3.18Å; P17-F19 PolarHBondContact O-N 2.87Å
18N70.6Confident74.4Confident148 Ų148131.1 Ų131.179%0.79166%0.662SS**  trans-69.497.2167.8-83.5-9000107.7A20N18-A20 PolarHBondContact O-N 2.66Å
19F62Low73.6Confident159 Ų159125.7 Ų125.770%0.69764%0.643SS**THydrogen-bonded Turntrans-65.84.6175.7-59.9-82.4000114P17 D21P17-F19 VanDerWaalsContact C-N 3.34Å; P17-F19 VanDerWaalsContact O-CD2 3.23Å; P17-F19 WeakPolarHBondContact O-CD2 3.18Å; P17-F19 PolarHBondContact O-N 2.87Å; F19-D21 PolarHBondContact O-N 3.04Å
20A66.9Low72.6Confident92 Ų92128.2 Ų128.276%0.7665%0.647SS**THydrogen-bonded Turntrans-60.5-33.7-179.400000111.3N18N18-A20 PolarHBondContact O-N 2.66Å
21D63.8Low71.8Confident121 Ų121124.4 Ų124.465%0.64764%0.644SS**SBendtrans-113.7134.7168.9-58.4-48.8000106.8F19 E23F19-D21 PolarHBondContact O-N 3.04Å; D21-E23 HydrophobicContact CB-CB 4.34Å; D21-E23 PolarHBondContact O-N 2.93Å
22N66.7Low71.1Confident159 Ų159123.2 Ų123.285%0.8563%0.631SS**  trans-66.347.6167.4-90.8-0.3000110.6Y24N22-Y24 PolarHBondContact O-N 3.21Å
23E71.4Confident70.7Confident161 Ų161118 Ų11875%0.75261%0.614SS**  trans-71.3104.1-178.1-165-179.7-17500108.1D21D21-E23 HydrophobicContact CB-CB 4.34Å; D21-E23 PolarHBondContact O-N 2.93Å
24Y71.4Confident70.6Confident190 Ų190114 Ų11475%0.74561%0.609SS**  trans-84134170.854.1-86.3000108.5N22N22-Y24 PolarHBondContact O-N 3.21Å
25V70.6Confident71Confident123 Ų123113.5 Ų113.575%0.74560%0.597SS**  trans-91.7110.8167.2179.40000107.1I27V25-I27 PolarHBondContact O-N 3.32Å; V25-I27 VanDerWaalsContact O-N 3.13Å
26T69.5Low71.6Confident95 Ų95103 Ų10358%0.58356%0.559SS**  trans-69.5109.6171.4-55.90000108.9I28T26-I28 PolarHBondContact O-N 3.32Å
27I70.3Confident72.6Confident87 Ų8799.8 Ų99.845%0.44654%0.539SS..  trans-84.2109.1175.1-60.9-178.2000107V25 P29 F32V25-I27 PolarHBondContact O-N 3.32Å; V25-I27 VanDerWaalsContact O-N 3.13Å; I27-P29 WeakPolarHBondContact O-CD 3.35Å; I27-F32 HydrophobicContact CG2-CD2 3.95Å; I27-F32 HydrophobicContact CG2-CE2 3.25Å; I27-F32 HydrophobicContact CG2-CZ 4Å
28I70.2Confident74Confident94 Ų9495.6 Ų95.648%0.48251%0.512SS..  trans-73.6110.4170.2-56.9173.9000107.3T26 R30 A31T26-I28 PolarHBondContact O-N 3.32Å; I28-R30 HydrophobicContact CG2-CB 4.01Å; I28-R30 HydrophobicContact CG2-CG 4.44Å; I28-R30 PolarHBondContact O-N 3.46Å; I28-R30 VanDerWaalsContact O-N 3.07Å; I28-A31 VanDerWaalsContact O-CB 3.28Å; I28-A31 WeakPolarHBondContact O-CB 3.41Å; I28-A31 PolarHBondContact O-N 3.35Å
29P65.9Low75.2Confident21 Ų2191.4 Ų91.414%0.13649%0.493CS..G310 helixtrans-57.2-33.8-175.3-27.839000112.5I27 A31 F32 I100 Q104I27-P29 WeakPolarHBondContact O-CD 3.35Å; P29-A31 PolarHBondContact O-N 2.88Å; P29-F32 PolarHBondContact O-N 2.85Å; P29-F32 VanDerWaalsContact O-N 3.09Å; P29-I100 HydrophobicContact CB-CG2 3.69Å; P29-I100 HydrophobicContact CG-CG2 4.29Å; P29-Q104 HydrophobicContact CB-CG 4.12Å; P29-Q104 HydrophobicContact CG-CG 4.07Å
30R65Low76.7Confident122 Ų12285.5 Ų85.546%0.4647%0.468SS..G310 helixtrans-60.5-24.5179.1-57.2178.6-178.6148.75.7113.5I28 F32 N33 F169I28-R30 HydrophobicContact CG2-CB 4.01Å; I28-R30 HydrophobicContact CG2-CG 4.44Å; I28-R30 PolarHBondContact O-N 3.46Å; I28-R30 VanDerWaalsContact O-N 3.07Å; R30-F32 PolarHBondContact O-N 3.25Å; R30-N33 PolarHBondContact O-N 3.43Å; R30-N33 PolarHBondContact O-ND2 2.96Å; R30-F169 HydrophobicContact CG-CE1 4.27Å; R30-F169 HydrophobicContact CG-CZ 4.48Å
31A69.3Low78Confident69 Ų6981.4 Ų81.457%0.5743%0.434SS*.G310 helixtrans-66.8-25.6177.900000112.4I28 P29I28-A31 VanDerWaalsContact O-CB 3.28Å; I28-A31 WeakPolarHBondContact O-CB 3.41Å; I28-A31 PolarHBondContact O-N 3.35Å; P29-A31 PolarHBondContact O-N 2.88Å
32F74.3Confident79.3Confident76 Ų7678.6 Ų78.633%0.33342%0.419SS..G310 helixtrans-99.29.3-176.1-56.2-82.5000113.5I27 P29 R30 A34 E35 L36I27-F32 HydrophobicContact CG2-CD2 3.95Å; I27-F32 HydrophobicContact CG2-CE2 3.25Å; I27-F32 HydrophobicContact CG2-CZ 4Å; P29-F32 PolarHBondContact O-N 2.85Å; P29-F32 VanDerWaalsContact O-N 3.09Å; R30-F32 PolarHBondContact O-N 3.25Å; F32-A34 PolarHBondContact O-N 2.81Å; F32-A34 VanDerWaalsContact O-N 3.13Å; F32-E35 VanDerWaalsContact CA-OE2 3.3Å; F32-E35 WeakPolarHBondContact CA-OE2 3.48Å; F32-E35 PolarHBondContact O-N 2.82Å; F32-E35 VanDerWaalsContact O-N 3.07Å; F32-L36 HydrophobicContact CB-CD1 3.89Å; F32-L36 HydrophobicContact CB-CG 3.86Å; F32-L36 WeakPolarHBondContact O-CG 2.79Å; F32-L36 PolarHBondContact O-N 2.83Å
33N77.4Confident80.5Confident46 Ų4672.2 Ų72.225%0.24638%0.384CS..Hα-helixtrans-56.3-35.4-175-79.7-13.5000112.1R30 T37R30-N33 PolarHBondContact O-N 3.43Å; R30-N33 PolarHBondContact O-ND2 2.96Å; N33-T37 WeakPolarHBondContact O-CB 2.76Å; N33-T37 PolarHBondContact O-N 2.88Å; N33-T37 PolarHBondContact O-OG1 3.44Å
34A80.3Confident81.4Confident82 Ų8267.9 Ų67.968%0.67837%0.369SS*.Hα-helixtrans-70.9-38.4179.500000112.2F32F32-A34 PolarHBondContact O-N 2.81Å; F32-A34 VanDerWaalsContact O-N 3.13Å
35E89.3Confident82.5Confident105 Ų10559 Ų5949%0.49133%0.334SS..Hα-helixtrans-75.5-39.3-177.5-66.169.5-155.700111.7F32 T37 Y93F32-E35 VanDerWaalsContact CA-OE2 3.3Å; F32-E35 WeakPolarHBondContact CA-OE2 3.48Å; F32-E35 PolarHBondContact O-N 2.82Å; F32-E35 VanDerWaalsContact O-N 3.07Å; E35-T37 VanDerWaalsContact C-N 3.33Å; E35-Y93 PolarHBondContact O-OH 2.89Å
36L91.9Very high83.7Confident15 Ų1559.9 Ų59.98%0.07933%0.328CS..Hα-helixtrans-85.4-5.2-177.8-54.3-175.3000113.1F32 V44 L45 Y93 I97 I100F32-L36 HydrophobicContact CB-CD1 3.89Å; F32-L36 HydrophobicContact CB-CG 3.86Å; F32-L36 WeakPolarHBondContact O-CG 2.79Å; F32-L36 PolarHBondContact O-N 2.83Å; L36-V44 CarbonylContact O-C 3.5Å; L36-V44 WeakPolarHBondContact O-CA 3.42Å; L36-L45 WeakPolarHBondContact O-CG 3.33Å; L36-L45 PolarHBondContact O-N 3.39Å; L36-Y93 HydrophobicContact CD2-CE1 3.93Å; L36-Y93 WeakPolarHBondContact CD2-OH 3.48Å; L36-I97 HydrophobicContact CD2-CG1 3.83Å; L36-I100 HydrophobicContact CD1-CB 4.35Å; L36-I100 HydrophobicContact CD1-CD1 3.95Å; L36-I100 HydrophobicContact CD1-CG2 3.91Å
37T92.4Very high85Confident43 Ų4360.3 Ų60.326%0.26433%0.327SS..BIsolated β-bridgetrans-93.5130.6-178-68.90000111.8N33 E35 L42 D43N33-T37 WeakPolarHBondContact O-CB 2.76Å; N33-T37 PolarHBondContact O-N 2.88Å; N33-T37 PolarHBondContact O-OG1 3.44Å; E35-T37 VanDerWaalsContact C-N 3.33Å; T37-L42 VanDerWaalsContact CG2-C 3.47Å; T37-L42 HydrophobicContact CG2-CB 4.03Å; T37-D43 CarbonylContact C-O 3.47Å; T37-D43 WeakPolarHBondContact CA-O 3.06Å
38C95.9Very high86.4Confident0 Ų056.1 Ų56.10%031%0.306CS..  trans-69.7123.8171.9-177.90000110.4I40 C41 L42 D43 L45 C59C38-I40 PolarHBondContact O-N 2.8Å; C38-C41 VanDerWaalsContact CB-SG 3.55Å; C38-L42 WeakPolarHBondContact O-CA 2.75Å; C38-L42 PolarHBondContact O-N 2.82Å; C38-D43 PolarHBondContact N-O 2.77Å; C38-L45 HydrophobicContact CB-CD2 3.62Å; C38-L45 HydrophobicContact CB-CG 4.19Å; C38-C59 VanDerWaalsContact CB-SG 3.58Å; C38-C59 PolarHBondContact SG-N 3.36Å; C38-C59 VanDerWaalsContact SG-N 3.39Å
39P94.2Very high87.7Confident60 Ų6052.4 Ų52.439%0.3929%0.286SS..THydrogen-bonded Turntrans-71-5.8-178.231.2-39.3000114.1L42 R57 F58P39-L42 WeakPolarHBondContact O-CD2 3.46Å; P39-R57 WeakPolarHBondContact CD-O 3.42Å; P39-F58 HydrophobicContact CG-CD1 3.54Å; P39-F58 HydrophobicContact CG-CE1 3.33Å; P39-F58 HydrophobicContact CG-CZ 4.39Å
40I94.7Very high89.2Confident35 Ų3555.4 Ų55.418%0.17930%0.295CS..THydrogen-bonded Turntrans-91.2-57.3177.4-60.2166.5000110.3C38 F58 C62 I63 A66 P75 V192 T196C38-I40 PolarHBondContact O-N 2.8Å; I40-F58 HydrophobicContact CD1-CB 4.21Å; I40-F58 HydrophobicContact CD1-CD1 3.53Å; I40-F58 HydrophobicContact CD1-CE1 4.24Å; I40-F58 HydrophobicContact CD1-CG 4.1Å; I40-F58 HydrophobicContact CG1-CD1 3.81Å; I40-F58 HydrophobicContact CG1-CE1 4.3Å; I40-C62 HydrophobicContact CB-CB 3.96Å; I40-C62 HydrophobicContact CD1-CB 3.82Å; I40-C62 HydrophobicContact CG2-CB 3.92Å; I40-I63 HydrophobicContact CD1-CB 4.32Å; I40-I63 HydrophobicContact CD1-CD1 4.25Å; I40-A66 HydrophobicContact CD1-CB 4.17Å; I40-P75 HydrophobicContact CD1-CG 4.06Å; I40-P75 HydrophobicContact CG1-CB 4.25Å; I40-P75 HydrophobicContact CG1-CG 4.23Å; I40-V192 VanDerWaalsContact O-CG1 3.24Å; I40-V192 WeakPolarHBondContact O-CG1 3.29Å; I40-T196 HydrophobicContact CG2-CG2 4.26Å
41C94.1Very high90.8Very high6 Ų649.6 Ų49.64%0.04127%0.273CS..THydrogen-bonded Turntrans-91.8-7.8-17962.30000113.9C38 D43 R189 T196C38-C41 VanDerWaalsContact CB-SG 3.55Å; C41-D43 PolarHBondContact O-N 2.88Å; C41-D43 VanDerWaalsContact O-N 3.15Å; C41-R189 PolarHBondContact O-NH1 2.63Å; C41-R189 PolarHBondContact O-NH2 2.81Å; C41-T196 HydrophobicContact CB-CG2 4.42Å
42L90.8Very high92Very high62 Ų6251.9 Ų51.933%0.32527%0.27SS..  trans46.234.1-171.7-4.1156.3000114.4T37 C38 P39 M188 R189T37-L42 VanDerWaalsContact CG2-C 3.47Å; T37-L42 HydrophobicContact CG2-CB 4.03Å; C38-L42 WeakPolarHBondContact O-CA 2.75Å; C38-L42 PolarHBondContact O-N 2.82Å; P39-L42 WeakPolarHBondContact O-CD2 3.46Å; L42-M188 HydrophobicContact CD1-CE 3.88Å; L42-R189 VanDerWaalsContact C-NH2 3.27Å; L42-R189 VanDerWaalsContact O-CZ 3.26Å; L42-R189 PolarHBondContact O-NH1 2.78Å; L42-R189 PolarHBondContact O-NH2 3.29Å
43D90.8Very high92.9Very high24 Ų2454.7 Ų54.713%0.12828%0.284CS..SBendtrans-109.7167.7168.4-98.8-20.6000109.9T37 C38 C41 L45 K166 R189 K197T37-D43 CarbonylContact C-O 3.47Å; T37-D43 WeakPolarHBondContact CA-O 3.06Å; C38-D43 PolarHBondContact N-O 2.77Å; C41-D43 PolarHBondContact O-N 2.88Å; C41-D43 VanDerWaalsContact O-N 3.15Å; D43-L45 PolarHBondContact O-N 2.92Å; D43-K166 IonicContact OD1-NZ 3.98Å; D43-K166 PolarHBondContact OD1-NZ 2.96Å; D43-K166 IonicContact OD2-NZ 3.65Å; D43-K166 PolarHBondContact OD2-NZ 2.95Å; D43-R189 IonicContact OD1-NH2 3.74Å; D43-R189 PolarHBondContact OD1-NH2 2.7Å; D43-R189 IonicContact OD2-NH2 2.67Å; D43-K197 WeakPolarHBondContact OD2-CE 3.24Å; D43-K197 IonicContact OD2-NZ 3.59Å; D43-K197 PolarHBondContact OD2-NZ 3.02Å
44V91.2Very high93.9Very high70 Ų7054 Ų5442%0.42428%0.282SS..BIsolated β-bridgetrans-50.5134.1168.2-176.90000110.1L36 I97L36-V44 CarbonylContact O-C 3.5Å; L36-V44 WeakPolarHBondContact O-CA 3.42Å; V44-I97 HydrophobicContact CG1-CG2 3.56Å
45L95.2Very high94.6Very high4 Ų455.3 Ų55.32%0.02128%0.277CS..  trans-56.3135.9178.2-75.5161.8000110.9L36 C38 D43 T48 R57 F58 Y93 I97L36-L45 WeakPolarHBondContact O-CG 3.33Å; L36-L45 PolarHBondContact O-N 3.39Å; C38-L45 HydrophobicContact CB-CD2 3.62Å; C38-L45 HydrophobicContact CB-CG 4.19Å; D43-L45 PolarHBondContact O-N 2.92Å; L45-T48 HydrophobicContact CD1-CG2 4.46Å; L45-R57 HydrophobicContact CD1-CB 3.94Å; L45-R57 HydrophobicContact CD2-CB 4.35Å; L45-F58 VanDerWaalsContact CD2-CA 3.41Å; L45-Y93 HydrophobicContact CD1-CD1 4.13Å; L45-Y93 HydrophobicContact CD1-CE1 3.56Å; L45-I97 HydrophobicContact CB-CD1 3.65Å
46K95.1Very high95.1Very high141 Ų14153.5 Ų53.561%0.61327%0.269SS*.  trans-133133.8176.9-61.6-173.4-179.2-171.50110C59 K60K46-C59 PolarHBondContact N-SG 3.3Å; K46-C59 VanDerWaalsContact O-CA 3.23Å; K46-C59 WeakPolarHBondContact O-CA 3.31Å; K46-C59 WeakPolarHBondContact O-CB 3.17Å; K46-K60 PolarHBondContact O-N 3.14Å
47N97.5Very high95.3Very high104 Ų10456.6 Ų56.656%0.55628%0.28SS*.SBendtrans46.863.2-173.6-55.8124.2000110.1M49 K60 D94N47-M49 PolarHBondContact O-N 3.31Å; N47-K60 HydrophobicContact CB-CB 3.99Å; N47-K60 HydrophobicContact CB-CD 4.42Å; N47-K60 WeakPolarHBondContact O-CB 3.16Å; N47-K60 PolarHBondContact O-N 3.25Å; N47-K60 VanDerWaalsContact O-N 3.08Å; N47-D94 WeakPolarHBondContact CA-OD2 3.49Å; N47-D94 PolarHBondContact N-OD1 3.23Å
48T98.1Very high95.6Very high0 Ų054.6 Ų54.60%027%0.267CS..EExtended strand (participates in β ladder)trans-61.3130.6-164.9-59.70000111.3L45 R57 A89 D90 Y93 D94L45-T48 HydrophobicContact CD1-CG2 4.46Å; T48-R57 HydrophobicContact CG2-CB 3.92Å; T48-R57 HydrophobicContact CG2-CG 4.01Å; T48-A89 WeakPolarHBondContact O-CA 3.36Å; T48-D90 HydrophobicContact CG2-CB 4.22Å; T48-D90 PolarHBondContact O-N 3.49Å; T48-Y93 HydrophobicContact CG2-CD1 3.93Å; T48-Y93 HydrophobicContact CG2-CG 4.35Å; T48-D94 WeakPolarHBondContact CB-OD1 3.47Å; T48-D94 PolarHBondContact N-OD1 3.02Å; T48-D94 PolarHBondContact N-OD2 2.9Å; T48-D94 VanDerWaalsContact N-OD2 3.12Å; T48-D94 PolarHBondContact OG1-OD1 3.36Å
49M98.2Very high95.7Very high15 Ų1555 Ų557%0.07427%0.27CS..EExtended strand (participates in β ladder)trans-113133.1169.9-62.2-64.7-63.200109.1N47 R57 F58 K60 I63 L87 V88 A89N47-M49 PolarHBondContact O-N 3.31Å; M49-R57 WeakPolarHBondContact O-CA 3.46Å; M49-F58 PolarHBondContact N-O 2.82Å; M49-F58 PolarHBondContact O-N 2.96Å; M49-K60 VanDerWaalsContact CG-CA 3.46Å; M49-K60 HydrophobicContact CG-CB 3.68Å; M49-K60 HydrophobicContact CG-CG 4.02Å; M49-K60 HydrophobicContact SD-CB 4.3Å; M49-K60 HydrophobicContact SD-CG 4.18Å; M49-I63 HydrophobicContact CB-CG2 3.94Å; M49-I63 HydrophobicContact CG-CG2 4.18Å; M49-L87 HydrophobicContact CE-CB 3.61Å; M49-V88 CarbonylContact C-O 3.59Å; M49-V88 WeakPolarHBondContact CA-O 3.42Å; M49-A89 HydrophobicContact SD-CB 3.99Å
50R97.9Very high95.9Very high85 Ų8556.5 Ų56.532%0.32127%0.271SS..EExtended strand (participates in β ladder)trans-109.4144.4172.966.4175.9176.7-144.84.8111.9H56 R57 L87 V88 D90R50-H56 WeakPolarHBondContact CA-O 3.35Å; R50-R57 HydrophobicContact CB-CG 4.2Å; R50-L87 CarbonylContact O-C 3.59Å; R50-L87 WeakPolarHBondContact O-CA 3.46Å; R50-V88 HydrophobicContact CG-CB 4.25Å; R50-V88 PolarHBondContact N-O 3.31Å; R50-V88 PolarHBondContact O-N 3.1Å; R50-D90 WeakPolarHBondContact CD-OD2 3.16Å; R50-D90 HydrophobicContact CG-CB 4.3Å; R50-D90 IonicContact CZ-OD2 3.89Å; R50-D90 IonicContact NH1-OD1 3.13Å; R50-D90 PolarHBondContact NH1-OD1 2.82Å; R50-D90 VanDerWaalsContact NH1-OD1 3.13Å; R50-D90 IonicContact NH1-OD2 3.02Å; R50-D90 PolarHBondContact NH1-OD2 3.2Å
51S97.3Very high95.9Very high0 Ų059.6 Ų59.60%029%0.287CS..EExtended strand (participates in β ladder)trans-69.2137.3167170.10000111E53 C54 L55 H56 L81S51-E53 VanDerWaalsContact C-N 3.34Å; S51-E53 PolarHBondContact OG-N 3.17Å; S51-E53 VanDerWaalsContact OG-N 3.15Å; S51-C54 WeakPolarHBondContact CB-SG 3.33Å; S51-C54 PolarHBondContact OG-N 3.41Å; S51-C54 PolarHBondContact OG-SG 3.04Å; S51-L55 VanDerWaalsContact O-CA 3.24Å; S51-L55 WeakPolarHBondContact O-CA 3.29Å; S51-L55 PolarHBondContact O-N 2.89Å; S51-H56 PolarHBondContact N-O 3.1Å; S51-L81 WeakPolarHBondContact OG-CD2 3.34Å
52K95.7Very high96.1Very high117 Ų11759.8 Ų59.851%0.50929%0.289SS..THydrogen-bonded Turntrans-69.8-32.9170.8-67.6177-178.9171.20112.6R85 S86 V88K52-R85 WeakPolarHBondContact CE-O 3.25Å; K52-R85 PolarHBondContact NZ-O 2.85Å; K52-S86 WeakPolarHBondContact CG-O 3.35Å; K52-S86 PolarHBondContact N-O 2.88Å; K52-V88 HydrophobicContact CD-CG2 3.93Å; K52-V88 HydrophobicContact CG-CG2 3.54Å
53E93.6Very high96.4Very high134 Ų13456.9 Ų56.963%0.62627%0.273SS*.THydrogen-bonded Turntrans-80.6-39.7-173.2-56.5-53.6136.300112.2S51S51-E53 VanDerWaalsContact C-N 3.34Å; S51-E53 PolarHBondContact OG-N 3.17Å; S51-E53 VanDerWaalsContact OG-N 3.15Å
54C97.3Very high96.6Very high31 Ų3157.3 Ų57.321%0.20928%0.277CS..THydrogen-bonded Turntrans-130.51.3-170.563.70000114.9S51 H56 C77 A79S51-C54 WeakPolarHBondContact CB-SG 3.33Å; S51-C54 PolarHBondContact OG-N 3.41Å; S51-C54 PolarHBondContact OG-SG 3.04Å; C54-H56 PolarHBondContact O-N 3.48Å; C54-H56 PolarHBondContact SG-ND1 2.96Å; C54-C77 VanDerWaalsContact CB-SG 3.56Å; C54-C77 PolarHBondContact SG-SG 3.13Å; C54-A79 HydrophobicContact CB-CB 4.23Å
55L96.4Very high96.7Very high110 Ų11056.8 Ų56.858%0.57627%0.267SS*.  trans58.74.4175.8-54.4178.2000116.7S51S51-L55 VanDerWaalsContact O-CA 3.24Å; S51-L55 WeakPolarHBondContact O-CA 3.29Å; S51-L55 PolarHBondContact O-N 2.89Å
56H98Very high96.6Very high67 Ų6758 Ų5831%0.3128%0.278SS..  trans-62.1144.7170.4-67.8118.5000111.5R50 S51 C54 F58 C77R50-H56 WeakPolarHBondContact CA-O 3.35Å; S51-H56 PolarHBondContact N-O 3.1Å; C54-H56 PolarHBondContact O-N 3.48Å; C54-H56 PolarHBondContact SG-ND1 2.96Å; H56-F58 HydrophobicContact CB-CE2 3.92Å; H56-F58 HydrophobicContact CB-CZ 3.9Å; H56-C77 PolarHBondContact ND1-SG 3.31Å; H56-C77 VanDerWaalsContact ND1-SG 3.39Å
57R97.9Very high96.6Very high81 Ų8152 Ų5231%0.30625%0.252SS..EExtended strand (participates in β ladder)trans-114.3144-170.4-67.7-177.7177.590.8-0.6112.3P39 L45 T48 M49 R50 D90 Y93P39-R57 WeakPolarHBondContact CD-O 3.42Å; L45-R57 HydrophobicContact CD1-CB 3.94Å; L45-R57 HydrophobicContact CD2-CB 4.35Å; T48-R57 HydrophobicContact CG2-CB 3.92Å; T48-R57 HydrophobicContact CG2-CG 4.01Å; M49-R57 WeakPolarHBondContact O-CA 3.46Å; R50-R57 HydrophobicContact CB-CG 4.2Å; R57-D90 IonicContact CZ-OD2 3.77Å; R57-D90 IonicContact NE-OD2 3.24Å; R57-D90 PolarHBondContact NE-OD2 3.01Å; R57-D90 IonicContact NH2-OD2 3.35Å; R57-D90 PolarHBondContact NH2-OD2 3.43Å; R57-Y93 VanDerWaalsContact NE-CD2 3.27Å
58F98.2Very high96.4Very high0 Ų056.4 Ų56.40%026%0.261CS..EExtended strand (participates in β ladder)trans-148.6157.6-178.9-49.2-86.2000110.7P39 I40 L45 M49 H56 I63 P75 T76P39-F58 HydrophobicContact CG-CD1 3.54Å; P39-F58 HydrophobicContact CG-CE1 3.33Å; P39-F58 HydrophobicContact CG-CZ 4.39Å; I40-F58 HydrophobicContact CD1-CB 4.21Å; I40-F58 HydrophobicContact CD1-CD1 3.53Å; I40-F58 HydrophobicContact CD1-CE1 4.24Å; I40-F58 HydrophobicContact CD1-CG 4.1Å; I40-F58 HydrophobicContact CG1-CD1 3.81Å; I40-F58 HydrophobicContact CG1-CE1 4.3Å; L45-F58 VanDerWaalsContact CD2-CA 3.41Å; M49-F58 PolarHBondContact N-O 2.82Å; M49-F58 PolarHBondContact O-N 2.96Å; H56-F58 HydrophobicContact CB-CE2 3.92Å; H56-F58 HydrophobicContact CB-CZ 3.9Å; F58-I63 HydrophobicContact CB-CB 3.68Å; F58-I63 HydrophobicContact CB-CG1 4.4Å; F58-I63 HydrophobicContact CB-CG2 4.11Å; F58-I63 HydrophobicContact CD1-CD1 4.43Å; F58-I63 HydrophobicContact CD2-CB 4.2Å; F58-I63 HydrophobicContact CD2-CD1 3.87Å; F58-I63 HydrophobicContact CD2-CG1 3.97Å; F58-I63 HydrophobicContact CE2-CD1 4.11Å; F58-I63 HydrophobicContact CG-CB 4.02Å; F58-I63 HydrophobicContact CG-CD1 4.06Å; F58-I63 HydrophobicContact CG-CG1 4.23Å; F58-I63 HydrophobicContact CZ-CD1 4.48Å; F58-P75 HydrophobicContact CE1-CB 3.97Å; F58-P75 HydrophobicContact CE1-CG 4.03Å; F58-P75 HydrophobicContact CZ-CB 4.45Å; F58-P75 HydrophobicContact CZ-CG 4.35Å; F58-T76 WeakPolarHBondContact CE1-OG1 3.47Å; F58-T76 WeakPolarHBondContact CZ-OG1 3.34Å
59C98.1Very high96Very high10 Ų1062.4 Ų62.47%0.06829%0.292CS..EExtended strand (participates in β ladder)trans-63.3141.3165.9-53.70000109.8C38 K46 D61 C62 I63C38-C59 VanDerWaalsContact CB-SG 3.58Å; C38-C59 PolarHBondContact SG-N 3.36Å; C38-C59 VanDerWaalsContact SG-N 3.39Å; K46-C59 PolarHBondContact N-SG 3.3Å; K46-C59 VanDerWaalsContact O-CA 3.23Å; K46-C59 WeakPolarHBondContact O-CA 3.31Å; K46-C59 WeakPolarHBondContact O-CB 3.17Å; C59-D61 VanDerWaalsContact C-N 3.31Å; C59-D61 PolarHBondContact O-N 3.18Å; C59-C62 HydrophobicContact CB-CB 3.98Å; C59-C62 WeakPolarHBondContact O-CB 3.46Å; C59-C62 PolarHBondContact O-N 2.71Å; C59-C62 VanDerWaalsContact O-N 3.12Å; C59-I63 WeakPolarHBondContact O-CG2 3.44Å; C59-I63 PolarHBondContact O-N 3.07Å
60K97.7Very high95.6Very high91 Ų9163.6 Ų63.640%0.39631%0.308SS..Hα-helixtrans-50.3-48.7-179.5178.9179.7177.3-172.30113.7K46 N47 M49 T64K46-K60 PolarHBondContact O-N 3.14Å; N47-K60 HydrophobicContact CB-CB 3.99Å; N47-K60 HydrophobicContact CB-CD 4.42Å; N47-K60 WeakPolarHBondContact O-CB 3.16Å; N47-K60 PolarHBondContact O-N 3.25Å; N47-K60 VanDerWaalsContact O-N 3.08Å; M49-K60 VanDerWaalsContact CG-CA 3.46Å; M49-K60 HydrophobicContact CG-CB 3.68Å; M49-K60 HydrophobicContact CG-CG 4.02Å; M49-K60 HydrophobicContact SD-CB 4.3Å; M49-K60 HydrophobicContact SD-CG 4.18Å; K60-T64 WeakPolarHBondContact O-CB 3.38Å; K60-T64 PolarHBondContact O-N 2.97Å; K60-T64 PolarHBondContact O-OG1 3.45Å
61D95.5Very high95.4Very high100 Ų10065 Ų6554%0.53532%0.322SS..Hα-helixtrans-71.7-35.9-177-59.8-33.7000111.7C59 R65C59-D61 VanDerWaalsContact C-N 3.31Å; C59-D61 PolarHBondContact O-N 3.18Å; D61-R65 VanDerWaalsContact O-CB 3.25Å; D61-R65 WeakPolarHBondContact O-CB 3.1Å; D61-R65 PolarHBondContact O-N 3.21Å
62C97Very high95.3Very high10 Ų1070.3 Ų70.37%0.06835%0.345CS..Hα-helixtrans-62.4-53.8177.5-70.40000111.4I40 C59 T64 R65 A66I40-C62 HydrophobicContact CB-CB 3.96Å; I40-C62 HydrophobicContact CD1-CB 3.82Å; I40-C62 HydrophobicContact CG2-CB 3.92Å; C59-C62 HydrophobicContact CB-CB 3.98Å; C59-C62 WeakPolarHBondContact O-CB 3.46Å; C59-C62 PolarHBondContact O-N 2.71Å; C59-C62 VanDerWaalsContact O-N 3.12Å; C62-T64 PolarHBondContact O-N 3.05Å; C62-R65 PolarHBondContact O-N 2.79Å; C62-A66 WeakPolarHBondContact O-CB 3.41Å; C62-A66 PolarHBondContact O-N 3.32Å
63I97.4Very high95.4Very high0 Ų067.8 Ų67.80%034%0.335CS..Hα-helixtrans-70.4-33.2-178.9-168.761.6000112.3I40 M49 F58 C59 A66 L67 P75 L81 L87I40-I63 HydrophobicContact CD1-CB 4.32Å; I40-I63 HydrophobicContact CD1-CD1 4.25Å; M49-I63 HydrophobicContact CB-CG2 3.94Å; M49-I63 HydrophobicContact CG-CG2 4.18Å; F58-I63 HydrophobicContact CB-CB 3.68Å; F58-I63 HydrophobicContact CB-CG1 4.4Å; F58-I63 HydrophobicContact CB-CG2 4.11Å; F58-I63 HydrophobicContact CD1-CD1 4.43Å; F58-I63 HydrophobicContact CD2-CB 4.2Å; F58-I63 HydrophobicContact CD2-CD1 3.87Å; F58-I63 HydrophobicContact CD2-CG1 3.97Å; F58-I63 HydrophobicContact CE2-CD1 4.11Å; F58-I63 HydrophobicContact CG-CB 4.02Å; F58-I63 HydrophobicContact CG-CD1 4.06Å; F58-I63 HydrophobicContact CG-CG1 4.23Å; F58-I63 HydrophobicContact CZ-CD1 4.48Å; C59-I63 WeakPolarHBondContact O-CG2 3.44Å; C59-I63 PolarHBondContact O-N 3.07Å; I63-A66 PolarHBondContact O-N 2.84Å; I63-L67 HydrophobicContact CD1-CG 4.35Å; I63-L67 HydrophobicContact CG1-CD1 4.33Å; I63-L67 HydrophobicContact CG1-CG 4.41Å; I63-L67 WeakPolarHBondContact O-CB 3.49Å; I63-L67 WeakPolarHBondContact O-CG 3.22Å; I63-L67 PolarHBondContact O-N 3.31Å; I63-P75 HydrophobicContact CD1-CG 3.89Å; I63-L81 HydrophobicContact CD1-CD1 4.46Å; I63-L87 HydrophobicContact CB-CD1 4.36Å; I63-L87 HydrophobicContact CG1-CD1 3.7Å; I63-L87 HydrophobicContact CG1-CD2 4.02Å; I63-L87 HydrophobicContact CG2-CD1 3.7Å
64T95.3Very high95.6Very high33 Ų3361.4 Ų61.420%0.20231%0.305CS..Hα-helixtrans-64.9-42.6175.9-59.40000111.1K60 C62 R68K60-T64 WeakPolarHBondContact O-CB 3.38Å; K60-T64 PolarHBondContact O-N 2.97Å; K60-T64 PolarHBondContact O-OG1 3.45Å; C62-T64 PolarHBondContact O-N 3.05Å; T64-R68 WeakPolarHBondContact O-CB 3.06Å; T64-R68 PolarHBondContact O-N 3.49Å; T64-R68 VanDerWaalsContact O-N 3.15Å
65R93Very high95.5Very high60 Ų6063 Ų6323%0.22632%0.315CS..Hα-helixtrans-66.8-45.6175.6-174.9-175.3-77.6115.4-23.1111.2D61 C62 L67 R68 I69 L195 T196D61-R65 VanDerWaalsContact O-CB 3.25Å; D61-R65 WeakPolarHBondContact O-CB 3.1Å; D61-R65 PolarHBondContact O-N 3.21Å; C62-R65 PolarHBondContact O-N 2.79Å; R65-L67 PolarHBondContact O-N 2.91Å; R65-R68 WeakPolarHBondContact O-CB 3.39Å; R65-R68 PolarHBondContact O-N 2.86Å; R65-I69 HydrophobicContact CG-CD1 3.7Å; R65-I69 HydrophobicContact CG-CG1 4.45Å; R65-I69 PolarHBondContact O-N 3.07Å; R65-L195 WeakPolarHBondContact CD-O 3.2Å; R65-L195 PolarHBondContact NE-O 3.44Å; R65-L195 VanDerWaalsContact NE-O 3.1Å; R65-L195 PolarHBondContact NH2-O 2.82Å; R65-T196 VanDerWaalsContact NH1-CA 3.31Å; R65-T196 PolarHBondContact NH1-O 3.04Å; R65-T196 PolarHBondContact NH2-O 2.93Å; R65-T196 VanDerWaalsContact NH2-O 3.1Å
66A94Very high95.5Very high30 Ų3061 Ų6125%0.24831%0.308CS..Hα-helixtrans-57.4-46.7178.400000112I40 C62 I63 R68 G70 P75I40-A66 HydrophobicContact CD1-CB 4.17Å; C62-A66 WeakPolarHBondContact O-CB 3.41Å; C62-A66 PolarHBondContact O-N 3.32Å; I63-A66 PolarHBondContact O-N 2.84Å; A66-R68 VanDerWaalsContact C-N 3.26Å; A66-R68 PolarHBondContact O-N 3.14Å; A66-G70 WeakPolarHBondContact O-CA 3.42Å; A66-G70 PolarHBondContact O-N 2.73Å; A66-P75 HydrophobicContact CB-CG 4.47Å
67L95.5Very high95.5Very high13 Ų1360.6 Ų60.67%0.06831%0.311CS..Hα-helixtrans-69.4-21.4175.8-68.1178.9000113.2I63 R65 K72 L81 L87I63-L67 HydrophobicContact CD1-CG 4.35Å; I63-L67 HydrophobicContact CG1-CD1 4.33Å; I63-L67 HydrophobicContact CG1-CG 4.41Å; I63-L67 WeakPolarHBondContact O-CB 3.49Å; I63-L67 WeakPolarHBondContact O-CG 3.22Å; I63-L67 PolarHBondContact O-N 3.31Å; R65-L67 PolarHBondContact O-N 2.91Å; L67-K72 PolarHBondContact O-NZ 2.67Å; L67-L81 HydrophobicContact CD1-CB 4.42Å; L67-L81 HydrophobicContact CD2-CB 3.88Å; L67-L81 HydrophobicContact CD2-CD1 4.42Å; L67-L87 HydrophobicContact CD1-CD1 3.83Å; L67-L87 HydrophobicContact CD1-CG 4.5Å
68R92.7Very high95.4Very high198 Ų19866 Ų6675%0.74733%0.332SS*.Hα-helixtrans-77.6-46177.7-177.4-178-70.4173.6-3.2111.6T64 R65 A66T64-R68 WeakPolarHBondContact O-CB 3.06Å; T64-R68 PolarHBondContact O-N 3.49Å; T64-R68 VanDerWaalsContact O-N 3.15Å; R65-R68 WeakPolarHBondContact O-CB 3.39Å; R65-R68 PolarHBondContact O-N 2.86Å; A66-R68 VanDerWaalsContact C-N 3.26Å; A66-R68 PolarHBondContact O-N 3.14Å
69I89.7Confident95.3Very high126 Ų12667.5 Ų67.565%0.64634%0.344SS*.Hα-helixtrans-94.1-35-171.6-57.8174000111.6R65R65-I69 HydrophobicContact CG-CD1 3.7Å; R65-I69 HydrophobicContact CG-CG1 4.45Å; R65-I69 PolarHBondContact O-N 3.07Å
70G89.3Confident95.3Very high39 Ų3970.1 Ų70.140%0.40237%0.367SS..SBendtrans-104.1-164-174.900000114.1A66A66-G70 WeakPolarHBondContact O-CA 3.42Å; A66-G70 PolarHBondContact O-N 2.73Å
71N93Very high95.2Very high116 Ų11665.8 Ų65.862%0.6235%0.348SS*.  trans-64.8149.9179.4-63.6-18.2000111.6E73N71-E73 HydrophobicContact CB-CG 3.77Å; N71-E73 WeakPolarHBondContact CB-OE1 3.2Å; N71-E73 PolarHBondContact ND2-OE1 2.86Å; N71-E73 PolarHBondContact O-N 3.39Å
72K96Very high95.2Very high111 Ų11165.4 Ų65.448%0.48335%0.351SS..SBendtrans-78.453.8175.6-54.3-56.5-179.3-170.90111.3L67 L81L67-K72 PolarHBondContact O-NZ 2.67Å; K72-L81 CarbonylContact O-C 3.54Å; K72-L81 PolarHBondContact O-N 3.48Å
73E97.1Very high95Very high63 Ų6367.3 Ų67.329%0.29436%0.364SS..BIsolated β-bridgetrans-136.4157.7-176.173.1-170156.600111.6N71 P75 R78 A79N71-E73 HydrophobicContact CB-CG 3.77Å; N71-E73 WeakPolarHBondContact CB-OE1 3.2Å; N71-E73 PolarHBondContact ND2-OE1 2.86Å; N71-E73 PolarHBondContact O-N 3.39Å; E73-P75 WeakPolarHBondContact O-CD 3.43Å; E73-R78 WeakPolarHBondContact OE2-CB 3.2Å; E73-A79 CarbonylContact C-O 3.48Å; E73-A79 WeakPolarHBondContact CA-O 3.49Å
74C98Very high94.8Very high0 Ų073.2 Ų73.20%039%0.39CS..  trans-67.5123.8175.3178.30000110.4T76 C77 R78 A79 L81C74-T76 PolarHBondContact O-N 3.16Å; C74-C77 PolarHBondContact O-N 3.47Å; C74-C77 VanDerWaalsContact SG-SG 3.69Å; C74-R78 VanDerWaalsContact O-CA 3.27Å; C74-R78 WeakPolarHBondContact O-CA 3.32Å; C74-R78 PolarHBondContact O-N 2.91Å; C74-A79 HydrophobicContact CB-CB 4.31Å; C74-A79 PolarHBondContact N-O 3.08Å; C74-L81 HydrophobicContact CB-CD1 3.87Å; C74-L81 HydrophobicContact CB-CG 4.21Å
75P95.9Very high94.8Very high66 Ų6681.8 Ų81.843%0.42942%0.418SS..THydrogen-bonded Turntrans-59.8-20.2178.5-27.836.8000114.8I40 F58 I63 A66 E73I40-P75 HydrophobicContact CD1-CG 4.06Å; I40-P75 HydrophobicContact CG1-CB 4.25Å; I40-P75 HydrophobicContact CG1-CG 4.23Å; F58-P75 HydrophobicContact CE1-CB 3.97Å; F58-P75 HydrophobicContact CE1-CG 4.03Å; F58-P75 HydrophobicContact CZ-CB 4.45Å; F58-P75 HydrophobicContact CZ-CG 4.35Å; I63-P75 HydrophobicContact CD1-CG 3.89Å; A66-P75 HydrophobicContact CB-CG 4.47Å; E73-P75 WeakPolarHBondContact O-CD 3.43Å
76T95.9Very high94.9Very high67 Ų6779.7 Ų79.741%0.41141%0.413SS..THydrogen-bonded Turntrans-90.7-44.5-179.1-500000113.1F58 C74F58-T76 WeakPolarHBondContact CE1-OG1 3.47Å; F58-T76 WeakPolarHBondContact CZ-OG1 3.34Å; C74-T76 PolarHBondContact O-N 3.16Å
77C97.5Very high95.1Very high58 Ų5878.8 Ų78.839%0.39240%0.404SS..THydrogen-bonded Turntrans-129.44.7-171.469.10000115C54 H56 C74 A79C54-C77 VanDerWaalsContact CB-SG 3.56Å; C54-C77 PolarHBondContact SG-SG 3.13Å; H56-C77 PolarHBondContact ND1-SG 3.31Å; H56-C77 VanDerWaalsContact ND1-SG 3.39Å; C74-C77 PolarHBondContact O-N 3.47Å; C74-C77 VanDerWaalsContact SG-SG 3.69Å; C77-A79 PolarHBondContact O-N 3.39Å
78R96.3Very high95.2Very high196 Ų19680.6 Ų80.674%0.7442%0.416SS*.  trans59.611.4-179.7-54.4-177.3-173.3175.2-0.1116E73 C74 A80E73-R78 WeakPolarHBondContact OE2-CB 3.2Å; C74-R78 VanDerWaalsContact O-CA 3.27Å; C74-R78 WeakPolarHBondContact O-CA 3.32Å; C74-R78 PolarHBondContact O-N 2.91Å; R78-A80 PolarHBondContact O-N 3.03Å
79A97.4Very high95.5Very high31 Ų3174 Ų7426%0.25640%0.404SS..  trans-56.8139.3168.800000110.3C54 E73 C74 C77 L81C54-A79 HydrophobicContact CB-CB 4.23Å; E73-A79 CarbonylContact C-O 3.48Å; E73-A79 WeakPolarHBondContact CA-O 3.49Å; C74-A79 HydrophobicContact CB-CB 4.31Å; C74-A79 PolarHBondContact N-O 3.08Å; C77-A79 PolarHBondContact O-N 3.39Å; A79-L81 PolarHBondContact O-N 3.31Å
80A96.8Very high95.9Very high65 Ų6568.3 Ų68.354%0.53737%0.374SS..BIsolated β-bridgetrans-61.5129.7-177.300000111.6R78R78-A80 PolarHBondContact O-N 3.03Å
81L96.7Very high96.3Very high0 Ų070.7 Ų70.70%038%0.383CS..  trans-125.375173.3-61.8-177.7000108.9S51 I63 L67 K72 C74 A79 S83 L87S51-L81 WeakPolarHBondContact OG-CD2 3.34Å; I63-L81 HydrophobicContact CD1-CD1 4.46Å; L67-L81 HydrophobicContact CD1-CB 4.42Å; L67-L81 HydrophobicContact CD2-CB 3.88Å; L67-L81 HydrophobicContact CD2-CD1 4.42Å; K72-L81 CarbonylContact O-C 3.54Å; K72-L81 PolarHBondContact O-N 3.48Å; C74-L81 HydrophobicContact CB-CD1 3.87Å; C74-L81 HydrophobicContact CB-CG 4.21Å; A79-L81 PolarHBondContact O-N 3.31Å; L81-S83 PolarHBondContact O-N 3.44Å; L81-S83 VanDerWaalsContact O-N 3.08Å; L81-L87 HydrophobicContact CD1-CD2 4.31Å
82P94.1Very high96.4Very high91 Ų9170.8 Ų70.859%0.59138%0.383SS*.  trans-58.4-29.4-169.4-26.634.9000114.5
83S93.6Very high96.4Very high51 Ų5167 Ų6736%0.35737%0.366SS..SBendtrans-154.7172.9179.674.10000112.3L81 R85 S86L81-S83 PolarHBondContact O-N 3.44Å; L81-S83 VanDerWaalsContact O-N 3.08Å; S83-R85 PolarHBondContact O-N 3.17Å; S83-R85 WeakPolarHBondContact OG-CB 3.18Å; S83-R85 PolarHBondContact OG-N 3.5Å; S83-S86 WeakPolarHBondContact O-CB 3.13Å; S83-S86 PolarHBondContact O-N 3.29Å; S83-S86 PolarHBondContact O-OG 3.21Å
84K92.6Very high96.3Very high123 Ų12366 Ų6654%0.53536%0.363SS..G310 helixtrans-55.4-22.6172-168.7177.5-178.8-178.90113.3S86 L87K84-S86 PolarHBondContact O-N 2.87Å; K84-L87 PolarHBondContact O-N 2.81Å; K84-L87 VanDerWaalsContact O-N 3.12Å
85R94.8Very high96.2Very high213 Ų21368.1 Ų68.180%0.80438%0.381SS*.G310 helixtrans-69.1-16.8177.5-60.5-179.6179171.10113.3K52 S83 L87K52-R85 WeakPolarHBondContact CE-O 3.25Å; K52-R85 PolarHBondContact NZ-O 2.85Å; S83-R85 PolarHBondContact O-N 3.17Å; S83-R85 WeakPolarHBondContact OG-CB 3.18Å; S83-R85 PolarHBondContact OG-N 3.5Å; R85-L87 PolarHBondContact O-N 2.92Å
86S96.5Very high96Very high16 Ų1668 Ų6811%0.11238%0.378CS..G310 helixtrans-76.4-7.4172.7-56.30000113K52 S83 K84K52-S86 WeakPolarHBondContact CG-O 3.35Å; K52-S86 PolarHBondContact N-O 2.88Å; S83-S86 WeakPolarHBondContact O-CB 3.13Å; S83-S86 PolarHBondContact O-N 3.29Å; S83-S86 PolarHBondContact O-OG 3.21Å; K84-S86 PolarHBondContact O-N 2.87Å
87L97.8Very high95.8Very high11 Ų1165.5 Ų65.56%0.05836%0.362CS..EExtended strand (participates in β ladder)trans-107.5149.6179.1-57.8170000110.9M49 R50 I63 L67 L81 K84 R85M49-L87 HydrophobicContact CE-CB 3.61Å; R50-L87 CarbonylContact O-C 3.59Å; R50-L87 WeakPolarHBondContact O-CA 3.46Å; I63-L87 HydrophobicContact CB-CD1 4.36Å; I63-L87 HydrophobicContact CG1-CD1 3.7Å; I63-L87 HydrophobicContact CG1-CD2 4.02Å; I63-L87 HydrophobicContact CG2-CD1 3.7Å; L67-L87 HydrophobicContact CD1-CD1 3.83Å; L67-L87 HydrophobicContact CD1-CG 4.5Å; L81-L87 HydrophobicContact CD1-CD2 4.31Å; K84-L87 PolarHBondContact O-N 2.81Å; K84-L87 VanDerWaalsContact O-N 3.12Å; R85-L87 PolarHBondContact O-N 2.92Å
88V98Very high95.4Very high52 Ų5269.6 Ų69.632%0.31538%0.376SS..EExtended strand (participates in β ladder)trans-131.8138175-170.70000108.7M49 R50 K52M49-V88 CarbonylContact C-O 3.59Å; M49-V88 WeakPolarHBondContact CA-O 3.42Å; R50-V88 HydrophobicContact CG-CB 4.25Å; R50-V88 PolarHBondContact N-O 3.31Å; R50-V88 PolarHBondContact O-N 3.1Å; K52-V88 HydrophobicContact CD-CG2 3.93Å; K52-V88 HydrophobicContact CG-CG2 3.54Å
89A98.3Very high95Very high60 Ų6064.8 Ų64.850%0.49637%0.368SS..EExtended strand (participates in β ladder)trans-63.8141.4170.400000110.2T48 M49 P91T48-A89 WeakPolarHBondContact O-CA 3.36Å; M49-A89 HydrophobicContact SD-CB 3.99Å; A89-P91 VanDerWaalsContact C-CD 3.43Å; A89-P91 WeakPolarHBondContact O-CD 3.38Å
90D97.8Very high94.4Very high6 Ų664.2 Ų64.23%0.03236%0.36CS..  trans-121.669-180-159.1-4.4000110.4T48 R50 R57 N92 Y93 D94T48-D90 HydrophobicContact CG2-CB 4.22Å; T48-D90 PolarHBondContact O-N 3.49Å; R50-D90 WeakPolarHBondContact CD-OD2 3.16Å; R50-D90 HydrophobicContact CG-CB 4.3Å; R50-D90 IonicContact CZ-OD2 3.89Å; R50-D90 IonicContact NH1-OD1 3.13Å; R50-D90 PolarHBondContact NH1-OD1 2.82Å; R50-D90 VanDerWaalsContact NH1-OD1 3.13Å; R50-D90 IonicContact NH1-OD2 3.02Å; R50-D90 PolarHBondContact NH1-OD2 3.2Å; R57-D90 IonicContact CZ-OD2 3.77Å; R57-D90 IonicContact NE-OD2 3.24Å; R57-D90 PolarHBondContact NE-OD2 3.01Å; R57-D90 IonicContact NH2-OD2 3.35Å; R57-D90 PolarHBondContact NH2-OD2 3.43Å; D90-N92 PolarHBondContact O-N 2.96Å; D90-Y93 WeakPolarHBondContact O-CA 3.49Å; D90-Y93 VanDerWaalsContact O-CB 3.31Å; D90-Y93 WeakPolarHBondContact O-CB 3.43Å; D90-Y93 PolarHBondContact O-N 3.3Å; D90-D94 PolarHBondContact O-N 3.5Å
91P97.5Very high93.7Very high89 Ų8963.2 Ų63.258%0.57835%0.352SS*.Hα-helixtrans-63.8-24.4-176.927-35.6000112.7A89 Y93 D94 A95A89-P91 VanDerWaalsContact C-CD 3.43Å; A89-P91 WeakPolarHBondContact O-CD 3.38Å; P91-Y93 VanDerWaalsContact C-N 3.25Å; P91-Y93 PolarHBondContact O-N 2.85Å; P91-D94 PolarHBondContact O-N 3.29Å; P91-A95 PolarHBondContact O-N 3.03Å
92N96Very high92.7Very high117 Ų11767.3 Ų67.363%0.62638%0.381SS*.Hα-helixtrans-63.5-35.8171.9-175.565.3000111.3D90 V96D90-N92 PolarHBondContact O-N 2.96Å; N92-V96 WeakPolarHBondContact O-CG2 3.16Å; N92-V96 PolarHBondContact O-N 3.34Å; N92-V96 VanDerWaalsContact O-N 3.15Å
93Y95.5Very high91.5Very high31 Ų3166.1 Ų66.112%0.12237%0.372CS..Hα-helixtrans-72.3-38.6175.7-154.2-96.8000111.7E35 L36 L45 T48 R57 D90 P91 A95 V96 I97E35-Y93 PolarHBondContact O-OH 2.89Å; L36-Y93 HydrophobicContact CD2-CE1 3.93Å; L36-Y93 WeakPolarHBondContact CD2-OH 3.48Å; L45-Y93 HydrophobicContact CD1-CD1 4.13Å; L45-Y93 HydrophobicContact CD1-CE1 3.56Å; T48-Y93 HydrophobicContact CG2-CD1 3.93Å; T48-Y93 HydrophobicContact CG2-CG 4.35Å; R57-Y93 VanDerWaalsContact NE-CD2 3.27Å; D90-Y93 WeakPolarHBondContact O-CA 3.49Å; D90-Y93 VanDerWaalsContact O-CB 3.31Å; D90-Y93 WeakPolarHBondContact O-CB 3.43Å; D90-Y93 PolarHBondContact O-N 3.3Å; P91-Y93 VanDerWaalsContact C-N 3.25Å; P91-Y93 PolarHBondContact O-N 2.85Å; Y93-A95 VanDerWaalsContact C-N 3.32Å; Y93-A95 PolarHBondContact O-N 2.98Å; Y93-V96 PolarHBondContact O-N 3.18Å; Y93-I97 HydrophobicContact CD1-CD1 3.57Å; Y93-I97 HydrophobicContact CD1-CG1 4.16Å; Y93-I97 HydrophobicContact CE1-CD1 3.82Å; Y93-I97 HydrophobicContact CE1-CG1 4.2Å; Y93-I97 WeakPolarHBondContact O-CG1 3.04Å; Y93-I97 PolarHBondContact O-N 3.49Å
94D96.1Very high90Very high42 Ų4269.5 Ų69.523%0.22538%0.382CS..Hα-helixtrans-59.5-43172.9-67-33.1000111.3N47 T48 D90 P91 V96 I97 E98N47-D94 WeakPolarHBondContact CA-OD2 3.49Å; N47-D94 PolarHBondContact N-OD1 3.23Å; T48-D94 WeakPolarHBondContact CB-OD1 3.47Å; T48-D94 PolarHBondContact N-OD1 3.02Å; T48-D94 PolarHBondContact N-OD2 2.9Å; T48-D94 VanDerWaalsContact N-OD2 3.12Å; T48-D94 PolarHBondContact OG1-OD1 3.36Å; D90-D94 PolarHBondContact O-N 3.5Å; P91-D94 PolarHBondContact O-N 3.29Å; D94-V96 PolarHBondContact O-N 3.27Å; D94-I97 WeakPolarHBondContact O-CB 3.41Å; D94-I97 PolarHBondContact O-N 3.47Å; D94-E98 PolarHBondContact O-N 3.2Å
95A94.7Very high87.8Confident46 Ų4672.6 Ų72.638%0.3840%0.399SS..Hα-helixtrans-63.1-39.2175.800000112.8P91 Y93 E98 V99P91-A95 PolarHBondContact O-N 3.03Å; Y93-A95 VanDerWaalsContact C-N 3.32Å; Y93-A95 PolarHBondContact O-N 2.98Å; A95-E98 PolarHBondContact O-N 3.09Å; A95-V99 WeakPolarHBondContact O-CG2 3.11Å; A95-V99 PolarHBondContact O-N 3.39Å; A95-V99 VanDerWaalsContact O-N 3.08Å
96V91.4Very high85.3Confident62 Ų6267 Ų6738%0.37639%0.392SS..Hα-helixtrans-63.5-42.6174.3169.80000111N92 Y93 D94 E98 V99 I100N92-V96 WeakPolarHBondContact O-CG2 3.16Å; N92-V96 PolarHBondContact O-N 3.34Å; N92-V96 VanDerWaalsContact O-N 3.15Å; Y93-V96 PolarHBondContact O-N 3.18Å; D94-V96 PolarHBondContact O-N 3.27Å; V96-E98 VanDerWaalsContact C-N 3.32Å; V96-E98 PolarHBondContact O-N 3Å; V96-V99 PolarHBondContact O-N 2.87Å; V96-I100 HydrophobicContact CG1-CD1 3.67Å; V96-I100 HydrophobicContact CG1-CG1 4.47Å; V96-I100 VanDerWaalsContact O-CG1 3.28Å; V96-I100 WeakPolarHBondContact O-CG1 3.41Å; V96-I100 PolarHBondContact O-N 3.49Å
97I91.6Very high82.8Confident16 Ų1671.2 Ų71.28%0.08241%0.413CS..Hα-helixtrans-60.5-44.2175.8-70160.4000110.6L36 V44 L45 Y93 D94 I100 A101L36-I97 HydrophobicContact CD2-CG1 3.83Å; V44-I97 HydrophobicContact CG1-CG2 3.56Å; L45-I97 HydrophobicContact CB-CD1 3.65Å; Y93-I97 HydrophobicContact CD1-CD1 3.57Å; Y93-I97 HydrophobicContact CD1-CG1 4.16Å; Y93-I97 HydrophobicContact CE1-CD1 3.82Å; Y93-I97 HydrophobicContact CE1-CG1 4.2Å; Y93-I97 WeakPolarHBondContact O-CG1 3.04Å; Y93-I97 PolarHBondContact O-N 3.49Å; D94-I97 WeakPolarHBondContact O-CB 3.41Å; D94-I97 PolarHBondContact O-N 3.47Å; I97-I100 PolarHBondContact O-N 2.96Å; I97-A101 VanDerWaalsContact O-CB 3.22Å; I97-A101 WeakPolarHBondContact O-CB 3.28Å; I97-A101 PolarHBondContact O-N 3.22Å
98E90.1Very high80.1Confident143 Ų14380 Ų8067%0.66845%0.454SS*.Hα-helixtrans-61-46.2-179.9-174172.8-164.800112.1D94 A95 V96 I100 A101 S102D94-E98 PolarHBondContact O-N 3.2Å; A95-E98 PolarHBondContact O-N 3.09Å; V96-E98 VanDerWaalsContact C-N 3.32Å; V96-E98 PolarHBondContact O-N 3Å; E98-I100 PolarHBondContact O-N 3.48Å; E98-A101 PolarHBondContact O-N 2.98Å; E98-S102 WeakPolarHBondContact O-CB 3.47Å; E98-S102 PolarHBondContact O-N 3.05Å; E98-S102 PolarHBondContact O-OG 3.2Å
99V87.3Confident77.1Confident96 Ų9685.8 Ų85.858%0.58248%0.478SS*.Hα-helixtrans-59.8-48.9175.6173.40000110.7A95 V96 A101 S102 T103A95-V99 WeakPolarHBondContact O-CG2 3.11Å; A95-V99 PolarHBondContact O-N 3.39Å; A95-V99 VanDerWaalsContact O-N 3.08Å; V96-V99 PolarHBondContact O-N 2.87Å; V99-A101 VanDerWaalsContact C-N 3.32Å; V99-A101 PolarHBondContact O-N 3.17Å; V99-S102 PolarHBondContact O-N 3.01Å; V99-S102 PolarHBondContact O-OG 3.37Å; V99-T103 PolarHBondContact O-OG1 2.79Å
100I85Confident74.4Confident18 Ų1888.3 Ų88.39%0.09249%0.489CS..Hα-helixtrans-66.1-35.1-178.9-66.1169.6000111.8P29 L36 V96 I97 E98P29-I100 HydrophobicContact CB-CG2 3.69Å; P29-I100 HydrophobicContact CG-CG2 4.29Å; L36-I100 HydrophobicContact CD1-CB 4.35Å; L36-I100 HydrophobicContact CD1-CD1 3.95Å; L36-I100 HydrophobicContact CD1-CG2 3.91Å; V96-I100 HydrophobicContact CG1-CD1 3.67Å; V96-I100 HydrophobicContact CG1-CG1 4.47Å; V96-I100 VanDerWaalsContact O-CG1 3.28Å; V96-I100 WeakPolarHBondContact O-CG1 3.41Å; V96-I100 PolarHBondContact O-N 3.49Å; I97-I100 PolarHBondContact O-N 2.96Å; E98-I100 PolarHBondContact O-N 3.48Å
101A81.4Confident71.5Confident45 Ų4595 Ų9537%0.37253%0.525SS..Hα-helixtrans-70.3-39177.500000111.8I97 E98 V99 T103 Q104I97-A101 VanDerWaalsContact O-CB 3.22Å; I97-A101 WeakPolarHBondContact O-CB 3.28Å; I97-A101 PolarHBondContact O-N 3.22Å; E98-A101 PolarHBondContact O-N 2.98Å; V99-A101 VanDerWaalsContact C-N 3.32Å; V99-A101 PolarHBondContact O-N 3.17Å; A101-T103 PolarHBondContact O-N 3.25Å; A101-Q104 WeakPolarHBondContact O-CB 3.4Å; A101-Q104 WeakPolarHBondContact O-CG 3.36Å; A101-Q104 PolarHBondContact O-N 3.25Å
102S77.4Confident68.4Low86 Ų8695 Ų9560%0.60153%0.532SS*.Hα-helixtrans-65.2-20.8-179.969.60000114.4E98 V99 Q104E98-S102 WeakPolarHBondContact O-CB 3.47Å; E98-S102 PolarHBondContact O-N 3.05Å; E98-S102 PolarHBondContact O-OG 3.2Å; V99-S102 PolarHBondContact O-N 3.01Å; V99-S102 PolarHBondContact O-OG 3.37Å; S102-Q104 VanDerWaalsContact C-N 3.3Å; S102-Q104 PolarHBondContact O-N 2.92Å
103T68.9Low65.6Low65 Ų6594 Ų9440%0.39954%0.54SS..G310 helixtrans-77.6-12.1177.2-44.20000113.2V99 A101 E105V99-T103 PolarHBondContact O-OG1 2.79Å; A101-T103 PolarHBondContact O-N 3.25Å; T103-E105 VanDerWaalsContact C-N 3.34Å; T103-E105 PolarHBondContact O-N 3.31Å
104Q60.3Low62.5Low122 Ų122101 Ų10157%0.5757%0.574SS**G310 helixtrans-73.5-15.1-168.4-65.3-179.713.400115.4P29 A101 S102 S106P29-Q104 HydrophobicContact CB-CG 4.12Å; P29-Q104 HydrophobicContact CG-CG 4.07Å; A101-Q104 WeakPolarHBondContact O-CB 3.4Å; A101-Q104 WeakPolarHBondContact O-CG 3.36Å; A101-Q104 PolarHBondContact O-N 3.25Å; S102-Q104 VanDerWaalsContact C-N 3.3Å; S102-Q104 PolarHBondContact O-N 2.92Å; Q104-S106 VanDerWaalsContact C-N 3.29Å; Q104-S106 PolarHBondContact O-N 2.9Å
105E47.7Very low59.5Low189 Ų189106.4 Ų106.488%0.88360%0.603SS**G310 helixtrans-77.8-9-174.3-63.6-173.2168.300114T103T103-E105 VanDerWaalsContact C-N 3.34Å; T103-E105 PolarHBondContact O-N 3.31Å
106S42.5Very low56.2Low94 Ų94107.7 Ų107.766%0.65762%0.62SS**SBendtrans-103.5-20.3-166.8-46.10000116.5Q104Q104-S106 VanDerWaalsContact C-N 3.29Å; Q104-S106 PolarHBondContact O-N 2.9Å
107D43.3Very low53.4Low105 Ų105113.2 Ų113.256%0.56165%0.647SS**  trans-116.866.1-167.9-63.6-34.3000113.5Q109D107-Q109 PolarHBondContact O-N 3.15Å
108E41Very low50.1Low195 Ų195118.7 Ų118.791%0.91168%0.681SS**  trans-87.357.2157.1-68.8-169.7128.300110.5
109Q34.2Very low47.2Very low175 Ų175116 Ų11682%0.81868%0.683SS**  trans-129.6122.5164-73.4-171-9.700109.8D107 D111D107-Q109 PolarHBondContact O-N 3.15Å; Q109-D111 PolarHBondContact O-N 3.43Å
110P43Very low44.3Very low113 Ų113118.2 Ų118.273%0.73470%0.697SS**  trans-75.8126.7-172.628.9-31.7000110.8A112P110-A112 VanDerWaalsContact C-N 3.29Å; P110-A112 PolarHBondContact O-N 3.39Å
111D36.2Very low41.6Very low147 Ų147120.8 Ų120.879%0.78673%0.728SS**  trans-59.495.1160.2-78.4-38.6000108.9Q109 A113Q109-D111 PolarHBondContact O-N 3.43Å; D111-A113 PolarHBondContact O-N 3.41Å
112A33.7Very low39.9Very low89 Ų89124.9 Ų124.974%0.73675%0.751SS**  trans-69.371.5159.900000108.1P110 Q114P110-A112 VanDerWaalsContact C-N 3.29Å; P110-A112 PolarHBondContact O-N 3.39Å; A112-Q114 VanDerWaalsContact C-N 3.25Å; A112-Q114 PolarHBondContact O-N 2.92Å
113A37Very low37.6Very low94 Ų94130.6 Ų130.678%0.77776%0.761SS**  trans-68.593.716700000108.1D111 N115D111-A113 PolarHBondContact O-N 3.41Å; A113-N115 PolarHBondContact O-N 3.49Å
114Q30Very low35.5Very low179 Ų179133 Ų13384%0.83678%0.779SS**  trans-37.8120.8161.4-65.8161.8-25.100110.9A112A112-Q114 VanDerWaalsContact C-N 3.25Å; A112-Q114 PolarHBondContact O-N 2.92Å
115N32.6Very low34.2Very low156 Ų156131.4 Ų131.483%0.83478%0.781SS**  trans-142.5110.7139.4-99.1-21.1000107.3A113 L117A113-N115 PolarHBondContact O-N 3.49Å; N115-L117 PolarHBondContact O-N 3.38Å
116G25.5Very low33.4Very low73 Ų73127 Ų12775%0.75378%0.777SS**  trans-64.7122.3-174.200000111.8
117L32.5Very low32.8Very low178 Ų178128.9 Ų128.993%0.93279%0.785SS**  trans-112.191150-84142.1000106N115N115-L117 PolarHBondContact O-N 3.38Å
118T22.5Very low32.2Very low131 Ų131132.3 Ų132.380%0.80480%0.799SS**  trans-63.7154.2163.338.10000110.2
119A28.5Very low31.7Very low85 Ų85128.2 Ų128.270%0.70279%0.793SS**  trans85.195.3162.100000118.5
120T27.6Very low31.5Very low143 Ų143131.5 Ų131.588%0.87780%0.798SS**  38123.9119.654.70000119.9
121G27.9Very low31.1Very low72 Ų72132 Ų13274%0.74280%0.799SS**  trans122.9124.814100000115.4
122P46.3Very low30.7Very low131 Ų131131.5 Ų131.585%0.85181%0.805SS**  trans-89.7126179.333.5-27.5000110.7
123Y27.6Very low30.6Very low206 Ų206133.9 Ų133.981%0.80881%0.805SS**  trans-151.3124.4149.2-155.1-113.8000112.7S125Y123-S125 VanDerWaalsContact CE1-OG 3.24Å; Y123-S125 WeakPolarHBondContact CE1-OG 3.45Å
124C25.8Very low30.5Very low115 Ų115134.7 Ų134.778%0.77780%0.802SS**  trans-76.4123161.5-160.50000107.6
125S32.2Very low30.8Very low89 Ų89132.5 Ų132.562%0.62281%0.806SS**  trans-167.4128.3143.7-85.90000110.8Y123 T127Y123-S125 VanDerWaalsContact CE1-OG 3.24Å; Y123-S125 WeakPolarHBondContact CE1-OG 3.45Å; S125-T127 PolarHBondContact O-N 2.82Å
126A31Very low31.3Very low96 Ų96128.7 Ų128.779%0.79380%0.804SS**  trans-54.9130.9169.700000110.8
127T30.2Very low32.1Very low135 Ų135134 Ų13483%0.82881%0.809SS**  trans-155122.8142.1-68.90000108.5S125 S129S125-T127 PolarHBondContact O-N 2.82Å; T127-S129 PolarHBondContact O-N 3.41Å
128M31Very low32.7Very low176 Ų176134.2 Ų134.287%0.86781%0.805SS**  trans-57.4124.3170-67.6-84.9107.600110.3
129S30.9Very low33.9Very low110 Ų110132 Ų13277%0.76980%0.801SS**  trans-148.3122.7153.5-89.30000110.2T127T127-S129 PolarHBondContact O-N 3.41Å
130R30Very low34.9Very low244 Ų244136.5 Ų136.592%0.92181%0.807SS**  trans-81119.7179.4-61.1173.9-141.9-158.32.4107.6
131T33.6Very low36.3Very low124 Ų124136.7 Ų136.776%0.76180%0.803SS**  trans-138.1110.81574.30000107.4L133T131-L133 PolarHBondContact O-N 3.18Å
132C27.8Very low38.8Very low135 Ų135137.4 Ų137.491%0.91279%0.787SS**  trans-61.3119175.1-60.60000109.2
133L31.7Very low40.7Very low140 Ų140135 Ų13573%0.73377%0.765SS**  trans-115.1150.2166.2-93.2129.8000109T131 S135T131-L133 PolarHBondContact O-N 3.18Å; L133-S135 PolarHBondContact O-N 2.82Å
134P34.4Very low43.6Very low111 Ų111126.2 Ų126.272%0.72173%0.732SS**  trans-75.1130.1-150.428.6-34000113.2G136P134-G136 PolarHBondContact O-N 3.45Å
135S37.9Very low46.5Very low132 Ų132123.2 Ų123.292%0.92371%0.708SS**THydrogen-bonded Turntrans-58.2108.7173.2-48.30000111.2L133L133-S135 PolarHBondContact O-N 2.82Å
136G42Very low49.4Very low76 Ų76119.1 Ų119.178%0.78468%0.679SS**THydrogen-bonded Turntrans174.3-29.2167.300000118.4P134P134-G136 PolarHBondContact O-N 3.45Å
137Q42.6Very low52.4Low186 Ų186116.9 Ų116.987%0.86965%0.65SS**SBendtrans-125.63-169.1-69-175.9-67.800116.7
138Q44.7Very low55.6Low181 Ų181110.5 Ų110.585%0.84661%0.611SS**SBendtrans-97.64.9-167.1-81.6-175.2-35.500118.1
139A48.4Very low58.7Low86 Ų86105.6 Ų105.671%0.71158%0.583SS**SBendtrans-104-15.5-175.700000115.5
140Q49.5Very low61.9Low179 Ų179101.3 Ų101.384%0.83655%0.554SS**SBendtrans-81-15.8-174.8-72.3-178.8-11.900113.7Q142Q140-Q142 PolarHBondContact O-N 2.99Å
141D56.6Low65.1Low147 Ų14790.6 Ų90.679%0.78652%0.515SS*.THydrogen-bonded Turntrans-968.6-159-138.822.2000116
142Q79.9Confident67.9Low87 Ų8788.5 Ų88.541%0.40750%0.503SS..THydrogen-bonded Turntrans-129.337.5177.7-64.5-1732.400113Q140 I144 A174Q140-Q142 PolarHBondContact O-N 2.99Å; Q142-I144 PolarHBondContact O-N 3.38Å; Q142-A174 HydrophobicContact CB-CB 4.38Å; Q142-A174 PolarHBondContact O-N 2.87Å
143M86.5Confident70.9Confident80 Ų8085 Ų8539%0.39448%0.484SS..EExtended strand (participates in β ladder)trans-70.8126.9170.3-69.3-65-89.600109.7R171 T172 C173M143-R171 HydrophobicContact CE-CG 3.94Å; M143-R171 VanDerWaalsContact CE-CZ 3.43Å; M143-T172 WeakPolarHBondContact CA-O 3.46Å; M143-C173 HydrophobicContact SD-CB 4.08Å
144I88.5Confident73.9Confident21 Ų2179.1 Ų79.111%0.10845%0.453CS..EExtended strand (participates in β ladder)trans-125161.8177.360.2164.5000110.4Q142 F146 R171 T172 A174 I238 L254Q142-I144 PolarHBondContact O-N 3.38Å; I144-F146 HydrophobicContact CD1-CD1 4.24Å; I144-R171 WeakPolarHBondContact O-CA 3.44Å; I144-T172 HydrophobicContact CG1-CG2 4.4Å; I144-T172 WeakPolarHBondContact CG1-O 3.31Å; I144-T172 PolarHBondContact N-O 3.47Å; I144-T172 PolarHBondContact O-N 3.07Å; I144-A174 HydrophobicContact CB-CB 4.44Å; I144-A174 HydrophobicContact CD1-CB 3.64Å; I144-A174 HydrophobicContact CG1-CB 3.82Å; I144-A174 HydrophobicContact CG2-CB 3.8Å; I144-I238 HydrophobicContact CD1-CB 3.59Å; I144-I238 HydrophobicContact CD1-CG1 4.01Å; I144-I238 HydrophobicContact CD1-CG2 3.2Å; I144-L254 HydrophobicContact CD1-CD1 4.35Å
145L87.9Confident76.6Confident53 Ų5378.9 Ų78.928%0.27745%0.454SS..EExtended strand (participates in β ladder)trans-122.4140.5173.8-60.3127.4000108.9F169 V170 R171L145-F169 HydrophobicContact CB-CE1 4.41Å; L145-F169 HydrophobicContact CB-CE2 3.8Å; L145-F169 HydrophobicContact CB-CZ 3.59Å; L145-F169 HydrophobicContact CD1-CZ 4.38Å; L145-F169 HydrophobicContact CD2-CD1 4.23Å; L145-F169 HydrophobicContact CD2-CE1 3.31Å; L145-F169 HydrophobicContact CD2-CE2 4.26Å; L145-F169 HydrophobicContact CD2-CZ 3.34Å; L145-F169 HydrophobicContact CG-CE1 4.37Å; L145-F169 HydrophobicContact CG-CZ 3.92Å; L145-V170 WeakPolarHBondContact CA-O 3.46Å; L145-R171 HydrophobicContact CD2-CB 3.71Å; L145-R171 HydrophobicContact CD2-CG 3.9Å; L145-R171 HydrophobicContact CG-CB 4.42Å; L145-R171 HydrophobicContact CG-CG 4.28Å
146F92.6Very high79.2Confident2 Ų273.7 Ų73.71%0.00942%0.416CS..EExtended strand (participates in β ladder)trans-146.3159.2174.360-105.2000111.4I144 L148 V170 T172 I182 I238 L254 F256I144-F146 HydrophobicContact CD1-CD1 4.24Å; F146-L148 HydrophobicContact CD2-CD2 3.82Å; F146-L148 HydrophobicContact CD2-CG 4.09Å; F146-L148 HydrophobicContact CE2-CD1 4.2Å; F146-L148 HydrophobicContact CE2-CD2 3.54Å; F146-L148 HydrophobicContact CE2-CG 3.78Å; F146-V170 HydrophobicContact CD2-CB 4.15Å; F146-V170 HydrophobicContact CE1-CG1 4.45Å; F146-V170 HydrophobicContact CE2-CB 3.66Å; F146-V170 HydrophobicContact CE2-CG1 4.07Å; F146-V170 HydrophobicContact CE2-CG2 4.08Å; F146-V170 HydrophobicContact CZ-CB 3.91Å; F146-V170 HydrophobicContact CZ-CG1 3.82Å; F146-V170 PolarHBondContact N-O 2.78Å; F146-V170 VanDerWaalsContact N-O 3.07Å; F146-V170 PolarHBondContact O-N 3.38Å; F146-T172 HydrophobicContact CD1-CG2 4.34Å; F146-T172 HydrophobicContact CE1-CG2 3.48Å; F146-T172 VanDerWaalsContact CE1-CG2 3.48Å; F146-T172 HydrophobicContact CZ-CG2 4.19Å; F146-I182 HydrophobicContact CZ-CD1 4.36Å; F146-I182 HydrophobicContact CZ-CG1 4.24Å; F146-I238 HydrophobicContact CE1-CD1 4.07Å; F146-I238 HydrophobicContact CE1-CG1 4.08Å; F146-L254 VanDerWaalsContact CA-O 3.3Å; F146-L254 WeakPolarHBondContact CA-O 3.45Å; F146-L254 HydrophobicContact CB-CB 3.76Å; F146-L254 VanDerWaalsContact CB-O 3.31Å; F146-L254 WeakPolarHBondContact CB-O 3.43Å; F146-F256 HydrophobicContact CB-CD2 4.09Å; F146-F256 HydrophobicContact CB-CE2 3.95Å; F146-F256 HydrophobicContact CD1-CE2 4.13Å; F146-F256 AromaticContact CD2-CD2 3.66Å; F146-F256 HydrophobicContact CD2-CD2 3.66Å; F146-F256 AromaticContact CD2-CE2 4Å; F146-F256 HydrophobicContact CD2-CE2 4Å; F146-F256 HydrophobicContact CE2-CD2 4.23Å; F146-F256 AromaticContact CG-CD2 3.89Å; F146-F256 HydrophobicContact CG-CD2 3.89Å; F146-F256 AromaticContact CG-CE2 3.78Å; F146-F256 HydrophobicContact CG-CE2 3.78Å
147Y94Very high81.6Confident50 Ų5072.3 Ų72.320%0.19639%0.393CS..EExtended strand (participates in β ladder)trans-96.2138.7176.6-60.5-84.8000110.5E167 H168 F169 P253 L254 Q255 F256Y147-E167 WeakPolarHBondContact CD1-OE1 3.19Å; Y147-H168 WeakPolarHBondContact CA-O 3.32Å; Y147-F169 AromaticContact CD1-CD2 3.67Å; Y147-F169 HydrophobicContact CD1-CD2 3.67Å; Y147-F169 HydrophobicContact CD1-CE2 4.38Å; Y147-F169 AromaticContact CE1-CD2 3.37Å; Y147-F169 HydrophobicContact CE1-CD2 3.37Å; Y147-F169 AromaticContact CE1-CE2 3.8Å; Y147-F169 HydrophobicContact CE1-CE2 3.8Å; Y147-F169 HydrophobicContact CE1-CG 4.28Å; Y147-F169 HydrophobicContact CE2-CD2 4.39Å; Y147-F169 HydrophobicContact CE2-CE2 4.18Å; Y147-F169 HydrophobicContact CG-CD2 4.3Å; Y147-F169 AromaticContact CZ-CD2 3.78Å; Y147-F169 AromaticContact CZ-CE2 3.69Å; Y147-P253 HydrophobicContact CD2-CB 4.34Å; Y147-P253 HydrophobicContact CE2-CB 3.91Å; Y147-P253 HydrophobicContact CE2-CG 4.15Å; Y147-L254 PolarHBondContact N-O 3.34Å; Y147-Q255 HydrophobicContact CD2-CG 4.17Å; Y147-F256 PolarHBondContact O-N 3.35Å
148L96.9Very high84Confident1 Ų170.8 Ų70.81%0.00539%0.39CS..EExtended strand (participates in β ladder)trans-111.8119.7166.8-60.4-178.1000108.4F146 E167 H168 V170 I182 Y185 L186 F256 Y258F146-L148 HydrophobicContact CD2-CD2 3.82Å; F146-L148 HydrophobicContact CD2-CG 4.09Å; F146-L148 HydrophobicContact CE2-CD1 4.2Å; F146-L148 HydrophobicContact CE2-CD2 3.54Å; F146-L148 HydrophobicContact CE2-CG 3.78Å; L148-E167 WeakPolarHBondContact O-CA 3.34Å; L148-H168 HydrophobicContact CB-CB 4.19Å; L148-H168 PolarHBondContact N-O 3.07Å; L148-H168 PolarHBondContact O-N 2.84Å; L148-V170 HydrophobicContact CD1-CG2 3.81Å; L148-V170 HydrophobicContact CG-CG2 4.11Å; L148-I182 HydrophobicContact CD1-CG2 4Å; L148-I182 HydrophobicContact CD2-CG2 3.84Å; L148-Y185 HydrophobicContact CD1-CD1 3.87Å; L148-Y185 HydrophobicContact CD1-CE1 3.87Å; L148-L186 HydrophobicContact CD1-CD1 4.43Å; L148-L186 HydrophobicContact CD1-CD2 3.86Å; L148-L186 HydrophobicContact CD1-CG 4.06Å; L148-F256 CarbonylContact C-O 3.56Å; L148-F256 WeakPolarHBondContact CA-O 3.31Å; L148-F256 HydrophobicContact CD2-CB 3.7Å; L148-F256 HydrophobicContact CD2-CD2 4.29Å; L148-F256 HydrophobicContact CD2-CG 4.37Å; L148-Y258 HydrophobicContact CB-CD1 4.16Å; L148-Y258 HydrophobicContact CB-CE1 4.29Å
149R97.1Very high86.2Confident72 Ų7266.1 Ų66.127%0.27237%0.371SS..EExtended strand (participates in β ladder)trans-121.6148-179-65.3-179.5179-172.3-5.3111H151 E167 F256 Y257 Y258R149-H151 PolarHBondContact O-N 3.04Å; R149-E167 HydrophobicContact CG-CG 4.01Å; R149-E167 IonicContact CZ-OE1 2.85Å; R149-E167 VanDerWaalsContact CZ-OE1 3.25Å; R149-E167 IonicContact CZ-OE2 3.99Å; R149-E167 IonicContact NE-OE1 3.58Å; R149-E167 PolarHBondContact NE-OE1 3.14Å; R149-E167 IonicContact NE-OE2 2.87Å; R149-E167 IonicContact NH2-OE1 3.44Å; R149-E167 PolarHBondContact NH2-OE1 3.22Å; R149-E167 IonicContact NH2-OE2 3.42Å; R149-F256 PolarHBondContact N-O 3.02Å; R149-Y257 HydrophobicContact CB-CD1 3.83Å; R149-Y257 HydrophobicContact CB-CE1 3.72Å; R149-Y257 HydrophobicContact CB-CG 4.44Å; R149-Y257 CarbonylContact O-C 3.54Å; R149-Y257 WeakPolarHBondContact O-CA 3.41Å; R149-Y258 WeakPolarHBondContact O-CD1 3.46Å; R149-Y258 WeakPolarHBondContact O-CE1 3.37Å; R149-Y258 PolarHBondContact O-N 3.05Å
150A97.3Very high88.4Confident21 Ų2162.4 Ų62.417%0.17434%0.339CS..EExtended strand (participates in β ladder)trans-64.6136.8170.100000109.8L165 Y257 Y258A150-L165 HydrophobicContact CB-CB 3.91Å; A150-L165 HydrophobicContact CB-CD2 3.81Å; A150-L165 HydrophobicContact CB-CG 4.43Å; A150-Y257 WeakPolarHBondContact O-CD1 3.41Å; A150-Y258 HydrophobicContact CB-CE2 3.98Å
151H96.1Very high90.6Very high19 Ų1954.9 Ų54.99%0.08831%0.308CS..  trans-59.1137.6173.4-173.7-85.4000110.6R149 A153 M154 L227 Y258 F259R149-H151 PolarHBondContact O-N 3.04Å; H151-A153 WeakPolarHBondContact ND1-CB 3.37Å; H151-A153 PolarHBondContact ND1-N 3.38Å; H151-A153 VanDerWaalsContact ND1-N 3.14Å; H151-A153 PolarHBondContact O-N 3.48Å; H151-A153 VanDerWaalsContact O-N 3.07Å; H151-M154 VanDerWaalsContact O-CB 3.25Å; H151-M154 WeakPolarHBondContact O-CB 3.46Å; H151-M154 PolarHBondContact O-N 3.46Å; H151-L227 VanDerWaalsContact CD2-CD1 3.46Å; H151-L227 WeakPolarHBondContact CD2-CD1 3.11Å; H151-Y258 WeakPolarHBondContact CB-O 3.41Å; H151-Y258 PolarHBondContact N-O 3.45Å; H151-F259 HydrophobicContact CB-CB 4.24Å; H151-F259 HydrophobicContact CB-CD2 3.87Å
152P93.1Very high92.4Very high79 Ų7952.4 Ų52.451%0.51330%0.3SS..THydrogen-bonded Turntrans-58.3-27.2-175.1-27.134.8000115.4M154P152-M154 VanDerWaalsContact C-N 3.28Å
153A92Very high93.1Very high61 Ų6148.8 Ų48.850%0.50428%0.283SS..THydrogen-bonded Turntrans-80.2-4.8176.200000114H151 S155H151-A153 WeakPolarHBondContact ND1-CB 3.37Å; H151-A153 PolarHBondContact ND1-N 3.38Å; H151-A153 VanDerWaalsContact ND1-N 3.14Å; H151-A153 PolarHBondContact O-N 3.48Å; H151-A153 VanDerWaalsContact O-N 3.07Å; A153-S155 PolarHBondContact O-N 3.05Å
154M93.1Very high93.6Very high18 Ų1845 Ų459%0.08927%0.265CS..  trans-76.8125.9177.9-166.1-179-50.100109.7H151 P152 L156 L165 Y258 F259 Y260H151-M154 VanDerWaalsContact O-CB 3.25Å; H151-M154 WeakPolarHBondContact O-CB 3.46Å; H151-M154 PolarHBondContact O-N 3.46Å; P152-M154 VanDerWaalsContact C-N 3.28Å; M154-L156 HydrophobicContact SD-CD1 4.37Å; M154-L165 HydrophobicContact CB-CD2 4.09Å; M154-L165 HydrophobicContact CG-CD2 3.63Å; M154-L165 HydrophobicContact SD-CD2 3.18Å; M154-L165 WeakPolarHBondContact SD-CD2 3.26Å; M154-Y258 HydrophobicContact CE-CD2 3.92Å; M154-Y258 HydrophobicContact CE-CE2 4.18Å; M154-Y258 WeakPolarHBondContact CE-O 3.39Å; M154-F259 HydrophobicContact CB-CD2 4.36Å; M154-F259 HydrophobicContact CB-CE2 4.29Å; M154-F259 HydrophobicContact CE-CB 4.35Å; M154-F259 HydrophobicContact CE-CD2 4.32Å; M154-F259 HydrophobicContact CE-CG 4.38Å; M154-Y260 HydrophobicContact CE-CD2 4.09Å; M154-Y260 HydrophobicContact CE-CG 4.14Å; M154-Y260 HydrophobicContact SD-CD2 3.54Å; M154-Y260 VanDerWaalsContact SD-CD2 3.54Å; M154-Y260 HydrophobicContact SD-CE2 4.14Å; M154-Y260 HydrophobicContact SD-CG 4.1Å
155S91.5Very high93.9Very high105 Ų10546.5 Ų46.573%0.73427%0.273SS*.  trans-123140169.359.90000109A153A153-S155 PolarHBondContact O-N 3.05Å
156L92.8Very high94.2Very high24 Ų2447 Ų4713%0.12627%0.273CS..  trans-134156.7176.3-74.6176.1000108.7M154 L160 A161 L164 L165M154-L156 HydrophobicContact SD-CD1 4.37Å; L156-L160 HydrophobicContact CB-CB 4.47Å; L156-A161 HydrophobicContact CB-CB 4.18Å; L156-L164 HydrophobicContact CD1-CB 3.44Å; L156-L164 VanDerWaalsContact CD1-CB 3.44Å; L156-L164 HydrophobicContact CD1-CD1 3.89Å; L156-L164 HydrophobicContact CD1-CG 4.3Å; L156-L165 HydrophobicContact CD1-CD2 3.7Å; L156-L165 HydrophobicContact CD1-CG 4.09Å; L156-L165 HydrophobicContact CG-CD2 4.15Å
157P92.3Very high94.2Very high47 Ų4751 Ų5131%0.30529%0.291SS..  trans-54.3148.3173-24.834.4000112N159 L160 A161P157-N159 WeakPolarHBondContact CB-OD1 3.31Å; P157-N159 PolarHBondContact O-N 2.79Å; P157-L160 HydrophobicContact CG-CD1 4.47Å; P157-L160 PolarHBondContact O-N 2.88Å; P157-A161 PolarHBondContact O-N 2.84Å
158D92.9Very high94.1Very high153 Ų15348.9 Ų48.982%0.81828%0.283SS*.THydrogen-bonded Turntrans-56-30.3-172.5-64.5-33.4000114.2L160 P162D158-L160 VanDerWaalsContact C-N 3.33Å; D158-P162 WeakPolarHBondContact O-CD 3.5Å
159N91.4Very high93.8Very high84 Ų8452 Ų5245%0.44930%0.297SS..THydrogen-bonded Turntrans-75.1-21177.368.9-62.1000113.4P157 T202P157-N159 WeakPolarHBondContact CB-OD1 3.31Å; P157-N159 PolarHBondContact O-N 2.79Å; N159-T202 PolarHBondContact ND2-OG1 3.35Å
160L95.1Very high93.5Very high7 Ų749.5 Ų49.54%0.03729%0.289CS..THydrogen-bonded Turntrans-105.5-35.4-177.4-59-175.9000112.7L156 P157 D158 I163 L164 L194 T202 I209 R213L156-L160 HydrophobicContact CB-CB 4.47Å; P157-L160 HydrophobicContact CG-CD1 4.47Å; P157-L160 PolarHBondContact O-N 2.88Å; D158-L160 VanDerWaalsContact C-N 3.33Å; L160-I163 WeakPolarHBondContact O-CA 3.43Å; L160-I163 WeakPolarHBondContact O-CB 3.16Å; L160-I163 PolarHBondContact O-N 3.27Å; L160-L164 HydrophobicContact CB-CD1 4.29Å; L160-L164 PolarHBondContact O-N 3.21Å; L160-L194 HydrophobicContact CD2-CD2 3.74Å; L160-T202 HydrophobicContact CD2-CG2 3.82Å; L160-I209 HydrophobicContact CD1-CG2 3.91Å; L160-I209 HydrophobicContact CD2-CD1 4.44Å; L160-I209 HydrophobicContact CD2-CG2 4.34Å; L160-R213 HydrophobicContact CD1-CG 4.47Å
161A95.3Very high93Very high21 Ų2155.7 Ų55.717%0.17431%0.308CS..Hα-helixtrans-47.8-50.3-17900000114.3L156 P157 I163 L165L156-A161 HydrophobicContact CB-CB 4.18Å; P157-A161 PolarHBondContact O-N 2.84Å; A161-I163 PolarHBondContact O-N 3.43Å; A161-I163 VanDerWaalsContact O-N 3.14Å; A161-L165 HydrophobicContact CB-CD1 3.94Å; A161-L165 HydrophobicContact CB-CG 4.38Å; A161-L165 VanDerWaalsContact O-CB 3.26Å; A161-L165 WeakPolarHBondContact O-CB 3.43Å; A161-L165 WeakPolarHBondContact O-CG 3.36Å; A161-L165 PolarHBondContact O-N 2.87Å
162P94.8Very high92.8Very high95 Ų9556.2 Ų56.262%0.61731%0.313SS*.Hα-helixtrans-67.3-15.7-179.626.7-35.6000113.9D158D158-P162 WeakPolarHBondContact O-CD 3.5Å
163I94.8Very high92.6Very high12 Ų1253.5 Ų53.56%0.06230%0.295CS..Hα-helixtrans-93.2-52.6179.3-56.5173.5000109.5L160 A161 K166 E193 L194 K197L160-I163 WeakPolarHBondContact O-CA 3.43Å; L160-I163 WeakPolarHBondContact O-CB 3.16Å; L160-I163 PolarHBondContact O-N 3.27Å; A161-I163 PolarHBondContact O-N 3.43Å; A161-I163 VanDerWaalsContact O-N 3.14Å; I163-K166 WeakPolarHBondContact O-CB 3.5Å; I163-E193 HydrophobicContact CG2-CB 3.62Å; I163-L194 HydrophobicContact CD1-CD2 4.41Å; I163-L194 HydrophobicContact CG2-CD2 4.11Å; I163-L194 HydrophobicContact CG2-CG 4.44Å; I163-K197 HydrophobicContact CD1-CB 4.49Å; I163-K197 HydrophobicContact CG1-CB 4.4Å
164L95.5Very high92.6Very high1 Ų150.7 Ų50.71%0.00527%0.272CS..Hα-helixtrans-91.2-20.6-168.3-70.4-175.6000114.6L156 L160 K166 L194 Y258 Y260L156-L164 HydrophobicContact CD1-CB 3.44Å; L156-L164 VanDerWaalsContact CD1-CB 3.44Å; L156-L164 HydrophobicContact CD1-CD1 3.89Å; L156-L164 HydrophobicContact CD1-CG 4.3Å; L160-L164 HydrophobicContact CB-CD1 4.29Å; L160-L164 PolarHBondContact O-N 3.21Å; L164-K166 VanDerWaalsContact C-N 3.27Å; L164-L194 HydrophobicContact CD1-CD1 4.43Å; L164-L194 HydrophobicContact CD1-CD2 4.22Å; L164-L194 HydrophobicContact CD2-CD1 4.17Å; L164-L194 HydrophobicContact CD2-CD2 4.18Å; L164-L194 HydrophobicContact CD2-CG 3.98Å; L164-L194 HydrophobicContact CG-CD2 4.07Å; L164-L194 HydrophobicContact CG-CG 4.41Å; L164-Y258 PolarHBondContact O-OH 2.54Å; L164-Y260 HydrophobicContact CB-CE2 4.15Å
165L95.6Very high92.6Very high52 Ų5252.6 Ų52.627%0.27229%0.287SS..THydrogen-bonded Turntrans-91.910.6174.6-53.1-177.3000112.5A150 M154 L156 A161 Y258A150-L165 HydrophobicContact CB-CB 3.91Å; A150-L165 HydrophobicContact CB-CD2 3.81Å; A150-L165 HydrophobicContact CB-CG 4.43Å; M154-L165 HydrophobicContact CB-CD2 4.09Å; M154-L165 HydrophobicContact CG-CD2 3.63Å; M154-L165 HydrophobicContact SD-CD2 3.18Å; M154-L165 WeakPolarHBondContact SD-CD2 3.26Å; L156-L165 HydrophobicContact CD1-CD2 3.7Å; L156-L165 HydrophobicContact CD1-CG 4.09Å; L156-L165 HydrophobicContact CG-CD2 4.15Å; A161-L165 HydrophobicContact CB-CD1 3.94Å; A161-L165 HydrophobicContact CB-CG 4.38Å; A161-L165 VanDerWaalsContact O-CB 3.26Å; A161-L165 WeakPolarHBondContact O-CB 3.43Å; A161-L165 WeakPolarHBondContact O-CG 3.36Å; A161-L165 PolarHBondContact O-N 2.87Å; L165-Y258 VanDerWaalsContact C-OH 3.31Å
166K93.2Very high92.7Very high64 Ų6450.9 Ų50.928%0.27828%0.275SS..  trans-65.4139.8-175.4-169-174.1175.6-167.30110.9D43 I163 L164 Y258D43-K166 IonicContact OD1-NZ 3.98Å; D43-K166 PolarHBondContact OD1-NZ 2.96Å; D43-K166 IonicContact OD2-NZ 3.65Å; D43-K166 PolarHBondContact OD2-NZ 2.95Å; I163-K166 WeakPolarHBondContact O-CB 3.5Å; L164-K166 VanDerWaalsContact C-N 3.27Å; K166-Y258 PolarHBondContact O-OH 2.95Å
167E94.2Very high92.8Very high85 Ų8550.4 Ų50.440%0.39727%0.273SS..  trans-70.8136.7168.6179.7166.7-166.200111.1Y147 L148 R149Y147-E167 WeakPolarHBondContact CD1-OE1 3.19Å; L148-E167 WeakPolarHBondContact O-CA 3.34Å; R149-E167 HydrophobicContact CG-CG 4.01Å; R149-E167 IonicContact CZ-OE1 2.85Å; R149-E167 VanDerWaalsContact CZ-OE1 3.25Å; R149-E167 IonicContact CZ-OE2 3.99Å; R149-E167 IonicContact NE-OE1 3.58Å; R149-E167 PolarHBondContact NE-OE1 3.14Å; R149-E167 IonicContact NE-OE2 2.87Å; R149-E167 IonicContact NH2-OE1 3.44Å; R149-E167 PolarHBondContact NH2-OE1 3.22Å; R149-E167 IonicContact NH2-OE2 3.42Å
168H92.3Very high93Very high5 Ų549.3 Ų49.32%0.02327%0.266CS..EExtended strand (participates in β ladder)trans-117.7142.3173.3-50.7-65.8000111Y147 L148 V170 E193Y147-H168 WeakPolarHBondContact CA-O 3.32Å; L148-H168 HydrophobicContact CB-CB 4.19Å; L148-H168 PolarHBondContact N-O 3.07Å; L148-H168 PolarHBondContact O-N 2.84Å; H168-V170 HydrophobicContact CB-CG2 4.31Å; H168-E193 IonicContact CE1-OE1 2.88Å; H168-E193 PolarHBondContact CE1-OE1 3.35Å; H168-E193 IonicContact CE1-OE2 3.53Å; H168-E193 PolarHBondContact CE1-OE2 2.63Å; H168-E193 IonicContact NE2-OE2 2.76Å
169F89.7Confident93.2Very high68 Ų6842 Ų4230%0.29823%0.227SC..EExtended strand (participates in β ladder)trans-111.4116.1171.5-175.7-117.3000108.8R30 L145 Y147R30-F169 HydrophobicContact CG-CE1 4.27Å; R30-F169 HydrophobicContact CG-CZ 4.48Å; L145-F169 HydrophobicContact CB-CE1 4.41Å; L145-F169 HydrophobicContact CB-CE2 3.8Å; L145-F169 HydrophobicContact CB-CZ 3.59Å; L145-F169 HydrophobicContact CD1-CZ 4.38Å; L145-F169 HydrophobicContact CD2-CD1 4.23Å; L145-F169 HydrophobicContact CD2-CE1 3.31Å; L145-F169 HydrophobicContact CD2-CE2 4.26Å; L145-F169 HydrophobicContact CD2-CZ 3.34Å; L145-F169 HydrophobicContact CG-CE1 4.37Å; L145-F169 HydrophobicContact CG-CZ 3.92Å; Y147-F169 AromaticContact CD1-CD2 3.67Å; Y147-F169 HydrophobicContact CD1-CD2 3.67Å; Y147-F169 HydrophobicContact CD1-CE2 4.38Å; Y147-F169 AromaticContact CE1-CD2 3.37Å; Y147-F169 HydrophobicContact CE1-CD2 3.37Å; Y147-F169 AromaticContact CE1-CE2 3.8Å; Y147-F169 HydrophobicContact CE1-CE2 3.8Å; Y147-F169 HydrophobicContact CE1-CG 4.28Å; Y147-F169 HydrophobicContact CE2-CD2 4.39Å; Y147-F169 HydrophobicContact CE2-CE2 4.18Å; Y147-F169 HydrophobicContact CG-CD2 4.3Å; Y147-F169 AromaticContact CZ-CD2 3.78Å; Y147-F169 AromaticContact CZ-CE2 3.69Å
170V90.7Very high93.4Very high18 Ų1839.9 Ų39.911%0.10922%0.221CC..EExtended strand (participates in β ladder)trans-115.9129.2-169-177.40000109.9L145 F146 L148 H168 Y185L145-V170 WeakPolarHBondContact CA-O 3.46Å; F146-V170 HydrophobicContact CD2-CB 4.15Å; F146-V170 HydrophobicContact CE1-CG1 4.45Å; F146-V170 HydrophobicContact CE2-CB 3.66Å; F146-V170 HydrophobicContact CE2-CG1 4.07Å; F146-V170 HydrophobicContact CE2-CG2 4.08Å; F146-V170 HydrophobicContact CZ-CB 3.91Å; F146-V170 HydrophobicContact CZ-CG1 3.82Å; F146-V170 PolarHBondContact N-O 2.78Å; F146-V170 VanDerWaalsContact N-O 3.07Å; F146-V170 PolarHBondContact O-N 3.38Å; L148-V170 HydrophobicContact CD1-CG2 3.81Å; L148-V170 HydrophobicContact CG-CG2 4.11Å; H168-V170 HydrophobicContact CB-CG2 4.31Å; V170-Y185 HydrophobicContact CG2-CD1 4.41Å; V170-Y185 HydrophobicContact CG2-CE1 3.72Å
171R87.4Confident93.5Very high152 Ų15244.4 Ų44.457%0.57424%0.242SC*.EExtended strand (participates in β ladder)trans-104.6127.6171.2-172.9-179.2-178.4-121.50.8109.6M143 I144 L145M143-R171 HydrophobicContact CE-CG 3.94Å; M143-R171 VanDerWaalsContact CE-CZ 3.43Å; I144-R171 WeakPolarHBondContact O-CA 3.44Å; L145-R171 HydrophobicContact CD2-CB 3.71Å; L145-R171 HydrophobicContact CD2-CG 3.9Å; L145-R171 HydrophobicContact CG-CB 4.42Å; L145-R171 HydrophobicContact CG-CG 4.28Å
172T90.5Very high93.6Very high30 Ų3043.6 Ų43.618%0.18424%0.235CC..EExtended strand (participates in β ladder)trans-158.4169.1-179.4-170.60000111.8M143 I144 F146 C177M143-T172 WeakPolarHBondContact CA-O 3.46Å; I144-T172 HydrophobicContact CG1-CG2 4.4Å; I144-T172 WeakPolarHBondContact CG1-O 3.31Å; I144-T172 PolarHBondContact N-O 3.47Å; I144-T172 PolarHBondContact O-N 3.07Å; F146-T172 HydrophobicContact CD1-CG2 4.34Å; F146-T172 HydrophobicContact CE1-CG2 3.48Å; F146-T172 VanDerWaalsContact CE1-CG2 3.48Å; F146-T172 HydrophobicContact CZ-CG2 4.19Å; T172-C177 HydrophobicContact CG2-CB 3.57Å; T172-C177 WeakPolarHBondContact OG1-CB 3.46Å
173C90.7Very high93.7Very high22 Ų2240.8 Ų40.815%0.14921%0.212CC..EExtended strand (participates in β ladder)trans-78.3128.9170.1179.60000111M143 S175 S176 C177M143-C173 HydrophobicContact SD-CB 4.08Å; C173-S175 VanDerWaalsContact C-N 3.3Å; C173-S175 PolarHBondContact O-N 3.5Å; C173-S175 PolarHBondContact SG-OG 3.46Å; C173-S176 WeakPolarHBondContact CB-OG 3.3Å; C173-S176 PolarHBondContact O-N 2.96Å; C173-C177 WeakPolarHBondContact O-CB 3.49Å; C173-C177 PolarHBondContact O-N 2.79Å; C173-C177 VanDerWaalsContact O-N 3.09Å
174A90.5Very high93.7Very high2 Ų247.7 Ų47.72%0.01724%0.241CC..THydrogen-bonded Turntrans-66.2-29.7-175.600000113.5Q142 I144 I238 L239Q142-A174 HydrophobicContact CB-CB 4.38Å; Q142-A174 PolarHBondContact O-N 2.87Å; I144-A174 HydrophobicContact CB-CB 4.44Å; I144-A174 HydrophobicContact CD1-CB 3.64Å; I144-A174 HydrophobicContact CG1-CB 3.82Å; I144-A174 HydrophobicContact CG2-CB 3.8Å; A174-I238 PolarHBondContact O-N 3.46Å; A174-L239 HydrophobicContact CB-CB 4.17Å; A174-L239 PolarHBondContact O-N 3.11Å
175S93Very high93.8Very high57 Ų5750.3 Ų50.340%0.39925%0.252SS..THydrogen-bonded Turntrans-87.3-18.4-176.658.60000113.8C173 N237C173-S175 VanDerWaalsContact C-N 3.3Å; C173-S175 PolarHBondContact O-N 3.5Å; C173-S175 PolarHBondContact SG-OG 3.46Å; S175-N237 PolarHBondContact O-ND2 3.48Å
176S93.5Very high93.8Very high70 Ų7047.9 Ų47.949%0.4924%0.239SC..THydrogen-bonded Turntrans-111-22.5-178.967.70000114.8C173 T178 H181C173-S176 WeakPolarHBondContact CB-OG 3.3Å; C173-S176 PolarHBondContact O-N 2.96Å; S176-T178 PolarHBondContact O-N 3.26Å; S176-H181 PolarHBondContact O-ND1 3.42Å
177C95.5Very high94Very high13 Ų1348.2 Ų48.29%0.08824%0.243CC..  trans-81.9119.2177.1-173.20000111.1T172 C173 N237 I238T172-C177 HydrophobicContact CG2-CB 3.57Å; T172-C177 WeakPolarHBondContact OG1-CB 3.46Å; C173-C177 WeakPolarHBondContact O-CB 3.49Å; C173-C177 PolarHBondContact O-N 2.79Å; C173-C177 VanDerWaalsContact O-N 3.09Å; C177-N237 CarbonylContact O-C 3.59Å; C177-N237 WeakPolarHBondContact O-CA 3.22Å; C177-N237 WeakPolarHBondContact O-CB 3.48Å; C177-I238 HydrophobicContact CB-CG1 4.17Å; C177-I238 PolarHBondContact O-N 2.73Å
178T96.8Very high94Very high24 Ų2448.1 Ų48.115%0.14724%0.244CC..BIsolated β-bridgetrans-105.8165.6-179.864.80000111.6S176 A180 H181 I182 D234 M236 N237S176-T178 PolarHBondContact O-N 3.26Å; T178-A180 PolarHBondContact O-N 2.65Å; T178-H181 PolarHBondContact N-ND1 2.85Å; T178-H181 WeakPolarHBondContact O-CA 3.06Å; T178-H181 WeakPolarHBondContact O-CB 3.47Å; T178-H181 PolarHBondContact O-N 3.44Å; T178-H181 PolarHBondContact OG1-N 3.13Å; T178-H181 PolarHBondContact OG1-ND1 2.77Å; T178-I182 PolarHBondContact O-N 3.44Å; T178-D234 WeakPolarHBondContact CB-O 3.3Å; T178-M236 WeakPolarHBondContact CA-O 3.5Å; T178-M236 WeakPolarHBondContact CB-O 3.48Å; T178-N237 HydrophobicContact CG2-CB 4.29Å
179V96.6Very high94.2Very high0 Ų048 Ų480%024%0.243CC..Hα-helixtrans-57.7-38.4174.1-173.90000111.1H181 I182 R183 I219 L230 C233 M236 I241V179-H181 VanDerWaalsContact C-N 3.32Å; V179-H181 PolarHBondContact O-N 3.44Å; V179-I182 WeakPolarHBondContact O-CB 3.32Å; V179-I182 PolarHBondContact O-N 3.03Å; V179-R183 PolarHBondContact O-N 2.88Å; V179-I219 HydrophobicContact CG1-CB 3.91Å; V179-I219 HydrophobicContact CG1-CG1 3.95Å; V179-I219 HydrophobicContact CG1-CG2 4.38Å; V179-L230 HydrophobicContact CG1-CB 4.04Å; V179-L230 HydrophobicContact CG2-CB 4.23Å; V179-L230 HydrophobicContact CG2-CD1 4.03Å; V179-C233 HydrophobicContact CG2-CB 4.29Å; V179-C233 WeakPolarHBondContact CG2-O 3.36Å; V179-M236 PolarHBondContact N-O 2.87Å; V179-M236 VanDerWaalsContact N-O 3.13Å; V179-I241 HydrophobicContact CG2-CD1 3.37Å; V179-I241 HydrophobicContact CG2-CG1 4.33Å
180A96.3Very high94.5Very high40 Ų4044.8 Ų44.833%0.33123%0.229SC..Hα-helixtrans-60.1-39.417300000112.7T178 R183 K184 D234T178-A180 PolarHBondContact O-N 2.65Å; A180-R183 PolarHBondContact O-N 2.86Å; A180-K184 PolarHBondContact O-N 3.21Å; A180-D234 HydrophobicContact CB-CB 4.44Å; A180-D234 WeakPolarHBondContact CB-O 3.03Å; A180-D234 PolarHBondContact N-O 3.48Å; A180-D234 VanDerWaalsContact N-O 3.1Å
181H97.1Very high94.7Very high102 Ų10245.8 Ų45.847%0.47224%0.236SC..Hα-helixtrans-64-40.2173.7-67.5143.4000112.3S176 T178 V179 R183 K184 Y185S176-H181 PolarHBondContact O-ND1 3.42Å; T178-H181 PolarHBondContact N-ND1 2.85Å; T178-H181 WeakPolarHBondContact O-CA 3.06Å; T178-H181 WeakPolarHBondContact O-CB 3.47Å; T178-H181 PolarHBondContact O-N 3.44Å; T178-H181 PolarHBondContact OG1-N 3.13Å; T178-H181 PolarHBondContact OG1-ND1 2.77Å; V179-H181 VanDerWaalsContact C-N 3.32Å; V179-H181 PolarHBondContact O-N 3.44Å; H181-R183 VanDerWaalsContact C-N 3.34Å; H181-R183 PolarHBondContact O-N 2.8Å; H181-K184 PolarHBondContact O-N 2.84Å; H181-Y185 WeakPolarHBondContact O-CB 3.45Å; H181-Y185 PolarHBondContact O-N 2.97Å
182I96.9Very high95.1Very high3 Ų340 Ų402%0.01522%0.218CC..Hα-helixtrans-60.2-44.7175.3-58.5171000110.6F146 L148 T178 V179 K184 Y185 L186 I219 I238F146-I182 HydrophobicContact CZ-CD1 4.36Å; F146-I182 HydrophobicContact CZ-CG1 4.24Å; L148-I182 HydrophobicContact CD1-CG2 4Å; L148-I182 HydrophobicContact CD2-CG2 3.84Å; T178-I182 PolarHBondContact O-N 3.44Å; V179-I182 WeakPolarHBondContact O-CB 3.32Å; V179-I182 PolarHBondContact O-N 3.03Å; I182-K184 PolarHBondContact O-N 2.88Å; I182-Y185 WeakPolarHBondContact O-CB 3.49Å; I182-Y185 PolarHBondContact O-N 3.33Å; I182-L186 HydrophobicContact CG2-CD1 4.03Å; I182-L186 WeakPolarHBondContact O-CG 3.45Å; I182-L186 PolarHBondContact O-N 2.76Å; I182-I219 HydrophobicContact CG2-CD1 3.99Å; I182-I219 HydrophobicContact CG2-CG1 4.41Å; I182-I238 HydrophobicContact CD1-CD1 3.67Å; I182-I238 HydrophobicContact CG1-CD1 4.49Å
183R96.4Very high95.3Very high37 Ų3738.6 Ų38.614%0.1421%0.209CC..Hα-helixtrans-60.7-46.4176.2-67.8-168.6-170.992.6-6.3112V179 A180 H181 Y185 L186 L187 I217 I219 L230 D234V179-R183 PolarHBondContact O-N 2.88Å; A180-R183 PolarHBondContact O-N 2.86Å; H181-R183 VanDerWaalsContact C-N 3.34Å; H181-R183 PolarHBondContact O-N 2.8Å; R183-Y185 VanDerWaalsContact C-N 3.3Å; R183-Y185 PolarHBondContact O-N 2.88Å; R183-L186 PolarHBondContact O-N 3.01Å; R183-L187 PolarHBondContact O-N 3.07Å; R183-I217 WeakPolarHBondContact CD-O 3.38Å; R183-I217 HydrophobicContact CG-CB 4.24Å; R183-I217 PolarHBondContact NE-O 3.47Å; R183-I219 HydrophobicContact CG-CD1 4.15Å; R183-I219 HydrophobicContact CG-CG1 3.76Å; R183-L230 PolarHBondContact NH2-O 3.02Å; R183-D234 IonicContact CZ-OD1 3.04Å; R183-D234 IonicContact CZ-OD2 2.66Å; R183-D234 IonicContact NH1-OD1 2.77Å; R183-D234 PolarHBondContact NH1-OD1 3.15Å; R183-D234 IonicContact NH1-OD2 3.76Å; R183-D234 PolarHBondContact NH1-OD2 3.18Å; R183-D234 IonicContact NH2-OD1 2.77Å; R183-D234 PolarHBondContact NH2-OD1 2.96Å; R183-D234 IonicContact NH2-OD2 3.95Å
184K95.8Very high95.5Very high156 Ų15637.5 Ų37.568%0.67820%0.202SC*.Hα-helixtrans-61.1-41.5177.6-173.7176.7-179.2178.10111.5A180 H181 I182 M188A180-K184 PolarHBondContact O-N 3.21Å; H181-K184 PolarHBondContact O-N 2.84Å; I182-K184 PolarHBondContact O-N 2.88Å; K184-M188 VanDerWaalsContact O-CB 3.28Å; K184-M188 WeakPolarHBondContact O-CB 3.31Å; K184-M188 PolarHBondContact O-N 2.88Å
185Y96.4Very high95.7Very high57 Ų5740.9 Ų40.922%0.22422%0.219CC..Hα-helixtrans-60.3-50174.8169.7-96.6000111.3L148 V170 H181 I182 R183 L187 M188 R189L148-Y185 HydrophobicContact CD1-CD1 3.87Å; L148-Y185 HydrophobicContact CD1-CE1 3.87Å; V170-Y185 HydrophobicContact CG2-CD1 4.41Å; V170-Y185 HydrophobicContact CG2-CE1 3.72Å; H181-Y185 WeakPolarHBondContact O-CB 3.45Å; H181-Y185 PolarHBondContact O-N 2.97Å; I182-Y185 WeakPolarHBondContact O-CB 3.49Å; I182-Y185 PolarHBondContact O-N 3.33Å; R183-Y185 VanDerWaalsContact C-N 3.3Å; R183-Y185 PolarHBondContact O-N 2.88Å; Y185-L187 PolarHBondContact O-N 3.1Å; Y185-M188 PolarHBondContact O-N 3.1Å; Y185-R189 HydrophobicContact CE1-CB 4.48Å; Y185-R189 WeakPolarHBondContact O-CB 3.46Å; Y185-R189 PolarHBondContact O-N 2.78Å
186L97.2Very high95.6Very high0 Ų039 Ų390%021%0.205CC..Hα-helixtrans-60.2-47.5179.6-76.3165.5000111.7L148 I182 R183 M188 R189 S190 I217 I219 Y258L148-L186 HydrophobicContact CD1-CD1 4.43Å; L148-L186 HydrophobicContact CD1-CD2 3.86Å; L148-L186 HydrophobicContact CD1-CG 4.06Å; I182-L186 HydrophobicContact CG2-CD1 4.03Å; I182-L186 WeakPolarHBondContact O-CG 3.45Å; I182-L186 PolarHBondContact O-N 2.76Å; R183-L186 PolarHBondContact O-N 3.01Å; L186-M188 PolarHBondContact O-N 2.91Å; L186-R189 PolarHBondContact O-N 3.3Å; L186-S190 WeakPolarHBondContact O-CB 3.24Å; L186-S190 PolarHBondContact O-N 2.73Å; L186-S190 PolarHBondContact O-OG 3.15Å; L186-I217 HydrophobicContact CB-CD1 3.99Å; L186-I217 HydrophobicContact CD1-CG2 4.02Å; L186-I219 HydrophobicContact CD1-CD1 3.5Å; L186-I219 VanDerWaalsContact CD1-CD1 3.5Å; L186-Y258 HydrophobicContact CD1-CD1 4.12Å; L186-Y258 HydrophobicContact CD1-CG 3.9Å; L186-Y258 HydrophobicContact CD2-CD1 3.76Å; L186-Y258 HydrophobicContact CD2-CE1 4Å; L186-Y258 HydrophobicContact CD2-CG 4.08Å
187L96.3Very high95.5Very high71 Ų7139.2 Ų39.237%0.37220%0.197SC..Hα-helixtrans-59.3-48.3177.6-178.861.8000111.8R183 Y185 R189 S190 C191 I210 I214 I217R183-L187 PolarHBondContact O-N 3.07Å; Y185-L187 PolarHBondContact O-N 3.1Å; L187-R189 VanDerWaalsContact C-N 3.29Å; L187-R189 PolarHBondContact O-N 3.18Å; L187-S190 PolarHBondContact O-N 3.39Å; L187-C191 PolarHBondContact O-N 2.79Å; L187-C191 VanDerWaalsContact O-N 3.15Å; L187-C191 PolarHBondContact O-SG 3.47Å; L187-I210 HydrophobicContact CD1-CG2 3.75Å; L187-I214 HydrophobicContact CD1-CG2 4.13Å; L187-I217 HydrophobicContact CB-CD1 4.04Å
188M95.2Very high95.3Very high84 Ų8439 Ų3941%0.41420%0.197SC..Hα-helixtrans-60.4-41.4176.8-179.9-119.1120.400111.4L42 K184 Y185 L186 C191 V192L42-M188 HydrophobicContact CD1-CE 3.88Å; K184-M188 VanDerWaalsContact O-CB 3.28Å; K184-M188 WeakPolarHBondContact O-CB 3.31Å; K184-M188 PolarHBondContact O-N 2.88Å; Y185-M188 PolarHBondContact O-N 3.1Å; L186-M188 PolarHBondContact O-N 2.91Å; M188-C191 PolarHBondContact O-N 3.06Å; M188-V192 HydrophobicContact CE-CB 4.28Å; M188-V192 HydrophobicContact CE-CG2 3.49Å; M188-V192 VanDerWaalsContact CE-CG2 3.49Å; M188-V192 WeakPolarHBondContact O-CG2 3.38Å; M188-V192 PolarHBondContact O-N 3.13Å; M188-V192 VanDerWaalsContact O-N 3.13Å
189R95.5Very high95.2Very high3 Ų341.7 Ų41.71%0.01121%0.211CC..Hα-helixtrans-65.3-45.5178.9-174.257.2171.5-135.8-3.1111.5C41 L42 D43 Y185 L186 L187 C191 V192 E193C41-R189 PolarHBondContact O-NH1 2.63Å; C41-R189 PolarHBondContact O-NH2 2.81Å; L42-R189 VanDerWaalsContact C-NH2 3.27Å; L42-R189 VanDerWaalsContact O-CZ 3.26Å; L42-R189 PolarHBondContact O-NH1 2.78Å; L42-R189 PolarHBondContact O-NH2 3.29Å; D43-R189 IonicContact OD1-NH2 3.74Å; D43-R189 PolarHBondContact OD1-NH2 2.7Å; D43-R189 IonicContact OD2-NH2 2.67Å; Y185-R189 HydrophobicContact CE1-CB 4.48Å; Y185-R189 WeakPolarHBondContact O-CB 3.46Å; Y185-R189 PolarHBondContact O-N 2.78Å; L186-R189 PolarHBondContact O-N 3.3Å; L187-R189 VanDerWaalsContact C-N 3.29Å; L187-R189 PolarHBondContact O-N 3.18Å; R189-C191 VanDerWaalsContact C-N 3.32Å; R189-C191 PolarHBondContact O-N 2.56Å; R189-V192 PolarHBondContact O-N 3.48Å; R189-E193 HydrophobicContact CG-CG 4.21Å; R189-E193 IonicContact CZ-OE1 3.73Å; R189-E193 VanDerWaalsContact NE-CD 3.31Å; R189-E193 IonicContact NE-OE1 3.67Å; R189-E193 PolarHBondContact NE-OE1 2.99Å; R189-E193 IonicContact NH2-OE1 3.86Å; R189-E193 WeakPolarHBondContact O-CB 3.46Å; R189-E193 VanDerWaalsContact O-CG 3.31Å; R189-E193 WeakPolarHBondContact O-CG 3.31Å; R189-E193 PolarHBondContact O-N 3.12Å
190S96.4Very high94.9Very high0 Ų051 Ų510%025%0.246CC..Hα-helixtrans-55.6-46.3175.4-57.50000111.4L186 L187 V192 E193 L194 Y260L186-S190 WeakPolarHBondContact O-CB 3.24Å; L186-S190 PolarHBondContact O-N 2.73Å; L186-S190 PolarHBondContact O-OG 3.15Å; L187-S190 PolarHBondContact O-N 3.39Å; S190-V192 PolarHBondContact O-N 2.83Å; S190-E193 PolarHBondContact O-N 3.01Å; S190-L194 WeakPolarHBondContact O-CB 3.25Å; S190-L194 VanDerWaalsContact O-CG 3.24Å; S190-L194 WeakPolarHBondContact O-CG 3.31Å; S190-L194 PolarHBondContact O-N 3.42Å; S190-Y260 PolarHBondContact OG-OH 2.95Å; S190-Y260 VanDerWaalsContact OG-OH 3.05Å
191C95.4Very high94.8Very high39 Ų3955.8 Ų55.826%0.26426%0.261SS..Hα-helixtrans-59.8-48.8176.9-63.60000112.1L187 M188 R189 E193 L195 V206L187-C191 PolarHBondContact O-N 2.79Å; L187-C191 VanDerWaalsContact O-N 3.15Å; L187-C191 PolarHBondContact O-SG 3.47Å; M188-C191 PolarHBondContact O-N 3.06Å; R189-C191 VanDerWaalsContact C-N 3.32Å; R189-C191 PolarHBondContact O-N 2.56Å; C191-E193 PolarHBondContact O-N 3.38Å; C191-L195 VanDerWaalsContact O-CB 3.31Å; C191-L195 WeakPolarHBondContact O-CB 3.41Å; C191-L195 PolarHBondContact O-N 3.39Å; C191-V206 HydrophobicContact CB-CG1 4.32Å
192V94.3Very high94.7Very high29 Ų2951.1 Ų51.118%0.17624%0.24CC..Hα-helixtrans-63.9-41.5-179.2168.10000111.4I40 M188 R189 S190 L195 T196I40-V192 VanDerWaalsContact O-CG1 3.24Å; I40-V192 WeakPolarHBondContact O-CG1 3.29Å; M188-V192 HydrophobicContact CE-CB 4.28Å; M188-V192 HydrophobicContact CE-CG2 3.49Å; M188-V192 VanDerWaalsContact CE-CG2 3.49Å; M188-V192 WeakPolarHBondContact O-CG2 3.38Å; M188-V192 PolarHBondContact O-N 3.13Å; M188-V192 VanDerWaalsContact O-N 3.13Å; R189-V192 PolarHBondContact O-N 3.48Å; S190-V192 PolarHBondContact O-N 2.83Å; V192-L195 PolarHBondContact O-N 3.49Å; V192-T196 HydrophobicContact CG1-CG2 4.28Å; V192-T196 VanDerWaalsContact O-CB 3.28Å; V192-T196 WeakPolarHBondContact O-CB 3.37Å; V192-T196 VanDerWaalsContact O-CG2 3.25Å; V192-T196 WeakPolarHBondContact O-CG2 3.41Å; V192-T196 PolarHBondContact O-N 3.39Å; V192-T196 PolarHBondContact O-OG1 2.89Å
193E94.7Very high94.6Very high1 Ų151.9 Ų51.91%0.00525%0.245CC..Hα-helixtrans-71.3-41.8-178.3-70.6-173.4147.100112.3I163 H168 R189 S190 C191 L195 T196 K197I163-E193 HydrophobicContact CG2-CB 3.62Å; H168-E193 IonicContact CE1-OE1 2.88Å; H168-E193 PolarHBondContact CE1-OE1 3.35Å; H168-E193 IonicContact CE1-OE2 3.53Å; H168-E193 PolarHBondContact CE1-OE2 2.63Å; H168-E193 IonicContact NE2-OE2 2.76Å; R189-E193 HydrophobicContact CG-CG 4.21Å; R189-E193 IonicContact CZ-OE1 3.73Å; R189-E193 VanDerWaalsContact NE-CD 3.31Å; R189-E193 IonicContact NE-OE1 3.67Å; R189-E193 PolarHBondContact NE-OE1 2.99Å; R189-E193 IonicContact NH2-OE1 3.86Å; R189-E193 WeakPolarHBondContact O-CB 3.46Å; R189-E193 VanDerWaalsContact O-CG 3.31Å; R189-E193 WeakPolarHBondContact O-CG 3.31Å; R189-E193 PolarHBondContact O-N 3.12Å; S190-E193 PolarHBondContact O-N 3.01Å; C191-E193 PolarHBondContact O-N 3.38Å; E193-L195 VanDerWaalsContact C-N 3.3Å; E193-L195 PolarHBondContact O-N 2.93Å; E193-T196 PolarHBondContact O-N 3.3Å; E193-K197 HydrophobicContact CB-CD 4.26Å; E193-K197 VanDerWaalsContact CD-NZ 3.3Å; E193-K197 HydrophobicContact CG-CD 4.35Å; E193-K197 WeakPolarHBondContact O-CA 3.44Å; E193-K197 VanDerWaalsContact O-CB 3.29Å; E193-K197 WeakPolarHBondContact O-CB 3.14Å; E193-K197 PolarHBondContact O-N 3.37Å; E193-K197 IonicContact OE1-NZ 2.63Å; E193-K197 PolarHBondContact OE1-NZ 3.15Å
194L95.8Very high94.5Very high0 Ų056 Ų560%027%0.267CS..Hα-helixtrans-60-42.9172.5-69.7171000111.3L160 I163 L164 S190 T196 G198 T202 S203 V206 I209 I210L160-L194 HydrophobicContact CD2-CD2 3.74Å; I163-L194 HydrophobicContact CD1-CD2 4.41Å; I163-L194 HydrophobicContact CG2-CD2 4.11Å; I163-L194 HydrophobicContact CG2-CG 4.44Å; L164-L194 HydrophobicContact CD1-CD1 4.43Å; L164-L194 HydrophobicContact CD1-CD2 4.22Å; L164-L194 HydrophobicContact CD2-CD1 4.17Å; L164-L194 HydrophobicContact CD2-CD2 4.18Å; L164-L194 HydrophobicContact CD2-CG 3.98Å; L164-L194 HydrophobicContact CG-CD2 4.07Å; L164-L194 HydrophobicContact CG-CG 4.41Å; S190-L194 WeakPolarHBondContact O-CB 3.25Å; S190-L194 VanDerWaalsContact O-CG 3.24Å; S190-L194 WeakPolarHBondContact O-CG 3.31Å; S190-L194 PolarHBondContact O-N 3.42Å; L194-T196 PolarHBondContact O-N 2.97Å; L194-G198 WeakPolarHBondContact O-CA 3.28Å; L194-G198 PolarHBondContact O-N 3.46Å; L194-G198 VanDerWaalsContact O-N 3.11Å; L194-T202 HydrophobicContact CB-CG2 4.35Å; L194-T202 HydrophobicContact CD2-CG2 3.68Å; L194-S203 PolarHBondContact O-OG 2.91Å; L194-V206 HydrophobicContact CB-CG1 4.08Å; L194-V206 HydrophobicContact CB-CG2 3.92Å; L194-V206 HydrophobicContact CD1-CG1 4.31Å; L194-I209 HydrophobicContact CD1-CG2 4Å; L194-I210 HydrophobicContact CD1-CD1 3.65Å; L194-I210 HydrophobicContact CD1-CG1 3.98Å
195L93.7Very high94.4Very high73 Ų7351.4 Ų51.438%0.38225%0.249SC..Hα-helixtrans-65.7-38177.4-178.464.7000112.6R65 C191 V192 E193 S203 V206R65-L195 WeakPolarHBondContact CD-O 3.2Å; R65-L195 PolarHBondContact NE-O 3.44Å; R65-L195 VanDerWaalsContact NE-O 3.1Å; R65-L195 PolarHBondContact NH2-O 2.82Å; C191-L195 VanDerWaalsContact O-CB 3.31Å; C191-L195 WeakPolarHBondContact O-CB 3.41Å; C191-L195 PolarHBondContact O-N 3.39Å; V192-L195 PolarHBondContact O-N 3.49Å; E193-L195 VanDerWaalsContact C-N 3.3Å; E193-L195 PolarHBondContact O-N 2.93Å; L195-S203 PolarHBondContact O-OG 3.07Å; L195-V206 HydrophobicContact CB-CG2 4.16Å; L195-V206 HydrophobicContact CD1-CG2 4.5Å
196T92Very high94.4Very high16 Ų1649.3 Ų49.310%0.09824%0.242CC..Hα-helixtrans-93.9-31.6-169.855.20000113.9I40 C41 R65 V192 E193 L194I40-T196 HydrophobicContact CG2-CG2 4.26Å; C41-T196 HydrophobicContact CB-CG2 4.42Å; R65-T196 VanDerWaalsContact NH1-CA 3.31Å; R65-T196 PolarHBondContact NH1-O 3.04Å; R65-T196 PolarHBondContact NH2-O 2.93Å; R65-T196 VanDerWaalsContact NH2-O 3.1Å; V192-T196 HydrophobicContact CG1-CG2 4.28Å; V192-T196 VanDerWaalsContact O-CB 3.28Å; V192-T196 WeakPolarHBondContact O-CB 3.37Å; V192-T196 VanDerWaalsContact O-CG2 3.25Å; V192-T196 WeakPolarHBondContact O-CG2 3.41Å; V192-T196 PolarHBondContact O-N 3.39Å; V192-T196 PolarHBondContact O-OG1 2.89Å; E193-T196 PolarHBondContact O-N 3.3Å; L194-T196 PolarHBondContact O-N 2.97Å
197K91.4Very high94.3Very high76 Ų7654.5 Ų54.533%0.3327%0.27SS..Hα-helixtrans-115.6-16.3-172.7-55.3171.8-175.5168.70113.4D43 I163 E193D43-K197 WeakPolarHBondContact OD2-CE 3.24Å; D43-K197 IonicContact OD2-NZ 3.59Å; D43-K197 PolarHBondContact OD2-NZ 3.02Å; I163-K197 HydrophobicContact CD1-CB 4.49Å; I163-K197 HydrophobicContact CG1-CB 4.4Å; E193-K197 HydrophobicContact CB-CD 4.26Å; E193-K197 VanDerWaalsContact CD-NZ 3.3Å; E193-K197 HydrophobicContact CG-CD 4.35Å; E193-K197 WeakPolarHBondContact O-CA 3.44Å; E193-K197 VanDerWaalsContact O-CB 3.29Å; E193-K197 WeakPolarHBondContact O-CB 3.14Å; E193-K197 PolarHBondContact O-N 3.37Å; E193-K197 IonicContact OE1-NZ 2.63Å; E193-K197 PolarHBondContact OE1-NZ 3.15Å
198G92Very high94.2Very high8 Ų855.5 Ų55.58%0.08227%0.273CS..SBendtrans-63.2156.6174.600000112L194 S203L194-G198 WeakPolarHBondContact O-CA 3.28Å; L194-G198 PolarHBondContact O-N 3.46Å; L194-G198 VanDerWaalsContact O-N 3.11Å; G198-S203 PolarHBondContact O-OG 3.09Å; G198-S203 VanDerWaalsContact O-OG 3.07Å
199D93.3Very high94.2Very high81 Ų8152.6 Ų52.643%0.43326%0.259SS..  trans-62.2176.4164.774.8-64.8000110.3Q201 T202 S203D199-Q201 VanDerWaalsContact C-N 3.3Å; D199-Q201 PolarHBondContact O-N 3.39Å; D199-Q201 WeakPolarHBondContact OD2-CB 3.36Å; D199-Q201 PolarHBondContact OD2-N 3.36Å; D199-T202 PolarHBondContact O-N 3.07Å; D199-T202 WeakPolarHBondContact OD1-CB 3.3Å; D199-T202 PolarHBondContact OD1-N 2.87Å; D199-T202 PolarHBondContact OD1-OG1 2.88Å; D199-S203 VanDerWaalsContact O-CB 3.3Å; D199-S203 WeakPolarHBondContact O-CB 3.45Å; D199-S203 PolarHBondContact O-N 3.26Å; D199-S203 PolarHBondContact O-OG 3.17Å
200R91.5Very high94.2Very high196 Ų19653.3 Ų53.374%0.7426%0.262SS*.Hα-helixtrans-58.4-43.6-176.5-176.1176.3177.2178.8-4.3111.9S203 E204R200-S203 PolarHBondContact O-N 2.9Å; R200-E204 VanDerWaalsContact CG-OE1 3.29Å; R200-E204 WeakPolarHBondContact CG-OE1 3.34Å; R200-E204 IonicContact CZ-OE1 2.78Å; R200-E204 IonicContact NE-OE1 2.73Å; R200-E204 PolarHBondContact NE-OE1 2.8Å; R200-E204 IonicContact NH2-OE1 2.7Å; R200-E204 WeakPolarHBondContact O-CB 3.16Å; R200-E204 VanDerWaalsContact O-CG 3.31Å; R200-E204 WeakPolarHBondContact O-CG 3.07Å; R200-E204 PolarHBondContact O-N 2.96Å; R200-E204 VanDerWaalsContact O-N 3.07Å
201Q94.4Very high94.1Very high140 Ų14060.6 Ų60.665%0.65429%0.29SS*.Hα-helixtrans-69.3-43.5-178-173.2175.2-7.100111D199 E204 N205D199-Q201 VanDerWaalsContact C-N 3.3Å; D199-Q201 PolarHBondContact O-N 3.39Å; D199-Q201 WeakPolarHBondContact OD2-CB 3.36Å; D199-Q201 PolarHBondContact OD2-N 3.36Å; Q201-E204 PolarHBondContact O-N 2.81Å; Q201-N205 WeakPolarHBondContact O-CB 3.29Å; Q201-N205 PolarHBondContact O-N 2.77Å; Q201-N205 PolarHBondContact O-ND2 3.35Å
202T94.9Very high93.9Very high4 Ų463.6 Ų63.63%0.02530%0.3CS..Hα-helixtrans-62.1-44.6175.4-62.50000111.7N159 L160 L194 D199 E204 N205 V206 I209N159-T202 PolarHBondContact ND2-OG1 3.35Å; L160-T202 HydrophobicContact CD2-CG2 3.82Å; L194-T202 HydrophobicContact CB-CG2 4.35Å; L194-T202 HydrophobicContact CD2-CG2 3.68Å; D199-T202 PolarHBondContact O-N 3.07Å; D199-T202 WeakPolarHBondContact OD1-CB 3.3Å; D199-T202 PolarHBondContact OD1-N 2.87Å; D199-T202 PolarHBondContact OD1-OG1 2.88Å; T202-E204 VanDerWaalsContact C-N 3.31Å; T202-E204 PolarHBondContact O-N 3.43Å; T202-N205 PolarHBondContact O-N 2.78Å; T202-V206 WeakPolarHBondContact O-CG2 3.06Å; T202-V206 PolarHBondContact O-N 3.41Å; T202-I209 HydrophobicContact CG2-CD1 3.85Å
203S93.5Very high93.8Very high18 Ų1866 Ų6613%0.12631%0.306CS..Hα-helixtrans-65.4-30.8-179-61.80000113.3L194 L195 G198 D199 R200 V206L194-S203 PolarHBondContact O-OG 2.91Å; L195-S203 PolarHBondContact O-OG 3.07Å; G198-S203 PolarHBondContact O-OG 3.09Å; G198-S203 VanDerWaalsContact O-OG 3.07Å; D199-S203 VanDerWaalsContact O-CB 3.3Å; D199-S203 WeakPolarHBondContact O-CB 3.45Å; D199-S203 PolarHBondContact O-N 3.26Å; D199-S203 PolarHBondContact O-OG 3.17Å; R200-S203 PolarHBondContact O-N 2.9Å; S203-V206 WeakPolarHBondContact O-CG2 3.32Å
204E94Very high93.8Very high125 Ų12566.4 Ų66.458%0.58431%0.308SS*.Hα-helixtrans-81.1-22.3177.8-73.3171.3-175.500112.2R200 Q201 T202R200-E204 VanDerWaalsContact CG-OE1 3.29Å; R200-E204 WeakPolarHBondContact CG-OE1 3.34Å; R200-E204 IonicContact CZ-OE1 2.78Å; R200-E204 IonicContact NE-OE1 2.73Å; R200-E204 PolarHBondContact NE-OE1 2.8Å; R200-E204 IonicContact NH2-OE1 2.7Å; R200-E204 WeakPolarHBondContact O-CB 3.16Å; R200-E204 VanDerWaalsContact O-CG 3.31Å; R200-E204 WeakPolarHBondContact O-CG 3.07Å; R200-E204 PolarHBondContact O-N 2.96Å; R200-E204 VanDerWaalsContact O-N 3.07Å; Q201-E204 PolarHBondContact O-N 2.81Å; T202-E204 VanDerWaalsContact C-N 3.31Å; T202-E204 PolarHBondContact O-N 3.43Å
205N95.5Very high93.6Very high59 Ų5970.4 Ų70.432%0.31633%0.33SS..SBendtrans-111.919.6-174.8-64.4-65.5000114.1Q201 T202 D207 Q208 I209Q201-N205 WeakPolarHBondContact O-CB 3.29Å; Q201-N205 PolarHBondContact O-N 2.77Å; Q201-N205 PolarHBondContact O-ND2 3.35Å; T202-N205 PolarHBondContact O-N 2.78Å; N205-D207 VanDerWaalsContact C-N 3.33Å; N205-D207 PolarHBondContact O-N 3.05Å; N205-Q208 PolarHBondContact O-N 3.39Å; N205-Q208 VanDerWaalsContact O-N 3.08Å; N205-I209 HydrophobicContact CB-CD1 4.25Å; N205-I209 HydrophobicContact CB-CG1 4.46Å; N205-I209 WeakPolarHBondContact O-CG1 3.48Å; N205-I209 PolarHBondContact O-N 3.49Å
206V95.3Very high93.5Very high12 Ų1272.9 Ų72.97%0.07334%0.339CS..Hα-helixtrans-50-51.1-174.7176.90000112.2C191 L194 L195 T202 S203 Q208 I209 I210C191-V206 HydrophobicContact CB-CG1 4.32Å; L194-V206 HydrophobicContact CB-CG1 4.08Å; L194-V206 HydrophobicContact CB-CG2 3.92Å; L194-V206 HydrophobicContact CD1-CG1 4.31Å; L195-V206 HydrophobicContact CB-CG2 4.16Å; L195-V206 HydrophobicContact CD1-CG2 4.5Å; T202-V206 WeakPolarHBondContact O-CG2 3.06Å; T202-V206 PolarHBondContact O-N 3.41Å; S203-V206 WeakPolarHBondContact O-CG2 3.32Å; V206-Q208 VanDerWaalsContact C-N 3.29Å; V206-Q208 PolarHBondContact O-N 3.48Å; V206-I209 PolarHBondContact O-N 3.46Å; V206-I210 HydrophobicContact CG1-CG1 4.13Å; V206-I210 VanDerWaalsContact O-CG1 3.31Å; V206-I210 WeakPolarHBondContact O-CG1 3.36Å; V206-I210 PolarHBondContact O-N 3.27Å
207D95Very high93.7Very high109 Ų10972.9 Ų72.958%0.58334%0.338SS*.Hα-helixtrans-61.1-37.8-177-72.9-22.2000112.8N205 R211N205-D207 VanDerWaalsContact C-N 3.33Å; N205-D207 PolarHBondContact O-N 3.05Å; D207-R211 WeakPolarHBondContact O-CG 3.38Å; D207-R211 VanDerWaalsContact O-CZ 3.25Å; D207-R211 PolarHBondContact O-N 2.8Å; D207-R211 VanDerWaalsContact O-N 3.17Å; D207-R211 PolarHBondContact O-NE 3.19Å; D207-R211 PolarHBondContact O-NH1 3.47Å
208Q95.1Very high93.9Very high93 Ų9369.8 Ų69.844%0.43533%0.326SS..Hα-helixtrans-70.5-43.6176.8-178.1177.5-3.100111N205 V206 R211 Q212N205-Q208 PolarHBondContact O-N 3.39Å; N205-Q208 VanDerWaalsContact O-N 3.08Å; V206-Q208 VanDerWaalsContact C-N 3.29Å; V206-Q208 PolarHBondContact O-N 3.48Å; Q208-R211 PolarHBondContact O-N 3.03Å; Q208-Q212 WeakPolarHBondContact O-CB 3.43Å; Q208-Q212 VanDerWaalsContact O-CG 3.32Å; Q208-Q212 WeakPolarHBondContact O-CG 3.43Å; Q208-Q212 PolarHBondContact O-N 3.26Å
209I95.1Very high94.1Very high22 Ų2269.4 Ų69.411%0.11332%0.322CS..Hα-helixtrans-61.7-47.1179-67.2168.2000110.4L160 L194 T202 N205 V206 R211 Q212 R213L160-I209 HydrophobicContact CD1-CG2 3.91Å; L160-I209 HydrophobicContact CD2-CD1 4.44Å; L160-I209 HydrophobicContact CD2-CG2 4.34Å; L194-I209 HydrophobicContact CD1-CG2 4Å; T202-I209 HydrophobicContact CG2-CD1 3.85Å; N205-I209 HydrophobicContact CB-CD1 4.25Å; N205-I209 HydrophobicContact CB-CG1 4.46Å; N205-I209 WeakPolarHBondContact O-CG1 3.48Å; N205-I209 PolarHBondContact O-N 3.49Å; V206-I209 PolarHBondContact O-N 3.46Å; I209-R211 PolarHBondContact O-N 2.94Å; I209-Q212 PolarHBondContact O-N 3.24Å; I209-R213 HydrophobicContact CG2-CG 4.26Å; I209-R213 WeakPolarHBondContact O-CB 3.33Å; I209-R213 WeakPolarHBondContact O-CG 3.35Å; I209-R213 PolarHBondContact O-N 3.41Å
210I95.3Very high94.3Very high18 Ų1866.1 Ų66.19%0.09230%0.304CS..Hα-helixtrans-60-48.3178.4-68.3-70000110.6L187 L194 V206 Q212 R213 I214L187-I210 HydrophobicContact CD1-CG2 3.75Å; L194-I210 HydrophobicContact CD1-CD1 3.65Å; L194-I210 HydrophobicContact CD1-CG1 3.98Å; V206-I210 HydrophobicContact CG1-CG1 4.13Å; V206-I210 VanDerWaalsContact O-CG1 3.31Å; V206-I210 WeakPolarHBondContact O-CG1 3.36Å; V206-I210 PolarHBondContact O-N 3.27Å; I210-Q212 VanDerWaalsContact C-N 3.26Å; I210-Q212 PolarHBondContact O-N 2.82Å; I210-R213 PolarHBondContact O-N 3.33Å; I210-I214 HydrophobicContact CD1-CD1 3.72Å; I210-I214 HydrophobicContact CD1-CG1 4.47Å; I210-I214 CarbonylContact O-C 3.45Å; I210-I214 WeakPolarHBondContact O-CA 3.25Å; I210-I214 PolarHBondContact O-N 3.31Å
211R93.5Very high94.5Very high154 Ų15456.8 Ų56.858%0.58127%0.269SS*.Hα-helixtrans-59.7-35.1177.3-76.9-172.2-66.7-89.70113.2D207 Q208 I209 I263D207-R211 WeakPolarHBondContact O-CG 3.38Å; D207-R211 VanDerWaalsContact O-CZ 3.25Å; D207-R211 PolarHBondContact O-N 2.8Å; D207-R211 VanDerWaalsContact O-N 3.17Å; D207-R211 PolarHBondContact O-NE 3.19Å; D207-R211 PolarHBondContact O-NH1 3.47Å; Q208-R211 PolarHBondContact O-N 3.03Å; I209-R211 PolarHBondContact O-N 2.94Å; R211-I263 WeakPolarHBondContact O-CD1 3.23Å
212Q92.6Very high94.6Very high102 Ų10254 Ų5448%0.47725%0.253SS..Hα-helixtrans-80-39.3-179.1-72.5177.2-17.500112.7Q208 I209 I210Q208-Q212 WeakPolarHBondContact O-CB 3.43Å; Q208-Q212 VanDerWaalsContact O-CG 3.32Å; Q208-Q212 WeakPolarHBondContact O-CG 3.43Å; Q208-Q212 PolarHBondContact O-N 3.26Å; I209-Q212 PolarHBondContact O-N 3.24Å; I210-Q212 VanDerWaalsContact C-N 3.26Å; I210-Q212 PolarHBondContact O-N 2.82Å
213R91.5Very high94.5Very high78 Ų7853.9 Ų53.929%0.29425%0.252SS..Hα-helixtrans-100.8-18.7-169-61.2-62.3-176.1-178.8-2114.5L160 I209 I210 E262L160-R213 HydrophobicContact CD1-CG 4.47Å; I209-R213 HydrophobicContact CG2-CG 4.26Å; I209-R213 WeakPolarHBondContact O-CB 3.33Å; I209-R213 WeakPolarHBondContact O-CG 3.35Å; I209-R213 PolarHBondContact O-N 3.41Å; I210-R213 PolarHBondContact O-N 3.33Å; R213-E262 WeakPolarHBondContact CD-OE1 3.41Å; R213-E262 IonicContact CZ-OE1 3.43Å; R213-E262 IonicContact NE-OE1 3.73Å; R213-E262 IonicContact NH1-OE1 3.12Å; R213-E262 PolarHBondContact NH1-OE1 3.34Å; R213-E262 IonicContact NH1-OE2 3.25Å; R213-E262 PolarHBondContact NH1-OE2 2.91Å
214I93.8Very high94.2Very high11 Ų1155 Ų556%0.05627%0.266CS..  trans-135.681.2-174.1-46.9-175.4000109.4L187 I210 I217 Y260L187-I214 HydrophobicContact CD1-CG2 4.13Å; I210-I214 HydrophobicContact CD1-CD1 3.72Å; I210-I214 HydrophobicContact CD1-CG1 4.47Å; I210-I214 CarbonylContact O-C 3.45Å; I210-I214 WeakPolarHBondContact O-CA 3.25Å; I210-I214 PolarHBondContact O-N 3.31Å; I214-I217 HydrophobicContact CG2-CD1 3.94Å; I214-I217 HydrophobicContact CG2-CG1 3.69Å; I214-Y260 HydrophobicContact CD1-CD1 4.22Å; I214-Y260 HydrophobicContact CD1-CD2 4.14Å; I214-Y260 HydrophobicContact CD1-CE1 4.21Å; I214-Y260 HydrophobicContact CD1-CE2 4.14Å; I214-Y260 HydrophobicContact CD1-CG 4.18Å; I214-Y260 HydrophobicContact CG1-CD1 4.35Å; I214-Y260 HydrophobicContact CG1-CD2 4.29Å; I214-Y260 HydrophobicContact CG1-CG 4.06Å; I214-Y260 HydrophobicContact CG2-CD1 4.07Å; I214-Y260 HydrophobicContact CG2-CG 4.49Å
215D91.8Very high93.9Very high84 Ų8453.8 Ų53.845%0.44926%0.264SS..SBendtrans-79.3-49.7168.6-177.256.9000110.8H261 I263D215-H261 WeakPolarHBondContact CB-O 3.43Å; D215-H261 PolarHBondContact N-O 3.31Å; D215-I263 HydrophobicContact CB-CG1 3.7Å
216Q92.1Very high93.6Very high124 Ų12455.4 Ų55.458%0.57927%0.266SS*.EExtended strand (participates in β ladder)trans-136.4155178.3-65.1-175.67.600111.3H261Q216-H261 HydrophobicContact CB-CB 4.16Å; Q216-H261 PolarHBondContact O-N 2.97Å
217I95.7Very high93.6Very high16 Ų1656.3 Ų56.38%0.08227%0.27CS..EExtended strand (participates in β ladder)trans-120.5116176.7-50.2-179000108.4R183 L186 L187 I214 I219 F259 Y260R183-I217 WeakPolarHBondContact CD-O 3.38Å; R183-I217 HydrophobicContact CG-CB 4.24Å; R183-I217 PolarHBondContact NE-O 3.47Å; L186-I217 HydrophobicContact CB-CD1 3.99Å; L186-I217 HydrophobicContact CD1-CG2 4.02Å; L187-I217 HydrophobicContact CB-CD1 4.04Å; I214-I217 HydrophobicContact CG2-CD1 3.94Å; I214-I217 HydrophobicContact CG2-CG1 3.69Å; I217-I219 HydrophobicContact CG2-CD1 3.79Å; I217-F259 CarbonylContact C-O 3.5Å; I217-F259 WeakPolarHBondContact CA-O 3.35Å; I217-Y260 HydrophobicContact CD1-CD1 4.26Å; I217-Y260 HydrophobicContact CD1-CE1 4.01Å; I217-Y260 HydrophobicContact CG1-CD1 3.95Å; I217-Y260 HydrophobicContact CG1-CE1 4.19Å; I217-Y260 HydrophobicContact CG2-CD1 4.14Å; I217-Y260 HydrophobicContact CG2-CE1 4.18Å
218S95.6Very high93.5Very high11 Ų1152.4 Ų52.48%0.07725%0.249CC..EExtended strand (participates in β ladder)trans-89.5137.1168.9-64.80000110.1Y258 F259 H261S218-Y258 CarbonylContact O-C 3.56Å; S218-Y258 VanDerWaalsContact O-CA 3.31Å; S218-Y258 WeakPolarHBondContact O-CA 3.49Å; S218-F259 PolarHBondContact N-O 2.7Å; S218-F259 PolarHBondContact O-N 3.2Å; S218-H261 PolarHBondContact OG-NE2 3.33Å
219I97.1Very high93.5Very high0 Ų050.8 Ų50.80%025%0.248CC..EExtended strand (participates in β ladder)trans-112.7139.6176.3-51.2-61.2000108.3V179 I182 R183 L186 I217 L230 F256 Y257V179-I219 HydrophobicContact CG1-CB 3.91Å; V179-I219 HydrophobicContact CG1-CG1 3.95Å; V179-I219 HydrophobicContact CG1-CG2 4.38Å; I182-I219 HydrophobicContact CG2-CD1 3.99Å; I182-I219 HydrophobicContact CG2-CG1 4.41Å; R183-I219 HydrophobicContact CG-CD1 4.15Å; R183-I219 HydrophobicContact CG-CG1 3.76Å; L186-I219 HydrophobicContact CD1-CD1 3.5Å; L186-I219 VanDerWaalsContact CD1-CD1 3.5Å; I217-I219 HydrophobicContact CG2-CD1 3.79Å; I219-L230 HydrophobicContact CB-CB 4.48Å; I219-L230 HydrophobicContact CG2-CD1 4.13Å; I219-L230 WeakPolarHBondContact O-CB 3.41Å; I219-L230 PolarHBondContact O-N 3.4Å; I219-F256 HydrophobicContact CG2-CB 4.19Å; I219-F256 HydrophobicContact CG2-CD1 4.21Å; I219-Y257 CarbonylContact C-O 3.48Å; I219-Y257 WeakPolarHBondContact CA-O 3.36Å
220F96.9Very high93.5Very high13 Ų1349.8 Ų49.86%0.05724%0.243CC..EExtended strand (participates in β ladder)trans-127.4140.5177.7-53-97.7000109.7L227 I228 F256 Y257 F259 I270F220-L227 HydrophobicContact CB-CB 4.07Å; F220-L227 HydrophobicContact CD1-CB 4.4Å; F220-I228 CarbonylContact C-O 3.52Å; F220-I228 WeakPolarHBondContact CA-O 3.37Å; F220-F256 CarbonylContact O-C 3.55Å; F220-F256 WeakPolarHBondContact O-CA 3.49Å; F220-F256 WeakPolarHBondContact O-CB 3.48Å; F220-Y257 PolarHBondContact N-O 2.69Å; F220-Y257 PolarHBondContact O-N 3.13Å; F220-F259 HydrophobicContact CE2-CB 3.85Å; F220-I270 HydrophobicContact CZ-CD1 4.2Å
221A96.5Very high93.2Very high0 Ų052.3 Ų52.30%026%0.259CS..EExtended strand (participates in β ladder)trans-94.7133.8169.100000109.8L227 I228 L230 L250 F256A221-L227 WeakPolarHBondContact O-CA 3.41Å; A221-I228 PolarHBondContact N-O 3Å; A221-I228 PolarHBondContact O-N 3.08Å; A221-L230 HydrophobicContact CB-CD1 4.15Å; A221-L230 HydrophobicContact CB-CD2 4.46Å; A221-L230 HydrophobicContact CB-CG 4.43Å; A221-L250 HydrophobicContact CB-CD1 4.06Å; A221-L250 HydrophobicContact CB-CD2 4.49Å; A221-F256 HydrophobicContact CB-CD1 3.97Å; A221-F256 HydrophobicContact CB-CE1 3.9Å
222R95.9Very high93.1Very high81 Ų8153.9 Ų53.931%0.30628%0.275SS..EExtended strand (participates in β ladder)trans-80.3123.5173.3-174.7-174.4178.3171.92.4110.5G224 Y226 L227 L250 Q255 Y257R222-G224 PolarHBondContact NE-O 3.37Å; R222-G224 VanDerWaalsContact NE-O 3.1Å; R222-Y226 WeakPolarHBondContact CA-O 3.36Å; R222-L227 HydrophobicContact CB-CD2 3.98Å; R222-L227 HydrophobicContact CG-CD2 4.3Å; R222-L250 WeakPolarHBondContact O-CD1 3.24Å; R222-Q255 HydrophobicContact CB-CB 4.05Å; R222-Q255 WeakPolarHBondContact CB-O 3.47Å; R222-Q255 PolarHBondContact N-O 3.08Å; R222-Y257 HydrophobicContact CB-CD2 4.32Å; R222-Y257 HydrophobicContact CB-CE2 3.98Å; R222-Y257 HydrophobicContact CG-CE2 4.37Å
223A92.9Very high93Very high2 Ų249.4 Ų49.42%0.01726%0.255CS..EExtended strand (participates in β ladder)trans-125.7104.5173.200000108.7D225 Y226 I228 Q248 G249 L250A223-D225 PolarHBondContact O-N 2.84Å; A223-D225 VanDerWaalsContact O-N 3.16Å; A223-Y226 PolarHBondContact N-O 3.06Å; A223-Y226 PolarHBondContact O-N 2.63Å; A223-I228 HydrophobicContact CB-CD1 3.58Å; A223-I228 HydrophobicContact CB-CG1 4.22Å; A223-Q248 WeakPolarHBondContact CB-O 3.5Å; A223-G249 WeakPolarHBondContact CA-O 3.49Å; A223-L250 HydrophobicContact CB-CB 4.4Å
224G87.4Confident93Very high40 Ų4048.9 Ų48.941%0.41226%0.258SS..THydrogen-bonded Turntrans53.8-117.6-169.100000112.4R222 G249R222-G224 PolarHBondContact NE-O 3.37Å; R222-G224 VanDerWaalsContact NE-O 3.1Å; G224-G249 PolarHBondContact N-O 2.82Å
225D87.3Confident93.1Very high101 Ų10153.9 Ų53.954%0.5429%0.293SS..THydrogen-bonded Turntrans-9825.1178.2-60.2-35000112.9A223 I278A223-D225 PolarHBondContact O-N 2.84Å; A223-D225 VanDerWaalsContact O-N 3.16Å; D225-I278 WeakPolarHBondContact O-CA 3.38Å; D225-I278 WeakPolarHBondContact O-CB 3.42Å; D225-I278 WeakPolarHBondContact O-CG1 3.37Å; D225-I278 WeakPolarHBondContact O-CG2 3.24Å
226Y89.9Confident93.3Very high93 Ų9351.3 Ų51.337%0.36528%0.278SS..EExtended strand (participates in β ladder)trans-132.8153.5-177.2-57.4-99.1000111R222 A223 K279R222-Y226 WeakPolarHBondContact CA-O 3.36Å; A223-Y226 PolarHBondContact N-O 3.06Å; A223-Y226 PolarHBondContact O-N 2.63Å; Y226-K279 WeakPolarHBondContact CD1-O 3.19Å; Y226-K279 HydrophobicContact CE1-CB 4.22Å; Y226-K279 WeakPolarHBondContact CE1-O 3.48Å
227L94.3Very high93.5Very high31 Ų3147 Ų4716%0.16226%0.259CS..EExtended strand (participates in β ladder)trans-113.4117.8172.8-67.2-175.1000110.3H151 F220 A221 R222 Y257H151-L227 VanDerWaalsContact CD2-CD1 3.46Å; H151-L227 WeakPolarHBondContact CD2-CD1 3.11Å; F220-L227 HydrophobicContact CB-CB 4.07Å; F220-L227 HydrophobicContact CD1-CB 4.4Å; A221-L227 WeakPolarHBondContact O-CA 3.41Å; R222-L227 HydrophobicContact CB-CD2 3.98Å; R222-L227 HydrophobicContact CG-CD2 4.3Å; L227-Y257 HydrophobicContact CD1-CD2 4.47Å; L227-Y257 HydrophobicContact CD1-CG 4.25Å; L227-Y257 HydrophobicContact CD2-CD2 3.43Å; L227-Y257 VanDerWaalsContact CD2-CD2 3.43Å; L227-Y257 HydrophobicContact CD2-CE2 3.86Å; L227-Y257 HydrophobicContact CD2-CG 4.02Å
228I94Very high93.4Very high26 Ų2646.2 Ų46.213%0.13326%0.255CS..EExtended strand (participates in β ladder)trans-91.1117.5178.7-58.3167.4000108.7F220 A221 A223 L230 F245 Q248F220-I228 CarbonylContact C-O 3.52Å; F220-I228 WeakPolarHBondContact CA-O 3.37Å; A221-I228 PolarHBondContact N-O 3Å; A221-I228 PolarHBondContact O-N 3.08Å; A223-I228 HydrophobicContact CB-CD1 3.58Å; A223-I228 HydrophobicContact CB-CG1 4.22Å; I228-L230 PolarHBondContact O-N 3.04Å; I228-F245 HydrophobicContact CD1-CB 3.93Å; I228-F245 HydrophobicContact CD1-CD1 3.94Å; I228-F245 HydrophobicContact CD1-CG 4.04Å; I228-F245 HydrophobicContact CG2-CD1 4Å; I228-F245 HydrophobicContact CG2-CE1 3.72Å; I228-F245 HydrophobicContact CG2-CE2 4.39Å; I228-F245 HydrophobicContact CG2-CG 4.44Å; I228-F245 HydrophobicContact CG2-CZ 3.93Å; I228-Q248 HydrophobicContact CD1-CB 4.13Å; I228-Q248 VanDerWaalsContact CD1-OE1 3.25Å
229S95.1Very high93.3Very high60 Ų6048.6 Ų48.642%0.4227%0.267SS..EExtended strand (participates in β ladder)trans-65.9127.8176.4177.80000111.8V231S229-V231 VanDerWaalsContact OG-CG2 3.31Å; S229-V231 WeakPolarHBondContact OG-CG2 3.49Å
230L94.7Very high93.2Very high0 Ų051.3 Ų51.30%028%0.283CS..  trans-103.619.1178-58.2-178.1000112.9V179 R183 I219 A221 I228 M232 C233 I241 F245 F256V179-L230 HydrophobicContact CG1-CB 4.04Å; V179-L230 HydrophobicContact CG2-CB 4.23Å; V179-L230 HydrophobicContact CG2-CD1 4.03Å; R183-L230 PolarHBondContact NH2-O 3.02Å; I219-L230 HydrophobicContact CB-CB 4.48Å; I219-L230 HydrophobicContact CG2-CD1 4.13Å; I219-L230 WeakPolarHBondContact O-CB 3.41Å; I219-L230 PolarHBondContact O-N 3.4Å; A221-L230 HydrophobicContact CB-CD1 4.15Å; A221-L230 HydrophobicContact CB-CD2 4.46Å; A221-L230 HydrophobicContact CB-CG 4.43Å; I228-L230 PolarHBondContact O-N 3.04Å; L230-M232 PolarHBondContact O-N 3.13Å; L230-C233 HydrophobicContact CB-CB 4.14Å; L230-C233 HydrophobicContact CD2-CB 4.23Å; L230-C233 PolarHBondContact O-N 2.93Å; L230-I241 HydrophobicContact CD1-CD1 4.09Å; L230-I241 HydrophobicContact CD1-CG2 4.31Å; L230-I241 HydrophobicContact CD2-CG2 4.27Å; L230-F245 HydrophobicContact CD2-CD2 4.35Å; L230-F245 HydrophobicContact CD2-CE2 3.69Å; L230-F245 HydrophobicContact CD2-CZ 4.31Å; L230-F256 HydrophobicContact CD1-CD1 3.94Å; L230-F256 HydrophobicContact CD1-CE1 3.85Å
231V89.3Confident93.1Very high72 Ų7250.7 Ų50.744%0.43628%0.281SS..THydrogen-bonded Turntrans-57.6-33.3-178.3172.70000112.7S229S229-V231 VanDerWaalsContact OG-CG2 3.31Å; S229-V231 WeakPolarHBondContact OG-CG2 3.49Å
232M90Very high92.9Very high186 Ų18651.6 Ų51.692%0.91629%0.285SS*.THydrogen-bonded Turntrans-98.213.7177.8-60.6-176.971.700113.5L230L230-M232 PolarHBondContact O-N 3.13Å
233C92.3Very high92.7Very high8 Ų851.5 Ų51.55%0.05430%0.297CS..  trans-115.825.6-172.7-62.20000112.6V179 L230 C235 M236V179-C233 HydrophobicContact CG2-CB 4.29Å; V179-C233 WeakPolarHBondContact CG2-O 3.36Å; L230-C233 HydrophobicContact CB-CB 4.14Å; L230-C233 HydrophobicContact CD2-CB 4.23Å; L230-C233 PolarHBondContact O-N 2.93Å; C233-C235 VanDerWaalsContact C-N 3.3Å; C233-C235 PolarHBondContact O-N 3.22Å; C233-M236 HydrophobicContact CB-CB 4.19Å; C233-M236 HydrophobicContact CB-CG 4.04Å; C233-M236 HydrophobicContact CB-SD 3.73Å; C233-M236 VanDerWaalsContact O-CB 3.3Å; C233-M236 WeakPolarHBondContact O-CB 3.34Å; C233-M236 PolarHBondContact O-N 3.45Å; C233-M236 VanDerWaalsContact SG-SD 3.64Å
234D91.8Very high92.7Very high68 Ų6856.7 Ų56.736%0.36432%0.319SS..THydrogen-bonded Turntrans-55-40.1-171.5-77.923.2000114.7T178 A180 R183T178-D234 WeakPolarHBondContact CB-O 3.3Å; A180-D234 HydrophobicContact CB-CB 4.44Å; A180-D234 WeakPolarHBondContact CB-O 3.03Å; A180-D234 PolarHBondContact N-O 3.48Å; A180-D234 VanDerWaalsContact N-O 3.1Å; R183-D234 IonicContact CZ-OD1 3.04Å; R183-D234 IonicContact CZ-OD2 2.66Å; R183-D234 IonicContact NH1-OD1 2.77Å; R183-D234 PolarHBondContact NH1-OD1 3.15Å; R183-D234 IonicContact NH1-OD2 3.76Å; R183-D234 PolarHBondContact NH1-OD2 3.18Å; R183-D234 IonicContact NH2-OD1 2.77Å; R183-D234 PolarHBondContact NH2-OD1 2.96Å; R183-D234 IonicContact NH2-OD2 3.95Å
235C95.2Very high92.9Very high116 Ų11655.6 Ų55.678%0.78430%0.303SS*.THydrogen-bonded Turntrans-83.9-11.417960.30000113.6C233 N237C233-C235 VanDerWaalsContact C-N 3.3Å; C233-C235 PolarHBondContact O-N 3.22Å; C235-N237 PolarHBondContact O-N 2.89Å
236M95.7Very high93.1Very high29 Ų2958.5 Ų58.514%0.14331%0.306CS..  trans-72.3128.9179.6-67-171.16600110T178 V179 C233 T240 I241 K244T178-M236 WeakPolarHBondContact CA-O 3.5Å; T178-M236 WeakPolarHBondContact CB-O 3.48Å; V179-M236 PolarHBondContact N-O 2.87Å; V179-M236 VanDerWaalsContact N-O 3.13Å; C233-M236 HydrophobicContact CB-CB 4.19Å; C233-M236 HydrophobicContact CB-CG 4.04Å; C233-M236 HydrophobicContact CB-SD 3.73Å; C233-M236 VanDerWaalsContact O-CB 3.3Å; C233-M236 WeakPolarHBondContact O-CB 3.34Å; C233-M236 PolarHBondContact O-N 3.45Å; C233-M236 VanDerWaalsContact SG-SD 3.64Å; M236-T240 WeakPolarHBondContact CA-OG1 3.28Å; M236-T240 WeakPolarHBondContact CB-OG1 3.36Å; M236-T240 VanDerWaalsContact CE-C 3.45Å; M236-T240 WeakPolarHBondContact CE-O 3.27Å; M236-I241 HydrophobicContact CB-CD1 4.49Å; M236-I241 HydrophobicContact CB-CG1 3.84Å; M236-I241 HydrophobicContact CE-CG1 4.28Å; M236-K244 HydrophobicContact CE-CB 3.87Å; M236-K244 HydrophobicContact CE-CD 3.48Å; M236-K244 VanDerWaalsContact CE-CD 3.48Å; M236-K244 HydrophobicContact CE-CG 4.32Å; M236-K244 HydrophobicContact SD-CD 3.82Å
237N95.4Very high93.1Very high33 Ų3359.5 Ų59.518%0.17633%0.325CS..BIsolated β-bridgetrans-79.8163.9169.867.530000111.6S175 C177 T178 C235 L239 T240 I241S175-N237 PolarHBondContact O-ND2 3.48Å; C177-N237 CarbonylContact O-C 3.59Å; C177-N237 WeakPolarHBondContact O-CA 3.22Å; C177-N237 WeakPolarHBondContact O-CB 3.48Å; T178-N237 HydrophobicContact CG2-CB 4.29Å; C235-N237 PolarHBondContact O-N 2.89Å; N237-L239 PolarHBondContact O-N 3.12Å; N237-L239 PolarHBondContact OD1-N 3.22Å; N237-T240 PolarHBondContact N-OG1 3.06Å; N237-T240 PolarHBondContact O-N 2.94Å; N237-T240 PolarHBondContact O-OG1 3.34Å; N237-T240 WeakPolarHBondContact OD1-CB 3.38Å; N237-T240 WeakPolarHBondContact OD1-CG2 3.22Å; N237-T240 PolarHBondContact OD1-N 3.49Å; N237-T240 PolarHBondContact OD1-OG1 3.22Å; N237-T240 VanDerWaalsContact OD1-OG1 3.05Å; N237-I241 WeakPolarHBondContact O-CG1 3.21Å; N237-I241 PolarHBondContact O-N 3.31Å
238I94.6Very high92.8Very high0 Ų063.3 Ų63.30%034%0.343CS..Hα-helixtrans-57.3-38.7-177.1-51.4-59.4000112.3I144 F146 A174 C177 I182 T240 I241 F242 L254 F256I144-I238 HydrophobicContact CD1-CB 3.59Å; I144-I238 HydrophobicContact CD1-CG1 4.01Å; I144-I238 HydrophobicContact CD1-CG2 3.2Å; F146-I238 HydrophobicContact CE1-CD1 4.07Å; F146-I238 HydrophobicContact CE1-CG1 4.08Å; A174-I238 PolarHBondContact O-N 3.46Å; C177-I238 HydrophobicContact CB-CG1 4.17Å; C177-I238 PolarHBondContact O-N 2.73Å; I182-I238 HydrophobicContact CD1-CD1 3.67Å; I182-I238 HydrophobicContact CG1-CD1 4.49Å; I238-T240 VanDerWaalsContact C-N 3.35Å; I238-T240 PolarHBondContact O-N 3.41Å; I238-I241 HydrophobicContact CD1-CD1 4.23Å; I238-I241 PolarHBondContact O-N 2.92Å; I238-F242 WeakPolarHBondContact O-CB 3.42Å; I238-F242 PolarHBondContact O-N 2.97Å; I238-L254 HydrophobicContact CG2-CD1 3.44Å; I238-L254 VanDerWaalsContact CG2-CD1 3.44Å; I238-F256 HydrophobicContact CD1-CE2 4.11Å; I238-F256 HydrophobicContact CD1-CZ 3.9Å; I238-F256 HydrophobicContact CG2-CZ 4.25Å
239L93.1Very high92.6Very high62 Ų6263.5 Ų63.533%0.32535%0.351SS..Hα-helixtrans-61.2-42.7177.6-175.565.3000112.2A174 N237 S243A174-L239 HydrophobicContact CB-CB 4.17Å; A174-L239 PolarHBondContact O-N 3.11Å; N237-L239 PolarHBondContact O-N 3.12Å; N237-L239 PolarHBondContact OD1-N 3.22Å; L239-S243 WeakPolarHBondContact O-CB 3.23Å; L239-S243 PolarHBondContact O-N 3.46Å; L239-S243 PolarHBondContact O-OG 3.08Å
240T94.6Very high92.4Very high56 Ų5660.8 Ų60.834%0.34433%0.332SS..Hα-helixtrans-69.9-37.4177.158.20000112.2M236 N237 I238 S243 K244M236-T240 WeakPolarHBondContact CA-OG1 3.28Å; M236-T240 WeakPolarHBondContact CB-OG1 3.36Å; M236-T240 VanDerWaalsContact CE-C 3.45Å; M236-T240 WeakPolarHBondContact CE-O 3.27Å; N237-T240 PolarHBondContact N-OG1 3.06Å; N237-T240 PolarHBondContact O-N 2.94Å; N237-T240 PolarHBondContact O-OG1 3.34Å; N237-T240 WeakPolarHBondContact OD1-CB 3.38Å; N237-T240 WeakPolarHBondContact OD1-CG2 3.22Å; N237-T240 PolarHBondContact OD1-N 3.49Å; N237-T240 PolarHBondContact OD1-OG1 3.22Å; N237-T240 VanDerWaalsContact OD1-OG1 3.05Å; I238-T240 VanDerWaalsContact C-N 3.35Å; I238-T240 PolarHBondContact O-N 3.41Å; T240-S243 PolarHBondContact O-N 2.85Å; T240-K244 WeakPolarHBondContact O-CB 3.34Å; T240-K244 PolarHBondContact O-N 3.25Å
241I94.4Very high92.1Very high0 Ų065.2 Ų65.20%036%0.359CS..Hα-helixtrans-61.4-49.9174.1-64.2165.7000109.3V179 L230 M236 N237 I238 S243 K244 F245 L250 F256V179-I241 HydrophobicContact CG2-CD1 3.37Å; V179-I241 HydrophobicContact CG2-CG1 4.33Å; L230-I241 HydrophobicContact CD1-CD1 4.09Å; L230-I241 HydrophobicContact CD1-CG2 4.31Å; L230-I241 HydrophobicContact CD2-CG2 4.27Å; M236-I241 HydrophobicContact CB-CD1 4.49Å; M236-I241 HydrophobicContact CB-CG1 3.84Å; M236-I241 HydrophobicContact CE-CG1 4.28Å; N237-I241 WeakPolarHBondContact O-CG1 3.21Å; N237-I241 PolarHBondContact O-N 3.31Å; I238-I241 HydrophobicContact CD1-CD1 4.23Å; I238-I241 PolarHBondContact O-N 2.92Å; I241-S243 PolarHBondContact O-N 3.45Å; I241-K244 PolarHBondContact O-N 3.15Å; I241-F245 HydrophobicContact CG2-CD2 3.84Å; I241-F245 HydrophobicContact CG2-CE2 4.32Å; I241-F245 VanDerWaalsContact O-CD2 3.29Å; I241-F245 WeakPolarHBondContact O-CD2 3.28Å; I241-F245 PolarHBondContact O-N 3.21Å; I241-L250 HydrophobicContact CG2-CD2 4.05Å; I241-F256 HydrophobicContact CG2-CE1 4.25Å
242F93.4Very high92Very high19 Ų1967 Ų678%0.08336%0.359CS..Hα-helixtrans-57.1-52.3177.1-178.4-106.4000111I238 K244 F245 R246 L250 Y252 L254I238-F242 WeakPolarHBondContact O-CB 3.42Å; I238-F242 PolarHBondContact O-N 2.97Å; F242-K244 VanDerWaalsContact C-N 3.32Å; F242-K244 PolarHBondContact O-N 3.47Å; F242-F245 PolarHBondContact O-N 2.94Å; F242-R246 HydrophobicContact CZ-CG 4.3Å; F242-R246 WeakPolarHBondContact O-CA 3.34Å; F242-R246 WeakPolarHBondContact O-CB 3.2Å; F242-R246 PolarHBondContact O-N 3.12Å; F242-L250 HydrophobicContact CD2-CD2 4.41Å; F242-L250 HydrophobicContact CD2-CG 4.3Å; F242-L250 WeakPolarHBondContact CE2-O 3.48Å; F242-Y252 HydrophobicContact CD1-CE2 4.27Å; F242-Y252 AromaticContact CD2-CE2 3.96Å; F242-Y252 HydrophobicContact CD2-CE2 3.96Å; F242-Y252 AromaticContact CE1-CE2 3.84Å; F242-Y252 HydrophobicContact CE1-CE2 3.84Å; F242-Y252 AromaticContact CE2-CD2 3.79Å; F242-Y252 HydrophobicContact CE2-CD2 3.79Å; F242-Y252 AromaticContact CE2-CE2 3.52Å; F242-Y252 HydrophobicContact CE2-CE2 3.52Å; F242-Y252 HydrophobicContact CG-CE2 4.32Å; F242-Y252 AromaticContact CZ-CD2 3.86Å; F242-Y252 HydrophobicContact CZ-CD2 3.86Å; F242-Y252 AromaticContact CZ-CE2 3.45Å; F242-Y252 HydrophobicContact CZ-CE2 3.45Å; F242-Y252 VanDerWaalsContact CZ-CE2 3.45Å; F242-L254 HydrophobicContact CD2-CD2 3.92Å
243S92.1Very high91.9Very high80 Ų8061.6 Ų61.656%0.55934%0.337SS*.Hα-helixtrans-60.1-39.7-179.5-56.10000112.9L239 T240 I241L239-S243 WeakPolarHBondContact O-CB 3.23Å; L239-S243 PolarHBondContact O-N 3.46Å; L239-S243 PolarHBondContact O-OG 3.08Å; T240-S243 PolarHBondContact O-N 2.85Å; I241-S243 PolarHBondContact O-N 3.45Å
244K92.2Very high91.9Very high111 Ų11161.2 Ų61.248%0.48334%0.335SS..Hα-helixtrans-70.4-41.1-179.5-176.6176.9-179.7-179.80112.8M236 T240 I241 F242M236-K244 HydrophobicContact CE-CB 3.87Å; M236-K244 HydrophobicContact CE-CD 3.48Å; M236-K244 VanDerWaalsContact CE-CD 3.48Å; M236-K244 HydrophobicContact CE-CG 4.32Å; M236-K244 HydrophobicContact SD-CD 3.82Å; T240-K244 WeakPolarHBondContact O-CB 3.34Å; T240-K244 PolarHBondContact O-N 3.25Å; I241-K244 PolarHBondContact O-N 3.15Å; F242-K244 VanDerWaalsContact C-N 3.32Å; F242-K244 PolarHBondContact O-N 3.47Å
245F92.4Very high92.1Very high16 Ų1659.6 Ų59.67%0.0733%0.325CS..Hα-helixtrans-106.82.5-172-59.6-66.7000113.9I228 L230 I241 F242 C247 Q248 L250I228-F245 HydrophobicContact CD1-CB 3.93Å; I228-F245 HydrophobicContact CD1-CD1 3.94Å; I228-F245 HydrophobicContact CD1-CG 4.04Å; I228-F245 HydrophobicContact CG2-CD1 4Å; I228-F245 HydrophobicContact CG2-CE1 3.72Å; I228-F245 HydrophobicContact CG2-CE2 4.39Å; I228-F245 HydrophobicContact CG2-CG 4.44Å; I228-F245 HydrophobicContact CG2-CZ 3.93Å; L230-F245 HydrophobicContact CD2-CD2 4.35Å; L230-F245 HydrophobicContact CD2-CE2 3.69Å; L230-F245 HydrophobicContact CD2-CZ 4.31Å; I241-F245 HydrophobicContact CG2-CD2 3.84Å; I241-F245 HydrophobicContact CG2-CE2 4.32Å; I241-F245 VanDerWaalsContact O-CD2 3.29Å; I241-F245 WeakPolarHBondContact O-CD2 3.28Å; I241-F245 PolarHBondContact O-N 3.21Å; F242-F245 PolarHBondContact O-N 2.94Å; F245-C247 VanDerWaalsContact C-N 3.26Å; F245-C247 PolarHBondContact O-N 3.23Å; F245-Q248 WeakPolarHBondContact O-CA 3.36Å; F245-Q248 WeakPolarHBondContact O-CB 3.39Å; F245-Q248 PolarHBondContact O-N 3.46Å; F245-L250 HydrophobicContact CB-CB 4.18Å; F245-L250 HydrophobicContact CB-CD2 3.88Å; F245-L250 WeakPolarHBondContact O-CB 3.37Å; F245-L250 PolarHBondContact O-N 2.9Å
246R91.3Very high92.2Very high162 Ų16254 Ų5461%0.61129%0.288SS*.G310 helixtrans-54.9-41.3174.9-179.9176.3-178137.53.2112.2F242 Q248 G249F242-R246 HydrophobicContact CZ-CG 4.3Å; F242-R246 WeakPolarHBondContact O-CA 3.34Å; F242-R246 WeakPolarHBondContact O-CB 3.2Å; F242-R246 PolarHBondContact O-N 3.12Å; R246-Q248 PolarHBondContact O-N 3.31Å; R246-G249 PolarHBondContact O-N 2.82Å; R246-G249 VanDerWaalsContact O-N 3.14Å
247C89.3Confident92.3Very high114 Ų11453.9 Ų53.977%0.7729%0.285SS*.G310 helixtrans-66.3-16.2177.159.20000113.7F245F245-C247 VanDerWaalsContact C-N 3.26Å; F245-C247 PolarHBondContact O-N 3.23Å
248Q88.9Confident92.4Very high112 Ų11252.3 Ų52.352%0.52328%0.277SS..G310 helixtrans-93.86.7176.5-58.4-176.44.700112.7A223 I228 F245 R246A223-Q248 WeakPolarHBondContact CB-O 3.5Å; I228-Q248 HydrophobicContact CD1-CB 4.13Å; I228-Q248 VanDerWaalsContact CD1-OE1 3.25Å; F245-Q248 WeakPolarHBondContact O-CA 3.36Å; F245-Q248 WeakPolarHBondContact O-CB 3.39Å; F245-Q248 PolarHBondContact O-N 3.46Å; R246-Q248 PolarHBondContact O-N 3.31Å
249G88.6Confident92.5Very high30 Ų3053.9 Ų53.931%0.30928%0.284SS..THydrogen-bonded Turntrans92.916.9178.300000114.7A223 G224 R246 T251A223-G249 WeakPolarHBondContact CA-O 3.49Å; G224-G249 PolarHBondContact N-O 2.82Å; R246-G249 PolarHBondContact O-N 2.82Å; R246-G249 VanDerWaalsContact O-N 3.14Å; G249-T251 PolarHBondContact O-N 2.83Å
250L90.4Very high92.6Very high3 Ų351.5 Ų51.52%0.01627%0.271CS..  trans-69.8109.7169.6-173.661.3000109.4A221 R222 A223 I241 F242 F245 L254A221-L250 HydrophobicContact CB-CD1 4.06Å; A221-L250 HydrophobicContact CB-CD2 4.49Å; R222-L250 WeakPolarHBondContact O-CD1 3.24Å; A223-L250 HydrophobicContact CB-CB 4.4Å; I241-L250 HydrophobicContact CG2-CD2 4.05Å; F242-L250 HydrophobicContact CD2-CD2 4.41Å; F242-L250 HydrophobicContact CD2-CG 4.3Å; F242-L250 WeakPolarHBondContact CE2-O 3.48Å; F245-L250 HydrophobicContact CB-CB 4.18Å; F245-L250 HydrophobicContact CB-CD2 3.88Å; F245-L250 WeakPolarHBondContact O-CB 3.37Å; F245-L250 PolarHBondContact O-N 2.9Å; L250-L254 HydrophobicContact CD1-CD2 3.76Å; L250-L254 HydrophobicContact CD2-CD2 4.16Å; L250-L254 HydrophobicContact CG-CD2 3.75Å
251T88.2Confident92.5Very high93 Ų9350.3 Ų50.357%0.57126%0.261SS*.  trans-117.1164.1-176.454.30000111.9G249 P253G249-T251 PolarHBondContact O-N 2.83Å; T251-P253 CarbonylContact O-C 3.49Å
252Y87.1Confident92.2Very high109 Ų10953.4 Ų53.443%0.42728%0.276SS..SBendtrans-83.8148.7167.3-75.9-80.9000110.7F242 L254F242-Y252 HydrophobicContact CD1-CE2 4.27Å; F242-Y252 AromaticContact CD2-CE2 3.96Å; F242-Y252 HydrophobicContact CD2-CE2 3.96Å; F242-Y252 AromaticContact CE1-CE2 3.84Å; F242-Y252 HydrophobicContact CE1-CE2 3.84Å; F242-Y252 AromaticContact CE2-CD2 3.79Å; F242-Y252 HydrophobicContact CE2-CD2 3.79Å; F242-Y252 AromaticContact CE2-CE2 3.52Å; F242-Y252 HydrophobicContact CE2-CE2 3.52Å; F242-Y252 HydrophobicContact CG-CE2 4.32Å; F242-Y252 AromaticContact CZ-CD2 3.86Å; F242-Y252 HydrophobicContact CZ-CD2 3.86Å; F242-Y252 AromaticContact CZ-CE2 3.45Å; F242-Y252 HydrophobicContact CZ-CE2 3.45Å; F242-Y252 VanDerWaalsContact CZ-CE2 3.45Å; Y252-L254 HydrophobicContact CD1-CD1 4.42Å; Y252-L254 HydrophobicContact CD1-CG 3.86Å; Y252-L254 HydrophobicContact CE1-CD1 3.73Å; Y252-L254 HydrophobicContact CE1-CG 3.68Å
253P88Confident91.6Very high73 Ų7358 Ų5847%0.47430%0.3SS..SBendcis-69.1137.5-5.629.6-34.5000111.5Y147 T251 Q255Y147-P253 HydrophobicContact CD2-CB 4.34Å; Y147-P253 HydrophobicContact CE2-CB 3.91Å; Y147-P253 HydrophobicContact CE2-CG 4.15Å; T251-P253 CarbonylContact O-C 3.49Å; P253-Q255 PolarHBondContact O-N 3.24Å
254L93.2Very high90.5Very high0 Ų057.2 Ų57.20%031%0.305CS..EExtended strand (participates in β ladder)trans-64.2131.7-179.5-72.1176.3000110I144 F146 Y147 I238 F242 L250 Y252 F256I144-L254 HydrophobicContact CD1-CD1 4.35Å; F146-L254 VanDerWaalsContact CA-O 3.3Å; F146-L254 WeakPolarHBondContact CA-O 3.45Å; F146-L254 HydrophobicContact CB-CB 3.76Å; F146-L254 VanDerWaalsContact CB-O 3.31Å; F146-L254 WeakPolarHBondContact CB-O 3.43Å; Y147-L254 PolarHBondContact N-O 3.34Å; I238-L254 HydrophobicContact CG2-CD1 3.44Å; I238-L254 VanDerWaalsContact CG2-CD1 3.44Å; F242-L254 HydrophobicContact CD2-CD2 3.92Å; L250-L254 HydrophobicContact CD1-CD2 3.76Å; L250-L254 HydrophobicContact CD2-CD2 4.16Å; L250-L254 HydrophobicContact CG-CD2 3.75Å; Y252-L254 HydrophobicContact CD1-CD1 4.42Å; Y252-L254 HydrophobicContact CD1-CG 3.86Å; Y252-L254 HydrophobicContact CE1-CD1 3.73Å; Y252-L254 HydrophobicContact CE1-CG 3.68Å; L254-F256 HydrophobicContact CB-CE2 4.13Å
255Q95.3Very high89.2Confident33 Ų3355.4 Ų55.415%0.15430%0.303CS..EExtended strand (participates in β ladder)trans-123.6125.1175.6-62.81771900108.8Y147 R222 P253Y147-Q255 HydrophobicContact CD2-CG 4.17Å; R222-Q255 HydrophobicContact CB-CB 4.05Å; R222-Q255 WeakPolarHBondContact CB-O 3.47Å; R222-Q255 PolarHBondContact N-O 3.08Å; P253-Q255 PolarHBondContact O-N 3.24Å
256F97.2Very high87.1Confident0 Ų060.9 Ų60.90%034%0.338CS..EExtended strand (participates in β ladder)trans-113.2147.4170.2-57.1-87000110.1F146 Y147 L148 R149 I219 F220 A221 L230 I238 I241 L254F146-F256 HydrophobicContact CB-CD2 4.09Å; F146-F256 HydrophobicContact CB-CE2 3.95Å; F146-F256 HydrophobicContact CD1-CE2 4.13Å; F146-F256 AromaticContact CD2-CD2 3.66Å; F146-F256 HydrophobicContact CD2-CD2 3.66Å; F146-F256 AromaticContact CD2-CE2 4Å; F146-F256 HydrophobicContact CD2-CE2 4Å; F146-F256 HydrophobicContact CE2-CD2 4.23Å; F146-F256 AromaticContact CG-CD2 3.89Å; F146-F256 HydrophobicContact CG-CD2 3.89Å; F146-F256 AromaticContact CG-CE2 3.78Å; F146-F256 HydrophobicContact CG-CE2 3.78Å; Y147-F256 PolarHBondContact O-N 3.35Å; L148-F256 CarbonylContact C-O 3.56Å; L148-F256 WeakPolarHBondContact CA-O 3.31Å; L148-F256 HydrophobicContact CD2-CB 3.7Å; L148-F256 HydrophobicContact CD2-CD2 4.29Å; L148-F256 HydrophobicContact CD2-CG 4.37Å; R149-F256 PolarHBondContact N-O 3.02Å; I219-F256 HydrophobicContact CG2-CB 4.19Å; I219-F256 HydrophobicContact CG2-CD1 4.21Å; F220-F256 CarbonylContact O-C 3.55Å; F220-F256 WeakPolarHBondContact O-CA 3.49Å; F220-F256 WeakPolarHBondContact O-CB 3.48Å; A221-F256 HydrophobicContact CB-CD1 3.97Å; A221-F256 HydrophobicContact CB-CE1 3.9Å; L230-F256 HydrophobicContact CD1-CD1 3.94Å; L230-F256 HydrophobicContact CD1-CE1 3.85Å; I238-F256 HydrophobicContact CD1-CE2 4.11Å; I238-F256 HydrophobicContact CD1-CZ 3.9Å; I238-F256 HydrophobicContact CG2-CZ 4.25Å; I241-F256 HydrophobicContact CG2-CE1 4.25Å; L254-F256 HydrophobicContact CB-CE2 4.13Å
257Y98Very high85Confident25 Ų2555.9 Ų55.910%0.09834%0.337CS..EExtended strand (participates in β ladder)trans-111.3142.2173.2-71.3-102.8000109.4R149 A150 I219 F220 R222 L227R149-Y257 HydrophobicContact CB-CD1 3.83Å; R149-Y257 HydrophobicContact CB-CE1 3.72Å; R149-Y257 HydrophobicContact CB-CG 4.44Å; R149-Y257 CarbonylContact O-C 3.54Å; R149-Y257 WeakPolarHBondContact O-CA 3.41Å; A150-Y257 WeakPolarHBondContact O-CD1 3.41Å; I219-Y257 CarbonylContact C-O 3.48Å; I219-Y257 WeakPolarHBondContact CA-O 3.36Å; F220-Y257 PolarHBondContact N-O 2.69Å; F220-Y257 PolarHBondContact O-N 3.13Å; R222-Y257 HydrophobicContact CB-CD2 4.32Å; R222-Y257 HydrophobicContact CB-CE2 3.98Å; R222-Y257 HydrophobicContact CG-CE2 4.37Å; L227-Y257 HydrophobicContact CD1-CD2 4.47Å; L227-Y257 HydrophobicContact CD1-CG 4.25Å; L227-Y257 HydrophobicContact CD2-CD2 3.43Å; L227-Y257 VanDerWaalsContact CD2-CD2 3.43Å; L227-Y257 HydrophobicContact CD2-CE2 3.86Å; L227-Y257 HydrophobicContact CD2-CG 4.02Å
258Y97.5Very high82.7Confident0 Ų059 Ų590%034%0.338CS..EExtended strand (participates in β ladder)trans-113.6144.717460.2-95000111.1L148 R149 A150 H151 M154 L164 L165 K166 L186 S218 Y260L148-Y258 HydrophobicContact CB-CD1 4.16Å; L148-Y258 HydrophobicContact CB-CE1 4.29Å; R149-Y258 WeakPolarHBondContact O-CD1 3.46Å; R149-Y258 WeakPolarHBondContact O-CE1 3.37Å; R149-Y258 PolarHBondContact O-N 3.05Å; A150-Y258 HydrophobicContact CB-CE2 3.98Å; H151-Y258 WeakPolarHBondContact CB-O 3.41Å; H151-Y258 PolarHBondContact N-O 3.45Å; M154-Y258 HydrophobicContact CE-CD2 3.92Å; M154-Y258 HydrophobicContact CE-CE2 4.18Å; M154-Y258 WeakPolarHBondContact CE-O 3.39Å; L164-Y258 PolarHBondContact O-OH 2.54Å; L165-Y258 VanDerWaalsContact C-OH 3.31Å; K166-Y258 PolarHBondContact O-OH 2.95Å; L186-Y258 HydrophobicContact CD1-CD1 4.12Å; L186-Y258 HydrophobicContact CD1-CG 3.9Å; L186-Y258 HydrophobicContact CD2-CD1 3.76Å; L186-Y258 HydrophobicContact CD2-CE1 4Å; L186-Y258 HydrophobicContact CD2-CG 4.08Å; S218-Y258 CarbonylContact O-C 3.56Å; S218-Y258 VanDerWaalsContact O-CA 3.31Å; S218-Y258 WeakPolarHBondContact O-CA 3.49Å; Y258-Y260 HydrophobicContact CD2-CD1 4.3Å; Y258-Y260 AromaticContact CD2-CE1 3.71Å; Y258-Y260 HydrophobicContact CD2-CE1 3.71Å; Y258-Y260 HydrophobicContact CD2-CE2 4.13Å; Y258-Y260 AromaticContact CD2-CZ 3.63Å; Y258-Y260 HydrophobicContact CE2-CE1 4.15Å; Y258-Y260 AromaticContact CE2-CE2 3.81Å; Y258-Y260 HydrophobicContact CE2-CE2 3.81Å; Y258-Y260 AromaticContact CE2-CZ 3.56Å; Y258-Y260 WeakPolarHBondContact CE2-OH 3.47Å
259F96.3Very high80.5Confident34 Ų3456.8 Ų56.815%0.14934%0.339CS..EExtended strand (participates in β ladder)trans-125.2127.1172.2-167-84.6000110.7H151 M154 I217 S218 F220 H261 I270H151-F259 HydrophobicContact CB-CB 4.24Å; H151-F259 HydrophobicContact CB-CD2 3.87Å; M154-F259 HydrophobicContact CB-CD2 4.36Å; M154-F259 HydrophobicContact CB-CE2 4.29Å; M154-F259 HydrophobicContact CE-CB 4.35Å; M154-F259 HydrophobicContact CE-CD2 4.32Å; M154-F259 HydrophobicContact CE-CG 4.38Å; I217-F259 CarbonylContact C-O 3.5Å; I217-F259 WeakPolarHBondContact CA-O 3.35Å; S218-F259 PolarHBondContact N-O 2.7Å; S218-F259 PolarHBondContact O-N 3.2Å; F220-F259 HydrophobicContact CE2-CB 3.85Å; F259-H261 AromaticContact CD1-CD2 3.89Å; F259-H261 AromaticContact CD1-CE1 3.75Å; F259-H261 AromaticContact CD1-ND1 3.98Å; F259-H261 AromaticContact CD1-NE2 3.68Å; F259-H261 AromaticContact CE1-ND1 3.94Å; F259-I270 HydrophobicContact CD1-CD1 4.1Å; F259-I270 HydrophobicContact CE1-CD1 4.48Å; F259-I270 HydrophobicContact CG-CD1 4.36Å
260Y95.6Very high78.5Confident11 Ų1159.3 Ų59.34%0.04334%0.344CS..EExtended strand (participates in β ladder)trans-92.4125.3174.7-59-36.1000109.9M154 L164 S190 I214 I217 Y258M154-Y260 HydrophobicContact CE-CD2 4.09Å; M154-Y260 HydrophobicContact CE-CG 4.14Å; M154-Y260 HydrophobicContact SD-CD2 3.54Å; M154-Y260 VanDerWaalsContact SD-CD2 3.54Å; M154-Y260 HydrophobicContact SD-CE2 4.14Å; M154-Y260 HydrophobicContact SD-CG 4.1Å; L164-Y260 HydrophobicContact CB-CE2 4.15Å; S190-Y260 PolarHBondContact OG-OH 2.95Å; S190-Y260 VanDerWaalsContact OG-OH 3.05Å; I214-Y260 HydrophobicContact CD1-CD1 4.22Å; I214-Y260 HydrophobicContact CD1-CD2 4.14Å; I214-Y260 HydrophobicContact CD1-CE1 4.21Å; I214-Y260 HydrophobicContact CD1-CE2 4.14Å; I214-Y260 HydrophobicContact CD1-CG 4.18Å; I214-Y260 HydrophobicContact CG1-CD1 4.35Å; I214-Y260 HydrophobicContact CG1-CD2 4.29Å; I214-Y260 HydrophobicContact CG1-CG 4.06Å; I214-Y260 HydrophobicContact CG2-CD1 4.07Å; I214-Y260 HydrophobicContact CG2-CG 4.49Å; I217-Y260 HydrophobicContact CD1-CD1 4.26Å; I217-Y260 HydrophobicContact CD1-CE1 4.01Å; I217-Y260 HydrophobicContact CG1-CD1 3.95Å; I217-Y260 HydrophobicContact CG1-CE1 4.19Å; I217-Y260 HydrophobicContact CG2-CD1 4.14Å; I217-Y260 HydrophobicContact CG2-CE1 4.18Å; Y258-Y260 HydrophobicContact CD2-CD1 4.3Å; Y258-Y260 AromaticContact CD2-CE1 3.71Å; Y258-Y260 HydrophobicContact CD2-CE1 3.71Å; Y258-Y260 HydrophobicContact CD2-CE2 4.13Å; Y258-Y260 AromaticContact CD2-CZ 3.63Å; Y258-Y260 HydrophobicContact CE2-CE1 4.15Å; Y258-Y260 AromaticContact CE2-CE2 3.81Å; Y258-Y260 HydrophobicContact CE2-CE2 3.81Å; Y258-Y260 AromaticContact CE2-CZ 3.56Å; Y258-Y260 WeakPolarHBondContact CE2-OH 3.47Å
261H92.3Very high76Confident31 Ų3170.6 Ų70.614%0.14439%0.386CS..EExtended strand (participates in β ladder)trans-97.9136.1176.1-67.7-89.4000110.3D215 Q216 S218 F259 I270D215-H261 WeakPolarHBondContact CB-O 3.43Å; D215-H261 PolarHBondContact N-O 3.31Å; Q216-H261 HydrophobicContact CB-CB 4.16Å; Q216-H261 PolarHBondContact O-N 2.97Å; S218-H261 PolarHBondContact OG-NE2 3.33Å; F259-H261 AromaticContact CD1-CD2 3.89Å; F259-H261 AromaticContact CD1-CE1 3.75Å; F259-H261 AromaticContact CD1-ND1 3.98Å; F259-H261 AromaticContact CD1-NE2 3.68Å; F259-H261 AromaticContact CE1-ND1 3.94Å; H261-I270 WeakPolarHBondContact CE1-CD1 3.36Å
262E88.8Confident73.5Confident65 Ų6570.3 Ų70.330%0.30439%0.385SS..PPolyproline II helixtrans-90.3150.4174.3-56.8-166.8164.800110.8R213 G264 T265R213-E262 WeakPolarHBondContact CD-OE1 3.41Å; R213-E262 IonicContact CZ-OE1 3.43Å; R213-E262 IonicContact NE-OE1 3.73Å; R213-E262 IonicContact NH1-OE1 3.12Å; R213-E262 PolarHBondContact NH1-OE1 3.34Å; R213-E262 IonicContact NH1-OE2 3.25Å; R213-E262 PolarHBondContact NH1-OE2 2.91Å; E262-G264 PolarHBondContact O-N 3.46Å; E262-T265 HydrophobicContact CB-CG2 4.27Å; E262-T265 PolarHBondContact N-OG1 3.08Å; E262-T265 PolarHBondContact O-N 3.43Å; E262-T265 VanDerWaalsContact O-N 3.08Å; E262-T265 PolarHBondContact O-OG1 3.06Å
263I80.3Confident71.1Confident115 Ų11572.5 Ų72.559%0.5940%0.399SS*.THydrogen-bonded Turntrans-56.2126.3175-59.8178000109.1R211 D215R211-I263 WeakPolarHBondContact O-CD1 3.23Å; D215-I263 HydrophobicContact CB-CG1 3.7Å
264G70.6Confident68.7Low65 Ų6570.6 Ų70.667%0.6739%0.387SS*.THydrogen-bonded Turntrans91.1-3.6178.600000115.2E262 T266E262-G264 PolarHBondContact O-N 3.46Å; G264-T266 PolarHBondContact O-N 3.06Å
265T64.7Low65.9Low72 Ų7279.8 Ų79.844%0.44244%0.435SS..  trans-84.734.6169.156.80000112.6E262 G267E262-T265 HydrophobicContact CB-CG2 4.27Å; E262-T265 PolarHBondContact N-OG1 3.08Å; E262-T265 PolarHBondContact O-N 3.43Å; E262-T265 VanDerWaalsContact O-N 3.08Å; E262-T265 PolarHBondContact O-OG1 3.06Å; T265-G267 PolarHBondContact O-N 2.83Å
266T46.6Very low63Low132 Ų13280 Ų8081%0.8144%0.44SS*.  trans-77.799.7169.949.50000109.2G264G264-T266 PolarHBondContact O-N 3.06Å
267G48.3Very low60.2Low57 Ų5786.2 Ų86.259%0.58848%0.48SS*.SBendtrans154.1-27154.500000120.2T265T265-G267 PolarHBondContact O-N 2.83Å
268F40.8Very low57.4Low179 Ų17986.6 Ų86.679%0.78548%0.484SS*.SBendtrans-132-22.4-169.4-83.9-86.2000117.1T272F268-T272 WeakPolarHBondContact O-CG2 3.3Å; F268-T272 PolarHBondContact O-OG1 2.83Å
269A42.4Very low54.2Low65 Ų6594.2 Ų94.254%0.53752%0.517SS..THydrogen-bonded Turntrans-82.4-17.2-168.800000116.4T272A269-T272 PolarHBondContact O-OG1 3.35Å
270I45.9Very low51.3Low83 Ų8397.5 Ų97.543%0.42654%0.535SS..THydrogen-bonded Turntrans-109.7-6.1178.3-56.3-158.4000113.2F220 F259 H261F220-I270 HydrophobicContact CZ-CD1 4.2Å; F259-I270 HydrophobicContact CD1-CD1 4.1Å; F259-I270 HydrophobicContact CE1-CD1 4.48Å; F259-I270 HydrophobicContact CG-CD1 4.36Å; H261-I270 WeakPolarHBondContact CE1-CD1 3.36Å
271R39.6Very low48.2Very low240 Ų240101.2 Ų101.291%0.90656%0.563SS**THydrogen-bonded Turntrans-80.1-20.2159.2-94-169.7175.6-139.60.2112.3Q273R271-Q273 PolarHBondContact O-N 3.3Å
272T34Very low45.3Very low87 Ų87103 Ų10353%0.53459%0.59SS.*SBendtrans-83.5111.4174.748.20000110.5F268 A269F268-T272 WeakPolarHBondContact O-CG2 3.3Å; F268-T272 PolarHBondContact O-OG1 2.83Å; A269-T272 PolarHBondContact O-OG1 3.35Å
273Q38.3Very low42.7Very low155 Ų155105.6 Ų105.672%0.72461%0.609SS**  trans-23.2125.1159.3-73.8163.1-24.900112.6R271 L275R271-Q273 PolarHBondContact O-N 3.3Å; Q273-L275 PolarHBondContact O-N 3.33Å
274P36.9Very low40.4Very low34 Ų34107.9 Ų107.922%0.22162%0.623CS.*  trans-64.2123.8167.89.3-3000109S276 I280P274-S276 PolarHBondContact O-N 3.2Å; P274-I280 HydrophobicContact CG-CD1 3.92Å
275L33.6Very low38.9Very low192 Ų192113.8 Ų113.8100%1.00563%0.63SS**SBendtrans-71.170.9159.9-82.2151.7000108.6Q273Q273-L275 PolarHBondContact O-N 3.33Å
276S34.4Very low37.6Very low39 Ų39117.5 Ų117.527%0.27368%0.683SS.*SBendtrans-142.9157.2159.2600000107.5P274 I278P274-S276 PolarHBondContact O-N 3.2Å; S276-I278 PolarHBondContact O-N 3.11Å
277P39Very low37.1Very low129 Ų129116.8 Ų116.884%0.83868%0.677SS**SBendtrans-70.316.9-165.4-12.327.3000115.3K279P277-K279 PolarHBondContact O-N 3.24Å
278I40.6Very low36.5Very low33 Ų33119.9 Ų119.917%0.16968%0.681CS.*  trans-88.987.2172.1-72.4172.3000105.3D225 S276D225-I278 WeakPolarHBondContact O-CA 3.38Å; D225-I278 WeakPolarHBondContact O-CB 3.42Å; D225-I278 WeakPolarHBondContact O-CG1 3.37Å; D225-I278 WeakPolarHBondContact O-CG2 3.24Å; S276-I278 PolarHBondContact O-N 3.11Å
279K28.9Very low36.3Very low161 Ų161116.6 Ų116.670%0.768%0.675SS**  trans-51.9146.1175.5-80.7179175.7175.80108.4Y226 P277Y226-K279 WeakPolarHBondContact CD1-O 3.19Å; Y226-K279 HydrophobicContact CE1-CB 4.22Å; Y226-K279 WeakPolarHBondContact CE1-O 3.48Å; P277-K279 PolarHBondContact O-N 3.24Å
280I34.9Very low35.9Very low103 Ų103119.6 Ų119.653%0.52868%0.684SS.*  trans-113.1113.4166.5-62.2179.4000105.5P274P274-I280 HydrophobicContact CG-CD1 3.92Å
281S32.4Very low35.3Very low89 Ų89121.9 Ų121.962%0.62270%0.7SS**  trans-122.5120.317359.80000110.5
282G30.6Very low35Very low69 Ų69114.1 Ų114.171%0.71169%0.686SS**  trans101.187.8150.500000116.7
283V35Very low35.1Very low119 Ų119116 Ų11672%0.72170%0.697SS**  trans-14087.8137.7-158.40000107.1F285V283-F285 HydrophobicContact CB-CE2 4.38Å; V283-F285 HydrophobicContact CG1-CD2 4.24Å; V283-F285 HydrophobicContact CG1-CE2 3.83Å; V283-F285 HydrophobicContact CG1-CZ 4.07Å; V283-F285 PolarHBondContact O-N 3.1Å
284D30.8Very low34.9Very low163 Ų163113 Ų11387%0.87270%0.695SS**  trans-66.2111.5160.3-74.7-38000106.9
285F39.7Very low34.7Very low188 Ų188119.6 Ų119.683%0.82573%0.734SS**  trans-83.3116.6154.3-70.7-83.6000105.3V283V283-F285 HydrophobicContact CB-CE2 4.38Å; V283-F285 HydrophobicContact CG1-CD2 4.24Å; V283-F285 HydrophobicContact CG1-CE2 3.83Å; V283-F285 HydrophobicContact CG1-CZ 4.07Å; V283-F285 PolarHBondContact O-N 3.1Å
286G36.7Very low34.8Very low150 Ų150113 Ų113100%1.54671%0.71SS**  trans-54.90172.200000112.8

Retrieved 286 of 286 residues in 172.1 ms (Link to these results)

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