A0A087XIF7_POEFO Loading...

Glycosyltransferase 8 domain containing 2

AlphaFold DB , UniProt , Accession A0A087XIF7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 359 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
1M58.3Low69.5Low199 Ų199124 Ų12498%0.9863%0.631SS**  0-24.20-76.1172.979.500117.2
2P59.1Low70.8Confident102 Ų102121.2 Ų121.266%0.66262%0.617SS**Hα-helixtrans-77.6-25.7179.427.5-31.5000114.3K6P2-K6 PolarHBondContact O-N 3.06Å
3L60.3Low72.1Confident127 Ų127122.2 Ų122.267%0.66562%0.621SS**Hα-helixtrans-68.3-42.2179.6-145.484.4000112.4K5 K6 I7L3-K5 PolarHBondContact O-N 3.39Å; L3-K6 PolarHBondContact O-N 2.92Å; L3-I7 WeakPolarHBondContact O-CG1 2.95Å; L3-I7 PolarHBondContact O-N 3.04Å
4L59Low73.2Confident135 Ų135120.9 Ų120.971%0.70762%0.615SS**Hα-helixtrans-65-36.1177-87110.1000112.8I7 N8L4-I7 PolarHBondContact O-N 3.28Å; L4-N8 WeakPolarHBondContact O-CB 3.14Å; L4-N8 PolarHBondContact O-N 2.75Å
5K64.8Low74.1Confident158 Ų158120.5 Ų120.569%0.68761%0.614SS**Hα-helixtrans-65.1-40.1174.7-83.9-173174.6-177.50111.8L3 N8 Q9L3-K5 PolarHBondContact O-N 3.39Å; K5-N8 PolarHBondContact O-N 3.15Å; K5-Q9 WeakPolarHBondContact O-CG 3.44Å; K5-Q9 PolarHBondContact O-N 3.38Å
6K67.9Low75Confident144 Ų144118.3 Ų118.363%0.62661%0.608SS**Hα-helixtrans-65.2-43.3175.2-77.1-173.7175.4-175.40112.1P2 L3 N8 Q9 V10P2-K6 PolarHBondContact O-N 3.06Å; L3-K6 PolarHBondContact O-N 2.92Å; K6-N8 VanDerWaalsContact C-N 3.34Å; K6-N8 PolarHBondContact O-N 2.76Å; K6-Q9 PolarHBondContact O-N 2.78Å; K6-V10 WeakPolarHBondContact O-CG2 3.33Å; K6-V10 PolarHBondContact O-N 2.84Å
7I72.1Confident75.8Confident95 Ų95117.1 Ų117.149%0.48760%0.602SS.*Hα-helixtrans-62.7-42.1177.3-67165.5000110.9L3 L4 Q9 V10 L11L3-I7 WeakPolarHBondContact O-CG1 2.95Å; L3-I7 PolarHBondContact O-N 3.04Å; L4-I7 PolarHBondContact O-N 3.28Å; I7-Q9 PolarHBondContact O-N 3.23Å; I7-V10 PolarHBondContact O-N 3.34Å; I7-L11 HydrophobicContact CG2-CD1 3.95Å; I7-L11 WeakPolarHBondContact O-CG 3.34Å; I7-L11 PolarHBondContact O-N 3.34Å
8N76.1Confident76.5Confident97 Ų97116.2 Ų116.252%0.51960%0.598SS.*Hα-helixtrans-66.4-37.2178.4-15828.6000112.4L4 K5 K6 L11 I12L4-N8 WeakPolarHBondContact O-CB 3.14Å; L4-N8 PolarHBondContact O-N 2.75Å; K5-N8 PolarHBondContact O-N 3.15Å; K6-N8 VanDerWaalsContact C-N 3.34Å; K6-N8 PolarHBondContact O-N 2.76Å; N8-L11 PolarHBondContact O-N 3.28Å; N8-I12 WeakPolarHBondContact O-CD1 3.5Å; N8-I12 VanDerWaalsContact O-CG1 3.24Å; N8-I12 WeakPolarHBondContact O-CG1 3.37Å; N8-I12 PolarHBondContact O-N 2.93Å
9Q78.9Confident76.9Confident128 Ų128112.6 Ų112.660%0.59859%0.587SS**Hα-helixtrans-65.6-39.1174.6-76.1174.8-24.500112.5K5 K6 I7 M13K5-Q9 WeakPolarHBondContact O-CG 3.44Å; K5-Q9 PolarHBondContact O-N 3.38Å; K6-Q9 PolarHBondContact O-N 2.78Å; I7-Q9 PolarHBondContact O-N 3.23Å; Q9-M13 PolarHBondContact O-N 3.42Å
10V84.4Confident77.2Confident88 Ų88110.6 Ų110.653%0.53358%0.582SS.*Hα-helixtrans-66.6-42.2175.9173.60000111.1K6 I7 M13 L14K6-V10 WeakPolarHBondContact O-CG2 3.33Å; K6-V10 PolarHBondContact O-N 2.84Å; I7-V10 PolarHBondContact O-N 3.34Å; V10-M13 PolarHBondContact O-N 3.44Å; V10-L14 HydrophobicContact CG1-CD1 4.07Å; V10-L14 WeakPolarHBondContact O-CG 3.41Å; V10-L14 PolarHBondContact O-N 3.19Å
11L83.4Confident77.5Confident91 Ų91110.8 Ų110.848%0.47658%0.583SS.*Hα-helixtrans-63.2-41.5176.7-78.1163.3000112.5I7 N8 L14 L15I7-L11 HydrophobicContact CG2-CD1 3.95Å; I7-L11 WeakPolarHBondContact O-CG 3.34Å; I7-L11 PolarHBondContact O-N 3.34Å; N8-L11 PolarHBondContact O-N 3.28Å; L11-L14 PolarHBondContact O-N 3.27Å; L11-L15 PolarHBondContact O-N 3.47Å
12I85.1Confident78.4Confident90 Ų90106.4 Ų106.446%0.46256%0.563SS.*Hα-helixtrans-64.6-43.1176.1-68.3165.5000110.6N8 L14 L15 V16N8-I12 WeakPolarHBondContact O-CD1 3.5Å; N8-I12 VanDerWaalsContact O-CG1 3.24Å; N8-I12 WeakPolarHBondContact O-CG1 3.37Å; N8-I12 PolarHBondContact O-N 2.93Å; I12-L14 VanDerWaalsContact C-N 3.33Å; I12-L14 PolarHBondContact O-N 3.37Å; I12-L15 PolarHBondContact O-N 2.8Å; I12-V16 HydrophobicContact CG2-CG2 4.5Å; I12-V16 WeakPolarHBondContact O-CG2 3.3Å; I12-V16 PolarHBondContact O-N 3.45Å
13M87.6Confident79.1Confident135 Ų135106.9 Ų106.967%0.66556%0.56SS**Hα-helixtrans-59.5-42.5174.8-88-102.4-83.100112.3Q9 V10 V16 L17Q9-M13 PolarHBondContact O-N 3.42Å; V10-M13 PolarHBondContact O-N 3.44Å; M13-V16 PolarHBondContact O-N 3.26Å; M13-L17 WeakPolarHBondContact O-CB 3.29Å; M13-L17 WeakPolarHBondContact O-CG 3.34Å; M13-L17 PolarHBondContact O-N 3.21Å
14L87.9Confident79.9Confident103 Ų103105.7 Ų105.754%0.53955%0.55SS.*Hα-helixtrans-65.6-39.3176.8-71.9168.7000112.2V10 L11 I12 L17 L18V10-L14 HydrophobicContact CG1-CD1 4.07Å; V10-L14 WeakPolarHBondContact O-CG 3.41Å; V10-L14 PolarHBondContact O-N 3.19Å; L11-L14 PolarHBondContact O-N 3.27Å; I12-L14 VanDerWaalsContact C-N 3.33Å; I12-L14 PolarHBondContact O-N 3.37Å; L14-L17 PolarHBondContact O-N 2.59Å; L14-L18 WeakPolarHBondContact O-CB 3.37Å; L14-L18 PolarHBondContact O-N 3.42Å
15L86.6Confident80.4Confident116 Ų116102.4 Ų102.461%0.60754%0.539SS*.Hα-helixtrans-64.2-42.1175.2-88.1160.7000112.3L11 I12 L18 A19L11-L15 PolarHBondContact O-N 3.47Å; I12-L15 PolarHBondContact O-N 2.8Å; L15-L18 PolarHBondContact O-N 3.24Å; L15-A19 WeakPolarHBondContact O-CB 3.13Å; L15-A19 PolarHBondContact O-N 2.91Å
16V88.9Confident80.4Confident84 Ų8498.5 Ų98.551%0.50953%0.532SS..Hα-helixtrans-65.1-43.8176.1173.30000110.6I12 M13 L18 A19 C20I12-V16 HydrophobicContact CG2-CG2 4.5Å; I12-V16 WeakPolarHBondContact O-CG2 3.3Å; I12-V16 PolarHBondContact O-N 3.45Å; M13-V16 PolarHBondContact O-N 3.26Å; V16-L18 VanDerWaalsContact C-N 3.34Å; V16-L18 PolarHBondContact O-N 3.42Å; V16-A19 PolarHBondContact O-N 2.98Å; V16-C20 WeakPolarHBondContact O-CB 3.38Å; V16-C20 PolarHBondContact O-N 2.94Å; V16-C20 PolarHBondContact O-SG 3.42Å
17L89Confident80.4Confident99 Ų9997 Ų9752%0.51853%0.53SS..Hα-helixtrans-60-43.2175.3-83.3161.5000111.9M13 L14 C20 L21M13-L17 WeakPolarHBondContact O-CB 3.29Å; M13-L17 WeakPolarHBondContact O-CG 3.34Å; M13-L17 PolarHBondContact O-N 3.21Å; L14-L17 PolarHBondContact O-N 2.59Å; L17-C20 PolarHBondContact O-N 3.23Å; L17-L21 WeakPolarHBondContact O-CB 3.23Å; L17-L21 VanDerWaalsContact O-CG 3.29Å; L17-L21 WeakPolarHBondContact O-CG 3.3Å; L17-L21 PolarHBondContact O-N 3.1Å
18L86.9Confident80.2Confident101 Ų10198 Ų9853%0.52953%0.53SS..Hα-helixtrans-63-44.5176.4-164.682.1000111.4L14 L15 V16 C20 L21 L22L14-L18 WeakPolarHBondContact O-CB 3.37Å; L14-L18 PolarHBondContact O-N 3.42Å; L15-L18 PolarHBondContact O-N 3.24Å; V16-L18 VanDerWaalsContact C-N 3.34Å; V16-L18 PolarHBondContact O-N 3.42Å; L18-C20 PolarHBondContact O-N 2.68Å; L18-L21 PolarHBondContact O-N 2.84Å; L18-L22 HydrophobicContact CG-CD1 4.36Å; L18-L22 VanDerWaalsContact O-CG 3.31Å; L18-L22 WeakPolarHBondContact O-CG 3.44Å; L18-L22 PolarHBondContact O-N 3.16Å
19A84.1Confident79.3Confident47 Ų4796.1 Ų96.139%0.38853%0.525SS..Hα-helixtrans-62.3-42.2176.800000111.9L15 V16 L22 L23L15-A19 WeakPolarHBondContact O-CB 3.13Å; L15-A19 PolarHBondContact O-N 2.91Å; V16-A19 PolarHBondContact O-N 2.98Å; A19-L22 PolarHBondContact O-N 2.63Å; A19-L23 WeakPolarHBondContact O-CB 3.44Å; A19-L23 WeakPolarHBondContact O-CG 3.09Å; A19-L23 PolarHBondContact O-N 2.86Å
20C82.8Confident78.2Confident72 Ų7292.6 Ų92.649%0.48652%0.515SS..Hα-helixtrans-63.5-40.5174.9-71.50000112.2V16 L17 L18 L23 H24V16-C20 WeakPolarHBondContact O-CB 3.38Å; V16-C20 PolarHBondContact O-N 2.94Å; V16-C20 PolarHBondContact O-SG 3.42Å; L17-C20 PolarHBondContact O-N 3.23Å; L18-C20 PolarHBondContact O-N 2.68Å; C20-L23 PolarHBondContact O-N 2.95Å; C20-H24 WeakPolarHBondContact O-CB 3.13Å; C20-H24 PolarHBondContact O-N 2.94Å
21L83.6Confident76.9Confident116 Ų11692.5 Ų92.561%0.60751%0.514SS*.Hα-helixtrans-65.1-41.1176.4-74.6168.1000112L17 L18 H24 S25L17-L21 WeakPolarHBondContact O-CB 3.23Å; L17-L21 VanDerWaalsContact O-CG 3.29Å; L17-L21 WeakPolarHBondContact O-CG 3.3Å; L17-L21 PolarHBondContact O-N 3.1Å; L18-L21 PolarHBondContact O-N 2.84Å; L21-H24 PolarHBondContact O-N 2.84Å; L21-S25 WeakPolarHBondContact O-CB 3.16Å; L21-S25 PolarHBondContact O-N 3.31Å; L21-S25 PolarHBondContact O-OG 2.77Å
22L78.1Confident75.8Confident106 Ų10694.8 Ų94.856%0.55552%0.523SS*.Hα-helixtrans-68.2-39.7176.7-70.1172.5000112.4L18 A19 S25 S26L18-L22 HydrophobicContact CG-CD1 4.36Å; L18-L22 VanDerWaalsContact O-CG 3.31Å; L18-L22 WeakPolarHBondContact O-CG 3.44Å; L18-L22 PolarHBondContact O-N 3.16Å; A19-L22 PolarHBondContact O-N 2.63Å; L22-S25 PolarHBondContact O-OG 2.93Å; L22-S26 VanDerWaalsContact O-CB 3.31Å; L22-S26 WeakPolarHBondContact O-CB 3.39Å; L22-S26 PolarHBondContact O-N 3.41Å
23L74.1Confident74.2Confident112 Ų11296.3 Ų96.359%0.58653%0.531SS*.Hα-helixtrans-64.4-42.3173.2-79.1161000111A19 C20 S26 L27A19-L23 WeakPolarHBondContact O-CB 3.44Å; A19-L23 WeakPolarHBondContact O-CG 3.09Å; A19-L23 PolarHBondContact O-N 2.86Å; C20-L23 PolarHBondContact O-N 2.95Å; L23-S26 PolarHBondContact O-N 2.7Å; L23-L27 WeakPolarHBondContact O-CB 2.95Å; L23-L27 WeakPolarHBondContact O-CD1 3.3Å; L23-L27 WeakPolarHBondContact O-CG 3.46Å; L23-L27 PolarHBondContact O-N 2.74Å
24H75.6Confident72.6Confident102 Ų10296.4 Ų96.447%0.47253%0.528SS..Hα-helixtrans-68.9-37.6179.8-164.923.2000112.4C20 L21 K28C20-H24 WeakPolarHBondContact O-CB 3.13Å; C20-H24 PolarHBondContact O-N 2.94Å; L21-H24 PolarHBondContact O-N 2.84Å; H24-K28 WeakPolarHBondContact O-CB 3.45Å; H24-K28 PolarHBondContact O-N 2.86Å
25S70.8Confident70.7Confident67 Ų6798.4 Ų98.447%0.46953%0.532SS..Hα-helixtrans-68-39.3174.9720000112L21 L22 K28 S29L21-S25 WeakPolarHBondContact O-CB 3.16Å; L21-S25 PolarHBondContact O-N 3.31Å; L21-S25 PolarHBondContact O-OG 2.77Å; L22-S25 PolarHBondContact O-OG 2.93Å; S25-K28 PolarHBondContact O-N 3Å; S25-S29 WeakPolarHBondContact O-CB 3.39Å; S25-S29 PolarHBondContact O-N 3.32Å
26S65Low68.9Low76 Ų7695.6 Ų95.653%0.53153%0.525SS..Hα-helixtrans-62.7-45.3174.1-1800000112.2L22 L23 S29 S30L22-S26 VanDerWaalsContact O-CB 3.31Å; L22-S26 WeakPolarHBondContact O-CB 3.39Å; L22-S26 PolarHBondContact O-N 3.41Å; L23-S26 PolarHBondContact O-N 2.7Å; S26-S29 PolarHBondContact O-N 3.09Å; S26-S30 WeakPolarHBondContact O-CB 3.34Å; S26-S30 PolarHBondContact O-N 3.06Å
27L67.7Low66.6Low112 Ų11298.9 Ų98.959%0.58653%0.53SS*.Hα-helixtrans-62.7-43.5175.5-80.1156.6000111.7L23 S30 T31L23-L27 WeakPolarHBondContact O-CB 2.95Å; L23-L27 WeakPolarHBondContact O-CD1 3.3Å; L23-L27 WeakPolarHBondContact O-CG 3.46Å; L23-L27 PolarHBondContact O-N 2.74Å; L27-S30 PolarHBondContact O-N 3.09Å; L27-T31 PolarHBondContact O-N 2.77Å; L27-T31 PolarHBondContact O-OG1 3.05Å
28K68.3Low64.4Low115 Ų115104.1 Ų104.150%0.554%0.542SS..Hα-helixtrans-61.9-45.5175-82.5-174.9178.6176.30111.8H24 S25 S30 T31 Q32H24-K28 WeakPolarHBondContact O-CB 3.45Å; H24-K28 PolarHBondContact O-N 2.86Å; S25-K28 PolarHBondContact O-N 3Å; K28-S30 PolarHBondContact O-N 2.88Å; K28-T31 WeakPolarHBondContact CA-OG1 3.49Å; K28-T31 PolarHBondContact O-N 3.19Å; K28-T31 PolarHBondContact O-OG1 3.3Å; K28-Q32 WeakPolarHBondContact O-CB 3.36Å; K28-Q32 WeakPolarHBondContact O-CG 3.42Å; K28-Q32 PolarHBondContact O-N 3.15Å
29S57.2Low62.5Low59 Ų59106.4 Ų106.441%0.41355%0.551SS.*Hα-helixtrans-59.1-45.2175.3177.60000111.8S25 S26 T31 Q32 L33S25-S29 WeakPolarHBondContact O-CB 3.39Å; S25-S29 PolarHBondContact O-N 3.32Å; S26-S29 PolarHBondContact O-N 3.09Å; S29-T31 PolarHBondContact O-N 3.1Å; S29-Q32 PolarHBondContact O-N 3.04Å; S29-L33 WeakPolarHBondContact O-CB 3.44Å; S29-L33 PolarHBondContact O-N 3.04Å
30S54.9Low60.6Low54 Ų54108.3 Ų108.338%0.37856%0.561SS.*Hα-helixtrans-62.2-42175.9-173.50000112.7S26 L27 K28 L33 K34S26-S30 WeakPolarHBondContact O-CB 3.34Å; S26-S30 PolarHBondContact O-N 3.06Å; L27-S30 PolarHBondContact O-N 3.09Å; K28-S30 PolarHBondContact O-N 2.88Å; S30-L33 PolarHBondContact O-N 3.48Å; S30-K34 WeakPolarHBondContact O-CB 3.5Å; S30-K34 WeakPolarHBondContact O-CG 3.41Å; S30-K34 PolarHBondContact O-N 3.18Å
31T57.1Low58.7Low85 Ų85111.1 Ų111.152%0.52157%0.567SS.*Hα-helixtrans-69-35.1175.448.80000112.9L27 K28 S29 K34 K35L27-T31 PolarHBondContact O-N 2.77Å; L27-T31 PolarHBondContact O-OG1 3.05Å; K28-T31 WeakPolarHBondContact CA-OG1 3.49Å; K28-T31 PolarHBondContact O-N 3.19Å; K28-T31 PolarHBondContact O-OG1 3.3Å; S29-T31 PolarHBondContact O-N 3.1Å; T31-K34 PolarHBondContact O-N 3.06Å; T31-K35 VanDerWaalsContact O-CB 3.3Å; T31-K35 WeakPolarHBondContact O-CB 3.48Å; T31-K35 PolarHBondContact O-N 3.42Å
32Q59.4Low56.7Low140 Ų140108.4 Ų108.465%0.65457%0.567SS**Hα-helixtrans-69.6-39174.6-78-179.2-1800111.6K28 S29 K35 A36K28-Q32 WeakPolarHBondContact O-CB 3.36Å; K28-Q32 WeakPolarHBondContact O-CG 3.42Å; K28-Q32 PolarHBondContact O-N 3.15Å; S29-Q32 PolarHBondContact O-N 3.04Å; Q32-K35 PolarHBondContact O-N 3.02Å; Q32-A36 VanDerWaalsContact O-CB 3.25Å; Q32-A36 WeakPolarHBondContact O-CB 3.37Å; Q32-A36 PolarHBondContact O-N 3.14Å
33L53.2Low54.8Low121 Ų121111 Ų11163%0.63458%0.58SS**Hα-helixtrans-63.2-43.3171.7-104.1135.6000112S29 S30 K35 A36 Y37S29-L33 WeakPolarHBondContact O-CB 3.44Å; S29-L33 PolarHBondContact O-N 3.04Å; S30-L33 PolarHBondContact O-N 3.48Å; L33-K35 VanDerWaalsContact C-N 3.32Å; L33-K35 PolarHBondContact O-N 2.78Å; L33-A36 PolarHBondContact O-N 2.92Å; L33-Y37 WeakPolarHBondContact O-CB 3.37Å; L33-Y37 PolarHBondContact O-N 3.34Å
34K52.5Low53.4Low138 Ų138112.7 Ų112.760%0.660%0.596SS**Hα-helixtrans-65.7-34.1174.8-76.2178179.3177.70112.7S30 T31 R38S30-K34 WeakPolarHBondContact O-CB 3.5Å; S30-K34 WeakPolarHBondContact O-CG 3.41Å; S30-K34 PolarHBondContact O-N 3.18Å; T31-K34 PolarHBondContact O-N 3.06Å; K34-R38 WeakPolarHBondContact O-CB 3.46Å; K34-R38 WeakPolarHBondContact O-CG 3.33Å; K34-R38 PolarHBondContact O-N 2.7Å
35K49Very low51.6Low145 Ų145111.8 Ų111.863%0.6361%0.605SS**Hα-helixtrans-75.5-41.8177-162.1174.8-177-178.70111.4T31 Q32 L33 Y37 R38 Q39T31-K35 VanDerWaalsContact O-CB 3.3Å; T31-K35 WeakPolarHBondContact O-CB 3.48Å; T31-K35 PolarHBondContact O-N 3.42Å; Q32-K35 PolarHBondContact O-N 3.02Å; L33-K35 VanDerWaalsContact C-N 3.32Å; L33-K35 PolarHBondContact O-N 2.78Å; K35-Y37 VanDerWaalsContact C-N 3.34Å; K35-Y37 PolarHBondContact O-N 2.89Å; K35-R38 PolarHBondContact O-N 3.48Å; K35-Q39 VanDerWaalsContact O-CB 3.23Å; K35-Q39 WeakPolarHBondContact O-CB 3.45Å; K35-Q39 PolarHBondContact O-N 2.86Å
36A49.4Very low49.9Very low56 Ų56116.5 Ų116.546%0.46363%0.625SS.*Hα-helixtrans-62.9-39.3173.100000111.7Q32 L33 Q39 S40Q32-A36 VanDerWaalsContact O-CB 3.25Å; Q32-A36 WeakPolarHBondContact O-CB 3.37Å; Q32-A36 PolarHBondContact O-N 3.14Å; L33-A36 PolarHBondContact O-N 2.92Å; A36-Q39 PolarHBondContact O-N 3.23Å; A36-S40 WeakPolarHBondContact O-CB 3.46Å; A36-S40 PolarHBondContact O-N 3.45Å; A36-S40 PolarHBondContact O-OG 2.91Å
37Y40.5Very low48.4Very low154 Ų154120.2 Ų120.260%0.60464%0.638SS**Hα-helixtrans-65-39.5173.5-175-101.2000112.9L33 K35 S40 H41L33-Y37 WeakPolarHBondContact O-CB 3.37Å; L33-Y37 PolarHBondContact O-N 3.34Å; K35-Y37 VanDerWaalsContact C-N 3.34Å; K35-Y37 PolarHBondContact O-N 2.89Å; Y37-S40 PolarHBondContact O-OG 3.35Å; Y37-H41 AromaticContact CE2-CD2 3.86Å; Y37-H41 AromaticContact CE2-NE2 3.93Å; Y37-H41 AromaticContact CZ-CD2 3.74Å; Y37-H41 PolarHBondContact O-N 2.88Å
38R42.2Very low47Very low208 Ų208120.3 Ų120.379%0.78565%0.646SS**Hα-helixtrans-71.4-30.5173.6-80.1-179.9174.5-177.8-2.3113.1K34 K35 G42K34-R38 WeakPolarHBondContact O-CB 3.46Å; K34-R38 WeakPolarHBondContact O-CG 3.33Å; K34-R38 PolarHBondContact O-N 2.7Å; K35-R38 PolarHBondContact O-N 3.48Å; R38-G42 PolarHBondContact O-N 3.06Å
39Q46.6Very low45.6Very low150 Ų150118.7 Ų118.770%0.70165%0.654SS**Hα-helixtrans-85.5-24.5-178-151.9164.57.200112K35 A36K35-Q39 VanDerWaalsContact O-CB 3.23Å; K35-Q39 WeakPolarHBondContact O-CB 3.45Å; K35-Q39 PolarHBondContact O-N 2.86Å; A36-Q39 PolarHBondContact O-N 3.23Å
40S43.6Very low44.9Very low86 Ų86124.5 Ų124.560%0.60168%0.675SS**Hα-helixtrans-81.6-14.7169.769.60000114.1A36 Y37A36-S40 WeakPolarHBondContact O-CB 3.46Å; A36-S40 PolarHBondContact O-N 3.45Å; A36-S40 PolarHBondContact O-OG 2.91Å; Y37-S40 PolarHBondContact O-OG 3.35Å
41H44.4Very low44.3Very low132 Ų132130.3 Ų130.361%0.61170%0.696SS**SBendtrans-111.716.6175.6-77-25.3000113.6Y37Y37-H41 AromaticContact CE2-CD2 3.86Å; Y37-H41 AromaticContact CE2-NE2 3.93Å; Y37-H41 AromaticContact CZ-CD2 3.74Å; Y37-H41 PolarHBondContact O-N 2.88Å
42G41.2Very low43.5Very low59 Ų59130.6 Ų130.661%0.60871%0.707SS**  trans-99.456.8172.600000112.3R38R38-G42 PolarHBondContact O-N 3.06Å
43L37.6Very low43.2Very low159 Ų159127 Ų12783%0.83269%0.69SS**SBendtrans-140.2119.4164.3-97.7145.2000105.9A45L43-A45 VanDerWaalsContact C-N 3.3Å; L43-A45 PolarHBondContact O-N 2.77Å
44T45.9Very low43.2Very low149 Ų149126 Ų12691%0.91469%0.689SS**  trans-55.49117344.40000109.7
45A36.4Very low43.4Very low82 Ų82126 Ų12668%0.67870%0.696SS**  trans-97.1124151.200000104.9L43 L47L43-A45 VanDerWaalsContact C-N 3.3Å; L43-A45 PolarHBondContact O-N 2.77Å; A45-L47 VanDerWaalsContact C-N 3.32Å; A45-L47 PolarHBondContact O-N 3.47Å
46D35.9Very low45Very low166 Ų166123.1 Ų123.189%0.88869%0.687SS**  trans-44.5106.7158.9-75.2-42.6000106.9
47L34.4Very low47.1Very low154 Ų154121.5 Ų121.581%0.80667%0.671SS**  trans-52.9130.1160.4-72.2162.2000103.9A45 A49A45-L47 VanDerWaalsContact C-N 3.32Å; A45-L47 PolarHBondContact O-N 3.47Å; L47-A49 PolarHBondContact O-N 2.85Å
48P37.5Very low49.9Very low114 Ų114114.3 Ų114.374%0.7464%0.644SS**  trans-52.8122.6163.8-6.819.2000104E50P48-E50 PolarHBondContact O-N 2.78Å
49A37.8Very low52.5Low82 Ų82104.4 Ų104.468%0.67861%0.606SS**  trans-36.7137.3161.100000107L47 E51L47-A49 PolarHBondContact O-N 2.85Å; A49-E51 VanDerWaalsContact C-N 3.33Å; A49-E51 PolarHBondContact O-N 3.26Å
50E43.7Very low55Low181 Ų18197.2 Ų97.285%0.84657%0.573SS**  trans-37111.2159.6-78.9-176.3140.900105.4P48 A52P48-E50 PolarHBondContact O-N 2.78Å; E50-A52 VanDerWaalsContact C-N 3.34Å; E50-A52 PolarHBondContact O-N 3Å
51E41.5Very low57.7Low176 Ų17693.1 Ų93.182%0.82254%0.544SS*.  trans-51111.4-176.8-85.2180169.100104.2A49 E53A49-E51 VanDerWaalsContact C-N 3.33Å; A49-E51 PolarHBondContact O-N 3.26Å; E51-E53 PolarHBondContact O-N 3.39Å
52A40.7Very low60.2Low91 Ų9186.9 Ų86.975%0.75252%0.515SS*.  trans-53.7111.517800000103.9E50 T54E50-A52 VanDerWaalsContact C-N 3.34Å; E50-A52 PolarHBondContact O-N 3Å; A52-T54 PolarHBondContact O-N 3.34Å
53E53.6Low63Low64 Ų6484.3 Ų84.330%0.29949%0.488SS..  trans-52.3126.2175.9-86.2-164.5166.700105.7E51 D55 R157E51-E53 PolarHBondContact O-N 3.39Å; E53-D55 PolarHBondContact O-N 2.95Å; E53-R157 WeakPolarHBondContact OE1-CB 3.26Å; E53-R157 WeakPolarHBondContact OE1-CG 3.46Å; E53-R157 PolarHBondContact OE1-N 2.97Å; E53-R157 IonicContact OE1-NE 2.63Å; E53-R157 WeakPolarHBondContact OE2-CD 3.32Å; E53-R157 IonicContact OE2-CZ 3.28Å; E53-R157 IonicContact OE2-NE 3.38Å; E53-R157 PolarHBondContact OE2-NE 2.81Å; E53-R157 IonicContact OE2-NH2 3.75Å; E53-R157 PolarHBondContact OE2-NH2 3.03Å
54T53.4Low65.8Low99 Ų9976.7 Ų76.761%0.60745%0.448SS*.  trans-62.494.9169.851.20000105.3A52 D56 V57A52-T54 PolarHBondContact O-N 3.34Å; T54-D56 PolarHBondContact O-N 2.88Å; T54-V57 PolarHBondContact O-N 3.13Å
55D56.8Low68Low139 Ų13969.9 Ų69.974%0.74341%0.406SS*.THydrogen-bonded Turntrans-616.4-172.6-107.9-14.6000113.7E53 R157E53-D55 PolarHBondContact O-N 2.95Å; D55-R157 IonicContact OD1-NH2 3.7Å
56D81.1Confident70.7Confident84 Ų8469.8 Ų69.845%0.44939%0.392SS..THydrogen-bonded Turntrans-119.810.8-172.2-162.140.5000114.5T54 N86 K173T54-D56 PolarHBondContact O-N 2.88Å; D56-N86 WeakPolarHBondContact O-CB 3.49Å; D56-N86 PolarHBondContact OD2-ND2 2.91Å; D56-K173 IonicContact OD1-NZ 3.65Å
57V95.2Very high73.4Confident22 Ų2269.1 Ų69.113%0.13338%0.383CS..EExtended strand (participates in β ladder)trans-111.5133.7176.1175.50000111.2T54 P59 N86 F88T54-V57 PolarHBondContact O-N 3.13Å; V57-P59 WeakPolarHBondContact O-CD 3.18Å; V57-N86 CarbonylContact C-O 3.52Å; V57-N86 WeakPolarHBondContact CA-O 3.12Å; V57-N86 HydrophobicContact CG2-CB 4.09Å; V57-F88 HydrophobicContact CG1-CB 3.42Å; V57-F88 VanDerWaalsContact CG1-CB 3.42Å
58V98Very high76.2Confident3 Ų364.5 Ų64.52%0.01836%0.355CS..EExtended strand (participates in β ladder)trans-96.7102.6171.1-177.80000109.4V60 N86 V87 F88 I160 I172 K173 Y176V58-V60 HydrophobicContact CG1-CG2 4.28Å; V58-N86 PolarHBondContact N-O 3.19Å; V58-V87 WeakPolarHBondContact O-CA 3.39Å; V58-V87 WeakPolarHBondContact O-CG1 3.2Å; V58-F88 PolarHBondContact O-N 3.38Å; V58-I160 HydrophobicContact CG1-CD1 3.93Å; V58-I172 HydrophobicContact CG1-CG1 4.38Å; V58-I172 HydrophobicContact CG1-CG2 4.16Å; V58-K173 HydrophobicContact CG2-CB 4.08Å; V58-K173 HydrophobicContact CG2-CG 4.3Å; V58-Y176 HydrophobicContact CG1-CD2 4.12Å; V58-Y176 HydrophobicContact CG1-CG 4.02Å; V58-Y176 HydrophobicContact CG2-CD1 4.4Å; V58-Y176 HydrophobicContact CG2-CG 4.39Å
59P98.3Very high79Confident0 Ų059.1 Ų59.10%032%0.321CS..EExtended strand (participates in β ladder)trans-79.8122.917829.3-36.2000112.2V57 F88 Y90 H156 R158 V159 I160 Y176V57-P59 WeakPolarHBondContact O-CD 3.18Å; P59-F88 CarbonylContact C-O 3.54Å; P59-F88 WeakPolarHBondContact CA-O 3.46Å; P59-Y90 HydrophobicContact CB-CE2 4.12Å; P59-H156 HydrophobicContact CB-CB 4.02Å; P59-H156 HydrophobicContact CG-CB 3.71Å; P59-R158 WeakPolarHBondContact CG-O 3.36Å; P59-V159 HydrophobicContact CB-CG1 4.13Å; P59-V159 HydrophobicContact CG-CG1 4.14Å; P59-V159 WeakPolarHBondContact O-CA 3.4Å; P59-I160 PolarHBondContact O-N 2.02Å; P59-Y176 HydrophobicContact CG-CE2 4.03Å
60V98.8Very high81.8Confident0 Ų055.2 Ų55.20%029%0.288CS..EExtended strand (participates in β ladder)trans-117.9131.1179.6-179.50000110V58 I79 V87 F88 F89 Y90 I160 V162 I172V58-V60 HydrophobicContact CG1-CG2 4.28Å; V60-I79 HydrophobicContact CG1-CD1 4.18Å; V60-V87 HydrophobicContact CB-CG1 4.38Å; V60-V87 HydrophobicContact CG2-CG1 3.74Å; V60-F88 PolarHBondContact N-O 3.01Å; V60-F89 HydrophobicContact CB-CD1 3.9Å; V60-F89 HydrophobicContact CB-CE1 4.01Å; V60-F89 HydrophobicContact CG1-CD1 4.14Å; V60-F89 HydrophobicContact CG1-CE1 4.14Å; V60-F89 HydrophobicContact CG2-CE1 4.44Å; V60-F89 CarbonylContact O-C 3.44Å; V60-F89 WeakPolarHBondContact O-CA 3.48Å; V60-Y90 PolarHBondContact O-N 3.38Å; V60-I160 CarbonylContact C-O 3.6Å; V60-I160 WeakPolarHBondContact CA-O 2.92Å; V60-I160 HydrophobicContact CG2-CB 4.43Å; V60-V162 HydrophobicContact CG1-CG2 3.79Å; V60-I172 HydrophobicContact CG2-CG1 4.26Å
61I98.8Very high84.4Confident0 Ų046.6 Ų46.60%025%0.248CC..EExtended strand (participates in β ladder)trans-103.9126.9173.6-52.7173.2000108.2Y90 V92 L149 I154 V159 I160 Y161 V162I61-Y90 WeakPolarHBondContact CA-O 3.49Å; I61-Y90 HydrophobicContact CG1-CD2 4.18Å; I61-V92 HydrophobicContact CG2-CG2 3.89Å; I61-L149 HydrophobicContact CD1-CB 4.33Å; I61-L149 HydrophobicContact CD1-CD1 4.18Å; I61-L149 HydrophobicContact CD1-CD2 3.73Å; I61-L149 HydrophobicContact CD1-CG 4.3Å; I61-L149 HydrophobicContact CG2-CD2 4.35Å; I61-I154 HydrophobicContact CD1-CD1 3.25Å; I61-I154 HydrophobicContact CG1-CD1 4Å; I61-V159 HydrophobicContact CD1-CB 3.94Å; I61-V159 HydrophobicContact CD1-CG1 4.14Å; I61-V159 HydrophobicContact CD1-CG2 3.64Å; I61-V159 HydrophobicContact CG1-CB 4.18Å; I61-V159 HydrophobicContact CG1-CG1 4.39Å; I61-V159 HydrophobicContact CG1-CG2 4.38Å; I61-I160 PolarHBondContact N-O 2.83Å; I61-Y161 HydrophobicContact CB-CD2 4.21Å; I61-Y161 HydrophobicContact CG2-CD2 4.05Å; I61-Y161 HydrophobicContact CG2-CE2 4.48Å; I61-V162 PolarHBondContact O-N 3.19Å
62I98.7Very high87.1Confident0 Ų038.2 Ų38.20%021%0.209CC..EExtended strand (participates in β ladder)trans-140142.1176.9-173.5163.7000110T72 T75 I76 Y90 I91 V92 V162I62-T72 HydrophobicContact CD1-CG2 3.79Å; I62-T72 HydrophobicContact CG1-CG2 3.84Å; I62-T72 HydrophobicContact CG2-CG2 4.03Å; I62-T75 HydrophobicContact CD1-CG2 3.5Å; I62-T75 VanDerWaalsContact CD1-CG2 3.5Å; I62-I76 HydrophobicContact CD1-CG1 4.47Å; I62-I76 HydrophobicContact CG2-CD1 4.2Å; I62-I76 HydrophobicContact CG2-CG1 4.26Å; I62-Y90 PolarHBondContact N-O 3.08Å; I62-I91 HydrophobicContact CG2-CG1 4.22Å; I62-I91 CarbonylContact O-C 3.54Å; I62-I91 WeakPolarHBondContact O-CA 3.25Å; I62-V92 PolarHBondContact O-N 3.09Å; I62-V162 HydrophobicContact CB-CG2 3.97Å; I62-V162 HydrophobicContact CD1-CG2 3.97Å; I62-V162 HydrophobicContact CG1-CG2 4.13Å
63C98Very high89.9Confident5 Ų533.9 Ų33.93%0.03417%0.173CC..EExtended strand (participates in β ladder)trans-89.3145.6175.8-71.20000111T72 V92 L142C63-T72 PolarHBondContact O-OG1 3.11Å; C63-V92 CarbonylContact C-O 3.53Å; C63-V92 VanDerWaalsContact CA-O 3.27Å; C63-V92 WeakPolarHBondContact CA-O 3.04Å; C63-L142 HydrophobicContact CB-CB 4.09Å; C63-L142 HydrophobicContact CB-CD1 4.27Å
64A96.3Very high92Very high0 Ų030.9 Ų30.90%016%0.159CC..  trans-129.895.9172.900000110T72 I91 V92 T93A64-T72 WeakPolarHBondContact CA-OG1 3.38Å; A64-T72 HydrophobicContact CB-CG2 3.9Å; A64-I91 HydrophobicContact CB-CG2 3.84Å; A64-V92 PolarHBondContact N-O 3.2Å; A64-T93 VanDerWaalsContact O-CB 3.24Å; A64-T93 WeakPolarHBondContact O-CB 3.49Å; A64-T93 PolarHBondContact O-OG1 3.01Å
65S93.8Very high94.2Very high6 Ų626.1 Ų26.14%0.04213%0.13CC..  trans-74154.6167.960.10000110.1E67 R68 T69S65-E67 VanDerWaalsContact C-N 3.32Å; S65-E67 PolarHBondContact O-N 3.19Å; S65-R68 CarbonylContact O-C 3.44Å; S65-R68 PolarHBondContact O-N 3.3Å; S65-R68 VanDerWaalsContact O-N 3.08Å; S65-R68 VanDerWaalsContact OG-CB 3.31Å; S65-R68 WeakPolarHBondContact OG-CB 3.44Å; S65-R68 PolarHBondContact OG-N 2.88Å; S65-R68 PolarHBondContact OG-NE 3.33Å; S65-T69 PolarHBondContact O-N 3.04Å; S65-T69 PolarHBondContact O-OG1 3.29Å
66E92.8Very high96.2Very high79 Ų7919.5 Ų19.537%0.3699%0.094SC..G310 helixtrans-49.3-54.2176.7175159.9-166.500111.6R68 T69 A97 I100 R349E66-R68 PolarHBondContact O-N 3.25Å; E66-R68 VanDerWaalsContact O-N 3.16Å; E66-T69 PolarHBondContact O-N 3.1Å; E66-T69 PolarHBondContact O-OG1 3.29Å; E66-A97 HydrophobicContact CB-CB 4.1Å; E66-I100 HydrophobicContact CB-CD1 4.37Å; E66-I100 HydrophobicContact CG-CD1 3.58Å; E66-I100 WeakPolarHBondContact OE1-CD1 3.31Å; E66-R349 IonicContact OE1-NH1 2.7Å; E66-R349 PolarHBondContact OE1-NH1 3.04Å
67E92.1Very high97Very high152 Ų15215.7 Ų15.771%0.717%0.074SC*.G310 helixtrans-68-13.8-177.3-54.9-66.1177.300114.7S65 F350S65-E67 VanDerWaalsContact C-N 3.32Å; S65-E67 PolarHBondContact O-N 3.19Å; E67-F350 WeakPolarHBondContact O-CD2 3.39Å
68R93.6Very high97.2Very high57 Ų5714.6 Ų14.622%0.2157%0.067CC..G310 helixtrans-128.915.9-174.6-53.9-171.5-63.1159.49.7113S65 E66 G70 A71 T72 D164 W328S65-R68 CarbonylContact O-C 3.44Å; S65-R68 PolarHBondContact O-N 3.3Å; S65-R68 VanDerWaalsContact O-N 3.08Å; S65-R68 VanDerWaalsContact OG-CB 3.31Å; S65-R68 WeakPolarHBondContact OG-CB 3.44Å; S65-R68 PolarHBondContact OG-N 2.88Å; S65-R68 PolarHBondContact OG-NE 3.33Å; E66-R68 PolarHBondContact O-N 3.25Å; E66-R68 VanDerWaalsContact O-N 3.16Å; R68-G70 PolarHBondContact O-N 2.72Å; R68-A71 HydrophobicContact CB-CB 4.34Å; R68-A71 WeakPolarHBondContact O-CA 3.48Å; R68-A71 VanDerWaalsContact O-CB 3.31Å; R68-A71 WeakPolarHBondContact O-CB 3.26Å; R68-A71 PolarHBondContact O-N 3.34Å; R68-T72 PolarHBondContact O-N 3.49Å; R68-T72 VanDerWaalsContact O-N 3.16Å; R68-T72 PolarHBondContact O-OG1 2.99Å; R68-D164 VanDerWaalsContact CZ-CG 3.45Å; R68-D164 IonicContact CZ-OD1 2.61Å; R68-D164 IonicContact CZ-OD2 3.09Å; R68-D164 IonicContact NE-OD1 3.6Å; R68-D164 IonicContact NE-OD2 3.84Å; R68-D164 PolarHBondContact NE-OD2 3.19Å; R68-D164 IonicContact NH1-OD1 3.38Å; R68-D164 PolarHBondContact NH1-OD1 3.38Å; R68-D164 IonicContact NH1-OD2 2.91Å; R68-D164 VanDerWaalsContact NH2-CG 3.3Å; R68-D164 IonicContact NH2-OD1 3.98Å; R68-D164 PolarHBondContact NH2-OD1 2.96Å; R68-D164 VanDerWaalsContact NH2-OD1 3.11Å; R68-D164 IonicContact NH2-OD2 3.11Å; R68-D164 PolarHBondContact NH2-OD2 2.94Å; R68-W328 HydrophobicContact CG-CZ2 4.44Å
69T95.5Very high97.2Very high2 Ų214.5 Ų14.51%0.0127%0.067CC..Hα-helixtrans-59.2-37.7-179.5-65.30000110.9S65 E66 A71 T72 M73 I100 A101 Y104S65-T69 PolarHBondContact O-N 3.04Å; S65-T69 PolarHBondContact O-OG1 3.29Å; E66-T69 PolarHBondContact O-N 3.1Å; E66-T69 PolarHBondContact O-OG1 3.29Å; T69-A71 PolarHBondContact O-N 3.21Å; T69-T72 WeakPolarHBondContact O-CB 3.35Å; T69-T72 PolarHBondContact O-N 3.28Å; T69-M73 HydrophobicContact CG2-CE 3.51Å; T69-M73 VanDerWaalsContact O-CG 3.32Å; T69-M73 WeakPolarHBondContact O-CG 3.45Å; T69-M73 PolarHBondContact O-N 3.29Å; T69-I100 HydrophobicContact CG2-CG2 4.31Å; T69-A101 HydrophobicContact CG2-CB 4.31Å; T69-Y104 HydrophobicContact CG2-CD1 3.79Å; T69-Y104 HydrophobicContact CG2-CE1 4.47Å; T69-Y104 HydrophobicContact CG2-CG 4.46Å
70G97.4Very high97.2Very high0 Ų017 Ų170%08%0.08CC..Hα-helixtrans-61.8-30.2174.300000113.6R68 M73 A74R68-G70 PolarHBondContact O-N 2.72Å; G70-M73 PolarHBondContact O-N 3.4Å; G70-A74 PolarHBondContact O-N 2.82Å; G70-A74 VanDerWaalsContact O-N 3.09Å
71A98.1Very high97.2Very high0 Ų020 Ų200%010%0.101CC..Hα-helixtrans-71.3-44.7175.200000112.1R68 T69 M73 A74 T75 D164 W328 W338 F350R68-A71 HydrophobicContact CB-CB 4.34Å; R68-A71 WeakPolarHBondContact O-CA 3.48Å; R68-A71 VanDerWaalsContact O-CB 3.31Å; R68-A71 WeakPolarHBondContact O-CB 3.26Å; R68-A71 PolarHBondContact O-N 3.34Å; T69-A71 PolarHBondContact O-N 3.21Å; A71-M73 PolarHBondContact O-N 2.98Å; A71-A74 WeakPolarHBondContact O-CB 3.5Å; A71-A74 PolarHBondContact O-N 2.99Å; A71-A74 VanDerWaalsContact O-N 3.08Å; A71-T75 PolarHBondContact O-N 2.76Å; A71-T75 PolarHBondContact O-OG1 3.06Å; A71-D164 CarbonylContact C-O 3.51Å; A71-D164 VanDerWaalsContact CB-O 3.26Å; A71-D164 WeakPolarHBondContact CB-O 3.26Å; A71-W328 HydrophobicContact CB-CD2 4.39Å; A71-W328 HydrophobicContact CB-CE3 3.89Å; A71-W328 HydrophobicContact CB-CH2 3.6Å; A71-W328 HydrophobicContact CB-CZ2 4.16Å; A71-W328 HydrophobicContact CB-CZ3 3.48Å; A71-W328 VanDerWaalsContact CB-CZ3 3.48Å; A71-W338 HydrophobicContact CB-CH2 4.1Å; A71-W338 HydrophobicContact CB-CZ2 3.76Å; A71-F350 HydrophobicContact CB-CE2 4.25Å; A71-F350 HydrophobicContact CB-CZ 3.95Å
72T98.5Very high97.2Very high0 Ų022.4 Ų22.40%011%0.114CC..Hα-helixtrans-53.1-43170-51.10000112I62 C63 A64 R68 T69 T75 I76I62-T72 HydrophobicContact CD1-CG2 3.79Å; I62-T72 HydrophobicContact CG1-CG2 3.84Å; I62-T72 HydrophobicContact CG2-CG2 4.03Å; C63-T72 PolarHBondContact O-OG1 3.11Å; A64-T72 WeakPolarHBondContact CA-OG1 3.38Å; A64-T72 HydrophobicContact CB-CG2 3.9Å; R68-T72 PolarHBondContact O-N 3.49Å; R68-T72 VanDerWaalsContact O-N 3.16Å; R68-T72 PolarHBondContact O-OG1 2.99Å; T69-T72 WeakPolarHBondContact O-CB 3.35Å; T69-T72 PolarHBondContact O-N 3.28Å; T72-T75 PolarHBondContact O-N 2.81Å; T72-I76 HydrophobicContact CG2-CD1 3.84Å; T72-I76 HydrophobicContact CG2-CG1 4.44Å; T72-I76 VanDerWaalsContact O-CG1 3.31Å; T72-I76 WeakPolarHBondContact O-CG1 3.28Å; T72-I76 PolarHBondContact O-N 3.19Å
73M98.6Very high97.2Very high0 Ų023.2 Ų23.20%012%0.118CC..Hα-helixtrans-67.3-36.3179-61.1-49.1150.600112.6T69 G70 A71 I76 N77 A101 Y104 I105 L110T69-M73 HydrophobicContact CG2-CE 3.51Å; T69-M73 VanDerWaalsContact O-CG 3.32Å; T69-M73 WeakPolarHBondContact O-CG 3.45Å; T69-M73 PolarHBondContact O-N 3.29Å; G70-M73 PolarHBondContact O-N 3.4Å; A71-M73 PolarHBondContact O-N 2.98Å; M73-I76 HydrophobicContact SD-CD1 4.29Å; M73-N77 WeakPolarHBondContact O-CB 3.42Å; M73-N77 PolarHBondContact O-N 3.18Å; M73-A101 HydrophobicContact CE-CB 4.32Å; M73-Y104 HydrophobicContact CB-CD2 4.38Å; M73-Y104 HydrophobicContact CB-CE2 4.04Å; M73-Y104 HydrophobicContact CE-CG 4.46Å; M73-Y104 HydrophobicContact CG-CD1 4.06Å; M73-Y104 HydrophobicContact CG-CD2 3.63Å; M73-Y104 HydrophobicContact CG-CE1 4.15Å; M73-Y104 HydrophobicContact CG-CE2 3.75Å; M73-Y104 HydrophobicContact CG-CG 3.79Å; M73-I105 HydrophobicContact CE-CD1 4.22Å; M73-I105 HydrophobicContact CE-CG1 3.9Å; M73-I105 HydrophobicContact SD-CD1 4.45Å; M73-I105 HydrophobicContact SD-CG1 3.74Å; M73-L110 HydrophobicContact CB-CD1 3.83Å; M73-L110 HydrophobicContact CG-CD1 4.08Å; M73-L110 HydrophobicContact SD-CD1 3.54Å; M73-L110 VanDerWaalsContact SD-CD1 3.54Å
74A98.7Very high97.1Very high0 Ų031.1 Ų31.10%016%0.16CC..Hα-helixtrans-64.2-44.6174.200000111.4G70 A71 N77 S78 W338 W341G70-A74 PolarHBondContact O-N 2.82Å; G70-A74 VanDerWaalsContact O-N 3.09Å; A71-A74 WeakPolarHBondContact O-CB 3.5Å; A71-A74 PolarHBondContact O-N 2.99Å; A71-A74 VanDerWaalsContact O-N 3.08Å; A74-N77 PolarHBondContact O-N 3Å; A74-S78 PolarHBondContact O-N 2.94Å; A74-W338 HydrophobicContact CB-CH2 4.28Å; A74-W338 HydrophobicContact CB-CZ2 3.69Å; A74-W341 WeakPolarHBondContact CA-O 3.5Å
75T98.8Very high97.1Very high0 Ų032.1 Ų32.10%017%0.167CC..Hα-helixtrans-60.9-50.3174.6-59.60000111.8I62 A71 T72 N77 S78 I79 V162 V166I62-T75 HydrophobicContact CD1-CG2 3.5Å; I62-T75 VanDerWaalsContact CD1-CG2 3.5Å; A71-T75 PolarHBondContact O-N 2.76Å; A71-T75 PolarHBondContact O-OG1 3.06Å; T72-T75 PolarHBondContact O-N 2.81Å; T75-N77 VanDerWaalsContact C-N 3.28Å; T75-N77 PolarHBondContact O-N 2.93Å; T75-S78 PolarHBondContact O-N 2.78Å; T75-S78 VanDerWaalsContact O-N 3.14Å; T75-S78 PolarHBondContact O-OG 3.04Å; T75-I79 HydrophobicContact CG2-CD1 4.05Å; T75-I79 WeakPolarHBondContact O-CG1 3.43Å; T75-I79 PolarHBondContact O-N 3.07Å; T75-V162 HydrophobicContact CG2-CG2 4.26Å; T75-V166 WeakPolarHBondContact CB-O 3.33Å; T75-V166 HydrophobicContact CG2-CG2 3.44Å; T75-V166 VanDerWaalsContact CG2-CG2 3.44Å; T75-V166 PolarHBondContact OG1-O 3.04Å
76I98.9Very high97.2Very high0 Ų035.4 Ų35.40%018%0.184CC..Hα-helixtrans-56.2-45.8176.6-72169.5000110.4I62 T72 M73 S78 I79 I80 F89 I91 L110 I113I62-I76 HydrophobicContact CD1-CG1 4.47Å; I62-I76 HydrophobicContact CG2-CD1 4.2Å; I62-I76 HydrophobicContact CG2-CG1 4.26Å; T72-I76 HydrophobicContact CG2-CD1 3.84Å; T72-I76 HydrophobicContact CG2-CG1 4.44Å; T72-I76 VanDerWaalsContact O-CG1 3.31Å; T72-I76 WeakPolarHBondContact O-CG1 3.28Å; T72-I76 PolarHBondContact O-N 3.19Å; M73-I76 HydrophobicContact SD-CD1 4.29Å; I76-S78 VanDerWaalsContact C-N 3.34Å; I76-S78 PolarHBondContact O-N 3.45Å; I76-I79 PolarHBondContact O-N 3.29Å; I76-I80 WeakPolarHBondContact O-CG1 3.48Å; I76-I80 PolarHBondContact O-N 3.48Å; I76-F89 HydrophobicContact CB-CE1 4.45Å; I76-F89 HydrophobicContact CG1-CD1 4.01Å; I76-F89 HydrophobicContact CG1-CE1 4Å; I76-F89 HydrophobicContact CG1-CZ 4.5Å; I76-F89 HydrophobicContact CG2-CD2 4.4Å; I76-F89 HydrophobicContact CG2-CE1 4.3Å; I76-F89 HydrophobicContact CG2-CE2 4.01Å; I76-F89 HydrophobicContact CG2-CZ 3.95Å; I76-I91 HydrophobicContact CD1-CD1 3.78Å; I76-I91 HydrophobicContact CD1-CG1 4.25Å; I76-L110 HydrophobicContact CG2-CD1 4.17Å; I76-L110 HydrophobicContact CG2-CD2 4.13Å; I76-I113 HydrophobicContact CG2-CD1 3.85Å
77N98.8Very high97.5Very high3 Ų332.2 Ų32.22%0.01617%0.17CC..Hα-helixtrans-60.9-41.8178.6-177.247.9000112.1M73 A74 T75 I79 S81 K109 L110 W341 I343M73-N77 WeakPolarHBondContact O-CB 3.42Å; M73-N77 PolarHBondContact O-N 3.18Å; A74-N77 PolarHBondContact O-N 3Å; T75-N77 VanDerWaalsContact C-N 3.28Å; T75-N77 PolarHBondContact O-N 2.93Å; N77-I79 VanDerWaalsContact C-N 3.32Å; N77-I79 PolarHBondContact O-N 3.41Å; N77-S81 VanDerWaalsContact O-CB 3.23Å; N77-S81 WeakPolarHBondContact O-CB 3.46Å; N77-S81 PolarHBondContact O-N 3.48Å; N77-S81 VanDerWaalsContact O-N 3.16Å; N77-S81 PolarHBondContact O-OG 2.98Å; N77-S81 PolarHBondContact OD1-OG 3.5Å; N77-K109 VanDerWaalsContact CG-NZ 3.32Å; N77-K109 PolarHBondContact ND2-NZ 2.86Å; N77-K109 WeakPolarHBondContact OD1-CE 3.11Å; N77-K109 PolarHBondContact OD1-NZ 2.76Å; N77-L110 HydrophobicContact CB-CD2 4.16Å; N77-W341 PolarHBondContact ND2-O 2.85Å; N77-I343 HydrophobicContact CB-CD1 3.79Å; N77-I343 HydrophobicContact CB-CG1 4.27Å
78S98.8Very high97.8Very high0 Ų027.2 Ų27.20%015%0.146CC..Hα-helixtrans-63-38.1175.474.60000112.3A74 T75 I76 N82 V168A74-S78 PolarHBondContact O-N 2.94Å; T75-S78 PolarHBondContact O-N 2.78Å; T75-S78 VanDerWaalsContact O-N 3.14Å; T75-S78 PolarHBondContact O-OG 3.04Å; I76-S78 VanDerWaalsContact C-N 3.34Å; I76-S78 PolarHBondContact O-N 3.45Å; S78-N82 PolarHBondContact O-N 3.41Å; S78-N82 PolarHBondContact O-ND2 2.88Å; S78-V168 PolarHBondContact OG-N 3.36Å
79I98.8Very high98Very high1 Ų124.6 Ų24.61%0.00514%0.136CC..Hα-helixtrans-66.7-55.8179.3-68.6166.1000110.8V60 T75 I76 N77 S81 N82 T83 V87 F89 V162 V168 I172V60-I79 HydrophobicContact CG1-CD1 4.18Å; T75-I79 HydrophobicContact CG2-CD1 4.05Å; T75-I79 WeakPolarHBondContact O-CG1 3.43Å; T75-I79 PolarHBondContact O-N 3.07Å; I76-I79 PolarHBondContact O-N 3.29Å; N77-I79 VanDerWaalsContact C-N 3.32Å; N77-I79 PolarHBondContact O-N 3.41Å; I79-S81 PolarHBondContact O-N 3.05Å; I79-N82 PolarHBondContact O-N 3.27Å; I79-T83 WeakPolarHBondContact O-CG2 3.36Å; I79-V87 HydrophobicContact CG2-CG1 4.14Å; I79-V87 HydrophobicContact CG2-CG2 4.3Å; I79-F89 HydrophobicContact CB-CE1 4.41Å; I79-F89 HydrophobicContact CB-CZ 4.19Å; I79-F89 HydrophobicContact CD1-CE1 4.01Å; I79-F89 HydrophobicContact CG2-CE1 4.19Å; I79-F89 HydrophobicContact CG2-CZ 3.87Å; I79-V162 HydrophobicContact CD1-CG2 4.42Å; I79-V168 HydrophobicContact CD1-CG2 4.08Å; I79-V168 HydrophobicContact CG1-CB 3.79Å; I79-V168 HydrophobicContact CG1-CG1 4.41Å; I79-V168 HydrophobicContact CG1-CG2 3.46Å; I79-V168 VanDerWaalsContact CG1-CG2 3.46Å; I79-I172 HydrophobicContact CG2-CB 4.13Å; I79-I172 HydrophobicContact CG2-CG1 4.23Å; I79-I172 HydrophobicContact CG2-CG2 3.91Å
80I98.3Very high98.2Very high52 Ų5224.7 Ų24.727%0.26714%0.136SC..Hα-helixtrans-68.6-21.2-174.467179.9000113.3I76 F89 L110 I113I76-I80 WeakPolarHBondContact O-CG1 3.48Å; I76-I80 PolarHBondContact O-N 3.48Å; I80-F89 HydrophobicContact CG2-CE2 3.48Å; I80-F89 VanDerWaalsContact CG2-CE2 3.48Å; I80-F89 HydrophobicContact CG2-CZ 3.6Å; I80-L110 HydrophobicContact CD1-CD2 3.52Å; I80-I113 HydrophobicContact CD1-CG2 3.75Å; I80-I113 HydrophobicContact CG2-CG2 4.4Å
81S98.3Very high98.2Very high63 Ų6324.7 Ų24.744%0.44114%0.136SC..Hα-helixtrans-86.1-15.7180-56.60000112.9N77 I79N77-S81 VanDerWaalsContact O-CB 3.23Å; N77-S81 WeakPolarHBondContact O-CB 3.46Å; N77-S81 PolarHBondContact O-N 3.48Å; N77-S81 VanDerWaalsContact O-N 3.16Å; N77-S81 PolarHBondContact O-OG 2.98Å; N77-S81 PolarHBondContact OD1-OG 3.5Å; I79-S81 PolarHBondContact O-N 3.05Å
82N98.4Very high98.3Very high51 Ų5124.7 Ų24.727%0.27314%0.136SC..SBendtrans-114.217.7-177-67.4-62.1000112.7S78 I79 V168 D171 W341S78-N82 PolarHBondContact O-N 3.41Å; S78-N82 PolarHBondContact O-ND2 2.88Å; I79-N82 PolarHBondContact O-N 3.27Å; N82-V168 PolarHBondContact ND2-O 3.15Å; N82-D171 WeakPolarHBondContact O-CA 3.45Å; N82-W341 WeakPolarHBondContact ND2-CH2 2.73Å; N82-W341 VanDerWaalsContact ND2-CZ2 3.3Å; N82-W341 WeakPolarHBondContact ND2-CZ2 3.37Å
83T97.9Very high98.2Very high16 Ų1624.7 Ų24.710%0.09814%0.136CC..  trans-143142.1174.9-170.50000110.8I79 S85 V87 D171 I172I79-T83 WeakPolarHBondContact O-CG2 3.36Å; T83-S85 VanDerWaalsContact C-N 3.31Å; T83-S85 WeakPolarHBondContact OG1-CB 3.38Å; T83-S85 PolarHBondContact OG1-N 2.79Å; T83-S85 VanDerWaalsContact OG1-N 3.15Å; T83-S85 PolarHBondContact OG1-OG 3.29Å; T83-V87 HydrophobicContact CG2-CG2 3.59Å; T83-D171 VanDerWaalsContact CB-OD1 3.29Å; T83-D171 WeakPolarHBondContact CB-OD1 3.42Å; T83-D171 PolarHBondContact OG1-OD1 2.91Å; T83-I172 HydrophobicContact CG2-CG2 3.97Å
84D96.4Very high98.2Very high171 Ų17126.7 Ų26.791%0.91415%0.147SC*.SBendtrans-89.8-1.4169.4-67-39.9000112
85S96.1Very high97.9Very high21 Ų2134.9 Ų34.915%0.14718%0.178CC..SBendtrans-83.2151.2-176.9-560000112T83 V87 K173T83-S85 VanDerWaalsContact C-N 3.31Å; T83-S85 WeakPolarHBondContact OG1-CB 3.38Å; T83-S85 PolarHBondContact OG1-N 2.79Å; T83-S85 VanDerWaalsContact OG1-N 3.15Å; T83-S85 PolarHBondContact OG1-OG 3.29Å; S85-V87 WeakPolarHBondContact O-CG2 3.12Å; S85-V87 PolarHBondContact O-N 2.71Å; S85-K173 WeakPolarHBondContact OG-CD 3.41Å
86N96.7Very high97.6Very high76 Ų7640.9 Ų40.941%0.40621%0.21SC..EExtended strand (participates in β ladder)trans-68.3122.3172.5-62.8-60.2000109.8D56 V57 V58D56-N86 WeakPolarHBondContact O-CB 3.49Å; D56-N86 PolarHBondContact OD2-ND2 2.91Å; V57-N86 CarbonylContact C-O 3.52Å; V57-N86 WeakPolarHBondContact CA-O 3.12Å; V57-N86 HydrophobicContact CG2-CB 4.09Å; V58-N86 PolarHBondContact N-O 3.19Å
87V98.4Very high97.4Very high12 Ų1241 Ų417%0.07321%0.211CC..EExtended strand (participates in β ladder)trans-112.7129.7179.4-170.70000109.9V58 V60 I79 T83 S85 F89 I172V58-V87 WeakPolarHBondContact O-CA 3.39Å; V58-V87 WeakPolarHBondContact O-CG1 3.2Å; V60-V87 HydrophobicContact CB-CG1 4.38Å; V60-V87 HydrophobicContact CG2-CG1 3.74Å; I79-V87 HydrophobicContact CG2-CG1 4.14Å; I79-V87 HydrophobicContact CG2-CG2 4.3Å; T83-V87 HydrophobicContact CG2-CG2 3.59Å; S85-V87 WeakPolarHBondContact O-CG2 3.12Å; S85-V87 PolarHBondContact O-N 2.71Å; V87-F89 HydrophobicContact CB-CE2 3.99Å; V87-F89 HydrophobicContact CB-CZ 4.11Å; V87-F89 HydrophobicContact CG1-CD1 4.44Å; V87-F89 HydrophobicContact CG1-CD2 4.25Å; V87-F89 HydrophobicContact CG1-CE1 3.86Å; V87-F89 HydrophobicContact CG1-CE2 3.64Å; V87-F89 HydrophobicContact CG1-CZ 3.42Å; V87-F89 VanDerWaalsContact CG1-CZ 3.42Å; V87-I172 HydrophobicContact CG2-CG2 4.1Å
88F98.4Very high97.3Very high47 Ų4742.2 Ų42.221%0.20622%0.219CC..EExtended strand (participates in β ladder)trans-110.9121.1174.8-172.7-79.1000110.7V57 V58 P59 V60 Y90 Q114 K116V57-F88 HydrophobicContact CG1-CB 3.42Å; V57-F88 VanDerWaalsContact CG1-CB 3.42Å; V58-F88 PolarHBondContact O-N 3.38Å; P59-F88 CarbonylContact C-O 3.54Å; P59-F88 WeakPolarHBondContact CA-O 3.46Å; V60-F88 PolarHBondContact N-O 3.01Å; F88-Y90 HydrophobicContact CD1-CD2 4.2Å; F88-Y90 HydrophobicContact CD1-CE1 4.31Å; F88-Y90 AromaticContact CD1-CE2 3.97Å; F88-Y90 HydrophobicContact CD1-CE2 3.97Å; F88-Y90 HydrophobicContact CD1-CG 4.49Å; F88-Y90 AromaticContact CE1-CD1 3.9Å; F88-Y90 HydrophobicContact CE1-CD1 3.9Å; F88-Y90 HydrophobicContact CE1-CD2 4.37Å; F88-Y90 AromaticContact CE1-CE1 3.63Å; F88-Y90 HydrophobicContact CE1-CE1 3.63Å; F88-Y90 HydrophobicContact CE1-CE2 4.13Å; F88-Y90 HydrophobicContact CE1-CG 4.28Å; F88-Y90 AromaticContact CE1-CZ 3.78Å; F88-Q114 WeakPolarHBondContact CA-O 3.37Å; F88-Q114 HydrophobicContact CD2-CB 3.89Å; F88-K116 HydrophobicContact CE1-CB 4Å; F88-K116 HydrophobicContact CZ-CB 3.85Å
89F98.8Very high97.2Very high1 Ų149.7 Ų49.70%0.00425%0.251CS..EExtended strand (participates in β ladder)trans-96.7123.2-178.2-63.5-83.1000112.6V60 I76 I79 I80 V87 I91 I113 Q114 Y115 K116V60-F89 HydrophobicContact CB-CD1 3.9Å; V60-F89 HydrophobicContact CB-CE1 4.01Å; V60-F89 HydrophobicContact CG1-CD1 4.14Å; V60-F89 HydrophobicContact CG1-CE1 4.14Å; V60-F89 HydrophobicContact CG2-CE1 4.44Å; V60-F89 CarbonylContact O-C 3.44Å; V60-F89 WeakPolarHBondContact O-CA 3.48Å; I76-F89 HydrophobicContact CB-CE1 4.45Å; I76-F89 HydrophobicContact CG1-CD1 4.01Å; I76-F89 HydrophobicContact CG1-CE1 4Å; I76-F89 HydrophobicContact CG1-CZ 4.5Å; I76-F89 HydrophobicContact CG2-CD2 4.4Å; I76-F89 HydrophobicContact CG2-CE1 4.3Å; I76-F89 HydrophobicContact CG2-CE2 4.01Å; I76-F89 HydrophobicContact CG2-CZ 3.95Å; I79-F89 HydrophobicContact CB-CE1 4.41Å; I79-F89 HydrophobicContact CB-CZ 4.19Å; I79-F89 HydrophobicContact CD1-CE1 4.01Å; I79-F89 HydrophobicContact CG2-CE1 4.19Å; I79-F89 HydrophobicContact CG2-CZ 3.87Å; I80-F89 HydrophobicContact CG2-CE2 3.48Å; I80-F89 VanDerWaalsContact CG2-CE2 3.48Å; I80-F89 HydrophobicContact CG2-CZ 3.6Å; V87-F89 HydrophobicContact CB-CE2 3.99Å; V87-F89 HydrophobicContact CB-CZ 4.11Å; V87-F89 HydrophobicContact CG1-CD1 4.44Å; V87-F89 HydrophobicContact CG1-CD2 4.25Å; V87-F89 HydrophobicContact CG1-CE1 3.86Å; V87-F89 HydrophobicContact CG1-CE2 3.64Å; V87-F89 HydrophobicContact CG1-CZ 3.42Å; V87-F89 VanDerWaalsContact CG1-CZ 3.42Å; F89-I91 HydrophobicContact CB-CD1 4.41Å; F89-I91 HydrophobicContact CB-CG1 3.97Å; F89-I113 HydrophobicContact CD2-CD1 4.27Å; F89-Q114 PolarHBondContact N-O 3.48Å; F89-Y115 CarbonylContact O-C 3.58Å; F89-Y115 WeakPolarHBondContact O-CA 3.42Å; F89-Y115 WeakPolarHBondContact O-CB 3.48Å; F89-K116 PolarHBondContact O-N 2.77Å
90Y98.7Very high97.1Very high4 Ų450.8 Ų50.82%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-90.6100.6159.4-66.2-74.9000108.8P59 V60 I61 I62 F88 K116 L118 I154 S155 H156P59-Y90 HydrophobicContact CB-CE2 4.12Å; V60-Y90 PolarHBondContact O-N 3.38Å; I61-Y90 WeakPolarHBondContact CA-O 3.49Å; I61-Y90 HydrophobicContact CG1-CD2 4.18Å; I62-Y90 PolarHBondContact N-O 3.08Å; F88-Y90 HydrophobicContact CD1-CD2 4.2Å; F88-Y90 HydrophobicContact CD1-CE1 4.31Å; F88-Y90 AromaticContact CD1-CE2 3.97Å; F88-Y90 HydrophobicContact CD1-CE2 3.97Å; F88-Y90 HydrophobicContact CD1-CG 4.49Å; F88-Y90 AromaticContact CE1-CD1 3.9Å; F88-Y90 HydrophobicContact CE1-CD1 3.9Å; F88-Y90 HydrophobicContact CE1-CD2 4.37Å; F88-Y90 AromaticContact CE1-CE1 3.63Å; F88-Y90 HydrophobicContact CE1-CE1 3.63Å; F88-Y90 HydrophobicContact CE1-CE2 4.13Å; F88-Y90 HydrophobicContact CE1-CG 4.28Å; F88-Y90 AromaticContact CE1-CZ 3.78Å; Y90-K116 HydrophobicContact CD1-CB 4.3Å; Y90-K116 HydrophobicContact CE1-CD 4.42Å; Y90-L118 HydrophobicContact CD1-CD1 3.73Å; Y90-L118 HydrophobicContact CD1-CG 4.38Å; Y90-L118 HydrophobicContact CG-CD1 4.28Å; Y90-I154 HydrophobicContact CD1-CG1 4.36Å; Y90-I154 HydrophobicContact CD2-CG1 4.39Å; Y90-I154 HydrophobicContact CD2-CG2 4.49Å; Y90-I154 HydrophobicContact CE1-CG1 4.3Å; Y90-I154 HydrophobicContact CE2-CB 4.5Å; Y90-I154 HydrophobicContact CE2-CG1 4.33Å; Y90-I154 HydrophobicContact CE2-CG2 3.78Å; Y90-I154 HydrophobicContact CG-CG1 4.38Å; Y90-S155 PolarHBondContact OH-N 3.42Å; Y90-S155 PolarHBondContact OH-OG 3.48Å; Y90-H156 AromaticContact CE2-ND1 3.42Å; Y90-H156 WeakPolarHBondContact CE2-ND1 3.43Å; Y90-H156 AromaticContact CZ-CE1 3.99Å; Y90-H156 AromaticContact CZ-ND1 3.49Å; Y90-H156 PolarHBondContact OH-CE1 3.3Å; Y90-H156 VanDerWaalsContact OH-CE1 3.32Å; Y90-H156 PolarHBondContact OH-ND1 3.16Å
91I98.6Very high97Very high0 Ų048.3 Ų48.30%024%0.244CC..EExtended strand (participates in β ladder)trans-92.2106.1-179.1-56.2177.5000108.2I62 A64 I76 F89 I105 Y115 K116 I117 L118I62-I91 HydrophobicContact CG2-CG1 4.22Å; I62-I91 CarbonylContact O-C 3.54Å; I62-I91 WeakPolarHBondContact O-CA 3.25Å; A64-I91 HydrophobicContact CB-CG2 3.84Å; I76-I91 HydrophobicContact CD1-CD1 3.78Å; I76-I91 HydrophobicContact CD1-CG1 4.25Å; F89-I91 HydrophobicContact CB-CD1 4.41Å; F89-I91 HydrophobicContact CB-CG1 3.97Å; I91-I105 HydrophobicContact CD1-CD1 3.52Å; I91-Y115 HydrophobicContact CD1-CD2 3.98Å; I91-Y115 HydrophobicContact CD1-CG 4.29Å; I91-K116 PolarHBondContact N-O 3.25Å; I91-I117 HydrophobicContact CB-CG1 4.32Å; I91-I117 CarbonylContact O-C 3.58Å; I91-I117 VanDerWaalsContact O-CA 3.28Å; I91-I117 WeakPolarHBondContact O-CA 3.32Å; I91-L118 PolarHBondContact O-N 2.79Å
92V98.6Very high97Very high0 Ų050.9 Ų50.90%024%0.244CC..EExtended strand (participates in β ladder)trans-94.9127-175.9-170.90000110I61 I62 C63 A64 L118 F120 L142 V145 L152I61-V92 HydrophobicContact CG2-CG2 3.89Å; I62-V92 PolarHBondContact O-N 3.09Å; C63-V92 CarbonylContact C-O 3.53Å; C63-V92 VanDerWaalsContact CA-O 3.27Å; C63-V92 WeakPolarHBondContact CA-O 3.04Å; A64-V92 PolarHBondContact N-O 3.2Å; V92-L118 WeakPolarHBondContact CA-O 3.3Å; V92-L118 HydrophobicContact CG2-CB 4.32Å; V92-L118 HydrophobicContact CG2-CD1 4.38Å; V92-F120 HydrophobicContact CG1-CB 3.8Å; V92-L142 HydrophobicContact CG1-CD2 4.37Å; V92-V145 HydrophobicContact CB-CG1 4.05Å; V92-V145 HydrophobicContact CG1-CB 4.45Å; V92-V145 HydrophobicContact CG1-CG1 3.8Å; V92-V145 HydrophobicContact CG1-CG2 3.72Å; V92-V145 HydrophobicContact CG2-CG1 4Å; V92-L152 HydrophobicContact CG1-CD2 4.41Å; V92-L152 HydrophobicContact CG2-CD1 4.03Å
93T98Very high96.9Very high0 Ų050.5 Ų50.50%024%0.244CC..EExtended strand (participates in β ladder)trans-147.7172.6-175.6-168.80000111.9A64 A97 V98 I117 L118 E119 F120A64-T93 VanDerWaalsContact O-CB 3.24Å; A64-T93 WeakPolarHBondContact O-CB 3.49Å; A64-T93 PolarHBondContact O-OG1 3.01Å; T93-A97 WeakPolarHBondContact OG1-CB 3.08Å; T93-V98 HydrophobicContact CG2-CB 4.39Å; T93-V98 HydrophobicContact CG2-CG2 3.65Å; T93-I117 HydrophobicContact CG2-CG2 3.58Å; T93-L118 PolarHBondContact N-O 2.74Å; T93-E119 CarbonylContact O-C 3.48Å; T93-E119 WeakPolarHBondContact O-CA 3.23Å; T93-F120 PolarHBondContact O-N 2.94Å
94L96.9Very high96.9Very high43 Ų4349.9 Ų49.923%0.22524%0.24CC..  trans-85.4157.7170.4-61.3178.9000109.8D96 A97 V98 P141 L142L94-D96 VanDerWaalsContact C-N 3.25Å; L94-D96 PolarHBondContact O-N 2.79Å; L94-D96 VanDerWaalsContact O-N 3.12Å; L94-A97 PolarHBondContact O-N 2.99Å; L94-V98 PolarHBondContact O-N 3.2Å; L94-P141 HydrophobicContact CD2-CB 4.37Å; L94-L142 HydrophobicContact CD2-CD2 4.31Å; L94-L142 HydrophobicContact CG-CD2 4.38Å; L94-L142 HydrophobicContact CG-CG 4.43Å
95R94.3Very high97Very high171 Ų17141.8 Ų41.865%0.64520%0.196SC*.G310 helixtrans-45.6-48.1-176.4178.6171.6-78.3-152.9-7.9113.5A97 V98 E119R95-A97 VanDerWaalsContact C-N 3.28Å; R95-A97 PolarHBondContact O-N 2.9Å; R95-V98 WeakPolarHBondContact O-CB 3.31Å; R95-V98 WeakPolarHBondContact O-CG2 3.31Å; R95-V98 PolarHBondContact O-N 3.19Å; R95-E119 HydrophobicContact CB-CG 4.27Å; R95-E119 IonicContact CZ-OE1 2.97Å; R95-E119 IonicContact NE-OE1 3.53Å; R95-E119 PolarHBondContact NE-OE1 3.36Å; R95-E119 IonicContact NE-OE2 3.35Å; R95-E119 IonicContact NH2-OE1 3.15Å; R95-E119 PolarHBondContact NH2-OE1 3.42Å; R95-E119 IonicContact NH2-OE2 3.64Å
96D91Very high97.1Very high126 Ų12645.7 Ų45.767%0.67421%0.212SC*.G310 helixtrans-72-24.6-172.9-57.4-31.9000112.7L94L94-D96 VanDerWaalsContact C-N 3.25Å; L94-D96 PolarHBondContact O-N 2.79Å; L94-D96 VanDerWaalsContact O-N 3.12Å
97A95.3Very high97.2Very high3 Ų349.1 Ų49.13%0.02522%0.223CC..G310 helixtrans-89-8.1179.400000113.9E66 T93 L94 R95 K99 I100 A101E66-A97 HydrophobicContact CB-CB 4.1Å; T93-A97 WeakPolarHBondContact OG1-CB 3.08Å; L94-A97 PolarHBondContact O-N 2.99Å; R95-A97 VanDerWaalsContact C-N 3.28Å; R95-A97 PolarHBondContact O-N 2.9Å; A97-K99 VanDerWaalsContact C-N 3.33Å; A97-K99 PolarHBondContact O-N 3.5Å; A97-I100 PolarHBondContact O-N 2.87Å; A97-I100 VanDerWaalsContact O-N 3.14Å; A97-A101 PolarHBondContact O-N 2.67Å
98V96.9Very high97.2Very high28 Ų2849.5 Ų49.517%0.1723%0.226CC..Hα-helixtrans-55.6-47.1177.41720000111.7T93 L94 R95 I100 R102 I117T93-V98 HydrophobicContact CG2-CB 4.39Å; T93-V98 HydrophobicContact CG2-CG2 3.65Å; L94-V98 PolarHBondContact O-N 3.2Å; R95-V98 WeakPolarHBondContact O-CB 3.31Å; R95-V98 WeakPolarHBondContact O-CG2 3.31Å; R95-V98 PolarHBondContact O-N 3.19Å; V98-I100 VanDerWaalsContact C-N 3.33Å; V98-R102 WeakPolarHBondContact O-CB 3.35Å; V98-R102 PolarHBondContact O-N 3.11Å; V98-R102 VanDerWaalsContact O-N 3.08Å; V98-I117 HydrophobicContact CB-CG2 4.43Å; V98-I117 HydrophobicContact CG1-CG2 4.11Å; V98-I117 HydrophobicContact CG2-CG2 4.08Å
99K96.4Very high97.1Very high158 Ų15853.8 Ų53.869%0.68725%0.245SC*.Hα-helixtrans-67.8-36.2-179.7-173.3179.1178.9-178.40111.5A97 T103A97-K99 VanDerWaalsContact C-N 3.33Å; A97-K99 PolarHBondContact O-N 3.5Å; K99-T103 VanDerWaalsContact O-CB 3.26Å; K99-T103 WeakPolarHBondContact O-CB 3.2Å; K99-T103 PolarHBondContact O-N 3Å; K99-T103 PolarHBondContact O-OG1 3.17Å
100I95.8Very high97.1Very high24 Ų2453.8 Ų53.812%0.12325%0.245CC..Hα-helixtrans-64.5-55.7179.7-58.8177.7000109E66 T69 A97 V98 R102 T103 Y104E66-I100 HydrophobicContact CB-CD1 4.37Å; E66-I100 HydrophobicContact CG-CD1 3.58Å; E66-I100 WeakPolarHBondContact OE1-CD1 3.31Å; T69-I100 HydrophobicContact CG2-CG2 4.31Å; A97-I100 PolarHBondContact O-N 2.87Å; A97-I100 VanDerWaalsContact O-N 3.14Å; V98-I100 VanDerWaalsContact C-N 3.33Å; I100-R102 VanDerWaalsContact C-N 3.34Å; I100-R102 PolarHBondContact O-N 2.92Å; I100-T103 PolarHBondContact O-N 3.19Å; I100-Y104 WeakPolarHBondContact O-CB 3.35Å; I100-Y104 PolarHBondContact O-N 2.94Å
101A97.1Very high97.1Very high0 Ų061.3 Ų61.30%028%0.278CS..Hα-helixtrans-56.5-46.1178.600000112.3T69 M73 A97 Y104 I105 I117T69-A101 HydrophobicContact CG2-CB 4.31Å; M73-A101 HydrophobicContact CE-CB 4.32Å; A97-A101 PolarHBondContact O-N 2.67Å; A101-Y104 PolarHBondContact O-N 3.43Å; A101-I105 WeakPolarHBondContact O-CG1 3.44Å; A101-I105 PolarHBondContact O-N 3.4Å; A101-I105 VanDerWaalsContact O-N 3.15Å; A101-I117 HydrophobicContact CB-CD1 4.24Å
102R97.6Very high97Very high116 Ų11664.8 Ų64.844%0.43831%0.313SS..Hα-helixtrans-61.5-48.9178-174.5179.5-58.31564.2112.4V98 I100 Y104 I105 E106 I117V98-R102 WeakPolarHBondContact O-CB 3.35Å; V98-R102 PolarHBondContact O-N 3.11Å; V98-R102 VanDerWaalsContact O-N 3.08Å; I100-R102 VanDerWaalsContact C-N 3.34Å; I100-R102 PolarHBondContact O-N 2.92Å; R102-Y104 VanDerWaalsContact C-N 3.27Å; R102-Y104 PolarHBondContact O-N 3.15Å; R102-I105 PolarHBondContact O-N 3.07Å; R102-E106 WeakPolarHBondContact CD-OE1 3.41Å; R102-E106 HydrophobicContact CG-CG 4.34Å; R102-E106 WeakPolarHBondContact CG-OE1 3.39Å; R102-E106 WeakPolarHBondContact O-CG 3.43Å; R102-E106 PolarHBondContact O-N 2.72Å; R102-I117 HydrophobicContact CB-CD1 3.8Å
103T97.1Very high96.9Very high44 Ų4466 Ų6627%0.2732%0.319SS..Hα-helixtrans-62.6-39.1-178.2-57.60000110.9K99 I100 E106 K107K99-T103 VanDerWaalsContact O-CB 3.26Å; K99-T103 WeakPolarHBondContact O-CB 3.2Å; K99-T103 PolarHBondContact O-N 3Å; K99-T103 PolarHBondContact O-OG1 3.17Å; I100-T103 PolarHBondContact O-N 3.19Å; T103-E106 PolarHBondContact O-N 2.69Å; T103-K107 HydrophobicContact CG2-CD 3.79Å; T103-K107 HydrophobicContact CG2-CG 4.21Å; T103-K107 VanDerWaalsContact O-CB 3.28Å; T103-K107 WeakPolarHBondContact O-CB 3.41Å; T103-K107 WeakPolarHBondContact O-CG 3.48Å; T103-K107 PolarHBondContact O-N 3.47Å
104Y98Very high96.9Very high2 Ų270.3 Ų70.31%0.00834%0.34CS..Hα-helixtrans-60.3-50.1177.1-152.8136.9000110.8T69 M73 I100 A101 R102 E106 K107 T108 I343 D345 P346T69-Y104 HydrophobicContact CG2-CD1 3.79Å; T69-Y104 HydrophobicContact CG2-CE1 4.47Å; T69-Y104 HydrophobicContact CG2-CG 4.46Å; M73-Y104 HydrophobicContact CB-CD2 4.38Å; M73-Y104 HydrophobicContact CB-CE2 4.04Å; M73-Y104 HydrophobicContact CE-CG 4.46Å; M73-Y104 HydrophobicContact CG-CD1 4.06Å; M73-Y104 HydrophobicContact CG-CD2 3.63Å; M73-Y104 HydrophobicContact CG-CE1 4.15Å; M73-Y104 HydrophobicContact CG-CE2 3.75Å; M73-Y104 HydrophobicContact CG-CG 3.79Å; I100-Y104 WeakPolarHBondContact O-CB 3.35Å; I100-Y104 PolarHBondContact O-N 2.94Å; A101-Y104 PolarHBondContact O-N 3.43Å; R102-Y104 VanDerWaalsContact C-N 3.27Å; R102-Y104 PolarHBondContact O-N 3.15Å; Y104-E106 PolarHBondContact O-N 3.41Å; Y104-K107 PolarHBondContact O-N 3.3Å; Y104-T108 HydrophobicContact CD2-CG2 3.63Å; Y104-T108 HydrophobicContact CE2-CG2 3.78Å; Y104-T108 WeakPolarHBondContact O-CB 3.4Å; Y104-T108 WeakPolarHBondContact O-CG2 3.45Å; Y104-T108 PolarHBondContact O-N 3.04Å; Y104-T108 PolarHBondContact O-OG1 3.42Å; Y104-I343 HydrophobicContact CE2-CB 4.39Å; Y104-I343 HydrophobicContact CE2-CG2 4.11Å; Y104-I343 PolarHBondContact OH-O 3.05Å; Y104-D345 HydrophobicContact CD1-CB 4.44Å; Y104-D345 HydrophobicContact CE1-CB 3.54Å; Y104-D345 VanDerWaalsContact CE1-CG 3.46Å; Y104-D345 VanDerWaalsContact OH-CA 3.26Å; Y104-D345 WeakPolarHBondContact OH-CA 3.42Å; Y104-D345 PolarHBondContact OH-N 3.36Å; Y104-P346 HydrophobicContact CD2-CG 4.42Å
105I98.4Very high97Very high1 Ų171.3 Ų71.31%0.00534%0.341CS..Hα-helixtrans-60-49.4178.5-65.6163.9000110.7M73 I91 A101 R102 K107 T108 L110 K111 I113 Y115M73-I105 HydrophobicContact CE-CD1 4.22Å; M73-I105 HydrophobicContact CE-CG1 3.9Å; M73-I105 HydrophobicContact SD-CD1 4.45Å; M73-I105 HydrophobicContact SD-CG1 3.74Å; I91-I105 HydrophobicContact CD1-CD1 3.52Å; A101-I105 WeakPolarHBondContact O-CG1 3.44Å; A101-I105 PolarHBondContact O-N 3.4Å; A101-I105 VanDerWaalsContact O-N 3.15Å; R102-I105 PolarHBondContact O-N 3.07Å; I105-K107 VanDerWaalsContact C-N 3.28Å; I105-K107 PolarHBondContact O-N 3.06Å; I105-T108 PolarHBondContact O-N 3.22Å; I105-T108 PolarHBondContact O-OG1 3.19Å; I105-L110 HydrophobicContact CG2-CB 4.19Å; I105-L110 WeakPolarHBondContact CG2-O 3.17Å; I105-L110 CarbonylContact O-C 3.52Å; I105-K111 WeakPolarHBondContact O-CA 3.47Å; I105-K111 PolarHBondContact O-N 3.25Å; I105-K111 VanDerWaalsContact O-N 3.1Å; I105-I113 HydrophobicContact CD1-CD1 4.41Å; I105-I113 HydrophobicContact CG1-CD1 4.49Å; I105-I113 HydrophobicContact CG2-CD1 4.15Å; I105-I113 HydrophobicContact CG2-CG1 4.08Å; I105-Y115 HydrophobicContact CD1-CD2 4.03Å; I105-Y115 HydrophobicContact CD1-CE1 4.43Å; I105-Y115 HydrophobicContact CD1-CE2 3.81Å; I105-Y115 HydrophobicContact CD1-CG 4.42Å; I105-Y115 HydrophobicContact CG2-CE1 3.89Å
106E98Very high97.2Very high103 Ų10368 Ų6848%0.48133%0.331SS..Hα-helixtrans-64.9-28.7-176.3-73.1173-17900114R102 T103 Y104R102-E106 WeakPolarHBondContact CD-OE1 3.41Å; R102-E106 HydrophobicContact CG-CG 4.34Å; R102-E106 WeakPolarHBondContact CG-OE1 3.39Å; R102-E106 WeakPolarHBondContact O-CG 3.43Å; R102-E106 PolarHBondContact O-N 2.72Å; T103-E106 PolarHBondContact O-N 2.69Å; Y104-E106 PolarHBondContact O-N 3.41Å
107K98.1Very high97.5Very high148 Ų14863.3 Ų63.364%0.64331%0.306SS*.THydrogen-bonded Turntrans-99.74.2-175.9-68.7-167.7176.9-1720114.4T103 Y104 I105 P346T103-K107 HydrophobicContact CG2-CD 3.79Å; T103-K107 HydrophobicContact CG2-CG 4.21Å; T103-K107 VanDerWaalsContact O-CB 3.28Å; T103-K107 WeakPolarHBondContact O-CB 3.41Å; T103-K107 WeakPolarHBondContact O-CG 3.48Å; T103-K107 PolarHBondContact O-N 3.47Å; Y104-K107 PolarHBondContact O-N 3.3Å; I105-K107 VanDerWaalsContact C-N 3.28Å; I105-K107 PolarHBondContact O-N 3.06Å; K107-P346 HydrophobicContact CB-CB 4.02Å; K107-P346 HydrophobicContact CB-CG 3.78Å; K107-P346 HydrophobicContact CD-CB 4.14Å
108T98.3Very high97.6Very high21 Ų2164 Ų6413%0.12931%0.309CS..SBendtrans-124.9-178.5-179.162.10000111.4Y104 I105 L110 K111 I343 P346Y104-T108 HydrophobicContact CD2-CG2 3.63Å; Y104-T108 HydrophobicContact CE2-CG2 3.78Å; Y104-T108 WeakPolarHBondContact O-CB 3.4Å; Y104-T108 WeakPolarHBondContact O-CG2 3.45Å; Y104-T108 PolarHBondContact O-N 3.04Å; Y104-T108 PolarHBondContact O-OG1 3.42Å; I105-T108 PolarHBondContact O-N 3.22Å; I105-T108 PolarHBondContact O-OG1 3.19Å; T108-L110 PolarHBondContact O-N 3.3Å; T108-L110 PolarHBondContact OG1-N 2.85Å; T108-K111 WeakPolarHBondContact O-CB 3.32Å; T108-K111 PolarHBondContact O-N 3.49Å; T108-I343 HydrophobicContact CG2-CG2 3.59Å; T108-P346 HydrophobicContact CG2-CG 3.52Å
109K97.4Very high97.6Very high137 Ų13767.4 Ų67.460%0.59632%0.323SS*.THydrogen-bonded Turntrans-62-9.5174.263.4168.6177.1166.90114.2N77 K111 I343N77-K109 VanDerWaalsContact CG-NZ 3.32Å; N77-K109 PolarHBondContact ND2-NZ 2.86Å; N77-K109 WeakPolarHBondContact OD1-CE 3.11Å; N77-K109 PolarHBondContact OD1-NZ 2.76Å; K109-K111 PolarHBondContact O-N 2.86Å; K109-I343 HydrophobicContact CD-CD1 4.31Å; K109-I343 HydrophobicContact CG-CD1 3.8Å; K109-I343 HydrophobicContact CG-CG1 4.48Å
110L98.4Very high97.7Very high1 Ų160.3 Ų60.31%0.00529%0.292CS..THydrogen-bonded Turntrans-77.7-3.6173.3-59.1-176.6000112.9M73 I76 N77 I80 I105 T108 G112 I113 I343M73-L110 HydrophobicContact CB-CD1 3.83Å; M73-L110 HydrophobicContact CG-CD1 4.08Å; M73-L110 HydrophobicContact SD-CD1 3.54Å; M73-L110 VanDerWaalsContact SD-CD1 3.54Å; I76-L110 HydrophobicContact CG2-CD1 4.17Å; I76-L110 HydrophobicContact CG2-CD2 4.13Å; N77-L110 HydrophobicContact CB-CD2 4.16Å; I80-L110 HydrophobicContact CD1-CD2 3.52Å; I105-L110 HydrophobicContact CG2-CB 4.19Å; I105-L110 WeakPolarHBondContact CG2-O 3.17Å; I105-L110 CarbonylContact O-C 3.52Å; T108-L110 PolarHBondContact O-N 3.3Å; T108-L110 PolarHBondContact OG1-N 2.85Å; L110-G112 PolarHBondContact O-N 3.18Å; L110-G112 VanDerWaalsContact O-N 3.09Å; L110-I113 HydrophobicContact CB-CD1 4.4Å; L110-I113 HydrophobicContact CB-CG2 4.5Å; L110-I113 WeakPolarHBondContact O-CG1 3.42Å; L110-I113 WeakPolarHBondContact O-CG2 3.45Å; L110-I113 PolarHBondContact O-N 2.85Å; L110-I343 HydrophobicContact CD1-CD1 3.84Å; L110-I343 HydrophobicContact CD2-CD1 3.79Å; L110-I343 HydrophobicContact CG-CD1 3.55Å
111K98.1Very high97.7Very high162 Ų16263.4 Ų63.470%0.70431%0.309SS*.THydrogen-bonded Turntrans-57118174.6-177.8-179.7-179.5179.50109.9I105 T108 K109I105-K111 WeakPolarHBondContact O-CA 3.47Å; I105-K111 PolarHBondContact O-N 3.25Å; I105-K111 VanDerWaalsContact O-N 3.1Å; T108-K111 WeakPolarHBondContact O-CB 3.32Å; T108-K111 PolarHBondContact O-N 3.49Å; K109-K111 PolarHBondContact O-N 2.86Å
112G96.6Very high97.5Very high72 Ų7266.1 Ų66.174%0.74233%0.326SS*.THydrogen-bonded Turntrans106.4-3.9177.600000115.2L110L110-G112 PolarHBondContact O-N 3.18Å; L110-G112 VanDerWaalsContact O-N 3.09Å
113I98Very high97.3Very high27 Ų2765.9 Ų65.914%0.13833%0.332CS..  trans-59154.3169.366.7176.6000110.9I76 I80 F89 I105 L110 Y115I76-I113 HydrophobicContact CG2-CD1 3.85Å; I80-I113 HydrophobicContact CD1-CG2 3.75Å; I80-I113 HydrophobicContact CG2-CG2 4.4Å; F89-I113 HydrophobicContact CD2-CD1 4.27Å; I105-I113 HydrophobicContact CD1-CD1 4.41Å; I105-I113 HydrophobicContact CG1-CD1 4.49Å; I105-I113 HydrophobicContact CG2-CD1 4.15Å; I105-I113 HydrophobicContact CG2-CG1 4.08Å; L110-I113 HydrophobicContact CB-CD1 4.4Å; L110-I113 HydrophobicContact CB-CG2 4.5Å; L110-I113 WeakPolarHBondContact O-CG1 3.42Å; L110-I113 WeakPolarHBondContact O-CG2 3.45Å; L110-I113 PolarHBondContact O-N 2.85Å; I113-Y115 HydrophobicContact CD1-CD1 4.33Å; I113-Y115 HydrophobicContact CG1-CD1 3.73Å; I113-Y115 HydrophobicContact CG1-CE1 4.35Å; I113-Y115 HydrophobicContact CG1-CG 4.41Å; I113-Y115 WeakPolarHBondContact O-CD1 3.39Å
114Q97.9Very high97.2Very high90 Ų9066.1 Ų66.142%0.42133%0.333SS..EExtended strand (participates in β ladder)trans-85.7118.3173.2-60.4-178.8-21.800109.4F88 F89F88-Q114 WeakPolarHBondContact CA-O 3.37Å; F88-Q114 HydrophobicContact CD2-CB 3.89Å; F89-Q114 PolarHBondContact N-O 3.48Å
115Y98.3Very high97Very high64 Ų6466.8 Ų66.825%0.25134%0.337SS..EExtended strand (participates in β ladder)trans-154.2162.3-178.673.2-75.6000113.7F89 I91 I105 I113 I117F89-Y115 CarbonylContact O-C 3.58Å; F89-Y115 WeakPolarHBondContact O-CA 3.42Å; F89-Y115 WeakPolarHBondContact O-CB 3.48Å; I91-Y115 HydrophobicContact CD1-CD2 3.98Å; I91-Y115 HydrophobicContact CD1-CG 4.29Å; I105-Y115 HydrophobicContact CD1-CD2 4.03Å; I105-Y115 HydrophobicContact CD1-CE1 4.43Å; I105-Y115 HydrophobicContact CD1-CE2 3.81Å; I105-Y115 HydrophobicContact CD1-CG 4.42Å; I105-Y115 HydrophobicContact CG2-CE1 3.89Å; I113-Y115 HydrophobicContact CD1-CD1 4.33Å; I113-Y115 HydrophobicContact CG1-CD1 3.73Å; I113-Y115 HydrophobicContact CG1-CE1 4.35Å; I113-Y115 HydrophobicContact CG1-CG 4.41Å; I113-Y115 WeakPolarHBondContact O-CD1 3.39Å; Y115-I117 HydrophobicContact CD2-CD1 4.42Å; Y115-I117 HydrophobicContact CD2-CG1 3.83Å; Y115-I117 HydrophobicContact CE2-CD1 3.81Å; Y115-I117 HydrophobicContact CE2-CG1 3.71Å
116K98.2Very high96.6Very high100 Ų10076.4 Ų76.444%0.43537%0.373SS..EExtended strand (participates in β ladder)trans-133.7125.5165.8-175.5176.6-179.6-177.10109.1F88 F89 Y90 I91 L118F88-K116 HydrophobicContact CE1-CB 4Å; F88-K116 HydrophobicContact CZ-CB 3.85Å; F89-K116 PolarHBondContact O-N 2.77Å; Y90-K116 HydrophobicContact CD1-CB 4.3Å; Y90-K116 HydrophobicContact CE1-CD 4.42Å; I91-K116 PolarHBondContact N-O 3.25Å; K116-L118 HydrophobicContact CD-CD2 3.77Å; K116-L118 HydrophobicContact CG-CD2 3.85Å; K116-L118 HydrophobicContact CG-CG 4.46Å
117I98.2Very high96.1Very high29 Ų2973.5 Ų73.515%0.14937%0.371CS..EExtended strand (participates in β ladder)trans-82.6127.9170.9-60.7172000108.7I91 T93 V98 A101 R102 Y115I91-I117 HydrophobicContact CB-CG1 4.32Å; I91-I117 CarbonylContact O-C 3.58Å; I91-I117 VanDerWaalsContact O-CA 3.28Å; I91-I117 WeakPolarHBondContact O-CA 3.32Å; T93-I117 HydrophobicContact CG2-CG2 3.58Å; V98-I117 HydrophobicContact CB-CG2 4.43Å; V98-I117 HydrophobicContact CG1-CG2 4.11Å; V98-I117 HydrophobicContact CG2-CG2 4.08Å; A101-I117 HydrophobicContact CB-CD1 4.24Å; R102-I117 HydrophobicContact CB-CD1 3.8Å; Y115-I117 HydrophobicContact CD2-CD1 4.42Å; Y115-I117 HydrophobicContact CD2-CG1 3.83Å; Y115-I117 HydrophobicContact CE2-CD1 3.81Å; Y115-I117 HydrophobicContact CE2-CG1 3.71Å
118L97.9Very high95.7Very high16 Ų1668.1 Ų68.18%0.08435%0.347CS..EExtended strand (participates in β ladder)trans-115128.9179.2-59.6178000109.8Y90 I91 V92 T93 K116 L152Y90-L118 HydrophobicContact CD1-CD1 3.73Å; Y90-L118 HydrophobicContact CD1-CG 4.38Å; Y90-L118 HydrophobicContact CG-CD1 4.28Å; I91-L118 PolarHBondContact O-N 2.79Å; V92-L118 WeakPolarHBondContact CA-O 3.3Å; V92-L118 HydrophobicContact CG2-CB 4.32Å; V92-L118 HydrophobicContact CG2-CD1 4.38Å; T93-L118 PolarHBondContact N-O 2.74Å; K116-L118 HydrophobicContact CD-CD2 3.77Å; K116-L118 HydrophobicContact CG-CD2 3.85Å; K116-L118 HydrophobicContact CG-CG 4.46Å; L118-L152 HydrophobicContact CD1-CB 4Å; L118-L152 WeakPolarHBondContact CD1-O 3.34Å
119E96.8Very high95.2Very high100 Ų10068.4 Ų68.447%0.46735%0.349SS..EExtended strand (participates in β ladder)trans-82.4122.1173.9-176.3177.3146.200109.7T93 R95T93-E119 CarbonylContact O-C 3.48Å; T93-E119 WeakPolarHBondContact O-CA 3.23Å; R95-E119 HydrophobicContact CB-CG 4.27Å; R95-E119 IonicContact CZ-OE1 2.97Å; R95-E119 IonicContact NE-OE1 3.53Å; R95-E119 PolarHBondContact NE-OE1 3.36Å; R95-E119 IonicContact NE-OE2 3.35Å; R95-E119 IonicContact NH2-OE1 3.15Å; R95-E119 PolarHBondContact NH2-OE1 3.42Å; R95-E119 IonicContact NH2-OE2 3.64Å
120F97.3Very high94.3Very high9 Ų965.1 Ų65.14%0.03933%0.334CS..  trans-89.9123.7171.5-174.6-112.9000110.1V92 T93 P122 V124 L125 P141 L142 V145 Y148 L152V92-F120 HydrophobicContact CG1-CB 3.8Å; T93-F120 PolarHBondContact O-N 2.94Å; F120-P122 VanDerWaalsContact O-CD 3.24Å; F120-P122 WeakPolarHBondContact O-CD 3.48Å; F120-V124 HydrophobicContact CE1-CG2 4.37Å; F120-V124 HydrophobicContact CE2-CG2 4.05Å; F120-V124 HydrophobicContact CZ-CG2 3.61Å; F120-L125 HydrophobicContact CE1-CD1 4.25Å; F120-P141 HydrophobicContact CD1-CB 4.27Å; F120-P141 HydrophobicContact CE1-CB 4.17Å; F120-P141 WeakPolarHBondContact CE1-O 3.39Å; F120-L142 HydrophobicContact CB-CD2 4.05Å; F120-L142 HydrophobicContact CD1-CD2 4.37Å; F120-V145 HydrophobicContact CB-CG2 4.15Å; F120-V145 HydrophobicContact CD1-CG2 3.94Å; F120-V145 HydrophobicContact CD2-CG2 3.79Å; F120-V145 HydrophobicContact CE1-CG2 4.26Å; F120-V145 HydrophobicContact CE2-CG2 4.13Å; F120-V145 HydrophobicContact CG-CG2 3.69Å; F120-V145 HydrophobicContact CZ-CG2 4.35Å; F120-Y148 AromaticContact CE2-CD2 3.79Å; F120-Y148 HydrophobicContact CE2-CD2 3.79Å; F120-Y148 HydrophobicContact CE2-CG 4.05Å; F120-Y148 AromaticContact CZ-CD2 3.8Å; F120-Y148 HydrophobicContact CZ-CD2 3.8Å; F120-Y148 HydrophobicContact CZ-CE2 4.17Å; F120-Y148 HydrophobicContact CZ-CG 4.48Å; F120-L152 HydrophobicContact CD2-CD2 4.08Å
121N95.4Very high92.8Very high89 Ų8970 Ų7048%0.47637%0.366SS..  trans-86.4107.9176.7-177.9-5000110.3M123 V124N121-M123 PolarHBondContact O-N 3.24Å; N121-M123 VanDerWaalsContact O-N 3.09Å; N121-M123 WeakPolarHBondContact OD1-CB 3.43Å; N121-M123 VanDerWaalsContact OD1-CG 3.27Å; N121-M123 WeakPolarHBondContact OD1-CG 3.38Å; N121-M123 PolarHBondContact OD1-N 3.03Å; N121-V124 WeakPolarHBondContact O-CG2 3.47Å; N121-V124 PolarHBondContact O-N 3.42Å
122P93.8Very high91.2Very high57 Ų5769.4 Ų69.437%0.3737%0.371SS..G310 helixtrans-66.4-13.9-177.129-36.2000113.4F120 V124 L125 P141F120-P122 VanDerWaalsContact O-CD 3.24Å; F120-P122 WeakPolarHBondContact O-CD 3.48Å; P122-V124 PolarHBondContact O-N 3.45Å; P122-V124 VanDerWaalsContact O-N 3.11Å; P122-L125 WeakPolarHBondContact O-CB 3.4Å; P122-L125 PolarHBondContact O-N 2.97Å; P122-P141 HydrophobicContact CB-CB 3.9Å; P122-P141 HydrophobicContact CB-CG 3.94Å
123M93.4Very high89.7Confident112 Ų11267.5 Ų67.555%0.55235%0.346SS*.G310 helixtrans-60.7-22.5178.2-66.5-56.8-58.700113.4N121 L125 R126N121-M123 PolarHBondContact O-N 3.24Å; N121-M123 VanDerWaalsContact O-N 3.09Å; N121-M123 WeakPolarHBondContact OD1-CB 3.43Å; N121-M123 VanDerWaalsContact OD1-CG 3.27Å; N121-M123 WeakPolarHBondContact OD1-CG 3.38Å; N121-M123 PolarHBondContact OD1-N 3.03Å; M123-L125 PolarHBondContact O-N 2.85Å; M123-R126 VanDerWaalsContact O-CB 3.32Å; M123-R126 WeakPolarHBondContact O-CB 3.48Å; M123-R126 PolarHBondContact O-N 3.48Å; M123-R126 VanDerWaalsContact O-N 3.15Å
124V94.2Very high88.1Confident49 Ų4970.7 Ų70.730%0.29737%0.371SS..G310 helixtrans-62-21.1174.6-56.10000112.7F120 N121 P122 K128 Y148F120-V124 HydrophobicContact CE1-CG2 4.37Å; F120-V124 HydrophobicContact CE2-CG2 4.05Å; F120-V124 HydrophobicContact CZ-CG2 3.61Å; N121-V124 WeakPolarHBondContact O-CG2 3.47Å; N121-V124 PolarHBondContact O-N 3.42Å; P122-V124 PolarHBondContact O-N 3.45Å; P122-V124 VanDerWaalsContact O-N 3.11Å; V124-K128 WeakPolarHBondContact O-CD 3.42Å; V124-K128 WeakPolarHBondContact O-CE 3.38Å; V124-K128 PolarHBondContact O-NZ 3.07Å; V124-Y148 HydrophobicContact CB-CE1 4.31Å; V124-Y148 HydrophobicContact CG2-CD2 4.47Å; V124-Y148 HydrophobicContact CG2-CE1 4.14Å; V124-Y148 HydrophobicContact CG2-CE2 3.98Å
125L93.7Very high86.5Confident16 Ų1670.9 Ų70.98%0.08437%0.367CS..G310 helixtrans-88.4-7.9-179.8-53.8178.9000113.4F120 P122 M123 G127 K128 V129 P141 F144 Y148 M258F120-L125 HydrophobicContact CE1-CD1 4.25Å; P122-L125 WeakPolarHBondContact O-CB 3.4Å; P122-L125 PolarHBondContact O-N 2.97Å; M123-L125 PolarHBondContact O-N 2.85Å; L125-G127 PolarHBondContact O-N 2.84Å; L125-K128 WeakPolarHBondContact O-CB 3.43Å; L125-K128 PolarHBondContact O-N 2.92Å; L125-V129 HydrophobicContact CB-CG2 4.11Å; L125-V129 HydrophobicContact CD2-CG2 4.43Å; L125-V129 PolarHBondContact O-N 2.86Å; L125-P141 HydrophobicContact CD1-CB 3.89Å; L125-F144 HydrophobicContact CD1-CB 4.2Å; L125-F144 HydrophobicContact CD1-CD2 3.68Å; L125-F144 HydrophobicContact CD1-CE2 4.41Å; L125-F144 HydrophobicContact CD1-CG 4.13Å; L125-F144 HydrophobicContact CD2-CB 3.63Å; L125-F144 HydrophobicContact CD2-CD1 4.41Å; L125-F144 HydrophobicContact CD2-CD2 4.22Å; L125-F144 HydrophobicContact CD2-CG 3.83Å; L125-Y148 HydrophobicContact CD2-CE2 3.9Å; L125-M258 HydrophobicContact CD2-CE 3.84Å
126R90.7Very high85.2Confident203 Ų20372.3 Ų72.377%0.76639%0.385SS*.THydrogen-bonded Turntrans-58.8124.2-177.8-175.7178.4-179.8179.11.6110.4M123 K128M123-R126 VanDerWaalsContact O-CB 3.32Å; M123-R126 WeakPolarHBondContact O-CB 3.48Å; M123-R126 PolarHBondContact O-N 3.48Å; M123-R126 VanDerWaalsContact O-N 3.15Å; R126-K128 VanDerWaalsContact C-N 3.25Å; R126-K128 PolarHBondContact O-N 3.34Å
127G87.6Confident83.8Confident42 Ų4271.6 Ų71.643%0.43339%0.386SS..THydrogen-bonded Turntrans76.17-178.200000114.9L125 F262L125-G127 PolarHBondContact O-N 2.84Å; G127-F262 WeakPolarHBondContact O-CG 3.3Å
128K90.6Very high82.6Confident35 Ų3571.7 Ų71.715%0.15239%0.386CS..THydrogen-bonded Turntrans-115.9-18.4179.2-55.6-178.1-174.3147.20113V124 L125 R126 E255 M258 E259V124-K128 WeakPolarHBondContact O-CD 3.42Å; V124-K128 WeakPolarHBondContact O-CE 3.38Å; V124-K128 PolarHBondContact O-NZ 3.07Å; L125-K128 WeakPolarHBondContact O-CB 3.43Å; L125-K128 PolarHBondContact O-N 2.92Å; R126-K128 VanDerWaalsContact C-N 3.25Å; R126-K128 PolarHBondContact O-N 3.34Å; K128-E255 HydrophobicContact CD-CB 4.48Å; K128-E255 HydrophobicContact CD-CG 4.39Å; K128-E255 IonicContact NZ-OE1 3.74Å; K128-E255 PolarHBondContact NZ-OE1 3.22Å; K128-M258 HydrophobicContact CB-CB 3.94Å; K128-M258 HydrophobicContact CB-CE 3.88Å; K128-M258 CarbonylContact O-C 3.59Å; K128-E259 HydrophobicContact CG-CG 3.9Å
129V86Confident81.8Confident26 Ų2672.4 Ų72.416%0.15839%0.39CS..SBendtrans-125.3125.6179.8-177.30000108.5L125 L139 F144 M258 F262L125-V129 HydrophobicContact CB-CG2 4.11Å; L125-V129 HydrophobicContact CD2-CG2 4.43Å; L125-V129 PolarHBondContact O-N 2.86Å; V129-L139 HydrophobicContact CG1-CD2 3.67Å; V129-F144 HydrophobicContact CB-CZ 4.47Å; V129-F144 HydrophobicContact CG1-CE2 4.24Å; V129-F144 HydrophobicContact CG1-CZ 3.98Å; V129-F144 HydrophobicContact CG2-CD1 4.42Å; V129-F144 HydrophobicContact CG2-CD2 4.46Å; V129-F144 HydrophobicContact CG2-CE1 3.87Å; V129-F144 HydrophobicContact CG2-CE2 3.91Å; V129-F144 HydrophobicContact CG2-CZ 3.58Å; V129-M258 HydrophobicContact CG2-CE 3.56Å; V129-F262 WeakPolarHBondContact O-CE2 3.28Å
130K78.9Confident81.5Confident68 Ų6870.5 Ų70.530%0.29638%0.381SS..  trans-74129.6175.5-71.5-171.6179.5-177.20109D132 L139 F262K130-D132 VanDerWaalsContact C-N 3.27Å; K130-D132 PolarHBondContact O-N 2.86Å; K130-L139 VanDerWaalsContact O-CD1 3.3Å; K130-L139 WeakPolarHBondContact O-CD1 3.46Å; K130-F262 HydrophobicContact CB-CD2 4.42Å; K130-F262 WeakPolarHBondContact CE-O 3.36Å; K130-F262 HydrophobicContact CG-CD2 3.6Å; K130-F262 HydrophobicContact CG-CE2 3.9Å; K130-F262 HydrophobicContact CG-CG 4.27Å; K130-F262 PolarHBondContact NZ-O 3Å
131P67.5Low81.3Confident103 Ų10371.6 Ų71.667%0.66939%0.389SS*.SBendtrans-69.1-29.3176.826.9-32000111.9S133 L139P131-S133 PolarHBondContact O-N 3.06Å; P131-L139 WeakPolarHBondContact O-CD1 3.38Å
132D63.4Low81.3Confident151 Ų15167.4 Ų67.481%0.80737%0.367SS*.  trans-85.293.4179.6-57.9-29000110.1K130K130-D132 VanDerWaalsContact C-N 3.27Å; K130-D132 PolarHBondContact O-N 2.86Å
133S66.9Low81.2Confident31 Ų3166 Ų6622%0.21736%0.356CS..  trans-123.1142.4170.6173.70000108.7P131 R135P131-S133 PolarHBondContact O-N 3.06Å; S133-R135 PolarHBondContact O-N 3.35Å; S133-R135 VanDerWaalsContact O-N 3.12Å; S133-R135 PolarHBondContact OG-N 3.08Å; S133-R135 PolarHBondContact OG-O 2.99Å; S133-R135 VanDerWaalsContact OG-O 3.08Å
134S62.5Low81.3Confident95 Ų9560.8 Ų60.866%0.66433%0.33SS*.SBendtrans-63.3-1116853.30000113
135R65.6Low81.5Confident93 Ų9358.5 Ų58.535%0.35132%0.316SS..  trans-131.679.7-178.4-64.5-62.2-59.1-92-5.5109.9S133 D137 L138S133-R135 PolarHBondContact O-N 3.35Å; S133-R135 VanDerWaalsContact O-N 3.12Å; S133-R135 PolarHBondContact OG-N 3.08Å; S133-R135 PolarHBondContact OG-O 2.99Å; S133-R135 VanDerWaalsContact OG-O 3.08Å; R135-D137 VanDerWaalsContact C-N 3.27Å; R135-D137 WeakPolarHBondContact CA-OD1 3.44Å; R135-D137 IonicContact CZ-OD2 2.92Å; R135-D137 IonicContact NE-OD1 3.67Å; R135-D137 PolarHBondContact NE-OD1 3.43Å; R135-D137 IonicContact NE-OD2 3.94Å; R135-D137 IonicContact NH2-OD1 3.27Å; R135-D137 IonicContact NH2-OD2 3.66Å; R135-D137 PolarHBondContact NH2-OD2 3.38Å; R135-D137 PolarHBondContact O-N 2.81Å; R135-L138 HydrophobicContact CB-CB 4.47Å; R135-L138 HydrophobicContact CB-CD1 3.65Å; R135-L138 HydrophobicContact CB-CG 3.97Å; R135-L138 HydrophobicContact CG-CD1 4.24Å; R135-L138 PolarHBondContact O-N 2.97Å
136P70.8Confident81.6Confident95 Ų9558.3 Ų58.362%0.61732%0.315SS*.G310 helixtrans-67-27.3-17626-34000113L138 L139P136-L138 PolarHBondContact O-N 2.69Å; P136-L139 WeakPolarHBondContact O-CB 3.39Å; P136-L139 PolarHBondContact O-N 3.25Å
137D68.7Low82Confident85 Ų8548.7 Ų48.746%0.45528%0.278SS..G310 helixtrans-53.9-36.6173.154.1-49.9000112.5R135 L139 N143R135-D137 VanDerWaalsContact C-N 3.27Å; R135-D137 WeakPolarHBondContact CA-OD1 3.44Å; R135-D137 IonicContact CZ-OD2 2.92Å; R135-D137 IonicContact NE-OD1 3.67Å; R135-D137 PolarHBondContact NE-OD1 3.43Å; R135-D137 IonicContact NE-OD2 3.94Å; R135-D137 IonicContact NH2-OD1 3.27Å; R135-D137 IonicContact NH2-OD2 3.66Å; R135-D137 PolarHBondContact NH2-OD2 3.38Å; R135-D137 PolarHBondContact O-N 2.81Å; D137-L139 VanDerWaalsContact C-N 3.25Å; D137-L139 PolarHBondContact O-N 2.93Å; D137-N143 PolarHBondContact O-ND2 3.28Å
138L72.4Confident82.4Confident31 Ų3147 Ų4716%0.16226%0.259CS..G310 helixtrans-76.2-12.5-179.6-58.8179.4000113.4R135 P136 N143 G274 V275R135-L138 HydrophobicContact CB-CB 4.47Å; R135-L138 HydrophobicContact CB-CD1 3.65Å; R135-L138 HydrophobicContact CB-CG 3.97Å; R135-L138 HydrophobicContact CG-CD1 4.24Å; R135-L138 PolarHBondContact O-N 2.97Å; P136-L138 PolarHBondContact O-N 2.69Å; L138-N143 PolarHBondContact O-ND2 3.2Å; L138-G274 VanDerWaalsContact CD1-N 3.33Å; L138-V275 HydrophobicContact CB-CB 4.48Å; L138-V275 HydrophobicContact CB-CG2 3.88Å; L138-V275 HydrophobicContact CD1-CG2 4.47Å
139L82.1Confident82.7Confident30 Ų3045.3 Ų45.316%0.15725%0.252CS..G310 helixtrans-89.9-0-179.8-57.3-175.3000113.5V129 K130 P131 P136 D137 V275V129-L139 HydrophobicContact CG1-CD2 3.67Å; K130-L139 VanDerWaalsContact O-CD1 3.3Å; K130-L139 WeakPolarHBondContact O-CD1 3.46Å; P131-L139 WeakPolarHBondContact O-CD1 3.38Å; P136-L139 WeakPolarHBondContact O-CB 3.39Å; P136-L139 PolarHBondContact O-N 3.25Å; D137-L139 VanDerWaalsContact C-N 3.25Å; D137-L139 PolarHBondContact O-N 2.93Å; L139-V275 HydrophobicContact CD2-CB 4.23Å; L139-V275 HydrophobicContact CD2-CG1 4.02Å; L139-V275 HydrophobicContact CD2-CG2 3.83Å
140H89.6Confident83.2Confident61 Ų6144.8 Ų44.828%0.28225%0.248SC..  trans-53.8128.9178.4-169.4-85.7000110.6L142 N143H140-L142 PolarHBondContact ND1-N 2.84Å; H140-L142 PolarHBondContact O-N 3.16Å; H140-N143 VanDerWaalsContact O-CB 3.3Å; H140-N143 WeakPolarHBondContact O-CB 3.47Å; H140-N143 PolarHBondContact O-N 3.5Å
141P93.1Very high83.9Confident31 Ų3147.5 Ų47.520%0.20127%0.266CS..G310 helixtrans-55.5-34-171.5-29.635.2000114.5L94 F120 P122 L125 N143 F144L94-P141 HydrophobicContact CD2-CB 4.37Å; F120-P141 HydrophobicContact CD1-CB 4.27Å; F120-P141 HydrophobicContact CE1-CB 4.17Å; F120-P141 WeakPolarHBondContact CE1-O 3.39Å; P122-P141 HydrophobicContact CB-CB 3.9Å; P122-P141 HydrophobicContact CB-CG 3.94Å; L125-P141 HydrophobicContact CD1-CB 3.89Å; P141-N143 PolarHBondContact O-N 2.92Å; P141-F144 PolarHBondContact O-N 3.3Å
142L94.8Very high85.2Confident2 Ų243.8 Ų43.81%0.0124%0.24CC..G310 helixtrans-64.5-20.2179.2-62-179000113.7C63 V92 L94 F120 H140 F144 V145C63-L142 HydrophobicContact CB-CB 4.09Å; C63-L142 HydrophobicContact CB-CD1 4.27Å; V92-L142 HydrophobicContact CG1-CD2 4.37Å; L94-L142 HydrophobicContact CD2-CD2 4.31Å; L94-L142 HydrophobicContact CG-CD2 4.38Å; L94-L142 HydrophobicContact CG-CG 4.43Å; F120-L142 HydrophobicContact CB-CD2 4.05Å; F120-L142 HydrophobicContact CD1-CD2 4.37Å; H140-L142 PolarHBondContact ND1-N 2.84Å; H140-L142 PolarHBondContact O-N 3.16Å; L142-F144 PolarHBondContact O-N 2.76Å; L142-V145 HydrophobicContact CB-CG2 4.44Å; L142-V145 HydrophobicContact CD2-CG2 3.87Å; L142-V145 WeakPolarHBondContact O-CB 3.37Å; L142-V145 PolarHBondContact O-N 3.39Å
143N93Very high86.4Confident28 Ų2839.1 Ų39.115%0.1523%0.227CC..G310 helixtrans-63.7-25.4173.8-66.7-19.9000112D137 L138 H140 P141 R146D137-N143 PolarHBondContact O-ND2 3.28Å; L138-N143 PolarHBondContact O-ND2 3.2Å; H140-N143 VanDerWaalsContact O-CB 3.3Å; H140-N143 WeakPolarHBondContact O-CB 3.47Å; H140-N143 PolarHBondContact O-N 3.5Å; P141-N143 PolarHBondContact O-N 2.92Å; N143-R146 PolarHBondContact O-NE 3.19Å
144F95.6Very high87.6Confident2 Ų238.2 Ų38.21%0.00922%0.22CC..G310 helixtrans-91.9-8.1-178.3-61.4-83.2000113.4L125 V129 P141 L142 R146 F147 Y148 M258 V275 A276L125-F144 HydrophobicContact CD1-CB 4.2Å; L125-F144 HydrophobicContact CD1-CD2 3.68Å; L125-F144 HydrophobicContact CD1-CE2 4.41Å; L125-F144 HydrophobicContact CD1-CG 4.13Å; L125-F144 HydrophobicContact CD2-CB 3.63Å; L125-F144 HydrophobicContact CD2-CD1 4.41Å; L125-F144 HydrophobicContact CD2-CD2 4.22Å; L125-F144 HydrophobicContact CD2-CG 3.83Å; V129-F144 HydrophobicContact CB-CZ 4.47Å; V129-F144 HydrophobicContact CG1-CE2 4.24Å; V129-F144 HydrophobicContact CG1-CZ 3.98Å; V129-F144 HydrophobicContact CG2-CD1 4.42Å; V129-F144 HydrophobicContact CG2-CD2 4.46Å; V129-F144 HydrophobicContact CG2-CE1 3.87Å; V129-F144 HydrophobicContact CG2-CE2 3.91Å; V129-F144 HydrophobicContact CG2-CZ 3.58Å; P141-F144 PolarHBondContact O-N 3.3Å; L142-F144 PolarHBondContact O-N 2.76Å; F144-R146 PolarHBondContact O-N 2.89Å; F144-R146 VanDerWaalsContact O-N 3.1Å; F144-F147 HydrophobicContact CD1-CD2 4.16Å; F144-F147 AromaticContact CD1-CE2 3.66Å; F144-F147 HydrophobicContact CD1-CE2 3.66Å; F144-F147 HydrophobicContact CD1-CZ 4.19Å; F144-F147 HydrophobicContact CE1-CE2 4.3Å; F144-F147 WeakPolarHBondContact O-CB 3.27Å; F144-F147 PolarHBondContact O-N 3.39Å; F144-Y148 HydrophobicContact CB-CE2 4.48Å; F144-Y148 VanDerWaalsContact O-CD2 3.26Å; F144-Y148 WeakPolarHBondContact O-CD2 3.5Å; F144-M258 HydrophobicContact CD1-CE 3.48Å; F144-M258 VanDerWaalsContact CD1-CE 3.48Å; F144-M258 HydrophobicContact CD1-SD 4.39Å; F144-M258 HydrophobicContact CE1-CE 3.71Å; F144-M258 HydrophobicContact CG-CE 4.25Å; F144-V275 HydrophobicContact CE1-CG1 4.31Å; F144-V275 HydrophobicContact CZ-CB 4.4Å; F144-V275 HydrophobicContact CZ-CG1 3.91Å; F144-A276 HydrophobicContact CD1-CB 4.28Å; F144-A276 HydrophobicContact CE1-CB 4.24Å
145V97.1Very high88.9Confident0 Ų038.1 Ų38.10%022%0.22CC..G310 helixtrans-52.5-36.7178.6167.10000111.5V92 F120 L142 F147 Y148 L149 L152V92-V145 HydrophobicContact CB-CG1 4.05Å; V92-V145 HydrophobicContact CG1-CB 4.45Å; V92-V145 HydrophobicContact CG1-CG1 3.8Å; V92-V145 HydrophobicContact CG1-CG2 3.72Å; V92-V145 HydrophobicContact CG2-CG1 4Å; F120-V145 HydrophobicContact CB-CG2 4.15Å; F120-V145 HydrophobicContact CD1-CG2 3.94Å; F120-V145 HydrophobicContact CD2-CG2 3.79Å; F120-V145 HydrophobicContact CE1-CG2 4.26Å; F120-V145 HydrophobicContact CE2-CG2 4.13Å; F120-V145 HydrophobicContact CG-CG2 3.69Å; F120-V145 HydrophobicContact CZ-CG2 4.35Å; L142-V145 HydrophobicContact CB-CG2 4.44Å; L142-V145 HydrophobicContact CD2-CG2 3.87Å; L142-V145 WeakPolarHBondContact O-CB 3.37Å; L142-V145 PolarHBondContact O-N 3.39Å; V145-F147 PolarHBondContact O-N 2.82Å; V145-Y148 PolarHBondContact O-N 2.9Å; V145-L149 HydrophobicContact CG1-CD2 4.47Å; V145-L149 PolarHBondContact O-N 3.49Å; V145-L152 HydrophobicContact CG1-CD1 3.76Å
146R96.8Very high90.3Very high13 Ų1335.1 Ų35.15%0.04921%0.209CC..G310 helixtrans-56.3-17.6177.674-167.978.2-153.5-2.2114.6N143 F144 Y161 D163 P235 F238N143-R146 PolarHBondContact O-NE 3.19Å; F144-R146 PolarHBondContact O-N 2.89Å; F144-R146 VanDerWaalsContact O-N 3.1Å; R146-Y161 HydrophobicContact CB-CD2 4.25Å; R146-Y161 HydrophobicContact CB-CE1 4.25Å; R146-Y161 HydrophobicContact CB-CE2 3.83Å; R146-Y161 PolarHBondContact NH2-OH 3.15Å; R146-D163 IonicContact CZ-OD1 3.1Å; R146-D163 IonicContact CZ-OD2 3.1Å; R146-D163 IonicContact NH1-OD1 2.69Å; R146-D163 PolarHBondContact NH1-OD1 3.21Å; R146-D163 IonicContact NH1-OD2 2.72Å; R146-D163 PolarHBondContact NH1-OD2 3.31Å; R146-D163 IonicContact NH2-OD1 3.21Å; R146-D163 PolarHBondContact NH2-OD1 3.34Å; R146-D163 IonicContact NH2-OD2 3.06Å; R146-D163 PolarHBondContact NH2-OD2 3.25Å; R146-P235 VanDerWaalsContact NH1-C 3.3Å; R146-P235 PolarHBondContact NH1-O 2.89Å; R146-F238 HydrophobicContact CB-CE1 4.12Å; R146-F238 HydrophobicContact CB-CZ 4.1Å
147F97.9Very high91.4Very high0 Ų035.6 Ų35.60%020%0.199CC..G310 helixtrans-87-24.2175.7-57.3-5.3000112.7F144 V145 T251 L254 M258 A276 P279 M280F144-F147 HydrophobicContact CD1-CD2 4.16Å; F144-F147 AromaticContact CD1-CE2 3.66Å; F144-F147 HydrophobicContact CD1-CE2 3.66Å; F144-F147 HydrophobicContact CD1-CZ 4.19Å; F144-F147 HydrophobicContact CE1-CE2 4.3Å; F144-F147 WeakPolarHBondContact O-CB 3.27Å; F144-F147 PolarHBondContact O-N 3.39Å; V145-F147 PolarHBondContact O-N 2.82Å; F147-T251 WeakPolarHBondContact O-CB 3.45Å; F147-T251 VanDerWaalsContact O-CG2 3.25Å; F147-T251 WeakPolarHBondContact O-CG2 3.28Å; F147-T251 PolarHBondContact O-OG1 2.89Å; F147-L254 HydrophobicContact CB-CB 4.29Å; F147-L254 HydrophobicContact CB-CD1 3.75Å; F147-L254 HydrophobicContact CD1-CD1 3.87Å; F147-L254 HydrophobicContact CD2-CB 4.18Å; F147-L254 HydrophobicContact CG-CB 4.16Å; F147-L254 HydrophobicContact CG-CD1 3.86Å; F147-M258 HydrophobicContact CD2-CE 4.41Å; F147-M258 HydrophobicContact CD2-CG 4.3Å; F147-M258 HydrophobicContact CD2-SD 3.43Å; F147-M258 WeakPolarHBondContact CD2-SD 3.26Å; F147-M258 HydrophobicContact CE2-CE 4.25Å; F147-M258 HydrophobicContact CE2-CG 3.85Å; F147-M258 HydrophobicContact CE2-SD 3.49Å; F147-M258 WeakPolarHBondContact CE2-SD 3.48Å; F147-A276 HydrophobicContact CE1-CB 4.19Å; F147-A276 VanDerWaalsContact CE1-O 3.29Å; F147-A276 WeakPolarHBondContact CE1-O 3.23Å; F147-A276 HydrophobicContact CZ-CB 3.86Å; F147-A276 WeakPolarHBondContact CZ-O 3.5Å; F147-P279 HydrophobicContact CE2-CB 4.15Å; F147-P279 HydrophobicContact CE2-CG 3.96Å; F147-P279 HydrophobicContact CZ-CB 3.97Å; F147-P279 HydrophobicContact CZ-CG 3.79Å; F147-M280 HydrophobicContact CD1-CG 4.09Å; F147-M280 HydrophobicContact CD1-SD 3.87Å; F147-M280 HydrophobicContact CE1-CG 3.51Å; F147-M280 HydrophobicContact CE1-SD 3.95Å; F147-M280 HydrophobicContact CZ-CG 4.4Å
148Y97.8Very high92.6Very high7 Ų733 Ų333%0.02718%0.183CC..  trans-103.97.9-168.6-66.6-79000112.9F120 V124 L125 F144 V145 P150 L151 L152 T251 E255F120-Y148 AromaticContact CE2-CD2 3.79Å; F120-Y148 HydrophobicContact CE2-CD2 3.79Å; F120-Y148 HydrophobicContact CE2-CG 4.05Å; F120-Y148 AromaticContact CZ-CD2 3.8Å; F120-Y148 HydrophobicContact CZ-CD2 3.8Å; F120-Y148 HydrophobicContact CZ-CE2 4.17Å; F120-Y148 HydrophobicContact CZ-CG 4.48Å; V124-Y148 HydrophobicContact CB-CE1 4.31Å; V124-Y148 HydrophobicContact CG2-CD2 4.47Å; V124-Y148 HydrophobicContact CG2-CE1 4.14Å; V124-Y148 HydrophobicContact CG2-CE2 3.98Å; L125-Y148 HydrophobicContact CD2-CE2 3.9Å; F144-Y148 HydrophobicContact CB-CE2 4.48Å; F144-Y148 VanDerWaalsContact O-CD2 3.26Å; F144-Y148 WeakPolarHBondContact O-CD2 3.5Å; V145-Y148 PolarHBondContact O-N 2.9Å; Y148-P150 VanDerWaalsContact C-N 3.31Å; Y148-P150 VanDerWaalsContact O-N 3.08Å; Y148-L151 HydrophobicContact CD1-CD1 4.1Å; Y148-L151 WeakPolarHBondContact O-CA 3.37Å; Y148-L151 WeakPolarHBondContact O-CB 3.44Å; Y148-L151 PolarHBondContact O-N 3.06Å; Y148-L152 WeakPolarHBondContact O-CG 3.02Å; Y148-L152 PolarHBondContact O-N 3.45Å; Y148-T251 HydrophobicContact CD1-CG2 3.96Å; Y148-T251 HydrophobicContact CE1-CG2 4.16Å; Y148-E255 HydrophobicContact CE1-CG 4.27Å; Y148-E255 WeakPolarHBondContact CE1-OE1 3.45Å; Y148-E255 WeakPolarHBondContact OH-CG 3.31Å; Y148-E255 PolarHBondContact OH-OE1 3.37Å
149L96.8Very high93.9Very high0 Ų031.6 Ų31.60%018%0.175CC..G310 helixtrans-43.8-48.5-174.6-51.2-174.8000114I61 V145 L151 L152 I154 V159 Y161 F238 A240 I242I61-L149 HydrophobicContact CD1-CB 4.33Å; I61-L149 HydrophobicContact CD1-CD1 4.18Å; I61-L149 HydrophobicContact CD1-CD2 3.73Å; I61-L149 HydrophobicContact CD1-CG 4.3Å; I61-L149 HydrophobicContact CG2-CD2 4.35Å; V145-L149 HydrophobicContact CG1-CD2 4.47Å; V145-L149 PolarHBondContact O-N 3.49Å; L149-L151 PolarHBondContact O-N 3.3Å; L149-L152 HydrophobicContact CD2-CD1 4.09Å; L149-L152 PolarHBondContact O-N 3.27Å; L149-I154 WeakPolarHBondContact O-CD1 3.33Å; L149-V159 HydrophobicContact CD1-CG2 4.39Å; L149-Y161 HydrophobicContact CD2-CD2 3.92Å; L149-Y161 HydrophobicContact CD2-CE2 4.46Å; L149-F238 HydrophobicContact CD1-CE2 3.73Å; L149-F238 HydrophobicContact CD1-CZ 3.78Å; L149-A240 HydrophobicContact CD1-CB 4.22Å; L149-I242 HydrophobicContact CB-CD1 4.03Å
150P94.9Very high94.7Very high14 Ų1430.1 Ų30.19%0.09117%0.168CC..G310 helixtrans-68.3-16.4-179.3-16.830.7000115.4Y148 I242 W245 K246Y148-P150 VanDerWaalsContact C-N 3.31Å; Y148-P150 VanDerWaalsContact O-N 3.08Å; P150-I242 HydrophobicContact CB-CG2 4.23Å; P150-W245 HydrophobicContact CG-CB 4.35Å; P150-W245 HydrophobicContact CG-CG 3.85Å; P150-K246 HydrophobicContact CB-CD 4.17Å; P150-K246 VanDerWaalsContact CB-CE 3.49Å; P150-K246 HydrophobicContact CB-CG 3.58Å; P150-K246 HydrophobicContact CG-CG 4.22Å
151L94.9Very high95.1Very high126 Ų12627.3 Ų27.366%0.6615%0.154SC*.G310 helixtrans-98.4-2.6-177.7-57.6-175.1000112.8Y148 L149 G153 T251Y148-L151 HydrophobicContact CD1-CD1 4.1Å; Y148-L151 WeakPolarHBondContact O-CA 3.37Å; Y148-L151 WeakPolarHBondContact O-CB 3.44Å; Y148-L151 PolarHBondContact O-N 3.06Å; L149-L151 PolarHBondContact O-N 3.3Å; L151-G153 PolarHBondContact O-N 3.01Å; L151-T251 HydrophobicContact CD1-CG2 3.99Å
152L94.1Very high95.4Very high24 Ų2425.8 Ų25.813%0.12615%0.145CC..SBendtrans-80.73.7178.8-60.9171.9000113.5V92 L118 F120 V145 Y148 L149 I154V92-L152 HydrophobicContact CG1-CD2 4.41Å; V92-L152 HydrophobicContact CG2-CD1 4.03Å; L118-L152 HydrophobicContact CD1-CB 4Å; L118-L152 WeakPolarHBondContact CD1-O 3.34Å; F120-L152 HydrophobicContact CD2-CD2 4.08Å; V145-L152 HydrophobicContact CG1-CD1 3.76Å; Y148-L152 WeakPolarHBondContact O-CG 3.02Å; Y148-L152 PolarHBondContact O-N 3.45Å; L149-L152 HydrophobicContact CD2-CD1 4.09Å; L149-L152 PolarHBondContact O-N 3.27Å; L152-I154 HydrophobicContact CB-CD1 4.23Å; L152-I154 HydrophobicContact CB-CG1 4.1Å; L152-I154 HydrophobicContact CD1-CD1 4.34Å
153G89.7Confident95.5Very high53 Ų5326.8 Ų26.855%0.54615%0.15SC..  trans71.336.4-176.600000113.2L151L151-G153 PolarHBondContact O-N 3.01Å
154I90.6Very high95.7Very high13 Ų1325.6 Ų25.67%0.06714%0.144CC..  trans-79.2133.6174.9-63.1177.6000109.4I61 Y90 L149 L152 H156 V159I61-I154 HydrophobicContact CD1-CD1 3.25Å; I61-I154 HydrophobicContact CG1-CD1 4Å; Y90-I154 HydrophobicContact CD1-CG1 4.36Å; Y90-I154 HydrophobicContact CD2-CG1 4.39Å; Y90-I154 HydrophobicContact CD2-CG2 4.49Å; Y90-I154 HydrophobicContact CE1-CG1 4.3Å; Y90-I154 HydrophobicContact CE2-CB 4.5Å; Y90-I154 HydrophobicContact CE2-CG1 4.33Å; Y90-I154 HydrophobicContact CE2-CG2 3.78Å; Y90-I154 HydrophobicContact CG-CG1 4.38Å; L149-I154 WeakPolarHBondContact O-CD1 3.33Å; L152-I154 HydrophobicContact CB-CD1 4.23Å; L152-I154 HydrophobicContact CB-CG1 4.1Å; L152-I154 HydrophobicContact CD1-CD1 4.34Å; I154-H156 HydrophobicContact CG2-CB 4.39Å; I154-V159 HydrophobicContact CG2-CG1 3.9Å
155S90.4Very high95.8Very high93 Ų9325.9 Ų25.965%0.6515%0.145SC*.  trans-90.4-31.9179.448.30000113.1Y90Y90-S155 PolarHBondContact OH-N 3.42Å; Y90-S155 PolarHBondContact OH-OG 3.48Å
156H94.3Very high95.8Very high30 Ų3025.9 Ų25.914%0.13915%0.145CC..  trans-71.5140.5-176.5-57.388000112.8P59 Y90 I154 R158 V159P59-H156 HydrophobicContact CB-CB 4.02Å; P59-H156 HydrophobicContact CG-CB 3.71Å; Y90-H156 AromaticContact CE2-ND1 3.42Å; Y90-H156 WeakPolarHBondContact CE2-ND1 3.43Å; Y90-H156 AromaticContact CZ-CE1 3.99Å; Y90-H156 AromaticContact CZ-ND1 3.49Å; Y90-H156 PolarHBondContact OH-CE1 3.3Å; Y90-H156 VanDerWaalsContact OH-CE1 3.32Å; Y90-H156 PolarHBondContact OH-ND1 3.16Å; I154-H156 HydrophobicContact CG2-CB 4.39Å; H156-R158 VanDerWaalsContact C-N 3.33Å; H156-R158 PolarHBondContact O-N 3.25Å; H156-V159 HydrophobicContact CB-CG1 4.41Å
157R93.9Very high95.9Very high104 Ų10425.2 Ų25.239%0.39214%0.143SC..SBendtrans-69.5-29.417877.4-177.3145106.80.1113.6E53 D55 E241 I242E53-R157 WeakPolarHBondContact OE1-CB 3.26Å; E53-R157 WeakPolarHBondContact OE1-CG 3.46Å; E53-R157 PolarHBondContact OE1-N 2.97Å; E53-R157 IonicContact OE1-NE 2.63Å; E53-R157 WeakPolarHBondContact OE2-CD 3.32Å; E53-R157 IonicContact OE2-CZ 3.28Å; E53-R157 IonicContact OE2-NE 3.38Å; E53-R157 PolarHBondContact OE2-NE 2.81Å; E53-R157 IonicContact OE2-NH2 3.75Å; E53-R157 PolarHBondContact OE2-NH2 3.03Å; D55-R157 IonicContact OD1-NH2 3.7Å; R157-E241 CarbonylContact O-C 3.58Å; R157-I242 WeakPolarHBondContact O-CA 3.36Å; R157-I242 VanDerWaalsContact O-CB 3.26Å; R157-I242 WeakPolarHBondContact O-CB 3.37Å; R157-I242 PolarHBondContact O-N 3.25Å
158R95.8Very high96Very high32 Ų3225.2 Ų25.212%0.12114%0.143CC..EExtended strand (participates in β ladder)trans-128.1145.6-177.9178.6-176.9-70.4-161.3-4.3108.3P59 H156 Y176 I178 V239 A240 E241P59-R158 WeakPolarHBondContact CG-O 3.36Å; H156-R158 VanDerWaalsContact C-N 3.33Å; H156-R158 PolarHBondContact O-N 3.25Å; R158-Y176 HydrophobicContact CB-CE2 3.83Å; R158-Y176 VanDerWaalsContact CD-CE2 3.44Å; R158-Y176 WeakPolarHBondContact CD-O 3.28Å; R158-Y176 HydrophobicContact CG-CD2 4.04Å; R158-Y176 HydrophobicContact CG-CE2 3.49Å; R158-Y176 VanDerWaalsContact CG-CE2 3.49Å; R158-Y176 PolarHBondContact NH1-O 2.72Å; R158-I178 PolarHBondContact NH1-O 2.91Å; R158-I178 VanDerWaalsContact NH1-O 3.09Å; R158-V239 HydrophobicContact CG-CG1 3.99Å; R158-A240 CarbonylContact C-O 3.56Å; R158-A240 VanDerWaalsContact CA-O 3.28Å; R158-A240 WeakPolarHBondContact CA-O 3.44Å; R158-E241 IonicContact CZ-OE1 3.36Å; R158-E241 IonicContact NE-OE1 3.35Å; R158-E241 PolarHBondContact NE-OE1 3.19Å; R158-E241 IonicContact NH2-OE1 3.01Å; R158-E241 PolarHBondContact NH2-OE1 3.09Å
159V98.1Very high96Very high0 Ų027.4 Ų27.40%015%0.153CC..EExtended strand (participates in β ladder)trans-144.5156.7176.6-61.90000110.7P59 I61 L149 I154 H156 A240 I242P59-V159 HydrophobicContact CB-CG1 4.13Å; P59-V159 HydrophobicContact CG-CG1 4.14Å; P59-V159 WeakPolarHBondContact O-CA 3.4Å; I61-V159 HydrophobicContact CD1-CB 3.94Å; I61-V159 HydrophobicContact CD1-CG1 4.14Å; I61-V159 HydrophobicContact CD1-CG2 3.64Å; I61-V159 HydrophobicContact CG1-CB 4.18Å; I61-V159 HydrophobicContact CG1-CG1 4.39Å; I61-V159 HydrophobicContact CG1-CG2 4.38Å; L149-V159 HydrophobicContact CD1-CG2 4.39Å; I154-V159 HydrophobicContact CG2-CG1 3.9Å; H156-V159 HydrophobicContact CB-CG1 4.41Å; V159-A240 HydrophobicContact CG2-CB 3.95Å; V159-A240 PolarHBondContact N-O 3.35Å; V159-A240 PolarHBondContact O-N 3.5Å; V159-I242 HydrophobicContact CG1-CG1 4.21Å; V159-I242 HydrophobicContact CG2-CD1 3.69Å; V159-I242 HydrophobicContact CG2-CG1 4.08Å
160I98.8Very high96Very high0 Ų028 Ų280%016%0.159CC..EExtended strand (participates in β ladder)trans-99.5133160.8-61.8166.8000107.7V58 P59 V60 I61 V162 I172 L175 Y176 F238 V239V58-I160 HydrophobicContact CG1-CD1 3.93Å; P59-I160 PolarHBondContact O-N 2.02Å; V60-I160 CarbonylContact C-O 3.6Å; V60-I160 WeakPolarHBondContact CA-O 2.92Å; V60-I160 HydrophobicContact CG2-CB 4.43Å; I61-I160 PolarHBondContact N-O 2.83Å; I160-V162 HydrophobicContact CG2-CG1 3.86Å; I160-I172 HydrophobicContact CD1-CD1 3.74Å; I160-I172 HydrophobicContact CD1-CG1 3.63Å; I160-I172 WeakPolarHBondContact CD1-O 3.31Å; I160-I172 HydrophobicContact CG2-CD1 4.45Å; I160-L175 HydrophobicContact CD1-CB 4.2Å; I160-L175 HydrophobicContact CD1-CD2 4.19Å; I160-L175 HydrophobicContact CD1-CG 4.06Å; I160-L175 HydrophobicContact CG1-CG 4.41Å; I160-L175 HydrophobicContact CG2-CD2 3.92Å; I160-Y176 HydrophobicContact CD1-CD2 4.46Å; I160-Y176 HydrophobicContact CG1-CD2 4.34Å; I160-F238 WeakPolarHBondContact CA-O 2.83Å; I160-V239 HydrophobicContact CG1-CG2 4.35Å
161Y98.8Very high96.2Very high1 Ų129.7 Ų29.70%0.00417%0.168CC..EExtended strand (participates in β ladder)trans-102135.6165.9177.2-81.1000109.2I61 R146 L149 D163 V237 F238I61-Y161 HydrophobicContact CB-CD2 4.21Å; I61-Y161 HydrophobicContact CG2-CD2 4.05Å; I61-Y161 HydrophobicContact CG2-CE2 4.48Å; R146-Y161 HydrophobicContact CB-CD2 4.25Å; R146-Y161 HydrophobicContact CB-CE1 4.25Å; R146-Y161 HydrophobicContact CB-CE2 3.83Å; R146-Y161 PolarHBondContact NH2-OH 3.15Å; L149-Y161 HydrophobicContact CD2-CD2 3.92Å; L149-Y161 HydrophobicContact CD2-CE2 4.46Å; Y161-D163 VanDerWaalsContact CE1-OD1 3.27Å; Y161-D163 WeakPolarHBondContact CE1-OD1 3.4Å; Y161-D163 PolarHBondContact OH-OD1 3.15Å; Y161-V237 VanDerWaalsContact O-CA 3.31Å; Y161-V237 WeakPolarHBondContact O-CA 3.24Å; Y161-F238 AromaticContact CD1-CD1 3.78Å; Y161-F238 HydrophobicContact CD1-CD1 3.78Å; Y161-F238 AromaticContact CD1-CE1 3.3Å; Y161-F238 HydrophobicContact CD1-CE1 3.3Å; Y161-F238 HydrophobicContact CD1-CZ 4.12Å; Y161-F238 HydrophobicContact CD2-CE1 4.35Å; Y161-F238 HydrophobicContact CD2-CZ 4.42Å; Y161-F238 HydrophobicContact CE1-CE1 4.13Å; Y161-F238 HydrophobicContact CG-CD1 4.11Å; Y161-F238 AromaticContact CG-CE1 3.45Å; Y161-F238 HydrophobicContact CG-CE1 3.45Å; Y161-F238 VanDerWaalsContact CG-CE1 3.45Å; Y161-F238 AromaticContact CG-CZ 3.8Å; Y161-F238 HydrophobicContact CG-CZ 3.8Å; Y161-F238 PolarHBondContact N-O 3.43Å; Y161-F238 PolarHBondContact O-N 2.92Å; Y161-F238 VanDerWaalsContact O-N 3.07Å
162V98.6Very high96.4Very high0 Ų023.7 Ų23.70%014%0.136CC..EExtended strand (participates in β ladder)trans-134.4140.5173.3-62.80000111.1V60 I61 I62 T75 I79 I160 V166 G236 V237V60-V162 HydrophobicContact CG1-CG2 3.79Å; I61-V162 PolarHBondContact O-N 3.19Å; I62-V162 HydrophobicContact CB-CG2 3.97Å; I62-V162 HydrophobicContact CD1-CG2 3.97Å; I62-V162 HydrophobicContact CG1-CG2 4.13Å; T75-V162 HydrophobicContact CG2-CG2 4.26Å; I79-V162 HydrophobicContact CD1-CG2 4.42Å; I160-V162 HydrophobicContact CG2-CG1 3.86Å; V162-V166 HydrophobicContact CB-CG2 4.1Å; V162-G236 CarbonylContact C-O 3.57Å; V162-G236 WeakPolarHBondContact CA-O 3.35Å; V162-V237 HydrophobicContact CG1-CG1 4.35Å; V162-V237 HydrophobicContact CG1-CG2 4.33Å
163D97.7Very high96.5Very high22 Ų2225.5 Ų25.512%0.11814%0.143CC..  trans-72.9165.6168.1-79.5-22.4000111R146 Y161 D165 V166 G236R146-D163 IonicContact CZ-OD1 3.1Å; R146-D163 IonicContact CZ-OD2 3.1Å; R146-D163 IonicContact NH1-OD1 2.69Å; R146-D163 PolarHBondContact NH1-OD1 3.21Å; R146-D163 IonicContact NH1-OD2 2.72Å; R146-D163 PolarHBondContact NH1-OD2 3.31Å; R146-D163 IonicContact NH2-OD1 3.21Å; R146-D163 PolarHBondContact NH2-OD1 3.34Å; R146-D163 IonicContact NH2-OD2 3.06Å; R146-D163 PolarHBondContact NH2-OD2 3.25Å; Y161-D163 VanDerWaalsContact CE1-OD1 3.27Å; Y161-D163 WeakPolarHBondContact CE1-OD1 3.4Å; Y161-D163 PolarHBondContact OH-OD1 3.15Å; D163-D165 VanDerWaalsContact C-N 3.3Å; D163-D165 WeakPolarHBondContact CB-OD1 3.48Å; D163-D165 PolarHBondContact O-N 2.77Å; D163-V166 WeakPolarHBondContact O-CG2 3.34Å; D163-G236 PolarHBondContact N-O 2.87Å; D163-G236 WeakPolarHBondContact OD2-CA 3.32Å
164D96.9Very high96.9Very high3 Ų327.3 Ų27.32%0.01614%0.14CC..THydrogen-bonded Turntrans-86.54.2-172.1597.3000114.5R68 A71 W338R68-D164 VanDerWaalsContact CZ-CG 3.45Å; R68-D164 IonicContact CZ-OD1 2.61Å; R68-D164 IonicContact CZ-OD2 3.09Å; R68-D164 IonicContact NE-OD1 3.6Å; R68-D164 IonicContact NE-OD2 3.84Å; R68-D164 PolarHBondContact NE-OD2 3.19Å; R68-D164 IonicContact NH1-OD1 3.38Å; R68-D164 PolarHBondContact NH1-OD1 3.38Å; R68-D164 IonicContact NH1-OD2 2.91Å; R68-D164 VanDerWaalsContact NH2-CG 3.3Å; R68-D164 IonicContact NH2-OD1 3.98Å; R68-D164 PolarHBondContact NH2-OD1 2.96Å; R68-D164 VanDerWaalsContact NH2-OD1 3.11Å; R68-D164 IonicContact NH2-OD2 3.11Å; R68-D164 PolarHBondContact NH2-OD2 2.94Å; A71-D164 CarbonylContact C-O 3.51Å; A71-D164 VanDerWaalsContact CB-O 3.26Å; A71-D164 WeakPolarHBondContact CB-O 3.26Å; D164-W338 WeakPolarHBondContact O-CH2 2.91Å
165D97.3Very high97.3Very high8 Ų826.7 Ų26.74%0.04314%0.137CC..THydrogen-bonded Turntrans-117.934.7-179.253.3-5.5000111.8D163 H320 W321 K326 W328D163-D165 VanDerWaalsContact C-N 3.3Å; D163-D165 WeakPolarHBondContact CB-OD1 3.48Å; D163-D165 PolarHBondContact O-N 2.77Å; D165-H320 IonicContact OD1-CD2 3.67Å; D165-H320 PolarHBondContact OD1-CD2 2.67Å; D165-H320 VanDerWaalsContact OD1-CD2 3.3Å; D165-H320 IonicContact OD1-NE2 2.69Å; D165-H320 PolarHBondContact OD1-NE2 3.4Å; D165-H320 IonicContact OD2-NE2 3.04Å; D165-W321 PolarHBondContact O-N 3.45Å; D165-K326 IonicContact OD2-NZ 3.3Å; D165-K326 PolarHBondContact OD2-NZ 2.91Å; D165-W328 HydrophobicContact CB-CH2 3.82Å; D165-W328 HydrophobicContact CB-CZ3 4.03Å
166V98.5Very high97.7Very high0 Ų023.5 Ų23.50%011%0.111CC..EExtended strand (participates in β ladder)trans-118.3150.7176.3-49.70000112.9T75 V162 D163 V168 V237 L318 L319 H320T75-V166 WeakPolarHBondContact CB-O 3.33Å; T75-V166 HydrophobicContact CG2-CG2 3.44Å; T75-V166 VanDerWaalsContact CG2-CG2 3.44Å; T75-V166 PolarHBondContact OG1-O 3.04Å; V162-V166 HydrophobicContact CB-CG2 4.1Å; D163-V166 WeakPolarHBondContact O-CG2 3.34Å; V166-V168 HydrophobicContact CG2-CG2 4.5Å; V166-V237 HydrophobicContact CG1-CG2 4.06Å; V166-L318 HydrophobicContact CB-CD2 4.06Å; V166-L318 HydrophobicContact CB-CG 4.4Å; V166-L318 HydrophobicContact CG1-CD2 4.14Å; V166-L319 CarbonylContact C-O 3.5Å; V166-L319 WeakPolarHBondContact CA-O 3.49Å; V166-L319 WeakPolarHBondContact CB-O 3.06Å; V166-H320 HydrophobicContact CG1-CB 4.01Å
167I98.7Very high97.8Very high0 Ų026 Ų260%013%0.125CC..EExtended strand (participates in β ladder)trans-118.9126.3166.6-66.7-57.2000108.3Q169 L318 L319 W321 W338 W341I167-Q169 HydrophobicContact CG2-CG 4.17Å; I167-L318 WeakPolarHBondContact O-CA 3.38Å; I167-L319 HydrophobicContact CB-CB 4.49Å; I167-L319 PolarHBondContact N-O 3.04Å; I167-L319 PolarHBondContact O-N 2.76Å; I167-W321 HydrophobicContact CB-CZ3 4.09Å; I167-W321 HydrophobicContact CG1-CH2 4.27Å; I167-W321 HydrophobicContact CG1-CZ3 3.77Å; I167-W338 HydrophobicContact CD1-CD2 4.16Å; I167-W338 HydrophobicContact CD1-CE3 3.65Å; I167-W338 HydrophobicContact CD1-CZ3 3.88Å; I167-W338 HydrophobicContact CG1-CD2 4.37Å; I167-W338 HydrophobicContact CG1-CE3 3.57Å; I167-W338 HydrophobicContact CG1-CZ3 3.98Å; I167-W341 HydrophobicContact CD1-CB 3.83Å; I167-W341 HydrophobicContact CD1-CG 3.95Å; I167-W341 HydrophobicContact CG2-CG 4.32Å; I167-W341 VanDerWaalsContact CG2-NE1 3.33Å
168V98.7Very high97.9Very high0 Ų022.8 Ų22.80%012%0.116CC..EExtended strand (participates in β ladder)trans-97.4118.6176.2-172.90000108.5S78 I79 N82 V166 G170 I172 W295 L318S78-V168 PolarHBondContact OG-N 3.36Å; I79-V168 HydrophobicContact CD1-CG2 4.08Å; I79-V168 HydrophobicContact CG1-CB 3.79Å; I79-V168 HydrophobicContact CG1-CG1 4.41Å; I79-V168 HydrophobicContact CG1-CG2 3.46Å; I79-V168 VanDerWaalsContact CG1-CG2 3.46Å; N82-V168 PolarHBondContact ND2-O 3.15Å; V166-V168 HydrophobicContact CG2-CG2 4.5Å; V168-G170 WeakPolarHBondContact CG1-O 3.19Å; V168-I172 HydrophobicContact CG1-CD1 4.21Å; V168-W295 HydrophobicContact CG1-CZ3 4.4Å; V168-L318 HydrophobicContact CG2-CD1 3.88Å; V168-L318 HydrophobicContact CG2-CG 4.29Å
169Q98.4Very high97.9Very high52 Ų5230.3 Ų30.324%0.24315%0.149CC..  trans-102.7-27.9179.7-56.6-173119.400112.3I167 L313 A316 H317I167-Q169 HydrophobicContact CG2-CG 4.17Å; Q169-L313 PolarHBondContact NE2-O 2.89Å; Q169-A316 PolarHBondContact NE2-O 3.37Å; Q169-H317 PolarHBondContact N-O 3.23Å
170G97.9Very high97.9Very high13 Ų1331.7 Ų31.713%0.13416%0.157CC..SBendtrans-90.8172.2176.600000113.4V168 I172 H317V168-G170 WeakPolarHBondContact CG1-O 3.19Å; G170-I172 PolarHBondContact O-N 3.42Å; G170-H317 PolarHBondContact N-O 3.14Å
171D98.3Very high97.8Very high49 Ų4938 Ų3826%0.26218%0.184SC..  trans-71.1111.6175.1-173.5-14.7000110.7N82 T83 K173 D174 W295N82-D171 WeakPolarHBondContact O-CA 3.45Å; T83-D171 VanDerWaalsContact CB-OD1 3.29Å; T83-D171 WeakPolarHBondContact CB-OD1 3.42Å; T83-D171 PolarHBondContact OG1-OD1 2.91Å; D171-K173 PolarHBondContact O-N 3.08Å; D171-K173 VanDerWaalsContact OD1-CB 3.3Å; D171-K173 WeakPolarHBondContact OD1-CB 3.33Å; D171-K173 PolarHBondContact OD1-N 3.11Å; D171-D174 WeakPolarHBondContact O-CB 3.42Å; D171-D174 PolarHBondContact O-N 3.05Å; D171-W295 WeakPolarHBondContact O-CH2 3.08Å
172I98.4Very high97.7Very high0 Ų042.9 Ų42.90%023%0.225CC..Hα-helixtrans-55.9-22.7-178.4-163.262.2000113.6V58 V60 I79 T83 V87 I160 V168 G170 D174 L175 Y176V58-I172 HydrophobicContact CG1-CG1 4.38Å; V58-I172 HydrophobicContact CG1-CG2 4.16Å; V60-I172 HydrophobicContact CG2-CG1 4.26Å; I79-I172 HydrophobicContact CG2-CB 4.13Å; I79-I172 HydrophobicContact CG2-CG1 4.23Å; I79-I172 HydrophobicContact CG2-CG2 3.91Å; T83-I172 HydrophobicContact CG2-CG2 3.97Å; V87-I172 HydrophobicContact CG2-CG2 4.1Å; I160-I172 HydrophobicContact CD1-CD1 3.74Å; I160-I172 HydrophobicContact CD1-CG1 3.63Å; I160-I172 WeakPolarHBondContact CD1-O 3.31Å; I160-I172 HydrophobicContact CG2-CD1 4.45Å; V168-I172 HydrophobicContact CG1-CD1 4.21Å; G170-I172 PolarHBondContact O-N 3.42Å; I172-D174 VanDerWaalsContact C-N 3.28Å; I172-D174 PolarHBondContact O-N 3.11Å; I172-L175 HydrophobicContact CD1-CB 4.43Å; I172-L175 HydrophobicContact CD1-CD2 3.95Å; I172-L175 PolarHBondContact O-N 3.09Å; I172-Y176 PolarHBondContact O-N 2.78Å
173K97.8Very high97.5Very high62 Ų6244.9 Ų44.927%0.2725%0.245SC..Hα-helixtrans-64.7-32.2174.9-178.1161177.5171.70112.2D56 V58 S85 D171 Y176 N177D56-K173 IonicContact OD1-NZ 3.65Å; V58-K173 HydrophobicContact CG2-CB 4.08Å; V58-K173 HydrophobicContact CG2-CG 4.3Å; S85-K173 WeakPolarHBondContact OG-CD 3.41Å; D171-K173 PolarHBondContact O-N 3.08Å; D171-K173 VanDerWaalsContact OD1-CB 3.3Å; D171-K173 WeakPolarHBondContact OD1-CB 3.33Å; D171-K173 PolarHBondContact OD1-N 3.11Å; K173-Y176 WeakPolarHBondContact O-CB 3.4Å; K173-Y176 PolarHBondContact O-N 2.83Å; K173-N177 WeakPolarHBondContact CG-ND2 3.25Å; K173-N177 WeakPolarHBondContact O-CB 3.44Å; K173-N177 PolarHBondContact O-N 3.3Å; K173-N177 PolarHBondContact O-ND2 2.8Å
174D98Very high97.6Very high91 Ų9145.5 Ų45.549%0.48725%0.247SC..Hα-helixtrans-65.7-43.8176.7-70.8-23.3000111.1D171 I172 Y176 N177 I178 W295D171-D174 WeakPolarHBondContact O-CB 3.42Å; D171-D174 PolarHBondContact O-N 3.05Å; I172-D174 VanDerWaalsContact C-N 3.28Å; I172-D174 PolarHBondContact O-N 3.11Å; D174-Y176 VanDerWaalsContact C-N 3.34Å; D174-Y176 PolarHBondContact O-N 3.26Å; D174-N177 PolarHBondContact O-N 3.05Å; D174-I178 PolarHBondContact O-N 2.84Å; D174-W295 HydrophobicContact CB-CH2 4.29Å; D174-W295 HydrophobicContact CB-CZ2 3.63Å
175L98.1Very high97.6Very high0 Ų045.4 Ų45.40%025%0.247CC..Hα-helixtrans-59.5-45.3172.1-179.756.7000111.1I160 I172 N177 I178 V237 V239 L291 W295I160-L175 HydrophobicContact CD1-CB 4.2Å; I160-L175 HydrophobicContact CD1-CD2 4.19Å; I160-L175 HydrophobicContact CD1-CG 4.06Å; I160-L175 HydrophobicContact CG1-CG 4.41Å; I160-L175 HydrophobicContact CG2-CD2 3.92Å; I172-L175 HydrophobicContact CD1-CB 4.43Å; I172-L175 HydrophobicContact CD1-CD2 3.95Å; I172-L175 PolarHBondContact O-N 3.09Å; L175-N177 VanDerWaalsContact C-N 3.27Å; L175-N177 PolarHBondContact O-N 3.03Å; L175-I178 HydrophobicContact CD1-CD1 3.87Å; L175-I178 PolarHBondContact O-N 3.24Å; L175-V237 HydrophobicContact CD2-CG1 4.03Å; L175-V239 HydrophobicContact CD1-CG2 3.85Å; L175-V239 HydrophobicContact CG-CG2 4Å; L175-V239 VanDerWaalsContact O-CG2 3.3Å; L175-V239 WeakPolarHBondContact O-CG2 3.38Å; L175-L291 HydrophobicContact CD1-CD1 4.25Å; L175-L291 HydrophobicContact CD1-CD2 4.01Å; L175-W295 HydrophobicContact CB-CD2 3.92Å; L175-W295 HydrophobicContact CB-CE3 3.71Å; L175-W295 HydrophobicContact CB-CH2 4.11Å; L175-W295 HydrophobicContact CB-CZ2 4.3Å; L175-W295 HydrophobicContact CB-CZ3 3.8Å; L175-W295 HydrophobicContact CD1-CB 4.21Å; L175-W295 HydrophobicContact CD1-CD2 4.15Å; L175-W295 HydrophobicContact CD1-CE3 4.33Å; L175-W295 HydrophobicContact CD1-CG 4.1Å; L175-W295 HydrophobicContact CD2-CE3 3.93Å; L175-W295 HydrophobicContact CD2-CZ3 4.39Å; L175-W295 HydrophobicContact CG-CD2 4.43Å; L175-W295 HydrophobicContact CG-CE3 4.19Å
176Y97.9Very high97.7Very high26 Ų2645 Ų4510%0.10224%0.244CC..Hα-helixtrans-60.4-37179.1-179.4-105.2000112.6V58 P59 R158 I160 I172 K173 D174 I178V58-Y176 HydrophobicContact CG1-CD2 4.12Å; V58-Y176 HydrophobicContact CG1-CG 4.02Å; V58-Y176 HydrophobicContact CG2-CD1 4.4Å; V58-Y176 HydrophobicContact CG2-CG 4.39Å; P59-Y176 HydrophobicContact CG-CE2 4.03Å; R158-Y176 HydrophobicContact CB-CE2 3.83Å; R158-Y176 VanDerWaalsContact CD-CE2 3.44Å; R158-Y176 WeakPolarHBondContact CD-O 3.28Å; R158-Y176 HydrophobicContact CG-CD2 4.04Å; R158-Y176 HydrophobicContact CG-CE2 3.49Å; R158-Y176 VanDerWaalsContact CG-CE2 3.49Å; R158-Y176 PolarHBondContact NH1-O 2.72Å; I160-Y176 HydrophobicContact CD1-CD2 4.46Å; I160-Y176 HydrophobicContact CG1-CD2 4.34Å; I172-Y176 PolarHBondContact O-N 2.78Å; K173-Y176 WeakPolarHBondContact O-CB 3.4Å; K173-Y176 PolarHBondContact O-N 2.83Å; D174-Y176 VanDerWaalsContact C-N 3.34Å; D174-Y176 PolarHBondContact O-N 3.26Å; Y176-I178 VanDerWaalsContact C-N 3.3Å; Y176-I178 PolarHBondContact O-N 3.48Å
177N96.5Very high97.7Very high83 Ų8345 Ų4544%0.44424%0.244SC..Hα-helixtrans-80.6-5.3-175-75.4-25.4000114.4K173 D174 L175 K179K173-N177 WeakPolarHBondContact CG-ND2 3.25Å; K173-N177 WeakPolarHBondContact O-CB 3.44Å; K173-N177 PolarHBondContact O-N 3.3Å; K173-N177 PolarHBondContact O-ND2 2.8Å; D174-N177 PolarHBondContact O-N 3.05Å; L175-N177 VanDerWaalsContact C-N 3.27Å; L175-N177 PolarHBondContact O-N 3.03Å; N177-K179 PolarHBondContact O-N 3.49Å
178I96.1Very high97.6Very high37 Ų3745 Ų4519%0.1924%0.244CC..  trans-54.3129.5176-68.6177000109.9R158 D174 L175 Y176 L180 L291R158-I178 PolarHBondContact NH1-O 2.91Å; R158-I178 VanDerWaalsContact NH1-O 3.09Å; D174-I178 PolarHBondContact O-N 2.84Å; L175-I178 HydrophobicContact CD1-CD1 3.87Å; L175-I178 PolarHBondContact O-N 3.24Å; Y176-I178 VanDerWaalsContact C-N 3.3Å; Y176-I178 PolarHBondContact O-N 3.48Å; I178-L180 PolarHBondContact O-N 3.27Å; I178-L291 HydrophobicContact CD1-CD2 3.44Å; I178-L291 VanDerWaalsContact CD1-CD2 3.44Å; I178-L291 HydrophobicContact CG2-CD2 4.21Å
179K96.1Very high97.4Very high189 Ų18945 Ų4582%0.82225%0.245SC*.  trans-82.6113.2-179.4-66.4-177.8-178.2176.80109.3N177N177-K179 PolarHBondContact O-N 3.49Å
180L97.5Very high97Very high30 Ų3043.4 Ų43.416%0.15724%0.239CC..PPolyproline II helixtrans-69.3141.6171.6-55.9-162.6000110.4I178 H184 A187 E241 T289I178-L180 PolarHBondContact O-N 3.27Å; L180-H184 WeakPolarHBondContact CD1-O 3.4Å; L180-A187 HydrophobicContact CD2-CB 3.48Å; L180-A187 VanDerWaalsContact CD2-CB 3.48Å; L180-E241 HydrophobicContact CD1-CB 4.08Å; L180-E241 HydrophobicContact CD1-CG 3.48Å; L180-E241 VanDerWaalsContact CD1-CG 3.48Å; L180-E241 HydrophobicContact CG-CG 4.27Å; L180-T289 WeakPolarHBondContact CA-OG1 3.19Å; L180-T289 HydrophobicContact CD2-CG2 4.49Å
181K97.7Very high96.5Very high133 Ų13343.2 Ų43.258%0.57824%0.235SC*.PPolyproline II helixtrans-61.3150169.7-62.7176.7178.7176.70109.7G183 H184 T289K181-G183 PolarHBondContact O-N 3.48Å; K181-H184 WeakPolarHBondContact O-CB 3.44Å; K181-H184 PolarHBondContact O-N 2.84Å; K181-T289 HydrophobicContact CG-CG2 4.33Å; K181-T289 PolarHBondContact N-OG1 3.46Å
182A96Very high95.9Very high103 Ų10342.3 Ų42.385%0.85123%0.232SC*.THydrogen-bonded Turntrans-55.1129.8-17900000111.4H184A182-H184 VanDerWaalsContact C-N 3.27Å; A182-H184 PolarHBondContact O-N 2.95Å
183G95.7Very high95Very high42 Ų4244.6 Ų44.643%0.43325%0.245SC..THydrogen-bonded Turntrans78.30.2-178.500000115.1K181 Q248K181-G183 PolarHBondContact O-N 3.48Å; G183-Q248 PolarHBondContact O-NE2 3.04Å
184H98.3Very high93.9Very high35 Ų3542.1 Ų42.116%0.16223%0.234CC..  trans-87.9129.4172-66.5-170.7000110L180 K181 A182 Y288 T289L180-H184 WeakPolarHBondContact CD1-O 3.4Å; K181-H184 WeakPolarHBondContact O-CB 3.44Å; K181-H184 PolarHBondContact O-N 2.84Å; A182-H184 VanDerWaalsContact C-N 3.27Å; A182-H184 PolarHBondContact O-N 2.95Å; H184-Y288 VanDerWaalsContact CE1-C 3.43Å; H184-Y288 PolarHBondContact CE1-O 2.77Å; H184-Y288 PolarHBondContact ND1-O 3.18Å; H184-T289 PolarHBondContact ND1-N 3.46Å; H184-T289 VanDerWaalsContact ND1-N 3.18Å; H184-T289 PolarHBondContact ND1-OG1 2.84Å
185A98.3Very high92.5Very high0 Ų042.5 Ų42.50%024%0.242CC..  trans-90-9.6178.300000113.4A240 E241 E244 W245 I250 F284A185-A240 CarbonylContact O-C 3.54Å; A185-A240 WeakPolarHBondContact O-CA 3.25Å; A185-E241 PolarHBondContact O-N 3.3Å; A185-E244 HydrophobicContact CB-CB 4.14Å; A185-E244 HydrophobicContact CB-CG 4.08Å; A185-W245 HydrophobicContact CB-CB 4.24Å; A185-I250 HydrophobicContact CB-CD1 3.36Å; A185-F284 HydrophobicContact CB-CE1 4.33Å
186A98.4Very high90.7Very high0 Ų045.1 Ų45.10%026%0.26CS..EExtended strand (participates in β ladder)trans-152.5162.9-179.700000113.3F188 F238 V239 W245 F284 T289A186-F188 HydrophobicContact CB-CD2 4.34Å; A186-F188 HydrophobicContact CB-CE2 3.47Å; A186-F188 VanDerWaalsContact CB-CE2 3.47Å; A186-F188 HydrophobicContact CB-CZ 3.56Å; A186-F238 HydrophobicContact CB-CD2 4.39Å; A186-V239 CarbonylContact C-O 3.55Å; A186-V239 WeakPolarHBondContact CA-O 3.47Å; A186-V239 WeakPolarHBondContact CB-O 3.44Å; A186-W245 HydrophobicContact CB-CZ3 4.42Å; A186-F284 HydrophobicContact CB-CD1 4.37Å; A186-F284 HydrophobicContact CB-CE1 3.76Å; A186-F284 HydrophobicContact CB-CZ 4.13Å; A186-T289 PolarHBondContact O-N 2.7Å
187A98.3Very high89.1Confident0 Ų044 Ų440%026%0.256CS..EExtended strand (participates in β ladder)trans-123.3134.5166.900000111.8L180 F238 V239 T289 L291L180-A187 HydrophobicContact CD2-CB 3.48Å; L180-A187 VanDerWaalsContact CD2-CB 3.48Å; A187-F238 VanDerWaalsContact O-CA 3.31Å; A187-F238 WeakPolarHBondContact O-CA 3.35Å; A187-F238 WeakPolarHBondContact O-CB 3.49Å; A187-V239 HydrophobicContact CB-CB 4.45Å; A187-V239 PolarHBondContact N-O 3.22Å; A187-V239 PolarHBondContact O-N 3.27Å; A187-T289 CarbonylContact C-O 3.6Å; A187-T289 WeakPolarHBondContact CA-O 3.27Å; A187-T289 HydrophobicContact CB-CG2 4.47Å; A187-T289 VanDerWaalsContact CB-O 3.25Å; A187-T289 WeakPolarHBondContact CB-O 3.29Å; A187-L291 HydrophobicContact CB-CD1 4.46Å; A187-L291 HydrophobicContact CB-CD2 3.44Å; A187-L291 VanDerWaalsContact CB-CD2 3.44Å; A187-L291 HydrophobicContact CB-CG 3.73Å; A187-L291 WeakPolarHBondContact O-CD1 3.38Å
188F97.2Very high87.8Confident0 Ų043.2 Ų43.20%025%0.249CC..EExtended strand (participates in β ladder)trans-131.5151.5179.8-54.9-83.2000110.2A186 F233 P235 F238 M280 F284 Y288 T289 A290 L291A186-F188 HydrophobicContact CB-CD2 4.34Å; A186-F188 HydrophobicContact CB-CE2 3.47Å; A186-F188 VanDerWaalsContact CB-CE2 3.47Å; A186-F188 HydrophobicContact CB-CZ 3.56Å; F188-F233 HydrophobicContact CB-CB 3.86Å; F188-F233 HydrophobicContact CB-CD2 3.69Å; F188-F233 HydrophobicContact CB-CE2 4.39Å; F188-F233 HydrophobicContact CB-CG 3.78Å; F188-F233 AromaticContact CD1-CD2 3.66Å; F188-F233 HydrophobicContact CD1-CD2 3.66Å; F188-F233 AromaticContact CD1-CE2 3.75Å; F188-F233 HydrophobicContact CD1-CE2 3.75Å; F188-F233 AromaticContact CD2-CD2 4Å; F188-F233 HydrophobicContact CD2-CD2 4Å; F188-F233 HydrophobicContact CD2-CE1 4.39Å; F188-F233 AromaticContact CD2-CE2 3.84Å; F188-F233 HydrophobicContact CD2-CE2 3.84Å; F188-F233 HydrophobicContact CD2-CG 4.37Å; F188-F233 HydrophobicContact CD2-CZ 4.05Å; F188-F233 HydrophobicContact CE1-CD2 4.31Å; F188-F233 AromaticContact CE1-CE2 3.94Å; F188-F233 HydrophobicContact CE1-CE2 3.94Å; F188-F233 HydrophobicContact CE2-CE2 4.03Å; F188-F233 HydrophobicContact CE2-CZ 4.13Å; F188-F233 AromaticContact CG-CD2 3.51Å; F188-F233 HydrophobicContact CG-CD2 3.51Å; F188-F233 AromaticContact CG-CE2 3.73Å; F188-F233 HydrophobicContact CG-CE2 3.73Å; F188-F233 HydrophobicContact CG-CG 4.02Å; F188-F233 HydrophobicContact CG-CZ 4.38Å; F188-F233 HydrophobicContact CZ-CE2 4.1Å; F188-P235 HydrophobicContact CE1-CB 4.49Å; F188-F238 HydrophobicContact CD1-CB 3.44Å; F188-F238 VanDerWaalsContact CD1-CB 3.44Å; F188-F238 HydrophobicContact CD1-CD1 4.32Å; F188-F238 AromaticContact CD1-CG 3.98Å; F188-F238 HydrophobicContact CD1-CG 3.98Å; F188-F238 HydrophobicContact CE1-CB 3.4Å; F188-F238 VanDerWaalsContact CE1-CB 3.4Å; F188-F238 AromaticContact CE1-CD1 3.74Å; F188-F238 HydrophobicContact CE1-CD1 3.74Å; F188-F238 AromaticContact CE1-CD2 3.85Å; F188-F238 HydrophobicContact CE1-CD2 3.85Å; F188-F238 HydrophobicContact CE1-CE1 4.41Å; F188-F238 AromaticContact CE1-CG 3.42Å; F188-F238 HydrophobicContact CE1-CG 3.42Å; F188-F238 VanDerWaalsContact CE1-CG 3.42Å; F188-F238 HydrophobicContact CG-CB 4.34Å; F188-F238 HydrophobicContact CZ-CB 4.28Å; F188-F238 HydrophobicContact CZ-CD2 4.18Å; F188-F238 HydrophobicContact CZ-CG 4.2Å; F188-M280 HydrophobicContact CE1-CE 3.57Å; F188-M280 HydrophobicContact CZ-CE 3.41Å; F188-M280 VanDerWaalsContact CZ-CE 3.41Å; F188-F284 HydrophobicContact CE2-CB 4.14Å; F188-F284 AromaticContact CE2-CD1 3.86Å; F188-F284 HydrophobicContact CE2-CD1 3.86Å; F188-F284 HydrophobicContact CE2-CD2 4.03Å; F188-F284 HydrophobicContact CE2-CE1 4.23Å; F188-F284 HydrophobicContact CE2-CE2 4.39Å; F188-F284 AromaticContact CE2-CG 3.74Å; F188-F284 HydrophobicContact CE2-CG 3.74Å; F188-F284 HydrophobicContact CE2-CZ 4.48Å; F188-F284 HydrophobicContact CZ-CD2 4.1Å; F188-F284 HydrophobicContact CZ-CE2 4.15Å; F188-F284 HydrophobicContact CZ-CG 4.28Å; F188-F284 HydrophobicContact CZ-CZ 4.37Å; F188-Y288 HydrophobicContact CB-CD2 3.88Å; F188-Y288 HydrophobicContact CB-CE2 4.13Å; F188-Y288 AromaticContact CD2-CD2 3.78Å; F188-Y288 HydrophobicContact CD2-CD2 3.78Å; F188-Y288 AromaticContact CD2-CG 3.8Å; F188-Y288 HydrophobicContact CD2-CG 3.8Å; F188-Y288 HydrophobicContact CG-CD2 4.34Å; F188-T289 PolarHBondContact N-O 2.8Å; F188-A290 WeakPolarHBondContact O-CA 3.39Å; F188-L291 PolarHBondContact O-N 3.18Å
189A94.1Very high86.2Confident1 Ų149.3 Ų49.31%0.00828%0.277CS..  trans-86.8139167.600000109.8F233 L291 H296 R298A189-F233 WeakPolarHBondContact O-CA 3.33Å; A189-F233 VanDerWaalsContact O-CB 3.23Å; A189-F233 WeakPolarHBondContact O-CB 3.24Å; A189-L291 HydrophobicContact CB-CB 4.12Å; A189-H296 HydrophobicContact CB-CB 3.52Å; A189-R298 PolarHBondContact O-NH2 2.86Å
190S91Very high84.9Confident18 Ų1841.2 Ų41.213%0.12624%0.242CC..BIsolated β-bridgetrans-70.7162.3178.3-172.30000110.4C192 D193 C231 S232S190-C192 VanDerWaalsContact C-N 3.34Å; S190-C192 PolarHBondContact OG-N 3.01Å; S190-D193 WeakPolarHBondContact CA-OD2 3.41Å; S190-D193 WeakPolarHBondContact CB-OD2 3.41Å; S190-D193 PolarHBondContact N-OD2 3.15Å; S190-C231 WeakPolarHBondContact OG-CB 3.5Å; S190-S232 WeakPolarHBondContact CA-O 3.4Å; S190-S232 PolarHBondContact OG-O 2.61Å
191D86.8Confident83.7Confident8 Ų840.1 Ų40.14%0.04324%0.237CC..SBendtrans-89-3.6168.9-67.3-50.4000112.4T208 S232 F233 R298D191-T208 HydrophobicContact CB-CG2 3.86Å; D191-S232 PolarHBondContact N-O 2.81Å; D191-S232 WeakPolarHBondContact OD2-CB 3.48Å; D191-S232 PolarHBondContact OD2-OG 2.92Å; D191-F233 VanDerWaalsContact OD2-C 3.29Å; D191-F233 WeakPolarHBondContact OD2-CA 3.5Å; D191-F233 PolarHBondContact OD2-N 3.34Å; D191-R298 VanDerWaalsContact OD1-CD 3.24Å; D191-R298 WeakPolarHBondContact OD1-CD 3.44Å; D191-R298 IonicContact OD1-CZ 3.91Å; D191-R298 IonicContact OD1-NE 2.88Å; D191-R298 PolarHBondContact OD1-NE 3.26Å; D191-R298 VanDerWaalsContact OD1-NE 3.15Å
192C85.9Confident82.4Confident30 Ų3043.3 Ų43.320%0.20325%0.245CC..SBendtrans-108.7-7.1-178.4-68.80000114.6S190 L194 H198 C231S190-C192 VanDerWaalsContact C-N 3.34Å; S190-C192 PolarHBondContact OG-N 3.01Å; C192-L194 VanDerWaalsContact C-N 3.32Å; C192-L194 PolarHBondContact O-N 3.19Å; C192-H198 PolarHBondContact O-NE2 3.38Å; C192-C231 HydrophobicContact CB-CB 3.61Å; C192-C231 WeakPolarHBondContact CB-SG 3.49Å; C192-C231 WeakPolarHBondContact SG-CB 3.08Å; C192-C231 CovalentContact SG-SG 2.02Å; C192-C231 PolarHBondContact SG-SG 3.36Å
193D79.4Confident80.8Confident49 Ų4942.8 Ų42.826%0.26224%0.235SC..SBendtrans-83.3-4.9-167.352.910.5000114.4S190 P195 P293S190-D193 WeakPolarHBondContact CA-OD2 3.41Å; S190-D193 WeakPolarHBondContact CB-OD2 3.41Å; S190-D193 PolarHBondContact N-OD2 3.15Å; D193-P195 WeakPolarHBondContact O-CD 3.34Å; D193-P293 HydrophobicContact CB-CB 4.25Å; D193-P293 HydrophobicContact CB-CG 4.47Å
194L75.1Confident79.5Confident9 Ų943.7 Ų43.75%0.04723%0.23CC..  trans-111.8100.3178.4-74.8171000111.6C192 S196 T197 H198 P293 V297 F312C192-L194 VanDerWaalsContact C-N 3.32Å; C192-L194 PolarHBondContact O-N 3.19Å; L194-S196 PolarHBondContact O-N 3.29Å; L194-T197 HydrophobicContact CB-CG2 3.46Å; L194-T197 VanDerWaalsContact CB-CG2 3.46Å; L194-T197 HydrophobicContact CD1-CG2 3.97Å; L194-T197 HydrophobicContact CG-CG2 4.36Å; L194-T197 PolarHBondContact O-N 2.79Å; L194-T197 PolarHBondContact O-OG1 3.18Å; L194-H198 PolarHBondContact O-CD2 3.05Å; L194-P293 HydrophobicContact CD1-CB 4.31Å; L194-P293 HydrophobicContact CD2-CB 3.56Å; L194-P293 HydrophobicContact CD2-CG 4.21Å; L194-P293 HydrophobicContact CG-CB 3.6Å; L194-V297 HydrophobicContact CD1-CG2 4.43Å; L194-F312 HydrophobicContact CD2-CE2 4.47Å; L194-F312 HydrophobicContact CD2-CZ 3.81Å
195P67.3Low78.1Confident100 Ų10044.7 Ų44.765%0.64925%0.249SC*.Hα-helixtrans-57.8-32.5178.3-26.235000113.7D193 T197 H198D193-P195 WeakPolarHBondContact O-CD 3.34Å; P195-T197 PolarHBondContact O-N 2.86Å; P195-T197 VanDerWaalsContact O-N 3.15Å; P195-H198 WeakPolarHBondContact O-CB 3.39Å; P195-H198 PolarHBondContact O-N 2.7Å
196S61.3Low77Confident55 Ų5545.3 Ų45.339%0.38525%0.252SS..Hα-helixtrans-62.7-17.6177.2540000113.5L194L194-S196 PolarHBondContact O-N 3.29Å
197T64.4Low76.2Confident1 Ų148.7 Ų48.71%0.00627%0.268CS..Hα-helixtrans-93.2-19.8175.578.50000112.2L194 P195 E199 M200 V201 Y308L194-T197 HydrophobicContact CB-CG2 3.46Å; L194-T197 VanDerWaalsContact CB-CG2 3.46Å; L194-T197 HydrophobicContact CD1-CG2 3.97Å; L194-T197 HydrophobicContact CG-CG2 4.36Å; L194-T197 PolarHBondContact O-N 2.79Å; L194-T197 PolarHBondContact O-OG1 3.18Å; P195-T197 PolarHBondContact O-N 2.86Å; P195-T197 VanDerWaalsContact O-N 3.15Å; T197-E199 VanDerWaalsContact C-N 3.32Å; T197-E199 PolarHBondContact O-N 3.11Å; T197-M200 WeakPolarHBondContact O-CB 3.49Å; T197-M200 PolarHBondContact O-N 2.95Å; T197-M200 VanDerWaalsContact O-N 3.11Å; T197-V201 WeakPolarHBondContact O-CB 3.09Å; T197-V201 WeakPolarHBondContact O-CG2 3.43Å; T197-V201 PolarHBondContact O-N 3.45Å; T197-Y308 HydrophobicContact CG2-CE1 3.77Å; T197-Y308 WeakPolarHBondContact CG2-OH 3.35Å
198H68.9Low75.7Confident68 Ų6849.8 Ų49.832%0.31528%0.275SS..Hα-helixtrans-61.1-40.4-167.8-75.2-164.8000112.6C192 L194 P195 R202C192-H198 PolarHBondContact O-NE2 3.38Å; L194-H198 PolarHBondContact O-CD2 3.05Å; P195-H198 WeakPolarHBondContact O-CB 3.39Å; P195-H198 PolarHBondContact O-N 2.7Å; H198-R202 WeakPolarHBondContact O-CB 3.39Å; H198-R202 WeakPolarHBondContact O-CG 3.42Å; H198-R202 PolarHBondContact O-N 2.9Å; H198-R202 VanDerWaalsContact O-N 3.09Å
199E63.6Low75.4Confident164 Ų16451 Ų5177%0.76628%0.282SS*.Hα-helixtrans-68.3-42.9177.6-170.9173.7-175.800111.5T197 R202 S203T197-E199 VanDerWaalsContact C-N 3.32Å; T197-E199 PolarHBondContact O-N 3.11Å; E199-R202 PolarHBondContact O-N 2.94Å; E199-S203 WeakPolarHBondContact O-CB 3.27Å; E199-S203 PolarHBondContact O-N 3.1Å; E199-S203 PolarHBondContact O-OG 2.97Å
200M67.8Low75.4Confident19 Ų1951.1 Ų51.19%0.09428%0.283CS..Hα-helixtrans-62.1-50.9175.2179-169.2-52.100111.7T197 R202 S203 I204 H299 A306 Y308T197-M200 WeakPolarHBondContact O-CB 3.49Å; T197-M200 PolarHBondContact O-N 2.95Å; T197-M200 VanDerWaalsContact O-N 3.11Å; M200-R202 VanDerWaalsContact C-N 3.29Å; M200-R202 PolarHBondContact O-N 2.98Å; M200-S203 PolarHBondContact O-N 2.89Å; M200-S203 PolarHBondContact O-OG 3.34Å; M200-I204 WeakPolarHBondContact O-CG1 3.46Å; M200-I204 PolarHBondContact O-N 2.58Å; M200-I204 VanDerWaalsContact O-N 3.09Å; M200-H299 HydrophobicContact SD-CB 4.35Å; M200-A306 HydrophobicContact CE-CB 3.76Å; M200-A306 HydrophobicContact CG-CB 3.62Å; M200-A306 HydrophobicContact SD-CB 3.74Å; M200-Y308 HydrophobicContact CE-CD2 4.36Å; M200-Y308 HydrophobicContact CE-CE1 4.19Å; M200-Y308 HydrophobicContact CE-CE2 3.96Å
201V71.9Confident75.4Confident7 Ų753.9 Ų53.94%0.04229%0.294CS..Hα-helixtrans-56-45.8179.91700000110.5T197 G205 M206 T208T197-V201 WeakPolarHBondContact O-CB 3.09Å; T197-V201 WeakPolarHBondContact O-CG2 3.43Å; T197-V201 PolarHBondContact O-N 3.45Å; V201-G205 PolarHBondContact O-N 3.37Å; V201-M206 HydrophobicContact CB-CE 3.78Å; V201-M206 HydrophobicContact CG1-CB 4.16Å; V201-M206 HydrophobicContact CG1-CE 3.68Å; V201-M206 VanDerWaalsContact CG1-O 3.26Å; V201-M206 WeakPolarHBondContact CG1-O 3.24Å; V201-M206 HydrophobicContact CG2-CE 3.21Å; V201-M206 PolarHBondContact O-N 3.34Å; V201-T208 HydrophobicContact CG1-CG2 3.55Å; V201-T208 HydrophobicContact CG2-CG2 4.25Å
202R70.1Confident75.5Confident200 Ų20053.5 Ų53.576%0.75529%0.292SS*.Hα-helixtrans-67.5-43.4178.4-74.1174.6-178.2178.13.3112.1H198 E199 M200 I204 G205H198-R202 WeakPolarHBondContact O-CB 3.39Å; H198-R202 WeakPolarHBondContact O-CG 3.42Å; H198-R202 PolarHBondContact O-N 2.9Å; H198-R202 VanDerWaalsContact O-N 3.09Å; E199-R202 PolarHBondContact O-N 2.94Å; M200-R202 VanDerWaalsContact C-N 3.29Å; M200-R202 PolarHBondContact O-N 2.98Å; R202-I204 VanDerWaalsContact C-N 3.28Å; R202-I204 PolarHBondContact O-N 3.33Å; R202-G205 PolarHBondContact O-N 3.34Å
203S62.3Low75.7Confident92 Ų9252.6 Ų52.664%0.64329%0.285SS*.Hα-helixtrans-67.1-29.5-176.567.20000113E199 M200E199-S203 WeakPolarHBondContact O-CB 3.27Å; E199-S203 PolarHBondContact O-N 3.1Å; E199-S203 PolarHBondContact O-OG 2.97Å; M200-S203 PolarHBondContact O-N 2.89Å; M200-S203 PolarHBondContact O-OG 3.34Å
204I69.1Low76.4Confident62 Ų6250.4 Ų50.432%0.31827%0.273SS..THydrogen-bonded Turntrans-92.92.1175.972.9-179.2000113.8M200 R202 M206 W302M200-I204 WeakPolarHBondContact O-CG1 3.46Å; M200-I204 PolarHBondContact O-N 2.58Å; M200-I204 VanDerWaalsContact O-N 3.09Å; R202-I204 VanDerWaalsContact C-N 3.28Å; R202-I204 PolarHBondContact O-N 3.33Å; I204-M206 VanDerWaalsContact C-N 3.31Å; I204-M206 HydrophobicContact CD1-CB 4.04Å; I204-M206 HydrophobicContact CD1-SD 4.49Å; I204-M206 HydrophobicContact CG1-CB 3.82Å; I204-M206 PolarHBondContact O-N 3.43Å; I204-W302 HydrophobicContact CD1-CB 3.75Å; I204-W302 HydrophobicContact CD1-CD2 4.45Å; I204-W302 HydrophobicContact CD1-CE3 4.24Å; I204-W302 HydrophobicContact CD1-CG 4.29Å
205G68.2Low77.2Confident56 Ų5650.7 Ų50.758%0.57728%0.275SS*.THydrogen-bonded Turntrans67.325.9179.100000114.7V201 R202V201-G205 PolarHBondContact O-N 3.37Å; R202-G205 PolarHBondContact O-N 3.34Å
206M76.3Confident78.4Confident12 Ų1247.8 Ų47.86%0.05925%0.251CS..  trans-81136.3179.4179.3177.666.600110.9V201 I204 T208 H299 W302V201-M206 HydrophobicContact CB-CE 3.78Å; V201-M206 HydrophobicContact CG1-CB 4.16Å; V201-M206 HydrophobicContact CG1-CE 3.68Å; V201-M206 VanDerWaalsContact CG1-O 3.26Å; V201-M206 WeakPolarHBondContact CG1-O 3.24Å; V201-M206 HydrophobicContact CG2-CE 3.21Å; V201-M206 PolarHBondContact O-N 3.34Å; I204-M206 VanDerWaalsContact C-N 3.31Å; I204-M206 HydrophobicContact CD1-CB 4.04Å; I204-M206 HydrophobicContact CD1-SD 4.49Å; I204-M206 HydrophobicContact CG1-CB 3.82Å; I204-M206 PolarHBondContact O-N 3.43Å; M206-T208 HydrophobicContact CE-CG2 3.96Å; M206-H299 HydrophobicContact CE-CB 4.48Å; M206-H299 WeakPolarHBondContact CE-CE1 3.37Å; M206-H299 VanDerWaalsContact CE-ND1 3.31Å; M206-H299 WeakPolarHBondContact CE-ND1 3.44Å; M206-H299 WeakPolarHBondContact CE-NE2 3.37Å; M206-W302 HydrophobicContact CG-CH2 4.29Å; M206-W302 HydrophobicContact CG-CZ2 4.32Å; M206-W302 HydrophobicContact CG-CZ3 4.42Å; M206-W302 HydrophobicContact SD-CD2 3.54Å; M206-W302 VanDerWaalsContact SD-CD2 3.54Å; M206-W302 HydrophobicContact SD-CE3 4.06Å; M206-W302 HydrophobicContact SD-CG 3.91Å; M206-W302 HydrophobicContact SD-CH2 4.23Å; M206-W302 HydrophobicContact SD-CZ2 3.75Å; M206-W302 HydrophobicContact SD-CZ3 4.37Å
207Q81.8Confident79.9Confident72 Ų7254.6 Ų54.634%0.33627%0.269SS..  trans-94.7120.6176.9-67.6-67.1111.400111.2G212 M271 A272Q207-G212 VanDerWaalsContact CB-CA 3.47Å; Q207-M271 HydrophobicContact CG-CB 4.46Å; Q207-A272 HydrophobicContact CB-CB 4.19Å; Q207-A272 WeakPolarHBondContact O-CB 3.36Å
208T87.3Confident81.3Confident22 Ų2257.6 Ų57.614%0.13528%0.282CS..  trans-108.517.417854.30000113.1D191 V201 M206 S232D191-T208 HydrophobicContact CB-CG2 3.86Å; V201-T208 HydrophobicContact CG1-CG2 3.55Å; V201-T208 HydrophobicContact CG2-CG2 4.25Å; M206-T208 HydrophobicContact CE-CG2 3.96Å; T208-S232 VanDerWaalsContact C-OG 3.25Å; T208-S232 PolarHBondContact O-N 2.96Å; T208-S232 PolarHBondContact O-OG 3.19Å
209T91.4Very high82.6Confident26 Ų2659.4 Ų59.416%0.1629%0.29CS..BIsolated β-bridgetrans-119.5164.5177.4660000110.3M211 G212 F213 P228 H230T209-M211 PolarHBondContact O-N 3.01Å; T209-G212 PolarHBondContact O-N 3.35Å; T209-F213 WeakPolarHBondContact O-CD2 3.32Å; T209-P228 WeakPolarHBondContact CB-O 3.05Å; T209-P228 PolarHBondContact OG1-O 3.05Å; T209-H230 CarbonylContact C-O 3.49Å; T209-H230 WeakPolarHBondContact CA-O 3.31Å; T209-H230 VanDerWaalsContact CB-O 3.22Å; T209-H230 WeakPolarHBondContact CB-O 3.3Å
210Y93.3Very high84.1Confident3 Ų353.9 Ų53.91%0.01226%0.264CS..G310 helixtrans-56.1-27.4179.5-81-114.2000113G212 F213 L214 Y216 I226 P228 H230 C231 L281 H285Y210-G212 PolarHBondContact O-N 3.15Å; Y210-F213 PolarHBondContact O-N 3.23Å; Y210-L214 HydrophobicContact CD1-CD1 3.89Å; Y210-L214 PolarHBondContact O-N 3.04Å; Y210-Y216 WeakPolarHBondContact CB-OH 3.34Å; Y210-I226 HydrophobicContact CD1-CD1 4.31Å; Y210-I226 HydrophobicContact CD1-CG2 3.49Å; Y210-I226 VanDerWaalsContact CD1-CG2 3.49Å; Y210-I226 HydrophobicContact CD2-CG2 4.47Å; Y210-I226 HydrophobicContact CE1-CD1 4.01Å; Y210-I226 HydrophobicContact CE1-CG2 3.77Å; Y210-I226 HydrophobicContact CG-CG2 3.87Å; Y210-P228 PolarHBondContact N-O 3.45Å; Y210-H230 HydrophobicContact CD2-CB 4.02Å; Y210-H230 WeakPolarHBondContact CD2-O 3.4Å; Y210-H230 HydrophobicContact CE2-CB 4.27Å; Y210-H230 PolarHBondContact N-O 3.37Å; Y210-C231 VanDerWaalsContact CE2-O 3.28Å; Y210-C231 WeakPolarHBondContact CE2-O 3.21Å; Y210-L281 HydrophobicContact CD1-CB 4.36Å; Y210-L281 HydrophobicContact CE1-CB 3.71Å; Y210-L281 PolarHBondContact OH-O 2.8Å; Y210-H285 HydrophobicContact CE1-CB 4.46Å; Y210-H285 AromaticContact CZ-CD2 3.8Å; Y210-H285 PolarHBondContact OH-CD2 3.11Å
211M90.9Very high85.4Confident76 Ų7653 Ų5337%0.37426%0.26SS..G310 helixtrans-53.5-32.9172.2-172.862.991.100113T209 F213 Y216 P228 M271T209-M211 PolarHBondContact O-N 3.01Å; M211-F213 VanDerWaalsContact C-N 3.32Å; M211-F213 PolarHBondContact O-N 2.87Å; M211-Y216 HydrophobicContact SD-CD2 3.91Å; M211-P228 HydrophobicContact CB-CB 4.05Å; M211-P228 WeakPolarHBondContact CB-O 3.26Å; M211-P228 HydrophobicContact CE-CB 3.59Å; M211-P228 HydrophobicContact CE-CG 4.08Å; M211-P228 PolarHBondContact N-O 2.96Å; M211-P228 HydrophobicContact SD-CB 4.12Å; M211-M271 WeakPolarHBondContact O-CE 3.4Å
212G88.8Confident86.5Confident0 Ų057.8 Ų57.80%028%0.28CS..G310 helixtrans-71.8-22.817900000114.7Q207 T209 Y210 A272Q207-G212 VanDerWaalsContact CB-CA 3.47Å; T209-G212 PolarHBondContact O-N 3.35Å; Y210-G212 PolarHBondContact O-N 3.15Å; G212-A272 VanDerWaalsContact O-CB 3.27Å; G212-A272 WeakPolarHBondContact O-CB 3.27Å; G212-A272 PolarHBondContact O-N 2.87Å
213F91.2Very high87.8Confident12 Ų1253.7 Ų53.75%0.05327%0.273CS..THydrogen-bonded Turntrans-113.9-25.7-167.8-65.1-85.1000113.8T209 Y210 M211 S232 Y267 S268 A272 G273 T277 P278 L281T209-F213 WeakPolarHBondContact O-CD2 3.32Å; Y210-F213 PolarHBondContact O-N 3.23Å; M211-F213 VanDerWaalsContact C-N 3.32Å; M211-F213 PolarHBondContact O-N 2.87Å; F213-S232 VanDerWaalsContact CE2-OG 3.29Å; F213-S232 WeakPolarHBondContact CE2-OG 3.32Å; F213-Y267 WeakPolarHBondContact O-CA 3.49Å; F213-S268 PolarHBondContact O-N 2.98Å; F213-A272 HydrophobicContact CD1-CB 3.82Å; F213-A272 HydrophobicContact CD2-CB 3.86Å; F213-A272 HydrophobicContact CE1-CB 3.53Å; F213-A272 HydrophobicContact CE2-CB 3.56Å; F213-A272 HydrophobicContact CG-CB 3.99Å; F213-A272 HydrophobicContact CZ-CB 3.4Å; F213-A272 VanDerWaalsContact CZ-CB 3.4Å; F213-G273 WeakPolarHBondContact CE1-O 3.47Å; F213-T277 HydrophobicContact CD1-CG2 3.9Å; F213-T277 HydrophobicContact CE1-CG2 3.67Å; F213-T277 HydrophobicContact CZ-CG2 4.3Å; F213-P278 HydrophobicContact CB-CG 4.26Å; F213-L281 HydrophobicContact CB-CD1 3.73Å; F213-L281 HydrophobicContact CD1-CD1 4.11Å; F213-L281 HydrophobicContact CD2-CD1 3.69Å; F213-L281 HydrophobicContact CE2-CD1 4.33Å; F213-L281 HydrophobicContact CG-CD1 3.56Å
214L92.7Very high89.4Confident3 Ų351.5 Ų51.52%0.01625%0.254CS..BIsolated β-bridgetrans-116.7142.7-176.3-55.7-178.8000111.6Y210 Y216 V221 L224 Y267 P278 I282Y210-L214 HydrophobicContact CD1-CD1 3.89Å; Y210-L214 PolarHBondContact O-N 3.04Å; L214-Y216 HydrophobicContact CB-CD2 4.28Å; L214-Y216 HydrophobicContact CB-CE2 3.88Å; L214-Y216 WeakPolarHBondContact O-CD2 3.28Å; L214-Y216 PolarHBondContact O-N 2.74Å; L214-V221 HydrophobicContact CB-CG1 3.78Å; L214-V221 HydrophobicContact CB-CG2 4.4Å; L214-V221 HydrophobicContact CD1-CG1 4.22Å; L214-L224 HydrophobicContact CD1-CD1 4.42Å; L214-Y267 HydrophobicContact CD2-CD1 4.04Å; L214-Y267 HydrophobicContact CD2-CE1 4.37Å; L214-P278 HydrophobicContact CD2-CB 3.93Å; L214-I282 HydrophobicContact CD1-CG1 4.17Å; L214-I282 HydrophobicContact CD2-CD1 3.83Å; L214-I282 HydrophobicContact CD2-CG1 4.05Å
215D91.9Very high90.7Very high15 Ų1552.9 Ų52.98%0.0828%0.275CS..  trans-86.389.9174.8-171.6-9.2000110.8R217 K218 V221 I266D215-R217 PolarHBondContact O-N 3.14Å; D215-R217 VanDerWaalsContact OD1-CB 3.22Å; D215-R217 WeakPolarHBondContact OD1-CB 3.42Å; D215-R217 WeakPolarHBondContact OD1-CG 3.22Å; D215-R217 IonicContact OD1-CZ 3.57Å; D215-R217 PolarHBondContact OD1-N 3.02Å; D215-R217 VanDerWaalsContact OD1-N 3.07Å; D215-R217 IonicContact OD1-NE 2.8Å; D215-R217 PolarHBondContact OD1-NE 3.25Å; D215-R217 IonicContact OD1-NH2 3.48Å; D215-R217 PolarHBondContact OD1-NH2 3.31Å; D215-R217 IonicContact OD2-CZ 3.51Å; D215-R217 IonicContact OD2-NE 3.42Å; D215-R217 PolarHBondContact OD2-NE 3.23Å; D215-R217 IonicContact OD2-NH2 2.76Å; D215-R217 PolarHBondContact OD2-NH2 2.94Å; D215-K218 HydrophobicContact CB-CG 3.84Å; D215-K218 VanDerWaalsContact O-CB 3.3Å; D215-K218 WeakPolarHBondContact O-CB 3.17Å; D215-K218 WeakPolarHBondContact O-CG 3.49Å; D215-K218 PolarHBondContact O-N 3.02Å; D215-V221 WeakPolarHBondContact O-CB 3.31Å; D215-V221 WeakPolarHBondContact O-CG2 3.44Å; D215-I266 PolarHBondContact N-O 3.26Å
216Y93.2Very high92.1Very high39 Ų3950.8 Ų50.815%0.15325%0.25CS..THydrogen-bonded Turntrans-63.9-2.9179.3-78.6-89.8000114.9Y210 M211 L214 K218 V221 K222 I226 P228Y210-Y216 WeakPolarHBondContact CB-OH 3.34Å; M211-Y216 HydrophobicContact SD-CD2 3.91Å; L214-Y216 HydrophobicContact CB-CD2 4.28Å; L214-Y216 HydrophobicContact CB-CE2 3.88Å; L214-Y216 WeakPolarHBondContact O-CD2 3.28Å; L214-Y216 PolarHBondContact O-N 2.74Å; Y216-K218 VanDerWaalsContact C-N 3.32Å; Y216-V221 HydrophobicContact CD1-CG1 3.91Å; Y216-V221 HydrophobicContact CD2-CG1 4.29Å; Y216-V221 HydrophobicContact CE1-CG1 4.03Å; Y216-V221 HydrophobicContact CE2-CG1 4.39Å; Y216-V221 HydrophobicContact CG-CG1 4.05Å; Y216-K222 WeakPolarHBondContact O-CE 3.34Å; Y216-I226 VanDerWaalsContact CE1-O 3.31Å; Y216-I226 WeakPolarHBondContact CE1-O 3.22Å; Y216-I226 PolarHBondContact OH-O 3.32Å; Y216-P228 HydrophobicContact CD1-CB 4.28Å; Y216-P228 HydrophobicContact CD2-CB 4.03Å; Y216-P228 HydrophobicContact CE1-CB 3.92Å; Y216-P228 HydrophobicContact CE1-CG 4.25Å; Y216-P228 HydrophobicContact CE2-CB 3.66Å; Y216-P228 HydrophobicContact CG-CB 4.33Å; Y216-P228 WeakPolarHBondContact OH-CA 3.33Å
217R92.8Very high93Very high198 Ų19853.4 Ų53.475%0.74726%0.264SS*.THydrogen-bonded Turntrans-76.8-24.9170.4-56.9170-64.4-175.12.5111.3D215D215-R217 PolarHBondContact O-N 3.14Å; D215-R217 VanDerWaalsContact OD1-CB 3.22Å; D215-R217 WeakPolarHBondContact OD1-CB 3.42Å; D215-R217 WeakPolarHBondContact OD1-CG 3.22Å; D215-R217 IonicContact OD1-CZ 3.57Å; D215-R217 PolarHBondContact OD1-N 3.02Å; D215-R217 VanDerWaalsContact OD1-N 3.07Å; D215-R217 IonicContact OD1-NE 2.8Å; D215-R217 PolarHBondContact OD1-NE 3.25Å; D215-R217 IonicContact OD1-NH2 3.48Å; D215-R217 PolarHBondContact OD1-NH2 3.31Å; D215-R217 IonicContact OD2-CZ 3.51Å; D215-R217 IonicContact OD2-NE 3.42Å; D215-R217 PolarHBondContact OD2-NE 3.23Å; D215-R217 IonicContact OD2-NH2 2.76Å; D215-R217 PolarHBondContact OD2-NH2 2.94Å
218K93.9Very high93.6Very high64 Ų6451.5 Ų51.528%0.27826%0.258SS..SBendtrans-78.9139.9-177.4-58-70.4-175.8157.90111.6D215 Y216 E220 V221 K222 Q264 N265 I266D215-K218 HydrophobicContact CB-CG 3.84Å; D215-K218 VanDerWaalsContact O-CB 3.3Å; D215-K218 WeakPolarHBondContact O-CB 3.17Å; D215-K218 WeakPolarHBondContact O-CG 3.49Å; D215-K218 PolarHBondContact O-N 3.02Å; Y216-K218 VanDerWaalsContact C-N 3.32Å; K218-E220 VanDerWaalsContact C-N 3.32Å; K218-E220 PolarHBondContact O-N 2.69Å; K218-V221 HydrophobicContact CB-CB 4.46Å; K218-V221 HydrophobicContact CB-CG2 4.16Å; K218-V221 PolarHBondContact O-N 3.21Å; K218-K222 WeakPolarHBondContact O-CG 3.31Å; K218-K222 PolarHBondContact O-N 3.11Å; K218-Q264 PolarHBondContact NZ-O 3.35Å; K218-N265 WeakPolarHBondContact CE-O 3.39Å; K218-I266 HydrophobicContact CB-CG2 3.98Å; K218-I266 HydrophobicContact CG-CG2 4.05Å
219Q95.4Very high93.8Very high105 Ų10556 Ų5649%0.49128%0.282SS..Hα-helixtrans-67.5-37.7-177.6-171.259.941.200111.2V221 K222 D223Q219-V221 PolarHBondContact O-N 3.43Å; Q219-K222 PolarHBondContact O-N 2.91Å; Q219-D223 PolarHBondContact NE2-OD1 3.48Å; Q219-D223 PolarHBondContact O-N 2.91Å
220E95.4Very high94Very high49 Ų4958.1 Ų58.123%0.22929%0.29CS..Hα-helixtrans-58.4-33.1178.1-58.279.5-178.100112.2K218 Q264 I266K218-E220 VanDerWaalsContact C-N 3.32Å; K218-E220 PolarHBondContact O-N 2.69Å; E220-Q264 HydrophobicContact CG-CG 4.3Å; E220-Q264 WeakPolarHBondContact OE1-CG 3.48Å; E220-I266 HydrophobicContact CB-CG2 4.03Å; E220-I266 HydrophobicContact CG-CG2 4.43Å
221V95.6Very high93.9Very high1 Ų160.3 Ų60.31%0.00631%0.305CS..Hα-helixtrans-79.1-40.4175.6176.40000111L214 D215 Y216 K218 Q219 D223 L224 I266L214-V221 HydrophobicContact CB-CG1 3.78Å; L214-V221 HydrophobicContact CB-CG2 4.4Å; L214-V221 HydrophobicContact CD1-CG1 4.22Å; D215-V221 WeakPolarHBondContact O-CB 3.31Å; D215-V221 WeakPolarHBondContact O-CG2 3.44Å; Y216-V221 HydrophobicContact CD1-CG1 3.91Å; Y216-V221 HydrophobicContact CD2-CG1 4.29Å; Y216-V221 HydrophobicContact CE1-CG1 4.03Å; Y216-V221 HydrophobicContact CE2-CG1 4.39Å; Y216-V221 HydrophobicContact CG-CG1 4.05Å; K218-V221 HydrophobicContact CB-CB 4.46Å; K218-V221 HydrophobicContact CB-CG2 4.16Å; K218-V221 PolarHBondContact O-N 3.21Å; Q219-V221 PolarHBondContact O-N 3.43Å; V221-D223 VanDerWaalsContact C-N 3.29Å; V221-D223 PolarHBondContact O-N 3.34Å; V221-L224 VanDerWaalsContact O-CB 3.29Å; V221-L224 WeakPolarHBondContact O-CB 3.29Å; V221-L224 PolarHBondContact O-N 2.9Å; V221-I266 HydrophobicContact CG2-CB 3.85Å; V221-I266 HydrophobicContact CG2-CG2 4.29Å
222K95.8Very high94Very high106 Ų10656.7 Ų56.746%0.46129%0.287SS..Hα-helixtrans-62-38.6176.8-67.7173.5-171.2172.20111.9Y216 K218 Q219 L224 A225Y216-K222 WeakPolarHBondContact O-CE 3.34Å; K218-K222 WeakPolarHBondContact O-CG 3.31Å; K218-K222 PolarHBondContact O-N 3.11Å; Q219-K222 PolarHBondContact O-N 2.91Å; K222-L224 PolarHBondContact O-N 3.08Å; K222-A225 PolarHBondContact O-N 3.16Å
223D96.8Very high94.3Very high115 Ų11556.7 Ų56.762%0.61529%0.287SS*.THydrogen-bonded Turntrans-65.3-18.8179.8-67.5-13.4000113Q219 V221 A225Q219-D223 PolarHBondContact NE2-OD1 3.48Å; Q219-D223 PolarHBondContact O-N 2.91Å; V221-D223 VanDerWaalsContact C-N 3.29Å; V221-D223 PolarHBondContact O-N 3.34Å; D223-A225 PolarHBondContact O-N 2.92Å
224L96.4Very high94.3Very high46 Ų4657.1 Ų57.124%0.24129%0.29CS..THydrogen-bonded Turntrans-68.1-21.6172.1-67.4173.8000112.8L214 V221 K222 I226 W257 I282L214-L224 HydrophobicContact CD1-CD1 4.42Å; V221-L224 VanDerWaalsContact O-CB 3.29Å; V221-L224 WeakPolarHBondContact O-CB 3.29Å; V221-L224 PolarHBondContact O-N 2.9Å; K222-L224 PolarHBondContact O-N 3.08Å; L224-I226 HydrophobicContact CB-CD1 3.97Å; L224-I226 HydrophobicContact CB-CG1 3.9Å; L224-I226 HydrophobicContact CD1-CD1 4.08Å; L224-I226 PolarHBondContact O-N 3.49Å; L224-I226 VanDerWaalsContact O-N 3.07Å; L224-W257 HydrophobicContact CD1-CH2 3.99Å; L224-W257 HydrophobicContact CD1-CZ3 4.35Å; L224-W257 HydrophobicContact CD2-CH2 3.35Å; L224-W257 HydrophobicContact CD2-CZ2 3.39Å; L224-W257 HydrophobicContact CD2-CZ3 4.44Å; L224-W257 HydrophobicContact CG-CH2 3.9Å; L224-W257 HydrophobicContact CG-CZ2 4.38Å; L224-I282 HydrophobicContact CD1-CD1 4.09Å; L224-I282 HydrophobicContact CD1-CG1 3.95Å; L224-I282 HydrophobicContact CD1-CG2 3.86Å; L224-I282 HydrophobicContact CD2-CG2 3.77Å; L224-I282 HydrophobicContact CG-CG2 4.48Å
225A96.3Very high94.4Very high91 Ų9157 Ų5775%0.75229%0.289SS*.THydrogen-bonded Turntrans52.625.8-174.200000114.1K222 D223K222-A225 PolarHBondContact O-N 3.16Å; D223-A225 PolarHBondContact O-N 2.92Å
226I96.7Very high94.5Very high11 Ų1156.3 Ų56.36%0.05629%0.286CS..  trans-78.2133174.4-60.9171.9000108.3Y210 Y216 L224 H285Y210-I226 HydrophobicContact CD1-CD1 4.31Å; Y210-I226 HydrophobicContact CD1-CG2 3.49Å; Y210-I226 VanDerWaalsContact CD1-CG2 3.49Å; Y210-I226 HydrophobicContact CD2-CG2 4.47Å; Y210-I226 HydrophobicContact CE1-CD1 4.01Å; Y210-I226 HydrophobicContact CE1-CG2 3.77Å; Y210-I226 HydrophobicContact CG-CG2 3.87Å; Y216-I226 VanDerWaalsContact CE1-O 3.31Å; Y216-I226 WeakPolarHBondContact CE1-O 3.22Å; Y216-I226 PolarHBondContact OH-O 3.32Å; L224-I226 HydrophobicContact CB-CD1 3.97Å; L224-I226 HydrophobicContact CB-CG1 3.9Å; L224-I226 HydrophobicContact CD1-CD1 4.08Å; L224-I226 PolarHBondContact O-N 3.49Å; L224-I226 VanDerWaalsContact O-N 3.07Å; I226-H285 HydrophobicContact CD1-CB 4Å
227N95.9Very high94.7Very high67 Ų6754.5 Ų54.536%0.35828%0.278SS..  trans-72.6125176.5-177.3-19.4000109.9N229 H230N227-N229 PolarHBondContact O-N 2.77Å; N227-N229 VanDerWaalsContact O-N 3.08Å; N227-N229 WeakPolarHBondContact OD1-CB 3.04Å; N227-N229 PolarHBondContact OD1-N 3.4Å; N227-H230 WeakPolarHBondContact O-CB 3.38Å; N227-H230 PolarHBondContact O-N 2.62Å
228P93.7Very high95Very high32 Ų3245 Ų4521%0.20824%0.243CC..THydrogen-bonded Turntrans-59.8-21.8179.722.9-34000114.2T209 Y210 M211 Y216T209-P228 WeakPolarHBondContact CB-O 3.05Å; T209-P228 PolarHBondContact OG1-O 3.05Å; Y210-P228 PolarHBondContact N-O 3.45Å; M211-P228 HydrophobicContact CB-CB 4.05Å; M211-P228 WeakPolarHBondContact CB-O 3.26Å; M211-P228 HydrophobicContact CE-CB 3.59Å; M211-P228 HydrophobicContact CE-CG 4.08Å; M211-P228 PolarHBondContact N-O 2.96Å; M211-P228 HydrophobicContact SD-CB 4.12Å; Y216-P228 HydrophobicContact CD1-CB 4.28Å; Y216-P228 HydrophobicContact CD2-CB 4.03Å; Y216-P228 HydrophobicContact CE1-CB 3.92Å; Y216-P228 HydrophobicContact CE1-CG 4.25Å; Y216-P228 HydrophobicContact CE2-CB 3.66Å; Y216-P228 HydrophobicContact CG-CB 4.33Å; Y216-P228 WeakPolarHBondContact OH-CA 3.33Å
229N92.3Very high95.2Very high117 Ų11742 Ų4263%0.62623%0.23SC*.THydrogen-bonded Turntrans-87.9-6.4179.7-61.3-31.3000113.4N227N227-N229 PolarHBondContact O-N 2.77Å; N227-N229 VanDerWaalsContact O-N 3.08Å; N227-N229 WeakPolarHBondContact OD1-CB 3.04Å; N227-N229 PolarHBondContact OD1-N 3.4Å
230H94.1Very high95.4Very high71 Ų7137 Ų3733%0.32921%0.206SC..SBendtrans-63.2145.2172.5-73.6179.8000110.2T209 Y210 N227 H285T209-H230 CarbonylContact C-O 3.49Å; T209-H230 WeakPolarHBondContact CA-O 3.31Å; T209-H230 VanDerWaalsContact CB-O 3.22Å; T209-H230 WeakPolarHBondContact CB-O 3.3Å; Y210-H230 HydrophobicContact CD2-CB 4.02Å; Y210-H230 WeakPolarHBondContact CD2-O 3.4Å; Y210-H230 HydrophobicContact CE2-CB 4.27Å; Y210-H230 PolarHBondContact N-O 3.37Å; N227-H230 WeakPolarHBondContact O-CB 3.38Å; N227-H230 PolarHBondContact O-N 2.62Å; H230-H285 AromaticContact ND1-NE2 3.43Å; H230-H285 PolarHBondContact ND1-NE2 2.92Å
231C92.7Very high95.5Very high48 Ų4836 Ų3632%0.32420%0.201SC..BIsolated β-bridgetrans-71.4135.2178.9-70.60000111.4S190 C192 Y210S190-C231 WeakPolarHBondContact OG-CB 3.5Å; C192-C231 HydrophobicContact CB-CB 3.61Å; C192-C231 WeakPolarHBondContact CB-SG 3.49Å; C192-C231 WeakPolarHBondContact SG-CB 3.08Å; C192-C231 CovalentContact SG-SG 2.02Å; C192-C231 PolarHBondContact SG-SG 3.36Å; Y210-C231 VanDerWaalsContact CE2-O 3.28Å; Y210-C231 WeakPolarHBondContact CE2-O 3.21Å
232S92.8Very high95.6Very high0 Ų036.1 Ų36.10%020%0.202CC..  trans-74.9177.8170.560.40000111.2S190 D191 T208 F213S190-S232 WeakPolarHBondContact CA-O 3.4Å; S190-S232 PolarHBondContact OG-O 2.61Å; D191-S232 PolarHBondContact N-O 2.81Å; D191-S232 WeakPolarHBondContact OD2-CB 3.48Å; D191-S232 PolarHBondContact OD2-OG 2.92Å; T208-S232 VanDerWaalsContact C-OG 3.25Å; T208-S232 PolarHBondContact O-N 2.96Å; T208-S232 PolarHBondContact O-OG 3.19Å; F213-S232 VanDerWaalsContact CE2-OG 3.29Å; F213-S232 WeakPolarHBondContact CE2-OG 3.32Å
233F93.9Very high95.5Very high0 Ų038.4 Ų38.40%021%0.212CC..BIsolated β-bridgetrans-135156.516662.1-101.9000109.1F188 A189 D191 P235 M280 L281 F284 Y288F188-F233 HydrophobicContact CB-CB 3.86Å; F188-F233 HydrophobicContact CB-CD2 3.69Å; F188-F233 HydrophobicContact CB-CE2 4.39Å; F188-F233 HydrophobicContact CB-CG 3.78Å; F188-F233 AromaticContact CD1-CD2 3.66Å; F188-F233 HydrophobicContact CD1-CD2 3.66Å; F188-F233 AromaticContact CD1-CE2 3.75Å; F188-F233 HydrophobicContact CD1-CE2 3.75Å; F188-F233 AromaticContact CD2-CD2 4Å; F188-F233 HydrophobicContact CD2-CD2 4Å; F188-F233 HydrophobicContact CD2-CE1 4.39Å; F188-F233 AromaticContact CD2-CE2 3.84Å; F188-F233 HydrophobicContact CD2-CE2 3.84Å; F188-F233 HydrophobicContact CD2-CG 4.37Å; F188-F233 HydrophobicContact CD2-CZ 4.05Å; F188-F233 HydrophobicContact CE1-CD2 4.31Å; F188-F233 AromaticContact CE1-CE2 3.94Å; F188-F233 HydrophobicContact CE1-CE2 3.94Å; F188-F233 HydrophobicContact CE2-CE2 4.03Å; F188-F233 HydrophobicContact CE2-CZ 4.13Å; F188-F233 AromaticContact CG-CD2 3.51Å; F188-F233 HydrophobicContact CG-CD2 3.51Å; F188-F233 AromaticContact CG-CE2 3.73Å; F188-F233 HydrophobicContact CG-CE2 3.73Å; F188-F233 HydrophobicContact CG-CG 4.02Å; F188-F233 HydrophobicContact CG-CZ 4.38Å; F188-F233 HydrophobicContact CZ-CE2 4.1Å; A189-F233 WeakPolarHBondContact O-CA 3.33Å; A189-F233 VanDerWaalsContact O-CB 3.23Å; A189-F233 WeakPolarHBondContact O-CB 3.24Å; D191-F233 VanDerWaalsContact OD2-C 3.29Å; D191-F233 WeakPolarHBondContact OD2-CA 3.5Å; D191-F233 PolarHBondContact OD2-N 3.34Å; F233-P235 HydrophobicContact CE2-CB 4.47Å; F233-M280 HydrophobicContact CE2-CB 4.12Å; F233-M280 HydrophobicContact CZ-CB 4.23Å; F233-M280 WeakPolarHBondContact CZ-O 3.42Å; F233-L281 HydrophobicContact CD1-CD2 3.66Å; F233-L281 HydrophobicContact CD2-CD2 4.15Å; F233-L281 HydrophobicContact CE1-CD2 3.65Å; F233-L281 HydrophobicContact CE2-CD2 4.13Å; F233-L281 HydrophobicContact CG-CD2 3.91Å; F233-L281 HydrophobicContact CZ-CD2 3.88Å; F233-L281 WeakPolarHBondContact O-CD2 3.49Å; F233-F284 HydrophobicContact CE1-CB 4.03Å; F233-F284 HydrophobicContact CZ-CB 3.81Å; F233-Y288 HydrophobicContact CD1-CD1 4.38Å; F233-Y288 AromaticContact CD1-CE1 3.99Å; F233-Y288 HydrophobicContact CD1-CE1 3.99Å; F233-Y288 HydrophobicContact CD1-CE2 4.49Å; F233-Y288 HydrophobicContact CE1-CD1 4.32Å; F233-Y288 HydrophobicContact CE1-CE1 4.29Å
234N92Very high95.5Very high22 Ų2234.7 Ų34.712%0.11819%0.191CC..  trans-95.9125.9175.9-176.6-86.8000110.8G236 H296 R298 H320N234-G236 PolarHBondContact O-N 3.44Å; N234-G236 WeakPolarHBondContact OD1-CA 3.42Å; N234-G236 PolarHBondContact OD1-N 3.34Å; N234-H296 PolarHBondContact OD1-CE1 2.85Å; N234-H296 VanDerWaalsContact OD1-CE1 3.31Å; N234-R298 VanDerWaalsContact CG-NH1 3.27Å; N234-R298 PolarHBondContact OD1-NH1 2.88Å; N234-H320 PolarHBondContact OD1-CE1 3.14Å
235P94Very high95.6Very high1 Ų132.6 Ų32.61%0.00618%0.18CC..THydrogen-bonded Turntrans-86.221.9-178.236.4-37.9000113.2R146 F188 F233 F238 T277 M280R146-P235 VanDerWaalsContact NH1-C 3.3Å; R146-P235 PolarHBondContact NH1-O 2.89Å; F188-P235 HydrophobicContact CE1-CB 4.49Å; F233-P235 HydrophobicContact CE2-CB 4.47Å; P235-F238 WeakPolarHBondContact O-CD1 3.47Å; P235-F238 WeakPolarHBondContact O-CE1 3.37Å; P235-T277 HydrophobicContact CG-CG2 4.28Å; P235-M280 HydrophobicContact CB-CB 4.33Å; P235-M280 HydrophobicContact CB-CE 4.01Å; P235-M280 HydrophobicContact CB-CG 4.13Å
236G95Very high95.6Very high0 Ų033.6 Ų33.60%017%0.167CC..THydrogen-bonded Turntrans-86.9-17.8-178.200000114.9V162 D163 N234V162-G236 CarbonylContact C-O 3.57Å; V162-G236 WeakPolarHBondContact CA-O 3.35Å; D163-G236 PolarHBondContact N-O 2.87Å; D163-G236 WeakPolarHBondContact OD2-CA 3.32Å; N234-G236 PolarHBondContact O-N 3.44Å; N234-G236 WeakPolarHBondContact OD1-CA 3.42Å; N234-G236 PolarHBondContact OD1-N 3.34Å
237V97.6Very high95.7Very high0 Ų040.2 Ų40.20%020%0.196CC..EExtended strand (participates in β ladder)trans-141.3124.8170.2177.40000107.4Y161 V162 V166 L175 H296 L318Y161-V237 VanDerWaalsContact O-CA 3.31Å; Y161-V237 WeakPolarHBondContact O-CA 3.24Å; V162-V237 HydrophobicContact CG1-CG1 4.35Å; V162-V237 HydrophobicContact CG1-CG2 4.33Å; V166-V237 HydrophobicContact CG1-CG2 4.06Å; L175-V237 HydrophobicContact CD2-CG1 4.03Å; V237-H296 VanDerWaalsContact CB-CE1 3.45Å; V237-H296 WeakPolarHBondContact CB-CE1 3.44Å; V237-H296 WeakPolarHBondContact CG2-NE2 3.44Å; V237-H296 PolarHBondContact N-CE1 2.99Å; V237-L318 HydrophobicContact CG1-CD1 3.92Å; V237-L318 HydrophobicContact CG2-CD1 3.86Å; V237-L318 HydrophobicContact CG2-CD2 3.87Å
238F98.4Very high95.8Very high0 Ų039.7 Ų39.70%019%0.191CC..EExtended strand (participates in β ladder)trans-160.1154.1175.961.6-83.7000112.7R146 L149 I160 Y161 A186 A187 F188 P235 A240 W245 M280R146-F238 HydrophobicContact CB-CE1 4.12Å; R146-F238 HydrophobicContact CB-CZ 4.1Å; L149-F238 HydrophobicContact CD1-CE2 3.73Å; L149-F238 HydrophobicContact CD1-CZ 3.78Å; I160-F238 WeakPolarHBondContact CA-O 2.83Å; Y161-F238 AromaticContact CD1-CD1 3.78Å; Y161-F238 HydrophobicContact CD1-CD1 3.78Å; Y161-F238 AromaticContact CD1-CE1 3.3Å; Y161-F238 HydrophobicContact CD1-CE1 3.3Å; Y161-F238 HydrophobicContact CD1-CZ 4.12Å; Y161-F238 HydrophobicContact CD2-CE1 4.35Å; Y161-F238 HydrophobicContact CD2-CZ 4.42Å; Y161-F238 HydrophobicContact CE1-CE1 4.13Å; Y161-F238 HydrophobicContact CG-CD1 4.11Å; Y161-F238 AromaticContact CG-CE1 3.45Å; Y161-F238 HydrophobicContact CG-CE1 3.45Å; Y161-F238 VanDerWaalsContact CG-CE1 3.45Å; Y161-F238 AromaticContact CG-CZ 3.8Å; Y161-F238 HydrophobicContact CG-CZ 3.8Å; Y161-F238 PolarHBondContact N-O 3.43Å; Y161-F238 PolarHBondContact O-N 2.92Å; Y161-F238 VanDerWaalsContact O-N 3.07Å; A186-F238 HydrophobicContact CB-CD2 4.39Å; A187-F238 VanDerWaalsContact O-CA 3.31Å; A187-F238 WeakPolarHBondContact O-CA 3.35Å; A187-F238 WeakPolarHBondContact O-CB 3.49Å; F188-F238 HydrophobicContact CD1-CB 3.44Å; F188-F238 VanDerWaalsContact CD1-CB 3.44Å; F188-F238 HydrophobicContact CD1-CD1 4.32Å; F188-F238 AromaticContact CD1-CG 3.98Å; F188-F238 HydrophobicContact CD1-CG 3.98Å; F188-F238 HydrophobicContact CE1-CB 3.4Å; F188-F238 VanDerWaalsContact CE1-CB 3.4Å; F188-F238 AromaticContact CE1-CD1 3.74Å; F188-F238 HydrophobicContact CE1-CD1 3.74Å; F188-F238 AromaticContact CE1-CD2 3.85Å; F188-F238 HydrophobicContact CE1-CD2 3.85Å; F188-F238 HydrophobicContact CE1-CE1 4.41Å; F188-F238 AromaticContact CE1-CG 3.42Å; F188-F238 HydrophobicContact CE1-CG 3.42Å; F188-F238 VanDerWaalsContact CE1-CG 3.42Å; F188-F238 HydrophobicContact CG-CB 4.34Å; F188-F238 HydrophobicContact CZ-CB 4.28Å; F188-F238 HydrophobicContact CZ-CD2 4.18Å; F188-F238 HydrophobicContact CZ-CG 4.2Å; P235-F238 WeakPolarHBondContact O-CD1 3.47Å; P235-F238 WeakPolarHBondContact O-CE1 3.37Å; F238-A240 HydrophobicContact CD2-CB 3.99Å; F238-A240 HydrophobicContact CE2-CB 3.86Å; F238-W245 HydrophobicContact CE2-CH2 4.27Å; F238-W245 AromaticContact CE2-CZ3 3.92Å; F238-W245 HydrophobicContact CE2-CZ3 3.92Å; F238-M280 HydrophobicContact CZ-CE 4.42Å
239V98.6Very high96Very high0 Ų045.1 Ų45.10%021%0.211CC..EExtended strand (participates in β ladder)trans-91.7135.1167.2-176.50000107.9R158 I160 L175 A186 A187R158-V239 HydrophobicContact CG-CG1 3.99Å; I160-V239 HydrophobicContact CG1-CG2 4.35Å; L175-V239 HydrophobicContact CD1-CG2 3.85Å; L175-V239 HydrophobicContact CG-CG2 4Å; L175-V239 VanDerWaalsContact O-CG2 3.3Å; L175-V239 WeakPolarHBondContact O-CG2 3.38Å; A186-V239 CarbonylContact C-O 3.55Å; A186-V239 WeakPolarHBondContact CA-O 3.47Å; A186-V239 WeakPolarHBondContact CB-O 3.44Å; A187-V239 HydrophobicContact CB-CB 4.45Å; A187-V239 PolarHBondContact N-O 3.22Å; A187-V239 PolarHBondContact O-N 3.27Å
240A98.3Very high96.3Very high0 Ų039.6 Ų39.60%018%0.182CC..EExtended strand (participates in β ladder)trans-126.7131.5178.300000112.1L149 R158 V159 A185 F238 I242 W245L149-A240 HydrophobicContact CD1-CB 4.22Å; R158-A240 CarbonylContact C-O 3.56Å; R158-A240 VanDerWaalsContact CA-O 3.28Å; R158-A240 WeakPolarHBondContact CA-O 3.44Å; V159-A240 HydrophobicContact CG2-CB 3.95Å; V159-A240 PolarHBondContact N-O 3.35Å; V159-A240 PolarHBondContact O-N 3.5Å; A185-A240 CarbonylContact O-C 3.54Å; A185-A240 WeakPolarHBondContact O-CA 3.25Å; F238-A240 HydrophobicContact CD2-CB 3.99Å; F238-A240 HydrophobicContact CE2-CB 3.86Å; A240-I242 HydrophobicContact CB-CD1 4.46Å; A240-W245 HydrophobicContact CB-CE3 4.23Å; A240-W245 HydrophobicContact CB-CZ3 4.34Å
241E97.9Very high96.5Very high28 Ų2836.9 Ų36.913%0.13117%0.17CC..EExtended strand (participates in β ladder)trans-89.197.3166.8-80.7-69.5169.500109.2R157 R158 L180 A185 K243 E244 W245R157-E241 CarbonylContact O-C 3.58Å; R158-E241 IonicContact CZ-OE1 3.36Å; R158-E241 IonicContact NE-OE1 3.35Å; R158-E241 PolarHBondContact NE-OE1 3.19Å; R158-E241 IonicContact NH2-OE1 3.01Å; R158-E241 PolarHBondContact NH2-OE1 3.09Å; L180-E241 HydrophobicContact CD1-CB 4.08Å; L180-E241 HydrophobicContact CD1-CG 3.48Å; L180-E241 VanDerWaalsContact CD1-CG 3.48Å; L180-E241 HydrophobicContact CG-CG 4.27Å; A185-E241 PolarHBondContact O-N 3.3Å; E241-K243 VanDerWaalsContact C-N 3.27Å; E241-K243 PolarHBondContact O-N 3.39Å; E241-E244 HydrophobicContact CB-CB 4.04Å; E241-E244 PolarHBondContact O-N 2.93Å; E241-W245 WeakPolarHBondContact O-CB 3.45Å; E241-W245 PolarHBondContact O-N 3.47Å
242I97.4Very high96.8Very high4 Ų441.8 Ų41.82%0.02119%0.186CC..Hα-helixtrans-58.5-38.5-176.7-58.8-57.2000111.5L149 P150 R157 V159 A240 W245 K246L149-I242 HydrophobicContact CB-CD1 4.03Å; P150-I242 HydrophobicContact CB-CG2 4.23Å; R157-I242 WeakPolarHBondContact O-CA 3.36Å; R157-I242 VanDerWaalsContact O-CB 3.26Å; R157-I242 WeakPolarHBondContact O-CB 3.37Å; R157-I242 PolarHBondContact O-N 3.25Å; V159-I242 HydrophobicContact CG1-CG1 4.21Å; V159-I242 HydrophobicContact CG2-CD1 3.69Å; V159-I242 HydrophobicContact CG2-CG1 4.08Å; A240-I242 HydrophobicContact CB-CD1 4.46Å; I242-W245 PolarHBondContact O-N 3.1Å; I242-K246 HydrophobicContact CG2-CD 4.22Å; I242-K246 WeakPolarHBondContact O-CB 3.43Å; I242-K246 VanDerWaalsContact O-CG 3.3Å; I242-K246 WeakPolarHBondContact O-CG 3.19Å; I242-K246 PolarHBondContact O-N 3.3Å
243K94.4Very high97Very high154 Ų15445 Ų4567%0.6720%0.201SC*.Hα-helixtrans-64.5-46.4178.6-172.5174.6-178.6173.10111.5E241 K246 K247E241-K243 VanDerWaalsContact C-N 3.27Å; E241-K243 PolarHBondContact O-N 3.39Å; K243-K246 PolarHBondContact O-N 3.21Å; K243-K247 WeakPolarHBondContact O-CB 3.26Å; K243-K247 PolarHBondContact O-N 3.42Å
244E97.4Very high97.2Very high37 Ų3745 Ų4517%0.17320%0.201CC..Hα-helixtrans-69.7-38.1178.6-167.961-148.800111.1A185 E241 K246 K247 Q248A185-E244 HydrophobicContact CB-CB 4.14Å; A185-E244 HydrophobicContact CB-CG 4.08Å; E241-E244 HydrophobicContact CB-CB 4.04Å; E241-E244 PolarHBondContact O-N 2.93Å; E244-K246 PolarHBondContact O-N 3.21Å; E244-K247 PolarHBondContact O-N 2.95Å; E244-K247 IonicContact OE1-NZ 2.74Å; E244-K247 PolarHBondContact OE1-NZ 2.97Å; E244-K247 VanDerWaalsContact OE1-NZ 3.1Å; E244-K247 WeakPolarHBondContact OE2-CD 3.24Å; E244-K247 IonicContact OE2-NZ 2.7Å; E244-K247 PolarHBondContact OE2-NZ 3.36Å; E244-Q248 VanDerWaalsContact CG-NE2 3.32Å; E244-Q248 WeakPolarHBondContact O-CG 3.32Å; E244-Q248 PolarHBondContact O-N 2.93Å; E244-Q248 PolarHBondContact OE1-NE2 3.23Å
245W98Very high97.5Very high1 Ų145.9 Ų45.90%0.00421%0.205CC..Hα-helixtrans-58.2-45174.2-168.5-61.8000112.4P150 A185 A186 F238 A240 E241 I242 K249 I250 T251 L254 M280 F284P150-W245 HydrophobicContact CG-CB 4.35Å; P150-W245 HydrophobicContact CG-CG 3.85Å; A185-W245 HydrophobicContact CB-CB 4.24Å; A186-W245 HydrophobicContact CB-CZ3 4.42Å; F238-W245 HydrophobicContact CE2-CH2 4.27Å; F238-W245 AromaticContact CE2-CZ3 3.92Å; F238-W245 HydrophobicContact CE2-CZ3 3.92Å; A240-W245 HydrophobicContact CB-CE3 4.23Å; A240-W245 HydrophobicContact CB-CZ3 4.34Å; E241-W245 WeakPolarHBondContact O-CB 3.45Å; E241-W245 PolarHBondContact O-N 3.47Å; I242-W245 PolarHBondContact O-N 3.1Å; W245-K249 PolarHBondContact O-N 3.23Å; W245-I250 HydrophobicContact CB-CD1 4.33Å; W245-I250 HydrophobicContact CD2-CB 3.99Å; W245-I250 HydrophobicContact CD2-CD1 4.09Å; W245-I250 HydrophobicContact CD2-CG2 3.82Å; W245-I250 HydrophobicContact CE3-CD1 4.35Å; W245-I250 HydrophobicContact CE3-CG2 4.41Å; W245-I250 HydrophobicContact CG-CB 3.89Å; W245-I250 HydrophobicContact CG-CD1 4.08Å; W245-I250 HydrophobicContact CG-CG1 4.41Å; W245-I250 HydrophobicContact CG-CG2 4.28Å; W245-I250 HydrophobicContact CH2-CG2 4.16Å; W245-I250 HydrophobicContact CZ2-CB 4.43Å; W245-I250 HydrophobicContact CZ2-CG2 3.51Å; W245-I250 PolarHBondContact O-N 3.3Å; W245-I250 VanDerWaalsContact O-N 3.15Å; W245-T251 PolarHBondContact NE1-OG1 3.1Å; W245-L254 HydrophobicContact CH2-CD1 4.39Å; W245-L254 HydrophobicContact CZ2-CD1 3.68Å; W245-M280 HydrophobicContact CH2-CE 4.16Å; W245-M280 HydrophobicContact CH2-SD 4.21Å; W245-F284 AromaticContact CE3-CZ 3.85Å; W245-F284 HydrophobicContact CE3-CZ 3.85Å; W245-F284 AromaticContact CH2-CE2 3.84Å; W245-F284 HydrophobicContact CH2-CE2 3.84Å; W245-F284 AromaticContact CH2-CZ 3.72Å; W245-F284 HydrophobicContact CH2-CZ 3.72Å; W245-F284 HydrophobicContact CZ2-CE2 4.49Å; W245-F284 HydrophobicContact CZ2-CZ 4.39Å; W245-F284 HydrophobicContact CZ3-CE1 4.43Å; W245-F284 HydrophobicContact CZ3-CE2 4.01Å; W245-F284 AromaticContact CZ3-CZ 3.42Å; W245-F284 HydrophobicContact CZ3-CZ 3.42Å; W245-F284 VanDerWaalsContact CZ3-CZ 3.42Å
246K97.3Very high97.6Very high113 Ų11353.8 Ų53.849%0.49123%0.234SC..Hα-helixtrans-63.2-48.5174.5-74175.6-178.4176.10111.3P150 I242 K243 E244 Q248 K249P150-K246 HydrophobicContact CB-CD 4.17Å; P150-K246 VanDerWaalsContact CB-CE 3.49Å; P150-K246 HydrophobicContact CB-CG 3.58Å; P150-K246 HydrophobicContact CG-CG 4.22Å; I242-K246 HydrophobicContact CG2-CD 4.22Å; I242-K246 WeakPolarHBondContact O-CB 3.43Å; I242-K246 VanDerWaalsContact O-CG 3.3Å; I242-K246 WeakPolarHBondContact O-CG 3.19Å; I242-K246 PolarHBondContact O-N 3.3Å; K243-K246 PolarHBondContact O-N 3.21Å; E244-K246 PolarHBondContact O-N 3.21Å; K246-Q248 VanDerWaalsContact C-N 3.31Å; K246-Q248 PolarHBondContact O-N 2.88Å; K246-K249 PolarHBondContact O-N 3.31Å
247K97.3Very high97.7Very high149 Ų14955.3 Ų55.365%0.64824%0.24SC*.Hα-helixtrans-57.1-42.7-179.5177.9-173.2162.8-152.60112.1K243 E244 K249K243-K247 WeakPolarHBondContact O-CB 3.26Å; K243-K247 PolarHBondContact O-N 3.42Å; E244-K247 PolarHBondContact O-N 2.95Å; E244-K247 IonicContact OE1-NZ 2.74Å; E244-K247 PolarHBondContact OE1-NZ 2.97Å; E244-K247 VanDerWaalsContact OE1-NZ 3.1Å; E244-K247 WeakPolarHBondContact OE2-CD 3.24Å; E244-K247 IonicContact OE2-NZ 2.7Å; E244-K247 PolarHBondContact OE2-NZ 3.36Å; K247-K249 VanDerWaalsContact C-N 3.28Å; K247-K249 PolarHBondContact O-N 3.39Å
248Q98.3Very high97.6Very high57 Ų5755.6 Ų55.627%0.26624%0.241SC..THydrogen-bonded Turntrans-82.5-2.4178.5-65.6-173.734.200113.8G183 E244 K246 I250 Q253G183-Q248 PolarHBondContact O-NE2 3.04Å; E244-Q248 VanDerWaalsContact CG-NE2 3.32Å; E244-Q248 WeakPolarHBondContact O-CG 3.32Å; E244-Q248 PolarHBondContact O-N 2.93Å; E244-Q248 PolarHBondContact OE1-NE2 3.23Å; K246-Q248 VanDerWaalsContact C-N 3.31Å; K246-Q248 PolarHBondContact O-N 2.88Å; Q248-I250 HydrophobicContact CB-CD1 4.26Å; Q248-I250 HydrophobicContact CB-CG1 3.81Å; Q248-I250 PolarHBondContact O-N 3.35Å; Q248-Q253 PolarHBondContact O-NE2 2.89Å
249K98.3Very high97.4Very high145 Ų14558.5 Ų58.563%0.6326%0.255SS*.THydrogen-bonded Turntrans54.737.6-178.5-53179.1-178.2174.30112.6W245 K246 K247 T251 K252 Q253W245-K249 PolarHBondContact O-N 3.23Å; K246-K249 PolarHBondContact O-N 3.31Å; K247-K249 VanDerWaalsContact C-N 3.28Å; K247-K249 PolarHBondContact O-N 3.39Å; K249-T251 VanDerWaalsContact C-N 3.32Å; K249-T251 PolarHBondContact O-N 3.38Å; K249-K252 HydrophobicContact CB-CB 4.4Å; K249-K252 WeakPolarHBondContact O-CB 3.33Å; K249-K252 PolarHBondContact O-N 3.21Å; K249-Q253 PolarHBondContact O-N 2.96Å
250I98.6Very high97.2Very high2 Ų260.4 Ų60.41%0.0126%0.264CS..Hα-helixtrans-57.9-42.9-173.1-68.6179.1000111.6A185 W245 Q248 K252 Q253 L254 V283 F284A185-I250 HydrophobicContact CB-CD1 3.36Å; W245-I250 HydrophobicContact CB-CD1 4.33Å; W245-I250 HydrophobicContact CD2-CB 3.99Å; W245-I250 HydrophobicContact CD2-CD1 4.09Å; W245-I250 HydrophobicContact CD2-CG2 3.82Å; W245-I250 HydrophobicContact CE3-CD1 4.35Å; W245-I250 HydrophobicContact CE3-CG2 4.41Å; W245-I250 HydrophobicContact CG-CB 3.89Å; W245-I250 HydrophobicContact CG-CD1 4.08Å; W245-I250 HydrophobicContact CG-CG1 4.41Å; W245-I250 HydrophobicContact CG-CG2 4.28Å; W245-I250 HydrophobicContact CH2-CG2 4.16Å; W245-I250 HydrophobicContact CZ2-CB 4.43Å; W245-I250 HydrophobicContact CZ2-CG2 3.51Å; W245-I250 PolarHBondContact O-N 3.3Å; W245-I250 VanDerWaalsContact O-N 3.15Å; Q248-I250 HydrophobicContact CB-CD1 4.26Å; Q248-I250 HydrophobicContact CB-CG1 3.81Å; Q248-I250 PolarHBondContact O-N 3.35Å; I250-K252 VanDerWaalsContact C-N 3.27Å; I250-K252 PolarHBondContact O-N 3.32Å; I250-Q253 WeakPolarHBondContact O-CA 3.11Å; I250-Q253 WeakPolarHBondContact O-CB 3.49Å; I250-Q253 PolarHBondContact O-N 2.96Å; I250-L254 HydrophobicContact CG2-CD1 3.89Å; I250-L254 HydrophobicContact CG2-CG 4.18Å; I250-L254 WeakPolarHBondContact O-CG 3.48Å; I250-L254 PolarHBondContact O-N 3.07Å; I250-V283 HydrophobicContact CG2-CG1 3.89Å; I250-F284 HydrophobicContact CD1-CE1 3.77Å; I250-F284 HydrophobicContact CD1-CZ 3.72Å; I250-F284 HydrophobicContact CG2-CE2 3.88Å; I250-F284 HydrophobicContact CG2-CZ 3.7Å
251T98.4Very high96.9Very high14 Ų1461.2 Ų61.29%0.08627%0.268CS..Hα-helixtrans-53.8-42.9176.1-59.30000112.2F147 Y148 L151 W245 K249 Q253 L254 E255F147-T251 WeakPolarHBondContact O-CB 3.45Å; F147-T251 VanDerWaalsContact O-CG2 3.25Å; F147-T251 WeakPolarHBondContact O-CG2 3.28Å; F147-T251 PolarHBondContact O-OG1 2.89Å; Y148-T251 HydrophobicContact CD1-CG2 3.96Å; Y148-T251 HydrophobicContact CE1-CG2 4.16Å; L151-T251 HydrophobicContact CD1-CG2 3.99Å; W245-T251 PolarHBondContact NE1-OG1 3.1Å; K249-T251 VanDerWaalsContact C-N 3.32Å; K249-T251 PolarHBondContact O-N 3.38Å; T251-Q253 VanDerWaalsContact C-N 3.32Å; T251-Q253 PolarHBondContact O-N 3.08Å; T251-L254 PolarHBondContact O-N 3.02Å; T251-E255 WeakPolarHBondContact O-CG 3.37Å; T251-E255 PolarHBondContact O-N 3.45Å
252K98.3Very high96.5Very high150 Ų15063.4 Ų63.465%0.65228%0.277SS*.Hα-helixtrans-66.5-34.8177.4-174.5175.4-178.9175.90112.2K249 I250 R256K249-K252 HydrophobicContact CB-CB 4.4Å; K249-K252 WeakPolarHBondContact O-CB 3.33Å; K249-K252 PolarHBondContact O-N 3.21Å; I250-K252 VanDerWaalsContact C-N 3.27Å; I250-K252 PolarHBondContact O-N 3.32Å; K252-R256 PolarHBondContact O-N 3.43Å; K252-R256 VanDerWaalsContact O-N 3.08Å
253Q98.5Very high96.2Very high69 Ų6970.1 Ų70.132%0.32230%0.303SS..Hα-helixtrans-68-42.9175.5-59.1-177.757.700111Q248 K249 I250 T251 R256 W257 V283Q248-Q253 PolarHBondContact O-NE2 2.89Å; K249-Q253 PolarHBondContact O-N 2.96Å; I250-Q253 WeakPolarHBondContact O-CA 3.11Å; I250-Q253 WeakPolarHBondContact O-CB 3.49Å; I250-Q253 PolarHBondContact O-N 2.96Å; T251-Q253 VanDerWaalsContact C-N 3.32Å; T251-Q253 PolarHBondContact O-N 3.08Å; Q253-R256 WeakPolarHBondContact O-CB 3.29Å; Q253-R256 PolarHBondContact O-N 2.83Å; Q253-W257 PolarHBondContact O-N 2.97Å; Q253-V283 HydrophobicContact CB-CG1 4.07Å; Q253-V283 HydrophobicContact CB-CG2 3.75Å
254L98.2Very high96Very high0 Ų066.5 Ų66.50%029%0.288CS..Hα-helixtrans-60.5-47.8175.6-65.5169.2000111.1F147 W245 I250 T251 R256 W257 M258 P279 M280 V283F147-L254 HydrophobicContact CB-CB 4.29Å; F147-L254 HydrophobicContact CB-CD1 3.75Å; F147-L254 HydrophobicContact CD1-CD1 3.87Å; F147-L254 HydrophobicContact CD2-CB 4.18Å; F147-L254 HydrophobicContact CG-CB 4.16Å; F147-L254 HydrophobicContact CG-CD1 3.86Å; W245-L254 HydrophobicContact CH2-CD1 4.39Å; W245-L254 HydrophobicContact CZ2-CD1 3.68Å; I250-L254 HydrophobicContact CG2-CD1 3.89Å; I250-L254 HydrophobicContact CG2-CG 4.18Å; I250-L254 WeakPolarHBondContact O-CG 3.48Å; I250-L254 PolarHBondContact O-N 3.07Å; T251-L254 PolarHBondContact O-N 3.02Å; L254-R256 VanDerWaalsContact C-N 3.32Å; L254-R256 PolarHBondContact O-N 3.01Å; L254-W257 PolarHBondContact O-N 3Å; L254-W257 VanDerWaalsContact O-N 3.11Å; L254-M258 WeakPolarHBondContact O-CG 3.43Å; L254-M258 PolarHBondContact O-N 3.45Å; L254-P279 VanDerWaalsContact CD2-C 3.49Å; L254-P279 HydrophobicContact CD2-CB 3.9Å; L254-P279 WeakPolarHBondContact CD2-O 3.44Å; L254-M280 HydrophobicContact CD1-SD 3.89Å; L254-M280 HydrophobicContact CD2-CG 4.18Å; L254-M280 HydrophobicContact CD2-SD 3.83Å; L254-V283 HydrophobicContact CD2-CB 3.92Å; L254-V283 HydrophobicContact CD2-CG1 4.46Å; L254-V283 HydrophobicContact CD2-CG2 3.73Å; L254-V283 HydrophobicContact CG-CG2 4.2Å
255E97.3Very high95.6Very high40 Ų4068.2 Ų68.219%0.18730%0.298CS..Hα-helixtrans-59.3-41.4177-71.9-170.613100112.6K128 Y148 T251 W257 M258 E259K128-E255 HydrophobicContact CD-CB 4.48Å; K128-E255 HydrophobicContact CD-CG 4.39Å; K128-E255 IonicContact NZ-OE1 3.74Å; K128-E255 PolarHBondContact NZ-OE1 3.22Å; Y148-E255 HydrophobicContact CE1-CG 4.27Å; Y148-E255 WeakPolarHBondContact CE1-OE1 3.45Å; Y148-E255 WeakPolarHBondContact OH-CG 3.31Å; Y148-E255 PolarHBondContact OH-OE1 3.37Å; T251-E255 WeakPolarHBondContact O-CG 3.37Å; T251-E255 PolarHBondContact O-N 3.45Å; E255-W257 VanDerWaalsContact C-N 3.28Å; E255-W257 PolarHBondContact O-N 3.31Å; E255-M258 WeakPolarHBondContact O-CB 3.41Å; E255-M258 PolarHBondContact O-N 3.25Å; E255-E259 WeakPolarHBondContact O-CG 3.4Å; E255-E259 PolarHBondContact O-N 3.06Å
256R97.2Very high95.3Very high166 Ų16668.1 Ų68.163%0.62630%0.298SS*.Hα-helixtrans-55.8-44.8174.8176.7-174.7173.5-173.1-2.3111.3K252 Q253 L254 E259 E260K252-R256 PolarHBondContact O-N 3.43Å; K252-R256 VanDerWaalsContact O-N 3.08Å; Q253-R256 WeakPolarHBondContact O-CB 3.29Å; Q253-R256 PolarHBondContact O-N 2.83Å; L254-R256 VanDerWaalsContact C-N 3.32Å; L254-R256 PolarHBondContact O-N 3.01Å; R256-E259 PolarHBondContact O-N 3.12Å; R256-E260 WeakPolarHBondContact O-CB 3.3Å; R256-E260 PolarHBondContact O-N 3.31Å
257W96.2Very high94.9Very high33 Ų3363.3 Ų63.313%0.12528%0.277CS..Hα-helixtrans-70-35179.2-75.6114.4000112.6L224 Q253 L254 E255 E260 N261 I266 Y267 P279 I282L224-W257 HydrophobicContact CD1-CH2 3.99Å; L224-W257 HydrophobicContact CD1-CZ3 4.35Å; L224-W257 HydrophobicContact CD2-CH2 3.35Å; L224-W257 HydrophobicContact CD2-CZ2 3.39Å; L224-W257 HydrophobicContact CD2-CZ3 4.44Å; L224-W257 HydrophobicContact CG-CH2 3.9Å; L224-W257 HydrophobicContact CG-CZ2 4.38Å; Q253-W257 PolarHBondContact O-N 2.97Å; L254-W257 PolarHBondContact O-N 3Å; L254-W257 VanDerWaalsContact O-N 3.11Å; E255-W257 VanDerWaalsContact C-N 3.28Å; E255-W257 PolarHBondContact O-N 3.31Å; W257-E260 HydrophobicContact CE3-CB 4.22Å; W257-E260 HydrophobicContact CE3-CG 4.46Å; W257-E260 HydrophobicContact CZ3-CG 4.37Å; W257-E260 PolarHBondContact O-N 3.06Å; W257-N261 PolarHBondContact O-N 3.44Å; W257-I266 HydrophobicContact CE3-CD1 3.69Å; W257-I266 HydrophobicContact CZ3-CD1 3.75Å; W257-Y267 WeakPolarHBondContact CB-OH 3.13Å; W257-Y267 PolarHBondContact O-OH 2.88Å; W257-P279 HydrophobicContact CB-CB 4.18Å; W257-I282 HydrophobicContact CD2-CB 4.43Å; W257-I282 HydrophobicContact CD2-CD1 3.84Å; W257-I282 HydrophobicContact CD2-CG2 3.89Å; W257-I282 HydrophobicContact CE3-CD1 3.72Å; W257-I282 HydrophobicContact CG-CD1 4.25Å; W257-I282 HydrophobicContact CG-CG2 4.33Å; W257-I282 HydrophobicContact CH2-CG2 4.25Å; W257-I282 HydrophobicContact CZ2-CG2 3.58Å; W257-I282 HydrophobicContact CZ3-CD1 4.19Å
258M94.7Very high93.9Very high5 Ų557.4 Ų57.43%0.02525%0.254CS..Hα-helixtrans-60-46.8171.1-62.717372.700111.7L125 K128 V129 F144 F147 L254 E255 N261 F262 P279L125-M258 HydrophobicContact CD2-CE 3.84Å; K128-M258 HydrophobicContact CB-CB 3.94Å; K128-M258 HydrophobicContact CB-CE 3.88Å; K128-M258 CarbonylContact O-C 3.59Å; V129-M258 HydrophobicContact CG2-CE 3.56Å; F144-M258 HydrophobicContact CD1-CE 3.48Å; F144-M258 VanDerWaalsContact CD1-CE 3.48Å; F144-M258 HydrophobicContact CD1-SD 4.39Å; F144-M258 HydrophobicContact CE1-CE 3.71Å; F144-M258 HydrophobicContact CG-CE 4.25Å; F147-M258 HydrophobicContact CD2-CE 4.41Å; F147-M258 HydrophobicContact CD2-CG 4.3Å; F147-M258 HydrophobicContact CD2-SD 3.43Å; F147-M258 WeakPolarHBondContact CD2-SD 3.26Å; F147-M258 HydrophobicContact CE2-CE 4.25Å; F147-M258 HydrophobicContact CE2-CG 3.85Å; F147-M258 HydrophobicContact CE2-SD 3.49Å; F147-M258 WeakPolarHBondContact CE2-SD 3.48Å; L254-M258 WeakPolarHBondContact O-CG 3.43Å; L254-M258 PolarHBondContact O-N 3.45Å; E255-M258 WeakPolarHBondContact O-CB 3.41Å; E255-M258 PolarHBondContact O-N 3.25Å; M258-N261 PolarHBondContact O-N 3.06Å; M258-F262 WeakPolarHBondContact O-CB 3.3Å; M258-F262 PolarHBondContact O-N 3.19Å; M258-P279 HydrophobicContact CG-CG 4.18Å
259E94.7Very high92.2Very high61 Ų6156.9 Ų56.929%0.28526%0.257SS..Hα-helixtrans-63.7-39.7176.3-70-179.8-161.100112.5K128 E255 R256 N261 F262 R263K128-E259 HydrophobicContact CG-CG 3.9Å; E255-E259 WeakPolarHBondContact O-CG 3.4Å; E255-E259 PolarHBondContact O-N 3.06Å; R256-E259 PolarHBondContact O-N 3.12Å; E259-N261 VanDerWaalsContact C-N 3.35Å; E259-F262 WeakPolarHBondContact O-CB 3.33Å; E259-F262 PolarHBondContact O-N 3.46Å; E259-R263 WeakPolarHBondContact O-CG 3.35Å; E259-R263 PolarHBondContact O-N 2.92Å; E259-R263 IonicContact OE2-CZ 3.75Å; E259-R263 IonicContact OE2-NH1 3.92Å; E259-R263 IonicContact OE2-NH2 2.94Å; E259-R263 PolarHBondContact OE2-NH2 3.06Å
260E94Very high90.3Very high40 Ų4054.1 Ų54.119%0.18726%0.261CS..Hα-helixtrans-62.4-44.7177-162.858.4-135.700110.9R256 W257 F262 R263 Q264 I266R256-E260 WeakPolarHBondContact O-CB 3.3Å; R256-E260 PolarHBondContact O-N 3.31Å; W257-E260 HydrophobicContact CE3-CB 4.22Å; W257-E260 HydrophobicContact CE3-CG 4.46Å; W257-E260 HydrophobicContact CZ3-CG 4.37Å; W257-E260 PolarHBondContact O-N 3.06Å; E260-F262 VanDerWaalsContact C-N 3.33Å; E260-F262 PolarHBondContact O-N 3.33Å; E260-R263 PolarHBondContact O-N 2.95Å; E260-R263 VanDerWaalsContact O-N 3.14Å; E260-Q264 PolarHBondContact O-N 3.08Å; E260-Q264 WeakPolarHBondContact OE1-CG 3.41Å; E260-I266 HydrophobicContact CB-CD1 4.16Å; E260-I266 HydrophobicContact CG-CD1 3.98Å
261N91.8Very high88.3Confident18 Ų1858.4 Ų58.410%0.09628%0.282CS..Hα-helixtrans-64.7-36.7173.2-174.961.7000113W257 M258 E259 R263 N265 I266 Y267W257-N261 PolarHBondContact O-N 3.44Å; M258-N261 PolarHBondContact O-N 3.06Å; E259-N261 VanDerWaalsContact C-N 3.35Å; N261-R263 PolarHBondContact O-N 3.46Å; N261-N265 VanDerWaalsContact O-CA 3.31Å; N261-N265 WeakPolarHBondContact O-CA 3.41Å; N261-N265 PolarHBondContact O-N 3.06Å; N261-I266 HydrophobicContact CB-CG1 3.83Å; N261-I266 PolarHBondContact OD1-N 3.01Å; N261-Y267 HydrophobicContact CB-CD1 4.23Å; N261-Y267 HydrophobicContact CB-CD2 3.68Å; N261-Y267 HydrophobicContact CB-CE1 3.96Å; N261-Y267 HydrophobicContact CB-CE2 3.36Å; N261-Y267 HydrophobicContact CB-CG 4.08Å; N261-Y267 VanDerWaalsContact CG-CE2 3.45Å; N261-Y267 VanDerWaalsContact CG-CG 3.47Å; N261-Y267 WeakPolarHBondContact ND2-CD2 3.33Å; N261-Y267 WeakPolarHBondContact OD1-CD2 3.39Å; N261-Y267 VanDerWaalsContact OD1-CG 3.31Å; N261-Y267 PolarHBondContact OD1-N 3.05Å
262F90.3Very high86.4Confident73 Ų7358.1 Ų58.132%0.3228%0.281SS..Hα-helixtrans-60.1-35173.2-171.7-87.2000111.9G127 V129 K130 M258 E259 E260G127-F262 WeakPolarHBondContact O-CG 3.3Å; V129-F262 WeakPolarHBondContact O-CE2 3.28Å; K130-F262 HydrophobicContact CB-CD2 4.42Å; K130-F262 WeakPolarHBondContact CE-O 3.36Å; K130-F262 HydrophobicContact CG-CD2 3.6Å; K130-F262 HydrophobicContact CG-CE2 3.9Å; K130-F262 HydrophobicContact CG-CG 4.27Å; K130-F262 PolarHBondContact NZ-O 3Å; M258-F262 WeakPolarHBondContact O-CB 3.3Å; M258-F262 PolarHBondContact O-N 3.19Å; E259-F262 WeakPolarHBondContact O-CB 3.33Å; E259-F262 PolarHBondContact O-N 3.46Å; E260-F262 VanDerWaalsContact C-N 3.33Å; E260-F262 PolarHBondContact O-N 3.33Å
263R90.9Very high84.6Confident146 Ų14651.7 Ų51.755%0.55126%0.258SS*.Hα-helixtrans-81.9-51.3177.8-65.9176.1-166.8115.48.8112.3E259 E260 N261E259-R263 WeakPolarHBondContact O-CG 3.35Å; E259-R263 PolarHBondContact O-N 2.92Å; E259-R263 IonicContact OE2-CZ 3.75Å; E259-R263 IonicContact OE2-NH1 3.92Å; E259-R263 IonicContact OE2-NH2 2.94Å; E259-R263 PolarHBondContact OE2-NH2 3.06Å; E260-R263 PolarHBondContact O-N 2.95Å; E260-R263 VanDerWaalsContact O-N 3.14Å; N261-R263 PolarHBondContact O-N 3.46Å
264Q90.8Very high83.2Confident78 Ų7849.3 Ų49.336%0.36425%0.252SS..Hα-helixtrans-105.3-12-163.7-59.3-62.1-0.100115.1K218 E220 E260 I266K218-Q264 PolarHBondContact NZ-O 3.35Å; E220-Q264 HydrophobicContact CG-CG 4.3Å; E220-Q264 WeakPolarHBondContact OE1-CG 3.48Å; E260-Q264 PolarHBondContact O-N 3.08Å; E260-Q264 WeakPolarHBondContact OE1-CG 3.41Å; Q264-I266 HydrophobicContact CB-CG2 3.65Å
265N89.3Confident82.3Confident72 Ų7250.4 Ų50.439%0.38526%0.258SS..  trans53.662.9-173.7-163.460000112K218 N261K218-N265 WeakPolarHBondContact CE-O 3.39Å; N261-N265 VanDerWaalsContact O-CA 3.31Å; N261-N265 WeakPolarHBondContact O-CA 3.41Å; N261-N265 PolarHBondContact O-N 3.06Å
266I91Very high81.7Confident0 Ų048.8 Ų48.80%025%0.252CS..  trans-92.6-6.7-173.252.4159.1000113.6D215 K218 E220 V221 W257 E260 N261 Q264D215-I266 PolarHBondContact N-O 3.26Å; K218-I266 HydrophobicContact CB-CG2 3.98Å; K218-I266 HydrophobicContact CG-CG2 4.05Å; E220-I266 HydrophobicContact CB-CG2 4.03Å; E220-I266 HydrophobicContact CG-CG2 4.43Å; V221-I266 HydrophobicContact CG2-CB 3.85Å; V221-I266 HydrophobicContact CG2-CG2 4.29Å; W257-I266 HydrophobicContact CE3-CD1 3.69Å; W257-I266 HydrophobicContact CZ3-CD1 3.75Å; E260-I266 HydrophobicContact CB-CD1 4.16Å; E260-I266 HydrophobicContact CG-CD1 3.98Å; N261-I266 HydrophobicContact CB-CG1 3.83Å; N261-I266 PolarHBondContact OD1-N 3.01Å; Q264-I266 HydrophobicContact CB-CG2 3.65Å
267Y89.7Confident81.5Confident12 Ų1241.6 Ų41.65%0.04723%0.226CC..BIsolated β-bridgetrans-93.3139.7177-56.8-19.3000111.4F213 L214 W257 N261 S269 P278 P279 I282F213-Y267 WeakPolarHBondContact O-CA 3.49Å; L214-Y267 HydrophobicContact CD2-CD1 4.04Å; L214-Y267 HydrophobicContact CD2-CE1 4.37Å; W257-Y267 WeakPolarHBondContact CB-OH 3.13Å; W257-Y267 PolarHBondContact O-OH 2.88Å; N261-Y267 HydrophobicContact CB-CD1 4.23Å; N261-Y267 HydrophobicContact CB-CD2 3.68Å; N261-Y267 HydrophobicContact CB-CE1 3.96Å; N261-Y267 HydrophobicContact CB-CE2 3.36Å; N261-Y267 HydrophobicContact CB-CG 4.08Å; N261-Y267 VanDerWaalsContact CG-CE2 3.45Å; N261-Y267 VanDerWaalsContact CG-CG 3.47Å; N261-Y267 WeakPolarHBondContact ND2-CD2 3.33Å; N261-Y267 WeakPolarHBondContact OD1-CD2 3.39Å; N261-Y267 VanDerWaalsContact OD1-CG 3.31Å; N261-Y267 PolarHBondContact OD1-N 3.05Å; Y267-S269 PolarHBondContact O-N 3.39Å; Y267-P278 HydrophobicContact CD1-CB 3.37Å; Y267-P278 HydrophobicContact CD1-CG 4.02Å; Y267-P278 HydrophobicContact CD2-CB 3.79Å; Y267-P278 HydrophobicContact CD2-CG 3.83Å; Y267-P278 HydrophobicContact CE1-CB 3.53Å; Y267-P278 HydrophobicContact CE2-CB 3.93Å; Y267-P278 HydrophobicContact CE2-CG 4.36Å; Y267-P278 HydrophobicContact CG-CB 3.54Å; Y267-P278 HydrophobicContact CG-CG 3.67Å; Y267-P279 HydrophobicContact CE2-CG 3.89Å; Y267-P279 WeakPolarHBondContact OH-CG 3.47Å; Y267-I282 HydrophobicContact CE1-CD1 3.99Å
268S75.6Confident81.4Confident25 Ų2540.1 Ų40.118%0.17522%0.221CC..  trans-85.285.2169.3-172.40000108.4F213 A270F213-S268 PolarHBondContact O-N 2.98Å; S268-A270 PolarHBondContact O-N 3.17Å
269S62.8Low81.5Confident45 Ų4540 Ų4032%0.31522%0.221SC..THydrogen-bonded Turntrans-73.9-9.2-179.353.60000113.8Y267Y267-S269 PolarHBondContact O-N 3.39Å
270A58.5Low81.6Confident88 Ų8837 Ų3773%0.72721%0.207SC*.THydrogen-bonded Turntrans-92.2-24.1-170.900000114.9S268S268-A270 PolarHBondContact O-N 3.17Å
271M56.1Low81.7Confident91 Ų9135.1 Ų35.145%0.44820%0.198SC..THydrogen-bonded Turntrans-109.5-32.9-164.8-57.4-167.3-43.600115.6Q207 M211Q207-M271 HydrophobicContact CG-CB 4.46Å; M211-M271 WeakPolarHBondContact O-CE 3.4Å
272A59.2Low82Confident8 Ų835 Ų357%0.06620%0.197CC..SBendtrans-122.3-1.7-175.800000114.6Q207 G212 F213Q207-A272 HydrophobicContact CB-CB 4.19Å; Q207-A272 WeakPolarHBondContact O-CB 3.36Å; G212-A272 VanDerWaalsContact O-CB 3.27Å; G212-A272 WeakPolarHBondContact O-CB 3.27Å; G212-A272 PolarHBondContact O-N 2.87Å; F213-A272 HydrophobicContact CD1-CB 3.82Å; F213-A272 HydrophobicContact CD2-CB 3.86Å; F213-A272 HydrophobicContact CE1-CB 3.53Å; F213-A272 HydrophobicContact CE2-CB 3.56Å; F213-A272 HydrophobicContact CG-CB 3.99Å; F213-A272 HydrophobicContact CZ-CB 3.4Å; F213-A272 VanDerWaalsContact CZ-CB 3.4Å
273G60.4Low82.4Confident16 Ų1631.9 Ų31.917%0.16518%0.184CC..  trans72.8169.6-178.800000114.6F213F213-G273 WeakPolarHBondContact CE1-O 3.47Å
274G69.6Low82.7Confident19 Ų1925 Ų2520%0.19616%0.158CC..  trans75.9105.3171.700000116.4L138 A276 T277 P278L138-G274 VanDerWaalsContact CD1-N 3.33Å; G274-A276 VanDerWaalsContact C-N 3.3Å; G274-A276 PolarHBondContact O-N 3.32Å; G274-T277 PolarHBondContact O-N 3.39Å; G274-P278 WeakPolarHBondContact O-CD 3.29Å
275V78Confident83Confident22 Ų2223 Ų2313%0.13315%0.148CC..THydrogen-bonded Turntrans-70.5-27.2174.1179.50000112.3L138 L139 F144L138-V275 HydrophobicContact CB-CB 4.48Å; L138-V275 HydrophobicContact CB-CG2 3.88Å; L138-V275 HydrophobicContact CD1-CG2 4.47Å; L139-V275 HydrophobicContact CD2-CB 4.23Å; L139-V275 HydrophobicContact CD2-CG1 4.02Å; L139-V275 HydrophobicContact CD2-CG2 3.83Å; F144-V275 HydrophobicContact CE1-CG1 4.31Å; F144-V275 HydrophobicContact CZ-CB 4.4Å; F144-V275 HydrophobicContact CZ-CG1 3.91Å
276A85.7Confident83.2Confident7 Ų725 Ų256%0.05816%0.159CC..THydrogen-bonded Turntrans-84.7-11.8179.100000114F144 F147 G274F144-A276 HydrophobicContact CD1-CB 4.28Å; F144-A276 HydrophobicContact CE1-CB 4.24Å; F147-A276 HydrophobicContact CE1-CB 4.19Å; F147-A276 VanDerWaalsContact CE1-O 3.29Å; F147-A276 WeakPolarHBondContact CE1-O 3.23Å; F147-A276 HydrophobicContact CZ-CB 3.86Å; F147-A276 WeakPolarHBondContact CZ-O 3.5Å; G274-A276 VanDerWaalsContact C-N 3.3Å; G274-A276 PolarHBondContact O-N 3.32Å
277T92.3Very high83.5Confident14 Ų1430.4 Ų30.49%0.08618%0.183CC..Hα-helixtrans-75.8-48.2-176.5-57.20000113.4F213 P235 G274 M280 L281F213-T277 HydrophobicContact CD1-CG2 3.9Å; F213-T277 HydrophobicContact CE1-CG2 3.67Å; F213-T277 HydrophobicContact CZ-CG2 4.3Å; P235-T277 HydrophobicContact CG-CG2 4.28Å; G274-T277 PolarHBondContact O-N 3.39Å; T277-M280 WeakPolarHBondContact O-CB 3.39Å; T277-M280 PolarHBondContact O-N 3.26Å; T277-L281 HydrophobicContact CG2-CD1 3.89Å; T277-L281 HydrophobicContact CG2-CD2 4.34Å; T277-L281 HydrophobicContact CG2-CG 3.87Å; T277-L281 PolarHBondContact O-N 3.48Å
278P94.3Very high83.9Confident3 Ų331.9 Ų31.92%0.01919%0.189CC..Hα-helixtrans-55.8-43.7-175.3-25.132.1000115.8F213 L214 Y267 G274 M280 L281 I282F213-P278 HydrophobicContact CB-CG 4.26Å; L214-P278 HydrophobicContact CD2-CB 3.93Å; Y267-P278 HydrophobicContact CD1-CB 3.37Å; Y267-P278 HydrophobicContact CD1-CG 4.02Å; Y267-P278 HydrophobicContact CD2-CB 3.79Å; Y267-P278 HydrophobicContact CD2-CG 3.83Å; Y267-P278 HydrophobicContact CE1-CB 3.53Å; Y267-P278 HydrophobicContact CE2-CB 3.93Å; Y267-P278 HydrophobicContact CE2-CG 4.36Å; Y267-P278 HydrophobicContact CG-CB 3.54Å; Y267-P278 HydrophobicContact CG-CG 3.67Å; G274-P278 WeakPolarHBondContact O-CD 3.29Å; P278-M280 VanDerWaalsContact C-N 3.27Å; P278-M280 PolarHBondContact O-N 3.39Å; P278-L281 PolarHBondContact O-N 2.91Å; P278-I282 VanDerWaalsContact O-CG1 3.3Å; P278-I282 WeakPolarHBondContact O-CG1 3.47Å; P278-I282 PolarHBondContact O-N 3.38Å
279P95.9Very high84.9Confident1 Ų131.2 Ų31.21%0.00618%0.183CC..Hα-helixtrans-56.9-41.4175.6-19.426.9000112.9F147 L254 W257 M258 Y267 I282 V283F147-P279 HydrophobicContact CE2-CB 4.15Å; F147-P279 HydrophobicContact CE2-CG 3.96Å; F147-P279 HydrophobicContact CZ-CB 3.97Å; F147-P279 HydrophobicContact CZ-CG 3.79Å; L254-P279 VanDerWaalsContact CD2-C 3.49Å; L254-P279 HydrophobicContact CD2-CB 3.9Å; L254-P279 WeakPolarHBondContact CD2-O 3.44Å; W257-P279 HydrophobicContact CB-CB 4.18Å; M258-P279 HydrophobicContact CG-CG 4.18Å; Y267-P279 HydrophobicContact CE2-CG 3.89Å; Y267-P279 WeakPolarHBondContact OH-CG 3.47Å; P279-I282 PolarHBondContact O-N 2.91Å; P279-V283 WeakPolarHBondContact O-CB 3.43Å; P279-V283 VanDerWaalsContact O-CG2 3.32Å; P279-V283 WeakPolarHBondContact O-CG2 3.5Å; P279-V283 PolarHBondContact O-N 2.99Å
280M97.6Very high86.6Confident0 Ų032.2 Ų32.20%020%0.195CC..Hα-helixtrans-65.5-46.6178.6-67.6-77.3-65.200110.6F147 F188 F233 P235 F238 W245 L254 T277 P278 I282 V283 F284F147-M280 HydrophobicContact CD1-CG 4.09Å; F147-M280 HydrophobicContact CD1-SD 3.87Å; F147-M280 HydrophobicContact CE1-CG 3.51Å; F147-M280 HydrophobicContact CE1-SD 3.95Å; F147-M280 HydrophobicContact CZ-CG 4.4Å; F188-M280 HydrophobicContact CE1-CE 3.57Å; F188-M280 HydrophobicContact CZ-CE 3.41Å; F188-M280 VanDerWaalsContact CZ-CE 3.41Å; F233-M280 HydrophobicContact CE2-CB 4.12Å; F233-M280 HydrophobicContact CZ-CB 4.23Å; F233-M280 WeakPolarHBondContact CZ-O 3.42Å; P235-M280 HydrophobicContact CB-CB 4.33Å; P235-M280 HydrophobicContact CB-CE 4.01Å; P235-M280 HydrophobicContact CB-CG 4.13Å; F238-M280 HydrophobicContact CZ-CE 4.42Å; W245-M280 HydrophobicContact CH2-CE 4.16Å; W245-M280 HydrophobicContact CH2-SD 4.21Å; L254-M280 HydrophobicContact CD1-SD 3.89Å; L254-M280 HydrophobicContact CD2-CG 4.18Å; L254-M280 HydrophobicContact CD2-SD 3.83Å; T277-M280 WeakPolarHBondContact O-CB 3.39Å; T277-M280 PolarHBondContact O-N 3.26Å; P278-M280 VanDerWaalsContact C-N 3.27Å; P278-M280 PolarHBondContact O-N 3.39Å; M280-I282 VanDerWaalsContact C-N 3.31Å; M280-I282 PolarHBondContact O-N 2.93Å; M280-V283 PolarHBondContact O-N 2.9Å; M280-F284 HydrophobicContact CE-CD2 4.02Å; M280-F284 HydrophobicContact CE-CE2 3.71Å; M280-F284 WeakPolarHBondContact O-CB 3.48Å; M280-F284 WeakPolarHBondContact O-CD2 3.31Å; M280-F284 PolarHBondContact O-N 2.99Å; M280-F284 HydrophobicContact SD-CD2 4.27Å; M280-F284 HydrophobicContact SD-CE2 3.88Å
281L96.9Very high88.3Confident0 Ų028.4 Ų28.40%016%0.162CC..Hα-helixtrans-55.6-46.9176.6-66.3-179000111.3Y210 F213 F233 T277 P278 H285Y210-L281 HydrophobicContact CD1-CB 4.36Å; Y210-L281 HydrophobicContact CE1-CB 3.71Å; Y210-L281 PolarHBondContact OH-O 2.8Å; F213-L281 HydrophobicContact CB-CD1 3.73Å; F213-L281 HydrophobicContact CD1-CD1 4.11Å; F213-L281 HydrophobicContact CD2-CD1 3.69Å; F213-L281 HydrophobicContact CE2-CD1 4.33Å; F213-L281 HydrophobicContact CG-CD1 3.56Å; F233-L281 HydrophobicContact CD1-CD2 3.66Å; F233-L281 HydrophobicContact CD2-CD2 4.15Å; F233-L281 HydrophobicContact CE1-CD2 3.65Å; F233-L281 HydrophobicContact CE2-CD2 4.13Å; F233-L281 HydrophobicContact CG-CD2 3.91Å; F233-L281 HydrophobicContact CZ-CD2 3.88Å; F233-L281 WeakPolarHBondContact O-CD2 3.49Å; T277-L281 HydrophobicContact CG2-CD1 3.89Å; T277-L281 HydrophobicContact CG2-CD2 4.34Å; T277-L281 HydrophobicContact CG2-CG 3.87Å; T277-L281 PolarHBondContact O-N 3.48Å; P278-L281 PolarHBondContact O-N 2.91Å; L281-H285 WeakPolarHBondContact O-CA 3.34Å; L281-H285 WeakPolarHBondContact O-CB 3.21Å; L281-H285 PolarHBondContact O-N 3.35Å
282I97.6Very high90.2Very high14 Ų1427.8 Ų27.87%0.07216%0.161CC..Hα-helixtrans-66.3-46.6-178.6-61164.1000111.4L214 L224 W257 Y267 P278 P279 M280L214-I282 HydrophobicContact CD1-CG1 4.17Å; L214-I282 HydrophobicContact CD2-CD1 3.83Å; L214-I282 HydrophobicContact CD2-CG1 4.05Å; L224-I282 HydrophobicContact CD1-CD1 4.09Å; L224-I282 HydrophobicContact CD1-CG1 3.95Å; L224-I282 HydrophobicContact CD1-CG2 3.86Å; L224-I282 HydrophobicContact CD2-CG2 3.77Å; L224-I282 HydrophobicContact CG-CG2 4.48Å; W257-I282 HydrophobicContact CD2-CB 4.43Å; W257-I282 HydrophobicContact CD2-CD1 3.84Å; W257-I282 HydrophobicContact CD2-CG2 3.89Å; W257-I282 HydrophobicContact CE3-CD1 3.72Å; W257-I282 HydrophobicContact CG-CD1 4.25Å; W257-I282 HydrophobicContact CG-CG2 4.33Å; W257-I282 HydrophobicContact CH2-CG2 4.25Å; W257-I282 HydrophobicContact CZ2-CG2 3.58Å; W257-I282 HydrophobicContact CZ3-CD1 4.19Å; Y267-I282 HydrophobicContact CE1-CD1 3.99Å; P278-I282 VanDerWaalsContact O-CG1 3.3Å; P278-I282 WeakPolarHBondContact O-CG1 3.47Å; P278-I282 PolarHBondContact O-N 3.38Å; P279-I282 PolarHBondContact O-N 2.91Å; M280-I282 VanDerWaalsContact C-N 3.31Å; M280-I282 PolarHBondContact O-N 2.93Å
283V98.3Very high91.8Very high8 Ų829 Ų295%0.04817%0.168CC..Hα-helixtrans-71-35.2-174.6173.40000112.3I250 Q253 L254 P279 M280I250-V283 HydrophobicContact CG2-CG1 3.89Å; Q253-V283 HydrophobicContact CB-CG1 4.07Å; Q253-V283 HydrophobicContact CB-CG2 3.75Å; L254-V283 HydrophobicContact CD2-CB 3.92Å; L254-V283 HydrophobicContact CD2-CG1 4.46Å; L254-V283 HydrophobicContact CD2-CG2 3.73Å; L254-V283 HydrophobicContact CG-CG2 4.2Å; P279-V283 WeakPolarHBondContact O-CB 3.43Å; P279-V283 VanDerWaalsContact O-CG2 3.32Å; P279-V283 WeakPolarHBondContact O-CG2 3.5Å; P279-V283 PolarHBondContact O-N 2.99Å; M280-V283 PolarHBondContact O-N 2.9Å
284F98Very high93.4Very high2 Ų230.6 Ų30.61%0.00917%0.172CC..Hα-helixtrans-97.43-178.8-71.4-80.2000114.1A185 A186 F188 F233 W245 I250 M280 D286 K287 Y288A185-F284 HydrophobicContact CB-CE1 4.33Å; A186-F284 HydrophobicContact CB-CD1 4.37Å; A186-F284 HydrophobicContact CB-CE1 3.76Å; A186-F284 HydrophobicContact CB-CZ 4.13Å; F188-F284 HydrophobicContact CE2-CB 4.14Å; F188-F284 AromaticContact CE2-CD1 3.86Å; F188-F284 HydrophobicContact CE2-CD1 3.86Å; F188-F284 HydrophobicContact CE2-CD2 4.03Å; F188-F284 HydrophobicContact CE2-CE1 4.23Å; F188-F284 HydrophobicContact CE2-CE2 4.39Å; F188-F284 AromaticContact CE2-CG 3.74Å; F188-F284 HydrophobicContact CE2-CG 3.74Å; F188-F284 HydrophobicContact CE2-CZ 4.48Å; F188-F284 HydrophobicContact CZ-CD2 4.1Å; F188-F284 HydrophobicContact CZ-CE2 4.15Å; F188-F284 HydrophobicContact CZ-CG 4.28Å; F188-F284 HydrophobicContact CZ-CZ 4.37Å; F233-F284 HydrophobicContact CE1-CB 4.03Å; F233-F284 HydrophobicContact CZ-CB 3.81Å; W245-F284 AromaticContact CE3-CZ 3.85Å; W245-F284 HydrophobicContact CE3-CZ 3.85Å; W245-F284 AromaticContact CH2-CE2 3.84Å; W245-F284 HydrophobicContact CH2-CE2 3.84Å; W245-F284 AromaticContact CH2-CZ 3.72Å; W245-F284 HydrophobicContact CH2-CZ 3.72Å; W245-F284 HydrophobicContact CZ2-CE2 4.49Å; W245-F284 HydrophobicContact CZ2-CZ 4.39Å; W245-F284 HydrophobicContact CZ3-CE1 4.43Å; W245-F284 HydrophobicContact CZ3-CE2 4.01Å; W245-F284 AromaticContact CZ3-CZ 3.42Å; W245-F284 HydrophobicContact CZ3-CZ 3.42Å; W245-F284 VanDerWaalsContact CZ3-CZ 3.42Å; I250-F284 HydrophobicContact CD1-CE1 3.77Å; I250-F284 HydrophobicContact CD1-CZ 3.72Å; I250-F284 HydrophobicContact CG2-CE2 3.88Å; I250-F284 HydrophobicContact CG2-CZ 3.7Å; M280-F284 HydrophobicContact CE-CD2 4.02Å; M280-F284 HydrophobicContact CE-CE2 3.71Å; M280-F284 WeakPolarHBondContact O-CB 3.48Å; M280-F284 WeakPolarHBondContact O-CD2 3.31Å; M280-F284 PolarHBondContact O-N 2.99Å; M280-F284 HydrophobicContact SD-CD2 4.27Å; M280-F284 HydrophobicContact SD-CE2 3.88Å; F284-D286 PolarHBondContact O-N 3.38Å; F284-D286 VanDerWaalsContact O-N 3.11Å; F284-K287 PolarHBondContact O-N 3.38Å; F284-Y288 WeakPolarHBondContact O-CD1 3.43Å
285H96.8Very high94.7Very high35 Ų3530.4 Ų30.416%0.16217%0.165CC..THydrogen-bonded Turntrans-51.4121.7176.3179.2-109000110.3Y210 I226 H230 L281 K287Y210-H285 HydrophobicContact CE1-CB 4.46Å; Y210-H285 AromaticContact CZ-CD2 3.8Å; Y210-H285 PolarHBondContact OH-CD2 3.11Å; I226-H285 HydrophobicContact CD1-CB 4Å; H230-H285 AromaticContact ND1-NE2 3.43Å; H230-H285 PolarHBondContact ND1-NE2 2.92Å; L281-H285 WeakPolarHBondContact O-CA 3.34Å; L281-H285 WeakPolarHBondContact O-CB 3.21Å; L281-H285 PolarHBondContact O-N 3.35Å; H285-K287 WeakPolarHBondContact O-CG 3.36Å; H285-K287 PolarHBondContact O-N 2.95Å; H285-K287 VanDerWaalsContact O-N 3.07Å
286D94Very high95.5Very high114 Ų11429.4 Ų29.461%0.6116%0.159SC*.THydrogen-bonded Turntrans53.917.7-173.5-58.9-19.9000116.6F284F284-D286 PolarHBondContact O-N 3.38Å; F284-D286 VanDerWaalsContact O-N 3.11Å
287K96.3Very high95.9Very high114 Ų11429 Ų2950%0.49616%0.157SC..  trans-127.632.6-175.1-65.6174.6-171.6170.30113.6F284 H285F284-K287 PolarHBondContact O-N 3.38Å; H285-K287 WeakPolarHBondContact O-CG 3.36Å; H285-K287 PolarHBondContact O-N 2.95Å; H285-K287 VanDerWaalsContact O-N 3.07Å
288Y97.6Very high95.8Very high44 Ų4428.5 Ų28.517%0.17315%0.153CC..SBendtrans-135.6156.2177.874.5-79.5000112H184 F188 F233 F284H184-Y288 VanDerWaalsContact CE1-C 3.43Å; H184-Y288 PolarHBondContact CE1-O 2.77Å; H184-Y288 PolarHBondContact ND1-O 3.18Å; F188-Y288 HydrophobicContact CB-CD2 3.88Å; F188-Y288 HydrophobicContact CB-CE2 4.13Å; F188-Y288 AromaticContact CD2-CD2 3.78Å; F188-Y288 HydrophobicContact CD2-CD2 3.78Å; F188-Y288 AromaticContact CD2-CG 3.8Å; F188-Y288 HydrophobicContact CD2-CG 3.8Å; F188-Y288 HydrophobicContact CG-CD2 4.34Å; F233-Y288 HydrophobicContact CD1-CD1 4.38Å; F233-Y288 AromaticContact CD1-CE1 3.99Å; F233-Y288 HydrophobicContact CD1-CE1 3.99Å; F233-Y288 HydrophobicContact CD1-CE2 4.49Å; F233-Y288 HydrophobicContact CE1-CD1 4.32Å; F233-Y288 HydrophobicContact CE1-CE1 4.29Å; F284-Y288 WeakPolarHBondContact O-CD1 3.43Å
289T98.1Very high95.5Very high10 Ų1028.6 Ų28.66%0.06115%0.153CC..EExtended strand (participates in β ladder)trans-87.2130173.9-56.10000108.7L180 K181 H184 A186 A187 F188 L291L180-T289 WeakPolarHBondContact CA-OG1 3.19Å; L180-T289 HydrophobicContact CD2-CG2 4.49Å; K181-T289 HydrophobicContact CG-CG2 4.33Å; K181-T289 PolarHBondContact N-OG1 3.46Å; H184-T289 PolarHBondContact ND1-N 3.46Å; H184-T289 VanDerWaalsContact ND1-N 3.18Å; H184-T289 PolarHBondContact ND1-OG1 2.84Å; A186-T289 PolarHBondContact O-N 2.7Å; A187-T289 CarbonylContact C-O 3.6Å; A187-T289 WeakPolarHBondContact CA-O 3.27Å; A187-T289 HydrophobicContact CB-CG2 4.47Å; A187-T289 VanDerWaalsContact CB-O 3.25Å; A187-T289 WeakPolarHBondContact CB-O 3.29Å; F188-T289 PolarHBondContact N-O 2.8Å; T289-L291 PolarHBondContact O-N 2.99Å
290A96.6Very high95.3Very high67 Ų6728.6 Ų28.655%0.55415%0.153SC*.EExtended strand (participates in β ladder)trans-68.5131.4175.200000110F188F188-A290 WeakPolarHBondContact O-CA 3.39Å
291L95.8Very high95Very high8 Ų828.6 Ų28.64%0.04215%0.153CC..PPolyproline II helixtrans-81.9155167.9-68.1178.2000110.2L175 I178 A187 F188 A189 T289L175-L291 HydrophobicContact CD1-CD1 4.25Å; L175-L291 HydrophobicContact CD1-CD2 4.01Å; I178-L291 HydrophobicContact CD1-CD2 3.44Å; I178-L291 VanDerWaalsContact CD1-CD2 3.44Å; I178-L291 HydrophobicContact CG2-CD2 4.21Å; A187-L291 HydrophobicContact CB-CD1 4.46Å; A187-L291 HydrophobicContact CB-CD2 3.44Å; A187-L291 VanDerWaalsContact CB-CD2 3.44Å; A187-L291 HydrophobicContact CB-CG 3.73Å; A187-L291 WeakPolarHBondContact O-CD1 3.38Å; F188-L291 PolarHBondContact O-N 3.18Å; A189-L291 HydrophobicContact CB-CB 4.12Å; T289-L291 PolarHBondContact O-N 2.99Å
292D94.5Very high94.5Very high78 Ų7831.9 Ų31.942%0.41717%0.165SC..PPolyproline II helixtrans-61.6129.2164.3179.8-28.8000108.7L294 W295D292-L294 PolarHBondContact O-N 3.11Å; D292-L294 VanDerWaalsContact O-N 3.15Å; D292-L294 WeakPolarHBondContact OD1-CB 3.46Å; D292-L294 PolarHBondContact OD1-N 3.01Å; D292-W295 WeakPolarHBondContact O-CB 3.49Å; D292-W295 PolarHBondContact O-N 3.21Å
293P92.8Very high94Very high33 Ų3332 Ų3221%0.21417%0.167CC..G310 helixtrans-58.2-24.5-178.921.5-33.5000114.9D193 L194 W295 H296 V297D193-P293 HydrophobicContact CB-CB 4.25Å; D193-P293 HydrophobicContact CB-CG 4.47Å; L194-P293 HydrophobicContact CD1-CB 4.31Å; L194-P293 HydrophobicContact CD2-CB 3.56Å; L194-P293 HydrophobicContact CD2-CG 4.21Å; L194-P293 HydrophobicContact CG-CB 3.6Å; P293-W295 PolarHBondContact O-N 3.22Å; P293-H296 CarbonylContact O-C 3.46Å; P293-H296 PolarHBondContact O-N 3.4Å; P293-V297 PolarHBondContact O-N 3.36Å
294L95.2Very high93.3Very high49 Ų4933 Ų3326%0.25718%0.175SC..G310 helixtrans-68.2-19.2177.1-64.6-178.9000113D292 H296 V297 F312 H317 L318D292-L294 PolarHBondContact O-N 3.11Å; D292-L294 VanDerWaalsContact O-N 3.15Å; D292-L294 WeakPolarHBondContact OD1-CB 3.46Å; D292-L294 PolarHBondContact OD1-N 3.01Å; L294-H296 PolarHBondContact O-N 3.09Å; L294-V297 HydrophobicContact CD2-CG2 4.45Å; L294-F312 HydrophobicContact CD2-CE2 4.09Å; L294-F312 HydrophobicContact CD2-CZ 4.23Å; L294-H317 PolarHBondContact O-N 2.94Å; L294-L318 PolarHBondContact O-N 3.44Å
295W96.9Very high92.6Very high15 Ų1539.1 Ų39.16%0.05721%0.207CC..G310 helixtrans-79.8-0.3170.5-81104.4000113.7V168 D171 D174 L175 D292 P293 H317 L318V168-W295 HydrophobicContact CG1-CZ3 4.4Å; D171-W295 WeakPolarHBondContact O-CH2 3.08Å; D174-W295 HydrophobicContact CB-CH2 4.29Å; D174-W295 HydrophobicContact CB-CZ2 3.63Å; L175-W295 HydrophobicContact CB-CD2 3.92Å; L175-W295 HydrophobicContact CB-CE3 3.71Å; L175-W295 HydrophobicContact CB-CH2 4.11Å; L175-W295 HydrophobicContact CB-CZ2 4.3Å; L175-W295 HydrophobicContact CB-CZ3 3.8Å; L175-W295 HydrophobicContact CD1-CB 4.21Å; L175-W295 HydrophobicContact CD1-CD2 4.15Å; L175-W295 HydrophobicContact CD1-CE3 4.33Å; L175-W295 HydrophobicContact CD1-CG 4.1Å; L175-W295 HydrophobicContact CD2-CE3 3.93Å; L175-W295 HydrophobicContact CD2-CZ3 4.39Å; L175-W295 HydrophobicContact CG-CD2 4.43Å; L175-W295 HydrophobicContact CG-CE3 4.19Å; D292-W295 WeakPolarHBondContact O-CB 3.49Å; D292-W295 PolarHBondContact O-N 3.21Å; P293-W295 PolarHBondContact O-N 3.22Å; W295-H317 AromaticContact CD1-CD2 3.97Å; W295-H317 HydrophobicContact CD2-CB 3.66Å; W295-H317 AromaticContact CE2-CD2 3.82Å; W295-H317 AromaticContact CE2-CG 3.87Å; W295-H317 HydrophobicContact CE3-CB 3.63Å; W295-H317 HydrophobicContact CG-CB 4.29Å; W295-H317 HydrophobicContact CH2-CB 3.83Å; W295-H317 HydrophobicContact CZ2-CB 3.87Å; W295-H317 AromaticContact CZ2-CG 3.91Å; W295-H317 HydrophobicContact CZ3-CB 3.73Å; W295-H317 AromaticContact NE1-CD2 3.66Å; W295-L318 HydrophobicContact CE3-CB 4.5Å; W295-L318 WeakPolarHBondContact O-CB 3.44Å
296H95.2Very high91.7Very high1 Ų138.5 Ų38.51%0.00521%0.208CC..G310 helixtrans-154.554.5177.4-152.5173.3000112.7A189 N234 V237 P293 L294 R298 H320A189-H296 HydrophobicContact CB-CB 3.52Å; N234-H296 PolarHBondContact OD1-CE1 2.85Å; N234-H296 VanDerWaalsContact OD1-CE1 3.31Å; V237-H296 VanDerWaalsContact CB-CE1 3.45Å; V237-H296 WeakPolarHBondContact CB-CE1 3.44Å; V237-H296 WeakPolarHBondContact CG2-NE2 3.44Å; V237-H296 PolarHBondContact N-CE1 2.99Å; P293-H296 CarbonylContact O-C 3.46Å; P293-H296 PolarHBondContact O-N 3.4Å; L294-H296 PolarHBondContact O-N 3.09Å; H296-R298 PolarHBondContact CD2-NH1 3.42Å; H296-R298 PolarHBondContact CE1-NH1 2.96Å; H296-R298 VanDerWaalsContact CE1-NH1 3.25Å; H296-R298 PolarHBondContact CE1-NH2 3.37Å; H296-R298 VanDerWaalsContact CE1-NH2 3.28Å; H296-R298 PolarHBondContact ND1-NH2 3.49Å; H296-R298 PolarHBondContact NE2-NH1 3.35Å; H296-R298 VanDerWaalsContact NE2-NH1 3.19Å; H296-R298 PolarHBondContact O-N 2.89Å; H296-H320 AromaticContact CD2-ND1 3.58Å; H296-H320 AromaticContact CE1-ND1 3.96Å; H296-H320 AromaticContact NE2-CE1 3.6Å; H296-H320 AromaticContact NE2-CG 3.81Å; H296-H320 AromaticContact NE2-ND1 2.89Å; H296-H320 PolarHBondContact NE2-ND1 2.99Å
297V94.3Very high91.1Very high0 Ų040.9 Ų40.90%021%0.209CC..BIsolated β-bridgetrans-66.4118.9173.7178.30000109.2L194 P293 L294 L300 Y308 F312 L313 A316 L318 L319 H320L194-V297 HydrophobicContact CD1-CG2 4.43Å; P293-V297 PolarHBondContact O-N 3.36Å; L294-V297 HydrophobicContact CD2-CG2 4.45Å; V297-L300 HydrophobicContact CG1-CD1 4.12Å; V297-Y308 HydrophobicContact CG1-CE2 4.38Å; V297-F312 HydrophobicContact CG1-CE1 3.72Å; V297-F312 HydrophobicContact CG1-CZ 4.47Å; V297-F312 HydrophobicContact CG2-CE1 4.03Å; V297-F312 HydrophobicContact CG2-CZ 4.07Å; V297-L313 HydrophobicContact CG1-CD2 4.26Å; V297-A316 HydrophobicContact CB-CB 4.14Å; V297-A316 HydrophobicContact CG2-CB 3.54Å; V297-L318 WeakPolarHBondContact CB-O 3.47Å; V297-L318 PolarHBondContact N-O 3.15Å; V297-L319 HydrophobicContact CB-CD2 4.13Å; V297-L319 HydrophobicContact CG1-CD2 4.27Å; V297-L319 CarbonylContact O-C 3.44Å; V297-L319 WeakPolarHBondContact O-CA 3.25Å; V297-H320 PolarHBondContact O-N 3.2Å
298R89.8Confident90.5Very high2 Ų236 Ų361%0.00819%0.187CC..  trans-127.2178.7-161.659.5167.378.7-821.6112.5A189 D191 N234 H296 L300 Y308 N322A189-R298 PolarHBondContact O-NH2 2.86Å; D191-R298 VanDerWaalsContact OD1-CD 3.24Å; D191-R298 WeakPolarHBondContact OD1-CD 3.44Å; D191-R298 IonicContact OD1-CZ 3.91Å; D191-R298 IonicContact OD1-NE 2.88Å; D191-R298 PolarHBondContact OD1-NE 3.26Å; D191-R298 VanDerWaalsContact OD1-NE 3.15Å; N234-R298 VanDerWaalsContact CG-NH1 3.27Å; N234-R298 PolarHBondContact OD1-NH1 2.88Å; H296-R298 PolarHBondContact CD2-NH1 3.42Å; H296-R298 PolarHBondContact CE1-NH1 2.96Å; H296-R298 VanDerWaalsContact CE1-NH1 3.25Å; H296-R298 PolarHBondContact CE1-NH2 3.37Å; H296-R298 VanDerWaalsContact CE1-NH2 3.28Å; H296-R298 PolarHBondContact ND1-NH2 3.49Å; H296-R298 PolarHBondContact NE2-NH1 3.35Å; H296-R298 VanDerWaalsContact NE2-NH1 3.19Å; H296-R298 PolarHBondContact O-N 2.89Å; R298-L300 VanDerWaalsContact C-N 3.25Å; R298-L300 PolarHBondContact O-N 3.28Å; R298-Y308 WeakPolarHBondContact O-CE2 3.31Å; R298-Y308 PolarHBondContact O-OH 3.27Å; R298-N322 WeakPolarHBondContact CB-OD1 3.41Å
299H88.1Confident90.1Very high5 Ų536.9 Ų36.92%0.02320%0.204CC..  trans71.112179.3-46.5-61.7000115.7M200 M206 G301 W302 N322M200-H299 HydrophobicContact SD-CB 4.35Å; M206-H299 HydrophobicContact CE-CB 4.48Å; M206-H299 WeakPolarHBondContact CE-CE1 3.37Å; M206-H299 VanDerWaalsContact CE-ND1 3.31Å; M206-H299 WeakPolarHBondContact CE-ND1 3.44Å; M206-H299 WeakPolarHBondContact CE-NE2 3.37Å; H299-G301 PolarHBondContact O-N 3Å; H299-G301 VanDerWaalsContact O-N 3.08Å; H299-W302 HydrophobicContact CB-CB 4.4Å; H299-W302 HydrophobicContact CB-CG 4.42Å; H299-W302 AromaticContact ND1-CD1 3.48Å; H299-W302 AromaticContact ND1-NE1 3.61Å; H299-W302 PolarHBondContact O-N 3.24Å; H299-W302 VanDerWaalsContact O-N 3.14Å; H299-N322 PolarHBondContact N-OD1 3.38Å; H299-N322 PolarHBondContact ND1-ND2 2.97Å
300L91.8Very high89.7Confident2 Ų243.2 Ų43.21%0.0123%0.232CC..THydrogen-bonded Turntrans-63.2-16.7174.7-72.276.2000112V297 R298 Y308 L319 H320 W321 V333V297-L300 HydrophobicContact CG1-CD1 4.12Å; R298-L300 VanDerWaalsContact C-N 3.25Å; R298-L300 PolarHBondContact O-N 3.28Å; L300-Y308 HydrophobicContact CD1-CD2 4.05Å; L300-Y308 HydrophobicContact CD1-CE2 3.74Å; L300-Y308 HydrophobicContact CG-CD2 4.15Å; L300-Y308 HydrophobicContact CG-CE2 4.16Å; L300-L319 HydrophobicContact CD2-CB 4.18Å; L300-H320 PolarHBondContact N-O 3.48Å; L300-W321 HydrophobicContact CB-CB 4.44Å; L300-W321 HydrophobicContact CB-CD2 3.9Å; L300-W321 HydrophobicContact CB-CG 3.72Å; L300-W321 HydrophobicContact CD2-CD2 4.03Å; L300-W321 HydrophobicContact CD2-CE3 4.35Å; L300-W321 HydrophobicContact CD2-CH2 3.87Å; L300-W321 HydrophobicContact CD2-CZ2 3.51Å; L300-W321 HydrophobicContact CD2-CZ3 4.27Å; L300-W321 VanDerWaalsContact O-CD1 3.32Å; L300-V333 WeakPolarHBondContact O-CG2 3.48Å
301G91.1Very high89.3Confident0 Ų044.4 Ų44.40%024%0.237CC..THydrogen-bonded Turntrans-102.38.3178.100000115.4H299 N322 G323 P324 F325H299-G301 PolarHBondContact O-N 3Å; H299-G301 VanDerWaalsContact O-N 3.08Å; G301-N322 CarbonylContact C-O 3.34Å; G301-N322 WeakPolarHBondContact CA-O 3.41Å; G301-N322 PolarHBondContact N-O 3.42Å; G301-G323 CarbonylContact O-C 3.21Å; G301-G323 VanDerWaalsContact O-CA 3.3Å; G301-G323 WeakPolarHBondContact O-CA 3.46Å; G301-P324 WeakPolarHBondContact O-CD 3.46Å; G301-P324 VanDerWaalsContact O-N 3.12Å; G301-F325 WeakPolarHBondContact CA-O 3.3Å; G301-F325 WeakPolarHBondContact O-CB 3.36Å; G301-F325 WeakPolarHBondContact O-CD2 3.44Å; G301-F325 PolarHBondContact O-N 3.32Å
302W86.7Confident89.1Confident68 Ų6846.6 Ų46.626%0.25825%0.246SC..SBendtrans-91.2-23.7-175.1-9088.1000114.8I204 M206 H299 N322I204-W302 HydrophobicContact CD1-CB 3.75Å; I204-W302 HydrophobicContact CD1-CD2 4.45Å; I204-W302 HydrophobicContact CD1-CE3 4.24Å; I204-W302 HydrophobicContact CD1-CG 4.29Å; M206-W302 HydrophobicContact CG-CH2 4.29Å; M206-W302 HydrophobicContact CG-CZ2 4.32Å; M206-W302 HydrophobicContact CG-CZ3 4.42Å; M206-W302 HydrophobicContact SD-CD2 3.54Å; M206-W302 VanDerWaalsContact SD-CD2 3.54Å; M206-W302 HydrophobicContact SD-CE3 4.06Å; M206-W302 HydrophobicContact SD-CG 3.91Å; M206-W302 HydrophobicContact SD-CH2 4.23Å; M206-W302 HydrophobicContact SD-CZ2 3.75Å; M206-W302 HydrophobicContact SD-CZ3 4.37Å; H299-W302 HydrophobicContact CB-CB 4.4Å; H299-W302 HydrophobicContact CB-CG 4.42Å; H299-W302 AromaticContact ND1-CD1 3.48Å; H299-W302 AromaticContact ND1-NE1 3.61Å; H299-W302 PolarHBondContact O-N 3.24Å; H299-W302 VanDerWaalsContact O-N 3.14Å; W302-N322 PolarHBondContact NE1-O 3.37Å
303S85.7Confident89.1Confident16 Ų1643 Ų4311%0.11223%0.227CC..  trans-141.4142.7177.2170.30000109.5D305 A306S303-D305 PolarHBondContact O-N 3.08Å; S303-D305 PolarHBondContact OG-N 3.43Å; S303-D305 VanDerWaalsContact OG-N 3.1Å; S303-A306 PolarHBondContact OG-N 3.33Å
304P85.3Confident89Confident31 Ų3148.8 Ų48.820%0.20125%0.251CS..SBendtrans-77.7-8.8173.333-32000112.7F325 P331 V333P304-F325 HydrophobicContact CB-CD1 4.01Å; P304-F325 HydrophobicContact CB-CE1 4.07Å; P304-F325 HydrophobicContact CB-CG 4.42Å; P304-F325 HydrophobicContact CG-CD1 4.32Å; P304-F325 HydrophobicContact CG-CE1 3.91Å; P304-F325 HydrophobicContact CG-CE2 4.43Å; P304-F325 HydrophobicContact CG-CZ 3.98Å; P304-P331 HydrophobicContact CB-CB 3.68Å; P304-P331 HydrophobicContact CB-CG 3.66Å; P304-P331 HydrophobicContact CG-CG 4.33Å; P304-V333 WeakPolarHBondContact O-CG1 3.41Å
305D81.6Confident89Confident129 Ų12948.4 Ų48.469%0.6926%0.259SS*.SBendtrans-115.3-32.2-173.5-54.8-55.5000112.5S303 R307S303-D305 PolarHBondContact O-N 3.08Å; S303-D305 PolarHBondContact OG-N 3.43Å; S303-D305 VanDerWaalsContact OG-N 3.1Å; D305-R307 PolarHBondContact O-N 2.92Å
306A77.8Confident88.9Confident23 Ų2347.9 Ų47.919%0.1926%0.258CS..  trans-74.3119-175.100000111.4M200 S303M200-A306 HydrophobicContact CE-CB 3.76Å; M200-A306 HydrophobicContact CG-CB 3.62Å; M200-A306 HydrophobicContact SD-CB 3.74Å; S303-A306 PolarHBondContact OG-N 3.33Å
307R81.4Confident89.1Confident164 Ų16450.8 Ų50.862%0.61927%0.271SS*.  trans-121134.9-174.5-68.6174.5-179.8-130.8-0.3111.1D305 V333D305-R307 PolarHBondContact O-N 2.92Å; R307-V333 HydrophobicContact CG-CB 4.14Å; R307-V333 HydrophobicContact CG-CG1 3.83Å
308Y85.4Confident89.3Confident12 Ų1250.8 Ų50.85%0.04727%0.271CS..  trans-68.3152157.3-66.3-73.5000111.4T197 M200 V297 R298 L300 F312 L313 H334T197-Y308 HydrophobicContact CG2-CE1 3.77Å; T197-Y308 WeakPolarHBondContact CG2-OH 3.35Å; M200-Y308 HydrophobicContact CE-CD2 4.36Å; M200-Y308 HydrophobicContact CE-CE1 4.19Å; M200-Y308 HydrophobicContact CE-CE2 3.96Å; V297-Y308 HydrophobicContact CG1-CE2 4.38Å; R298-Y308 WeakPolarHBondContact O-CE2 3.31Å; R298-Y308 PolarHBondContact O-OH 3.27Å; L300-Y308 HydrophobicContact CD1-CD2 4.05Å; L300-Y308 HydrophobicContact CD1-CE2 3.74Å; L300-Y308 HydrophobicContact CG-CD2 4.15Å; L300-Y308 HydrophobicContact CG-CE2 4.16Å; Y308-F312 AromaticContact CD1-CD1 3.9Å; Y308-F312 HydrophobicContact CD1-CD1 3.9Å; Y308-F312 AromaticContact CD1-CE1 3.99Å; Y308-F312 HydrophobicContact CD1-CE1 3.99Å; Y308-F312 HydrophobicContact CE1-CE1 4.37Å; Y308-F312 HydrophobicContact CG-CD1 4.2Å; Y308-F312 HydrophobicContact CG-CE1 4.48Å; Y308-L313 HydrophobicContact CD2-CD2 4.03Å; Y308-L313 HydrophobicContact CG-CD2 4.02Å; Y308-H334 PolarHBondContact N-NE2 2.76Å; Y308-H334 PolarHBondContact O-CE1 3.48Å
309A88Confident89.6Confident62 Ų6250.7 Ų50.751%0.51227%0.271SS..  trans-61.9137.5167.900000110.4S311 F312 L313A309-S311 VanDerWaalsContact C-N 3.27Å; A309-S311 PolarHBondContact O-N 3.44Å; A309-F312 HydrophobicContact CB-CB 4.45Å; A309-F312 WeakPolarHBondContact O-CB 3.32Å; A309-F312 PolarHBondContact O-N 3.38Å; A309-L313 PolarHBondContact O-N 2.96Å
310E88.8Confident90.1Very high142 Ų14250.5 Ų50.566%0.66427%0.27SS*.Hα-helixtrans-58.4-39.7-179.3-67.3179.2-174.800112.4F312 L313 Q314E310-F312 PolarHBondContact O-N 2.92Å; E310-L313 PolarHBondContact O-N 3.41Å; E310-L313 VanDerWaalsContact O-N 3.11Å; E310-Q314 WeakPolarHBondContact O-CG 3.16Å; E310-Q314 PolarHBondContact O-N 3.26Å
311S89.8Confident90.2Very high92 Ų9250.4 Ų50.464%0.64327%0.27SS*.Hα-helixtrans-60.4-32.6176.955.50000113A309A309-S311 VanDerWaalsContact C-N 3.27Å; A309-S311 PolarHBondContact O-N 3.44Å
312F91.6Very high90.2Very high54 Ų5451.1 Ų51.124%0.23727%0.273CS..Hα-helixtrans-72.3-42.9174.5176.4-101.8000111.2L194 L294 V297 Y308 A309 E310 Q314 G315 A316L194-F312 HydrophobicContact CD2-CE2 4.47Å; L194-F312 HydrophobicContact CD2-CZ 3.81Å; L294-F312 HydrophobicContact CD2-CE2 4.09Å; L294-F312 HydrophobicContact CD2-CZ 4.23Å; V297-F312 HydrophobicContact CG1-CE1 3.72Å; V297-F312 HydrophobicContact CG1-CZ 4.47Å; V297-F312 HydrophobicContact CG2-CE1 4.03Å; V297-F312 HydrophobicContact CG2-CZ 4.07Å; Y308-F312 AromaticContact CD1-CD1 3.9Å; Y308-F312 HydrophobicContact CD1-CD1 3.9Å; Y308-F312 AromaticContact CD1-CE1 3.99Å; Y308-F312 HydrophobicContact CD1-CE1 3.99Å; Y308-F312 HydrophobicContact CE1-CE1 4.37Å; Y308-F312 HydrophobicContact CG-CD1 4.2Å; Y308-F312 HydrophobicContact CG-CE1 4.48Å; A309-F312 HydrophobicContact CB-CB 4.45Å; A309-F312 WeakPolarHBondContact O-CB 3.32Å; A309-F312 PolarHBondContact O-N 3.38Å; E310-F312 PolarHBondContact O-N 2.92Å; F312-Q314 VanDerWaalsContact C-N 3.29Å; F312-Q314 PolarHBondContact O-N 3.41Å; F312-G315 PolarHBondContact O-N 2.96Å; F312-G315 VanDerWaalsContact O-N 3.1Å; F312-A316 PolarHBondContact O-N 2.94Å
313L93.1Very high90.3Very high4 Ų448.9 Ų48.92%0.02127%0.271CS..Hα-helixtrans-65.4-31.8179.1-63.1-179.7000112.7Q169 V297 Y308 A309 E310 G315 A316 L319 L337Q169-L313 PolarHBondContact NE2-O 2.89Å; V297-L313 HydrophobicContact CG1-CD2 4.26Å; Y308-L313 HydrophobicContact CD2-CD2 4.03Å; Y308-L313 HydrophobicContact CG-CD2 4.02Å; A309-L313 PolarHBondContact O-N 2.96Å; E310-L313 PolarHBondContact O-N 3.41Å; E310-L313 VanDerWaalsContact O-N 3.11Å; L313-G315 VanDerWaalsContact C-N 3.26Å; L313-G315 PolarHBondContact O-N 2.93Å; L313-A316 WeakPolarHBondContact O-CB 3.42Å; L313-A316 PolarHBondContact O-N 3.48Å; L313-L319 HydrophobicContact CD2-CD2 3.74Å; L313-L337 HydrophobicContact CB-CD1 4.31Å; L313-L337 HydrophobicContact CD1-CD1 3.7Å
314Q91.9Very high90.4Very high153 Ų15351.4 Ų51.472%0.71529%0.288SS*.Hα-helixtrans-63.6-30.9173-72.5172.67.500112.9E310 F312E310-Q314 WeakPolarHBondContact O-CG 3.16Å; E310-Q314 PolarHBondContact O-N 3.26Å; F312-Q314 VanDerWaalsContact C-N 3.29Å; F312-Q314 PolarHBondContact O-N 3.41Å
315G94Very high90.7Very high42 Ų4252.9 Ų52.943%0.43329%0.291SS..THydrogen-bonded Turntrans-85.8-7.2177.100000114.5F312 L313F312-G315 PolarHBondContact O-N 2.96Å; F312-G315 VanDerWaalsContact O-N 3.1Å; L313-G315 VanDerWaalsContact C-N 3.26Å; L313-G315 PolarHBondContact O-N 2.93Å
316A96.3Very high91.4Very high3 Ų348.1 Ų48.13%0.02526%0.264CS..  trans-80.1139.8-17900000111.5Q169 V297 F312 L313 L319Q169-A316 PolarHBondContact NE2-O 3.37Å; V297-A316 HydrophobicContact CB-CB 4.14Å; V297-A316 HydrophobicContact CG2-CB 3.54Å; F312-A316 PolarHBondContact O-N 2.94Å; L313-A316 WeakPolarHBondContact O-CB 3.42Å; L313-A316 PolarHBondContact O-N 3.48Å; A316-L319 HydrophobicContact CB-CD2 3.64Å
317H98Very high92.2Very high63 Ų6347 Ų4729%0.29226%0.255SS..SBendtrans-84.6-26175.5-57.8-56.9000112.6Q169 G170 L294 W295Q169-H317 PolarHBondContact N-O 3.23Å; G170-H317 PolarHBondContact N-O 3.14Å; L294-H317 PolarHBondContact O-N 2.94Å; W295-H317 AromaticContact CD1-CD2 3.97Å; W295-H317 HydrophobicContact CD2-CB 3.66Å; W295-H317 AromaticContact CE2-CD2 3.82Å; W295-H317 AromaticContact CE2-CG 3.87Å; W295-H317 HydrophobicContact CE3-CB 3.63Å; W295-H317 HydrophobicContact CG-CB 4.29Å; W295-H317 HydrophobicContact CH2-CB 3.83Å; W295-H317 HydrophobicContact CZ2-CB 3.87Å; W295-H317 AromaticContact CZ2-CG 3.91Å; W295-H317 HydrophobicContact CZ3-CB 3.73Å; W295-H317 AromaticContact NE1-CD2 3.66Å
318L98.3Very high92.9Very high0 Ų039.9 Ų39.90%023%0.228CC..EExtended strand (participates in β ladder)trans-148.6135.2178.8-175.1155.6000110.9V166 I167 V168 V237 L294 W295 V297 H320V166-L318 HydrophobicContact CB-CD2 4.06Å; V166-L318 HydrophobicContact CB-CG 4.4Å; V166-L318 HydrophobicContact CG1-CD2 4.14Å; I167-L318 WeakPolarHBondContact O-CA 3.38Å; V168-L318 HydrophobicContact CG2-CD1 3.88Å; V168-L318 HydrophobicContact CG2-CG 4.29Å; V237-L318 HydrophobicContact CG1-CD1 3.92Å; V237-L318 HydrophobicContact CG2-CD1 3.86Å; V237-L318 HydrophobicContact CG2-CD2 3.87Å; L294-L318 PolarHBondContact O-N 3.44Å; W295-L318 HydrophobicContact CE3-CB 4.5Å; W295-L318 WeakPolarHBondContact O-CB 3.44Å; V297-L318 WeakPolarHBondContact CB-O 3.47Å; V297-L318 PolarHBondContact N-O 3.15Å; L318-H320 HydrophobicContact CD2-CB 4.24Å
319L97.7Very high93.3Very high0 Ų042.6 Ų42.60%024%0.243CC..EExtended strand (participates in β ladder)trans-111.9135.6178.2-54.7-179.7000110V166 I167 V297 L300 L313 A316 W321 L337V166-L319 CarbonylContact C-O 3.5Å; V166-L319 WeakPolarHBondContact CA-O 3.49Å; V166-L319 WeakPolarHBondContact CB-O 3.06Å; I167-L319 HydrophobicContact CB-CB 4.49Å; I167-L319 PolarHBondContact N-O 3.04Å; I167-L319 PolarHBondContact O-N 2.76Å; V297-L319 HydrophobicContact CB-CD2 4.13Å; V297-L319 HydrophobicContact CG1-CD2 4.27Å; V297-L319 CarbonylContact O-C 3.44Å; V297-L319 WeakPolarHBondContact O-CA 3.25Å; L300-L319 HydrophobicContact CD2-CB 4.18Å; L313-L319 HydrophobicContact CD2-CD2 3.74Å; A316-L319 HydrophobicContact CB-CD2 3.64Å; L319-W321 HydrophobicContact CB-CE3 4.46Å; L319-W321 HydrophobicContact CB-CH2 3.96Å; L319-W321 HydrophobicContact CB-CZ3 3.64Å; L319-W321 HydrophobicContact CD1-CH2 4.02Å; L319-W321 HydrophobicContact CD1-CZ3 4.49Å; L319-L337 HydrophobicContact CD1-CB 4.31Å; L319-L337 HydrophobicContact CD1-CD1 3.6Å; L319-L337 HydrophobicContact CD1-CG 4.46Å
320H96.8Very high93.5Very high1 Ų143.5 Ų43.51%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-131.5117.7-176.4-173.9-171000111.6D165 V166 N234 H296 V297 L300 L318 N322D165-H320 IonicContact OD1-CD2 3.67Å; D165-H320 PolarHBondContact OD1-CD2 2.67Å; D165-H320 VanDerWaalsContact OD1-CD2 3.3Å; D165-H320 IonicContact OD1-NE2 2.69Å; D165-H320 PolarHBondContact OD1-NE2 3.4Å; D165-H320 IonicContact OD2-NE2 3.04Å; V166-H320 HydrophobicContact CG1-CB 4.01Å; N234-H320 PolarHBondContact OD1-CE1 3.14Å; H296-H320 AromaticContact CD2-ND1 3.58Å; H296-H320 AromaticContact CE1-ND1 3.96Å; H296-H320 AromaticContact NE2-CE1 3.6Å; H296-H320 AromaticContact NE2-CG 3.81Å; H296-H320 AromaticContact NE2-ND1 2.89Å; H296-H320 PolarHBondContact NE2-ND1 2.99Å; V297-H320 PolarHBondContact O-N 3.2Å; L300-H320 PolarHBondContact N-O 3.48Å; L318-H320 HydrophobicContact CD2-CB 4.24Å; H320-N322 PolarHBondContact CD2-N 2.86Å; H320-N322 PolarHBondContact O-N 2.81Å; H320-N322 VanDerWaalsContact O-N 3.15Å; H320-N322 PolarHBondContact O-OD1 2.95Å
321W95.6Very high93.6Very high0 Ų039.7 Ų39.70%023%0.227CC..  trans-86.747.4173.1-73.3-102.6000111.7D165 I167 L300 L319 G323 K326 P327 V333 H334 L337 W338D165-W321 PolarHBondContact O-N 3.45Å; I167-W321 HydrophobicContact CB-CZ3 4.09Å; I167-W321 HydrophobicContact CG1-CH2 4.27Å; I167-W321 HydrophobicContact CG1-CZ3 3.77Å; L300-W321 HydrophobicContact CB-CB 4.44Å; L300-W321 HydrophobicContact CB-CD2 3.9Å; L300-W321 HydrophobicContact CB-CG 3.72Å; L300-W321 HydrophobicContact CD2-CD2 4.03Å; L300-W321 HydrophobicContact CD2-CE3 4.35Å; L300-W321 HydrophobicContact CD2-CH2 3.87Å; L300-W321 HydrophobicContact CD2-CZ2 3.51Å; L300-W321 HydrophobicContact CD2-CZ3 4.27Å; L300-W321 VanDerWaalsContact O-CD1 3.32Å; L319-W321 HydrophobicContact CB-CE3 4.46Å; L319-W321 HydrophobicContact CB-CH2 3.96Å; L319-W321 HydrophobicContact CB-CZ3 3.64Å; L319-W321 HydrophobicContact CD1-CH2 4.02Å; L319-W321 HydrophobicContact CD1-CZ3 4.49Å; W321-G323 PolarHBondContact O-N 3.18Å; W321-K326 PolarHBondContact O-NZ 2.91Å; W321-P327 HydrophobicContact CB-CG 4.11Å; W321-P327 HydrophobicContact CD2-CB 4.07Å; W321-P327 HydrophobicContact CD2-CG 3.81Å; W321-P327 HydrophobicContact CE3-CG 4.25Å; W321-P327 HydrophobicContact CG-CB 4.11Å; W321-P327 HydrophobicContact CG-CG 3.74Å; W321-V333 PolarHBondContact NE1-O 3.19Å; W321-H334 HydrophobicContact CZ2-CB 4.04Å; W321-H334 WeakPolarHBondContact CZ2-O 3.45Å; W321-L337 HydrophobicContact CH2-CB 4.04Å; W321-L337 HydrophobicContact CZ2-CB 4.34Å; W321-W338 HydrophobicContact CE3-CE3 4.05Å; W321-W338 HydrophobicContact CE3-CZ3 4.42Å; W321-W338 HydrophobicContact CZ3-CE3 4.07Å
322N90.2Very high93.8Very high14 Ų1436.1 Ų36.18%0.07520%0.203CC..  trans-63.3131.9170.759.1-57.8000109.3R298 H299 G301 W302 H320R298-N322 WeakPolarHBondContact CB-OD1 3.41Å; H299-N322 PolarHBondContact N-OD1 3.38Å; H299-N322 PolarHBondContact ND1-ND2 2.97Å; G301-N322 CarbonylContact C-O 3.34Å; G301-N322 WeakPolarHBondContact CA-O 3.41Å; G301-N322 PolarHBondContact N-O 3.42Å; W302-N322 PolarHBondContact NE1-O 3.37Å; H320-N322 PolarHBondContact CD2-N 2.86Å; H320-N322 PolarHBondContact O-N 2.81Å; H320-N322 VanDerWaalsContact O-N 3.15Å; H320-N322 PolarHBondContact O-OD1 2.95Å
323G88.6Confident93.8Very high21 Ų2133.6 Ų33.622%0.21619%0.192CC..SBendtrans124.8179.6-174.200000112.5G301 W321 K326G301-G323 CarbonylContact O-C 3.21Å; G301-G323 VanDerWaalsContact O-CA 3.3Å; G301-G323 WeakPolarHBondContact O-CA 3.46Å; W321-G323 PolarHBondContact O-N 3.18Å; G323-K326 WeakPolarHBondContact O-CE 3.31Å; G323-K326 PolarHBondContact O-NZ 3.5Å
324P87.8Confident93.8Very high70 Ų7034 Ų3446%0.45519%0.194SC..SBendtrans-74.1-27.6-175.327.9-34.5000114.5G301 K326G301-P324 WeakPolarHBondContact O-CD 3.46Å; G301-P324 VanDerWaalsContact O-N 3.12Å; P324-K326 PolarHBondContact O-N 2.96Å
325F92.4Very high93.9Very high61 Ų6128.1 Ų28.127%0.26817%0.17SC..  trans-86.2103.7-177.7-59.7-79.9000109.9G301 P304 P331G301-F325 WeakPolarHBondContact CA-O 3.3Å; G301-F325 WeakPolarHBondContact O-CB 3.36Å; G301-F325 WeakPolarHBondContact O-CD2 3.44Å; G301-F325 PolarHBondContact O-N 3.32Å; P304-F325 HydrophobicContact CB-CD1 4.01Å; P304-F325 HydrophobicContact CB-CE1 4.07Å; P304-F325 HydrophobicContact CB-CG 4.42Å; P304-F325 HydrophobicContact CG-CD1 4.32Å; P304-F325 HydrophobicContact CG-CE1 3.91Å; P304-F325 HydrophobicContact CG-CE2 4.43Å; P304-F325 HydrophobicContact CG-CZ 3.98Å; F325-P331 HydrophobicContact CD1-CG 4.08Å; F325-P331 WeakPolarHBondContact CD1-O 3.3Å; F325-P331 HydrophobicContact CE1-CG 4.04Å
326K95.1Very high93.9Very high29 Ų2929.8 Ų29.813%0.12617%0.169CC..  trans-94.6143.4-176.3-60.6-56.2-177.9-171.20111.4D165 W321 G323 P324 W328 N329 A332D165-K326 IonicContact OD2-NZ 3.3Å; D165-K326 PolarHBondContact OD2-NZ 2.91Å; W321-K326 PolarHBondContact O-NZ 2.91Å; G323-K326 WeakPolarHBondContact O-CE 3.31Å; G323-K326 PolarHBondContact O-NZ 3.5Å; P324-K326 PolarHBondContact O-N 2.96Å; K326-W328 HydrophobicContact CB-CD2 3.77Å; K326-W328 VanDerWaalsContact CB-CE2 3.43Å; K326-W328 HydrophobicContact CB-CE3 4.23Å; K326-W328 HydrophobicContact CB-CG 4.3Å; K326-W328 HydrophobicContact CB-CH2 4.15Å; K326-W328 HydrophobicContact CB-CZ2 3.65Å; K326-W328 HydrophobicContact CB-CZ3 4.38Å; K326-W328 HydrophobicContact CD-CH2 3.96Å; K326-W328 HydrophobicContact CD-CZ2 3.89Å; K326-W328 HydrophobicContact CG-CH2 4.16Å; K326-W328 HydrophobicContact CG-CZ2 3.6Å; K326-W328 PolarHBondContact O-N 2.98Å; K326-W328 VanDerWaalsContact O-N 3.11Å; K326-N329 PolarHBondContact O-N 2.85Å; K326-A332 WeakPolarHBondContact O-CB 3.43Å
327P95.4Very high93.9Very high0 Ų030.4 Ų30.40%017%0.171CC..THydrogen-bonded Turntrans-68.5-14.6-173.526.2-33.2000113.9W321 W338 R354W321-P327 HydrophobicContact CB-CG 4.11Å; W321-P327 HydrophobicContact CD2-CB 4.07Å; W321-P327 HydrophobicContact CD2-CG 3.81Å; W321-P327 HydrophobicContact CE3-CG 4.25Å; W321-P327 HydrophobicContact CG-CB 4.11Å; W321-P327 HydrophobicContact CG-CG 3.74Å; P327-W338 HydrophobicContact CB-CB 3.61Å; P327-W338 HydrophobicContact CB-CD2 3.87Å; P327-W338 HydrophobicContact CB-CE3 4.12Å; P327-W338 HydrophobicContact CB-CG 3.64Å; P327-W338 HydrophobicContact CG-CB 4.12Å; P327-W338 HydrophobicContact CG-CD2 3.36Å; P327-W338 HydrophobicContact CG-CE3 3.31Å; P327-W338 HydrophobicContact CG-CG 3.72Å; P327-W338 HydrophobicContact CG-CH2 4.48Å; P327-W338 HydrophobicContact CG-CZ2 4.45Å; P327-W338 HydrophobicContact CG-CZ3 3.93Å; P327-R354 PolarHBondContact O-NH1 2.98Å; P327-R354 PolarHBondContact O-NH2 3.07Å
328W95.4Very high93.8Very high14 Ų1427.4 Ų27.45%0.05316%0.158CC..THydrogen-bonded Turntrans-89.5-5.8171.754.787.2000114.1R68 A71 D165 K326 W338 F350 L352 T353R68-W328 HydrophobicContact CG-CZ2 4.44Å; A71-W328 HydrophobicContact CB-CD2 4.39Å; A71-W328 HydrophobicContact CB-CE3 3.89Å; A71-W328 HydrophobicContact CB-CH2 3.6Å; A71-W328 HydrophobicContact CB-CZ2 4.16Å; A71-W328 HydrophobicContact CB-CZ3 3.48Å; A71-W328 VanDerWaalsContact CB-CZ3 3.48Å; D165-W328 HydrophobicContact CB-CH2 3.82Å; D165-W328 HydrophobicContact CB-CZ3 4.03Å; K326-W328 HydrophobicContact CB-CD2 3.77Å; K326-W328 VanDerWaalsContact CB-CE2 3.43Å; K326-W328 HydrophobicContact CB-CE3 4.23Å; K326-W328 HydrophobicContact CB-CG 4.3Å; K326-W328 HydrophobicContact CB-CH2 4.15Å; K326-W328 HydrophobicContact CB-CZ2 3.65Å; K326-W328 HydrophobicContact CB-CZ3 4.38Å; K326-W328 HydrophobicContact CD-CH2 3.96Å; K326-W328 HydrophobicContact CD-CZ2 3.89Å; K326-W328 HydrophobicContact CG-CH2 4.16Å; K326-W328 HydrophobicContact CG-CZ2 3.6Å; K326-W328 PolarHBondContact O-N 2.98Å; K326-W328 VanDerWaalsContact O-N 3.11Å; W328-W338 HydrophobicContact CE3-CD2 4.44Å; W328-W338 AromaticContact CE3-CE2 3.7Å; W328-W338 AromaticContact CE3-CH2 3.97Å; W328-W338 HydrophobicContact CE3-CH2 3.97Å; W328-W338 AromaticContact CE3-CZ2 3.4Å; W328-W338 HydrophobicContact CE3-CZ2 3.4Å; W328-W338 AromaticContact CZ3-CH2 3.52Å; W328-W338 HydrophobicContact CZ3-CH2 3.52Å; W328-W338 AromaticContact CZ3-CZ2 3.44Å; W328-W338 HydrophobicContact CZ3-CZ2 3.44Å; W328-W338 VanDerWaalsContact CZ3-CZ2 3.44Å; W328-W338 HydrophobicContact CZ3-CZ3 4.19Å; W328-F350 HydrophobicContact CB-CE1 3.99Å; W328-F350 HydrophobicContact CB-CZ 3.7Å; W328-F350 AromaticContact CD1-CE2 3.97Å; W328-F350 AromaticContact CD1-CZ 3.72Å; W328-F350 HydrophobicContact CD2-CE2 4.31Å; W328-F350 AromaticContact CD2-CZ 3.69Å; W328-F350 HydrophobicContact CD2-CZ 3.69Å; W328-F350 HydrophobicContact CE3-CZ 4.26Å; W328-F350 HydrophobicContact CG-CE1 4.22Å; W328-F350 HydrophobicContact CG-CE2 4.12Å; W328-F350 AromaticContact CG-CZ 3.43Å; W328-F350 HydrophobicContact CG-CZ 3.43Å; W328-F350 VanDerWaalsContact CG-CZ 3.43Å; W328-L352 HydrophobicContact CB-CD2 3.6Å; W328-T353 PolarHBondContact O-N 2.8Å
329N94.9Very high93.7Very high69 Ų6931.2 Ų31.237%0.36918%0.175SC..SBendtrans-107.6167.2175.6-68.3-18.1000110.7K326 A332K326-N329 PolarHBondContact O-N 2.85Å; N329-A332 WeakPolarHBondContact O-CB 3Å
330D90.9Very high93.7Very high81 Ų8138.8 Ų38.843%0.43320%0.204SC..SBendtrans-115.2134.9168.4-173.666.6000109T353 P355D330-T353 HydrophobicContact CB-CG2 4.24Å; D330-P355 VanDerWaalsContact OD1-CD 3.31Å; D330-P355 WeakPolarHBondContact OD1-CD 3.35Å; D330-P355 VanDerWaalsContact OD1-CG 3.24Å; D330-P355 WeakPolarHBondContact OD1-CG 3.39Å
331P92.8Very high93.8Very high63 Ų6340.8 Ų40.841%0.40921%0.212SC..SBendcis-79.8152-2.833.3-35.8000113.8P304 F325P304-P331 HydrophobicContact CB-CB 3.68Å; P304-P331 HydrophobicContact CB-CG 3.66Å; P304-P331 HydrophobicContact CG-CG 4.33Å; F325-P331 HydrophobicContact CD1-CG 4.08Å; F325-P331 WeakPolarHBondContact CD1-O 3.3Å; F325-P331 HydrophobicContact CE1-CG 4.04Å
332A92.3Very high93.9Very high17 Ų1742.7 Ų42.714%0.1422%0.22CC..  trans-152.1150.317200000112.2K326 N329K326-A332 WeakPolarHBondContact O-CB 3.43Å; N329-A332 WeakPolarHBondContact O-CB 3Å
333V91.4Very high94.3Very high1 Ų142.4 Ų42.41%0.00622%0.218CC..SBendtrans-90.9147.3171.2-63.20000111.3L300 P304 R307 W321 S335L300-V333 WeakPolarHBondContact O-CG2 3.48Å; P304-V333 WeakPolarHBondContact O-CG1 3.41Å; R307-V333 HydrophobicContact CG-CB 4.14Å; R307-V333 HydrophobicContact CG-CG1 3.83Å; W321-V333 PolarHBondContact NE1-O 3.19Å; V333-S335 PolarHBondContact O-N 3.42Å
334H93.4Very high94.7Very high13 Ų1346 Ų466%0.0624%0.238CC..SBendtrans55.833.1174.2-53.7-62000113.7Y308 W321 D336 L337Y308-H334 PolarHBondContact N-NE2 2.76Å; Y308-H334 PolarHBondContact O-CE1 3.48Å; W321-H334 HydrophobicContact CZ2-CB 4.04Å; W321-H334 WeakPolarHBondContact CZ2-O 3.45Å; H334-D336 WeakPolarHBondContact CA-OD1 3.22Å; H334-D336 PolarHBondContact O-N 3.22Å; H334-L337 HydrophobicContact CB-CD1 3.86Å; H334-L337 HydrophobicContact CB-CG 4.34Å; H334-L337 WeakPolarHBondContact O-CB 3.36Å; H334-L337 PolarHBondContact O-N 3.03Å; H334-L337 VanDerWaalsContact O-N 3.07Å
335S93.8Very high95.1Very high29 Ų2943.6 Ų43.620%0.20322%0.221CC..Hα-helixtrans-62.4-25.5-178.565.30000112.6V333 L337 W338 E339V333-S335 PolarHBondContact O-N 3.42Å; S335-L337 VanDerWaalsContact C-N 3.28Å; S335-L337 PolarHBondContact O-N 3.19Å; S335-W338 WeakPolarHBondContact O-CB 3.24Å; S335-W338 PolarHBondContact O-N 3.12Å; S335-W338 VanDerWaalsContact O-N 3.17Å; S335-E339 WeakPolarHBondContact O-CG 3.38Å; S335-E339 PolarHBondContact O-N 3.32Å; S335-E339 PolarHBondContact OG-OE1 2.97Å
336D94.3Very high95.2Very high76 Ų7643.7 Ų43.741%0.40623%0.228SC..Hα-helixtrans-61.9-32.5174.270.3-69.5000112.6H334 W338 R340H334-D336 WeakPolarHBondContact CA-OD1 3.22Å; H334-D336 PolarHBondContact O-N 3.22Å; D336-W338 VanDerWaalsContact C-N 3.32Å; D336-R340 WeakPolarHBondContact O-CG 3.42Å; D336-R340 PolarHBondContact O-NE 3.26Å; D336-R340 IonicContact OD2-CZ 3.67Å; D336-R340 IonicContact OD2-NH2 3.15Å; D336-R340 PolarHBondContact OD2-NH2 3.01Å
337L96.1Very high95.1Very high16 Ų1645.2 Ų45.28%0.08424%0.242CC..Hα-helixtrans-69.3-33.8176.1-65.1175000111.3L313 L319 W321 H334 S335 R340L313-L337 HydrophobicContact CB-CD1 4.31Å; L313-L337 HydrophobicContact CD1-CD1 3.7Å; L319-L337 HydrophobicContact CD1-CB 4.31Å; L319-L337 HydrophobicContact CD1-CD1 3.6Å; L319-L337 HydrophobicContact CD1-CG 4.46Å; W321-L337 HydrophobicContact CH2-CB 4.04Å; W321-L337 HydrophobicContact CZ2-CB 4.34Å; H334-L337 HydrophobicContact CB-CD1 3.86Å; H334-L337 HydrophobicContact CB-CG 4.34Å; H334-L337 WeakPolarHBondContact O-CB 3.36Å; H334-L337 PolarHBondContact O-N 3.03Å; H334-L337 VanDerWaalsContact O-N 3.07Å; S335-L337 VanDerWaalsContact C-N 3.28Å; S335-L337 PolarHBondContact O-N 3.19Å; L337-R340 VanDerWaalsContact CD2-NH2 3.29Å
338W97.3Very high95Very high0 Ų047.5 Ų47.50%027%0.266CS..Hα-helixtrans-74.7-44.8175.8-177.1-88.2000112.3A71 A74 D164 I167 W321 P327 W328 S335 D336 R340 W341 F342A71-W338 HydrophobicContact CB-CH2 4.1Å; A71-W338 HydrophobicContact CB-CZ2 3.76Å; A74-W338 HydrophobicContact CB-CH2 4.28Å; A74-W338 HydrophobicContact CB-CZ2 3.69Å; D164-W338 WeakPolarHBondContact O-CH2 2.91Å; I167-W338 HydrophobicContact CD1-CD2 4.16Å; I167-W338 HydrophobicContact CD1-CE3 3.65Å; I167-W338 HydrophobicContact CD1-CZ3 3.88Å; I167-W338 HydrophobicContact CG1-CD2 4.37Å; I167-W338 HydrophobicContact CG1-CE3 3.57Å; I167-W338 HydrophobicContact CG1-CZ3 3.98Å; W321-W338 HydrophobicContact CE3-CE3 4.05Å; W321-W338 HydrophobicContact CE3-CZ3 4.42Å; W321-W338 HydrophobicContact CZ3-CE3 4.07Å; P327-W338 HydrophobicContact CB-CB 3.61Å; P327-W338 HydrophobicContact CB-CD2 3.87Å; P327-W338 HydrophobicContact CB-CE3 4.12Å; P327-W338 HydrophobicContact CB-CG 3.64Å; P327-W338 HydrophobicContact CG-CB 4.12Å; P327-W338 HydrophobicContact CG-CD2 3.36Å; P327-W338 HydrophobicContact CG-CE3 3.31Å; P327-W338 HydrophobicContact CG-CG 3.72Å; P327-W338 HydrophobicContact CG-CH2 4.48Å; P327-W338 HydrophobicContact CG-CZ2 4.45Å; P327-W338 HydrophobicContact CG-CZ3 3.93Å; W328-W338 HydrophobicContact CE3-CD2 4.44Å; W328-W338 AromaticContact CE3-CE2 3.7Å; W328-W338 AromaticContact CE3-CH2 3.97Å; W328-W338 HydrophobicContact CE3-CH2 3.97Å; W328-W338 AromaticContact CE3-CZ2 3.4Å; W328-W338 HydrophobicContact CE3-CZ2 3.4Å; W328-W338 AromaticContact CZ3-CH2 3.52Å; W328-W338 HydrophobicContact CZ3-CH2 3.52Å; W328-W338 AromaticContact CZ3-CZ2 3.44Å; W328-W338 HydrophobicContact CZ3-CZ2 3.44Å; W328-W338 VanDerWaalsContact CZ3-CZ2 3.44Å; W328-W338 HydrophobicContact CZ3-CZ3 4.19Å; S335-W338 WeakPolarHBondContact O-CB 3.24Å; S335-W338 PolarHBondContact O-N 3.12Å; S335-W338 VanDerWaalsContact O-N 3.17Å; D336-W338 VanDerWaalsContact C-N 3.32Å; W338-R340 PolarHBondContact O-N 3.44Å; W338-W341 PolarHBondContact O-N 2.95Å; W338-F342 PolarHBondContact O-N 2.89Å
339E96.6Very high94.8Very high80 Ų8054.6 Ų54.637%0.37429%0.293SS..Hα-helixtrans-57.2-33.4-175.9-81.1170.2-135.700113.6S335 W341 F342 L352 R354S335-E339 WeakPolarHBondContact O-CG 3.38Å; S335-E339 PolarHBondContact O-N 3.32Å; S335-E339 PolarHBondContact OG-OE1 2.97Å; E339-W341 PolarHBondContact O-N 3.35Å; E339-W341 VanDerWaalsContact O-N 3.13Å; E339-F342 PolarHBondContact O-N 3.32Å; E339-L352 HydrophobicContact CG-CD1 3.71Å; E339-R354 IonicContact OE1-CZ 2.74Å; E339-R354 IonicContact OE1-NE 2.98Å; E339-R354 PolarHBondContact OE1-NE 3.04Å; E339-R354 IonicContact OE1-NH2 3.31Å; E339-R354 PolarHBondContact OE1-NH2 3.33Å
340R96.9Very high94.8Very high159 Ų15952 Ų5260%0.628%0.278SS*.THydrogen-bonded Turntrans-55.7-30.1174.7-67.5170.9-144.9-162.63.1113.1D336 L337 W338D336-R340 WeakPolarHBondContact O-CG 3.42Å; D336-R340 PolarHBondContact O-NE 3.26Å; D336-R340 IonicContact OD2-CZ 3.67Å; D336-R340 IonicContact OD2-NH2 3.15Å; D336-R340 PolarHBondContact OD2-NH2 3.01Å; L337-R340 VanDerWaalsContact CD2-NH2 3.29Å; W338-R340 PolarHBondContact O-N 3.44Å
341W98.2Very high95Very high44 Ų4452.2 Ų52.217%0.16728%0.283CS..THydrogen-bonded Turntrans-105.6-10.1-175.7-53.6108.2000113A74 N77 N82 I167 W338 E339 I343A74-W341 WeakPolarHBondContact CA-O 3.5Å; N77-W341 PolarHBondContact ND2-O 2.85Å; N82-W341 WeakPolarHBondContact ND2-CH2 2.73Å; N82-W341 VanDerWaalsContact ND2-CZ2 3.3Å; N82-W341 WeakPolarHBondContact ND2-CZ2 3.37Å; I167-W341 HydrophobicContact CD1-CB 3.83Å; I167-W341 HydrophobicContact CD1-CG 3.95Å; I167-W341 HydrophobicContact CG2-CG 4.32Å; I167-W341 VanDerWaalsContact CG2-NE1 3.33Å; W338-W341 PolarHBondContact O-N 2.95Å; E339-W341 PolarHBondContact O-N 3.35Å; E339-W341 VanDerWaalsContact O-N 3.13Å; W341-I343 PolarHBondContact O-N 3.33Å
342F98.1Very high95.1Very high39 Ų3951.2 Ų51.217%0.17127%0.273CS..  trans-62.8136.6178.3-179.5-115.2000111.1W338 E339 P344 F350 L352W338-F342 PolarHBondContact O-N 2.89Å; E339-F342 PolarHBondContact O-N 3.32Å; F342-P344 HydrophobicContact CE1-CG 4.5Å; F342-F350 HydrophobicContact CD2-CE1 4.31Å; F342-F350 AromaticContact CE2-CD1 3.61Å; F342-F350 HydrophobicContact CE2-CD1 3.61Å; F342-F350 AromaticContact CE2-CE1 3.66Å; F342-F350 HydrophobicContact CE2-CE1 3.66Å; F342-F350 HydrophobicContact CZ-CD1 4.16Å; F342-F350 HydrophobicContact CZ-CE1 4.48Å; F342-L352 HydrophobicContact CB-CD1 4.23Å; F342-L352 HydrophobicContact CD1-CD1 3.48Å; F342-L352 VanDerWaalsContact CD1-CD1 3.48Å; F342-L352 HydrophobicContact CD1-CD2 4.16Å; F342-L352 HydrophobicContact CD1-CG 3.73Å; F342-L352 HydrophobicContact CD2-CD2 3.87Å; F342-L352 HydrophobicContact CD2-CG 4.33Å; F342-L352 HydrophobicContact CE1-CD1 3.94Å; F342-L352 HydrophobicContact CE1-CD2 4.26Å; F342-L352 HydrophobicContact CE1-CG 3.7Å; F342-L352 HydrophobicContact CE2-CD2 4.01Å; F342-L352 HydrophobicContact CE2-CG 4.33Å; F342-L352 HydrophobicContact CG-CD1 3.84Å; F342-L352 HydrophobicContact CG-CD2 3.95Å; F342-L352 HydrophobicContact CG-CG 4.04Å; F342-L352 HydrophobicContact CZ-CD2 4.19Å; F342-L352 HydrophobicContact CZ-CG 4.01Å
343I97.9Very high95Very high8 Ų853.5 Ų53.54%0.04129%0.286CS..  trans-113.3129.1172.2-59-178.1000105.7N77 Y104 T108 K109 L110 W341 D345N77-I343 HydrophobicContact CB-CD1 3.79Å; N77-I343 HydrophobicContact CB-CG1 4.27Å; Y104-I343 HydrophobicContact CE2-CB 4.39Å; Y104-I343 HydrophobicContact CE2-CG2 4.11Å; Y104-I343 PolarHBondContact OH-O 3.05Å; T108-I343 HydrophobicContact CG2-CG2 3.59Å; K109-I343 HydrophobicContact CD-CD1 4.31Å; K109-I343 HydrophobicContact CG-CD1 3.8Å; K109-I343 HydrophobicContact CG-CG1 4.48Å; L110-I343 HydrophobicContact CD1-CD1 3.84Å; L110-I343 HydrophobicContact CD2-CD1 3.79Å; L110-I343 HydrophobicContact CG-CD1 3.55Å; W341-I343 PolarHBondContact O-N 3.33Å; I343-D345 PolarHBondContact O-N 3.48Å
344P97.1Very high94.9Very high97 Ų9755.8 Ų55.863%0.6329%0.294SS*.  trans-59.6133.9175.7-26.335.6000112F342 P346F342-P344 HydrophobicContact CE1-CG 4.5Å; P344-P346 VanDerWaalsContact O-CD 3.28Å; P344-P346 WeakPolarHBondContact O-CD 3.35Å
345D96.3Very high94.1Very high19 Ų1959.7 Ų59.710%0.10232%0.321CS..  trans-69.9117.6177.1-179-8.6000110.5Y104 I343 S347 G348 R349 F350Y104-D345 HydrophobicContact CD1-CB 4.44Å; Y104-D345 HydrophobicContact CE1-CB 3.54Å; Y104-D345 VanDerWaalsContact CE1-CG 3.46Å; Y104-D345 VanDerWaalsContact OH-CA 3.26Å; Y104-D345 WeakPolarHBondContact OH-CA 3.42Å; Y104-D345 PolarHBondContact OH-N 3.36Å; I343-D345 PolarHBondContact O-N 3.48Å; D345-S347 PolarHBondContact O-N 3.06Å; D345-S347 WeakPolarHBondContact OD1-CB 3.37Å; D345-S347 PolarHBondContact OD1-N 3.47Å; D345-S347 PolarHBondContact OD1-OG 3.02Å; D345-S347 PolarHBondContact OD2-OG 3.27Å; D345-S347 VanDerWaalsContact OD2-OG 3.05Å; D345-G348 PolarHBondContact O-N 3.44Å; D345-R349 PolarHBondContact OD2-N 3.46Å; D345-F350 HydrophobicContact CB-CB 4.13Å; D345-F350 WeakPolarHBondContact CB-O 3.47Å; D345-F350 PolarHBondContact OD2-N 3.43Å
346P94.9Very high92.7Very high63 Ų6361.8 Ų61.841%0.40935%0.347SS..THydrogen-bonded Turntrans-59.2-19.6178.7-23.734.4000114.3Y104 K107 T108 P344Y104-P346 HydrophobicContact CD2-CG 4.42Å; K107-P346 HydrophobicContact CB-CB 4.02Å; K107-P346 HydrophobicContact CB-CG 3.78Å; K107-P346 HydrophobicContact CD-CB 4.14Å; T108-P346 HydrophobicContact CG2-CG 3.52Å; P344-P346 VanDerWaalsContact O-CD 3.28Å; P344-P346 WeakPolarHBondContact O-CD 3.35Å
347S92.9Very high90.9Very high62 Ų6262.6 Ų62.643%0.43436%0.359SS..THydrogen-bonded Turntrans-93.9-11.517774.30000114D345 R349D345-S347 PolarHBondContact O-N 3.06Å; D345-S347 WeakPolarHBondContact OD1-CB 3.37Å; D345-S347 PolarHBondContact OD1-N 3.47Å; D345-S347 PolarHBondContact OD1-OG 3.02Å; D345-S347 PolarHBondContact OD2-OG 3.27Å; D345-S347 VanDerWaalsContact OD2-OG 3.05Å; S347-R349 PolarHBondContact O-N 2.99Å; S347-R349 WeakPolarHBondContact OG-CG 3.48Å
348G92.8Very high88.7Confident48 Ų4865.5 Ų65.550%0.49539%0.392SS..SBendtrans69.410.3-176.300000115.2D345D345-G348 PolarHBondContact O-N 3.44Å
349R91.6Very high85.7Confident162 Ų16274.3 Ų74.361%0.61145%0.454SS*.SBendtrans-74.4-35.6179.7-65.5176.5-161.5-129.2-3.9112.2E66 D345 S347E66-R349 IonicContact OE1-NH1 2.7Å; E66-R349 PolarHBondContact OE1-NH1 3.04Å; D345-R349 PolarHBondContact OD2-N 3.46Å; S347-R349 PolarHBondContact O-N 2.99Å; S347-R349 WeakPolarHBondContact OG-CG 3.48Å
350F94.8Very high85.2Confident14 Ų1474 Ų746%0.06146%0.458CS..SBendtrans-108.2116.7176.9-169.4-81.9000110.6E67 A71 W328 F342 D345 L352E67-F350 WeakPolarHBondContact O-CD2 3.39Å; A71-F350 HydrophobicContact CB-CE2 4.25Å; A71-F350 HydrophobicContact CB-CZ 3.95Å; W328-F350 HydrophobicContact CB-CE1 3.99Å; W328-F350 HydrophobicContact CB-CZ 3.7Å; W328-F350 AromaticContact CD1-CE2 3.97Å; W328-F350 AromaticContact CD1-CZ 3.72Å; W328-F350 HydrophobicContact CD2-CE2 4.31Å; W328-F350 AromaticContact CD2-CZ 3.69Å; W328-F350 HydrophobicContact CD2-CZ 3.69Å; W328-F350 HydrophobicContact CE3-CZ 4.26Å; W328-F350 HydrophobicContact CG-CE1 4.22Å; W328-F350 HydrophobicContact CG-CE2 4.12Å; W328-F350 AromaticContact CG-CZ 3.43Å; W328-F350 HydrophobicContact CG-CZ 3.43Å; W328-F350 VanDerWaalsContact CG-CZ 3.43Å; F342-F350 HydrophobicContact CD2-CE1 4.31Å; F342-F350 AromaticContact CE2-CD1 3.61Å; F342-F350 HydrophobicContact CE2-CD1 3.61Å; F342-F350 AromaticContact CE2-CE1 3.66Å; F342-F350 HydrophobicContact CE2-CE1 3.66Å; F342-F350 HydrophobicContact CZ-CD1 4.16Å; F342-F350 HydrophobicContact CZ-CE1 4.48Å; D345-F350 HydrophobicContact CB-CB 4.13Å; D345-F350 WeakPolarHBondContact CB-O 3.47Å; D345-F350 PolarHBondContact OD2-N 3.43Å; F350-L352 HydrophobicContact CE1-CD2 4.44Å
351T94.6Very high84.6Confident87 Ų8769.5 Ų69.553%0.53445%0.45SS..  trans-129.4157.617958.10000110.6
352L95Very high83.8Confident41 Ų4170.9 Ų70.922%0.21547%0.466CS..  trans-84.7130.8171.8-55.1-178.1000109W328 E339 F342 F350W328-L352 HydrophobicContact CB-CD2 3.6Å; E339-L352 HydrophobicContact CG-CD1 3.71Å; F342-L352 HydrophobicContact CB-CD1 4.23Å; F342-L352 HydrophobicContact CD1-CD1 3.48Å; F342-L352 VanDerWaalsContact CD1-CD1 3.48Å; F342-L352 HydrophobicContact CD1-CD2 4.16Å; F342-L352 HydrophobicContact CD1-CG 3.73Å; F342-L352 HydrophobicContact CD2-CD2 3.87Å; F342-L352 HydrophobicContact CD2-CG 4.33Å; F342-L352 HydrophobicContact CE1-CD1 3.94Å; F342-L352 HydrophobicContact CE1-CD2 4.26Å; F342-L352 HydrophobicContact CE1-CG 3.7Å; F342-L352 HydrophobicContact CE2-CD2 4.01Å; F342-L352 HydrophobicContact CE2-CG 4.33Å; F342-L352 HydrophobicContact CG-CD1 3.84Å; F342-L352 HydrophobicContact CG-CD2 3.95Å; F342-L352 HydrophobicContact CG-CG 4.04Å; F342-L352 HydrophobicContact CZ-CD2 4.19Å; F342-L352 HydrophobicContact CZ-CG 4.01Å; F350-L352 HydrophobicContact CE1-CD2 4.44Å
353T91.9Very high83Confident65 Ų6572.8 Ų72.840%0.39948%0.484SS..  trans-95.3127.9172.8-54.70000109.3W328 D330W328-T353 PolarHBondContact O-N 2.8Å; D330-T353 HydrophobicContact CB-CG2 4.24Å
354R88.6Confident82Confident49 Ų4976.9 Ų76.919%0.18551%0.511CS..  trans-135.8151.9-179.6-62.3-63.5175.8-110.39.5111.8P327 E339 G356 S357P327-R354 PolarHBondContact O-NH1 2.98Å; P327-R354 PolarHBondContact O-NH2 3.07Å; E339-R354 IonicContact OE1-CZ 2.74Å; E339-R354 IonicContact OE1-NE 2.98Å; E339-R354 PolarHBondContact OE1-NE 3.04Å; E339-R354 IonicContact OE1-NH2 3.31Å; E339-R354 PolarHBondContact OE1-NH2 3.33Å; R354-G356 PolarHBondContact O-N 3.31Å; R354-S357 PolarHBondContact O-N 2.98Å; R354-S357 PolarHBondContact O-OG 3.27Å; R354-S357 VanDerWaalsContact O-OG 3.1Å
355P77.1Confident81Confident96 Ų9675.5 Ų75.562%0.62350%0.503SS*.THydrogen-bonded Turntrans-56.2124.6171.5-21.431.8000110.4D330D330-P355 VanDerWaalsContact OD1-CD 3.31Å; D330-P355 WeakPolarHBondContact OD1-CD 3.35Å; D330-P355 VanDerWaalsContact OD1-CG 3.24Å; D330-P355 WeakPolarHBondContact OD1-CG 3.39Å
356G63.6Low80Confident73 Ų7379.6 Ų79.675%0.75353%0.532SS*.THydrogen-bonded Turntrans88.65.6176.300000116.6R354 G358R354-G356 PolarHBondContact O-N 3.31Å; G356-G358 PolarHBondContact O-N 3.47Å
357S56.5Low78.8Confident92 Ų9280.8 Ų80.864%0.64354%0.542SS*.  trans-7911.7175.8670000114.7R354R354-S357 PolarHBondContact O-N 2.98Å; R354-S357 PolarHBondContact O-OG 3.27Å; R354-S357 VanDerWaalsContact O-OG 3.1Å
358G50.3Low77.6Confident77 Ų7782.4 Ų82.479%0.79455%0.551SS**  trans-125.593.2171.100000109.4G356G356-G358 PolarHBondContact O-N 3.47Å
359S34.9Very low76.2Confident185 Ų18585.5 Ų85.5100%1.29456%0.556SS**  trans-127.40166.162.30000109

Retrieved 359 of 359 residues in 500.9 ms (Link to these results)

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