A0A087YK68_POEFO Loading...

Phosphatidylinositol glycan anchor biosynthesis, class S

AlphaFold DB , UniProt , Accession A0A087YK68, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 567 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
1K48.1Very low53.2Low270 Ų270110.1 Ų110.1100%1.17460%0.602SS**  019.70-83.1-178.6174.2178.30114.4
2G49.7Very low54.1Low54 Ų54109.8 Ų109.856%0.55759%0.593SS**  trans-113.8-1.6-175.200000117.7P5G2-P5 WeakPolarHBondContact O-CD 3.43Å; G2-P5 WeakPolarHBondContact O-CG 3.22Å
3L52.3Low54.9Low142 Ų142112.5 Ų112.574%0.74359%0.59SS**Hα-helixtrans-85.2-29.1-171-104.9140.9000114.8L7L3-L7 PolarHBondContact O-N 3.29Å
4L49.8Very low55.8Low146 Ų146117.3 Ų117.376%0.76460%0.596SS**Hα-helixtrans-66.3-44.2176.5-89.1147.4000114.1A6 V8L4-A6 VanDerWaalsContact C-N 3.33Å; L4-A6 PolarHBondContact O-N 3.12Å; L4-V8 WeakPolarHBondContact O-CG2 3.5Å; L4-V8 PolarHBondContact O-N 3.02Å
5P52.3Low56.8Low67 Ų67121.5 Ų121.544%0.43560%0.602SS.*Hα-helixtrans-64.8-37.5176.922.1-31000111.9G2 L7 V8 F9G2-P5 WeakPolarHBondContact O-CD 3.43Å; G2-P5 WeakPolarHBondContact O-CG 3.22Å; P5-L7 PolarHBondContact O-N 2.89Å; P5-V8 PolarHBondContact O-N 3.26Å; P5-F9 HydrophobicContact CB-CD2 4.46Å; P5-F9 WeakPolarHBondContact O-CB 3.31Å; P5-F9 VanDerWaalsContact O-CD2 3.24Å; P5-F9 WeakPolarHBondContact O-CD2 3.4Å; P5-F9 PolarHBondContact O-N 3.29Å
6A54Low57.8Low49 Ų49116.6 Ų116.641%0.40559%0.592SS.*Hα-helixtrans-63.6-38.5-177.600000113.8L4 L10L4-A6 VanDerWaalsContact C-N 3.33Å; L4-A6 PolarHBondContact O-N 3.12Å; A6-L10 WeakPolarHBondContact O-CB 3.27Å; A6-L10 VanDerWaalsContact O-CG 3.32Å; A6-L10 WeakPolarHBondContact O-CG 3.28Å; A6-L10 PolarHBondContact O-N 3.04Å
7L52.1Low58.7Low116 Ų116112.5 Ų112.561%0.60757%0.57SS**Hα-helixtrans-70.4-37.7176.2-86.9157.5000112.4L3 P5 L10 S11L3-L7 PolarHBondContact O-N 3.29Å; P5-L7 PolarHBondContact O-N 2.89Å; L7-L10 PolarHBondContact O-N 3.31Å; L7-S11 PolarHBondContact O-N 3.45Å; L7-S11 VanDerWaalsContact O-N 3.07Å
8V55.7Low59.6Low71 Ų71112.7 Ų112.743%0.4357%0.572SS.*Hα-helixtrans-64.8-47.4174.2176.40000110.3L4 P5 L10 S11 E12L4-V8 WeakPolarHBondContact O-CG2 3.5Å; L4-V8 PolarHBondContact O-N 3.02Å; P5-V8 PolarHBondContact O-N 3.26Å; V8-L10 VanDerWaalsContact C-N 3.33Å; V8-L10 PolarHBondContact O-N 3.19Å; V8-S11 PolarHBondContact O-N 3.22Å; V8-S11 VanDerWaalsContact O-N 3.1Å; V8-S11 PolarHBondContact O-OG 3.32Å; V8-E12 HydrophobicContact CG1-CG 4.44Å; V8-E12 WeakPolarHBondContact O-CG 3.18Å; V8-E12 PolarHBondContact O-N 3.42Å
9F55.9Low60.5Low144 Ų144109.1 Ų109.163%0.63256%0.561SS**Hα-helixtrans-58.3-39.1175.7-93.7-77.2000113.2P5 R13P5-F9 HydrophobicContact CB-CD2 4.46Å; P5-F9 WeakPolarHBondContact O-CB 3.31Å; P5-F9 VanDerWaalsContact O-CD2 3.24Å; P5-F9 WeakPolarHBondContact O-CD2 3.4Å; P5-F9 PolarHBondContact O-N 3.29Å; F9-R13 VanDerWaalsContact O-CB 3.27Å; F9-R13 WeakPolarHBondContact O-CB 3.42Å; F9-R13 PolarHBondContact O-N 2.61Å
10L57.3Low61.3Low106 Ų106104.6 Ų104.656%0.55554%0.541SS*.Hα-helixtrans-68.5-37.3176.1-78.1166.6000112.3A6 L7 V8 R14A6-L10 WeakPolarHBondContact O-CB 3.27Å; A6-L10 VanDerWaalsContact O-CG 3.32Å; A6-L10 WeakPolarHBondContact O-CG 3.28Å; A6-L10 PolarHBondContact O-N 3.04Å; L7-L10 PolarHBondContact O-N 3.31Å; V8-L10 VanDerWaalsContact C-N 3.33Å; V8-L10 PolarHBondContact O-N 3.19Å; L10-R14 WeakPolarHBondContact O-CG 3.45Å; L10-R14 PolarHBondContact O-N 3.48Å; L10-R14 VanDerWaalsContact O-N 3.11Å
11S58.6Low62.3Low46 Ų46103.3 Ų103.332%0.32253%0.534SS..Hα-helixtrans-70.2-40.6176.979.90000112.1L7 V8 R14 R15L7-S11 PolarHBondContact O-N 3.45Å; L7-S11 VanDerWaalsContact O-N 3.07Å; V8-S11 PolarHBondContact O-N 3.22Å; V8-S11 VanDerWaalsContact O-N 3.1Å; V8-S11 PolarHBondContact O-OG 3.32Å; S11-R14 PolarHBondContact O-N 3.13Å; S11-R15 WeakPolarHBondContact O-CB 3.33Å; S11-R15 VanDerWaalsContact O-CG 3.28Å; S11-R15 WeakPolarHBondContact O-CG 3.38Å; S11-R15 PolarHBondContact O-N 3.27Å
12E63.1Low63.9Low106 Ų10693.5 Ų93.550%0.49550%0.5SS..Hα-helixtrans-65.9-41.5175-75.7178.6168.200111.7V8 R14 R15 G16V8-E12 HydrophobicContact CG1-CG 4.44Å; V8-E12 WeakPolarHBondContact O-CG 3.18Å; V8-E12 PolarHBondContact O-N 3.42Å; E12-R14 PolarHBondContact O-N 3.35Å; E12-R15 PolarHBondContact O-N 3.39Å; E12-G16 PolarHBondContact O-N 3.49Å
13R65.4Low65.4Low145 Ų14595.2 Ų95.255%0.54750%0.495SS..Hα-helixtrans-64.5-39.2176.4-165.9172.8179.7170.60.9112.1F9 Q17 E554F9-R13 VanDerWaalsContact O-CB 3.27Å; F9-R13 WeakPolarHBondContact O-CB 3.42Å; F9-R13 PolarHBondContact O-N 2.61Å; R13-Q17 VanDerWaalsContact O-CG 3.26Å; R13-Q17 WeakPolarHBondContact O-CG 3.41Å; R13-Q17 PolarHBondContact O-N 2.66Å; R13-E554 IonicContact CZ-OE1 3.81Å; R13-E554 IonicContact NH2-OE1 2.79Å; R13-E554 PolarHBondContact NH2-OE1 3.33Å; R13-E554 IonicContact NH2-OE2 3.99Å
14R66.9Low66.8Low180 Ų18088.6 Ų88.668%0.67946%0.461SS*.Hα-helixtrans-66.9-41.4172.6-78.1-174.4-177.3-173.22.5112.2L10 S11 E12 Q17 L18L10-R14 WeakPolarHBondContact O-CG 3.45Å; L10-R14 PolarHBondContact O-N 3.48Å; L10-R14 VanDerWaalsContact O-N 3.11Å; S11-R14 PolarHBondContact O-N 3.13Å; E12-R14 PolarHBondContact O-N 3.35Å; R14-Q17 PolarHBondContact O-N 3.23Å; R14-L18 WeakPolarHBondContact O-CB 3.36Å; R14-L18 WeakPolarHBondContact O-CD1 3.4Å; R14-L18 VanDerWaalsContact O-CG 3.27Å; R14-L18 WeakPolarHBondContact O-CG 3.23Å; R14-L18 PolarHBondContact O-N 3.46Å
15R71.4Confident68.5Low181 Ų18183.6 Ų83.668%0.68344%0.441SS*.Hα-helixtrans-62.5-42.8175.5-74.7172.5-179.6-175.90.3111.7S11 E12 L18 A19S11-R15 WeakPolarHBondContact O-CB 3.33Å; S11-R15 VanDerWaalsContact O-CG 3.28Å; S11-R15 WeakPolarHBondContact O-CG 3.38Å; S11-R15 PolarHBondContact O-N 3.27Å; E12-R15 PolarHBondContact O-N 3.39Å; R15-L18 PolarHBondContact O-N 2.94Å; R15-A19 VanDerWaalsContact O-CB 3.29Å; R15-A19 WeakPolarHBondContact O-CB 3.47Å; R15-A19 PolarHBondContact O-N 3.23Å
16G72.9Confident70Confident43 Ų4384.7 Ų84.744%0.44345%0.446SS..Hα-helixtrans-64.9-38.7175.700000113.4E12 A19 A20E12-G16 PolarHBondContact O-N 3.49Å; G16-A19 PolarHBondContact O-N 3.08Å; G16-A20 WeakPolarHBondContact O-CB 3.28Å; G16-A20 PolarHBondContact O-N 3.32Å
17Q72.1Confident71.4Confident46 Ų4684.9 Ų84.922%0.21544%0.442CS..Hα-helixtrans-66.5-42.4173.9-73.5177.6-12.600112.3R13 R14 A20 L21 I551 E554R13-Q17 VanDerWaalsContact O-CG 3.26Å; R13-Q17 WeakPolarHBondContact O-CG 3.41Å; R13-Q17 PolarHBondContact O-N 2.66Å; R14-Q17 PolarHBondContact O-N 3.23Å; Q17-A20 PolarHBondContact O-N 2.98Å; Q17-L21 WeakPolarHBondContact O-CB 3.26Å; Q17-L21 VanDerWaalsContact O-CG 3.31Å; Q17-L21 WeakPolarHBondContact O-CG 3.31Å; Q17-L21 PolarHBondContact O-N 3.2Å; Q17-I551 HydrophobicContact CB-CD1 4.36Å; Q17-I551 HydrophobicContact CG-CD1 4.36Å; Q17-I551 HydrophobicContact CG-CG1 4.16Å; Q17-E554 PolarHBondContact NE2-OE2 2.94Å
18L75.9Confident72.9Confident117 Ų11784.3 Ų84.361%0.61344%0.439SS*.Hα-helixtrans-66.2-39.3175.8-72.6165000111.8R14 R15 L21 S22R14-L18 WeakPolarHBondContact O-CB 3.36Å; R14-L18 WeakPolarHBondContact O-CD1 3.4Å; R14-L18 VanDerWaalsContact O-CG 3.27Å; R14-L18 WeakPolarHBondContact O-CG 3.23Å; R14-L18 PolarHBondContact O-N 3.46Å; R15-L18 PolarHBondContact O-N 2.94Å; L18-L21 PolarHBondContact O-N 2.88Å; L18-S22 WeakPolarHBondContact O-CB 3.32Å; L18-S22 PolarHBondContact O-N 2.96Å; L18-S22 PolarHBondContact O-OG 3.2Å
19A76.3Confident74.4Confident44 Ų4486.9 Ų86.936%0.36445%0.449SS..Hα-helixtrans-66.8-41.7175.400000112.2R15 G16 S22 I23R15-A19 VanDerWaalsContact O-CB 3.29Å; R15-A19 WeakPolarHBondContact O-CB 3.47Å; R15-A19 PolarHBondContact O-N 3.23Å; G16-A19 PolarHBondContact O-N 3.08Å; A19-S22 WeakPolarHBondContact CA-OG 3.5Å; A19-S22 PolarHBondContact O-N 3.13Å; A19-S22 PolarHBondContact O-OG 2.79Å; A19-I23 WeakPolarHBondContact O-CB 3.36Å; A19-I23 WeakPolarHBondContact O-CD1 3.42Å; A19-I23 WeakPolarHBondContact O-CG1 3.18Å; A19-I23 PolarHBondContact O-N 2.9Å
20A76.9Confident75.7Confident18 Ų1884 Ų8415%0.14944%0.443CS..Hα-helixtrans-64.9-40.5175.100000112.1G16 Q17 A24 S547 I551G16-A20 WeakPolarHBondContact O-CB 3.28Å; G16-A20 PolarHBondContact O-N 3.32Å; Q17-A20 PolarHBondContact O-N 2.98Å; A20-A24 VanDerWaalsContact O-CB 3.26Å; A20-A24 WeakPolarHBondContact O-CB 3.33Å; A20-A24 PolarHBondContact O-N 3.25Å; A20-S547 VanDerWaalsContact CB-OG 3.27Å; A20-S547 WeakPolarHBondContact CB-OG 3.23Å; A20-I551 HydrophobicContact CB-CD1 4.02Å
21L81.1Confident76.9Confident78 Ų7880.4 Ų80.441%0.40843%0.431SS..Hα-helixtrans-67.6-38.5175.5-76.4167.8000112.3Q17 L18 A25 L548 I551Q17-L21 WeakPolarHBondContact O-CB 3.26Å; Q17-L21 VanDerWaalsContact O-CG 3.31Å; Q17-L21 WeakPolarHBondContact O-CG 3.31Å; Q17-L21 PolarHBondContact O-N 3.2Å; L18-L21 PolarHBondContact O-N 2.88Å; L21-A25 VanDerWaalsContact O-CB 3.25Å; L21-A25 WeakPolarHBondContact O-CB 3.45Å; L21-A25 PolarHBondContact O-N 2.77Å; L21-L548 HydrophobicContact CD2-CD2 4.01Å; L21-I551 HydrophobicContact CD1-CG2 4.43Å; L21-I551 HydrophobicContact CG-CD1 4.14Å
22S81.5Confident77.9Confident64 Ų6481.9 Ų81.945%0.44844%0.438SS..Hα-helixtrans-68.3-42.4177.165.50000111.7L18 A19 A25 V26L18-S22 WeakPolarHBondContact O-CB 3.32Å; L18-S22 PolarHBondContact O-N 2.96Å; L18-S22 PolarHBondContact O-OG 3.2Å; A19-S22 WeakPolarHBondContact CA-OG 3.5Å; A19-S22 PolarHBondContact O-N 3.13Å; A19-S22 PolarHBondContact O-OG 2.79Å; S22-A25 PolarHBondContact O-N 3.42Å; S22-V26 VanDerWaalsContact O-CG2 3.32Å; S22-V26 WeakPolarHBondContact O-CG2 3.39Å; S22-V26 PolarHBondContact O-N 3.28Å
23I82.7Confident78.8Confident90 Ų9080 Ų8046%0.46244%0.435SS..Hα-helixtrans-62.5-46.6174.7-68164.9000110.4A19 A25 V26 V27 I544A19-I23 WeakPolarHBondContact O-CB 3.36Å; A19-I23 WeakPolarHBondContact O-CD1 3.42Å; A19-I23 WeakPolarHBondContact O-CG1 3.18Å; A19-I23 PolarHBondContact O-N 2.9Å; I23-A25 VanDerWaalsContact C-N 3.33Å; I23-A25 PolarHBondContact O-N 3.01Å; I23-V26 PolarHBondContact O-N 2.68Å; I23-V27 HydrophobicContact CG2-CG2 4.46Å; I23-V27 WeakPolarHBondContact O-CG2 3.44Å; I23-V27 PolarHBondContact O-N 2.7Å; I23-I544 HydrophobicContact CG2-CD1 4.15Å
24A81.4Confident79.6Confident3 Ų378 Ų783%0.02544%0.435CS..Hα-helixtrans-60.3-42.417600000112.2A20 V27 I28 I544 L548A20-A24 VanDerWaalsContact O-CB 3.26Å; A20-A24 WeakPolarHBondContact O-CB 3.33Å; A20-A24 PolarHBondContact O-N 3.25Å; A24-V27 PolarHBondContact O-N 2.82Å; A24-I28 WeakPolarHBondContact O-CB 3.34Å; A24-I28 VanDerWaalsContact O-CG1 3.26Å; A24-I28 WeakPolarHBondContact O-CG1 3.4Å; A24-I28 PolarHBondContact O-N 3.46Å; A24-I544 HydrophobicContact CB-CG2 3.99Å; A24-L548 HydrophobicContact CB-CD1 3.88Å; A24-L548 HydrophobicContact CB-CD2 3.79Å; A24-L548 HydrophobicContact CB-CG 4.06Å
25A84.3Confident80Confident42 Ų4273 Ų7335%0.34742%0.416SS..Hα-helixtrans-62.1-43.8176.400000111.6L21 S22 I23 I28 I29L21-A25 VanDerWaalsContact O-CB 3.25Å; L21-A25 WeakPolarHBondContact O-CB 3.45Å; L21-A25 PolarHBondContact O-N 2.77Å; S22-A25 PolarHBondContact O-N 3.42Å; I23-A25 VanDerWaalsContact C-N 3.33Å; I23-A25 PolarHBondContact O-N 3.01Å; A25-I28 PolarHBondContact O-N 3.34Å; A25-I29 HydrophobicContact CB-CD1 4.32Å; A25-I29 WeakPolarHBondContact O-CB 3.34Å; A25-I29 WeakPolarHBondContact O-CG1 3.24Å; A25-I29 PolarHBondContact O-N 3.2Å
26V85.4Confident80.2Confident89 Ų8972.4 Ų72.454%0.53941%0.414SS..Hα-helixtrans-63.2-44.8176.2171.40000111.2S22 I23 I28 V30 G31S22-V26 VanDerWaalsContact O-CG2 3.32Å; S22-V26 WeakPolarHBondContact O-CG2 3.39Å; S22-V26 PolarHBondContact O-N 3.28Å; I23-V26 PolarHBondContact O-N 2.68Å; V26-I28 PolarHBondContact O-N 3.37Å; V26-V30 WeakPolarHBondContact O-CA 3.08Å; V26-V30 VanDerWaalsContact O-CB 3.28Å; V26-V30 WeakPolarHBondContact O-CB 3.3Å; V26-V30 PolarHBondContact O-N 3.15Å; V26-G31 PolarHBondContact O-N 3.29Å; V26-G31 VanDerWaalsContact O-N 3.1Å
27V83.1Confident80.5Confident54 Ų5478.1 Ų78.133%0.32743%0.427SS..Iπ-helixtrans-63.9-40.9179171.40000111.5I23 A24 G31 V32 I544I23-V27 HydrophobicContact CG2-CG2 4.46Å; I23-V27 WeakPolarHBondContact O-CG2 3.44Å; I23-V27 PolarHBondContact O-N 2.7Å; A24-V27 PolarHBondContact O-N 2.82Å; V27-G31 CarbonylContact O-C 3.39Å; V27-G31 WeakPolarHBondContact O-CA 3.41Å; V27-G31 PolarHBondContact O-N 2.89Å; V27-V32 PolarHBondContact O-N 2.71Å; V27-I544 HydrophobicContact CG2-CD1 4.1Å
28I83.1Confident80.6Confident104 Ų10480.6 Ų80.653%0.53345%0.445SS..Iπ-helixtrans-76.9-41.9-178.3-66.1167.1000111.8A24 A25 V26 P33A24-I28 WeakPolarHBondContact O-CB 3.34Å; A24-I28 VanDerWaalsContact O-CG1 3.26Å; A24-I28 WeakPolarHBondContact O-CG1 3.4Å; A24-I28 PolarHBondContact O-N 3.46Å; A25-I28 PolarHBondContact O-N 3.34Å; V26-I28 PolarHBondContact O-N 3.37Å; I28-P33 VanDerWaalsContact O-CD 3.32Å; I28-P33 WeakPolarHBondContact O-CD 3.19Å
29I86.5Confident80.4Confident124 Ų12476.5 Ų76.564%0.63643%0.425SS*.Iπ-helixtrans-82.7-33.5-174.4-62.5170.1000111.6A25 P33A25-I29 HydrophobicContact CB-CD1 4.32Å; A25-I29 WeakPolarHBondContact O-CB 3.34Å; A25-I29 WeakPolarHBondContact O-CG1 3.24Å; A25-I29 PolarHBondContact O-N 3.2Å; I29-P33 VanDerWaalsContact O-CG 3.31Å; I29-P33 WeakPolarHBondContact O-CG 3.46Å
30V84.8Confident80.2Confident83 Ų8380.5 Ų80.550%0.50344%0.436SS..Iπ-helixtrans-112-49.4-177-1750000111V26 L34V26-V30 WeakPolarHBondContact O-CA 3.08Å; V26-V30 VanDerWaalsContact O-CB 3.28Å; V26-V30 WeakPolarHBondContact O-CB 3.3Å; V26-V30 PolarHBondContact O-N 3.15Å; V30-L34 WeakPolarHBondContact O-CB 3.42Å; V30-L34 PolarHBondContact O-N 3.35Å
31G81.2Confident80Confident31 Ų3181.3 Ų81.332%0.3244%0.439SS..Iπ-helixtrans-62.2-50.4-174.500000113.6V26 V27 L34 W35V26-G31 PolarHBondContact O-N 3.29Å; V26-G31 VanDerWaalsContact O-N 3.1Å; V27-G31 CarbonylContact O-C 3.39Å; V27-G31 WeakPolarHBondContact O-CA 3.41Å; V27-G31 PolarHBondContact O-N 2.89Å; G31-L34 PolarHBondContact O-N 2.98Å; G31-W35 WeakPolarHBondContact O-CB 3.17Å; G31-W35 PolarHBondContact O-N 3.03Å
32V79.8Confident79.9Confident77 Ų7784 Ų8447%0.46745%0.445SS..Hα-helixtrans-65.2-48.2-179.4174.40000111.7V27 L34 W35 W36V27-V32 PolarHBondContact O-N 2.71Å; V32-L34 PolarHBondContact O-N 3.17Å; V32-W35 PolarHBondContact O-N 3.34Å; V32-W36 WeakPolarHBondContact O-CB 3.38Å; V32-W36 PolarHBondContact O-N 3.25Å
33P83Confident79.8Confident67 Ų6785 Ų8544%0.43544%0.439SS..Hα-helixtrans-65.2-37.8176.7-27.439.1000113.4I28 I29 K37I28-P33 VanDerWaalsContact O-CD 3.32Å; I28-P33 WeakPolarHBondContact O-CD 3.19Å; I29-P33 VanDerWaalsContact O-CG 3.31Å; I29-P33 WeakPolarHBondContact O-CG 3.46Å; P33-K37 VanDerWaalsContact O-CB 3.27Å; P33-K37 WeakPolarHBondContact O-CB 3.43Å; P33-K37 PolarHBondContact O-N 3.38Å
34L80.9Confident79.8Confident103 Ų10381.1 Ų81.154%0.53942%0.42SS..Hα-helixtrans-65-46.6176.1-176.168.3000110.8V30 G31 V32 K37 T38V30-L34 WeakPolarHBondContact O-CB 3.42Å; V30-L34 PolarHBondContact O-N 3.35Å; G31-L34 PolarHBondContact O-N 2.98Å; V32-L34 PolarHBondContact O-N 3.17Å; L34-K37 PolarHBondContact O-N 2.93Å; L34-T38 HydrophobicContact CD1-CG2 4.18Å; L34-T38 HydrophobicContact CG-CG2 4.36Å; L34-T38 WeakPolarHBondContact O-CB 3.37Å; L34-T38 WeakPolarHBondContact O-CG2 3.33Å; L34-T38 PolarHBondContact O-N 3.46Å; L34-T38 PolarHBondContact O-OG1 3.47Å
35W76.7Confident80.1Confident74 Ų7490.1 Ų90.128%0.2845%0.454SS..Hα-helixtrans-61.3-44.5177.117879.6000111.6G31 V32 K37 T38 T39 Y533 F537G31-W35 WeakPolarHBondContact O-CB 3.17Å; G31-W35 PolarHBondContact O-N 3.03Å; V32-W35 PolarHBondContact O-N 3.34Å; W35-K37 VanDerWaalsContact C-N 3.34Å; W35-K37 PolarHBondContact O-N 3.41Å; W35-T38 PolarHBondContact O-N 2.85Å; W35-T38 PolarHBondContact O-OG1 3.42Å; W35-T39 HydrophobicContact CD2-CG2 4.36Å; W35-T39 HydrophobicContact CG-CG2 4.37Å; W35-T39 HydrophobicContact CZ2-CG2 4.43Å; W35-T39 WeakPolarHBondContact O-CB 3.42Å; W35-T39 VanDerWaalsContact O-CG2 3.32Å; W35-T39 WeakPolarHBondContact O-CG2 3.41Å; W35-T39 PolarHBondContact O-N 3.11Å; W35-T39 PolarHBondContact O-OG1 3.07Å; W35-Y533 HydrophobicContact CZ2-CD2 4.47Å; W35-F537 AromaticContact CD1-CE2 3.8Å; W35-F537 AromaticContact CD1-CZ 3.8Å; W35-F537 AromaticContact NE1-CE2 3.68Å
36W75.3Confident80.2Confident169 Ų16989.2 Ų89.264%0.6444%0.443SS*.Hα-helixtrans-59-47.6175.8-166.4-84.7000110.9V32 T38 T39 E40V32-W36 WeakPolarHBondContact O-CB 3.38Å; V32-W36 PolarHBondContact O-N 3.25Å; W36-T38 PolarHBondContact O-N 3.42Å; W36-T39 PolarHBondContact O-N 3.25Å; W36-T39 PolarHBondContact O-OG1 3.11Å; W36-E40 WeakPolarHBondContact O-CB 3.1Å; W36-E40 PolarHBondContact O-N 2.81Å
37K77.8Confident80.4Confident164 Ų16485 Ų8571%0.71342%0.418SS*.Hα-helixtrans-68.9-30.6-179.2-168.4172-177.3176.90114P33 L34 W35P33-K37 VanDerWaalsContact O-CB 3.27Å; P33-K37 WeakPolarHBondContact O-CB 3.43Å; P33-K37 PolarHBondContact O-N 3.38Å; L34-K37 PolarHBondContact O-N 2.93Å; W35-K37 VanDerWaalsContact C-N 3.34Å; W35-K37 PolarHBondContact O-N 3.41Å
38T74.8Confident80.5Confident98 Ų9885.2 Ų85.260%0.60142%0.419SS*.Hα-helixtrans-87.1-16.4178.357.60000113.6L34 W35 W36L34-T38 HydrophobicContact CD1-CG2 4.18Å; L34-T38 HydrophobicContact CG-CG2 4.36Å; L34-T38 WeakPolarHBondContact O-CB 3.37Å; L34-T38 WeakPolarHBondContact O-CG2 3.33Å; L34-T38 PolarHBondContact O-N 3.46Å; L34-T38 PolarHBondContact O-OG1 3.47Å; W35-T38 PolarHBondContact O-N 2.85Å; W35-T38 PolarHBondContact O-OG1 3.42Å; W36-T38 PolarHBondContact O-N 3.42Å
39T72.2Confident80.8Confident31 Ų3183.9 Ų83.919%0.1942%0.419CS..Hα-helixtrans-101.9-8.6176.657.90000113.4W35 W36 T41 Y533W35-T39 HydrophobicContact CD2-CG2 4.36Å; W35-T39 HydrophobicContact CG-CG2 4.37Å; W35-T39 HydrophobicContact CZ2-CG2 4.43Å; W35-T39 WeakPolarHBondContact O-CB 3.42Å; W35-T39 VanDerWaalsContact O-CG2 3.32Å; W35-T39 WeakPolarHBondContact O-CG2 3.41Å; W35-T39 PolarHBondContact O-N 3.11Å; W35-T39 PolarHBondContact O-OG1 3.07Å; W36-T39 PolarHBondContact O-N 3.25Å; W36-T39 PolarHBondContact O-OG1 3.11Å; T39-T41 PolarHBondContact O-N 2.9Å; T39-Y533 HydrophobicContact CG2-CE2 3.99Å
40E70.9Confident80.9Confident128 Ų12881.1 Ų81.160%0.59840%0.403SS*.SBendtrans-63.1131.8171.1-169.8168.5-166.200110.3W36W36-E40 WeakPolarHBondContact O-CB 3.1Å; W36-E40 PolarHBondContact O-N 2.81Å
41T73.1Confident81.1Confident35 Ų3577.5 Ų77.522%0.21538%0.381CS..PPolyproline II helixtrans-72.2133.8175.954.30000109.1T39 R43T39-T41 PolarHBondContact O-N 2.9Å; T41-R43 PolarHBondContact O-N 2.81Å
42Y79.4Confident81.4Confident135 Ų13584.3 Ų84.353%0.52940%0.397SS..PPolyproline II helixtrans-60.9128.9176177.7-99.4000110.1A44 D470Y42-A44 HydrophobicContact CE1-CB 4.26Å; Y42-D470 PolarHBondContact OH-OD1 3.36Å
43R78.8Confident81.9Confident84 Ų8487.1 Ų87.132%0.31741%0.405SS..BIsolated β-bridgetrans-133.8111.8177.2-72.3-179.1166.3-127.9-28.7108.9T41 L460 I463 G464 I466 I468T41-R43 PolarHBondContact O-N 2.81Å; R43-L460 PolarHBondContact NH1-O 3.26Å; R43-L460 VanDerWaalsContact NH1-O 3.11Å; R43-I463 PolarHBondContact NH2-O 3.25Å; R43-G464 PolarHBondContact NE-O 2.81Å; R43-G464 VanDerWaalsContact NE-O 3.1Å; R43-G464 VanDerWaalsContact NH2-CA 3.25Å; R43-G464 PolarHBondContact NH2-O 2.79Å; R43-I466 PolarHBondContact NE-O 3.32Å; R43-I466 VanDerWaalsContact NH2-N 3.14Å; R43-I466 PolarHBondContact NH2-O 3.48Å; R43-I468 HydrophobicContact CB-CD1 4.28Å; R43-I468 HydrophobicContact CG-CD1 4.24Å
44A83.8Confident82.1Confident9 Ų985 Ų857%0.07439%0.39CS..  trans-60.9151168.900000110.7Y42 I468 D470 A473Y42-A44 HydrophobicContact CE1-CB 4.26Å; A44-I468 HydrophobicContact CB-CG2 4.13Å; A44-I468 WeakPolarHBondContact CB-O 3.49Å; A44-I468 PolarHBondContact N-O 2.84Å; A44-D470 WeakPolarHBondContact CB-OD1 3.36Å; A44-A473 HydrophobicContact CB-CB 3.66Å
45W88Confident82.3Confident191 Ų19181.4 Ų81.472%0.72338%0.375SS*.  trans-68.7139.5-179.8179.389.6000111.2P47W45-P47 HydrophobicContact CH2-CB 3.75Å; W45-P47 HydrophobicContact CZ3-CB 3.91Å
46L86.4Confident82.9Confident23 Ų2384.2 Ų84.212%0.1239%0.389CS..  trans-121.6144.5176.7-66.5177.5000111.2V48 L460 I468 A473 V476L46-V48 HydrophobicContact CB-CG2 4.07Å; L46-V48 PolarHBondContact O-N 3.43Å; L46-L460 HydrophobicContact CD1-CD1 3.52Å; L46-I468 HydrophobicContact CD1-CD1 3.77Å; L46-I468 HydrophobicContact CD1-CG2 4.44Å; L46-I468 HydrophobicContact CD2-CG2 4.2Å; L46-I468 HydrophobicContact CG-CD1 4.4Å; L46-I468 HydrophobicContact CG-CG2 4.39Å; L46-A473 HydrophobicContact CD2-CB 4.07Å; L46-V476 HydrophobicContact CD2-CB 4.07Å; L46-V476 HydrophobicContact CD2-CG1 4.11Å; L46-V476 HydrophobicContact CD2-CG2 4.25Å
47P89.2Confident83.3Confident2 Ų276.4 Ų76.41%0.01336%0.36CS..  trans-7758.1179.333.3-37000112.8W45 S49 Q50 I51 V476 V480W45-P47 HydrophobicContact CH2-CB 3.75Å; W45-P47 HydrophobicContact CZ3-CB 3.91Å; P47-S49 VanDerWaalsContact C-N 3.29Å; P47-S49 PolarHBondContact O-N 3.31Å; P47-Q50 HydrophobicContact CB-CB 4.31Å; P47-Q50 HydrophobicContact CB-CG 4.41Å; P47-Q50 PolarHBondContact O-N 3.27Å; P47-Q50 VanDerWaalsContact O-N 3.16Å; P47-I51 HydrophobicContact CG-CD1 4.45Å; P47-I51 WeakPolarHBondContact O-CG1 3.36Å; P47-I51 PolarHBondContact O-N 3.33Å; P47-V476 HydrophobicContact CG-CG1 4.31Å; P47-V480 HydrophobicContact CG-CG2 4.15Å
48V85.9Confident83.9Confident57 Ų5775.2 Ų75.235%0.34536%0.357SS..Hα-helixtrans-61.3-33.9-172.5-177.40000113.1L46 I51 R52L46-V48 HydrophobicContact CB-CG2 4.07Å; L46-V48 PolarHBondContact O-N 3.43Å; V48-I51 PolarHBondContact O-N 2.99Å; V48-R52 WeakPolarHBondContact O-CG 3.36Å; V48-R52 PolarHBondContact O-N 3.21Å
49S87.5Confident84.7Confident76 Ų7670.7 Ų70.753%0.53133%0.329SS..Hα-helixtrans-63.2-46176.451.90000111.8P47 I51 R52 E53P47-S49 VanDerWaalsContact C-N 3.29Å; P47-S49 PolarHBondContact O-N 3.31Å; S49-I51 VanDerWaalsContact C-N 3.33Å; S49-I51 PolarHBondContact O-N 3.47Å; S49-R52 PolarHBondContact O-N 2.74Å; S49-E53 PolarHBondContact O-N 2.78Å
50Q89.3Confident85.7Confident66 Ų6671.1 Ų71.131%0.30833%0.329SS..Hα-helixtrans-65.7-38.7178.2-61.8173-200111P47 R52 E53 L54 V480P47-Q50 HydrophobicContact CB-CB 4.31Å; P47-Q50 HydrophobicContact CB-CG 4.41Å; P47-Q50 PolarHBondContact O-N 3.27Å; P47-Q50 VanDerWaalsContact O-N 3.16Å; Q50-R52 VanDerWaalsContact C-N 3.32Å; Q50-R52 PolarHBondContact O-N 2.92Å; Q50-E53 PolarHBondContact O-N 3.45Å; Q50-L54 WeakPolarHBondContact O-CB 3.38Å; Q50-L54 WeakPolarHBondContact O-CG 3.27Å; Q50-L54 PolarHBondContact O-N 2.68Å; Q50-V480 HydrophobicContact CB-CG1 3.81Å; Q50-V480 VanDerWaalsContact OE1-CG1 3.26Å
51I89.2Confident86.8Confident8 Ų865 Ų654%0.04130%0.3CS..Hα-helixtrans-61.4-42174.8-63.3168.2000110.7P47 V48 S49 E53 L54 A55 I453 A457 V476 V480P47-I51 HydrophobicContact CG-CD1 4.45Å; P47-I51 WeakPolarHBondContact O-CG1 3.36Å; P47-I51 PolarHBondContact O-N 3.33Å; V48-I51 PolarHBondContact O-N 2.99Å; S49-I51 VanDerWaalsContact C-N 3.33Å; S49-I51 PolarHBondContact O-N 3.47Å; I51-E53 VanDerWaalsContact C-N 3.34Å; I51-E53 PolarHBondContact O-N 3.06Å; I51-L54 PolarHBondContact O-N 2.96Å; I51-A55 WeakPolarHBondContact O-CB 3.2Å; I51-A55 PolarHBondContact O-N 2.9Å; I51-I453 HydrophobicContact CB-CG2 4.41Å; I51-I453 HydrophobicContact CD1-CG2 3.59Å; I51-I453 HydrophobicContact CG1-CG2 3.61Å; I51-I453 HydrophobicContact CG2-CG2 3.92Å; I51-A457 HydrophobicContact CD1-CB 4.22Å; I51-A457 HydrophobicContact CG2-CB 4.05Å; I51-V476 HydrophobicContact CD1-CG1 4.02Å; I51-V480 HydrophobicContact CD1-CG2 4.45Å; I51-V480 HydrophobicContact CG1-CG2 3.77Å
52R87.8Confident87.7Confident174 Ų17463.8 Ų63.866%0.65729%0.293SS*.Hα-helixtrans-66.9-33.6176.8-73.9177.9-176.7177.52113.1V48 S49 Q50V48-R52 WeakPolarHBondContact O-CG 3.36Å; V48-R52 PolarHBondContact O-N 3.21Å; S49-R52 PolarHBondContact O-N 2.74Å; Q50-R52 VanDerWaalsContact C-N 3.32Å; Q50-R52 PolarHBondContact O-N 2.92Å
53E89.3Confident88.3Confident135 Ų13557.4 Ų57.463%0.63127%0.268SS*.Hα-helixtrans-67.4-47.7172.9-73.1172.9-178.200110.8S49 Q50 I51 A55 K56S49-E53 PolarHBondContact O-N 2.78Å; Q50-E53 PolarHBondContact O-N 3.45Å; I51-E53 VanDerWaalsContact C-N 3.34Å; I51-E53 PolarHBondContact O-N 3.06Å; E53-A55 PolarHBondContact O-N 2.75Å; E53-K56 PolarHBondContact O-N 3.37Å
54L88.1Confident88.9Confident24 Ų2456.2 Ų56.213%0.12627%0.268CS..Hα-helixtrans-63.2-28.9176-70.6172.5000112.8Q50 I51 K56 L57 T450 V480 L483 Q484Q50-L54 WeakPolarHBondContact O-CB 3.38Å; Q50-L54 WeakPolarHBondContact O-CG 3.27Å; Q50-L54 PolarHBondContact O-N 2.68Å; I51-L54 PolarHBondContact O-N 2.96Å; L54-K56 PolarHBondContact O-N 3.46Å; L54-L57 PolarHBondContact O-N 3.4Å; L54-T450 HydrophobicContact CB-CG2 4.44Å; L54-T450 WeakPolarHBondContact O-CG2 3.29Å; L54-V480 HydrophobicContact CD1-CB 4.41Å; L54-V480 HydrophobicContact CD1-CG1 3.87Å; L54-V480 HydrophobicContact CD1-CG2 4.36Å; L54-L483 HydrophobicContact CD1-CB 4.13Å; L54-L483 HydrophobicContact CD1-CD1 4.06Å; L54-Q484 HydrophobicContact CD2-CG 4.27Å
55A85.8Confident89.3Confident26 Ų2655.9 Ų55.922%0.21527%0.265CS..THydrogen-bonded Turntrans-62.6-23.7174.100000112.5I51 E53 L57 R214 T454I51-A55 WeakPolarHBondContact O-CB 3.2Å; I51-A55 PolarHBondContact O-N 2.9Å; E53-A55 PolarHBondContact O-N 2.75Å; A55-L57 PolarHBondContact O-N 3.43Å; A55-R214 PolarHBondContact O-NH2 2.99Å; A55-T454 HydrophobicContact CB-CG2 4.22Å
56K87.6Confident89.5Confident134 Ų13449.2 Ų49.258%0.58324%0.242SC*.SBendtrans-93.173.8166.8-65.3-176.2179.3-174.80109.3E53 L54 Q58 D97E53-K56 PolarHBondContact O-N 3.37Å; L54-K56 PolarHBondContact O-N 3.46Å; K56-Q58 PolarHBondContact O-N 2.89Å; K56-D97 CarbonylContact C-O 3.51Å
57L85.1Confident89.7Confident5 Ų548.1 Ų48.13%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-65.5108.3-173.2-168.270.7000111.4L54 A55 L59 D97 T98 A99 L211 R214 I446 A447L54-L57 PolarHBondContact O-N 3.4Å; A55-L57 PolarHBondContact O-N 3.43Å; L57-L59 HydrophobicContact CD1-CD1 4.49Å; L57-L59 HydrophobicContact CD1-CD2 4Å; L57-L59 HydrophobicContact CD1-CG 4.14Å; L57-L59 HydrophobicContact CD2-CD1 3.87Å; L57-L59 HydrophobicContact CD2-CG 4.2Å; L57-L59 HydrophobicContact CG-CD1 4.12Å; L57-L59 HydrophobicContact CG-CD2 4.3Å; L57-L59 HydrophobicContact CG-CG 3.88Å; L57-D97 PolarHBondContact N-O 2.82Å; L57-T98 WeakPolarHBondContact O-CA 3.33Å; L57-A99 PolarHBondContact O-N 2.96Å; L57-A99 VanDerWaalsContact O-N 3.09Å; L57-L211 HydrophobicContact CD2-CD2 4.33Å; L57-R214 VanDerWaalsContact CD2-NH1 3.3Å; L57-I446 HydrophobicContact CD1-CG2 3.78Å; L57-A447 HydrophobicContact CD2-CB 4.46Å
58Q89.7Confident89.8Confident139 Ų13948 Ų4865%0.6524%0.236SC*.EExtended strand (participates in β ladder)trans-109.9109.2169.9-62.5-175.6-5.900107.5K56 A99K56-Q58 PolarHBondContact O-N 2.89Å; Q58-A99 WeakPolarHBondContact CA-O 3.35Å; Q58-A99 HydrophobicContact CG-CB 4.46Å
59L91.8Very high90Very high2 Ų245.5 Ų45.51%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-109.1127.6179.5-64.7173.9000109.9L57 L61 A99 L100 K101 V443 I446 V487L57-L59 HydrophobicContact CD1-CD1 4.49Å; L57-L59 HydrophobicContact CD1-CD2 4Å; L57-L59 HydrophobicContact CD1-CG 4.14Å; L57-L59 HydrophobicContact CD2-CD1 3.87Å; L57-L59 HydrophobicContact CD2-CG 4.2Å; L57-L59 HydrophobicContact CG-CD1 4.12Å; L57-L59 HydrophobicContact CG-CD2 4.3Å; L57-L59 HydrophobicContact CG-CG 3.88Å; L59-L61 HydrophobicContact CB-CD1 4.14Å; L59-A99 PolarHBondContact N-O 2.79Å; L59-L100 HydrophobicContact CB-CD2 3.77Å; L59-L100 HydrophobicContact CD1-CD2 4.11Å; L59-L100 HydrophobicContact CG-CD2 4.42Å; L59-L100 CarbonylContact O-C 3.59Å; L59-L100 WeakPolarHBondContact O-CA 3.35Å; L59-K101 PolarHBondContact O-N 3.14Å; L59-V443 HydrophobicContact CD1-CG1 4.01Å; L59-V443 HydrophobicContact CD1-CG2 4.45Å; L59-I446 HydrophobicContact CD2-CD1 4.43Å; L59-I446 HydrophobicContact CD2-CG2 4.09Å; L59-V487 HydrophobicContact CD2-CG1 4.4Å; L59-V487 HydrophobicContact CD2-CG2 3.81Å
60Q93.6Very high90Very high41 Ų4142.2 Ų42.219%0.19220%0.198CC..EExtended strand (participates in β ladder)trans-111.1122.9167.3174.2-176.8-50.800109.4K101 R103 L490 E491Q60-K101 CarbonylContact C-O 3.45Å; Q60-K101 VanDerWaalsContact CA-O 3.24Å; Q60-K101 WeakPolarHBondContact CA-O 3.39Å; Q60-K101 HydrophobicContact CB-CB 4.02Å; Q60-K101 HydrophobicContact CG-CB 4.14Å; Q60-R103 HydrophobicContact CG-CB 4.43Å; Q60-L490 CarbonylContact O-C 3.56Å; Q60-E491 HydrophobicContact CB-CG 3.76Å; Q60-E491 HydrophobicContact CG-CG 4.26Å; Q60-E491 PolarHBondContact O-N 2.83Å
61L93.3Very high89.7Confident0 Ų049.1 Ų49.10%022%0.221CC..EExtended strand (participates in β ladder)trans-103.9117.7176.1-70.674.2000108.3L59 K101 Y102 R103 F202 I207 W439 V443L59-L61 HydrophobicContact CB-CD1 4.14Å; L61-K101 PolarHBondContact N-O 2.66Å; L61-Y102 HydrophobicContact CB-CD1 4.28Å; L61-Y102 HydrophobicContact CD1-CD1 4.42Å; L61-Y102 HydrophobicContact CD1-CE1 4.31Å; L61-R103 PolarHBondContact O-N 3.2Å; L61-F202 HydrophobicContact CB-CE1 4.01Å; L61-F202 HydrophobicContact CB-CE2 4.26Å; L61-F202 HydrophobicContact CB-CZ 3.68Å; L61-F202 HydrophobicContact CD2-CD1 4.21Å; L61-F202 HydrophobicContact CD2-CD2 4.3Å; L61-F202 HydrophobicContact CD2-CE1 4.16Å; L61-F202 HydrophobicContact CD2-CE2 4.25Å; L61-F202 HydrophobicContact CD2-CG 4.29Å; L61-F202 HydrophobicContact CD2-CZ 4.19Å; L61-I207 HydrophobicContact CD2-CD1 3.76Å; L61-I207 HydrophobicContact CD2-CG1 4.1Å; L61-W439 HydrophobicContact CB-CE3 4.31Å; L61-W439 HydrophobicContact CB-CH2 4.46Å; L61-W439 HydrophobicContact CB-CZ3 3.82Å; L61-W439 HydrophobicContact CD2-CD2 4.47Å; L61-W439 HydrophobicContact CD2-CE3 3.61Å; L61-W439 HydrophobicContact CD2-CZ3 3.98Å; L61-W439 HydrophobicContact CG-CE3 4.01Å; L61-W439 HydrophobicContact CG-CZ3 3.85Å; L61-V443 HydrophobicContact CD1-CG2 4.42Å; L61-V443 HydrophobicContact CD2-CG2 4.12Å
62S92.6Very high89Confident8 Ų851.5 Ų51.56%0.05625%0.247CC..EExtended strand (participates in β ladder)trans-103.6126.4178.4-62.70000111.5R103 W439 L490 E491 G493S62-R103 CarbonylContact C-O 3.56Å; S62-R103 VanDerWaalsContact CA-O 3.24Å; S62-R103 WeakPolarHBondContact CA-O 3.48Å; S62-W439 WeakPolarHBondContact O-CH2 3.49Å; S62-L490 PolarHBondContact N-O 2.9Å; S62-L490 VanDerWaalsContact N-O 3.13Å; S62-E491 VanDerWaalsContact CB-O 3.24Å; S62-E491 WeakPolarHBondContact CB-O 3.45Å; S62-E491 PolarHBondContact OG-O 3.17Å; S62-G493 VanDerWaalsContact O-CA 3.26Å; S62-G493 WeakPolarHBondContact O-CA 3.38Å
63A91.1Very high88.5Confident2 Ų244 Ų442%0.01722%0.221CC..EExtended strand (participates in β ladder)trans-123.6128.2175.300000111.6R103 Y104 E105 F202A63-R103 PolarHBondContact N-O 3.02Å; A63-Y104 HydrophobicContact CB-CD1 4Å; A63-Y104 HydrophobicContact CB-CE1 4.3Å; A63-Y104 WeakPolarHBondContact O-CA 3.37Å; A63-E105 PolarHBondContact O-N 3.11Å; A63-F202 HydrophobicContact CB-CE1 4.14Å
64D91.8Very high88.1Confident58 Ų5838.7 Ų38.731%0.3120%0.197SC..EExtended strand (participates in β ladder)trans-88127.8178.2-78.1-5000110.7S141 L142D64-S141 CarbonylContact O-C 3.43Å; D64-S141 VanDerWaalsContact O-CA 3.26Å; D64-S141 WeakPolarHBondContact O-CA 3.5Å; D64-L142 PolarHBondContact O-N 2.84Å
65V92Very high87.6Confident3 Ų340.6 Ų40.62%0.01821%0.21CC..EExtended strand (participates in β ladder)trans-124.8125.2-179.3-171.70000109.1V67 E105 T106 K107 L142 I144 L197V65-V67 HydrophobicContact CG1-CG2 4.25Å; V65-E105 PolarHBondContact N-O 3.27Å; V65-T106 HydrophobicContact CB-CG2 4.3Å; V65-T106 HydrophobicContact CG1-CG2 4.34Å; V65-T106 CarbonylContact O-C 3.59Å; V65-T106 WeakPolarHBondContact O-CA 3.42Å; V65-K107 PolarHBondContact O-N 2.98Å; V65-L142 CarbonylContact C-O 3.58Å; V65-L142 WeakPolarHBondContact CA-O 3.39Å; V65-I144 HydrophobicContact CG1-CD1 3.83Å; V65-I144 HydrophobicContact CG1-CG1 4.3Å; V65-L197 HydrophobicContact CG2-CD1 4.27Å; V65-L197 HydrophobicContact CG2-CD2 3.46Å; V65-L197 VanDerWaalsContact CG2-CD2 3.46Å; V65-L197 HydrophobicContact CG2-CG 4.37Å
66E92.4Very high87.1Confident50 Ų5044 Ų4423%0.23423%0.23CC..EExtended strand (participates in β ladder)trans-107.4124.4172.6-169.1171.8-13200109.6V68 K107 R109 L142 V143 I144E66-V68 HydrophobicContact CG-CG2 3.98Å; E66-K107 CarbonylContact C-O 3.57Å; E66-K107 WeakPolarHBondContact CA-O 3.39Å; E66-R109 HydrophobicContact CG-CG 4.33Å; E66-R109 VanDerWaalsContact OE1-CD 3.26Å; E66-R109 WeakPolarHBondContact OE1-CD 3.24Å; E66-R109 IonicContact OE1-CZ 3.28Å; E66-R109 IonicContact OE1-NE 2.77Å; E66-R109 PolarHBondContact OE1-NE 2.9Å; E66-R109 IonicContact OE1-NH2 3.3Å; E66-R109 IonicContact OE2-CZ 3.01Å; E66-R109 IonicContact OE2-NE 3.97Å; E66-R109 PolarHBondContact OE2-NE 2.86Å; E66-R109 IonicContact OE2-NH2 2.68Å; E66-R109 PolarHBondContact OE2-NH2 3.34Å; E66-L142 PolarHBondContact N-O 2.86Å; E66-V143 HydrophobicContact CB-CG1 4.34Å; E66-V143 HydrophobicContact CB-CG2 4.3Å; E66-V143 CarbonylContact O-C 3.58Å; E66-V143 WeakPolarHBondContact O-CA 3.36Å; E66-I144 PolarHBondContact O-N 2.6Å
67V91.1Very high86.4Confident0 Ų045 Ų450%024%0.237CC..EExtended strand (participates in β ladder)trans-110.6114.7177.6-179.70000108.3V65 F69 T106 K107 Y108 R109 I144 V146 I193V65-V67 HydrophobicContact CG1-CG2 4.25Å; V67-F69 HydrophobicContact CG1-CE1 4.34Å; V67-F69 HydrophobicContact CG1-CE2 4.4Å; V67-F69 HydrophobicContact CG1-CZ 4.06Å; V67-T106 HydrophobicContact CG2-CG2 3.62Å; V67-K107 PolarHBondContact N-O 3.39Å; V67-Y108 HydrophobicContact CB-CD1 3.57Å; V67-Y108 HydrophobicContact CB-CE1 3.8Å; V67-Y108 HydrophobicContact CG1-CD1 3.83Å; V67-Y108 HydrophobicContact CG1-CE1 4Å; V67-Y108 HydrophobicContact CG2-CD1 4.15Å; V67-Y108 HydrophobicContact CG2-CE1 3.87Å; V67-Y108 WeakPolarHBondContact O-CA 3.21Å; V67-R109 PolarHBondContact O-N 2.87Å; V67-I144 CarbonylContact C-O 3.47Å; V67-I144 WeakPolarHBondContact CA-O 3.36Å; V67-I144 HydrophobicContact CG2-CB 4.36Å; V67-I144 HydrophobicContact CG2-CD1 4.49Å; V67-V146 HydrophobicContact CG1-CG2 3.72Å; V67-I193 HydrophobicContact CG2-CD1 4.01Å
68V91.1Very high86Confident0 Ų045.1 Ų45.10%024%0.237CC..EExtended strand (participates in β ladder)trans-110.3116.8-173.5-172.20000109.5E66 R109 A111 V143 I144 Y145 V146E66-V68 HydrophobicContact CG-CG2 3.98Å; V68-R109 WeakPolarHBondContact CA-O 3.26Å; V68-R109 HydrophobicContact CG1-CG 4.43Å; V68-R109 HydrophobicContact CG2-CG 3.99Å; V68-R109 VanDerWaalsContact CG2-CZ 3.45Å; V68-A111 VanDerWaalsContact CG1-CA 3.44Å; V68-A111 HydrophobicContact CG1-CB 3.71Å; V68-V143 HydrophobicContact CG2-CG1 3.82Å; V68-I144 PolarHBondContact N-O 3.41Å; V68-Y145 HydrophobicContact CB-CD1 3.67Å; V68-Y145 HydrophobicContact CB-CE1 3.85Å; V68-Y145 HydrophobicContact CB-CG 4.44Å; V68-Y145 HydrophobicContact CG1-CD1 3.87Å; V68-Y145 HydrophobicContact CG1-CE1 3.87Å; V68-Y145 HydrophobicContact CG2-CD1 4.27Å; V68-Y145 HydrophobicContact CG2-CE1 4.01Å; V68-Y145 CarbonylContact O-C 3.59Å; V68-Y145 WeakPolarHBondContact O-CA 3.37Å; V68-V146 PolarHBondContact O-N 3.01Å
69F89.8Confident85.4Confident5 Ų543.1 Ų43.12%0.02223%0.228CC..EExtended strand (participates in β ladder)trans-86.5118.3178.5-66-70.4000111.4V67 V74 Y108 R109 T110 A111 V146 L185 L186 L189V67-F69 HydrophobicContact CG1-CE1 4.34Å; V67-F69 HydrophobicContact CG1-CE2 4.4Å; V67-F69 HydrophobicContact CG1-CZ 4.06Å; F69-V74 HydrophobicContact CB-CG2 3.62Å; F69-V74 HydrophobicContact CD1-CG2 3.45Å; F69-V74 VanDerWaalsContact CD1-CG2 3.45Å; F69-V74 HydrophobicContact CD2-CG2 4.01Å; F69-V74 HydrophobicContact CE1-CG2 4.09Å; F69-V74 HydrophobicContact CG-CG2 3.41Å; F69-V74 VanDerWaalsContact CG-CG2 3.41Å; F69-Y108 AromaticContact CE2-CD1 3.85Å; F69-Y108 HydrophobicContact CE2-CD1 3.85Å; F69-Y108 HydrophobicContact CE2-CG 4.43Å; F69-Y108 AromaticContact CZ-CD1 3.99Å; F69-Y108 HydrophobicContact CZ-CD1 3.99Å; F69-R109 WeakPolarHBondContact CD2-O 3.35Å; F69-R109 PolarHBondContact N-O 3.34Å; F69-T110 HydrophobicContact CB-CG2 4.42Å; F69-A111 PolarHBondContact O-N 3.22Å; F69-V146 HydrophobicContact CD1-CB 3.79Å; F69-V146 HydrophobicContact CD1-CG1 4.01Å; F69-V146 HydrophobicContact CD1-CG2 4.03Å; F69-V146 HydrophobicContact CE1-CB 4.17Å; F69-V146 HydrophobicContact CE1-CG1 4.23Å; F69-V146 HydrophobicContact CE1-CG2 3.96Å; F69-L185 HydrophobicContact CE1-CD2 3.79Å; F69-L185 HydrophobicContact CZ-CD2 3.96Å; F69-L186 HydrophobicContact CZ-CD2 4.12Å; F69-L189 HydrophobicContact CE1-CD1 3.72Å; F69-L189 HydrophobicContact CZ-CD1 4.07Å
70A87.1Confident84.6Confident7 Ų752 Ų526%0.05827%0.267CS..PPolyproline II helixtrans-74.8163.7174.400000112.3G72 T73 E116 L119 V146A70-G72 PolarHBondContact O-N 3.03Å; A70-T73 HydrophobicContact CB-CG2 4.36Å; A70-T73 PolarHBondContact N-OG1 2.88Å; A70-T73 WeakPolarHBondContact O-CB 3.41Å; A70-T73 WeakPolarHBondContact O-CG2 3.42Å; A70-T73 PolarHBondContact O-N 3.21Å; A70-T73 VanDerWaalsContact O-N 3.13Å; A70-T73 PolarHBondContact O-OG1 2.82Å; A70-E116 VanDerWaalsContact CA-OE1 3.28Å; A70-E116 WeakPolarHBondContact CA-OE1 3.39Å; A70-L119 HydrophobicContact CB-CD1 3.66Å; A70-V146 WeakPolarHBondContact CB-O 3.47Å; A70-V146 PolarHBondContact N-O 3.24Å
71R82.7Confident83.9Confident211 Ų21155.9 Ų55.980%0.79628%0.283SS*.THydrogen-bonded Turntrans-61.7130.7-176-167.8175-178.9-179.6-0110.7E116R71-E116 WeakPolarHBondContact CB-OE1 3.25Å; R71-E116 PolarHBondContact N-OE1 2.87Å; R71-E116 PolarHBondContact N-OE2 3.33Å
72G74.8Confident83.2Confident58 Ų5856.8 Ų56.860%0.59829%0.289SS*.THydrogen-bonded Turntrans85.91.1-179.100000115.1A70A70-G72 PolarHBondContact O-N 3.03Å
73T78.9Confident82.6Confident17 Ų1762 Ų6210%0.10432%0.322CS..SBendtrans-85.2-32.3172.960.40000113.8A70 V146 I147 P148 V172A70-T73 HydrophobicContact CB-CG2 4.36Å; A70-T73 PolarHBondContact N-OG1 2.88Å; A70-T73 WeakPolarHBondContact O-CB 3.41Å; A70-T73 WeakPolarHBondContact O-CG2 3.42Å; A70-T73 PolarHBondContact O-N 3.21Å; A70-T73 VanDerWaalsContact O-N 3.13Å; A70-T73 PolarHBondContact O-OG1 2.82Å; T73-V146 HydrophobicContact CG2-CG1 4.34Å; T73-V146 WeakPolarHBondContact CG2-O 3.15Å; T73-I147 VanDerWaalsContact CG2-C 3.48Å; T73-P148 HydrophobicContact CG2-CB 4.07Å; T73-P148 HydrophobicContact CG2-CG 4.45Å; T73-P148 VanDerWaalsContact CG2-N 3.34Å; T73-V172 HydrophobicContact CG2-CG2 4.05Å
74V79.9Confident82.4Confident22 Ų2265.4 Ų65.413%0.13334%0.339CS..SBendtrans-120.1141.7-175179.20000109.6F69 Q78 Q79F69-V74 HydrophobicContact CB-CG2 3.62Å; F69-V74 HydrophobicContact CD1-CG2 3.45Å; F69-V74 VanDerWaalsContact CD1-CG2 3.45Å; F69-V74 HydrophobicContact CD2-CG2 4.01Å; F69-V74 HydrophobicContact CE1-CG2 4.09Å; F69-V74 HydrophobicContact CG-CG2 3.41Å; F69-V74 VanDerWaalsContact CG-CG2 3.41Å; V74-Q78 HydrophobicContact CG1-CB 3.24Å; V74-Q78 HydrophobicContact CG1-CG 4.4Å; V74-Q79 HydrophobicContact CG1-CB 4.47Å
75T77.9Confident82.2Confident64 Ų6466.3 Ų66.339%0.39335%0.347SS..  trans-74.6157.7177.767.70000111.7E77 Q78 Q79T75-E77 PolarHBondContact O-N 3.5Å; T75-E77 VanDerWaalsContact O-N 3.12Å; T75-Q78 PolarHBondContact O-N 2.79Å; T75-Q78 VanDerWaalsContact OG1-CD 3.23Å; T75-Q78 VanDerWaalsContact OG1-CG 3.22Å; T75-Q78 WeakPolarHBondContact OG1-CG 3.39Å; T75-Q78 PolarHBondContact OG1-OE1 3.13Å; T75-Q79 PolarHBondContact O-N 2.98Å
76P75.1Confident81.9Confident98 Ų9869.5 Ų69.564%0.63636%0.362SS*.Hα-helixtrans-57.6-29.3-179.7-25.233.9000114.2
77E72.4Confident81.8Confident154 Ų15470.3 Ų70.372%0.7237%0.371SS*.Hα-helixtrans-73.4-39.2175.9-64.7-175.9175.600112.3T75T75-E77 PolarHBondContact O-N 3.5Å; T75-E77 VanDerWaalsContact O-N 3.12Å
78Q76Confident81.5Confident8 Ų871.7 Ų71.74%0.03738%0.377CS..Hα-helixtrans-71.7-34.4176.6-68.2168.6-15.500111.1V74 T75 K80 K81 A179 L182V74-Q78 HydrophobicContact CG1-CB 3.24Å; V74-Q78 HydrophobicContact CG1-CG 4.4Å; T75-Q78 PolarHBondContact O-N 2.79Å; T75-Q78 VanDerWaalsContact OG1-CD 3.23Å; T75-Q78 VanDerWaalsContact OG1-CG 3.22Å; T75-Q78 WeakPolarHBondContact OG1-CG 3.39Å; T75-Q78 PolarHBondContact OG1-OE1 3.13Å; Q78-K80 VanDerWaalsContact C-N 3.26Å; Q78-K80 PolarHBondContact O-N 3.39Å; Q78-K81 WeakPolarHBondContact O-CB 3.47Å; Q78-K81 PolarHBondContact O-N 2.86Å; Q78-A179 PolarHBondContact NE2-O 3.29Å; Q78-L182 HydrophobicContact CB-CB 4.3Å; Q78-L182 HydrophobicContact CB-CD1 4.39Å; Q78-L182 HydrophobicContact CG-CB 4.12Å
79Q77.2Confident81.5Confident97 Ų9777.4 Ų77.445%0.45340%0.404SS..Hα-helixtrans-61.1-33177-172.7167.917.600112.6V74 T75 K81 V82 T110V74-Q79 HydrophobicContact CG1-CB 4.47Å; T75-Q79 PolarHBondContact O-N 2.98Å; Q79-K81 PolarHBondContact O-N 2.96Å; Q79-V82 PolarHBondContact O-N 3.19Å; Q79-T110 HydrophobicContact CG-CG2 3.86Å
80K76.8Confident81.4Confident189 Ų18980 Ų8082%0.82242%0.416SS*.THydrogen-bonded Turntrans-67.6-17.9175.6-70.3179.8-178.6-179.80114Q78 V82Q78-K80 VanDerWaalsContact C-N 3.26Å; Q78-K80 PolarHBondContact O-N 3.39Å; K80-V82 VanDerWaalsContact C-N 3.34Å
81K78.1Confident81.4Confident122 Ų12284.9 Ų84.953%0.5344%0.441SS..THydrogen-bonded Turntrans-92.14.3178.6-63.9-173.3176.1-169.60113Q78 Q79 L182Q78-K81 WeakPolarHBondContact O-CB 3.47Å; Q78-K81 PolarHBondContact O-N 2.86Å; Q79-K81 PolarHBondContact O-N 2.96Å; K81-L182 HydrophobicContact CB-CD2 3.68Å
82V79.4Confident81.6Confident20 Ų2077.5 Ų77.512%0.12142%0.415CS..  trans-115.6134180177.30000106.9Q79 K80 Y108 T110 L182Q79-V82 PolarHBondContact O-N 3.19Å; K80-V82 VanDerWaalsContact C-N 3.34Å; V82-Y108 WeakPolarHBondContact CG1-O 3.44Å; V82-T110 HydrophobicContact CG1-CG2 4.3Å; V82-L182 HydrophobicContact CG2-CD2 3.96Å
83P78.1Confident82Confident117 Ų11779.3 Ų79.376%0.7643%0.425SS*.SBendcis-80.9147.215.832.2-35.5000114.9Y108P83-Y108 VanDerWaalsContact CA-O 3.23Å; P83-Y108 WeakPolarHBondContact CA-O 3.47Å
84L86.9Confident82Confident73 Ų7380.6 Ų80.638%0.38243%0.43SS..EExtended strand (participates in β ladder)trans-135.2138.9175.5175.770.1000108.6Y108 L186L84-Y108 HydrophobicContact CB-CD2 4.36Å; L84-Y108 HydrophobicContact CD2-CD2 4.38Å; L84-Y108 HydrophobicContact CG-CD2 4.44Å; L84-Y108 PolarHBondContact N-O 3.04Å; L84-Y108 WeakPolarHBondContact O-CD2 3.21Å; L84-Y108 PolarHBondContact O-N 2.95Å; L84-L186 HydrophobicContact CD2-CD1 3.95Å
85T88.1Confident82.1Confident78 Ų7884.1 Ų84.148%0.47945%0.449SS..EExtended strand (participates in β ladder)trans-113133.8171.5-53.10000109.5E105 T106 K107T85-E105 HydrophobicContact CG2-CG 3.82Å; T85-T106 CarbonylContact C-O 3.57Å; T85-T106 WeakPolarHBondContact CA-O 3.24Å; T85-K107 HydrophobicContact CG2-CG 3.99Å
86Q86.6Confident82.1Confident70 Ų7090.1 Ų90.133%0.32747%0.472SS..EExtended strand (participates in β ladder)trans-128.1127.6177-172-179.712.400110T106 Y108Q86-T106 PolarHBondContact N-O 2.91Å; Q86-T106 PolarHBondContact O-N 2.54Å; Q86-Y108 HydrophobicContact CB-CE2 4.06Å
87T88.9Confident82.5Confident67 Ų6789.4 Ų89.441%0.41146%0.463SS..EExtended strand (participates in β ladder)trans-100.9131.4174.1-48.60000109.4E89 R103 Y104T87-E89 HydrophobicContact CG2-CG 4.38Å; T87-R103 HydrophobicContact CG2-CG 3.87Å; T87-Y104 WeakPolarHBondContact CA-O 3.41Å
88Q86.6Confident83.2Confident28 Ų2882.3 Ų82.313%0.13143%0.43CS..EExtended strand (participates in β ladder)trans-118.8132.7171.6-65.1-179.630.300108.9R103 Y104 Q190Q88-R103 CarbonylContact O-C 3.5Å; Q88-R103 WeakPolarHBondContact O-CA 3.29Å; Q88-Y104 PolarHBondContact N-O 2.77Å; Q88-Y104 PolarHBondContact O-N 3.42Å; Q88-Q190 VanDerWaalsContact OE1-NE2 3.13Å
89E90.2Very high83.9Confident121 Ų12183.3 Ų83.357%0.56544%0.44SS*.EExtended strand (participates in β ladder)trans-122.1132177.9-67.9179.7178.800109.3T87 Y102 R103T87-E89 HydrophobicContact CG2-CG 4.38Å; E89-Y102 CarbonylContact C-O 3.55Å; E89-Y102 VanDerWaalsContact CA-O 3.29Å; E89-Y102 WeakPolarHBondContact CA-O 3.39Å; E89-R103 HydrophobicContact CG-CB 4.31Å; E89-R103 HydrophobicContact CG-CG 4.14Å
90E87.2Confident84.5Confident60 Ų6078.8 Ų78.828%0.2842%0.419SS..EExtended strand (participates in β ladder)trans-124.6116.2176.7-62.2-175.716500109.3K101 Y102 K194E90-K101 CarbonylContact O-C 3.56Å; E90-K101 WeakPolarHBondContact O-CA 3.43Å; E90-Y102 HydrophobicContact CB-CD2 4.46Å; E90-Y102 PolarHBondContact N-O 2.75Å; E90-Y102 PolarHBondContact O-N 2.89Å; E90-K194 IonicContact OE1-NZ 3.47Å; E90-K194 PolarHBondContact OE1-NZ 2.7Å
91D88.1Confident85.3Confident108 Ų10873.9 Ų73.958%0.57840%0.397SS*.EExtended strand (participates in β ladder)trans-96.7130.5179.5-74-16.3000110.7K101D91-K101 VanDerWaalsContact OD1-CD 3.22Å; D91-K101 WeakPolarHBondContact OD1-CD 3.45Å; D91-K101 WeakPolarHBondContact OD1-CE 3.48Å; D91-K101 WeakPolarHBondContact OD1-CG 3.3Å
92H85.8Confident86Confident57 Ų5768.2 Ų68.226%0.26437%0.373SS..EExtended strand (participates in β ladder)trans-131.4107.9180-63.6-85.4000110.3L100 Y102 H204H92-L100 HydrophobicContact CB-CB 4.28Å; H92-L100 PolarHBondContact N-O 3.04Å; H92-L100 PolarHBondContact O-N 2.85Å; H92-Y102 AromaticContact CD2-CD2 3.47Å; H92-Y102 VanDerWaalsContact CD2-CD2 3.47Å; H92-Y102 WeakPolarHBondContact CD2-CD2 3.45Å; H92-Y102 AromaticContact CD2-CE2 3.32Å; H92-Y102 WeakPolarHBondContact CD2-CE2 3.39Å; H92-Y102 AromaticContact NE2-CD2 3.57Å; H92-Y102 AromaticContact NE2-CE2 3.54Å; H92-H204 AromaticContact CG-CE1 3.84Å; H92-H204 AromaticContact CG-ND1 3.84Å; H92-H204 AromaticContact ND1-CE1 3.84Å; H92-H204 AromaticContact ND1-ND1 3.9Å
93A82.9Confident86.7Confident96 Ų9671 Ų7179%0.79338%0.381SS*.EExtended strand (participates in β ladder)trans-81.5123169.400000109.5
94I80.7Confident87.3Confident43 Ų4366.4 Ų66.422%0.22135%0.349CS..EExtended strand (participates in β ladder)trans-94.8-47.7177.1-62.3176.2000110.2T98 L100 T208 L211 V215I94-T98 HydrophobicContact CB-CG2 4.4Å; I94-T98 HydrophobicContact CD1-CG2 4.31Å; I94-T98 PolarHBondContact N-O 2.96Å; I94-L100 HydrophobicContact CD1-CD1 3.47Å; I94-L100 VanDerWaalsContact CD1-CD1 3.47Å; I94-L100 HydrophobicContact CD1-CG 3.67Å; I94-L100 HydrophobicContact CG1-CD1 4.42Å; I94-L100 HydrophobicContact CG1-CG 4.42Å; I94-T208 HydrophobicContact CD1-CG2 3.92Å; I94-T208 HydrophobicContact CG1-CG2 4.48Å; I94-L211 HydrophobicContact CD1-CD1 3.39Å; I94-V215 HydrophobicContact CG2-CB 4.41Å; I94-V215 HydrophobicContact CG2-CG1 3.89Å; I94-V215 HydrophobicContact CG2-CG2 3.96Å
95D80.6Confident87.6Confident97 Ų9765.1 Ų65.152%0.51934%0.341SS..EExtended strand (participates in β ladder)trans-152.5174.3179.6-163.57.1000109.7D97 T98D95-D97 PolarHBondContact O-N 2.89Å; D95-D97 VanDerWaalsContact O-N 3.17Å; D95-T98 PolarHBondContact N-O 3.45Å; D95-T98 PolarHBondContact O-N 2.93Å; D95-T98 VanDerWaalsContact O-N 3.08Å; D95-T98 VanDerWaalsContact O-O 3.09Å
96E79.3Confident87.7Confident189 Ų18961.5 Ų61.588%0.88332%0.318SS*.THydrogen-bonded Turntrans-54.8-35.6-178.3-64.6-170.5170.800113
97D83Confident88Confident83 Ų8362.1 Ų62.144%0.44432%0.32SS..THydrogen-bonded Turntrans-102.25.6-178.4-66.7-41.3000113.7K56 L57 D95 R214K56-D97 CarbonylContact C-O 3.51Å; L57-D97 PolarHBondContact N-O 2.82Å; D95-D97 PolarHBondContact O-N 2.89Å; D95-D97 VanDerWaalsContact O-N 3.17Å; D97-R214 PolarHBondContact O-NH2 3.48Å
98T86.3Confident88Confident5 Ų559.1 Ų59.13%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-139.4114.8-174.9-44.70000113.2L57 I94 D95 L211 R214L57-T98 WeakPolarHBondContact O-CA 3.33Å; I94-T98 HydrophobicContact CB-CG2 4.4Å; I94-T98 HydrophobicContact CD1-CG2 4.31Å; I94-T98 PolarHBondContact N-O 2.96Å; D95-T98 PolarHBondContact N-O 3.45Å; D95-T98 PolarHBondContact O-N 2.93Å; D95-T98 VanDerWaalsContact O-N 3.08Å; D95-T98 VanDerWaalsContact O-O 3.09Å; T98-L211 HydrophobicContact CG2-CD1 4.27Å; T98-R214 PolarHBondContact OG1-NH1 3.23Å
99A90.2Very high88.3Confident30 Ų3060.1 Ų60.125%0.24830%0.304CS..EExtended strand (participates in β ladder)trans-124.1137.5174.200000111.1L57 Q58 L59L57-A99 PolarHBondContact O-N 2.96Å; L57-A99 VanDerWaalsContact O-N 3.09Å; Q58-A99 WeakPolarHBondContact CA-O 3.35Å; Q58-A99 HydrophobicContact CG-CB 4.46Å; L59-A99 PolarHBondContact N-O 2.79Å
100L91.4Very high88.2Confident1 Ų156.7 Ų56.71%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-112.9136.1172.9-64.6-174.9000109.9L59 H92 I94 Y102 I207 L211L59-L100 HydrophobicContact CB-CD2 3.77Å; L59-L100 HydrophobicContact CD1-CD2 4.11Å; L59-L100 HydrophobicContact CG-CD2 4.42Å; L59-L100 CarbonylContact O-C 3.59Å; L59-L100 WeakPolarHBondContact O-CA 3.35Å; H92-L100 HydrophobicContact CB-CB 4.28Å; H92-L100 PolarHBondContact N-O 3.04Å; H92-L100 PolarHBondContact O-N 2.85Å; I94-L100 HydrophobicContact CD1-CD1 3.47Å; I94-L100 VanDerWaalsContact CD1-CD1 3.47Å; I94-L100 HydrophobicContact CD1-CG 3.67Å; I94-L100 HydrophobicContact CG1-CD1 4.42Å; I94-L100 HydrophobicContact CG1-CG 4.42Å; L100-Y102 HydrophobicContact CB-CE1 4.09Å; L100-Y102 HydrophobicContact CD1-CE1 4.22Å; L100-Y102 VanDerWaalsContact CD1-OH 3.26Å; L100-Y102 WeakPolarHBondContact CD1-OH 3.13Å; L100-I207 HydrophobicContact CD1-CB 4.45Å; L100-I207 HydrophobicContact CD1-CG2 3.56Å; L100-I207 HydrophobicContact CD2-CG2 4.38Å; L100-L211 HydrophobicContact CD1-CD1 4.01Å; L100-L211 HydrophobicContact CD2-CD1 4.14Å; L100-L211 HydrophobicContact CG-CD1 4.31Å
101K93.4Very high88.3Confident86 Ų8654.7 Ų54.737%0.37429%0.285SS..EExtended strand (participates in β ladder)trans-123.5131.6171.3-55.2-166.5168.6-176.30109.2L59 Q60 L61 E90 D91L59-K101 PolarHBondContact O-N 3.14Å; Q60-K101 CarbonylContact C-O 3.45Å; Q60-K101 VanDerWaalsContact CA-O 3.24Å; Q60-K101 WeakPolarHBondContact CA-O 3.39Å; Q60-K101 HydrophobicContact CB-CB 4.02Å; Q60-K101 HydrophobicContact CG-CB 4.14Å; L61-K101 PolarHBondContact N-O 2.66Å; E90-K101 CarbonylContact O-C 3.56Å; E90-K101 WeakPolarHBondContact O-CA 3.43Å; D91-K101 VanDerWaalsContact OD1-CD 3.22Å; D91-K101 WeakPolarHBondContact OD1-CD 3.45Å; D91-K101 WeakPolarHBondContact OD1-CE 3.48Å; D91-K101 WeakPolarHBondContact OD1-CG 3.3Å
102Y93.3Very high88.4Confident3 Ų353 Ų531%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-110.7119.9175.4-52.2-39.1000108.8L61 E89 E90 H92 L100 F202 H204 I207L61-Y102 HydrophobicContact CB-CD1 4.28Å; L61-Y102 HydrophobicContact CD1-CD1 4.42Å; L61-Y102 HydrophobicContact CD1-CE1 4.31Å; E89-Y102 CarbonylContact C-O 3.55Å; E89-Y102 VanDerWaalsContact CA-O 3.29Å; E89-Y102 WeakPolarHBondContact CA-O 3.39Å; E90-Y102 HydrophobicContact CB-CD2 4.46Å; E90-Y102 PolarHBondContact N-O 2.75Å; E90-Y102 PolarHBondContact O-N 2.89Å; H92-Y102 AromaticContact CD2-CD2 3.47Å; H92-Y102 VanDerWaalsContact CD2-CD2 3.47Å; H92-Y102 WeakPolarHBondContact CD2-CD2 3.45Å; H92-Y102 AromaticContact CD2-CE2 3.32Å; H92-Y102 WeakPolarHBondContact CD2-CE2 3.39Å; H92-Y102 AromaticContact NE2-CD2 3.57Å; H92-Y102 AromaticContact NE2-CE2 3.54Å; L100-Y102 HydrophobicContact CB-CE1 4.09Å; L100-Y102 HydrophobicContact CD1-CE1 4.22Å; L100-Y102 VanDerWaalsContact CD1-OH 3.26Å; L100-Y102 WeakPolarHBondContact CD1-OH 3.13Å; Y102-F202 HydrophobicContact CD1-CD2 4.35Å; Y102-F202 AromaticContact CD1-CE2 3.54Å; Y102-F202 HydrophobicContact CD1-CE2 3.54Å; Y102-F202 HydrophobicContact CD1-CZ 4.25Å; Y102-F202 HydrophobicContact CD2-CE2 4.41Å; Y102-F202 HydrophobicContact CE1-CD2 4.41Å; Y102-F202 HydrophobicContact CE1-CE2 4.02Å; Y102-F202 AromaticContact CG-CE2 3.77Å; Y102-F202 HydrophobicContact CG-CE2 3.77Å; Y102-H204 HydrophobicContact CE2-CB 4.15Å; Y102-H204 AromaticContact CE2-ND1 3.76Å; Y102-H204 AromaticContact CZ-ND1 3.81Å; Y102-H204 PolarHBondContact OH-ND1 3.42Å; Y102-I207 HydrophobicContact CE1-CG2 4.47Å
103R93.1Very high88.4Confident80 Ų8057.7 Ų57.730%0.30230%0.304SS..EExtended strand (participates in β ladder)trans-112.1121.7177.9179.6173.6163.5179.4-7.6109.3Q60 L61 S62 A63 T87 Q88 E89 E105Q60-R103 HydrophobicContact CG-CB 4.43Å; L61-R103 PolarHBondContact O-N 3.2Å; S62-R103 CarbonylContact C-O 3.56Å; S62-R103 VanDerWaalsContact CA-O 3.24Å; S62-R103 WeakPolarHBondContact CA-O 3.48Å; A63-R103 PolarHBondContact N-O 3.02Å; T87-R103 HydrophobicContact CG2-CG 3.87Å; Q88-R103 CarbonylContact O-C 3.5Å; Q88-R103 WeakPolarHBondContact O-CA 3.29Å; E89-R103 HydrophobicContact CG-CB 4.31Å; E89-R103 HydrophobicContact CG-CG 4.14Å; R103-E105 IonicContact NH2-OE2 2.76Å
104Y91.4Very high88.7Confident20 Ų2059.1 Ų59.18%0.07830%0.296CS..EExtended strand (participates in β ladder)trans-113.8116.9176.1-55.5-77.5000109.3A63 T87 Q88 L197 F202A63-Y104 HydrophobicContact CB-CD1 4Å; A63-Y104 HydrophobicContact CB-CE1 4.3Å; A63-Y104 WeakPolarHBondContact O-CA 3.37Å; T87-Y104 WeakPolarHBondContact CA-O 3.41Å; Q88-Y104 PolarHBondContact N-O 2.77Å; Q88-Y104 PolarHBondContact O-N 3.42Å; Y104-L197 HydrophobicContact CD1-CD1 3.81Å; Y104-L197 HydrophobicContact CD1-CD2 4.22Å; Y104-L197 HydrophobicContact CE1-CD1 4.12Å; Y104-L197 HydrophobicContact CE1-CD2 4.39Å; Y104-L197 HydrophobicContact CG-CD1 4.19Å; Y104-F202 HydrophobicContact CE1-CE2 4.21Å; Y104-F202 AromaticContact CE1-CZ 3.89Å; Y104-F202 HydrophobicContact CE1-CZ 3.89Å; Y104-F202 VanDerWaalsContact OH-CE2 3.29Å; Y104-F202 WeakPolarHBondContact OH-CE2 3.26Å
105E91.8Very high89.1Confident45 Ų4557.4 Ų57.421%0.2129%0.287CS..EExtended strand (participates in β ladder)trans-99.5104.3175.4-171.7171.1145.700109.2A63 V65 T85 R103 K107A63-E105 PolarHBondContact O-N 3.11Å; V65-E105 PolarHBondContact N-O 3.27Å; T85-E105 HydrophobicContact CG2-CG 3.82Å; R103-E105 IonicContact NH2-OE2 2.76Å; E105-K107 WeakPolarHBondContact OE1-CE 2.9Å; E105-K107 IonicContact OE1-NZ 2.74Å
106T91.1Very high89.4Confident2 Ų254.5 Ų54.51%0.01227%0.27CS..EExtended strand (participates in β ladder)trans-100117.3-177.7-50.20000111.2V65 V67 T85 Q86 Y108V65-T106 HydrophobicContact CB-CG2 4.3Å; V65-T106 HydrophobicContact CG1-CG2 4.34Å; V65-T106 CarbonylContact O-C 3.59Å; V65-T106 WeakPolarHBondContact O-CA 3.42Å; V67-T106 HydrophobicContact CG2-CG2 3.62Å; T85-T106 CarbonylContact C-O 3.57Å; T85-T106 WeakPolarHBondContact CA-O 3.24Å; Q86-T106 PolarHBondContact N-O 2.91Å; Q86-T106 PolarHBondContact O-N 2.54Å; T106-Y108 HydrophobicContact CG2-CD1 4.49Å; T106-Y108 HydrophobicContact CG2-CD2 4.38Å; T106-Y108 HydrophobicContact CG2-CE1 3.87Å; T106-Y108 HydrophobicContact CG2-CE2 3.77Å; T106-Y108 VanDerWaalsContact CG2-CZ 3.48Å
107K92Very high89.8Confident83 Ų8350.6 Ų50.636%0.36126%0.255SS..EExtended strand (participates in β ladder)trans-102.1117176.1-66.4172.4-174.5160.20109.3V65 E66 V67 T85 E105V65-K107 PolarHBondContact O-N 2.98Å; E66-K107 CarbonylContact C-O 3.57Å; E66-K107 WeakPolarHBondContact CA-O 3.39Å; V67-K107 PolarHBondContact N-O 3.39Å; T85-K107 HydrophobicContact CG2-CG 3.99Å; E105-K107 WeakPolarHBondContact OE1-CE 2.9Å; E105-K107 IonicContact OE1-NZ 2.74Å
108Y90.2Very high90Very high5 Ų546.8 Ų46.82%0.0224%0.235CC..EExtended strand (participates in β ladder)trans-93.9127.1176.6-61.6-81.2000109.5V67 F69 V82 P83 L84 Q86 T106 L186V67-Y108 HydrophobicContact CB-CD1 3.57Å; V67-Y108 HydrophobicContact CB-CE1 3.8Å; V67-Y108 HydrophobicContact CG1-CD1 3.83Å; V67-Y108 HydrophobicContact CG1-CE1 4Å; V67-Y108 HydrophobicContact CG2-CD1 4.15Å; V67-Y108 HydrophobicContact CG2-CE1 3.87Å; V67-Y108 WeakPolarHBondContact O-CA 3.21Å; F69-Y108 AromaticContact CE2-CD1 3.85Å; F69-Y108 HydrophobicContact CE2-CD1 3.85Å; F69-Y108 HydrophobicContact CE2-CG 4.43Å; F69-Y108 AromaticContact CZ-CD1 3.99Å; F69-Y108 HydrophobicContact CZ-CD1 3.99Å; V82-Y108 WeakPolarHBondContact CG1-O 3.44Å; P83-Y108 VanDerWaalsContact CA-O 3.23Å; P83-Y108 WeakPolarHBondContact CA-O 3.47Å; L84-Y108 HydrophobicContact CB-CD2 4.36Å; L84-Y108 HydrophobicContact CD2-CD2 4.38Å; L84-Y108 HydrophobicContact CG-CD2 4.44Å; L84-Y108 PolarHBondContact N-O 3.04Å; L84-Y108 WeakPolarHBondContact O-CD2 3.21Å; L84-Y108 PolarHBondContact O-N 2.95Å; Q86-Y108 HydrophobicContact CB-CE2 4.06Å; T106-Y108 HydrophobicContact CG2-CD1 4.49Å; T106-Y108 HydrophobicContact CG2-CD2 4.38Å; T106-Y108 HydrophobicContact CG2-CE1 3.87Å; T106-Y108 HydrophobicContact CG2-CE2 3.77Å; T106-Y108 VanDerWaalsContact CG2-CZ 3.48Å; Y108-L186 HydrophobicContact CD1-CD2 3.64Å; Y108-L186 HydrophobicContact CE1-CD2 3.3Å; Y108-L186 HydrophobicContact CE2-CD1 4.35Å; Y108-L186 HydrophobicContact CE2-CD2 4.22Å; Y108-L186 HydrophobicContact CG-CD2 4.25Å
109R91.4Very high90Very high49 Ų4947 Ų4719%0.18524%0.236CC..EExtended strand (participates in β ladder)trans-140.8170.8173.468.4169.4174.889.81.1112.2E66 V67 V68 F69 E115E66-R109 HydrophobicContact CG-CG 4.33Å; E66-R109 VanDerWaalsContact OE1-CD 3.26Å; E66-R109 WeakPolarHBondContact OE1-CD 3.24Å; E66-R109 IonicContact OE1-CZ 3.28Å; E66-R109 IonicContact OE1-NE 2.77Å; E66-R109 PolarHBondContact OE1-NE 2.9Å; E66-R109 IonicContact OE1-NH2 3.3Å; E66-R109 IonicContact OE2-CZ 3.01Å; E66-R109 IonicContact OE2-NE 3.97Å; E66-R109 PolarHBondContact OE2-NE 2.86Å; E66-R109 IonicContact OE2-NH2 2.68Å; E66-R109 PolarHBondContact OE2-NH2 3.34Å; V67-R109 PolarHBondContact O-N 2.87Å; V68-R109 WeakPolarHBondContact CA-O 3.26Å; V68-R109 HydrophobicContact CG1-CG 4.43Å; V68-R109 HydrophobicContact CG2-CG 3.99Å; V68-R109 VanDerWaalsContact CG2-CZ 3.45Å; F69-R109 WeakPolarHBondContact CD2-O 3.35Å; F69-R109 PolarHBondContact N-O 3.34Å; R109-E115 IonicContact CZ-OE1 2.64Å; R109-E115 VanDerWaalsContact CZ-OE1 3.3Å; R109-E115 IonicContact CZ-OE2 3.19Å; R109-E115 VanDerWaalsContact NH1-CD 3.3Å; R109-E115 IonicContact NH1-OE1 3.8Å; R109-E115 PolarHBondContact NH1-OE1 3.21Å; R109-E115 IonicContact NH1-OE2 3.44Å; R109-E115 PolarHBondContact NH1-OE2 3.46Å; R109-E115 IonicContact NH2-OE1 3.71Å; R109-E115 PolarHBondContact NH2-OE1 2.85Å; R109-E115 IonicContact NH2-OE2 3.96Å
110T89.4Confident89.9Confident48 Ų4851.5 Ų51.529%0.29426%0.256SS..EExtended strand (participates in β ladder)trans-97.1150.8169.853.30000110.8F69 Q79 V82F69-T110 HydrophobicContact CB-CG2 4.42Å; Q79-T110 HydrophobicContact CG-CG2 3.86Å; V82-T110 HydrophobicContact CG1-CG2 4.3Å
111A88.5Confident89.7Confident18 Ų1855.1 Ų55.115%0.14927%0.272CS..PPolyproline II helixtrans-64.7142.3-18000000111.5V68 F69 E115 E116V68-A111 VanDerWaalsContact CG1-CA 3.44Å; V68-A111 HydrophobicContact CG1-CB 3.71Å; F69-A111 PolarHBondContact O-N 3.22Å; A111-E115 HydrophobicContact CB-CB 4.35Å; A111-E116 HydrophobicContact CB-CG 4.08Å; A111-E116 VanDerWaalsContact CB-OE1 3.27Å; A111-E116 WeakPolarHBondContact CB-OE1 3.47Å
112T89.7Confident89.2Confident72 Ų7255.5 Ų55.544%0.44228%0.283SS..PPolyproline II helixtrans-77.8162.4171.9630000110.7M114 E115 E116T112-M114 PolarHBondContact O-N 3.31Å; T112-E115 WeakPolarHBondContact CB-OE2 3.33Å; T112-E115 PolarHBondContact N-OE2 2.9Å; T112-E115 PolarHBondContact O-N 2.92Å; T112-E115 VanDerWaalsContact O-N 3.13Å; T112-E115 VanDerWaalsContact OG1-CD 3.26Å; T112-E115 VanDerWaalsContact OG1-CG 3.28Å; T112-E115 WeakPolarHBondContact OG1-CG 3.39Å; T112-E115 PolarHBondContact OG1-N 2.9Å; T112-E115 PolarHBondContact OG1-OE2 3.09Å; T112-E116 WeakPolarHBondContact O-CG 3.39Å; T112-E116 PolarHBondContact O-N 2.97Å
113I87.4Confident88.9Confident156 Ų15658.2 Ų58.280%0.830%0.3SS*.Hα-helixtrans-58.2-35.7-179.2-58.9169.8000111.7D117I113-D117 PolarHBondContact O-N 3.24Å
114M87.9Confident88.5Confident126 Ų12654.9 Ų54.962%0.62129%0.29SS*.Hα-helixtrans-71.8-39.5178.9-63178.275.200112.1T112 E116 D117 A118 L134T112-M114 PolarHBondContact O-N 3.31Å; M114-E116 VanDerWaalsContact C-N 3.33Å; M114-D117 PolarHBondContact O-N 2.79Å; M114-A118 PolarHBondContact O-N 3.35Å; M114-A118 VanDerWaalsContact O-N 3.08Å; M114-L134 HydrophobicContact CB-CD1 4.04Å; M114-L134 HydrophobicContact CB-CD2 4Å; M114-L134 HydrophobicContact CE-CD2 3.38Å; M114-L134 WeakPolarHBondContact O-CD1 3.32Å; M114-L134 HydrophobicContact SD-CD2 4.34Å
115E88.9Confident88.3Confident8 Ų856.5 Ų56.54%0.03731%0.307CS..Hα-helixtrans-67.2-35.7175.3-69.9164.6143.900111.5R109 A111 T112 D117 A118 L119 L131 L134 Y145R109-E115 IonicContact CZ-OE1 2.64Å; R109-E115 VanDerWaalsContact CZ-OE1 3.3Å; R109-E115 IonicContact CZ-OE2 3.19Å; R109-E115 VanDerWaalsContact NH1-CD 3.3Å; R109-E115 IonicContact NH1-OE1 3.8Å; R109-E115 PolarHBondContact NH1-OE1 3.21Å; R109-E115 IonicContact NH1-OE2 3.44Å; R109-E115 PolarHBondContact NH1-OE2 3.46Å; R109-E115 IonicContact NH2-OE1 3.71Å; R109-E115 PolarHBondContact NH2-OE1 2.85Å; R109-E115 IonicContact NH2-OE2 3.96Å; A111-E115 HydrophobicContact CB-CB 4.35Å; T112-E115 WeakPolarHBondContact CB-OE2 3.33Å; T112-E115 PolarHBondContact N-OE2 2.9Å; T112-E115 PolarHBondContact O-N 2.92Å; T112-E115 VanDerWaalsContact O-N 3.13Å; T112-E115 VanDerWaalsContact OG1-CD 3.26Å; T112-E115 VanDerWaalsContact OG1-CG 3.28Å; T112-E115 WeakPolarHBondContact OG1-CG 3.39Å; T112-E115 PolarHBondContact OG1-N 2.9Å; T112-E115 PolarHBondContact OG1-OE2 3.09Å; E115-D117 VanDerWaalsContact C-N 3.35Å; E115-A118 WeakPolarHBondContact O-CB 3.05Å; E115-A118 PolarHBondContact O-N 2.88Å; E115-L119 WeakPolarHBondContact O-CG 3.46Å; E115-L119 PolarHBondContact O-N 3.11Å; E115-L131 HydrophobicContact CB-CD2 3.99Å; E115-L131 HydrophobicContact CG-CD2 4.11Å; E115-L134 HydrophobicContact CG-CD1 4.48Å; E115-Y145 HydrophobicContact CB-CE1 4.37Å; E115-Y145 HydrophobicContact CG-CE1 4.27Å; E115-Y145 PolarHBondContact OE1-OH 3.31Å
116E87Confident88Confident35 Ų3558.6 Ų58.616%0.16432%0.317CS..Hα-helixtrans-61.4-42.2172.7-70.1-69.5167.400111.9A70 R71 A111 T112 M114 A118 L119 N120A70-E116 VanDerWaalsContact CA-OE1 3.28Å; A70-E116 WeakPolarHBondContact CA-OE1 3.39Å; R71-E116 WeakPolarHBondContact CB-OE1 3.25Å; R71-E116 PolarHBondContact N-OE1 2.87Å; R71-E116 PolarHBondContact N-OE2 3.33Å; A111-E116 HydrophobicContact CB-CG 4.08Å; A111-E116 VanDerWaalsContact CB-OE1 3.27Å; A111-E116 WeakPolarHBondContact CB-OE1 3.47Å; T112-E116 WeakPolarHBondContact O-CG 3.39Å; T112-E116 PolarHBondContact O-N 2.97Å; M114-E116 VanDerWaalsContact C-N 3.33Å; E116-A118 VanDerWaalsContact C-N 3.3Å; E116-A118 PolarHBondContact O-N 3.37Å; E116-L119 PolarHBondContact O-N 2.82Å; E116-N120 PolarHBondContact O-N 2.7Å; E116-N120 VanDerWaalsContact O-N 3.11Å; E116-N120 PolarHBondContact O-ND2 2.92Å
117D87.7Confident87.8Confident107 Ų10758.5 Ų58.557%0.57232%0.317SS*.Hα-helixtrans-64.6-36.5175.5-166.140.9000111.7I113 M114 E115 N120I113-D117 PolarHBondContact O-N 3.24Å; M114-D117 PolarHBondContact O-N 2.79Å; E115-D117 VanDerWaalsContact C-N 3.35Å; D117-N120 PolarHBondContact O-N 3.11Å
118A87.5Confident87.6Confident3 Ų355 Ų553%0.02530%0.301CS..Hα-helixtrans-67-34172.700000113.1M114 E115 E116 N120 K121 A127 L131 L134M114-A118 PolarHBondContact O-N 3.35Å; M114-A118 VanDerWaalsContact O-N 3.08Å; E115-A118 WeakPolarHBondContact O-CB 3.05Å; E115-A118 PolarHBondContact O-N 2.88Å; E116-A118 VanDerWaalsContact C-N 3.3Å; E116-A118 PolarHBondContact O-N 3.37Å; A118-N120 VanDerWaalsContact C-N 3.27Å; A118-N120 PolarHBondContact O-N 3.39Å; A118-K121 WeakPolarHBondContact O-CB 3.29Å; A118-K121 WeakPolarHBondContact O-CG 3.48Å; A118-K121 PolarHBondContact O-N 2.62Å; A118-A127 WeakPolarHBondContact O-CB 3.35Å; A118-L131 HydrophobicContact CB-CD2 3.67Å; A118-L131 HydrophobicContact CB-CG 3.92Å; A118-L134 HydrophobicContact CB-CD1 3.91Å
119L87.7Confident87.5Confident9 Ų959.5 Ų59.55%0.04733%0.325CS..Hα-helixtrans-75-13.7174.2-70.2172000113.3A70 E115 E116 K121 L131 Y145 I147 L153 L169A70-L119 HydrophobicContact CB-CD1 3.66Å; E115-L119 WeakPolarHBondContact O-CG 3.46Å; E115-L119 PolarHBondContact O-N 3.11Å; E116-L119 PolarHBondContact O-N 2.82Å; L119-K121 VanDerWaalsContact C-N 3.31Å; L119-L131 HydrophobicContact CD2-CD1 3.88Å; L119-L131 HydrophobicContact CG-CD2 4.46Å; L119-Y145 HydrophobicContact CD1-CD1 4.35Å; L119-I147 HydrophobicContact CD1-CG2 4.5Å; L119-I147 HydrophobicContact CD2-CG2 3.95Å; L119-L153 HydrophobicContact CD2-CD1 4.24Å; L119-L153 VanDerWaalsContact O-CD1 3.3Å; L119-L153 WeakPolarHBondContact O-CD1 3.36Å; L119-L169 HydrophobicContact CD2-CD2 3.82Å
120N86.4Confident87.3Confident126 Ų12658.8 Ų58.867%0.67433%0.328SS*.THydrogen-bonded Turntrans-89.56.2175.2-69.4-43.8000113.5E116 D117 A118E116-N120 PolarHBondContact O-N 2.7Å; E116-N120 VanDerWaalsContact O-N 3.11Å; E116-N120 PolarHBondContact O-ND2 2.92Å; D117-N120 PolarHBondContact O-N 3.11Å; A118-N120 VanDerWaalsContact C-N 3.27Å; A118-N120 PolarHBondContact O-N 3.39Å
121K88.1Confident87.2Confident76 Ų7656.5 Ų56.533%0.3331%0.314SS..SBendtrans-63.8154.8175-67.7-64.9179.7-169.70111.7A118 L119 T123 E126 A127 L153A118-K121 WeakPolarHBondContact O-CB 3.29Å; A118-K121 WeakPolarHBondContact O-CG 3.48Å; A118-K121 PolarHBondContact O-N 2.62Å; L119-K121 VanDerWaalsContact C-N 3.31Å; K121-T123 VanDerWaalsContact C-N 3.33Å; K121-T123 PolarHBondContact O-N 2.9Å; K121-E126 HydrophobicContact CB-CB 4.17Å; K121-A127 HydrophobicContact CB-CB 4.32Å; K121-L153 WeakPolarHBondContact O-CD2 3.32Å
122P82.8Confident87Confident94 Ų9458 Ų5861%0.6132%0.318SS*.SBendtrans-71-26.7-174.228.1-35.9000113.5E126P122-E126 WeakPolarHBondContact CD-OE2 3.4Å; P122-E126 VanDerWaalsContact CG-OE2 3.24Å; P122-E126 WeakPolarHBondContact CG-OE2 3.38Å
123T86.8Confident86.9Confident60 Ų6060 Ų6037%0.36833%0.33SS..SBendtrans-128.2146.5-177.867.10000111.8K121 A125 E126 A127K121-T123 VanDerWaalsContact C-N 3.33Å; K121-T123 PolarHBondContact O-N 2.9Å; T123-A125 PolarHBondContact O-N 3.08Å; T123-E126 PolarHBondContact O-N 3.08Å; T123-E126 WeakPolarHBondContact OG1-CB 3.24Å; T123-E126 VanDerWaalsContact OG1-CG 3.27Å; T123-E126 WeakPolarHBondContact OG1-CG 3.15Å; T123-E126 PolarHBondContact OG1-N 2.96Å; T123-E126 PolarHBondContact OG1-OE1 3.39Å; T123-A127 PolarHBondContact O-N 3.23Å
124A85.8Confident86.7Confident10 Ų1055.8 Ų55.88%0.08331%0.309CS..Hα-helixtrans-59-30.6176.700000113.2D128 L154 Y161 L169A124-D128 PolarHBondContact O-N 3.46Å; A124-L154 HydrophobicContact CB-CD2 4.05Å; A124-Y161 HydrophobicContact CB-CD1 3.79Å; A124-Y161 HydrophobicContact CB-CD2 4.28Å; A124-Y161 HydrophobicContact CB-CE1 3.65Å; A124-Y161 HydrophobicContact CB-CE2 4.17Å; A124-Y161 HydrophobicContact CB-CG 4.09Å; A124-L169 HydrophobicContact CB-CD1 4.01Å
125A85.9Confident86.1Confident54 Ų5451 Ų5145%0.44629%0.288SS..Hα-helixtrans-71.4-40177.700000112.6T123 A127 D128 L129T123-A125 PolarHBondContact O-N 3.08Å; A125-A127 VanDerWaalsContact C-N 3.34Å; A125-D128 PolarHBondContact O-N 3.37Å; A125-L129 PolarHBondContact O-N 2.77Å; A125-L129 VanDerWaalsContact O-N 3.13Å
126E86.9Confident85.3Confident90 Ų9059.4 Ų59.442%0.42133%0.327SS..Hα-helixtrans-69.3-35.1174.2-74.1169.6-139.900111.9K121 P122 T123 S130K121-E126 HydrophobicContact CB-CB 4.17Å; P122-E126 WeakPolarHBondContact CD-OE2 3.4Å; P122-E126 VanDerWaalsContact CG-OE2 3.24Å; P122-E126 WeakPolarHBondContact CG-OE2 3.38Å; T123-E126 PolarHBondContact O-N 3.08Å; T123-E126 WeakPolarHBondContact OG1-CB 3.24Å; T123-E126 VanDerWaalsContact OG1-CG 3.27Å; T123-E126 WeakPolarHBondContact OG1-CG 3.15Å; T123-E126 PolarHBondContact OG1-N 2.96Å; T123-E126 PolarHBondContact OG1-OE1 3.39Å; E126-S130 WeakPolarHBondContact O-CB 3.41Å; E126-S130 PolarHBondContact O-N 3.03Å; E126-S130 PolarHBondContact O-OG 3.3Å
127A86.9Confident85Confident0 Ų058.1 Ų58.10%032%0.322CS..Hα-helixtrans-62.4-49.1172.700000111.1A118 K121 T123 A125 L129 S130 L131 L153A118-A127 WeakPolarHBondContact O-CB 3.35Å; K121-A127 HydrophobicContact CB-CB 4.32Å; T123-A127 PolarHBondContact O-N 3.23Å; A125-A127 VanDerWaalsContact C-N 3.34Å; A127-L129 VanDerWaalsContact C-N 3.34Å; A127-L129 PolarHBondContact O-N 3.21Å; A127-S130 PolarHBondContact O-N 3.42Å; A127-L131 WeakPolarHBondContact O-CB 3.22Å; A127-L131 WeakPolarHBondContact O-CG 3.35Å; A127-L131 PolarHBondContact O-N 2.98Å; A127-L153 HydrophobicContact CB-CD2 4.31Å
128D87.1Confident84.8Confident8 Ų857 Ų574%0.04332%0.32CS..Hα-helixtrans-54.7-48.2175.7178.532.1000111.7A124 A125 S130 L131 H132 G163 Q164 R165 T167A124-D128 PolarHBondContact O-N 3.46Å; A125-D128 PolarHBondContact O-N 3.37Å; D128-S130 PolarHBondContact O-N 2.74Å; D128-L131 PolarHBondContact O-N 3.27Å; D128-H132 WeakPolarHBondContact O-CB 3.39Å; D128-H132 PolarHBondContact O-N 3.43Å; D128-G163 VanDerWaalsContact OD2-CA 3.3Å; D128-G163 WeakPolarHBondContact OD2-CA 3.48Å; D128-Q164 PolarHBondContact OD2-N 3.37Å; D128-R165 WeakPolarHBondContact OD1-CB 3.04Å; D128-R165 PolarHBondContact OD2-N 2.68Å; D128-T167 WeakPolarHBondContact OD1-CG2 3.31Å; D128-T167 PolarHBondContact OD1-OG1 3Å
129L87.3Confident84.7Confident100 Ų10058.8 Ų58.852%0.52433%0.332SS..Hα-helixtrans-61.4-44.8178-177.163.6000112.2A125 A127 H132 V133A125-L129 PolarHBondContact O-N 2.77Å; A125-L129 VanDerWaalsContact O-N 3.13Å; A127-L129 VanDerWaalsContact C-N 3.34Å; A127-L129 PolarHBondContact O-N 3.21Å; L129-H132 PolarHBondContact O-N 2.82Å; L129-V133 WeakPolarHBondContact O-CG2 3.44Å; L129-V133 PolarHBondContact O-N 3.37Å
130S88Confident84.5Confident35 Ų3558.7 Ų58.725%0.24533%0.333CS..Hα-helixtrans-66.9-42.2-179.2-57.50000111.5E126 A127 D128 V133 L134E126-S130 WeakPolarHBondContact O-CB 3.41Å; E126-S130 PolarHBondContact O-N 3.03Å; E126-S130 PolarHBondContact O-OG 3.3Å; A127-S130 PolarHBondContact O-N 3.42Å; D128-S130 PolarHBondContact O-N 2.74Å; S130-V133 PolarHBondContact O-N 2.86Å; S130-L134 WeakPolarHBondContact O-CG 3.25Å; S130-L134 PolarHBondContact O-N 3.04Å
131L87.4Confident84.6Confident0 Ų053.3 Ų53.30%031%0.305CS..Hα-helixtrans-65.7-38.4178.2-69.9168.1000111.9E115 A118 L119 A127 D128 V133 L134 S135 Y145 L169E115-L131 HydrophobicContact CB-CD2 3.99Å; E115-L131 HydrophobicContact CG-CD2 4.11Å; A118-L131 HydrophobicContact CB-CD2 3.67Å; A118-L131 HydrophobicContact CB-CG 3.92Å; L119-L131 HydrophobicContact CD2-CD1 3.88Å; L119-L131 HydrophobicContact CG-CD2 4.46Å; A127-L131 WeakPolarHBondContact O-CB 3.22Å; A127-L131 WeakPolarHBondContact O-CG 3.35Å; A127-L131 PolarHBondContact O-N 2.98Å; D128-L131 PolarHBondContact O-N 3.27Å; L131-V133 VanDerWaalsContact C-N 3.33Å; L131-V133 PolarHBondContact O-N 2.89Å; L131-L134 PolarHBondContact O-N 3.11Å; L131-S135 PolarHBondContact O-N 3.07Å; L131-Y145 HydrophobicContact CB-CE2 4.19Å; L131-Y145 HydrophobicContact CD1-CD2 3.81Å; L131-Y145 HydrophobicContact CD1-CE2 3.79Å; L131-Y145 HydrophobicContact CD1-CG 4.19Å; L131-Y145 HydrophobicContact CD2-CD1 4.37Å; L131-Y145 HydrophobicContact CD2-CE1 3.81Å; L131-Y145 HydrophobicContact CD2-CE2 4.2Å; L131-Y145 HydrophobicContact CG-CE2 4.28Å; L131-L169 HydrophobicContact CD1-CD2 4.08Å
132H84.9Confident84.8Confident48 Ų4850 Ų5022%0.22229%0.291CS..Hα-helixtrans-64.5-36.6175.9179.255.5000112.9D128 L129 L134 S135 R165D128-H132 WeakPolarHBondContact O-CB 3.39Å; D128-H132 PolarHBondContact O-N 3.43Å; L129-H132 PolarHBondContact O-N 2.82Å; H132-L134 VanDerWaalsContact C-N 3.26Å; H132-L134 PolarHBondContact O-N 2.87Å; H132-S135 CarbonylContact O-C 3.54Å; H132-R165 HydrophobicContact CB-CB 4.29Å; H132-R165 HydrophobicContact CB-CG 3.97Å
133V86.2Confident85.3Confident114 Ų11445.7 Ų45.769%0.69126%0.263SS*.Hα-helixtrans-67.3-30.4175.8172.90000111.7L129 S130 L131L129-V133 WeakPolarHBondContact O-CG2 3.44Å; L129-V133 PolarHBondContact O-N 3.37Å; S130-V133 PolarHBondContact O-N 2.86Å; L131-V133 VanDerWaalsContact C-N 3.33Å; L131-V133 PolarHBondContact O-N 2.89Å
134L84.3Confident85.5Confident69 Ų6942.9 Ų42.936%0.36125%0.246SC..Hα-helixtrans-82.8-30.5-179.3-66.9171.1000113.3M114 E115 A118 S130 L131 H132M114-L134 HydrophobicContact CB-CD1 4.04Å; M114-L134 HydrophobicContact CB-CD2 4Å; M114-L134 HydrophobicContact CE-CD2 3.38Å; M114-L134 WeakPolarHBondContact O-CD1 3.32Å; M114-L134 HydrophobicContact SD-CD2 4.34Å; E115-L134 HydrophobicContact CG-CD1 4.48Å; A118-L134 HydrophobicContact CB-CD1 3.91Å; S130-L134 WeakPolarHBondContact O-CG 3.25Å; S130-L134 PolarHBondContact O-N 3.04Å; L131-L134 PolarHBondContact O-N 3.11Å; H132-L134 VanDerWaalsContact C-N 3.26Å; H132-L134 PolarHBondContact O-N 2.87Å
135S74.3Confident85.8Confident25 Ų2542.5 Ų42.518%0.17524%0.242CC..  trans-131.4105.3-177178.40000110.6L131 H132 S137L131-S135 PolarHBondContact O-N 3.07Å; H132-S135 CarbonylContact O-C 3.54Å; S135-S137 PolarHBondContact O-N 2.86Å; S135-S137 VanDerWaalsContact O-N 3.14Å
136E72.9Confident86Confident185 Ų18540 Ų4086%0.86422%0.221SC*.  trans-77.597.5171.6-167.5173.3-168.200109.8
137S79.5Confident86.1Confident8 Ų835.8 Ų35.86%0.05620%0.202CC..PPolyproline II helixtrans-80.1125.8178.2-53.80000110.9S135 V143 R166S135-S137 PolarHBondContact O-N 2.86Å; S135-S137 VanDerWaalsContact O-N 3.14Å; S137-V143 VanDerWaalsContact OG-CG2 3.25Å; S137-V143 WeakPolarHBondContact OG-CG2 3.47Å; S137-R166 PolarHBondContact O-NH1 3.45Å
138P84.2Confident86Confident84 Ų8436.9 Ų36.955%0.54521%0.209SC..PPolyproline II helixtrans-61.3158176.724.1-32.2000112.1G140 S141 R166P138-G140 PolarHBondContact O-N 2.86Å; P138-S141 WeakPolarHBondContact CD-OG 3.49Å; P138-S141 WeakPolarHBondContact CG-OG 3.48Å; P138-S141 WeakPolarHBondContact O-CB 3.44Å; P138-S141 PolarHBondContact O-N 2.89Å; P138-S141 VanDerWaalsContact O-N 3.11Å; P138-S141 PolarHBondContact O-OG 2.86Å; P138-R166 WeakPolarHBondContact O-CD 3.44Å
139C84.6Confident85.6Confident40 Ų4040.8 Ų40.827%0.2723%0.227SC..THydrogen-bonded Turntrans-59131.2178.5-58.60000111.4S141 R166 K496C139-S141 VanDerWaalsContact C-N 3.3Å; C139-R166 PolarHBondContact SG-NH2 3.42Å; C139-R166 VanDerWaalsContact SG-NH2 3.37Å; C139-K496 HydrophobicContact CB-CB 4.5Å
140G83.3Confident85.1Confident6 Ų640.9 Ų40.96%0.06224%0.236CC..THydrogen-bonded Turntrans86.2-6.4-177.600000114.8P138 D435P138-G140 PolarHBondContact O-N 2.86Å; G140-D435 PolarHBondContact N-OD2 3.36Å
141S90.6Very high84.8Confident13 Ų1340.3 Ų40.39%0.09123%0.232CC..  trans-93.3153.8173.472.50000112.6D64 P138 C139 R166D64-S141 CarbonylContact O-C 3.43Å; D64-S141 VanDerWaalsContact O-CA 3.26Å; D64-S141 WeakPolarHBondContact O-CA 3.5Å; P138-S141 WeakPolarHBondContact CD-OG 3.49Å; P138-S141 WeakPolarHBondContact CG-OG 3.48Å; P138-S141 WeakPolarHBondContact O-CB 3.44Å; P138-S141 PolarHBondContact O-N 2.89Å; P138-S141 VanDerWaalsContact O-N 3.11Å; P138-S141 PolarHBondContact O-OG 2.86Å; C139-S141 VanDerWaalsContact C-N 3.3Å; S141-R166 WeakPolarHBondContact O-CD 3.36Å
142L91.3Very high84.5Confident7 Ų745.5 Ų45.54%0.03727%0.268CS..EExtended strand (participates in β ladder)trans-130.9135.7-176.2-80.1144.3000111D64 V65 E66 L197 M200D64-L142 PolarHBondContact O-N 2.84Å; V65-L142 CarbonylContact C-O 3.58Å; V65-L142 WeakPolarHBondContact CA-O 3.39Å; E66-L142 PolarHBondContact N-O 2.86Å; L142-L197 HydrophobicContact CD1-CD2 3.73Å; L142-M200 HydrophobicContact CD1-CB 4.38Å; L142-M200 HydrophobicContact CD2-CB 3.6Å; L142-M200 HydrophobicContact CD2-CE 3.48Å; L142-M200 VanDerWaalsContact CD2-CE 3.48Å; L142-M200 HydrophobicContact CD2-CG 4.26Å; L142-M200 HydrophobicContact CD2-SD 3.62Å
143V92.4Very high84.3Confident4 Ų443.8 Ų43.82%0.02426%0.261CS..EExtended strand (participates in β ladder)trans-115119.2174.6-170.10000109.9E66 V68 S137 Y145 R166 T167 V168E66-V143 HydrophobicContact CB-CG1 4.34Å; E66-V143 HydrophobicContact CB-CG2 4.3Å; E66-V143 CarbonylContact O-C 3.58Å; E66-V143 WeakPolarHBondContact O-CA 3.36Å; V68-V143 HydrophobicContact CG2-CG1 3.82Å; S137-V143 VanDerWaalsContact OG-CG2 3.25Å; S137-V143 WeakPolarHBondContact OG-CG2 3.47Å; V143-Y145 HydrophobicContact CB-CE2 4.1Å; V143-Y145 HydrophobicContact CG1-CD2 4.07Å; V143-Y145 HydrophobicContact CG1-CE1 4.34Å; V143-Y145 HydrophobicContact CG1-CE2 3.43Å; V143-Y145 VanDerWaalsContact CG1-CE2 3.43Å; V143-R166 PolarHBondContact N-O 3.14Å; V143-T167 CarbonylContact O-C 3.56Å; V143-T167 WeakPolarHBondContact O-CA 3.32Å; V143-V168 PolarHBondContact O-N 2.72Å
144I92.4Very high84.2Confident1 Ų138.8 Ų38.81%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-108.7108.8-179.1-54.2176.9000108.5V65 E66 V67 V68 V168 L170 I193 V196V65-I144 HydrophobicContact CG1-CD1 3.83Å; V65-I144 HydrophobicContact CG1-CG1 4.3Å; E66-I144 PolarHBondContact O-N 2.6Å; V67-I144 CarbonylContact C-O 3.47Å; V67-I144 WeakPolarHBondContact CA-O 3.36Å; V67-I144 HydrophobicContact CG2-CB 4.36Å; V67-I144 HydrophobicContact CG2-CD1 4.49Å; V68-I144 PolarHBondContact N-O 3.41Å; I144-V168 CarbonylContact C-O 3.51Å; I144-V168 WeakPolarHBondContact CA-O 3.49Å; I144-V168 HydrophobicContact CG1-CB 4.24Å; I144-V168 HydrophobicContact CG2-CB 4.45Å; I144-V168 HydrophobicContact CG2-CG1 4.47Å; I144-L170 HydrophobicContact CG2-CB 3.95Å; I144-L170 HydrophobicContact CG2-CD2 4.34Å; I144-I193 HydrophobicContact CD1-CB 4.44Å; I144-I193 HydrophobicContact CD1-CG1 4.13Å; I144-I193 HydrophobicContact CD1-CG2 4.02Å; I144-V196 HydrophobicContact CD1-CB 4.49Å; I144-V196 HydrophobicContact CD1-CG1 4.08Å; I144-V196 HydrophobicContact CG1-CG1 4.44Å
145Y91.1Very high84.1Confident1 Ų139.1 Ų39.10%0.00424%0.236CC..EExtended strand (participates in β ladder)trans-88.1116.6173.1-64.8-88.1000109.8V68 E115 L119 L131 V143 T167 V168 L169 L170V68-Y145 HydrophobicContact CB-CD1 3.67Å; V68-Y145 HydrophobicContact CB-CE1 3.85Å; V68-Y145 HydrophobicContact CB-CG 4.44Å; V68-Y145 HydrophobicContact CG1-CD1 3.87Å; V68-Y145 HydrophobicContact CG1-CE1 3.87Å; V68-Y145 HydrophobicContact CG2-CD1 4.27Å; V68-Y145 HydrophobicContact CG2-CE1 4.01Å; V68-Y145 CarbonylContact O-C 3.59Å; V68-Y145 WeakPolarHBondContact O-CA 3.37Å; E115-Y145 HydrophobicContact CB-CE1 4.37Å; E115-Y145 HydrophobicContact CG-CE1 4.27Å; E115-Y145 PolarHBondContact OE1-OH 3.31Å; L119-Y145 HydrophobicContact CD1-CD1 4.35Å; L131-Y145 HydrophobicContact CB-CE2 4.19Å; L131-Y145 HydrophobicContact CD1-CD2 3.81Å; L131-Y145 HydrophobicContact CD1-CE2 3.79Å; L131-Y145 HydrophobicContact CD1-CG 4.19Å; L131-Y145 HydrophobicContact CD2-CD1 4.37Å; L131-Y145 HydrophobicContact CD2-CE1 3.81Å; L131-Y145 HydrophobicContact CD2-CE2 4.2Å; L131-Y145 HydrophobicContact CG-CE2 4.28Å; V143-Y145 HydrophobicContact CB-CE2 4.1Å; V143-Y145 HydrophobicContact CG1-CD2 4.07Å; V143-Y145 HydrophobicContact CG1-CE1 4.34Å; V143-Y145 HydrophobicContact CG1-CE2 3.43Å; V143-Y145 VanDerWaalsContact CG1-CE2 3.43Å; Y145-T167 HydrophobicContact CE2-CG2 4.44Å; Y145-V168 PolarHBondContact N-O 3.03Å; Y145-L169 HydrophobicContact CD2-CD2 4.38Å; Y145-L169 HydrophobicContact CG-CD2 4.42Å; Y145-L169 WeakPolarHBondContact O-CA 3.37Å; Y145-L170 PolarHBondContact O-N 3.32Å
146V90.3Very high84.2Confident1 Ų146.9 Ų46.91%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-87.9114.8176.5-177.10000107.9V67 V68 F69 A70 T73 L170 V172V67-V146 HydrophobicContact CG1-CG2 3.72Å; V68-V146 PolarHBondContact O-N 3.01Å; F69-V146 HydrophobicContact CD1-CB 3.79Å; F69-V146 HydrophobicContact CD1-CG1 4.01Å; F69-V146 HydrophobicContact CD1-CG2 4.03Å; F69-V146 HydrophobicContact CE1-CB 4.17Å; F69-V146 HydrophobicContact CE1-CG1 4.23Å; F69-V146 HydrophobicContact CE1-CG2 3.96Å; A70-V146 WeakPolarHBondContact CB-O 3.47Å; A70-V146 PolarHBondContact N-O 3.24Å; T73-V146 HydrophobicContact CG2-CG1 4.34Å; T73-V146 WeakPolarHBondContact CG2-O 3.15Å; V146-L170 CarbonylContact C-O 3.57Å; V146-L170 WeakPolarHBondContact CA-O 3.36Å; V146-L170 HydrophobicContact CG2-CD2 4.33Å; V146-V172 HydrophobicContact CG1-CG2 3.27Å
147I89.2Confident84.5Confident2 Ų245.2 Ų45.21%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-106.9148.2-176.763.3172.6000111.7T73 L119 L153 L154 L169 L170 R171 V172T73-I147 VanDerWaalsContact CG2-C 3.48Å; L119-I147 HydrophobicContact CD1-CG2 4.5Å; L119-I147 HydrophobicContact CD2-CG2 3.95Å; I147-L153 HydrophobicContact CD1-CB 4.33Å; I147-L153 HydrophobicContact CD1-CD1 4.25Å; I147-L153 HydrophobicContact CG2-CD1 4.39Å; I147-L154 HydrophobicContact CD1-CD1 3.83Å; I147-L154 HydrophobicContact CD1-CG 3.96Å; I147-L169 HydrophobicContact CD1-CB 4.48Å; I147-L170 WeakPolarHBondContact CG1-O 3.29Å; I147-L170 PolarHBondContact N-O 3.09Å; I147-R171 HydrophobicContact CG1-CB 4.25Å; I147-V172 WeakPolarHBondContact O-CG2 3.41Å; I147-V172 PolarHBondContact O-N 3.27Å
148P85.1Confident84.7Confident23 Ų2345.7 Ų45.715%0.14927%0.269CS..  trans-69.4154.6179.429.5-34.7000111.3T73 S150 S151T73-P148 HydrophobicContact CG2-CB 4.07Å; T73-P148 HydrophobicContact CG2-CG 4.45Å; T73-P148 VanDerWaalsContact CG2-N 3.34Å; P148-S150 PolarHBondContact O-N 3.39Å; P148-S151 WeakPolarHBondContact O-CB 3.38Å; P148-S151 PolarHBondContact O-N 3.15Å
149E79.4Confident84.8Confident90 Ų9047.3 Ų47.342%0.42127%0.268SS..THydrogen-bonded Turntrans-56.1-33.4175.9-174.3177.2-163.500112.6S151E149-S151 PolarHBondContact O-N 3.13Å; E149-S151 VanDerWaalsContact O-N 3.15Å
150S76.1Confident85Confident102 Ų10245.4 Ų45.471%0.71326%0.255SS*.THydrogen-bonded Turntrans-70.5-3177.3580000114.4P148P148-S150 PolarHBondContact O-N 3.39Å
151S81.1Confident85.3Confident23 Ų2345.9 Ų45.916%0.16126%0.255CS..  trans-73.8128.5178.8-179.50000111.2P148 E149 L153 R171P148-S151 WeakPolarHBondContact O-CB 3.38Å; P148-S151 PolarHBondContact O-N 3.15Å; E149-S151 PolarHBondContact O-N 3.13Å; E149-S151 VanDerWaalsContact O-N 3.15Å; S151-L153 VanDerWaalsContact C-N 3.25Å; S151-L153 PolarHBondContact O-N 3Å; S151-L153 WeakPolarHBondContact OG-CB 3.39Å; S151-L153 WeakPolarHBondContact OG-CG 3.26Å; S151-L153 PolarHBondContact OG-N 2.97Å; S151-R171 PolarHBondContact O-NH2 3.03Å
152S81.1Confident85.3Confident109 Ų10945.3 Ų45.376%0.76225%0.251SS*.THydrogen-bonded Turntrans-80.61.6175.557.10000114L154S152-L154 VanDerWaalsContact C-N 3.31Å; S152-L154 PolarHBondContact O-N 3.47Å
153L81.5Confident85.1Confident13 Ų1345 Ų457%0.06825%0.249CC..THydrogen-bonded Turntrans-64-34-176.5-74175.3000113.5L119 K121 A127 I147 S151 L169L119-L153 HydrophobicContact CD2-CD1 4.24Å; L119-L153 VanDerWaalsContact O-CD1 3.3Å; L119-L153 WeakPolarHBondContact O-CD1 3.36Å; K121-L153 WeakPolarHBondContact O-CD2 3.32Å; A127-L153 HydrophobicContact CB-CD2 4.31Å; I147-L153 HydrophobicContact CD1-CB 4.33Å; I147-L153 HydrophobicContact CD1-CD1 4.25Å; I147-L153 HydrophobicContact CG2-CD1 4.39Å; S151-L153 VanDerWaalsContact C-N 3.25Å; S151-L153 PolarHBondContact O-N 3Å; S151-L153 WeakPolarHBondContact OG-CB 3.39Å; S151-L153 WeakPolarHBondContact OG-CG 3.26Å; S151-L153 PolarHBondContact OG-N 2.97Å; L153-L169 HydrophobicContact CD1-CD1 4.29Å
154L83.3Confident84.8Confident9 Ų947.6 Ų47.65%0.04726%0.261CS..SBendtrans-113.2145.7-176.3-55.5-178.3000110.7A124 I147 S152 V158 Y161 R171A124-L154 HydrophobicContact CB-CD2 4.05Å; I147-L154 HydrophobicContact CD1-CD1 3.83Å; I147-L154 HydrophobicContact CD1-CG 3.96Å; S152-L154 VanDerWaalsContact C-N 3.31Å; S152-L154 PolarHBondContact O-N 3.47Å; L154-V158 HydrophobicContact CB-CB 4.45Å; L154-Y161 HydrophobicContact CD2-CD2 4.44Å; L154-Y161 HydrophobicContact CD2-CG 3.95Å; L154-R171 HydrophobicContact CD1-CB 4.29Å; L154-R171 PolarHBondContact O-NH2 2.79Å
155P82.3Confident84.6Confident75 Ų7551.1 Ų51.149%0.48727%0.274SS..  trans-58.2153.1167.6-21.432.2000111.7D157 V158 R171P155-D157 VanDerWaalsContact C-N 3.25Å; P155-D157 PolarHBondContact O-N 3.06Å; P155-V158 HydrophobicContact CB-CG2 4.05Å; P155-V158 HydrophobicContact CG-CG2 4.06Å; P155-V158 PolarHBondContact O-N 3.17Å; P155-R171 PolarHBondContact O-NH1 2.71Å
156E75.6Confident84.6Confident189 Ų18952.5 Ų52.588%0.88328%0.28SS*.THydrogen-bonded Turntrans-57.9-34.4-174.5-67.3-172.2169.100113.5V158E156-V158 VanDerWaalsContact C-N 3.3Å; E156-V158 PolarHBondContact O-N 3.25Å
157D80.9Confident84.6Confident149 Ų14952.6 Ų52.680%0.79728%0.28SS*.THydrogen-bonded Turntrans-77.9-11.5179.5-63.5-41.6000114.2P155P155-D157 VanDerWaalsContact C-N 3.25Å; P155-D157 PolarHBondContact O-N 3.06Å
158V84.1Confident84.7Confident18 Ų1852.5 Ų52.511%0.10928%0.28CS..  trans-98.9122.9-174.9-179.30000110.1L154 P155 E156 V160 R171 L420L154-V158 HydrophobicContact CB-CB 4.45Å; P155-V158 HydrophobicContact CB-CG2 4.05Å; P155-V158 HydrophobicContact CG-CG2 4.06Å; P155-V158 PolarHBondContact O-N 3.17Å; E156-V158 VanDerWaalsContact C-N 3.3Å; E156-V158 PolarHBondContact O-N 3.25Å; V158-V160 WeakPolarHBondContact CG1-O 3.3Å; V158-R171 PolarHBondContact O-NH1 3.05Å; V158-L420 HydrophobicContact CG1-CB 3.62Å; V158-L420 HydrophobicContact CG2-CB 4.15Å; V158-L420 HydrophobicContact CG2-CD2 4.32Å
159K85.4Confident85Confident119 Ų11951.4 Ų51.452%0.51727%0.273SS..SBendtrans-97.9-35.5178.8-64-179.6-178.2176.10112.1R171 G418K159-R171 PolarHBondContact O-N 3.35Å; K159-G418 PolarHBondContact N-O 2.99Å
160V88.6Confident85.5Confident0 Ų047.3 Ų47.30%025%0.253CS..EExtended strand (participates in β ladder)trans-129.6130.2-177.2-1650000109.3V158 V168 L169 L170 V196 G418 F419 L420V158-V160 WeakPolarHBondContact CG1-O 3.3Å; V160-V168 HydrophobicContact CG1-CG1 3.55Å; V160-L169 WeakPolarHBondContact CA-O 3.41Å; V160-L170 HydrophobicContact CB-CD1 4.46Å; V160-L170 HydrophobicContact CG1-CD1 4.39Å; V160-L170 HydrophobicContact CG2-CD1 3.63Å; V160-V196 HydrophobicContact CG1-CG2 3.87Å; V160-G418 PolarHBondContact N-O 3.43Å; V160-G418 VanDerWaalsContact N-O 3.11Å; V160-F419 HydrophobicContact CB-CD1 3.78Å; V160-F419 HydrophobicContact CB-CD2 4.15Å; V160-F419 HydrophobicContact CB-CE1 3.83Å; V160-F419 HydrophobicContact CB-CE2 4.18Å; V160-F419 HydrophobicContact CB-CG 3.93Å; V160-F419 HydrophobicContact CB-CZ 4.02Å; V160-F419 HydrophobicContact CG1-CD1 3.9Å; V160-F419 HydrophobicContact CG1-CE1 3.73Å; V160-F419 HydrophobicContact CG1-CZ 4.23Å; V160-F419 HydrophobicContact CG2-CD1 4.24Å; V160-F419 HydrophobicContact CG2-CD2 3.96Å; V160-F419 HydrophobicContact CG2-CE1 3.91Å; V160-F419 HydrophobicContact CG2-CE2 3.59Å; V160-F419 HydrophobicContact CG2-CG 4.26Å; V160-F419 HydrophobicContact CG2-CZ 3.56Å; V160-F419 CarbonylContact O-C 3.55Å; V160-F419 WeakPolarHBondContact O-CA 3.4Å; V160-L420 PolarHBondContact O-N 3.14Å
161Y90.2Very high86.1Confident16 Ų1644.1 Ų44.16%0.06323%0.226CC..EExtended strand (participates in β ladder)trans-115124.6169.8176.1-99000110.1A124 L154 V168 L169 L420 A422A124-Y161 HydrophobicContact CB-CD1 3.79Å; A124-Y161 HydrophobicContact CB-CD2 4.28Å; A124-Y161 HydrophobicContact CB-CE1 3.65Å; A124-Y161 HydrophobicContact CB-CE2 4.17Å; A124-Y161 HydrophobicContact CB-CG 4.09Å; L154-Y161 HydrophobicContact CD2-CD2 4.44Å; L154-Y161 HydrophobicContact CD2-CG 3.95Å; Y161-V168 WeakPolarHBondContact O-CA 3.43Å; Y161-L169 HydrophobicContact CD1-CD1 3.99Å; Y161-L169 HydrophobicContact CD1-CG 4.23Å; Y161-L169 PolarHBondContact N-O 3.5Å; Y161-L169 PolarHBondContact O-N 2.83Å; Y161-L420 WeakPolarHBondContact CA-O 3.29Å; Y161-L420 HydrophobicContact CD2-CB 4.19Å; Y161-L420 HydrophobicContact CD2-CD2 3.96Å; Y161-L420 HydrophobicContact CD2-CG 4.11Å; Y161-L420 HydrophobicContact CE2-CD2 4.26Å; Y161-L420 HydrophobicContact CE2-CG 4.46Å; Y161-A422 HydrophobicContact CE2-CB 4.26Å; Y161-A422 WeakPolarHBondContact OH-CB 3.46Å
162I89.5Confident86.1Confident0 Ų043.6 Ų43.60%022%0.222CC..EExtended strand (participates in β ladder)trans-99.7118.1176.2-66.1172.8000107.5V199 M200 F419 L420 V421 A422 W432I162-V199 HydrophobicContact CD1-CB 4.24Å; I162-V199 HydrophobicContact CD1-CG1 3.6Å; I162-M200 HydrophobicContact CB-SD 4.37Å; I162-M200 HydrophobicContact CD1-CG 4.15Å; I162-M200 HydrophobicContact CD1-SD 4.29Å; I162-M200 HydrophobicContact CG1-CG 4.49Å; I162-M200 HydrophobicContact CG1-SD 4Å; I162-M200 HydrophobicContact CG2-CE 3.87Å; I162-M200 HydrophobicContact CG2-CG 4.01Å; I162-M200 HydrophobicContact CG2-SD 3.64Å; I162-F419 HydrophobicContact CD1-CD1 3.85Å; I162-F419 HydrophobicContact CD1-CE1 4.39Å; I162-F419 HydrophobicContact CG1-CD1 4.47Å; I162-L420 PolarHBondContact N-O 2.9Å; I162-V421 HydrophobicContact CB-CG2 4.3Å; I162-V421 HydrophobicContact CD1-CG2 4.18Å; I162-V421 HydrophobicContact CG2-CG1 4.5Å; I162-A422 WeakPolarHBondContact O-CB 3.44Å; I162-A422 PolarHBondContact O-N 2.53Å; I162-W432 HydrophobicContact CG2-CD2 4.44Å; I162-W432 HydrophobicContact CG2-CZ2 4.15Å
163G87.4Confident85.8Confident0 Ų039.7 Ų39.70%020%0.196CC..  trans-69.3179.3178.400000113.6D128 R165 T167 W432D128-G163 VanDerWaalsContact OD2-CA 3.3Å; D128-G163 WeakPolarHBondContact OD2-CA 3.48Å; G163-R165 VanDerWaalsContact C-N 3.26Å; G163-T167 PolarHBondContact N-O 3.25Å; G163-T167 VanDerWaalsContact N-O 3.11Å; G163-W432 PolarHBondContact O-NE1 3.15Å
164Q86.6Confident85.1Confident60 Ų6042.8 Ų42.828%0.2822%0.217SC..SBendtrans-78.9-17.6168.3-66-177.812.800111.6D128 A422 P423 A430 D431D128-Q164 PolarHBondContact OD2-N 3.37Å; Q164-A422 HydrophobicContact CG-CB 3.78Å; Q164-P423 PolarHBondContact NE2-O 3.04Å; Q164-A430 CarbonylContact O-C 3.53Å; Q164-A430 WeakPolarHBondContact O-CA 3.13Å; Q164-A430 VanDerWaalsContact O-CB 3.32Å; Q164-A430 WeakPolarHBondContact O-CB 3.37Å; Q164-D431 PolarHBondContact O-N 2.91Å
165R88.1Confident83.9Confident74 Ų7449.3 Ų49.328%0.27925%0.247SC..SBendtrans-101.6-166.7179.5-52.3-62.2-177.6172.65.9110.4D128 H132 G163 T167 D431D128-R165 WeakPolarHBondContact OD1-CB 3.04Å; D128-R165 PolarHBondContact OD2-N 2.68Å; H132-R165 HydrophobicContact CB-CB 4.29Å; H132-R165 HydrophobicContact CB-CG 3.97Å; G163-R165 VanDerWaalsContact C-N 3.26Å; R165-T167 HydrophobicContact CB-CG2 4.42Å; R165-T167 PolarHBondContact O-N 2.74Å; R165-T167 VanDerWaalsContact O-N 3.09Å; R165-D431 WeakPolarHBondContact CD-OD2 3.5Å; R165-D431 IonicContact CZ-OD2 3.53Å; R165-D431 IonicContact NE-OD2 3.78Å; R165-D431 IonicContact NH1-OD1 3.66Å; R165-D431 PolarHBondContact NH1-OD1 3.27Å; R165-D431 IonicContact NH1-OD2 2.92Å; R165-D431 PolarHBondContact NH1-OD2 2.99Å
166R89.9Confident82.9Confident31 Ų3146.2 Ų46.212%0.11723%0.226CC..SBendtrans-78.924.5177.2-63.7173.1-177.6114.810.3113.4S137 P138 C139 S141 V143 D431 D435S137-R166 PolarHBondContact O-NH1 3.45Å; P138-R166 WeakPolarHBondContact O-CD 3.44Å; C139-R166 PolarHBondContact SG-NH2 3.42Å; C139-R166 VanDerWaalsContact SG-NH2 3.37Å; S141-R166 WeakPolarHBondContact O-CD 3.36Å; V143-R166 PolarHBondContact N-O 3.14Å; R166-D431 HydrophobicContact CG-CB 4.45Å; R166-D435 IonicContact CZ-OD1 3.53Å; R166-D435 IonicContact CZ-OD2 3.52Å; R166-D435 IonicContact NE-OD1 3.71Å; R166-D435 IonicContact NE-OD2 2.79Å; R166-D435 PolarHBondContact NE-OD2 3.39Å; R166-D435 IonicContact NH2-OD1 3.33Å; R166-D435 PolarHBondContact NH2-OD1 3.17Å; R166-D435 IonicContact NH2-OD2 3.65Å; R166-D435 PolarHBondContact NH2-OD2 2.96Å
167T90.8Very high82Confident3 Ų345.9 Ų45.92%0.01822%0.217CC..EExtended strand (participates in β ladder)trans-110.4146.1-176.486.40000111.7D128 V143 Y145 G163 R165D128-T167 WeakPolarHBondContact OD1-CG2 3.31Å; D128-T167 PolarHBondContact OD1-OG1 3Å; V143-T167 CarbonylContact O-C 3.56Å; V143-T167 WeakPolarHBondContact O-CA 3.32Å; Y145-T167 HydrophobicContact CE2-CG2 4.44Å; G163-T167 PolarHBondContact N-O 3.25Å; G163-T167 VanDerWaalsContact N-O 3.11Å; R165-T167 HydrophobicContact CB-CG2 4.42Å; R165-T167 PolarHBondContact O-N 2.74Å; R165-T167 VanDerWaalsContact O-N 3.09Å
168V91.5Very high81Confident0 Ų043.9 Ų43.90%021%0.21CC..EExtended strand (participates in β ladder)trans-133.7133.8176.4-178.10000108.9V143 I144 Y145 V160 Y161 V196 M200V143-V168 PolarHBondContact O-N 2.72Å; I144-V168 CarbonylContact C-O 3.51Å; I144-V168 WeakPolarHBondContact CA-O 3.49Å; I144-V168 HydrophobicContact CG1-CB 4.24Å; I144-V168 HydrophobicContact CG2-CB 4.45Å; I144-V168 HydrophobicContact CG2-CG1 4.47Å; Y145-V168 PolarHBondContact N-O 3.03Å; V160-V168 HydrophobicContact CG1-CG1 3.55Å; Y161-V168 WeakPolarHBondContact O-CA 3.43Å; V168-V196 HydrophobicContact CB-CG1 4.42Å; V168-V196 HydrophobicContact CG1-CG1 4.2Å; V168-V196 HydrophobicContact CG1-CG2 4.05Å; V168-V196 HydrophobicContact CG2-CG1 3.77Å; V168-M200 HydrophobicContact CG2-CE 3.85Å; V168-M200 HydrophobicContact CG2-SD 3.13Å; V168-M200 WeakPolarHBondContact CG2-SD 3.45Å
169L90.6Very high79.9Confident0 Ų043.5 Ų43.50%021%0.209CC..EExtended strand (participates in β ladder)trans-102.5119.8170.5-52.3177.9000108.6L119 A124 L131 Y145 I147 L153 V160 Y161L119-L169 HydrophobicContact CD2-CD2 3.82Å; A124-L169 HydrophobicContact CB-CD1 4.01Å; L131-L169 HydrophobicContact CD1-CD2 4.08Å; Y145-L169 HydrophobicContact CD2-CD2 4.38Å; Y145-L169 HydrophobicContact CG-CD2 4.42Å; Y145-L169 WeakPolarHBondContact O-CA 3.37Å; I147-L169 HydrophobicContact CD1-CB 4.48Å; L153-L169 HydrophobicContact CD1-CD1 4.29Å; V160-L169 WeakPolarHBondContact CA-O 3.41Å; Y161-L169 HydrophobicContact CD1-CD1 3.99Å; Y161-L169 HydrophobicContact CD1-CG 4.23Å; Y161-L169 PolarHBondContact N-O 3.5Å; Y161-L169 PolarHBondContact O-N 2.83Å
170L90.4Very high79Confident3 Ų346.4 Ų46.42%0.01622%0.221CC..EExtended strand (participates in β ladder)trans-114115.5-179.3-177.770.1000109.9I144 Y145 V146 I147 V160 L189 H192I144-L170 HydrophobicContact CG2-CB 3.95Å; I144-L170 HydrophobicContact CG2-CD2 4.34Å; Y145-L170 PolarHBondContact O-N 3.32Å; V146-L170 CarbonylContact C-O 3.57Å; V146-L170 WeakPolarHBondContact CA-O 3.36Å; V146-L170 HydrophobicContact CG2-CD2 4.33Å; I147-L170 WeakPolarHBondContact CG1-O 3.29Å; I147-L170 PolarHBondContact N-O 3.09Å; V160-L170 HydrophobicContact CB-CD1 4.46Å; V160-L170 HydrophobicContact CG1-CD1 4.39Å; V160-L170 HydrophobicContact CG2-CD1 3.63Å; L170-L189 HydrophobicContact CD2-CD2 3.64Å; L170-H192 HydrophobicContact CD1-CB 4.07Å; L170-H192 HydrophobicContact CD2-CB 4.36Å
171R88.3Confident78.3Confident35 Ų3549.1 Ų49.113%0.13224%0.238CC..EExtended strand (participates in β ladder)trans-78.2128.5174.3178.9178.1-77.2150.4-14.6110.9I147 S151 L154 P155 V158 K159 A173I147-R171 HydrophobicContact CG1-CB 4.25Å; S151-R171 PolarHBondContact O-NH2 3.03Å; L154-R171 HydrophobicContact CD1-CB 4.29Å; L154-R171 PolarHBondContact O-NH2 2.79Å; P155-R171 PolarHBondContact O-NH1 2.71Å; V158-R171 PolarHBondContact O-NH1 3.05Å; K159-R171 PolarHBondContact O-N 3.35Å; R171-A173 PolarHBondContact O-N 2.77Å
172V82.6Confident77.8Confident13 Ų1348.9 Ų48.98%0.07924%0.238CC..PPolyproline II helixtrans-64.5125.3172.7-179.60000109.8T73 V146 I147 M176T73-V172 HydrophobicContact CG2-CG2 4.05Å; V146-V172 HydrophobicContact CG1-CG2 3.27Å; I147-V172 WeakPolarHBondContact O-CG2 3.41Å; I147-V172 PolarHBondContact O-N 3.27Å; V172-M176 HydrophobicContact CG1-CB 3.57Å; V172-M176 HydrophobicContact CG1-CG 4.43Å; V172-M176 HydrophobicContact CG1-SD 4.07Å
173A74.9Confident77.3Confident26 Ų2655.9 Ų55.922%0.21527%0.27CS..PPolyproline II helixtrans-73.4151.4175.300000111.3R171 Q175 M176R171-A173 PolarHBondContact O-N 2.77Å; A173-Q175 PolarHBondContact O-N 2.86Å; A173-M176 HydrophobicContact CB-CG 4.32Å; A173-M176 HydrophobicContact CB-SD 4.05Å; A173-M176 PolarHBondContact N-SD 2.84Å; A173-M176 WeakPolarHBondContact O-CB 3.24Å; A173-M176 PolarHBondContact O-N 3.12Å
174P65.1Low77Confident79 Ų7960.3 Ų60.351%0.51329%0.291SS..Hα-helixtrans-57.4-29.2-179.617.5-30.5000113.6M176 R177P174-M176 VanDerWaalsContact C-N 3.27Å; P174-M176 PolarHBondContact O-N 3.13Å; P174-R177 PolarHBondContact O-N 3.45Å
175Q59.1Low76.8Confident145 Ų14557.8 Ų57.868%0.67828%0.28SS*.Hα-helixtrans-69.1-21176.6-47.7-176.422.900113.5A173 T178A173-Q175 PolarHBondContact O-N 2.86Å; Q175-T178 PolarHBondContact O-OG1 3.23Å
176M60.5Low76.6Confident10 Ų1055 Ų555%0.04927%0.27CS..Hα-helixtrans-82.7-20.8178.5-66.5167.3169.500112.2V172 A173 P174 T178 A179 H188 L189V172-M176 HydrophobicContact CG1-CB 3.57Å; V172-M176 HydrophobicContact CG1-CG 4.43Å; V172-M176 HydrophobicContact CG1-SD 4.07Å; A173-M176 HydrophobicContact CB-CG 4.32Å; A173-M176 HydrophobicContact CB-SD 4.05Å; A173-M176 PolarHBondContact N-SD 2.84Å; A173-M176 WeakPolarHBondContact O-CB 3.24Å; A173-M176 PolarHBondContact O-N 3.12Å; P174-M176 VanDerWaalsContact C-N 3.27Å; P174-M176 PolarHBondContact O-N 3.13Å; M176-T178 VanDerWaalsContact C-N 3.27Å; M176-T178 PolarHBondContact O-N 3.42Å; M176-A179 VanDerWaalsContact O-CB 3.31Å; M176-A179 WeakPolarHBondContact O-CB 3.38Å; M176-A179 PolarHBondContact O-N 3.13Å; M176-H188 HydrophobicContact CE-CB 3.87Å; M176-H188 WeakPolarHBondContact CE-O 3.46Å; M176-H188 HydrophobicContact CG-CB 3.79Å; M176-L189 HydrophobicContact CE-CD2 3.72Å; M176-L189 HydrophobicContact CE-CG 4.3Å; M176-L189 HydrophobicContact SD-CD2 3.76Å; M176-L189 HydrophobicContact SD-CG 4.47Å
177R58.7Low76.3Confident182 Ų18259.8 Ų59.869%0.68729%0.294SS*.Hα-helixtrans-70.7-25.5175.8-133.9-179.8-171.7168.71.3112.6P174 A179P174-R177 PolarHBondContact O-N 3.45Å; R177-A179 PolarHBondContact O-N 3.05Å
178T57.9Low76Confident108 Ų10863.4 Ų63.466%0.66331%0.31SS*.THydrogen-bonded Turntrans-74.4-10.1174.824.40000113.9Q175 M176 K180Q175-T178 PolarHBondContact O-OG1 3.23Å; M176-T178 VanDerWaalsContact C-N 3.27Å; M176-T178 PolarHBondContact O-N 3.42Å; T178-K180 PolarHBondContact O-N 3.39Å
179A61.3Low75.6Confident9 Ų963.4 Ų63.47%0.07431%0.31CS..  trans-6911317600000110.5Q78 M176 R177 Q184 L185Q78-A179 PolarHBondContact NE2-O 3.29Å; M176-A179 VanDerWaalsContact O-CB 3.31Å; M176-A179 WeakPolarHBondContact O-CB 3.38Å; M176-A179 PolarHBondContact O-N 3.13Å; R177-A179 PolarHBondContact O-N 3.05Å; A179-Q184 HydrophobicContact CB-CB 3.82Å; A179-L185 HydrophobicContact CB-CB 4.03Å
180K66.3Low75.4Confident181 Ų18166 Ų6679%0.78732%0.322SS*.  trans-77-29179.8-65.9-176.1179.8-179.50111.6T178T178-K180 PolarHBondContact O-N 3.39Å
181T75.8Confident75.2Confident57 Ų5769.3 Ų69.335%0.3534%0.344SS..SBendtrans-113.4152.2-179.947.60000112.6E183 Q184 L185T181-E183 VanDerWaalsContact C-N 3.29Å; T181-E183 PolarHBondContact O-N 3.47Å; T181-Q184 PolarHBondContact O-N 3.45Å; T181-Q184 VanDerWaalsContact OG1-CD 3.3Å; T181-Q184 VanDerWaalsContact OG1-CG 3.31Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.35Å; T181-Q184 PolarHBondContact OG1-OE1 3.44Å; T181-L185 PolarHBondContact O-N 2.95Å
182L78Confident75.2Confident10 Ų1069.8 Ų69.85%0.05235%0.347CS..Hα-helixtrans-58.9-40.4177-178.962.9000111.6Q78 K81 V82 Q184 L185 L186Q78-L182 HydrophobicContact CB-CB 4.3Å; Q78-L182 HydrophobicContact CB-CD1 4.39Å; Q78-L182 HydrophobicContact CG-CB 4.12Å; K81-L182 HydrophobicContact CB-CD2 3.68Å; V82-L182 HydrophobicContact CG2-CD2 3.96Å; L182-Q184 VanDerWaalsContact C-N 3.33Å; L182-Q184 PolarHBondContact O-N 3.21Å; L182-L185 HydrophobicContact CD1-CD2 4.3Å; L182-L185 WeakPolarHBondContact O-CB 3.22Å; L182-L185 PolarHBondContact O-N 3.04Å; L182-L185 VanDerWaalsContact O-N 3.11Å; L182-L186 HydrophobicContact CD1-CG 4.29Å; L182-L186 HydrophobicContact CG-CD1 4.16Å; L182-L186 HydrophobicContact CG-CG 4.24Å; L182-L186 WeakPolarHBondContact O-CG 3.5Å; L182-L186 PolarHBondContact O-N 3.19Å
183E80Confident75.4Confident147 Ų14769.6 Ų69.669%0.68735%0.346SS*.Hα-helixtrans-59.6-41178.4-70165.3-154.300112.7T181 L186 H187T181-E183 VanDerWaalsContact C-N 3.29Å; T181-E183 PolarHBondContact O-N 3.47Å; E183-L186 PolarHBondContact O-N 3.19Å; E183-H187 WeakPolarHBondContact O-CB 3.5Å; E183-H187 PolarHBondContact O-N 3.47Å
184Q81.2Confident76.1Confident94 Ų9472.3 Ų72.344%0.43935%0.353SS..Hα-helixtrans-64.4-42.7174.9-73.6174-12.700110.8A179 T181 L182 H187 H188A179-Q184 HydrophobicContact CB-CB 3.82Å; T181-Q184 PolarHBondContact O-N 3.45Å; T181-Q184 VanDerWaalsContact OG1-CD 3.3Å; T181-Q184 VanDerWaalsContact OG1-CG 3.31Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.35Å; T181-Q184 PolarHBondContact OG1-OE1 3.44Å; L182-Q184 VanDerWaalsContact C-N 3.33Å; L182-Q184 PolarHBondContact O-N 3.21Å; Q184-H187 PolarHBondContact O-N 3.5Å; Q184-H188 PolarHBondContact O-N 2.97Å; Q184-H188 PolarHBondContact O-ND1 3.41Å
185L81.8Confident77.1Confident7 Ų771.9 Ų71.94%0.03734%0.344CS..Hα-helixtrans-62.1-45.9177.1-179.3144.3000111.2F69 A179 T181 L182 H187 H188 L189F69-L185 HydrophobicContact CE1-CD2 3.79Å; F69-L185 HydrophobicContact CZ-CD2 3.96Å; A179-L185 HydrophobicContact CB-CB 4.03Å; T181-L185 PolarHBondContact O-N 2.95Å; L182-L185 HydrophobicContact CD1-CD2 4.3Å; L182-L185 WeakPolarHBondContact O-CB 3.22Å; L182-L185 PolarHBondContact O-N 3.04Å; L182-L185 VanDerWaalsContact O-N 3.11Å; L185-H187 VanDerWaalsContact C-N 3.33Å; L185-H187 PolarHBondContact O-N 2.72Å; L185-H188 PolarHBondContact O-N 3.37Å; L185-L189 HydrophobicContact CD2-CD1 3.49Å; L185-L189 VanDerWaalsContact CD2-CD1 3.49Å; L185-L189 HydrophobicContact CD2-CG 4.36Å; L185-L189 HydrophobicContact CG-CD1 4.31Å; L185-L189 WeakPolarHBondContact O-CG 3.3Å; L185-L189 PolarHBondContact O-N 2.89Å
186L83.4Confident78.6Confident15 Ų1565 Ų658%0.07931%0.312CS..Hα-helixtrans-60.8-40.6176.2-67.2-178.3000112.1F69 L84 Y108 L182 E183 H188 L189 Q190F69-L186 HydrophobicContact CZ-CD2 4.12Å; L84-L186 HydrophobicContact CD2-CD1 3.95Å; Y108-L186 HydrophobicContact CD1-CD2 3.64Å; Y108-L186 HydrophobicContact CE1-CD2 3.3Å; Y108-L186 HydrophobicContact CE2-CD1 4.35Å; Y108-L186 HydrophobicContact CE2-CD2 4.22Å; Y108-L186 HydrophobicContact CG-CD2 4.25Å; L182-L186 HydrophobicContact CD1-CG 4.29Å; L182-L186 HydrophobicContact CG-CD1 4.16Å; L182-L186 HydrophobicContact CG-CG 4.24Å; L182-L186 WeakPolarHBondContact O-CG 3.5Å; L182-L186 PolarHBondContact O-N 3.19Å; E183-L186 PolarHBondContact O-N 3.19Å; L186-H188 VanDerWaalsContact C-N 3.33Å; L186-H188 PolarHBondContact O-N 3.41Å; L186-L189 PolarHBondContact O-N 2.98Å; L186-Q190 PolarHBondContact O-N 3.14Å
187H84.5Confident79.9Confident132 Ų13264.9 Ų64.961%0.61131%0.311SS*.Hα-helixtrans-62.4-38.3177.6-169.167.4000112.8E183 Q184 L185 P191E183-H187 WeakPolarHBondContact O-CB 3.5Å; E183-H187 PolarHBondContact O-N 3.47Å; Q184-H187 PolarHBondContact O-N 3.5Å; L185-H187 VanDerWaalsContact C-N 3.33Å; L185-H187 PolarHBondContact O-N 2.72Å; H187-P191 VanDerWaalsContact O-CD 3.29Å; H187-P191 WeakPolarHBondContact O-CD 3.36Å
188H84.1Confident81.3Confident78 Ų7864.1 Ų64.136%0.36131%0.308SS..Hα-helixtrans-73.3-29.7175.3-67.296.3000112.9M176 Q184 L185 L186 P191 H192M176-H188 HydrophobicContact CE-CB 3.87Å; M176-H188 WeakPolarHBondContact CE-O 3.46Å; M176-H188 HydrophobicContact CG-CB 3.79Å; Q184-H188 PolarHBondContact O-N 2.97Å; Q184-H188 PolarHBondContact O-ND1 3.41Å; L185-H188 PolarHBondContact O-N 3.37Å; L186-H188 VanDerWaalsContact C-N 3.33Å; L186-H188 PolarHBondContact O-N 3.41Å; H188-P191 WeakPolarHBondContact O-CD 3.3Å; H188-P191 WeakPolarHBondContact O-CG 3.39Å; H188-H192 PolarHBondContact O-ND1 3.42Å
189L83.9Confident82.6Confident1 Ų160 Ų601%0.00528%0.283CS..Hα-helixtrans-77-33.9177.6-71176000112.7F69 L170 M176 L185 L186 P191 H192 I193F69-L189 HydrophobicContact CE1-CD1 3.72Å; F69-L189 HydrophobicContact CZ-CD1 4.07Å; L170-L189 HydrophobicContact CD2-CD2 3.64Å; M176-L189 HydrophobicContact CE-CD2 3.72Å; M176-L189 HydrophobicContact CE-CG 4.3Å; M176-L189 HydrophobicContact SD-CD2 3.76Å; M176-L189 HydrophobicContact SD-CG 4.47Å; L185-L189 HydrophobicContact CD2-CD1 3.49Å; L185-L189 VanDerWaalsContact CD2-CD1 3.49Å; L185-L189 HydrophobicContact CD2-CG 4.36Å; L185-L189 HydrophobicContact CG-CD1 4.31Å; L185-L189 WeakPolarHBondContact O-CG 3.3Å; L185-L189 PolarHBondContact O-N 2.89Å; L186-L189 PolarHBondContact O-N 2.98Å; L189-P191 VanDerWaalsContact C-CD 3.49Å; L189-H192 WeakPolarHBondContact O-CB 3.36Å; L189-H192 PolarHBondContact O-N 3.34Å; L189-I193 HydrophobicContact CB-CD1 4.08Å; L189-I193 WeakPolarHBondContact O-CG1 3.39Å; L189-I193 PolarHBondContact O-N 3.48Å
190Q85.6Confident83.8Confident53 Ų5359.6 Ų59.625%0.24828%0.28CS..Hα-helixtrans-47.5-47.6-177.8-167.8178.8100114.8Q88 L186 H192 I193 K194Q88-Q190 VanDerWaalsContact OE1-NE2 3.13Å; L186-Q190 PolarHBondContact O-N 3.14Å; Q190-H192 VanDerWaalsContact C-N 3.32Å; Q190-H192 PolarHBondContact O-N 2.83Å; Q190-I193 PolarHBondContact O-N 2.76Å; Q190-K194 WeakPolarHBondContact O-CG 3.47Å; Q190-K194 PolarHBondContact O-N 3.34Å
191P87.4Confident84.8Confident73 Ų7351.1 Ų51.147%0.47424%0.243SC..Hα-helixtrans-63.6-36178.424.3-35000113H187 H188 L189 Q195H187-P191 VanDerWaalsContact O-CD 3.29Å; H187-P191 WeakPolarHBondContact O-CD 3.36Å; H188-P191 WeakPolarHBondContact O-CD 3.3Å; H188-P191 WeakPolarHBondContact O-CG 3.39Å; L189-P191 VanDerWaalsContact C-CD 3.49Å; P191-Q195 WeakPolarHBondContact O-CB 3.4Å; P191-Q195 PolarHBondContact O-N 3.04Å
192H87.1Confident85.3Confident45 Ų4548.5 Ų48.521%0.20823%0.227CC..Hα-helixtrans-69.8-41.6177.2-63.484.4000110.8L170 H188 L189 Q190 Q195 V196L170-H192 HydrophobicContact CD1-CB 4.07Å; L170-H192 HydrophobicContact CD2-CB 4.36Å; H188-H192 PolarHBondContact O-ND1 3.42Å; L189-H192 WeakPolarHBondContact O-CB 3.36Å; L189-H192 PolarHBondContact O-N 3.34Å; Q190-H192 VanDerWaalsContact C-N 3.32Å; Q190-H192 PolarHBondContact O-N 2.83Å; H192-Q195 PolarHBondContact O-N 3.05Å; H192-V196 WeakPolarHBondContact O-CG2 3.47Å; H192-V196 PolarHBondContact O-N 3.39Å
193I87.6Confident85.7Confident9 Ų948.5 Ų48.55%0.04623%0.228CC..Hα-helixtrans-61.7-46.1175.2-64.7168.2000110.4V67 I144 L189 Q190 Q195 V196 L197V67-I193 HydrophobicContact CG2-CD1 4.01Å; I144-I193 HydrophobicContact CD1-CB 4.44Å; I144-I193 HydrophobicContact CD1-CG1 4.13Å; I144-I193 HydrophobicContact CD1-CG2 4.02Å; L189-I193 HydrophobicContact CB-CD1 4.08Å; L189-I193 WeakPolarHBondContact O-CG1 3.39Å; L189-I193 PolarHBondContact O-N 3.48Å; Q190-I193 PolarHBondContact O-N 2.76Å; I193-Q195 VanDerWaalsContact C-N 3.28Å; I193-Q195 PolarHBondContact O-N 3.36Å; I193-V196 PolarHBondContact O-N 2.95Å; I193-L197 HydrophobicContact CG2-CD1 3.97Å; I193-L197 HydrophobicContact CG2-CG 4.45Å; I193-L197 WeakPolarHBondContact O-CG 3.2Å; I193-L197 PolarHBondContact O-N 3.36Å
194K88Confident86Confident84 Ų8445.2 Ų45.237%0.36521%0.212SC..Hα-helixtrans-59-39.3175.4-74.3-165.6179.4-152.40112.4E90 Q190 L197 R198E90-K194 IonicContact OE1-NZ 3.47Å; E90-K194 PolarHBondContact OE1-NZ 2.7Å; Q190-K194 WeakPolarHBondContact O-CG 3.47Å; Q190-K194 PolarHBondContact O-N 3.34Å; K194-L197 PolarHBondContact O-N 2.89Å; K194-R198 WeakPolarHBondContact O-CB 3.29Å; K194-R198 PolarHBondContact O-N 3.01Å
195Q87.8Confident86Confident69 Ų6941.7 Ų41.732%0.32220%0.199SC..Hα-helixtrans-68.8-39.4177.8-168.41701700112.3P191 H192 I193 R198 V199 P416 F419P191-Q195 WeakPolarHBondContact O-CB 3.4Å; P191-Q195 PolarHBondContact O-N 3.04Å; H192-Q195 PolarHBondContact O-N 3.05Å; I193-Q195 VanDerWaalsContact C-N 3.28Å; I193-Q195 PolarHBondContact O-N 3.36Å; Q195-R198 PolarHBondContact O-N 3.31Å; Q195-V199 WeakPolarHBondContact O-CG2 3.32Å; Q195-V199 PolarHBondContact O-N 3.34Å; Q195-P416 HydrophobicContact CG-CG 4.12Å; Q195-P416 VanDerWaalsContact NE2-CG 3.34Å; Q195-F419 HydrophobicContact CB-CZ 4.02Å; Q195-F419 HydrophobicContact CG-CE1 4.34Å; Q195-F419 HydrophobicContact CG-CE2 4.02Å; Q195-F419 HydrophobicContact CG-CZ 3.6Å
196V89Confident86Confident1 Ų142.6 Ų42.61%0.00620%0.204CC..Hα-helixtrans-61.1-47.1172.5167.90000110.9I144 V160 V168 H192 I193 R198 V199 M200 F419I144-V196 HydrophobicContact CD1-CB 4.49Å; I144-V196 HydrophobicContact CD1-CG1 4.08Å; I144-V196 HydrophobicContact CG1-CG1 4.44Å; V160-V196 HydrophobicContact CG1-CG2 3.87Å; V168-V196 HydrophobicContact CB-CG1 4.42Å; V168-V196 HydrophobicContact CG1-CG1 4.2Å; V168-V196 HydrophobicContact CG1-CG2 4.05Å; V168-V196 HydrophobicContact CG2-CG1 3.77Å; H192-V196 WeakPolarHBondContact O-CG2 3.47Å; H192-V196 PolarHBondContact O-N 3.39Å; I193-V196 PolarHBondContact O-N 2.95Å; V196-R198 VanDerWaalsContact C-N 3.34Å; V196-R198 PolarHBondContact O-N 3.42Å; V196-V199 PolarHBondContact O-N 2.97Å; V196-M200 HydrophobicContact CG1-SD 4.11Å; V196-M200 PolarHBondContact O-N 2.87Å; V196-F419 HydrophobicContact CG2-CE1 3.87Å; V196-F419 HydrophobicContact CG2-CZ 4.25Å
197L88.4Confident86.2Confident7 Ų741.9 Ų41.94%0.03720%0.2CC..Hα-helixtrans-58-47.3177-71.5166.2000111.1V65 Y104 L142 I193 K194 V199 M200 S201V65-L197 HydrophobicContact CG2-CD1 4.27Å; V65-L197 HydrophobicContact CG2-CD2 3.46Å; V65-L197 VanDerWaalsContact CG2-CD2 3.46Å; V65-L197 HydrophobicContact CG2-CG 4.37Å; Y104-L197 HydrophobicContact CD1-CD1 3.81Å; Y104-L197 HydrophobicContact CD1-CD2 4.22Å; Y104-L197 HydrophobicContact CE1-CD1 4.12Å; Y104-L197 HydrophobicContact CE1-CD2 4.39Å; Y104-L197 HydrophobicContact CG-CD1 4.19Å; L142-L197 HydrophobicContact CD1-CD2 3.73Å; I193-L197 HydrophobicContact CG2-CD1 3.97Å; I193-L197 HydrophobicContact CG2-CG 4.45Å; I193-L197 WeakPolarHBondContact O-CG 3.2Å; I193-L197 PolarHBondContact O-N 3.36Å; K194-L197 PolarHBondContact O-N 2.89Å; L197-V199 PolarHBondContact O-N 3.23Å; L197-V199 VanDerWaalsContact O-N 3.11Å; L197-M200 PolarHBondContact O-N 3.46Å; L197-S201 PolarHBondContact O-N 3.09Å; L197-S201 PolarHBondContact O-OG 2.98Å
198R87.4Confident86.1Confident166 Ų16636.5 Ų36.563%0.62618%0.177SC*.Hα-helixtrans-56.5-31.7176.7-172-179.9173-178.7-2.3113.4K194 Q195 V196K194-R198 WeakPolarHBondContact O-CB 3.29Å; K194-R198 PolarHBondContact O-N 3.01Å; Q195-R198 PolarHBondContact O-N 3.31Å; V196-R198 VanDerWaalsContact C-N 3.34Å; V196-R198 PolarHBondContact O-N 3.42Å
199V86.1Confident86Confident21 Ų2133.3 Ų33.313%0.12716%0.164CC..Hα-helixtrans-84.3-43.9179.81760000111.7I162 Q195 V196 L197 P416 W432 R436I162-V199 HydrophobicContact CD1-CB 4.24Å; I162-V199 HydrophobicContact CD1-CG1 3.6Å; Q195-V199 WeakPolarHBondContact O-CG2 3.32Å; Q195-V199 PolarHBondContact O-N 3.34Å; V196-V199 PolarHBondContact O-N 2.97Å; L197-V199 PolarHBondContact O-N 3.23Å; L197-V199 VanDerWaalsContact O-N 3.11Å; V199-P416 HydrophobicContact CG2-CG 4.19Å; V199-W432 WeakPolarHBondContact O-CZ3 3.33Å; V199-R436 WeakPolarHBondContact O-CD 3.33Å; V199-R436 PolarHBondContact O-NH1 2.89Å
200M86.7Confident86Confident2 Ų233.7 Ų33.71%0.0117%0.167CC..Hα-helixtrans-101.6-28.9-168.7-66.9179.775.200115.7L142 I162 V168 V196 L197 W432L142-M200 HydrophobicContact CD1-CB 4.38Å; L142-M200 HydrophobicContact CD2-CB 3.6Å; L142-M200 HydrophobicContact CD2-CE 3.48Å; L142-M200 VanDerWaalsContact CD2-CE 3.48Å; L142-M200 HydrophobicContact CD2-CG 4.26Å; L142-M200 HydrophobicContact CD2-SD 3.62Å; I162-M200 HydrophobicContact CB-SD 4.37Å; I162-M200 HydrophobicContact CD1-CG 4.15Å; I162-M200 HydrophobicContact CD1-SD 4.29Å; I162-M200 HydrophobicContact CG1-CG 4.49Å; I162-M200 HydrophobicContact CG1-SD 4Å; I162-M200 HydrophobicContact CG2-CE 3.87Å; I162-M200 HydrophobicContact CG2-CG 4.01Å; I162-M200 HydrophobicContact CG2-SD 3.64Å; V168-M200 HydrophobicContact CG2-CE 3.85Å; V168-M200 HydrophobicContact CG2-SD 3.13Å; V168-M200 WeakPolarHBondContact CG2-SD 3.45Å; V196-M200 HydrophobicContact CG1-SD 4.11Å; V196-M200 PolarHBondContact O-N 2.87Å; L197-M200 PolarHBondContact O-N 3.46Å; M200-W432 HydrophobicContact CB-CB 4.24Å; M200-W432 HydrophobicContact CB-CD2 4.47Å; M200-W432 HydrophobicContact CB-CE3 4.24Å; M200-W432 HydrophobicContact CE-CB 3.48Å; M200-W432 VanDerWaalsContact CE-CB 3.48Å; M200-W432 HydrophobicContact CE-CD2 4.3Å; M200-W432 HydrophobicContact CE-CG 3.52Å; M200-W432 HydrophobicContact CG-CB 4.39Å; M200-W432 HydrophobicContact CG-CD2 4.03Å; M200-W432 HydrophobicContact CG-CE3 4.06Å; M200-W432 HydrophobicContact CG-CG 4.19Å
201S87.4Confident85.9Confident2 Ų231.1 Ų31.11%0.01416%0.155CC..SBendtrans-95.4-88.2176.957.70000110.4L197 R436L197-S201 PolarHBondContact O-N 3.09Å; L197-S201 PolarHBondContact O-OG 2.98Å; S201-R436 WeakPolarHBondContact O-CA 3.41Å; S201-R436 WeakPolarHBondContact O-CB 3.32Å; S201-R436 VanDerWaalsContact O-CG 3.29Å; S201-R436 WeakPolarHBondContact O-CG 3.34Å
202F86.6Confident85.4Confident3 Ų330.4 Ų30.41%0.01315%0.152CC..  trans-151.8151.1179.752.5-96.9000110.5L61 A63 Y102 Y104 I207 W439L61-F202 HydrophobicContact CB-CE1 4.01Å; L61-F202 HydrophobicContact CB-CE2 4.26Å; L61-F202 HydrophobicContact CB-CZ 3.68Å; L61-F202 HydrophobicContact CD2-CD1 4.21Å; L61-F202 HydrophobicContact CD2-CD2 4.3Å; L61-F202 HydrophobicContact CD2-CE1 4.16Å; L61-F202 HydrophobicContact CD2-CE2 4.25Å; L61-F202 HydrophobicContact CD2-CG 4.29Å; L61-F202 HydrophobicContact CD2-CZ 4.19Å; A63-F202 HydrophobicContact CB-CE1 4.14Å; Y102-F202 HydrophobicContact CD1-CD2 4.35Å; Y102-F202 AromaticContact CD1-CE2 3.54Å; Y102-F202 HydrophobicContact CD1-CE2 3.54Å; Y102-F202 HydrophobicContact CD1-CZ 4.25Å; Y102-F202 HydrophobicContact CD2-CE2 4.41Å; Y102-F202 HydrophobicContact CE1-CD2 4.41Å; Y102-F202 HydrophobicContact CE1-CE2 4.02Å; Y102-F202 AromaticContact CG-CE2 3.77Å; Y102-F202 HydrophobicContact CG-CE2 3.77Å; Y104-F202 HydrophobicContact CE1-CE2 4.21Å; Y104-F202 AromaticContact CE1-CZ 3.89Å; Y104-F202 HydrophobicContact CE1-CZ 3.89Å; Y104-F202 VanDerWaalsContact OH-CE2 3.29Å; Y104-F202 WeakPolarHBondContact OH-CE2 3.26Å; F202-I207 HydrophobicContact CB-CD1 3.8Å; F202-I207 HydrophobicContact CB-CG1 3.89Å; F202-I207 HydrophobicContact CD2-CG1 4.05Å; F202-I207 HydrophobicContact CG-CD1 4.28Å; F202-I207 HydrophobicContact CG-CG1 4.21Å; F202-W439 HydrophobicContact CB-CB 4.34Å; F202-W439 HydrophobicContact CD1-CB 4.41Å; F202-W439 AromaticContact CD1-CD1 3.92Å; F202-W439 AromaticContact CD1-CD2 3.73Å; F202-W439 HydrophobicContact CD1-CD2 3.73Å; F202-W439 AromaticContact CD1-CE2 3.88Å; F202-W439 HydrophobicContact CD1-CE3 4.25Å; F202-W439 AromaticContact CD1-CG 3.79Å; F202-W439 HydrophobicContact CD1-CG 3.79Å; F202-W439 AromaticContact CD1-NE1 3.95Å; F202-W439 HydrophobicContact CE1-CD2 4.07Å; F202-W439 AromaticContact CE1-CE2 3.97Å; F202-W439 HydrophobicContact CE1-CE3 4.32Å; F202-W439 HydrophobicContact CE1-CH2 4.44Å; F202-W439 HydrophobicContact CE1-CZ2 4.19Å; F202-W439 HydrophobicContact CE1-CZ3 4.48Å
203S86Confident84.5Confident9 Ų931.2 Ų31.26%0.06316%0.158CC..  trans-111.6153.5169.977.70000110.6A205 D206 I207S203-A205 PolarHBondContact O-N 2.92Å; S203-D206 WeakPolarHBondContact CB-OD2 3.43Å; S203-D206 PolarHBondContact N-OD2 3.06Å; S203-D206 PolarHBondContact O-N 2.9Å; S203-D206 PolarHBondContact OG-N 2.78Å; S203-D206 VanDerWaalsContact OG-N 3.17Å; S203-D206 PolarHBondContact OG-OD1 3.39Å; S203-D206 PolarHBondContact OG-OD2 2.92Å; S203-I207 PolarHBondContact O-N 3.34Å
204H85.6Confident83.8Confident79 Ų7933.5 Ų33.537%0.36617%0.166SC..Hα-helixtrans-53.9-36.8173.6-175.967.8000111.9H92 Y102 T208H92-H204 AromaticContact CG-CE1 3.84Å; H92-H204 AromaticContact CG-ND1 3.84Å; H92-H204 AromaticContact ND1-CE1 3.84Å; H92-H204 AromaticContact ND1-ND1 3.9Å; Y102-H204 HydrophobicContact CE2-CB 4.15Å; Y102-H204 AromaticContact CE2-ND1 3.76Å; Y102-H204 AromaticContact CZ-ND1 3.81Å; Y102-H204 PolarHBondContact OH-ND1 3.42Å; H204-T208 VanDerWaalsContact O-CB 3.29Å; H204-T208 WeakPolarHBondContact O-CB 3.43Å; H204-T208 WeakPolarHBondContact O-CG2 3.19Å; H204-T208 PolarHBondContact O-N 3.22Å; H204-T208 PolarHBondContact O-OG1 3.02Å
205A82.2Confident82.9Confident20 Ų2030.3 Ų30.317%0.16515%0.153CC..Hα-helixtrans-65.3-38.6176.800000113.2S203 T208 A209S203-A205 PolarHBondContact O-N 2.92Å; A205-T208 WeakPolarHBondContact CA-OG1 3.3Å; A205-T208 PolarHBondContact O-OG1 2.66Å; A205-T208 VanDerWaalsContact O-OG1 3.05Å; A205-A209 WeakPolarHBondContact O-CB 3.49Å; A205-A209 PolarHBondContact O-N 3.35Å
206D81.4Confident81.6Confident26 Ų2638.5 Ų38.514%0.13918%0.181CC..Hα-helixtrans-71.3-46.1178.9-54-41.9000110.9S203 A209 A210 R436S203-D206 WeakPolarHBondContact CB-OD2 3.43Å; S203-D206 PolarHBondContact N-OD2 3.06Å; S203-D206 PolarHBondContact O-N 2.9Å; S203-D206 PolarHBondContact OG-N 2.78Å; S203-D206 VanDerWaalsContact OG-N 3.17Å; S203-D206 PolarHBondContact OG-OD1 3.39Å; S203-D206 PolarHBondContact OG-OD2 2.92Å; D206-A209 PolarHBondContact O-N 3.46Å; D206-A210 PolarHBondContact O-N 2.87Å; D206-R436 VanDerWaalsContact CG-NH2 3.33Å; D206-R436 IonicContact OD1-NH2 2.7Å; D206-R436 PolarHBondContact OD1-NH2 2.83Å; D206-R436 IonicContact OD2-CZ 3.35Å; D206-R436 VanDerWaalsContact OD2-CZ 3.29Å; D206-R436 IonicContact OD2-NE 2.79Å; D206-R436 PolarHBondContact OD2-NE 2.77Å; D206-R436 IonicContact OD2-NH2 2.88Å; D206-R436 PolarHBondContact OD2-NH2 2.86Å
207I87Confident80.2Confident0 Ų041.9 Ų41.90%020%0.196CC..Hα-helixtrans-66.8-40.5-179.1-59.6-56000110.8L61 L100 Y102 F202 S203 A210 L211 W439 V443L61-I207 HydrophobicContact CD2-CD1 3.76Å; L61-I207 HydrophobicContact CD2-CG1 4.1Å; L100-I207 HydrophobicContact CD1-CB 4.45Å; L100-I207 HydrophobicContact CD1-CG2 3.56Å; L100-I207 HydrophobicContact CD2-CG2 4.38Å; Y102-I207 HydrophobicContact CE1-CG2 4.47Å; F202-I207 HydrophobicContact CB-CD1 3.8Å; F202-I207 HydrophobicContact CB-CG1 3.89Å; F202-I207 HydrophobicContact CD2-CG1 4.05Å; F202-I207 HydrophobicContact CG-CD1 4.28Å; F202-I207 HydrophobicContact CG-CG1 4.21Å; S203-I207 PolarHBondContact O-N 3.34Å; I207-A210 WeakPolarHBondContact O-CB 3.13Å; I207-A210 PolarHBondContact O-N 3.4Å; I207-L211 WeakPolarHBondContact O-CG 3.35Å; I207-L211 PolarHBondContact O-N 3.4Å; I207-W439 HydrophobicContact CD1-CB 4.42Å; I207-V443 HydrophobicContact CD1-CG2 4.25Å; I207-V443 HydrophobicContact CG2-CG1 4.05Å; I207-V443 HydrophobicContact CG2-CG2 4.22Å
208T83.7Confident78.3Confident18 Ų1849.6 Ų49.611%0.1123%0.232CC..Hα-helixtrans-64.2-42.4172.450.50000111.1I94 H204 A205 A210 L211 F217I94-T208 HydrophobicContact CD1-CG2 3.92Å; I94-T208 HydrophobicContact CG1-CG2 4.48Å; H204-T208 VanDerWaalsContact O-CB 3.29Å; H204-T208 WeakPolarHBondContact O-CB 3.43Å; H204-T208 WeakPolarHBondContact O-CG2 3.19Å; H204-T208 PolarHBondContact O-N 3.22Å; H204-T208 PolarHBondContact O-OG1 3.02Å; A205-T208 WeakPolarHBondContact CA-OG1 3.3Å; A205-T208 PolarHBondContact O-OG1 2.66Å; A205-T208 VanDerWaalsContact O-OG1 3.05Å; T208-A210 VanDerWaalsContact C-N 3.25Å; T208-A210 PolarHBondContact O-N 2.69Å; T208-L211 WeakPolarHBondContact O-CA 3.45Å; T208-L211 WeakPolarHBondContact O-CB 3.22Å; T208-L211 PolarHBondContact O-N 3.27Å; T208-F217 VanDerWaalsContact O-CE2 3.26Å; T208-F217 WeakPolarHBondContact O-CE2 3.39Å; T208-F217 WeakPolarHBondContact O-CZ 3.42Å
209A80.8Confident76.3Confident12 Ų1246.6 Ų46.610%0.09923%0.233CC..Hα-helixtrans-60.9-34.8176.300000112.7A205 D206 L211 S212A205-A209 WeakPolarHBondContact O-CB 3.49Å; A205-A209 PolarHBondContact O-N 3.35Å; D206-A209 PolarHBondContact O-N 3.46Å; A209-L211 PolarHBondContact O-N 3.19Å; A209-S212 WeakPolarHBondContact O-CB 3.32Å; A209-S212 PolarHBondContact O-N 3.42Å; A209-S212 PolarHBondContact O-OG 3.17Å
210A83.8Confident74.3Confident8 Ų848.8 Ų48.87%0.06626%0.261CS..Hα-helixtrans-64.7-22.6172.600000113.6D206 I207 T208 S212 S440 V443 E444D206-A210 PolarHBondContact O-N 2.87Å; I207-A210 WeakPolarHBondContact O-CB 3.13Å; I207-A210 PolarHBondContact O-N 3.4Å; T208-A210 VanDerWaalsContact C-N 3.25Å; T208-A210 PolarHBondContact O-N 2.69Å; A210-S212 VanDerWaalsContact C-N 3.32Å; A210-S440 WeakPolarHBondContact CB-O 3.21Å; A210-V443 HydrophobicContact CB-CB 4.37Å; A210-V443 HydrophobicContact CB-CG1 4.26Å; A210-E444 HydrophobicContact CB-CB 4.16Å; A210-E444 WeakPolarHBondContact O-CA 3.44Å
211L83.8Confident72.7Confident0 Ų053.5 Ų53.50%029%0.286CS..THydrogen-bonded Turntrans-889.4176.8-64.6173.5000113.7L57 I94 T98 L100 I207 T208 A209 D213 R214 V215 F217 V443 A447L57-L211 HydrophobicContact CD2-CD2 4.33Å; I94-L211 HydrophobicContact CD1-CD1 3.39Å; T98-L211 HydrophobicContact CG2-CD1 4.27Å; L100-L211 HydrophobicContact CD1-CD1 4.01Å; L100-L211 HydrophobicContact CD2-CD1 4.14Å; L100-L211 HydrophobicContact CG-CD1 4.31Å; I207-L211 WeakPolarHBondContact O-CG 3.35Å; I207-L211 PolarHBondContact O-N 3.4Å; T208-L211 WeakPolarHBondContact O-CA 3.45Å; T208-L211 WeakPolarHBondContact O-CB 3.22Å; T208-L211 PolarHBondContact O-N 3.27Å; A209-L211 PolarHBondContact O-N 3.19Å; L211-D213 PolarHBondContact O-N 3.17Å; L211-D213 VanDerWaalsContact O-N 3.11Å; L211-R214 PolarHBondContact O-N 2.66Å; L211-V215 PolarHBondContact O-N 2.91Å; L211-F217 HydrophobicContact CB-CZ 4.46Å; L211-V443 HydrophobicContact CD2-CG1 3.53Å; L211-V443 HydrophobicContact CG-CG1 3.88Å; L211-A447 HydrophobicContact CD2-CB 3.59Å
212S77.3Confident71Confident58 Ų5861 Ų6141%0.40632%0.318SS..THydrogen-bonded Turntrans-60-24.8-175.163.30000115.1A209 A210 R214 F217A209-S212 WeakPolarHBondContact O-CB 3.32Å; A209-S212 PolarHBondContact O-N 3.42Å; A209-S212 PolarHBondContact O-OG 3.17Å; A210-S212 VanDerWaalsContact C-N 3.32Å; S212-R214 VanDerWaalsContact C-N 3.28Å; S212-F217 VanDerWaalsContact CA-CE2 3.49Å
213D67.5Low69.5Low62 Ų6268.6 Ų68.633%0.33235%0.353SS..THydrogen-bonded Turntrans-73.7-23.1176.8-79.4-9.3000112.7L211 K233L211-D213 PolarHBondContact O-N 3.17Å; L211-D213 VanDerWaalsContact O-N 3.11Å; D213-K233 WeakPolarHBondContact OD1-CE 3.12Å; D213-K233 IonicContact OD1-NZ 3.29Å; D213-K233 PolarHBondContact OD1-NZ 3.32Å; D213-K233 IonicContact OD2-NZ 2.6Å; D213-K233 PolarHBondContact OD2-NZ 3.03Å
214R72.6Confident67.8Low57 Ų5769.4 Ų69.422%0.21536%0.359CS..THydrogen-bonded Turntrans-102.4-33.8-179.2-169.3152.6173.8-88.3-5112.8A55 L57 D97 T98 L211 S212A55-R214 PolarHBondContact O-NH2 2.99Å; L57-R214 VanDerWaalsContact CD2-NH1 3.3Å; D97-R214 PolarHBondContact O-NH2 3.48Å; T98-R214 PolarHBondContact OG1-NH1 3.23Å; L211-R214 PolarHBondContact O-N 2.66Å; S212-R214 VanDerWaalsContact C-N 3.28Å
215V70.3Confident66.4Low17 Ų1767.6 Ų67.610%0.10335%0.352CS..SBendtrans-117.2124.9-176.1-176.90000110.9I94 L211 F217I94-V215 HydrophobicContact CG2-CB 4.41Å; I94-V215 HydrophobicContact CG2-CG1 3.89Å; I94-V215 HydrophobicContact CG2-CG2 3.96Å; L211-V215 PolarHBondContact O-N 2.91Å; V215-F217 HydrophobicContact CB-CE1 4Å; V215-F217 HydrophobicContact CB-CZ 3.96Å; V215-F217 HydrophobicContact CG1-CD1 4.11Å; V215-F217 HydrophobicContact CG1-CE1 3.74Å; V215-F217 HydrophobicContact CG1-CZ 4.23Å; V215-F217 PolarHBondContact O-N 2.86Å
216R60.8Low65.1Low240 Ų24067.6 Ų67.691%0.90635%0.352SS*.  trans-79.2110.3171.2-70.2-171.8-177.9-173.32.1109.8
217F58.8Low64Low72 Ų7268.8 Ų68.832%0.31636%0.358SS..  trans-79.6144.5-177.6-63.1-63.4000113.9T208 L211 S212 V215 I225T208-F217 VanDerWaalsContact O-CE2 3.26Å; T208-F217 WeakPolarHBondContact O-CE2 3.39Å; T208-F217 WeakPolarHBondContact O-CZ 3.42Å; L211-F217 HydrophobicContact CB-CZ 4.46Å; S212-F217 VanDerWaalsContact CA-CE2 3.49Å; V215-F217 HydrophobicContact CB-CE1 4Å; V215-F217 HydrophobicContact CB-CZ 3.96Å; V215-F217 HydrophobicContact CG1-CD1 4.11Å; V215-F217 HydrophobicContact CG1-CE1 3.74Å; V215-F217 HydrophobicContact CG1-CZ 4.23Å; V215-F217 PolarHBondContact O-N 2.86Å; F217-I225 HydrophobicContact CB-CD1 4.21Å
218H48.5Very low62.6Low170 Ų17070.3 Ų70.379%0.78737%0.369SS*.  trans-80.4148.3166.6-75.675.8000110.5G220H218-G220 PolarHBondContact O-N 3.08Å
219P45.3Very low61.5Low102 Ų10274.6 Ų74.666%0.66239%0.389SS*.THydrogen-bonded Turntrans-76.741.8-164.631.7-37000115.5
220G45.3Very low60.8Low68 Ų6879 Ų7970%0.70140%0.403SS*.THydrogen-bonded Turntrans-84-33-18000000115H218H218-G220 PolarHBondContact O-N 3.08Å
221N51.1Low60.2Low100 Ų10079.1 Ų79.154%0.53540%0.404SS..  trans-116.371.7-178.2-88.1-6.1000111.6E223 I225N221-E223 VanDerWaalsContact C-N 3.27Å; N221-E223 PolarHBondContact O-N 3.05Å; N221-I225 VanDerWaalsContact O-CD1 3.28Å; N221-I225 WeakPolarHBondContact O-CD1 3.48Å; N221-I225 WeakPolarHBondContact O-CG1 3.45Å; N221-I225 PolarHBondContact O-N 2.92Å
222K53Low59.7Low160 Ų16080 Ų8070%0.69641%0.408SS*.Hα-helixtrans-62.6-29.9-174.8-69-179.3-179.9176.50114.1A226K222-A226 WeakPolarHBondContact O-CB 3.35Å; K222-A226 PolarHBondContact O-N 3.02Å
223E54Low59.7Low162 Ų16281.6 Ų81.676%0.75741%0.408SS*.Hα-helixtrans-75.4-50.6-175.4-66.4179.6174.800112.3N221 I225 A226 D227N221-E223 VanDerWaalsContact C-N 3.27Å; N221-E223 PolarHBondContact O-N 3.05Å; E223-I225 VanDerWaalsContact C-N 3.28Å; E223-I225 PolarHBondContact O-N 2.97Å; E223-A226 PolarHBondContact O-N 3.27Å; E223-A226 VanDerWaalsContact O-N 3.15Å; E223-D227 VanDerWaalsContact O-CG 3.24Å; E223-D227 PolarHBondContact O-N 3.08Å
224S51.4Low60.3Low26 Ų2679.9 Ų79.918%0.18240%0.401CS..Hα-helixtrans-66.5-31.1178.475.80000112.8D227 S228S224-D227 PolarHBondContact O-N 3.32Å; S224-S228 PolarHBondContact O-N 3.32Å; S224-S228 PolarHBondContact O-OG 3.21Å
225I55.6Low60.8Low41 Ų4178.2 Ų78.221%0.2140%0.397CS..Hα-helixtrans-72.2-40.4174-60.7168.4000110.4F217 N221 E223 D227 S228 M229F217-I225 HydrophobicContact CB-CD1 4.21Å; N221-I225 VanDerWaalsContact O-CD1 3.28Å; N221-I225 WeakPolarHBondContact O-CD1 3.48Å; N221-I225 WeakPolarHBondContact O-CG1 3.45Å; N221-I225 PolarHBondContact O-N 2.92Å; E223-I225 VanDerWaalsContact C-N 3.28Å; E223-I225 PolarHBondContact O-N 2.97Å; I225-D227 VanDerWaalsContact C-N 3.25Å; I225-D227 PolarHBondContact O-N 2.87Å; I225-S228 PolarHBondContact O-N 3.09Å; I225-S228 PolarHBondContact O-OG 2.86Å; I225-S228 VanDerWaalsContact O-OG 3.12Å; I225-M229 HydrophobicContact CG2-CE 4.04Å; I225-M229 HydrophobicContact CG2-CG 4.27Å; I225-M229 HydrophobicContact CG2-SD 4.17Å; I225-M229 WeakPolarHBondContact O-CB 3.39Å; I225-M229 WeakPolarHBondContact O-CG 3.47Å; I225-M229 PolarHBondContact O-N 3.04Å
226A56.1Low61.3Low21 Ų2178.7 Ų78.717%0.17440%0.401CS..Hα-helixtrans-61.2-39.7173.700000111K222 E223 M229 R230K222-A226 WeakPolarHBondContact O-CB 3.35Å; K222-A226 PolarHBondContact O-N 3.02Å; E223-A226 PolarHBondContact O-N 3.27Å; E223-A226 VanDerWaalsContact O-N 3.15Å; A226-M229 PolarHBondContact O-N 3.17Å; A226-R230 WeakPolarHBondContact O-CB 3.14Å; A226-R230 WeakPolarHBondContact O-CD 3.23Å; A226-R230 WeakPolarHBondContact O-CG 3.32Å; A226-R230 PolarHBondContact O-N 2.76Å
227D56.6Low62.6Low50 Ų5067.4 Ų67.427%0.26736%0.359SS..Hα-helixtrans-69.2-35.9179-68-18.3000112.9E223 S224 I225 R230 A231E223-D227 VanDerWaalsContact O-CG 3.24Å; E223-D227 PolarHBondContact O-N 3.08Å; S224-D227 PolarHBondContact O-N 3.32Å; I225-D227 VanDerWaalsContact C-N 3.25Å; I225-D227 PolarHBondContact O-N 2.87Å; D227-R230 PolarHBondContact O-N 3.31Å; D227-R230 IonicContact OD1-CZ 2.99Å; D227-R230 IonicContact OD1-NH1 2.78Å; D227-R230 PolarHBondContact OD1-NH1 3.43Å; D227-A231 PolarHBondContact O-N 2.92Å
228S58.6Low64.1Low33 Ų3364.2 Ų64.223%0.23135%0.345CS..Hα-helixtrans-75.5-32.2172.469.70000113.4S224 I225 R230S224-S228 PolarHBondContact O-N 3.32Å; S224-S228 PolarHBondContact O-OG 3.21Å; I225-S228 PolarHBondContact O-N 3.09Å; I225-S228 PolarHBondContact O-OG 2.86Å; I225-S228 VanDerWaalsContact O-OG 3.12Å; S228-R230 VanDerWaalsContact C-N 3.26Å; S228-R230 PolarHBondContact O-N 3.02Å
229M60.8Low66.1Low107 Ų10757 Ų5753%0.52731%0.312SS..Hα-helixtrans-68.8-25.6172.4-72.8-172.2-53.600112.7I225 A226I225-M229 HydrophobicContact CG2-CE 4.04Å; I225-M229 HydrophobicContact CG2-CG 4.27Å; I225-M229 HydrophobicContact CG2-SD 4.17Å; I225-M229 WeakPolarHBondContact O-CB 3.39Å; I225-M229 WeakPolarHBondContact O-CG 3.47Å; I225-M229 PolarHBondContact O-N 3.04Å; A226-M229 PolarHBondContact O-N 3.17Å
230R64.9Low68.3Low105 Ų10552.2 Ų52.240%0.39628%0.281SS..Hα-helixtrans-75.1-36.9178-77.4166.8-162.8162.210.7113.1A226 D227 S228 P365A226-R230 WeakPolarHBondContact O-CB 3.14Å; A226-R230 WeakPolarHBondContact O-CD 3.23Å; A226-R230 WeakPolarHBondContact O-CG 3.32Å; A226-R230 PolarHBondContact O-N 2.76Å; D227-R230 PolarHBondContact O-N 3.31Å; D227-R230 IonicContact OD1-CZ 2.99Å; D227-R230 IonicContact OD1-NH1 2.78Å; D227-R230 PolarHBondContact OD1-NH1 3.43Å; S228-R230 VanDerWaalsContact C-N 3.26Å; S228-R230 PolarHBondContact O-N 3.02Å; R230-P365 HydrophobicContact CG-CG 4.19Å
231A71.8Confident70.5Confident10 Ų1049.3 Ų49.38%0.08325%0.25CC..SBendtrans-73.8151.7-179.300000112.1D227 L407D227-A231 PolarHBondContact O-N 2.92Å; A231-L407 WeakPolarHBondContact CA-O 3.47Å
232F72.6Confident72.5Confident18 Ų1844.6 Ų44.68%0.07922%0.224CC..PPolyproline II helixtrans-68144.4166.2-83.8-98.5000110.2Y238 P331 L333 R366 L407 R441F232-Y238 HydrophobicContact CB-CE1 3.94Å; F232-Y238 HydrophobicContact CG-CE1 4.48Å; F232-P331 HydrophobicContact CD1-CB 3.86Å; F232-P331 HydrophobicContact CE1-CB 3.93Å; F232-L333 HydrophobicContact CD2-CD2 4.19Å; F232-L333 HydrophobicContact CD2-CG 4.21Å; F232-L333 HydrophobicContact CE2-CD2 4.01Å; F232-L333 HydrophobicContact CE2-CG 3.72Å; F232-L333 HydrophobicContact CZ-CG 3.99Å; F232-R366 HydrophobicContact CE1-CB 4.38Å; F232-R366 VanDerWaalsContact CE1-O 3.31Å; F232-R366 WeakPolarHBondContact CE1-O 3.45Å; F232-R366 VanDerWaalsContact CE2-CA 3.49Å; F232-R366 VanDerWaalsContact CZ-CA 3.46Å; F232-R366 HydrophobicContact CZ-CB 4.47Å; F232-R366 WeakPolarHBondContact CZ-O 3.33Å; F232-L407 HydrophobicContact CD2-CB 4.14Å; F232-L407 HydrophobicContact CD2-CD2 4.28Å; F232-L407 HydrophobicContact CE2-CB 4.36Å; F232-L407 HydrophobicContact CE2-CD2 4.09Å; F232-L407 PolarHBondContact N-O 3.4Å; F232-R441 PolarHBondContact O-NH1 2.91Å; F232-R441 PolarHBondContact O-NH2 3.19Å
233K77.6Confident74.3Confident93 Ų9337 Ų3740%0.40419%0.191SC..PPolyproline II helixtrans-59152.6168.4-70.9-163.9172.2-158.70110.7D213 S235 Y238 R441 E444D213-K233 WeakPolarHBondContact OD1-CE 3.12Å; D213-K233 IonicContact OD1-NZ 3.29Å; D213-K233 PolarHBondContact OD1-NZ 3.32Å; D213-K233 IonicContact OD2-NZ 2.6Å; D213-K233 PolarHBondContact OD2-NZ 3.03Å; K233-S235 PolarHBondContact O-N 3.41Å; K233-Y238 PolarHBondContact O-OH 3.29Å; K233-R441 VanDerWaalsContact C-NH1 3.35Å; K233-E444 WeakPolarHBondContact CA-OE1 3.37Å
234S80.3Confident76.2Confident26 Ų2629.4 Ų29.418%0.18216%0.156CC..PPolyproline II helixtrans-60.6128.6178.7-172.60000109.1Y238 R441 E444 N445S234-Y238 WeakPolarHBondContact CA-OH 3.31Å; S234-R441 VanDerWaalsContact CA-NH1 3.31Å; S234-E444 PolarHBondContact N-OE1 3.49Å; S234-N445 WeakPolarHBondContact CB-OD1 3.27Å; S234-N445 PolarHBondContact OG-OD1 2.84Å
235S84Confident78Confident21 Ų2128.2 Ų28.215%0.14715%0.147CC..  trans-138.5144.7178.7-170.50000109.5K233 G237 Y238 P331K233-S235 PolarHBondContact O-N 3.41Å; S235-G237 WeakPolarHBondContact CB-O 3.37Å; S235-G237 PolarHBondContact O-N 2.96Å; S235-G237 PolarHBondContact OG-O 3Å; S235-G237 VanDerWaalsContact OG-O 3.11Å; S235-Y238 PolarHBondContact N-OH 3.34Å; S235-P331 VanDerWaalsContact OG-CD 3.24Å; S235-P331 WeakPolarHBondContact OG-CD 3.42Å
236P81Confident79.6Confident28 Ų2826.4 Ų26.418%0.18214%0.138CC..SBendtrans-60.8-23.5176.626.2-38.5000113.3N278 K503 L507P236-N278 PolarHBondContact O-N 2.97Å; P236-K503 PolarHBondContact O-NZ 3.32Å; P236-L507 HydrophobicContact CB-CD1 4.44Å; P236-L507 HydrophobicContact CB-CD2 3.77Å; P236-L507 HydrophobicContact CB-CG 4.34Å; P236-L507 HydrophobicContact CG-CD2 3.66Å
237G87.8Confident81.1Confident3 Ų325.7 Ų25.73%0.03113%0.132CC..EExtended strand (participates in β ladder)trans-149.2156.1176.600000113.6S235 N278 P331S235-G237 WeakPolarHBondContact CB-O 3.37Å; S235-G237 PolarHBondContact O-N 2.96Å; S235-G237 PolarHBondContact OG-O 3Å; S235-G237 VanDerWaalsContact OG-O 3.11Å; G237-N278 CarbonylContact C-O 3.59Å; G237-N278 WeakPolarHBondContact CA-O 3.46Å; G237-P331 WeakPolarHBondContact O-CD 3.37Å
238Y89.8Confident82.4Confident4 Ų425 Ų252%0.01613%0.128CC..EExtended strand (participates in β ladder)trans-134.8142.2177-63.8-82.8000109.8F232 K233 S234 S235 A277 N278 F279 S280 P331 L333 L408F232-Y238 HydrophobicContact CB-CE1 3.94Å; F232-Y238 HydrophobicContact CG-CE1 4.48Å; K233-Y238 PolarHBondContact O-OH 3.29Å; S234-Y238 WeakPolarHBondContact CA-OH 3.31Å; S235-Y238 PolarHBondContact N-OH 3.34Å; Y238-A277 HydrophobicContact CD2-CB 3.51Å; Y238-A277 HydrophobicContact CE2-CB 3.51Å; Y238-N278 PolarHBondContact N-O 3.37Å; Y238-F279 HydrophobicContact CD2-CD1 4.19Å; Y238-F279 AromaticContact CD2-CE1 3.57Å; Y238-F279 HydrophobicContact CD2-CE1 3.57Å; Y238-F279 HydrophobicContact CD2-CZ 4.21Å; Y238-F279 HydrophobicContact CE2-CE1 4.46Å; Y238-F279 HydrophobicContact CG-CD1 4.45Å; Y238-F279 HydrophobicContact CG-CE1 4.12Å; Y238-F279 WeakPolarHBondContact O-CA 3.28Å; Y238-S280 PolarHBondContact O-N 3.35Å; Y238-P331 HydrophobicContact CD1-CB 4.28Å; Y238-P331 HydrophobicContact CD1-CG 3.49Å; Y238-P331 VanDerWaalsContact CD1-CG 3.49Å; Y238-P331 HydrophobicContact CE1-CG 3.62Å; Y238-P331 HydrophobicContact CG-CG 4.45Å; Y238-L333 HydrophobicContact CD1-CD1 3.69Å; Y238-L333 HydrophobicContact CG-CD1 4.07Å; Y238-L408 HydrophobicContact CD2-CD2 4.37Å; Y238-L408 HydrophobicContact CE2-CD2 4.46Å
239E90.4Very high83.5Confident20 Ų2024.9 Ų24.99%0.09313%0.126CC..EExtended strand (participates in β ladder)trans-106.2131.3172.3-46.2-164.2155.400109.1S280 N325 S328 N330 P331 V332 L333E239-S280 WeakPolarHBondContact CA-OG 3.31Å; E239-S280 WeakPolarHBondContact CB-OG 3.42Å; E239-S280 WeakPolarHBondContact CG-OG 3.17Å; E239-N325 PolarHBondContact OE2-ND2 2.8Å; E239-S328 WeakPolarHBondContact OE1-CB 3.35Å; E239-S328 PolarHBondContact OE1-OG 3.28Å; E239-N330 HydrophobicContact CG-CB 3.97Å; E239-P331 PolarHBondContact N-O 2.91Å; E239-V332 HydrophobicContact CB-CG1 4.42Å; E239-V332 HydrophobicContact CB-CG2 4.21Å; E239-V332 CarbonylContact O-C 3.52Å; E239-V332 WeakPolarHBondContact O-CA 3.48Å; E239-L333 PolarHBondContact O-N 2.96Å
240I91.5Very high84.6Confident0 Ų026.9 Ų26.90%013%0.132CC..EExtended strand (participates in β ladder)trans-115.9115.5-178-58.8173.1000108.4F242 L270 F279 S280 I281 D282 L333 F335 L404I240-F242 HydrophobicContact CG2-CD2 4.3Å; I240-F242 HydrophobicContact CG2-CE2 3.63Å; I240-F242 HydrophobicContact CG2-CZ 3.75Å; I240-L270 HydrophobicContact CD1-CD1 4.18Å; I240-L270 HydrophobicContact CD1-CD2 3.81Å; I240-F279 HydrophobicContact CD1-CD1 4.13Å; I240-S280 PolarHBondContact N-O 2.86Å; I240-I281 CarbonylContact O-C 3.44Å; I240-I281 WeakPolarHBondContact O-CA 3.48Å; I240-D282 PolarHBondContact O-N 3.25Å; I240-L333 HydrophobicContact CG1-CB 4.42Å; I240-L333 HydrophobicContact CG1-CD1 4.42Å; I240-F335 HydrophobicContact CG2-CD2 3.74Å; I240-F335 HydrophobicContact CG2-CE2 3.83Å; I240-L404 HydrophobicContact CD1-CD1 4Å; I240-L404 HydrophobicContact CD1-CD2 4.34Å
241T91.4Very high85.3Confident8 Ų822.1 Ų22.15%0.04912%0.115CC..EExtended strand (participates in β ladder)trans-112.4116.3-176.6-54.30000110.8D282 Q284 L333 F335T241-D282 WeakPolarHBondContact CA-O 3.38Å; T241-D282 HydrophobicContact CG2-CB 4.39Å; T241-Q284 HydrophobicContact CG2-CG 4.34Å; T241-L333 PolarHBondContact N-O 2.96Å; T241-F335 PolarHBondContact O-N 3.44Å
242F92.8Very high85.8Confident1 Ų121.7 Ų21.70%0.00411%0.111CC..EExtended strand (participates in β ladder)trans-93.6118.7172.7-65.1-77.4000110.6I240 W256 I258 I266 I281 D282 S283 Q284 F335 F400I240-F242 HydrophobicContact CG2-CD2 4.3Å; I240-F242 HydrophobicContact CG2-CE2 3.63Å; I240-F242 HydrophobicContact CG2-CZ 3.75Å; F242-W256 HydrophobicContact CB-CH2 4.04Å; F242-I258 HydrophobicContact CB-CD1 4.06Å; F242-I258 HydrophobicContact CB-CG1 4.08Å; F242-I258 HydrophobicContact CD1-CD1 4.34Å; F242-I258 HydrophobicContact CD2-CD1 4.37Å; F242-I258 HydrophobicContact CG-CD1 4Å; F242-I258 HydrophobicContact CG-CG1 4.39Å; F242-I266 HydrophobicContact CZ-CD1 4.48Å; F242-I266 HydrophobicContact CZ-CG1 4.16Å; F242-I281 HydrophobicContact CD2-CG2 3.92Å; F242-I281 HydrophobicContact CE2-CG2 3.92Å; F242-D282 PolarHBondContact N-O 3.45Å; F242-S283 CarbonylContact O-C 3.58Å; F242-S283 VanDerWaalsContact O-CA 3.26Å; F242-S283 WeakPolarHBondContact O-CA 3.08Å; F242-Q284 PolarHBondContact O-N 2.64Å; F242-F335 CarbonylContact C-O 3.56Å; F242-F335 WeakPolarHBondContact CA-O 3.29Å; F242-F335 HydrophobicContact CD1-CB 3.5Å; F242-F335 VanDerWaalsContact CD1-CB 3.5Å; F242-F335 HydrophobicContact CD1-CD2 4.34Å; F242-F335 HydrophobicContact CD1-CG 4.17Å; F242-F335 HydrophobicContact CE1-CB 3.68Å; F242-F335 AromaticContact CE1-CD2 3.84Å; F242-F335 HydrophobicContact CE1-CD2 3.84Å; F242-F335 AromaticContact CE1-CG 3.84Å; F242-F335 HydrophobicContact CE1-CG 3.84Å; F242-F335 HydrophobicContact CG-CB 4.46Å; F242-F335 HydrophobicContact CZ-CD2 4.26Å; F242-F400 AromaticContact CD1-CD2 3.77Å; F242-F400 HydrophobicContact CD1-CD2 3.77Å; F242-F400 AromaticContact CD1-CE2 3.96Å; F242-F400 HydrophobicContact CD1-CE2 3.96Å; F242-F400 HydrophobicContact CE1-CB 4.37Å; F242-F400 AromaticContact CE1-CD2 3.67Å; F242-F400 HydrophobicContact CE1-CD2 3.67Å; F242-F400 HydrophobicContact CE1-CE2 4.33Å; F242-F400 HydrophobicContact CE1-CG 4.35Å
243S92.1Very high86.4Confident1 Ų128.2 Ų28.21%0.00714%0.136CC..EExtended strand (participates in β ladder)trans-120123.2-177.1-48.40000111.9Q284 F335 L336 L337S243-Q284 WeakPolarHBondContact CA-O 3.36Å; S243-Q284 WeakPolarHBondContact OG-CG 3.19Å; S243-Q284 PolarHBondContact OG-NE2 3.41Å; S243-F335 PolarHBondContact N-O 2.71Å; S243-L336 CarbonylContact O-C 3.55Å; S243-L336 VanDerWaalsContact O-CA 3.29Å; S243-L336 WeakPolarHBondContact O-CA 3.36Å; S243-L337 PolarHBondContact O-N 3.19Å
244L92.3Very high86.8Confident1 Ų125.2 Ų25.21%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-91.8117.8169.7178.562.9000109.8L254 W256 Q284 T285 L286 L337 V339 I391L244-L254 HydrophobicContact CD1-CD1 4.08Å; L244-L254 HydrophobicContact CD2-CB 3.95Å; L244-L254 HydrophobicContact CD2-CD1 4.09Å; L244-L254 HydrophobicContact CG-CD1 4.27Å; L244-W256 HydrophobicContact CB-CD2 3.97Å; L244-W256 HydrophobicContact CB-CE3 4.12Å; L244-W256 HydrophobicContact CB-CH2 3.78Å; L244-W256 HydrophobicContact CB-CZ2 3.6Å; L244-W256 HydrophobicContact CB-CZ3 4.02Å; L244-W256 HydrophobicContact CD2-CB 4.49Å; L244-W256 HydrophobicContact CD2-CD2 3.94Å; L244-W256 HydrophobicContact CD2-CG 3.85Å; L244-W256 HydrophobicContact CG-CD2 4.43Å; L244-Q284 PolarHBondContact N-O 2.99Å; L244-T285 HydrophobicContact CB-CG2 4.23Å; L244-T285 HydrophobicContact CD2-CG2 4.08Å; L244-T285 HydrophobicContact CG-CG2 4.31Å; L244-L286 PolarHBondContact O-N 3.38Å; L244-L337 HydrophobicContact CD1-CB 4.06Å; L244-L337 HydrophobicContact CD1-CD2 3.95Å; L244-L337 HydrophobicContact CD1-CG 4.08Å; L244-V339 HydrophobicContact CD1-CG2 4.26Å; L244-I391 HydrophobicContact CD1-CD1 3.98Å; L244-I391 HydrophobicContact CD2-CD1 4.47Å
245L90.4Very high87.2Confident1 Ų129.8 Ų29.81%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-97.8113.8175.9-66.6166.5000109.5L286 A289 L291 V318 L336 L337 Y338 V339L245-L286 HydrophobicContact CD2-CB 4.03Å; L245-L286 HydrophobicContact CD2-CD1 3.85Å; L245-A289 HydrophobicContact CD2-CB 3.42Å; L245-A289 VanDerWaalsContact CD2-CB 3.42Å; L245-L291 HydrophobicContact CD1-CD2 4.49Å; L245-V318 HydrophobicContact CD1-CG1 4.38Å; L245-V318 HydrophobicContact CD1-CG2 4.49Å; L245-L336 HydrophobicContact CD1-CB 4.24Å; L245-L336 HydrophobicContact CD1-CD2 3.64Å; L245-L336 HydrophobicContact CG-CD2 4.19Å; L245-L337 PolarHBondContact N-O 3.42Å; L245-Y338 HydrophobicContact CB-CD2 3.79Å; L245-Y338 HydrophobicContact CD1-CD2 4.21Å; L245-V339 PolarHBondContact O-N 3.49Å
246N89.8Confident87.5Confident3 Ų330.1 Ų30.12%0.01614%0.14CC..EExtended strand (participates in β ladder)trans-115105.8172.9-176.4-12.2000110.1D248 H252 L254 L286 H287 Y288N246-D248 PolarHBondContact OD1-N 2.93Å; N246-D248 PolarHBondContact OD1-O 3.5Å; N246-H252 PolarHBondContact ND2-O 3.38Å; N246-H252 PolarHBondContact OD1-NE2 3.13Å; N246-L254 HydrophobicContact CB-CD1 3.89Å; N246-L286 PolarHBondContact N-O 3.44Å; N246-H287 CarbonylContact O-C 3.52Å; N246-H287 WeakPolarHBondContact O-CA 3.32Å; N246-Y288 PolarHBondContact O-N 3.49Å
247P86.2Confident87.9Confident7 Ų733.2 Ų33.25%0.04516%0.155CC..SBendtrans-72.7-28.517930.2-34.2000113.3M290 Y338 V339 D341P247-M290 HydrophobicContact CB-CG 4.05Å; P247-Y338 HydrophobicContact CB-CE2 4.44Å; P247-Y338 HydrophobicContact CG-CE2 4Å; P247-V339 WeakPolarHBondContact CD-O 3.33Å; P247-V339 VanDerWaalsContact CG-O 3.31Å; P247-V339 WeakPolarHBondContact CG-O 3.32Å; P247-D341 HydrophobicContact CG-CB 4.17Å
248D84.4Confident88.1Confident36 Ų3633.8 Ų33.819%0.19316%0.157CC..  trans-138.185.2-175.7-177.125.5000112.7N246 K250 S251 D341N246-D248 PolarHBondContact OD1-N 2.93Å; N246-D248 PolarHBondContact OD1-O 3.5Å; D248-K250 PolarHBondContact O-N 3.43Å; D248-K250 VanDerWaalsContact OD1-CB 3.31Å; D248-K250 WeakPolarHBondContact OD1-CB 3.49Å; D248-K250 PolarHBondContact OD1-N 3.4Å; D248-S251 VanDerWaalsContact CG-OG 3.29Å; D248-S251 PolarHBondContact O-N 3.01Å; D248-S251 PolarHBondContact O-OG 2.96Å; D248-S251 VanDerWaalsContact O-OG 3.14Å; D248-S251 WeakPolarHBondContact OD2-CB 3.25Å; D248-S251 PolarHBondContact OD2-N 3.26Å; D248-S251 PolarHBondContact OD2-OG 3.14Å; D248-D341 HydrophobicContact CB-CB 4.03Å
249P82.2Confident88.2Confident29 Ų2940.2 Ų40.219%0.18819%0.187CC..THydrogen-bonded Turntrans-68.6-3.7177.229.7-36000113.8Y288P249-Y288 HydrophobicContact CG-CD1 4.26Å; P249-Y288 HydrophobicContact CG-CD2 4.35Å; P249-Y288 HydrophobicContact CG-CE1 3.63Å; P249-Y288 HydrophobicContact CG-CE2 3.72Å; P249-Y288 WeakPolarHBondContact CG-OH 3.4Å
250K82.7Confident88.2Confident149 Ų14940.2 Ų40.265%0.64819%0.193SC*.THydrogen-bonded Turntrans-82.7-32.6177-58.5177.1179.3176.20112.1D248 P386D248-K250 PolarHBondContact O-N 3.43Å; D248-K250 VanDerWaalsContact OD1-CB 3.31Å; D248-K250 WeakPolarHBondContact OD1-CB 3.49Å; D248-K250 PolarHBondContact OD1-N 3.4Å; K250-P386 WeakPolarHBondContact O-CB 3.36Å
251S79.4Confident88.2Confident6 Ų640.5 Ų40.54%0.04220%0.195CC..THydrogen-bonded Turntrans-84.3-33.3179.549.50000112.5D248 F385 P386 V387D248-S251 VanDerWaalsContact CG-OG 3.29Å; D248-S251 PolarHBondContact O-N 3.01Å; D248-S251 PolarHBondContact O-OG 2.96Å; D248-S251 VanDerWaalsContact O-OG 3.14Å; D248-S251 WeakPolarHBondContact OD2-CB 3.25Å; D248-S251 PolarHBondContact OD2-N 3.26Å; D248-S251 PolarHBondContact OD2-OG 3.14Å; S251-F385 VanDerWaalsContact O-CD1 3.3Å; S251-F385 WeakPolarHBondContact O-CD1 3.36Å; S251-P386 WeakPolarHBondContact O-CA 2.9Å; S251-V387 PolarHBondContact O-N 3.38Å
252H83.5Confident88.1Confident0 Ų040.6 Ų40.60%020%0.196CC..EExtended strand (participates in β ladder)trans-147.2143.6179.150.6-106.3000113.6N246 P340 Y379 V387 I389N246-H252 PolarHBondContact ND2-O 3.38Å; N246-H252 PolarHBondContact OD1-NE2 3.13Å; H252-P340 PolarHBondContact CE1-O 3.14Å; H252-Y379 PolarHBondContact CE1-OH 3.05Å; H252-Y379 AromaticContact ND1-CZ 3.97Å; H252-Y379 PolarHBondContact ND1-OH 3Å; H252-V387 CarbonylContact C-O 3.57Å; H252-V387 VanDerWaalsContact CA-O 3.26Å; H252-V387 WeakPolarHBondContact CA-O 3.3Å; H252-V387 WeakPolarHBondContact CB-O 3.4Å; H252-I389 HydrophobicContact CB-CD1 3.52Å; H252-I389 HydrophobicContact CB-CG1 4.26Å
253R84.3Confident88.1Confident156 Ų15646.2 Ų46.259%0.58922%0.223SC*.EExtended strand (participates in β ladder)trans-99.7115.3169-76.2177.1-178-172.84.6108.2P386 V387 D388 I389R253-P386 HydrophobicContact CG-CB 4.01Å; R253-P386 HydrophobicContact CG-CG 3.96Å; R253-V387 PolarHBondContact N-O 3.28Å; R253-D388 VanDerWaalsContact CB-OD1 3.23Å; R253-D388 WeakPolarHBondContact CB-OD1 3.27Å; R253-D388 WeakPolarHBondContact CD-OD1 3.49Å; R253-I389 PolarHBondContact O-N 2.8Å
254L86.3Confident88Confident30 Ų3050.3 Ų50.316%0.15725%0.248CC..EExtended strand (participates in β ladder)trans-92.5122.5-178.9-57.1174.2000109.1L244 N246 V339 I389 I391L244-L254 HydrophobicContact CD1-CD1 4.08Å; L244-L254 HydrophobicContact CD2-CB 3.95Å; L244-L254 HydrophobicContact CD2-CD1 4.09Å; L244-L254 HydrophobicContact CG-CD1 4.27Å; N246-L254 HydrophobicContact CB-CD1 3.89Å; L254-V339 HydrophobicContact CD1-CB 3.82Å; L254-V339 HydrophobicContact CD1-CG1 4.28Å; L254-V339 HydrophobicContact CD1-CG2 3.66Å; L254-V339 HydrophobicContact CD2-CB 4.46Å; L254-V339 HydrophobicContact CD2-CG1 4.1Å; L254-V339 HydrophobicContact CD2-CG2 4.21Å; L254-I389 HydrophobicContact CD2-CB 4.12Å; L254-I389 HydrophobicContact CD2-CD1 4.3Å; L254-I389 HydrophobicContact CD2-CG2 4.48Å; L254-I391 HydrophobicContact CB-CD1 4.37Å
255H88.5Confident87.8Confident122 Ų12254.8 Ų54.857%0.56527%0.265SS*.EExtended strand (participates in β ladder)trans-107.9119.8167.4-173.968.9000108.8I389 N390 I391H255-I389 PolarHBondContact N-O 3.2Å; H255-N390 WeakPolarHBondContact CB-OD1 3.35Å; H255-I391 PolarHBondContact O-N 2.92Å
256W91.1Very high87.8Confident28 Ų2854.8 Ų54.811%0.10627%0.265CS..  trans-128.8120.7175.978.4-34.2000108.9F242 L244 I258 T285 L337 I391 M393F242-W256 HydrophobicContact CB-CH2 4.04Å; L244-W256 HydrophobicContact CB-CD2 3.97Å; L244-W256 HydrophobicContact CB-CE3 4.12Å; L244-W256 HydrophobicContact CB-CH2 3.78Å; L244-W256 HydrophobicContact CB-CZ2 3.6Å; L244-W256 HydrophobicContact CB-CZ3 4.02Å; L244-W256 HydrophobicContact CD2-CB 4.49Å; L244-W256 HydrophobicContact CD2-CD2 3.94Å; L244-W256 HydrophobicContact CD2-CG 3.85Å; L244-W256 HydrophobicContact CG-CD2 4.43Å; W256-I258 VanDerWaalsContact C-N 3.3Å; W256-I258 HydrophobicContact CD2-CB 4Å; W256-I258 HydrophobicContact CD2-CG2 4.41Å; W256-I258 HydrophobicContact CE3-CB 4.17Å; W256-I258 HydrophobicContact CE3-CD1 4.4Å; W256-I258 HydrophobicContact CE3-CG1 4.5Å; W256-I258 HydrophobicContact CH2-CB 4.29Å; W256-I258 HydrophobicContact CH2-CD1 4.42Å; W256-I258 HydrophobicContact CH2-CG1 4.09Å; W256-I258 HydrophobicContact CZ2-CB 4.12Å; W256-I258 HydrophobicContact CZ2-CG1 4.33Å; W256-I258 HydrophobicContact CZ2-CG2 4.01Å; W256-I258 HydrophobicContact CZ3-CB 4.32Å; W256-I258 HydrophobicContact CZ3-CD1 4.08Å; W256-I258 HydrophobicContact CZ3-CG1 4.19Å; W256-I258 PolarHBondContact O-N 2.86Å; W256-I258 VanDerWaalsContact O-N 3.14Å; W256-T285 PolarHBondContact NE1-OG1 2.89Å; W256-L337 HydrophobicContact CE3-CD2 4.36Å; W256-I391 HydrophobicContact CB-CB 4.31Å; W256-I391 HydrophobicContact CB-CD1 4.04Å; W256-I391 HydrophobicContact CB-CG1 4.4Å; W256-M393 HydrophobicContact CB-SD 3.95Å; W256-M393 HydrophobicContact CE3-CE 4.23Å
257D90Very high87.9Confident92 Ų9258.8 Ų58.849%0.49228%0.284SS..  trans-86.976.2174.2179.215.4000108.9G260 A261D257-G260 PolarHBondContact OD1-N 2.97Å; D257-A261 WeakPolarHBondContact O-CB 3.34Å; D257-A261 PolarHBondContact O-N 3.29Å
258I90.9Very high88.2Confident15 Ų1560.3 Ų60.38%0.07729%0.294CS..Hα-helixtrans-72.5-32.4-179.5-171.658.6000112.2F242 W256 A261 A262 M393 M397F242-I258 HydrophobicContact CB-CD1 4.06Å; F242-I258 HydrophobicContact CB-CG1 4.08Å; F242-I258 HydrophobicContact CD1-CD1 4.34Å; F242-I258 HydrophobicContact CD2-CD1 4.37Å; F242-I258 HydrophobicContact CG-CD1 4Å; F242-I258 HydrophobicContact CG-CG1 4.39Å; W256-I258 VanDerWaalsContact C-N 3.3Å; W256-I258 HydrophobicContact CD2-CB 4Å; W256-I258 HydrophobicContact CD2-CG2 4.41Å; W256-I258 HydrophobicContact CE3-CB 4.17Å; W256-I258 HydrophobicContact CE3-CD1 4.4Å; W256-I258 HydrophobicContact CE3-CG1 4.5Å; W256-I258 HydrophobicContact CH2-CB 4.29Å; W256-I258 HydrophobicContact CH2-CD1 4.42Å; W256-I258 HydrophobicContact CH2-CG1 4.09Å; W256-I258 HydrophobicContact CZ2-CB 4.12Å; W256-I258 HydrophobicContact CZ2-CG1 4.33Å; W256-I258 HydrophobicContact CZ2-CG2 4.01Å; W256-I258 HydrophobicContact CZ3-CB 4.32Å; W256-I258 HydrophobicContact CZ3-CD1 4.08Å; W256-I258 HydrophobicContact CZ3-CG1 4.19Å; W256-I258 PolarHBondContact O-N 2.86Å; W256-I258 VanDerWaalsContact O-N 3.14Å; I258-A261 PolarHBondContact O-N 2.85Å; I258-A262 WeakPolarHBondContact O-CB 3.38Å; I258-A262 PolarHBondContact O-N 2.91Å; I258-M393 HydrophobicContact CB-CE 4.28Å; I258-M393 HydrophobicContact CD1-CE 3.81Å; I258-M397 HydrophobicContact CD1-CE 3.51Å
259E91.1Very high88.5Confident140 Ų14058.6 Ų58.665%0.65428%0.284SS*.Hα-helixtrans-66.1-51.8179.5-175.3175.1-171.200110.8A261 A262 Q263E259-A261 VanDerWaalsContact C-N 3.32Å; E259-A261 PolarHBondContact O-N 3.37Å; E259-A262 PolarHBondContact O-N 3.5Å; E259-Q263 WeakPolarHBondContact O-CG 3.4Å; E259-Q263 PolarHBondContact O-N 3.31Å
260G91.6Very high88.9Confident20 Ų2057.6 Ų57.621%0.20628%0.278CS..Hα-helixtrans-63-38.9176.400000112.4D257 T264D257-G260 PolarHBondContact OD1-N 2.97Å; G260-T264 WeakPolarHBondContact O-CB 3.3Å; G260-T264 PolarHBondContact O-N 3.39Å; G260-T264 PolarHBondContact O-OG1 3.46Å
261A90.3Very high89.4Confident6 Ų654.2 Ų54.25%0.0527%0.27CS..Hα-helixtrans-66.9-43.8177.300000112.7D257 I258 E259 T264 Y265 M393 M397D257-A261 WeakPolarHBondContact O-CB 3.34Å; D257-A261 PolarHBondContact O-N 3.29Å; I258-A261 PolarHBondContact O-N 2.85Å; E259-A261 VanDerWaalsContact C-N 3.32Å; E259-A261 PolarHBondContact O-N 3.37Å; A261-T264 PolarHBondContact O-N 3.03Å; A261-Y265 HydrophobicContact CB-CD2 4.42Å; A261-Y265 WeakPolarHBondContact O-CB 3.41Å; A261-Y265 VanDerWaalsContact O-CD2 3.3Å; A261-Y265 WeakPolarHBondContact O-CD2 3.33Å; A261-Y265 PolarHBondContact O-N 3.21Å; A261-M393 HydrophobicContact CB-CB 3.89Å; A261-M393 HydrophobicContact CB-CE 3.68Å; A261-M393 HydrophobicContact CB-CG 4.23Å; A261-M397 HydrophobicContact CB-CG 3.93Å; A261-M397 HydrophobicContact CB-SD 4.36Å
262A90.9Very high89.9Confident9 Ų955.7 Ų55.77%0.07428%0.275CS..Iπ-helixtrans-63.9-44.2177.900000111.1I258 E259 T264 I266 Q267I258-A262 WeakPolarHBondContact O-CB 3.38Å; I258-A262 PolarHBondContact O-N 2.91Å; E259-A262 PolarHBondContact O-N 3.5Å; A262-T264 VanDerWaalsContact C-N 3.31Å; A262-T264 PolarHBondContact O-N 3.33Å; A262-I266 CarbonylContact O-C 3.57Å; A262-I266 WeakPolarHBondContact O-CA 3.2Å; A262-I266 WeakPolarHBondContact O-CB 3.45Å; A262-I266 PolarHBondContact O-N 3.25Å; A262-Q267 PolarHBondContact O-N 3.04Å
263Q91.2Very high90.2Very high119 Ų11955.8 Ų55.856%0.55628%0.276SS*.Iπ-helixtrans-62.5-37.3176.2-71.1177.71200112.5E259 Q267E259-Q263 WeakPolarHBondContact O-CG 3.4Å; E259-Q263 PolarHBondContact O-N 3.31Å; Q263-Q267 WeakPolarHBondContact O-CB 3.46Å
264T90.8Very high90.5Very high87 Ų8751.5 Ų51.553%0.53427%0.27SS..Iπ-helixtrans-79.3-43.2-176.9-56.60000112.9G260 A261 A262 P268G260-T264 WeakPolarHBondContact O-CB 3.3Å; G260-T264 PolarHBondContact O-N 3.39Å; G260-T264 PolarHBondContact O-OG1 3.46Å; A261-T264 PolarHBondContact O-N 3.03Å; A262-T264 VanDerWaalsContact C-N 3.31Å; A262-T264 PolarHBondContact O-N 3.33Å; T264-P268 WeakPolarHBondContact O-CG 3.42Å
265Y88.2Confident90.6Very high96 Ų9652.9 Ų52.938%0.37628%0.28SS..Iπ-helixtrans-105.9-37.8-169.5-62.9-74.8000114A261 M397A261-Y265 HydrophobicContact CB-CD2 4.42Å; A261-Y265 WeakPolarHBondContact O-CB 3.41Å; A261-Y265 VanDerWaalsContact O-CD2 3.3Å; A261-Y265 WeakPolarHBondContact O-CD2 3.33Å; A261-Y265 PolarHBondContact O-N 3.21Å; Y265-M397 HydrophobicContact CD2-CB 3.94Å; Y265-M397 HydrophobicContact CD2-CG 3.86Å; Y265-M397 HydrophobicContact CG-CB 4.04Å; Y265-M397 HydrophobicContact CG-CG 4.35Å
266I90.9Very high90.6Very high0 Ų047.7 Ų47.70%026%0.258CS..Iπ-helixtrans-95.2-42.8-171.9-58.1-61.7000111.2F242 A262 P268 L269 L270 I281 M397 L401 L404F242-I266 HydrophobicContact CZ-CD1 4.48Å; F242-I266 HydrophobicContact CZ-CG1 4.16Å; A262-I266 CarbonylContact O-C 3.57Å; A262-I266 WeakPolarHBondContact O-CA 3.2Å; A262-I266 WeakPolarHBondContact O-CB 3.45Å; A262-I266 PolarHBondContact O-N 3.25Å; I266-P268 VanDerWaalsContact C-CD 3.46Å; I266-L269 WeakPolarHBondContact O-CB 3.41Å; I266-L269 PolarHBondContact O-N 3.44Å; I266-L270 HydrophobicContact CG2-CD1 3.76Å; I266-L270 HydrophobicContact CG2-CD2 4.38Å; I266-L270 HydrophobicContact CG2-CG 3.83Å; I266-L270 WeakPolarHBondContact O-CG 3.46Å; I266-L270 PolarHBondContact O-N 2.91Å; I266-I281 HydrophobicContact CG2-CD1 4.31Å; I266-M397 HydrophobicContact CD1-SD 4.45Å; I266-M397 HydrophobicContact CG1-SD 4.14Å; I266-L401 HydrophobicContact CD1-CB 4.47Å; I266-L404 HydrophobicContact CD1-CD2 4.22Å; I266-L404 HydrophobicContact CG2-CD2 4.32Å
267Q91.5Very high90.5Very high87 Ų8746.4 Ų46.441%0.40725%0.252SS..Hα-helixtrans-56.3-40.4-177.9-168.762.335.600113.9A262 Q263 L269 L270 T271A262-Q267 PolarHBondContact O-N 3.04Å; Q263-Q267 WeakPolarHBondContact O-CB 3.46Å; Q267-L269 VanDerWaalsContact C-N 3.31Å; Q267-L269 PolarHBondContact O-N 3.45Å; Q267-L270 PolarHBondContact O-N 3.4Å; Q267-T271 PolarHBondContact NE2-OG1 3.16Å; Q267-T271 VanDerWaalsContact O-CB 3.31Å; Q267-T271 WeakPolarHBondContact O-CB 2.95Å; Q267-T271 PolarHBondContact O-N 2.97Å; Q267-T271 PolarHBondContact O-OG1 2.97Å
268P92.3Very high90.5Very high39 Ų3947.3 Ų47.325%0.25326%0.257SS..Hα-helixtrans-61.6-38.5176-25.136.8000113T264 I266 K272T264-P268 WeakPolarHBondContact O-CG 3.42Å; I266-P268 VanDerWaalsContact C-CD 3.46Å; P268-K272 WeakPolarHBondContact O-CB 3.25Å; P268-K272 PolarHBondContact O-N 3.24Å
269L90.9Very high90.6Very high0 Ų048.7 Ų48.70%026%0.263CS..Hα-helixtrans-65.7-50.6176.3174.366000110.6I266 Q267 T271 K272 M273 L401 L404 R405 T427 L429I266-L269 WeakPolarHBondContact O-CB 3.41Å; I266-L269 PolarHBondContact O-N 3.44Å; Q267-L269 VanDerWaalsContact C-N 3.31Å; Q267-L269 PolarHBondContact O-N 3.45Å; L269-T271 VanDerWaalsContact C-N 3.33Å; L269-T271 PolarHBondContact O-N 3.21Å; L269-K272 WeakPolarHBondContact O-CB 3.18Å; L269-K272 PolarHBondContact O-N 3.34Å; L269-M273 HydrophobicContact CD1-CG 4.3Å; L269-M273 HydrophobicContact CD1-SD 3.8Å; L269-M273 HydrophobicContact CG-SD 4.07Å; L269-M273 WeakPolarHBondContact O-CG 3.26Å; L269-M273 PolarHBondContact O-N 3Å; L269-L401 HydrophobicContact CD2-CG 4.44Å; L269-L404 HydrophobicContact CD2-CD2 3.89Å; L269-L404 HydrophobicContact CD2-CG 4.42Å; L269-R405 HydrophobicContact CD2-CG 4.49Å; L269-T427 VanDerWaalsContact CA-O 3.3Å; L269-T427 WeakPolarHBondContact CA-O 3.3Å; L269-T427 PolarHBondContact N-O 2.99Å; L269-L429 HydrophobicContact CD1-CB 3.56Å; L269-L429 HydrophobicContact CD1-CD2 4.25Å; L269-L429 HydrophobicContact CD1-CG 4.37Å
270L91.4Very high90.5Very high8 Ų844.1 Ų44.14%0.04225%0.246CC..Hα-helixtrans-64-39.1-178.8-60.3-174.5000112.3I240 I266 Q267 K272 M273 S274 F279 I281I240-L270 HydrophobicContact CD1-CD1 4.18Å; I240-L270 HydrophobicContact CD1-CD2 3.81Å; I266-L270 HydrophobicContact CG2-CD1 3.76Å; I266-L270 HydrophobicContact CG2-CD2 4.38Å; I266-L270 HydrophobicContact CG2-CG 3.83Å; I266-L270 WeakPolarHBondContact O-CG 3.46Å; I266-L270 PolarHBondContact O-N 2.91Å; Q267-L270 PolarHBondContact O-N 3.4Å; L270-K272 VanDerWaalsContact C-N 3.29Å; L270-K272 PolarHBondContact O-N 2.9Å; L270-M273 CarbonylContact O-C 3.59Å; L270-M273 PolarHBondContact O-N 2.9Å; L270-M273 VanDerWaalsContact O-N 3.14Å; L270-S274 PolarHBondContact O-N 3.49Å; L270-F279 HydrophobicContact CB-CB 4.48Å; L270-F279 HydrophobicContact CB-CD2 4.23Å; L270-F279 HydrophobicContact CB-CG 4.46Å; L270-F279 HydrophobicContact CD1-CB 3.93Å; L270-F279 HydrophobicContact CD1-CG 4.44Å; L270-F279 HydrophobicContact CD2-CB 4.15Å; L270-F279 HydrophobicContact CD2-CD1 3.88Å; L270-F279 HydrophobicContact CD2-CD2 4.04Å; L270-F279 HydrophobicContact CD2-CE1 4.28Å; L270-F279 HydrophobicContact CD2-CE2 4.42Å; L270-F279 HydrophobicContact CD2-CG 3.75Å; L270-F279 HydrophobicContact CG-CB 4.41Å; L270-F279 HydrophobicContact CG-CG 4.43Å; L270-I281 HydrophobicContact CD1-CD1 3.44Å; L270-I281 VanDerWaalsContact CD1-CD1 3.44Å; L270-I281 HydrophobicContact CD1-CG1 3.76Å
271T91.9Very high90.5Very high79 Ų7945.9 Ų45.949%0.48525%0.251SS..Hα-helixtrans-60.7-42.5176.4-56.80000110.5Q267 L269 M273 S274Q267-T271 PolarHBondContact NE2-OG1 3.16Å; Q267-T271 VanDerWaalsContact O-CB 3.31Å; Q267-T271 WeakPolarHBondContact O-CB 2.95Å; Q267-T271 PolarHBondContact O-N 2.97Å; Q267-T271 PolarHBondContact O-OG1 2.97Å; L269-T271 VanDerWaalsContact C-N 3.33Å; L269-T271 PolarHBondContact O-N 3.21Å; T271-M273 VanDerWaalsContact C-N 3.32Å; T271-M273 PolarHBondContact O-N 3.41Å; T271-S274 WeakPolarHBondContact O-CB 3.23Å; T271-S274 PolarHBondContact O-N 3.43Å; T271-S274 PolarHBondContact O-OG 3.06Å
272K90.5Very high90.5Very high36 Ų3649 Ų4916%0.15727%0.267CS..Hα-helixtrans-67.1-32.7176.3-172.8166.5-178.4170.90112.8P268 L269 L270 P275 L429 D431 L434P268-K272 WeakPolarHBondContact O-CB 3.25Å; P268-K272 PolarHBondContact O-N 3.24Å; L269-K272 WeakPolarHBondContact O-CB 3.18Å; L269-K272 PolarHBondContact O-N 3.34Å; L270-K272 VanDerWaalsContact C-N 3.29Å; L270-K272 PolarHBondContact O-N 2.9Å; K272-P275 WeakPolarHBondContact O-CD 3.32Å; K272-L429 HydrophobicContact CD-CB 4.32Å; K272-L429 PolarHBondContact NZ-O 2.92Å; K272-D431 WeakPolarHBondContact CE-OD1 3.48Å; K272-D431 IonicContact NZ-OD1 3.76Å; K272-D431 PolarHBondContact NZ-OD1 2.87Å; K272-L434 HydrophobicContact CG-CD2 4.18Å
273M90.3Very high90.5Very high2 Ų252.1 Ų52.11%0.0129%0.288CS..Hα-helixtrans-87.7-0.8178.6-65.3-174.570.400114.3L269 L270 T271 P275 V276 A277 F279 L408 L429 L434 L437L269-M273 HydrophobicContact CD1-CG 4.3Å; L269-M273 HydrophobicContact CD1-SD 3.8Å; L269-M273 HydrophobicContact CG-SD 4.07Å; L269-M273 WeakPolarHBondContact O-CG 3.26Å; L269-M273 PolarHBondContact O-N 3Å; L270-M273 CarbonylContact O-C 3.59Å; L270-M273 PolarHBondContact O-N 2.9Å; L270-M273 VanDerWaalsContact O-N 3.14Å; T271-M273 VanDerWaalsContact C-N 3.32Å; T271-M273 PolarHBondContact O-N 3.41Å; M273-P275 VanDerWaalsContact C-N 3.26Å; M273-P275 VanDerWaalsContact O-N 3.14Å; M273-V276 WeakPolarHBondContact O-CB 3.41Å; M273-V276 PolarHBondContact O-N 2.84Å; M273-A277 PolarHBondContact O-N 3.19Å; M273-F279 HydrophobicContact CB-CE2 3.73Å; M273-F279 HydrophobicContact CB-CZ 4.05Å; M273-F279 HydrophobicContact CE-CZ 4.46Å; M273-L408 HydrophobicContact CE-CB 4.01Å; M273-L408 HydrophobicContact CE-CD1 3.66Å; M273-L408 HydrophobicContact CE-CG 4.35Å; M273-L408 HydrophobicContact SD-CD1 3.73Å; M273-L429 HydrophobicContact CG-CD2 3.8Å; M273-L429 HydrophobicContact SD-CD2 4.23Å; M273-L434 HydrophobicContact CG-CD1 4.43Å; M273-L437 HydrophobicContact CE-CD2 3.57Å
274S90.3Very high90.4Very high67 Ų6748.9 Ų48.947%0.46927%0.273SS..THydrogen-bonded Turntrans-52-31.5178.761.80000115.6L270 T271 V276L270-S274 PolarHBondContact O-N 3.49Å; T271-S274 WeakPolarHBondContact O-CB 3.23Å; T271-S274 PolarHBondContact O-N 3.43Å; T271-S274 PolarHBondContact O-OG 3.06Å; S274-V276 PolarHBondContact O-N 2.92Å
275P88.3Confident90.4Very high58 Ų5847.7 Ų47.738%0.37727%0.265SS..THydrogen-bonded Turntrans-68.7-23.7175.4-18.733.7000113.3K272 M273 M438K272-P275 WeakPolarHBondContact O-CD 3.32Å; M273-P275 VanDerWaalsContact C-N 3.26Å; M273-P275 VanDerWaalsContact O-N 3.14Å; P275-M438 HydrophobicContact CB-CE 3.82Å; P275-M438 HydrophobicContact CG-CE 4.23Å
276V88.6Confident90.4Very high14 Ų1444.7 Ų44.79%0.08526%0.255CS..THydrogen-bonded Turntrans-81.9-52.9-178.8-176.70000109.9M273 S274 L434 L437 M438 R441 L499M273-V276 WeakPolarHBondContact O-CB 3.41Å; M273-V276 PolarHBondContact O-N 2.84Å; S274-V276 PolarHBondContact O-N 2.92Å; V276-L434 HydrophobicContact CG2-CD1 3.8Å; V276-L437 HydrophobicContact CG1-CD2 4.47Å; V276-L437 HydrophobicContact CG2-CD2 4.49Å; V276-M438 HydrophobicContact CG2-CE 4.2Å; V276-M438 HydrophobicContact CG2-CG 4.28Å; V276-R441 HydrophobicContact CG1-CG 4.32Å; V276-L499 HydrophobicContact CG2-CD2 4.24Å
277A88.6Confident90.3Very high0 Ų049.7 Ų49.70%028%0.278CS..  trans-152160.9-176.100000112.4Y238 M273 F279Y238-A277 HydrophobicContact CD2-CB 3.51Å; Y238-A277 HydrophobicContact CE2-CB 3.51Å; M273-A277 PolarHBondContact O-N 3.19Å; A277-F279 HydrophobicContact CB-CE1 4.37Å; A277-F279 HydrophobicContact CB-CE2 4.18Å; A277-F279 HydrophobicContact CB-CZ 3.89Å; A277-F279 VanDerWaalsContact O-CD2 3.27Å; A277-F279 WeakPolarHBondContact O-CD2 3.49Å; A277-F279 WeakPolarHBondContact O-CE2 3.15Å
278N90.9Very high89.9Confident111 Ų11152.1 Ų52.159%0.59429%0.285SS*.EExtended strand (participates in β ladder)trans-86.6137.4171.7-65.6-6.5000109.3P236 G237 Y238P236-N278 PolarHBondContact O-N 2.97Å; G237-N278 CarbonylContact C-O 3.59Å; G237-N278 WeakPolarHBondContact CA-O 3.46Å; Y238-N278 PolarHBondContact N-O 3.37Å
279F91.3Very high89.4Confident45 Ų4550.4 Ų50.420%0.19727%0.274CS..EExtended strand (participates in β ladder)trans-121.9131.6-177.8-59.2-83.2000110.6Y238 I240 L270 M273 A277 L408Y238-F279 HydrophobicContact CD2-CD1 4.19Å; Y238-F279 AromaticContact CD2-CE1 3.57Å; Y238-F279 HydrophobicContact CD2-CE1 3.57Å; Y238-F279 HydrophobicContact CD2-CZ 4.21Å; Y238-F279 HydrophobicContact CE2-CE1 4.46Å; Y238-F279 HydrophobicContact CG-CD1 4.45Å; Y238-F279 HydrophobicContact CG-CE1 4.12Å; Y238-F279 WeakPolarHBondContact O-CA 3.28Å; I240-F279 HydrophobicContact CD1-CD1 4.13Å; L270-F279 HydrophobicContact CB-CB 4.48Å; L270-F279 HydrophobicContact CB-CD2 4.23Å; L270-F279 HydrophobicContact CB-CG 4.46Å; L270-F279 HydrophobicContact CD1-CB 3.93Å; L270-F279 HydrophobicContact CD1-CG 4.44Å; L270-F279 HydrophobicContact CD2-CB 4.15Å; L270-F279 HydrophobicContact CD2-CD1 3.88Å; L270-F279 HydrophobicContact CD2-CD2 4.04Å; L270-F279 HydrophobicContact CD2-CE1 4.28Å; L270-F279 HydrophobicContact CD2-CE2 4.42Å; L270-F279 HydrophobicContact CD2-CG 3.75Å; L270-F279 HydrophobicContact CG-CB 4.41Å; L270-F279 HydrophobicContact CG-CG 4.43Å; M273-F279 HydrophobicContact CB-CE2 3.73Å; M273-F279 HydrophobicContact CB-CZ 4.05Å; M273-F279 HydrophobicContact CE-CZ 4.46Å; A277-F279 HydrophobicContact CB-CE1 4.37Å; A277-F279 HydrophobicContact CB-CE2 4.18Å; A277-F279 HydrophobicContact CB-CZ 3.89Å; A277-F279 VanDerWaalsContact O-CD2 3.27Å; A277-F279 WeakPolarHBondContact O-CD2 3.49Å; A277-F279 WeakPolarHBondContact O-CE2 3.15Å; F279-L408 HydrophobicContact CE1-CD1 4.37Å; F279-L408 HydrophobicContact CE1-CD2 3.94Å
280S90.5Very high88.9Confident43 Ų4355.8 Ų55.830%0.30130%0.3SS..EExtended strand (participates in β ladder)trans-107.8145.4163.657.50000109.7Y238 E239 I240Y238-S280 PolarHBondContact O-N 3.35Å; E239-S280 WeakPolarHBondContact CA-OG 3.31Å; E239-S280 WeakPolarHBondContact CB-OG 3.42Å; E239-S280 WeakPolarHBondContact CG-OG 3.17Å; I240-S280 PolarHBondContact N-O 2.86Å
281I91.1Very high88.1Confident58 Ų5855.8 Ų55.830%0.29730%0.3SS..EExtended strand (participates in β ladder)trans-120.2124.3176.2-61.3162.7000108.5I240 F242 I266 L270I240-I281 CarbonylContact O-C 3.44Å; I240-I281 WeakPolarHBondContact O-CA 3.48Å; F242-I281 HydrophobicContact CD2-CG2 3.92Å; F242-I281 HydrophobicContact CE2-CG2 3.92Å; I266-I281 HydrophobicContact CG2-CD1 4.31Å; L270-I281 HydrophobicContact CD1-CD1 3.44Å; L270-I281 VanDerWaalsContact CD1-CD1 3.44Å; L270-I281 HydrophobicContact CD1-CG1 3.76Å
282D89.8Confident87.2Confident72 Ų7254.6 Ų54.639%0.38530%0.304SS..EExtended strand (participates in β ladder)trans-117.1151.4171.7-66.5-41.4000110.1I240 T241 F242I240-D282 PolarHBondContact O-N 3.25Å; T241-D282 WeakPolarHBondContact CA-O 3.38Å; T241-D282 HydrophobicContact CG2-CB 4.39Å; F242-D282 PolarHBondContact N-O 3.45Å
283S91.1Very high86.7Confident74 Ų7454.2 Ų54.252%0.51731%0.305SS..EExtended strand (participates in β ladder)trans-135.5143.9173.3710000111.2F242F242-S283 CarbonylContact O-C 3.58Å; F242-S283 VanDerWaalsContact O-CA 3.26Å; F242-S283 WeakPolarHBondContact O-CA 3.08Å
284Q90.1Very high86Confident51 Ų5161.5 Ų61.524%0.23834%0.344CS..EExtended strand (participates in β ladder)trans-146.5153.4179.862.3-176.4-8.300111.9T241 F242 S243 L244T241-Q284 HydrophobicContact CG2-CG 4.34Å; F242-Q284 PolarHBondContact O-N 2.64Å; S243-Q284 WeakPolarHBondContact CA-O 3.36Å; S243-Q284 WeakPolarHBondContact OG-CG 3.19Å; S243-Q284 PolarHBondContact OG-NE2 3.41Å; L244-Q284 PolarHBondContact N-O 2.99Å
285T90.6Very high85.4Confident61 Ų6159.6 Ų59.637%0.37433%0.329SS..EExtended strand (participates in β ladder)trans-122.1122173.6-56.80000108.7L244 W256L244-T285 HydrophobicContact CB-CG2 4.23Å; L244-T285 HydrophobicContact CD2-CG2 4.08Å; L244-T285 HydrophobicContact CG-CG2 4.31Å; W256-T285 PolarHBondContact NE1-OG1 2.89Å
286L88.5Confident85Confident33 Ų3365.6 Ų65.617%0.17335%0.345CS..EExtended strand (participates in β ladder)trans-110.7114.4-177.4-64.2178.6000109.4L244 L245 N246 A289 L322L244-L286 PolarHBondContact O-N 3.38Å; L245-L286 HydrophobicContact CD2-CB 4.03Å; L245-L286 HydrophobicContact CD2-CD1 3.85Å; N246-L286 PolarHBondContact N-O 3.44Å; L286-A289 HydrophobicContact CB-CB 3.97Å; L286-L322 HydrophobicContact CD1-CD2 3.96Å
287H87.2Confident84.6Confident105 Ų10569.8 Ų69.849%0.48636%0.362SS..EExtended strand (participates in β ladder)trans-91.4151174.9-60.9-68.3000111.3N246 A289N246-H287 CarbonylContact O-C 3.52Å; N246-H287 WeakPolarHBondContact O-CA 3.32Å; H287-A289 PolarHBondContact O-N 3.48Å
288Y84.3Confident84.2Confident138 Ų13871.4 Ų71.454%0.54137%0.371SS..THydrogen-bonded Turntrans58.530.4-177.7-52.9-78000113.2N246 P249 R321N246-Y288 PolarHBondContact O-N 3.49Å; P249-Y288 HydrophobicContact CG-CD1 4.26Å; P249-Y288 HydrophobicContact CG-CD2 4.35Å; P249-Y288 HydrophobicContact CG-CE1 3.63Å; P249-Y288 HydrophobicContact CG-CE2 3.72Å; P249-Y288 WeakPolarHBondContact CG-OH 3.4Å; Y288-R321 PolarHBondContact O-NH1 2.81Å
289A82.3Confident83.3Confident3 Ų372.6 Ų72.63%0.02538%0.377CS..  trans-101.7110-179.500000110.9L245 L286 H287L245-A289 HydrophobicContact CD2-CB 3.42Å; L245-A289 VanDerWaalsContact CD2-CB 3.42Å; L286-A289 HydrophobicContact CB-CB 3.97Å; H287-A289 PolarHBondContact O-N 3.48Å
290M80.1Confident82.3Confident113 Ų11375.9 Ų75.956%0.55740%0.401SS*.  trans-98.6151.5176.7-63178176.400110.1P247 G292P247-M290 HydrophobicContact CB-CG 4.05Å; M290-G292 PolarHBondContact O-N 3.01Å
291L75.1Confident81.1Confident8 Ų881.2 Ų81.24%0.04241%0.414CS..  trans-66.8-0.7-179.8-70.8163.5000114.3L245 V293 L306 V314 Y338 L347L245-L291 HydrophobicContact CD1-CD2 4.49Å; L291-V293 HydrophobicContact CB-CG2 3.86Å; L291-V293 PolarHBondContact O-N 3.29Å; L291-V293 VanDerWaalsContact O-N 3.08Å; L291-L306 HydrophobicContact CD1-CD1 4.31Å; L291-V314 HydrophobicContact CB-CG1 4.12Å; L291-V314 HydrophobicContact CD2-CG1 3.39Å; L291-V314 HydrophobicContact CG-CG1 4.34Å; L291-Y338 HydrophobicContact CD1-CD1 3.36Å; L291-Y338 HydrophobicContact CD1-CD2 3.94Å; L291-Y338 HydrophobicContact CD1-CE1 3.29Å; L291-Y338 HydrophobicContact CD1-CE2 3.93Å; L291-Y338 HydrophobicContact CD1-CG 3.66Å; L291-Y338 HydrophobicContact CD2-CD2 4Å; L291-Y338 HydrophobicContact CD2-CG 4Å; L291-Y338 HydrophobicContact CG-CD1 4.05Å; L291-Y338 HydrophobicContact CG-CD2 3.65Å; L291-Y338 HydrophobicContact CG-CE1 4.02Å; L291-Y338 HydrophobicContact CG-CE2 3.67Å; L291-Y338 HydrophobicContact CG-CG 3.83Å; L291-L347 HydrophobicContact CD1-CD2 4.13Å
292G73.1Confident80.4Confident54 Ų5482.6 Ų82.656%0.55743%0.429SS*.SBendtrans66.67.5179.900000114.7M290M290-G292 PolarHBondContact O-N 3.01Å
293V78.2Confident79.9Confident29 Ų2979.3 Ų79.318%0.17641%0.412CS..SBendtrans-126.2142.5179.1-66.20000110L291 L306 H313 V314L291-V293 HydrophobicContact CB-CG2 3.86Å; L291-V293 PolarHBondContact O-N 3.29Å; L291-V293 VanDerWaalsContact O-N 3.08Å; V293-L306 HydrophobicContact CB-CD2 4.27Å; V293-L306 HydrophobicContact CG2-CD2 3.54Å; V293-H313 HydrophobicContact CG1-CB 4.23Å; V293-V314 HydrophobicContact CB-CG2 4.38Å; V293-V314 HydrophobicContact CG1-CG2 3.8Å; V293-V314 HydrophobicContact CG2-CG2 3.62Å
294N75.8Confident79.5Confident155 Ų15578.2 Ų78.283%0.82940%0.397SS*.  trans-93.7116178.8-66.6-29.5000109.6
295P78.9Confident79.2Confident26 Ų2676.3 Ų76.317%0.16939%0.388CS..PPolyproline II helixtrans-71147.5179.630.1-34.3000111.1Y304 L306 H344 L347P295-Y304 HydrophobicContact CB-CD1 3.97Å; P295-Y304 HydrophobicContact CB-CG 4.4Å; P295-Y304 HydrophobicContact CG-CD1 3.72Å; P295-Y304 HydrophobicContact CG-CE1 4.48Å; P295-Y304 HydrophobicContact CG-CG 4.28Å; P295-L306 HydrophobicContact CB-CG 4.5Å; P295-H344 HydrophobicContact CG-CB 4.19Å; P295-L347 HydrophobicContact CB-CD1 3.63Å; P295-L347 HydrophobicContact CG-CD1 4.31Å
296R79.5Confident78.9Confident185 Ų18573.7 Ų73.770%0.69837%0.372SS*.EExtended strand (participates in β ladder)trans-91.7128.6176.6-67.3-174.5179.9-176.21.3109.6M305R296-M305 PolarHBondContact N-O 3.42Å; R296-M305 PolarHBondContact O-N 3.4Å
297F80.1Confident78.6Confident101 Ų10174.7 Ų74.744%0.44338%0.377SS..EExtended strand (participates in β ladder)trans-78.3124.6175.9-169.6-105.1000110.4N299 Y304F297-N299 VanDerWaalsContact CD1-OD1 3.22Å; F297-N299 WeakPolarHBondContact CD1-OD1 3.35Å; F297-N299 WeakPolarHBondContact CE1-OD1 3.35Å; F297-Y304 HydrophobicContact CB-CD1 4.23Å; F297-Y304 HydrophobicContact CB-CE1 3.99Å; F297-Y304 HydrophobicContact CD2-CD1 4.13Å; F297-Y304 AromaticContact CD2-CD2 3.9Å; F297-Y304 HydrophobicContact CD2-CD2 3.9Å; F297-Y304 AromaticContact CD2-CE1 3.9Å; F297-Y304 HydrophobicContact CD2-CE1 3.9Å; F297-Y304 AromaticContact CD2-CE2 3.61Å; F297-Y304 HydrophobicContact CD2-CE2 3.61Å; F297-Y304 HydrophobicContact CD2-CG 4.16Å; F297-Y304 AromaticContact CD2-CZ 3.64Å; F297-Y304 HydrophobicContact CE2-CD2 4.34Å; F297-Y304 AromaticContact CE2-CE2 3.96Å; F297-Y304 HydrophobicContact CE2-CE2 3.96Å; F297-Y304 HydrophobicContact CG-CE1 4.39Å
298D79.3Confident78.2Confident35 Ų3571 Ų7119%0.18737%0.365CS..EExtended strand (participates in β ladder)trans-100.3107.9173.8-176-2.6000109.6T300 R301 S302 A303 M305D298-T300 PolarHBondContact O-N 3.29Å; D298-T300 VanDerWaalsContact O-N 3.15Å; D298-T300 WeakPolarHBondContact OD1-CB 3.35Å; D298-T300 PolarHBondContact OD1-N 3.43Å; D298-T300 PolarHBondContact OD1-OG1 3.11Å; D298-T300 PolarHBondContact OD2-OG1 3.34Å; D298-T300 VanDerWaalsContact OD2-OG1 3.13Å; D298-R301 PolarHBondContact O-N 3.34Å; D298-R301 IonicContact OD2-NH1 3.94Å; D298-R301 PolarHBondContact OD2-NH1 3.05Å; D298-S302 PolarHBondContact O-N 2.96Å; D298-A303 PolarHBondContact N-O 3.15Å; D298-M305 HydrophobicContact CB-CG 4.09Å; D298-M305 HydrophobicContact CB-SD 3.69Å
299N72Confident77.9Confident135 Ų13570.7 Ų70.772%0.72237%0.372SS*.THydrogen-bonded Turntrans-59.1-23.7178.9-81.8-5.7000113.3F297F297-N299 VanDerWaalsContact CD1-OD1 3.22Å; F297-N299 WeakPolarHBondContact CD1-OD1 3.35Å; F297-N299 WeakPolarHBondContact CE1-OD1 3.35Å
300T70.5Confident77.7Confident114 Ų11472.1 Ų72.170%0.69938%0.383SS*.THydrogen-bonded Turntrans-78.1-24.1-177.364.80000113.2D298D298-T300 PolarHBondContact O-N 3.29Å; D298-T300 VanDerWaalsContact O-N 3.15Å; D298-T300 WeakPolarHBondContact OD1-CB 3.35Å; D298-T300 PolarHBondContact OD1-N 3.43Å; D298-T300 PolarHBondContact OD1-OG1 3.11Å; D298-T300 PolarHBondContact OD2-OG1 3.34Å; D298-T300 VanDerWaalsContact OD2-OG1 3.13Å
301R66.2Low77.7Confident155 Ų15567.5 Ų67.559%0.58536%0.36SS*.THydrogen-bonded Turntrans-119.91.2-176.1-65.3-176.2-178.999.8-2.9113.5D298 A303D298-R301 PolarHBondContact O-N 3.34Å; D298-R301 IonicContact OD2-NH1 3.94Å; D298-R301 PolarHBondContact OD2-NH1 3.05Å; R301-A303 PolarHBondContact O-N 3.38Å; R301-A303 VanDerWaalsContact O-N 3.16Å
302S76.9Confident77.7Confident88 Ų8870.2 Ų70.262%0.61538%0.384SS*.THydrogen-bonded Turntrans48.540.6-177.6-55.80000112.4D298D298-S302 PolarHBondContact O-N 2.96Å
303A79.1Confident78.1Confident2 Ų273.7 Ų73.72%0.01739%0.385CS..EExtended strand (participates in β ladder)trans-142.8153.3-174.200000111.5D298 R301 P346 Y348D298-A303 PolarHBondContact N-O 3.15Å; R301-A303 PolarHBondContact O-N 3.38Å; R301-A303 VanDerWaalsContact O-N 3.16Å; A303-P346 HydrophobicContact CB-CG 3.97Å; A303-Y348 HydrophobicContact CB-CD2 3.78Å; A303-Y348 HydrophobicContact CB-CE2 4.01Å
304Y82.7Confident78.2Confident52 Ų5272.3 Ų72.320%0.20438%0.377CS..EExtended strand (participates in β ladder)trans-83.6136.2174.4-75.5-86.3000110P295 F297 Y343 H344 P346 L347 Y348P295-Y304 HydrophobicContact CB-CD1 3.97Å; P295-Y304 HydrophobicContact CB-CG 4.4Å; P295-Y304 HydrophobicContact CG-CD1 3.72Å; P295-Y304 HydrophobicContact CG-CE1 4.48Å; P295-Y304 HydrophobicContact CG-CG 4.28Å; F297-Y304 HydrophobicContact CB-CD1 4.23Å; F297-Y304 HydrophobicContact CB-CE1 3.99Å; F297-Y304 HydrophobicContact CD2-CD1 4.13Å; F297-Y304 AromaticContact CD2-CD2 3.9Å; F297-Y304 HydrophobicContact CD2-CD2 3.9Å; F297-Y304 AromaticContact CD2-CE1 3.9Å; F297-Y304 HydrophobicContact CD2-CE1 3.9Å; F297-Y304 AromaticContact CD2-CE2 3.61Å; F297-Y304 HydrophobicContact CD2-CE2 3.61Å; F297-Y304 HydrophobicContact CD2-CG 4.16Å; F297-Y304 AromaticContact CD2-CZ 3.64Å; F297-Y304 HydrophobicContact CE2-CD2 4.34Å; F297-Y304 AromaticContact CE2-CE2 3.96Å; F297-Y304 HydrophobicContact CE2-CE2 3.96Å; F297-Y304 HydrophobicContact CG-CE1 4.39Å; Y304-Y343 WeakPolarHBondContact CE2-O 3.49Å; Y304-Y343 PolarHBondContact OH-O 3.38Å; Y304-H344 HydrophobicContact CD1-CB 4.44Å; Y304-H344 AromaticContact CD1-CD2 3.95Å; Y304-H344 VanDerWaalsContact CD2-C 3.46Å; Y304-H344 VanDerWaalsContact CD2-CA 3.48Å; Y304-H344 HydrophobicContact CD2-CB 4.23Å; Y304-H344 WeakPolarHBondContact CD2-O 3.19Å; Y304-H344 AromaticContact CE1-CD2 3.58Å; Y304-H344 HydrophobicContact CE2-CB 4.45Å; Y304-H344 HydrophobicContact CG-CB 4.21Å; Y304-H344 AromaticContact CZ-CD2 3.91Å; Y304-P346 PolarHBondContact N-O 3.33Å; Y304-L347 CarbonylContact O-C 3.34Å; Y304-L347 WeakPolarHBondContact O-CA 3.1Å; Y304-Y348 PolarHBondContact O-N 3.46Å
305M82.7Confident78.5Confident10 Ų1065.7 Ų65.75%0.04934%0.341CS..EExtended strand (participates in β ladder)trans-123.6138.5-175.6-53.9-165.696.400112.1R296 D298 Y348 Q350R296-M305 PolarHBondContact N-O 3.42Å; R296-M305 PolarHBondContact O-N 3.4Å; D298-M305 HydrophobicContact CB-CG 4.09Å; D298-M305 HydrophobicContact CB-SD 3.69Å; M305-Y348 VanDerWaalsContact CA-O 3.31Å; M305-Y348 WeakPolarHBondContact CA-O 3.43Å; M305-Q350 HydrophobicContact CB-CG 4.44Å; M305-Q350 HydrophobicContact CE-CG 3.48Å; M305-Q350 VanDerWaalsContact CE-CG 3.48Å; M305-Q350 HydrophobicContact SD-CG 4.31Å; M305-Q350 PolarHBondContact SD-NE2 3Å; M305-Q350 VanDerWaalsContact SD-NE2 3.42Å
306L84.1Confident78.7Confident6 Ų669.7 Ų69.73%0.03136%0.361CS..EExtended strand (participates in β ladder)trans-112.4125.6171-80.5164.8000110.1L291 V293 P295 L311 L347 Y348 I349 Q350L291-L306 HydrophobicContact CD1-CD1 4.31Å; V293-L306 HydrophobicContact CB-CD2 4.27Å; V293-L306 HydrophobicContact CG2-CD2 3.54Å; P295-L306 HydrophobicContact CB-CG 4.5Å; L306-L311 HydrophobicContact CB-CD2 4.2Å; L306-L347 HydrophobicContact CD1-CD1 3.88Å; L306-L347 HydrophobicContact CD1-CD2 3.77Å; L306-L347 HydrophobicContact CD1-CG 4.02Å; L306-L347 HydrophobicContact CG-CD1 3.97Å; L306-Y348 PolarHBondContact N-O 2.88Å; L306-I349 HydrophobicContact CB-CG1 4.49Å; L306-Q350 PolarHBondContact O-N 2.82Å
307N83.4Confident78.7Confident54 Ų5463 Ų6329%0.28934%0.342SS..EExtended strand (participates in β ladder)trans-80.7146.9177-67.7-12.6000110.5D309 S310 L311 Q350N307-D309 PolarHBondContact O-N 3.39Å; N307-D309 VanDerWaalsContact O-N 3.17Å; N307-S310 PolarHBondContact N-OG 3.25Å; N307-S310 PolarHBondContact O-N 3.2Å; N307-S310 PolarHBondContact O-OG 3.44Å; N307-L311 PolarHBondContact O-N 3.08Å; N307-Q350 PolarHBondContact OD1-OE1 2.69Å
308A78.9Confident78.7Confident27 Ų2758.4 Ų58.422%0.22332%0.322CS..Hα-helixtrans-47.8-43.1174.200000113.6S310 L311 Q350 Q352A308-S310 PolarHBondContact O-N 3.36Å; A308-L311 VanDerWaalsContact O-CB 3.31Å; A308-L311 WeakPolarHBondContact O-CB 3.49Å; A308-L311 WeakPolarHBondContact O-CG 3.24Å; A308-L311 PolarHBondContact O-N 3.34Å; A308-L311 VanDerWaalsContact O-N 3.1Å; A308-Q350 PolarHBondContact N-O 2.94Å; A308-Q352 HydrophobicContact CB-CG 4.31Å
309D78.3Confident78.8Confident132 Ų13261.5 Ų61.571%0.70634%0.335SS*.Hα-helixtrans-63.8-29.5-179.3-54.4-34.4000113.1N307 L311N307-D309 PolarHBondContact O-N 3.39Å; N307-D309 VanDerWaalsContact O-N 3.17Å; D309-L311 VanDerWaalsContact C-N 3.34Å
310S77.8Confident79Confident34 Ų3459.3 Ų59.324%0.23834%0.336CS..Hα-helixtrans-80.7-14.1178.659.30000113.6N307 A308 A312 H313N307-S310 PolarHBondContact N-OG 3.25Å; N307-S310 PolarHBondContact O-N 3.2Å; N307-S310 PolarHBondContact O-OG 3.44Å; A308-S310 PolarHBondContact O-N 3.36Å; S310-A312 PolarHBondContact O-N 2.97Å; S310-H313 PolarHBondContact O-N 3.45Å
311L78.3Confident79.3Confident16 Ų1660.1 Ų60.18%0.08433%0.326CS..Hα-helixtrans-69.5-33.6-175.8-59.1178.3000112.6L306 N307 A308 D309 H313 V314 I349 F362L306-L311 HydrophobicContact CB-CD2 4.2Å; N307-L311 PolarHBondContact O-N 3.08Å; A308-L311 VanDerWaalsContact O-CB 3.31Å; A308-L311 WeakPolarHBondContact O-CB 3.49Å; A308-L311 WeakPolarHBondContact O-CG 3.24Å; A308-L311 PolarHBondContact O-N 3.34Å; A308-L311 VanDerWaalsContact O-N 3.1Å; D309-L311 VanDerWaalsContact C-N 3.34Å; L311-H313 PolarHBondContact O-N 3.42Å; L311-V314 WeakPolarHBondContact O-CB 3.36Å; L311-V314 PolarHBondContact O-N 3.28Å; L311-I349 HydrophobicContact CD1-CG2 3.79Å; L311-I349 HydrophobicContact CD2-CG1 4.43Å; L311-I349 HydrophobicContact CD2-CG2 4.27Å; L311-F362 HydrophobicContact CB-CD2 3.97Å; L311-F362 HydrophobicContact CB-CE1 4.33Å; L311-F362 HydrophobicContact CB-CE2 3.71Å; L311-F362 HydrophobicContact CB-CG 4.38Å; L311-F362 HydrophobicContact CB-CZ 3.88Å; L311-F362 HydrophobicContact CD1-CB 3.87Å; L311-F362 HydrophobicContact CD1-CD1 3.96Å; L311-F362 HydrophobicContact CD1-CD2 4.04Å; L311-F362 HydrophobicContact CD1-CE1 4.45Å; L311-F362 HydrophobicContact CD1-CG 3.71Å; L311-F362 HydrophobicContact CD2-CD1 3.91Å; L311-F362 HydrophobicContact CD2-CE1 3.69Å; L311-F362 HydrophobicContact CD2-CG 4.43Å; L311-F362 HydrophobicContact CD2-CZ 4.04Å; L311-F362 HydrophobicContact CG-CD1 4.36Å; L311-F362 HydrophobicContact CG-CD2 4.47Å; L311-F362 HydrophobicContact CG-CE1 4.36Å; L311-F362 HydrophobicContact CG-CE2 4.48Å; L311-F362 HydrophobicContact CG-CG 4.39Å; L311-F362 HydrophobicContact CG-CZ 4.4Å
312A76.1Confident79.8Confident65 Ų6553.4 Ų53.454%0.53730%0.302SS..G310 helixtrans-63-30.5175.600000112.1S310 V314S310-A312 PolarHBondContact O-N 2.97Å; A312-V314 VanDerWaalsContact C-N 3.28Å; A312-V314 PolarHBondContact O-N 3.49Å
313H81.1Confident79.1Confident126 Ų12651.6 Ų51.658%0.58330%0.297SS*.G310 helixtrans-77.7-11.4179.6-61.2-55.4000113.8V293 S310 L311 I315 P317V293-H313 HydrophobicContact CG1-CB 4.23Å; S310-H313 PolarHBondContact O-N 3.45Å; L311-H313 PolarHBondContact O-N 3.42Å; H313-I315 VanDerWaalsContact C-N 3.33Å; H313-P317 WeakPolarHBondContact O-CD 3.48Å
314V81.6Confident78Confident1 Ų156.9 Ų56.91%0.00633%0.334CS..G310 helixtrans-72.9-27.7176.9175.10000112L291 V293 L311 A312 P317 V318 F362 I370L291-V314 HydrophobicContact CB-CG1 4.12Å; L291-V314 HydrophobicContact CD2-CG1 3.39Å; L291-V314 HydrophobicContact CG-CG1 4.34Å; V293-V314 HydrophobicContact CB-CG2 4.38Å; V293-V314 HydrophobicContact CG1-CG2 3.8Å; V293-V314 HydrophobicContact CG2-CG2 3.62Å; L311-V314 WeakPolarHBondContact O-CB 3.36Å; L311-V314 PolarHBondContact O-N 3.28Å; A312-V314 VanDerWaalsContact C-N 3.28Å; A312-V314 PolarHBondContact O-N 3.49Å; V314-P317 WeakPolarHBondContact O-CD 3.27Å; V314-V318 HydrophobicContact CG1-CG2 4.2Å; V314-V318 WeakPolarHBondContact O-CB 3.32Å; V314-V318 WeakPolarHBondContact O-CG2 3.33Å; V314-F362 HydrophobicContact CB-CZ 4.48Å; V314-I370 HydrophobicContact CG1-CD1 4.05Å
315I80.8Confident76.7Confident16 Ų1657.6 Ų57.68%0.08234%0.341CS..Hα-helixtrans-66.9-54-170.4-63.9174.4000110.9H313 V318 E319 S364 W367H313-I315 VanDerWaalsContact C-N 3.33Å; I315-V318 PolarHBondContact O-N 3.38Å; I315-V318 VanDerWaalsContact O-N 3.14Å; I315-E319 WeakPolarHBondContact O-CB 3.5Å; I315-E319 PolarHBondContact O-N 3.3Å; I315-S364 WeakPolarHBondContact CD1-OG 3.09Å; I315-W367 HydrophobicContact CG2-CD2 4.04Å; I315-W367 HydrophobicContact CG2-CG 4.25Å; I315-W367 HydrophobicContact CG2-CZ2 3.92Å
316N82.4Confident75.1Confident110 Ų11061.9 Ų61.959%0.58838%0.378SS*.Hα-helixtrans-60.2-45.9-172.1-54.6-5.3000113.7V318 E319 A320N316-V318 VanDerWaalsContact C-N 3.26Å; N316-V318 PolarHBondContact O-N 3.25Å; N316-E319 PolarHBondContact O-N 2.97Å; N316-A320 PolarHBondContact O-N 3.45Å; N316-A320 VanDerWaalsContact O-N 3.11Å
317P80.9Confident73.6Confident45 Ų4566.7 Ų66.729%0.29242%0.419SS..Hα-helixtrans-64.7-31.1178.5-22.434.6000113.4H313 V314H313-P317 WeakPolarHBondContact O-CD 3.48Å; V314-P317 WeakPolarHBondContact O-CD 3.27Å
318V80.1Confident72.7Confident3 Ų366 Ų662%0.01842%0.419CS..Hα-helixtrans-78.3-45.6178.7173.70000110.1L245 V314 I315 N316 A320 R321 L322 L336L245-V318 HydrophobicContact CD1-CG1 4.38Å; L245-V318 HydrophobicContact CD1-CG2 4.49Å; V314-V318 HydrophobicContact CG1-CG2 4.2Å; V314-V318 WeakPolarHBondContact O-CB 3.32Å; V314-V318 WeakPolarHBondContact O-CG2 3.33Å; I315-V318 PolarHBondContact O-N 3.38Å; I315-V318 VanDerWaalsContact O-N 3.14Å; N316-V318 VanDerWaalsContact C-N 3.26Å; N316-V318 PolarHBondContact O-N 3.25Å; V318-A320 VanDerWaalsContact C-N 3.28Å; V318-A320 PolarHBondContact O-N 3.24Å; V318-R321 CarbonylContact O-C 3.51Å; V318-R321 WeakPolarHBondContact O-CA 3.36Å; V318-R321 WeakPolarHBondContact O-CB 3.47Å; V318-R321 PolarHBondContact O-N 3.34Å; V318-L322 HydrophobicContact CG1-CD1 4.23Å; V318-L322 HydrophobicContact CG1-CD2 4.33Å; V318-L322 HydrophobicContact CG1-CG 4.15Å; V318-L322 WeakPolarHBondContact O-CG 3.41Å; V318-L322 PolarHBondContact O-N 2.93Å; V318-L336 HydrophobicContact CG1-CD2 3.32Å
319E80.1Confident72.2Confident100 Ų10070.6 Ų70.647%0.46745%0.449SS..Hα-helixtrans-56.4-40.6177.4-175.7175.1-159.200112.3I315 N316 R321 L322I315-E319 WeakPolarHBondContact O-CB 3.5Å; I315-E319 PolarHBondContact O-N 3.3Å; N316-E319 PolarHBondContact O-N 2.97Å; E319-R321 PolarHBondContact O-N 2.81Å; E319-L322 PolarHBondContact O-N 2.77Å; E319-L322 VanDerWaalsContact O-N 3.13Å
320A77.9Confident72.4Confident89 Ų8966.7 Ų66.774%0.73643%0.428SS*.THydrogen-bonded Turntrans-60.3-18.2174.100000114.1N316 V318N316-A320 PolarHBondContact O-N 3.45Å; N316-A320 VanDerWaalsContact O-N 3.11Å; V318-A320 VanDerWaalsContact C-N 3.28Å; V318-A320 PolarHBondContact O-N 3.24Å
321R75.9Confident72.8Confident131 Ų13166.7 Ų66.749%0.49443%0.427SS..THydrogen-bonded Turntrans-106-16.9178.6-59.2178.2-176.5-141.15.5113Y288 V318 E319Y288-R321 PolarHBondContact O-NH1 2.81Å; V318-R321 CarbonylContact O-C 3.51Å; V318-R321 WeakPolarHBondContact O-CA 3.36Å; V318-R321 WeakPolarHBondContact O-CB 3.47Å; V318-R321 PolarHBondContact O-N 3.34Å; E319-R321 PolarHBondContact O-N 2.81Å
322L76.1Confident73.2Confident14 Ų1468 Ų687%0.07344%0.436CS..SBendtrans-70.2132.6169.7-60.9175000106.9L286 V318 E319 S324 N334 L336 W367L286-L322 HydrophobicContact CD1-CD2 3.96Å; V318-L322 HydrophobicContact CG1-CD1 4.23Å; V318-L322 HydrophobicContact CG1-CD2 4.33Å; V318-L322 HydrophobicContact CG1-CG 4.15Å; V318-L322 WeakPolarHBondContact O-CG 3.41Å; V318-L322 PolarHBondContact O-N 2.93Å; E319-L322 PolarHBondContact O-N 2.77Å; E319-L322 VanDerWaalsContact O-N 3.13Å; L322-S324 PolarHBondContact O-N 2.91Å; L322-N334 HydrophobicContact CD1-CB 4.45Å; L322-L336 HydrophobicContact CD2-CD2 4.26Å; L322-W367 HydrophobicContact CD1-CZ2 3.93Å
323G63.1Low73.9Confident51 Ų5164.9 Ų64.953%0.52641%0.41SS..  trans-56.5128175.400000110N325G323-N325 PolarHBondContact O-N 2.91Å
324S55.3Low74.3Confident112 Ų11259.8 Ų59.878%0.78339%0.387SS*.  trans-70.1112.2172.8-52.70000108.6L322 A326L322-S324 PolarHBondContact O-N 2.91Å; S324-A326 PolarHBondContact O-N 3.43Å
325N55.3Low74.9Confident67 Ų6759.7 Ų59.736%0.35839%0.387SS..  trans-7263.6169.6-72.93.1000109.8E239 G323 A327 S328E239-N325 PolarHBondContact OE2-ND2 2.8Å; G323-N325 PolarHBondContact O-N 2.91Å; N325-A327 PolarHBondContact O-N 2.86Å; N325-S328 PolarHBondContact O-N 3.43Å
326A49.8Very low75.4Confident100 Ų10059 Ų5983%0.82638%0.383SS*.THydrogen-bonded Turntrans-67.40.9-177.500000114S324S324-A326 PolarHBondContact O-N 3.43Å
327A52.1Low75.9Confident108 Ų10853.8 Ų53.889%0.89336%0.355SS*.THydrogen-bonded Turntrans-92.6-12.3-177.500000113.7N325N325-A327 PolarHBondContact O-N 2.86Å
328S64.5Low76.4Confident40 Ų4052.3 Ų52.328%0.2834%0.344SS..  trans-129.1138.6-169.7-172.60000111.9E239 N325 N330E239-S328 WeakPolarHBondContact OE1-CB 3.35Å; E239-S328 PolarHBondContact OE1-OG 3.28Å; N325-S328 PolarHBondContact O-N 3.43Å; S328-N330 PolarHBondContact OG-N 3.26Å; S328-N330 PolarHBondContact OG-ND2 2.9Å
329S69.4Low76.9Confident122 Ų12252.1 Ų52.185%0.85334%0.343SS*.  trans-84.50.7173.656.40000112.8
330N81.7Confident77.2Confident50 Ų5047.4 Ų47.427%0.26732%0.321SS..SBendtrans-80.4143.2-176.7-65-34.4000111.4E239 S328E239-N330 HydrophobicContact CG-CB 3.97Å; S328-N330 PolarHBondContact OG-N 3.26Å; S328-N330 PolarHBondContact OG-ND2 2.9Å
331P85.8Confident77.5Confident35 Ų3544 Ų4423%0.22729%0.29CS..PPolyproline II helixtrans-61.6136.417124.7-34.7000112F232 S235 G237 Y238 E239F232-P331 HydrophobicContact CD1-CB 3.86Å; F232-P331 HydrophobicContact CE1-CB 3.93Å; S235-P331 VanDerWaalsContact OG-CD 3.24Å; S235-P331 WeakPolarHBondContact OG-CD 3.42Å; G237-P331 WeakPolarHBondContact O-CD 3.37Å; Y238-P331 HydrophobicContact CD1-CB 4.28Å; Y238-P331 HydrophobicContact CD1-CG 3.49Å; Y238-P331 VanDerWaalsContact CD1-CG 3.49Å; Y238-P331 HydrophobicContact CE1-CG 3.62Å; Y238-P331 HydrophobicContact CG-CG 4.45Å; E239-P331 PolarHBondContact N-O 2.91Å
332V87.1Confident77.6Confident43 Ų4339.3 Ų39.326%0.26128%0.28SS..EExtended strand (participates in β ladder)trans-101.3130.3179.8-172.70000110.5E239E239-V332 HydrophobicContact CB-CG1 4.42Å; E239-V332 HydrophobicContact CB-CG2 4.21Å; E239-V332 CarbonylContact O-C 3.52Å; E239-V332 WeakPolarHBondContact O-CA 3.48Å
333L90.1Very high77.7Confident0 Ų047.3 Ų47.30%031%0.31CS..EExtended strand (participates in β ladder)trans-102.3115171.9-67.791.6000109.6F232 Y238 E239 I240 T241 F335 L404 L407 L408F232-L333 HydrophobicContact CD2-CD2 4.19Å; F232-L333 HydrophobicContact CD2-CG 4.21Å; F232-L333 HydrophobicContact CE2-CD2 4.01Å; F232-L333 HydrophobicContact CE2-CG 3.72Å; F232-L333 HydrophobicContact CZ-CG 3.99Å; Y238-L333 HydrophobicContact CD1-CD1 3.69Å; Y238-L333 HydrophobicContact CG-CD1 4.07Å; E239-L333 PolarHBondContact O-N 2.96Å; I240-L333 HydrophobicContact CG1-CB 4.42Å; I240-L333 HydrophobicContact CG1-CD1 4.42Å; T241-L333 PolarHBondContact N-O 2.96Å; L333-F335 HydrophobicContact CB-CE2 3.99Å; L333-L404 HydrophobicContact CD2-CD1 3.81Å; L333-L407 HydrophobicContact CD2-CB 3.89Å; L333-L407 HydrophobicContact CD2-CD1 4.19Å; L333-L408 HydrophobicContact CD2-CD2 4.42Å
334N90.8Very high78.5Confident18 Ų1848 Ų4810%0.09630%0.299CS..EExtended strand (participates in β ladder)trans-97.6116.9-176.6-62.7-61000111.4L322 L336 W367 G368 G369L322-N334 HydrophobicContact CD1-CB 4.45Å; N334-L336 HydrophobicContact CB-CD1 3.82Å; N334-W367 HydrophobicContact CB-CD2 4.28Å; N334-W367 HydrophobicContact CB-CE3 4.24Å; N334-W367 HydrophobicContact CB-CH2 4.06Å; N334-W367 HydrophobicContact CB-CZ2 4.04Å; N334-W367 HydrophobicContact CB-CZ3 4.13Å; N334-W367 PolarHBondContact N-O 3.11Å; N334-G368 CarbonylContact O-C 3.57Å; N334-G368 WeakPolarHBondContact O-CA 3.31Å; N334-G369 PolarHBondContact O-N 2.8Å
335F92.9Very high79.7Confident0 Ų043.5 Ų43.50%027%0.268CS..EExtended strand (participates in β ladder)trans-110.1118172.5-68.7-79000110.2I240 T241 F242 S243 L333 G369 F400 Q403 L404 L407I240-F335 HydrophobicContact CG2-CD2 3.74Å; I240-F335 HydrophobicContact CG2-CE2 3.83Å; T241-F335 PolarHBondContact O-N 3.44Å; F242-F335 CarbonylContact C-O 3.56Å; F242-F335 WeakPolarHBondContact CA-O 3.29Å; F242-F335 HydrophobicContact CD1-CB 3.5Å; F242-F335 VanDerWaalsContact CD1-CB 3.5Å; F242-F335 HydrophobicContact CD1-CD2 4.34Å; F242-F335 HydrophobicContact CD1-CG 4.17Å; F242-F335 HydrophobicContact CE1-CB 3.68Å; F242-F335 AromaticContact CE1-CD2 3.84Å; F242-F335 HydrophobicContact CE1-CD2 3.84Å; F242-F335 AromaticContact CE1-CG 3.84Å; F242-F335 HydrophobicContact CE1-CG 3.84Å; F242-F335 HydrophobicContact CG-CB 4.46Å; F242-F335 HydrophobicContact CZ-CD2 4.26Å; S243-F335 PolarHBondContact N-O 2.71Å; L333-F335 HydrophobicContact CB-CE2 3.99Å; F335-G369 CarbonylContact C-O 3.53Å; F335-G369 WeakPolarHBondContact CA-O 3.14Å; F335-F400 HydrophobicContact CB-CD1 4.39Å; F335-F400 HydrophobicContact CB-CD2 4.11Å; F335-F400 HydrophobicContact CB-CE1 4.35Å; F335-F400 HydrophobicContact CB-CE2 4.08Å; F335-F400 HydrophobicContact CB-CG 4.28Å; F335-F400 HydrophobicContact CB-CZ 4.21Å; F335-F400 HydrophobicContact CD1-CB 4.11Å; F335-F400 AromaticContact CD1-CD1 3.87Å; F335-F400 HydrophobicContact CD1-CD1 3.87Å; F335-F400 HydrophobicContact CD1-CE1 4.45Å; F335-F400 AromaticContact CD1-CG 3.97Å; F335-F400 HydrophobicContact CD1-CG 3.97Å; F335-F400 HydrophobicContact CG-CG 4.35Å; F335-Q403 HydrophobicContact CE1-CB 3.88Å; F335-L404 HydrophobicContact CE1-CB 4.36Å; F335-L404 HydrophobicContact CE2-CB 4.39Å; F335-L404 HydrophobicContact CE2-CD1 3.87Å; F335-L404 HydrophobicContact CZ-CB 3.7Å; F335-L404 HydrophobicContact CZ-CD1 3.82Å; F335-L404 HydrophobicContact CZ-CG 4.33Å; F335-L407 HydrophobicContact CE1-CD1 4.35Å; F335-L407 HydrophobicContact CZ-CD1 4.08Å
336L91.9Very high81.2Confident1 Ų141.3 Ų41.31%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-119.1130.8-174.3-59.690.5000111.7S243 L245 V318 L322 N334 W367 G369 I370 M371S243-L336 CarbonylContact O-C 3.55Å; S243-L336 VanDerWaalsContact O-CA 3.29Å; S243-L336 WeakPolarHBondContact O-CA 3.36Å; L245-L336 HydrophobicContact CD1-CB 4.24Å; L245-L336 HydrophobicContact CD1-CD2 3.64Å; L245-L336 HydrophobicContact CG-CD2 4.19Å; V318-L336 HydrophobicContact CG1-CD2 3.32Å; L322-L336 HydrophobicContact CD2-CD2 4.26Å; N334-L336 HydrophobicContact CB-CD1 3.82Å; L336-W367 HydrophobicContact CD1-CH2 3.21Å; L336-W367 HydrophobicContact CD1-CZ2 4.24Å; L336-W367 HydrophobicContact CD1-CZ3 3.44Å; L336-W367 VanDerWaalsContact CD1-CZ3 3.44Å; L336-W367 HydrophobicContact CD2-CH2 4.3Å; L336-W367 HydrophobicContact CG-CH2 4.4Å; L336-G369 PolarHBondContact N-O 3.09Å; L336-I370 HydrophobicContact CB-CG1 4.18Å; L336-I370 HydrophobicContact CD1-CG1 4.04Å; L336-I370 WeakPolarHBondContact O-CA 3.44Å; L336-M371 PolarHBondContact O-N 3.42Å
337L92.9Very high82.9Confident0 Ų036.7 Ų36.70%022%0.219CC..EExtended strand (participates in β ladder)trans-103.8113.7169.4-171.462.9000108.2S243 L244 L245 W256 M371 I391 V396 F400S243-L337 PolarHBondContact O-N 3.19Å; L244-L337 HydrophobicContact CD1-CB 4.06Å; L244-L337 HydrophobicContact CD1-CD2 3.95Å; L244-L337 HydrophobicContact CD1-CG 4.08Å; L245-L337 PolarHBondContact N-O 3.42Å; W256-L337 HydrophobicContact CE3-CD2 4.36Å; L337-M371 HydrophobicContact CD1-CB 4.1Å; L337-M371 HydrophobicContact CD1-CG 4.02Å; L337-M371 HydrophobicContact CD1-SD 4.15Å; L337-I391 HydrophobicContact CD2-CD1 3.69Å; L337-I391 HydrophobicContact CD2-CG2 3.83Å; L337-V396 HydrophobicContact CD1-CG1 4.02Å; L337-V396 HydrophobicContact CD1-CG2 3.93Å; L337-V396 HydrophobicContact CD2-CG1 4.18Å; L337-V396 HydrophobicContact CD2-CG2 3.97Å; L337-F400 HydrophobicContact CB-CZ 4.23Å
338Y90.9Very high84.6Confident14 Ų1434 Ų346%0.05519%0.186CC..EExtended strand (participates in β ladder)trans-101.8123.9175.4179.1-101.7000110.3L245 P247 L291 P340 L347 M371 V372 Y373L245-Y338 HydrophobicContact CB-CD2 3.79Å; L245-Y338 HydrophobicContact CD1-CD2 4.21Å; P247-Y338 HydrophobicContact CB-CE2 4.44Å; P247-Y338 HydrophobicContact CG-CE2 4Å; L291-Y338 HydrophobicContact CD1-CD1 3.36Å; L291-Y338 HydrophobicContact CD1-CD2 3.94Å; L291-Y338 HydrophobicContact CD1-CE1 3.29Å; L291-Y338 HydrophobicContact CD1-CE2 3.93Å; L291-Y338 HydrophobicContact CD1-CG 3.66Å; L291-Y338 HydrophobicContact CD2-CD2 4Å; L291-Y338 HydrophobicContact CD2-CG 4Å; L291-Y338 HydrophobicContact CG-CD1 4.05Å; L291-Y338 HydrophobicContact CG-CD2 3.65Å; L291-Y338 HydrophobicContact CG-CE1 4.02Å; L291-Y338 HydrophobicContact CG-CE2 3.67Å; L291-Y338 HydrophobicContact CG-CG 3.83Å; Y338-P340 HydrophobicContact CE1-CB 3.85Å; Y338-L347 HydrophobicContact CD1-CD2 4.12Å; Y338-L347 HydrophobicContact CE1-CD2 3.68Å; Y338-M371 PolarHBondContact N-O 2.88Å; Y338-V372 HydrophobicContact CD1-CG1 4.28Å; Y338-V372 HydrophobicContact CD1-CG2 4.23Å; Y338-V372 WeakPolarHBondContact O-CA 3.4Å; Y338-Y373 PolarHBondContact O-N 3.35Å
339V90.4Very high85.6Confident0 Ų032.1 Ų32.10%017%0.173CC..  trans-105.2117.4170-177.10000107.7L244 L245 P247 L254 V375 I391L244-V339 HydrophobicContact CD1-CG2 4.26Å; L245-V339 PolarHBondContact O-N 3.49Å; P247-V339 WeakPolarHBondContact CD-O 3.33Å; P247-V339 VanDerWaalsContact CG-O 3.31Å; P247-V339 WeakPolarHBondContact CG-O 3.32Å; L254-V339 HydrophobicContact CD1-CB 3.82Å; L254-V339 HydrophobicContact CD1-CG1 4.28Å; L254-V339 HydrophobicContact CD1-CG2 3.66Å; L254-V339 HydrophobicContact CD2-CB 4.46Å; L254-V339 HydrophobicContact CD2-CG1 4.1Å; L254-V339 HydrophobicContact CD2-CG2 4.21Å; V339-V375 HydrophobicContact CG1-CG1 3.89Å; V339-V375 HydrophobicContact CG1-CG2 3.82Å; V339-I391 HydrophobicContact CG2-CD1 4.35Å
340P88Confident86.4Confident0 Ų027.2 Ų27.20%014%0.137CC..  trans-66.2155.8179.827.8-31.9000111.3H252 Y338 L347 Y373H252-P340 PolarHBondContact CE1-O 3.14Å; Y338-P340 HydrophobicContact CE1-CB 3.85Å; P340-L347 HydrophobicContact CB-CB 4.16Å; P340-L347 HydrophobicContact CB-CD2 4.46Å; P340-L347 HydrophobicContact CG-CB 4.19Å; P340-Y373 VanDerWaalsContact CD-O 3.24Å; P340-Y373 WeakPolarHBondContact CD-O 3.36Å
341D84.3Confident86.3Confident18 Ų1828.5 Ų28.510%0.09614%0.143CC..  trans-66.4165.4170.564.9-15.6000111.2P247 D248 Y343 H344 S345P247-D341 HydrophobicContact CG-CB 4.17Å; D248-D341 HydrophobicContact CB-CB 4.03Å; D341-Y343 PolarHBondContact O-N 2.81Å; D341-H344 PolarHBondContact O-N 2.7Å; D341-H344 WeakPolarHBondContact OD1-CA 3.35Å; D341-H344 WeakPolarHBondContact OD1-CB 3.41Å; D341-H344 IonicContact OD1-CG 2.85Å; D341-H344 VanDerWaalsContact OD1-CG 3.24Å; D341-H344 PolarHBondContact OD1-N 3.04Å; D341-H344 IonicContact OD1-ND1 3.49Å; D341-H344 PolarHBondContact OD1-ND1 2.96Å; D341-H344 IonicContact OD2-CE1 2.71Å; D341-H344 PolarHBondContact OD2-CE1 2.9Å; D341-H344 IonicContact OD2-CG 3.27Å; D341-H344 IonicContact OD2-ND1 2.69Å; D341-H344 PolarHBondContact OD2-ND1 3.33Å; D341-S345 VanDerWaalsContact O-CB 3.28Å; D341-S345 WeakPolarHBondContact O-CB 3.28Å; D341-S345 PolarHBondContact O-N 2.76Å; D341-S345 VanDerWaalsContact O-N 3.14Å
342A77.7Confident86Confident33 Ų3334.6 Ų34.627%0.27317%0.169SC..SBendtrans-59.5-31.2179.800000112.7Y379A342-Y379 HydrophobicContact CB-CE1 4.32Å; A342-Y379 HydrophobicContact CB-CE2 4.21Å
343Y78.1Confident85.5Confident181 Ų18138.3 Ų38.371%0.7119%0.187SC*.SBendtrans-76.8-34.5-179.2-64-74.1000113.6Y304 D341Y304-Y343 WeakPolarHBondContact CE2-O 3.49Å; Y304-Y343 PolarHBondContact OH-O 3.38Å; D341-Y343 PolarHBondContact O-N 2.81Å
344H80.1Confident84.9Confident65 Ų6545.6 Ų45.630%0.30122%0.219SC..SBendtrans-101.515.7179.2-51.495.5000113.5P295 Y304 D341P295-H344 HydrophobicContact CG-CB 4.19Å; Y304-H344 HydrophobicContact CD1-CB 4.44Å; Y304-H344 AromaticContact CD1-CD2 3.95Å; Y304-H344 VanDerWaalsContact CD2-C 3.46Å; Y304-H344 VanDerWaalsContact CD2-CA 3.48Å; Y304-H344 HydrophobicContact CD2-CB 4.23Å; Y304-H344 WeakPolarHBondContact CD2-O 3.19Å; Y304-H344 AromaticContact CE1-CD2 3.58Å; Y304-H344 HydrophobicContact CE2-CB 4.45Å; Y304-H344 HydrophobicContact CG-CB 4.21Å; Y304-H344 AromaticContact CZ-CD2 3.91Å; D341-H344 PolarHBondContact O-N 2.7Å; D341-H344 WeakPolarHBondContact OD1-CA 3.35Å; D341-H344 WeakPolarHBondContact OD1-CB 3.41Å; D341-H344 IonicContact OD1-CG 2.85Å; D341-H344 VanDerWaalsContact OD1-CG 3.24Å; D341-H344 PolarHBondContact OD1-N 3.04Å; D341-H344 IonicContact OD1-ND1 3.49Å; D341-H344 PolarHBondContact OD1-ND1 2.96Å; D341-H344 IonicContact OD2-CE1 2.71Å; D341-H344 PolarHBondContact OD2-CE1 2.9Å; D341-H344 IonicContact OD2-CG 3.27Å; D341-H344 IonicContact OD2-ND1 2.69Å; D341-H344 PolarHBondContact OD2-ND1 3.33Å
345S80.4Confident84.4Confident18 Ų1851.3 Ų51.313%0.12625%0.245CC..  trans-95.8137.9175.5-174.40000111.3D341D341-S345 VanDerWaalsContact O-CB 3.28Å; D341-S345 WeakPolarHBondContact O-CB 3.28Å; D341-S345 PolarHBondContact O-N 2.76Å; D341-S345 VanDerWaalsContact O-N 3.14Å
346P85.6Confident83.8Confident21 Ų2156.7 Ų56.714%0.13627%0.268CS..SBendcis-82.1143.8-3.431.8-33.2000112.7A303 Y304 Y348 N374 D376A303-P346 HydrophobicContact CB-CG 3.97Å; Y304-P346 PolarHBondContact N-O 3.33Å; P346-Y348 HydrophobicContact CB-CE2 3.83Å; P346-Y348 HydrophobicContact CG-CE2 3.97Å; P346-N374 HydrophobicContact CB-CB 4.19Å; P346-D376 HydrophobicContact CB-CB 4.35Å
347L86.3Confident83.4Confident3 Ų358 Ų582%0.01628%0.276CS..EExtended strand (participates in β ladder)trans-107.9124.2178.4-178.364.4000110.7L291 P295 Y304 L306 Y338 P340 N360 V372 N374L291-L347 HydrophobicContact CD1-CD2 4.13Å; P295-L347 HydrophobicContact CB-CD1 3.63Å; P295-L347 HydrophobicContact CG-CD1 4.31Å; Y304-L347 CarbonylContact O-C 3.34Å; Y304-L347 WeakPolarHBondContact O-CA 3.1Å; L306-L347 HydrophobicContact CD1-CD1 3.88Å; L306-L347 HydrophobicContact CD1-CD2 3.77Å; L306-L347 HydrophobicContact CD1-CG 4.02Å; L306-L347 HydrophobicContact CG-CD1 3.97Å; Y338-L347 HydrophobicContact CD1-CD2 4.12Å; Y338-L347 HydrophobicContact CE1-CD2 3.68Å; P340-L347 HydrophobicContact CB-CB 4.16Å; P340-L347 HydrophobicContact CB-CD2 4.46Å; P340-L347 HydrophobicContact CG-CB 4.19Å; L347-N360 PolarHBondContact O-ND2 3.35Å; L347-V372 HydrophobicContact CB-CG1 3.89Å; L347-V372 HydrophobicContact CD2-CG1 3.96Å; L347-V372 HydrophobicContact CD2-CG2 4.38Å; L347-V372 HydrophobicContact CG-CG1 4.05Å; L347-N374 PolarHBondContact N-OD1 3.36Å; L347-N374 PolarHBondContact O-ND2 2.97Å; L347-N374 PolarHBondContact O-OD1 3.03Å; L347-N374 VanDerWaalsContact O-OD1 3.14Å
348Y87.7Confident82.9Confident51 Ų5164.2 Ų64.220%0.232%0.317CS..EExtended strand (participates in β ladder)trans-122.1139.1-179.8-66.4-60.9000113.1A303 Y304 M305 L306 P346 K356 N360 N374A303-Y348 HydrophobicContact CB-CD2 3.78Å; A303-Y348 HydrophobicContact CB-CE2 4.01Å; Y304-Y348 PolarHBondContact O-N 3.46Å; M305-Y348 VanDerWaalsContact CA-O 3.31Å; M305-Y348 WeakPolarHBondContact CA-O 3.43Å; L306-Y348 PolarHBondContact N-O 2.88Å; P346-Y348 HydrophobicContact CB-CE2 3.83Å; P346-Y348 HydrophobicContact CG-CE2 3.97Å; Y348-K356 HydrophobicContact CD1-CD 4.07Å; Y348-K356 HydrophobicContact CD1-CG 4.46Å; Y348-K356 HydrophobicContact CE1-CD 4.38Å; Y348-K356 HydrophobicContact CG-CD 4.21Å; Y348-K356 PolarHBondContact OH-NZ 2.6Å; Y348-N360 WeakPolarHBondContact CA-OD1 3.19Å; Y348-N374 WeakPolarHBondContact CE1-ND2 3.12Å
349I86.2Confident82.4Confident2 Ų266 Ų661%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-88.6136174.3-62.7157.1000110L306 L311 V357 N360 F362 V372L306-I349 HydrophobicContact CB-CG1 4.49Å; L311-I349 HydrophobicContact CD1-CG2 3.79Å; L311-I349 HydrophobicContact CD2-CG1 4.43Å; L311-I349 HydrophobicContact CD2-CG2 4.27Å; I349-V357 HydrophobicContact CG2-CG2 4.12Å; I349-V357 PolarHBondContact O-N 3.11Å; I349-N360 PolarHBondContact N-OD1 3.03Å; I349-F362 HydrophobicContact CD1-CD1 3.76Å; I349-F362 HydrophobicContact CD1-CE1 4.4Å; I349-V372 HydrophobicContact CD1-CG2 3.93Å; I349-V372 HydrophobicContact CG1-CG2 4.43Å
350Q84.9Confident82.3Confident19 Ų1966.6 Ų66.69%0.08933%0.334CS..EExtended strand (participates in β ladder)trans-103.7137.5173.8-66.8-173.6-59.200111.6M305 L306 N307 A308 K354 Q355M305-Q350 HydrophobicContact CB-CG 4.44Å; M305-Q350 HydrophobicContact CE-CG 3.48Å; M305-Q350 VanDerWaalsContact CE-CG 3.48Å; M305-Q350 HydrophobicContact SD-CG 4.31Å; M305-Q350 PolarHBondContact SD-NE2 3Å; M305-Q350 VanDerWaalsContact SD-NE2 3.42Å; L306-Q350 PolarHBondContact O-N 2.82Å; N307-Q350 PolarHBondContact OD1-OE1 2.69Å; A308-Q350 PolarHBondContact N-O 2.94Å; Q350-K354 PolarHBondContact NE2-O 2.67Å; Q350-Q355 WeakPolarHBondContact CA-O 3.2Å
351D80.3Confident82.3Confident77 Ų7767 Ų6741%0.41234%0.338SS..PPolyproline II helixtrans-72.7171.8168-171.723.2000111.3N353 K354 Q355 V357D351-N353 PolarHBondContact O-N 3.42Å; D351-N353 VanDerWaalsContact O-N 3.09Å; D351-K354 WeakPolarHBondContact O-CA 3.46Å; D351-K354 PolarHBondContact O-N 3.43Å; D351-Q355 PolarHBondContact N-O 3.05Å; D351-V357 HydrophobicContact CB-CG2 4.19Å
352Q78.6Confident82.5Confident162 Ų16267.5 Ų67.576%0.75734%0.339SS*.THydrogen-bonded Turntrans-54.1-29.3175.7-61.9-176.6400112.4A308 K354A308-Q352 HydrophobicContact CB-CG 4.31Å; Q352-K354 PolarHBondContact O-N 3.03Å
353N78.4Confident83Confident121 Ų12169.2 Ų69.265%0.64734%0.341SS*.THydrogen-bonded Turntrans-82.29.6175.3-63.1-43.8000114.1D351 Q355D351-N353 PolarHBondContact O-N 3.42Å; D351-N353 VanDerWaalsContact O-N 3.09Å; N353-Q355 HydrophobicContact CB-CG 4.36Å; N353-Q355 PolarHBondContact O-N 2.82Å; N353-Q355 VanDerWaalsContact O-N 3.1Å
354K76.5Confident83.3Confident154 Ų15462 Ų6267%0.6732%0.317SS*.SBendtrans58.616.7-175.7-57.8179.9-179.8176.10114.7Q350 D351 Q352Q350-K354 PolarHBondContact NE2-O 2.67Å; D351-K354 WeakPolarHBondContact O-CA 3.46Å; D351-K354 PolarHBondContact O-N 3.43Å; Q352-K354 PolarHBondContact O-N 3.03Å
355Q80.6Confident83.4Confident138 Ų13861.9 Ų61.965%0.64532%0.322SS*.PPolyproline II helixtrans-87.6149.8175.2-62.6-170.512.900110.5Q350 D351 N353 V357Q350-Q355 WeakPolarHBondContact CA-O 3.2Å; D351-Q355 PolarHBondContact N-O 3.05Å; N353-Q355 HydrophobicContact CB-CG 4.36Å; N353-Q355 PolarHBondContact O-N 2.82Å; N353-Q355 VanDerWaalsContact O-N 3.1Å; Q355-V357 PolarHBondContact O-N 2.81Å
356K81.2Confident83.3Confident113 Ų11367.4 Ų67.449%0.49134%0.34SS..BIsolated β-bridgetrans-67.7127.6177175.9176.4170.9173.70109.8Y348Y348-K356 HydrophobicContact CD1-CD 4.07Å; Y348-K356 HydrophobicContact CD1-CG 4.46Å; Y348-K356 HydrophobicContact CE1-CD 4.38Å; Y348-K356 HydrophobicContact CG-CD 4.21Å; Y348-K356 PolarHBondContact OH-NZ 2.6Å
357V83.5Confident83.3Confident28 Ų2867.5 Ų67.517%0.1734%0.338CS..PPolyproline II helixtrans-71.8127.1174.4-178.70000109.3I349 D351 Q355 S359 N360I349-V357 HydrophobicContact CG2-CG2 4.12Å; I349-V357 PolarHBondContact O-N 3.11Å; D351-V357 HydrophobicContact CB-CG2 4.19Å; Q355-V357 PolarHBondContact O-N 2.81Å; V357-S359 PolarHBondContact O-N 3.42Å; V357-N360 PolarHBondContact O-N 3.19Å
358P81.3Confident83.4Confident131 Ų13167.4 Ų67.485%0.85134%0.337SS*.THydrogen-bonded Turntrans-65.8-34-173.523.7-33.5000113.6
359S80.4Confident83.5Confident50 Ų5065 Ų6535%0.3533%0.328SS..THydrogen-bonded Turntrans-82.5-10.7178.153.30000114V357 A361V357-S359 PolarHBondContact O-N 3.42Å; S359-A361 PolarHBondContact O-N 3.13Å
360N88.1Confident83.7Confident13 Ų1365 Ų657%0.0733%0.328CS..  trans46.639.7-170.7-154.232.3000113.4L347 Y348 I349 V357 V372L347-N360 PolarHBondContact O-ND2 3.35Å; Y348-N360 WeakPolarHBondContact CA-OD1 3.19Å; I349-N360 PolarHBondContact N-OD1 3.03Å; V357-N360 PolarHBondContact O-N 3.19Å; N360-V372 WeakPolarHBondContact ND2-CB 3.33Å; N360-V372 PolarHBondContact ND2-O 2.95Å; N360-V372 PolarHBondContact O-N 3.43Å
361A88.3Confident84Confident9 Ų964.2 Ų64.27%0.07432%0.324CS..EExtended strand (participates in β ladder)trans-140.9150.2-178.400000110.3S359 I370 M371 V399S359-A361 PolarHBondContact O-N 3.13Å; A361-I370 CarbonylContact C-O 3.53Å; A361-I370 VanDerWaalsContact CA-O 3.23Å; A361-I370 WeakPolarHBondContact CA-O 3.43Å; A361-I370 WeakPolarHBondContact CB-O 3.26Å; A361-M371 HydrophobicContact CB-CB 3.94Å; A361-M371 HydrophobicContact CB-CG 4.11Å; A361-V399 HydrophobicContact CB-CG1 3.54Å
362F88.9Confident84.6Confident28 Ų2860.8 Ų60.812%0.12331%0.306CS..EExtended strand (participates in β ladder)trans-131.8161.8172.272.2-82.8000109.8L311 V314 I349 I370 Q403L311-F362 HydrophobicContact CB-CD2 3.97Å; L311-F362 HydrophobicContact CB-CE1 4.33Å; L311-F362 HydrophobicContact CB-CE2 3.71Å; L311-F362 HydrophobicContact CB-CG 4.38Å; L311-F362 HydrophobicContact CB-CZ 3.88Å; L311-F362 HydrophobicContact CD1-CB 3.87Å; L311-F362 HydrophobicContact CD1-CD1 3.96Å; L311-F362 HydrophobicContact CD1-CD2 4.04Å; L311-F362 HydrophobicContact CD1-CE1 4.45Å; L311-F362 HydrophobicContact CD1-CG 3.71Å; L311-F362 HydrophobicContact CD2-CD1 3.91Å; L311-F362 HydrophobicContact CD2-CE1 3.69Å; L311-F362 HydrophobicContact CD2-CG 4.43Å; L311-F362 HydrophobicContact CD2-CZ 4.04Å; L311-F362 HydrophobicContact CG-CD1 4.36Å; L311-F362 HydrophobicContact CG-CD2 4.47Å; L311-F362 HydrophobicContact CG-CE1 4.36Å; L311-F362 HydrophobicContact CG-CE2 4.48Å; L311-F362 HydrophobicContact CG-CG 4.39Å; L311-F362 HydrophobicContact CG-CZ 4.4Å; V314-F362 HydrophobicContact CB-CZ 4.48Å; I349-F362 HydrophobicContact CD1-CD1 3.76Å; I349-F362 HydrophobicContact CD1-CE1 4.4Å; F362-I370 HydrophobicContact CD1-CB 4.03Å; F362-I370 HydrophobicContact CD1-CG2 4.4Å; F362-I370 HydrophobicContact CE1-CB 3.54Å; F362-I370 HydrophobicContact CE1-CD1 4.01Å; F362-I370 HydrophobicContact CE1-CG1 4.32Å; F362-I370 HydrophobicContact CE1-CG2 3.69Å; F362-I370 HydrophobicContact CE2-CB 4.36Å; F362-I370 HydrophobicContact CE2-CD1 3.8Å; F362-I370 HydrophobicContact CE2-CG1 4.45Å; F362-I370 HydrophobicContact CZ-CB 3.76Å; F362-I370 HydrophobicContact CZ-CD1 3.31Å; F362-I370 HydrophobicContact CZ-CG1 4.02Å; F362-I370 HydrophobicContact CZ-CG2 4.16Å; F362-I370 PolarHBondContact N-O 2.92Å; F362-I370 PolarHBondContact O-N 3.32Å; F362-I370 VanDerWaalsContact O-O 3.1Å; F362-Q403 PolarHBondContact O-NE2 3.45Å
363H87.3Confident85.1Confident70 Ų7054 Ų5432%0.32427%0.274SS..EExtended strand (participates in β ladder)trans-127.9151.3174.268-81000109.4G368 Q403H363-G368 CarbonylContact C-O 3.38Å; H363-G368 VanDerWaalsContact CA-O 3.3Å; H363-G368 WeakPolarHBondContact CA-O 3.36Å; H363-G368 WeakPolarHBondContact CB-O 3.35Å; H363-Q403 HydrophobicContact CB-CG 4.33Å
364S85.6Confident85.6Confident29 Ų2949.5 Ų49.520%0.20325%0.25CC..EExtended strand (participates in β ladder)trans-113.1124172.5-176.30000108.7I315 R366 W367 G368I315-S364 WeakPolarHBondContact CD1-OG 3.09Å; S364-R366 PolarHBondContact O-N 2.69Å; S364-W367 PolarHBondContact O-N 2.97Å; S364-G368 PolarHBondContact N-O 2.85Å; S364-G368 PolarHBondContact O-N 2.86Å; S364-G368 VanDerWaalsContact O-N 3.1Å
365P81.1Confident85.9Confident63 Ų6342.2 Ų42.241%0.40922%0.218SC..THydrogen-bonded Turntrans-47.3135.1173.5-31.738.7000112R230 W367R230-P365 HydrophobicContact CG-CG 4.19Å; P365-W367 PolarHBondContact O-N 3.31Å
366R78.4Confident85.6Confident133 Ų13338.9 Ų38.950%0.50221%0.205SC..THydrogen-bonded Turntrans58.616.9176.7-52.1178.7176.6175.6-2.6115.6F232 S364F232-R366 HydrophobicContact CE1-CB 4.38Å; F232-R366 VanDerWaalsContact CE1-O 3.31Å; F232-R366 WeakPolarHBondContact CE1-O 3.45Å; F232-R366 VanDerWaalsContact CE2-CA 3.49Å; F232-R366 VanDerWaalsContact CZ-CA 3.46Å; F232-R366 HydrophobicContact CZ-CB 4.47Å; F232-R366 WeakPolarHBondContact CZ-O 3.33Å; S364-R366 PolarHBondContact O-N 2.69Å
367W85Confident85.1Confident24 Ų2438.1 Ų38.19%0.09121%0.214CC..THydrogen-bonded Turntrans-129.8-51.2175-172.987.3000112.1I315 L322 N334 L336 S364 P365 I370I315-W367 HydrophobicContact CG2-CD2 4.04Å; I315-W367 HydrophobicContact CG2-CG 4.25Å; I315-W367 HydrophobicContact CG2-CZ2 3.92Å; L322-W367 HydrophobicContact CD1-CZ2 3.93Å; N334-W367 HydrophobicContact CB-CD2 4.28Å; N334-W367 HydrophobicContact CB-CE3 4.24Å; N334-W367 HydrophobicContact CB-CH2 4.06Å; N334-W367 HydrophobicContact CB-CZ2 4.04Å; N334-W367 HydrophobicContact CB-CZ3 4.13Å; N334-W367 PolarHBondContact N-O 3.11Å; L336-W367 HydrophobicContact CD1-CH2 3.21Å; L336-W367 HydrophobicContact CD1-CZ2 4.24Å; L336-W367 HydrophobicContact CD1-CZ3 3.44Å; L336-W367 VanDerWaalsContact CD1-CZ3 3.44Å; L336-W367 HydrophobicContact CD2-CH2 4.3Å; L336-W367 HydrophobicContact CG-CH2 4.4Å; S364-W367 PolarHBondContact O-N 2.97Å; P365-W367 PolarHBondContact O-N 3.31Å; W367-I370 HydrophobicContact CH2-CD1 4.05Å; W367-I370 HydrophobicContact CH2-CG1 4.33Å; W367-I370 HydrophobicContact CZ3-CD1 3.73Å; W367-I370 HydrophobicContact CZ3-CG1 3.81Å
368G88.3Confident84.5Confident0 Ų041.7 Ų41.70%023%0.225CC..EExtended strand (participates in β ladder)trans152-160.5-173.600000116.3N334 H363 S364N334-G368 CarbonylContact O-C 3.57Å; N334-G368 WeakPolarHBondContact O-CA 3.31Å; H363-G368 CarbonylContact C-O 3.38Å; H363-G368 VanDerWaalsContact CA-O 3.3Å; H363-G368 WeakPolarHBondContact CA-O 3.36Å; H363-G368 WeakPolarHBondContact CB-O 3.35Å; S364-G368 PolarHBondContact N-O 2.85Å; S364-G368 PolarHBondContact O-N 2.86Å; S364-G368 VanDerWaalsContact O-N 3.1Å
369G90.3Very high84Confident0 Ų037.9 Ų37.90%019%0.194CC..EExtended strand (participates in β ladder)trans-128.6139.9-176.500000112.8N334 F335 L336N334-G369 PolarHBondContact O-N 2.8Å; F335-G369 CarbonylContact C-O 3.53Å; F335-G369 WeakPolarHBondContact CA-O 3.14Å; L336-G369 PolarHBondContact N-O 3.09Å
370I90.8Very high83.2Confident3 Ų337.3 Ų37.32%0.01520%0.196CC..EExtended strand (participates in β ladder)trans-123.4127.5175.7-60.8166.8000108.6V314 L336 A361 F362 W367V314-I370 HydrophobicContact CG1-CD1 4.05Å; L336-I370 HydrophobicContact CB-CG1 4.18Å; L336-I370 HydrophobicContact CD1-CG1 4.04Å; L336-I370 WeakPolarHBondContact O-CA 3.44Å; A361-I370 CarbonylContact C-O 3.53Å; A361-I370 VanDerWaalsContact CA-O 3.23Å; A361-I370 WeakPolarHBondContact CA-O 3.43Å; A361-I370 WeakPolarHBondContact CB-O 3.26Å; F362-I370 HydrophobicContact CD1-CB 4.03Å; F362-I370 HydrophobicContact CD1-CG2 4.4Å; F362-I370 HydrophobicContact CE1-CB 3.54Å; F362-I370 HydrophobicContact CE1-CD1 4.01Å; F362-I370 HydrophobicContact CE1-CG1 4.32Å; F362-I370 HydrophobicContact CE1-CG2 3.69Å; F362-I370 HydrophobicContact CE2-CB 4.36Å; F362-I370 HydrophobicContact CE2-CD1 3.8Å; F362-I370 HydrophobicContact CE2-CG1 4.45Å; F362-I370 HydrophobicContact CZ-CB 3.76Å; F362-I370 HydrophobicContact CZ-CD1 3.31Å; F362-I370 HydrophobicContact CZ-CG1 4.02Å; F362-I370 HydrophobicContact CZ-CG2 4.16Å; F362-I370 PolarHBondContact N-O 2.92Å; F362-I370 PolarHBondContact O-N 3.32Å; F362-I370 VanDerWaalsContact O-O 3.1Å; W367-I370 HydrophobicContact CH2-CD1 4.05Å; W367-I370 HydrophobicContact CH2-CG1 4.33Å; W367-I370 HydrophobicContact CZ3-CD1 3.73Å; W367-I370 HydrophobicContact CZ3-CG1 3.81Å
371M92.3Very high81.9Confident2 Ų243.7 Ų43.71%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-119.1133.2176.4178.7176.8175.900110.3L336 L337 Y338 A361 Y373 K395 V396 V399 F400L336-M371 PolarHBondContact O-N 3.42Å; L337-M371 HydrophobicContact CD1-CB 4.1Å; L337-M371 HydrophobicContact CD1-CG 4.02Å; L337-M371 HydrophobicContact CD1-SD 4.15Å; Y338-M371 PolarHBondContact N-O 2.88Å; A361-M371 HydrophobicContact CB-CB 3.94Å; A361-M371 HydrophobicContact CB-CG 4.11Å; M371-Y373 HydrophobicContact CE-CD2 4.21Å; M371-K395 HydrophobicContact CE-CG 4.32Å; M371-V396 HydrophobicContact CE-CG2 4.23Å; M371-V396 HydrophobicContact SD-CB 4.26Å; M371-V396 HydrophobicContact SD-CG1 4.17Å; M371-V396 HydrophobicContact SD-CG2 4.14Å; M371-V399 HydrophobicContact CE-CG2 4.37Å; M371-V399 HydrophobicContact SD-CB 4.01Å; M371-V399 HydrophobicContact SD-CG1 4.29Å; M371-V399 HydrophobicContact SD-CG2 4.07Å; M371-F400 HydrophobicContact CB-CE1 3.78Å; M371-F400 HydrophobicContact CB-CZ 4.37Å
372V91.2Very high80.6Confident5 Ų552.1 Ų52.13%0.0328%0.276CS..EExtended strand (participates in β ladder)trans-99.3118.8174.3177.10000109.3Y338 L347 I349 N360Y338-V372 HydrophobicContact CD1-CG1 4.28Å; Y338-V372 HydrophobicContact CD1-CG2 4.23Å; Y338-V372 WeakPolarHBondContact O-CA 3.4Å; L347-V372 HydrophobicContact CB-CG1 3.89Å; L347-V372 HydrophobicContact CD2-CG1 3.96Å; L347-V372 HydrophobicContact CD2-CG2 4.38Å; L347-V372 HydrophobicContact CG-CG1 4.05Å; I349-V372 HydrophobicContact CD1-CG2 3.93Å; I349-V372 HydrophobicContact CG1-CG2 4.43Å; N360-V372 WeakPolarHBondContact ND2-CB 3.33Å; N360-V372 PolarHBondContact ND2-O 2.95Å; N360-V372 PolarHBondContact O-N 3.43Å
373Y89.7Confident79.3Confident20 Ų2052.2 Ų52.28%0.07828%0.282CS..  trans-108.1104.3-179.2-169.7-87.7000110.4Y338 P340 M371 V375 I391 N392 V396Y338-Y373 PolarHBondContact O-N 3.35Å; P340-Y373 VanDerWaalsContact CD-O 3.24Å; P340-Y373 WeakPolarHBondContact CD-O 3.36Å; M371-Y373 HydrophobicContact CE-CD2 4.21Å; Y373-V375 HydrophobicContact CD1-CG1 3.72Å; Y373-V375 HydrophobicContact CE1-CG1 3.81Å; Y373-I391 HydrophobicContact CD2-CG2 4.49Å; Y373-I391 HydrophobicContact CE1-CG2 4.49Å; Y373-I391 HydrophobicContact CE2-CG2 4.29Å; Y373-N392 PolarHBondContact OH-N 3.41Å; Y373-V396 HydrophobicContact CD2-CG2 4.16Å; Y373-V396 HydrophobicContact CE2-CG2 4.45Å
374N88.1Confident78.4Confident27 Ų2757.3 Ų57.314%0.14431%0.306CS..  trans-78.4138.3179-64.2-33.4000111P346 L347 Y348 D376P346-N374 HydrophobicContact CB-CB 4.19Å; L347-N374 PolarHBondContact N-OD1 3.36Å; L347-N374 PolarHBondContact O-ND2 2.97Å; L347-N374 PolarHBondContact O-OD1 3.03Å; L347-N374 VanDerWaalsContact O-OD1 3.14Å; Y348-N374 WeakPolarHBondContact CE1-ND2 3.12Å; N374-D376 WeakPolarHBondContact CB-OD1 3.44Å
375V82.8Confident78Confident0 Ų062 Ų620%032%0.323CS..  trans-122.519-178.4-65.10000112.2V339 Y373 S377 Y378 Y379 I389V339-V375 HydrophobicContact CG1-CG1 3.89Å; V339-V375 HydrophobicContact CG1-CG2 3.82Å; Y373-V375 HydrophobicContact CD1-CG1 3.72Å; Y373-V375 HydrophobicContact CE1-CG1 3.81Å; V375-S377 PolarHBondContact O-N 2.87Å; V375-S377 VanDerWaalsContact O-N 3.16Å; V375-Y378 HydrophobicContact CB-CD2 4.09Å; V375-Y378 WeakPolarHBondContact O-CB 3.4Å; V375-Y378 PolarHBondContact O-N 3.48Å; V375-Y379 HydrophobicContact CG2-CE2 3.81Å; V375-Y379 WeakPolarHBondContact CG2-OH 3.44Å; V375-I389 HydrophobicContact CB-CD1 3.75Å; V375-I389 HydrophobicContact CG1-CD1 3.9Å; V375-I389 HydrophobicContact CG1-CG2 3.96Å; V375-I389 HydrophobicContact CG2-CD1 3.9Å
376D75.1Confident77.8Confident69 Ų6961.1 Ų61.137%0.36932%0.317SS..G310 helixtrans-54.7-34-17854.6-53.6000113.3P346 N374 Y378 Y379P346-D376 HydrophobicContact CB-CB 4.35Å; N374-D376 WeakPolarHBondContact CB-OD1 3.44Å; D376-Y378 PolarHBondContact O-N 3.47Å; D376-Y379 PolarHBondContact O-N 3.45Å
377S71.1Confident77.9Confident97 Ų9755.9 Ų55.968%0.67830%0.3SS*.G310 helixtrans-64.5-17.5177.658.30000114.7V375V375-S377 PolarHBondContact O-N 2.87Å; V375-S377 VanDerWaalsContact O-N 3.16Å
378Y70.3Confident77.8Confident103 Ų10360.3 Ų60.340%0.40433%0.326SS..G310 helixtrans-92.8-13.8-178.6-63.1-88.1000112.8V375 D376 G380 I389V375-Y378 HydrophobicContact CB-CD2 4.09Å; V375-Y378 WeakPolarHBondContact O-CB 3.4Å; V375-Y378 PolarHBondContact O-N 3.48Å; D376-Y378 PolarHBondContact O-N 3.47Å; Y378-G380 PolarHBondContact O-N 3.26Å; Y378-G380 VanDerWaalsContact O-N 3.16Å; Y378-I389 HydrophobicContact CD2-CG2 4.39Å; Y378-I389 HydrophobicContact CE2-CG2 4.34Å; Y378-I389 HydrophobicContact CG-CG1 4.47Å
379Y70.1Confident77.6Confident50 Ų5060.4 Ų60.420%0.19633%0.326CS..  trans-8682.6175-56.2-55.1000110.1H252 A342 V375 D376 F385 V387H252-Y379 PolarHBondContact CE1-OH 3.05Å; H252-Y379 AromaticContact ND1-CZ 3.97Å; H252-Y379 PolarHBondContact ND1-OH 3Å; A342-Y379 HydrophobicContact CB-CE1 4.32Å; A342-Y379 HydrophobicContact CB-CE2 4.21Å; V375-Y379 HydrophobicContact CG2-CE2 3.81Å; V375-Y379 WeakPolarHBondContact CG2-OH 3.44Å; D376-Y379 PolarHBondContact O-N 3.45Å; Y379-F385 AromaticContact CD1-CE1 3.99Å; Y379-F385 HydrophobicContact CD1-CE1 3.99Å; Y379-F385 HydrophobicContact CE1-CE1 4.14Å; Y379-V387 HydrophobicContact CD1-CG2 4.41Å
380G64.4Low77.5Confident39 Ų3965.7 Ų65.740%0.40235%0.354SS..  trans-74.5160.2169.100000112.2Y378 E382 A383Y378-G380 PolarHBondContact O-N 3.26Å; Y378-G380 VanDerWaalsContact O-N 3.16Å; G380-E382 PolarHBondContact O-N 3.26Å; G380-E382 VanDerWaalsContact O-N 3.09Å; G380-A383 WeakPolarHBondContact O-CB 3.31Å; G380-A383 PolarHBondContact O-N 2.66Å
381P61.7Low77.3Confident146 Ų14666.1 Ų66.195%0.94836%0.357SS*.THydrogen-bonded Turntrans-62.5-1517824.5-33.1000114.3
382E59.9Low77.2Confident186 Ų18670.1 Ų70.187%0.86938%0.378SS*.THydrogen-bonded Turntrans-11720.3179.6-62.1-175.1164.700113.1G380 E384G380-E382 PolarHBondContact O-N 3.26Å; G380-E382 VanDerWaalsContact O-N 3.09Å; E382-E384 PolarHBondContact O-N 3.05Å
383A62.4Low77.1Confident30 Ų3070.8 Ų70.825%0.24838%0.381CS..PPolyproline II helixtrans-71.5120.6-176.800000112.2G380 V387G380-A383 WeakPolarHBondContact O-CB 3.31Å; G380-A383 PolarHBondContact O-N 2.66Å; A383-V387 HydrophobicContact CB-CG2 3.92Å
384E68.4Low77.1Confident178 Ų17872.2 Ų72.283%0.83240%0.397SS*.PPolyproline II helixtrans-72.7125.6165.8-70.7-172169.800109.5E382 P386E382-E384 PolarHBondContact O-N 3.05Å; E384-P386 CarbonylContact O-C 3.53Å
385F76.8Confident77.2Confident127 Ų12777 Ų7756%0.55742%0.416SS*.SBendtrans-87.4140.7177.7-66.5-73.3000110.9S251 Y379 V387S251-F385 VanDerWaalsContact O-CD1 3.3Å; S251-F385 WeakPolarHBondContact O-CD1 3.36Å; Y379-F385 AromaticContact CD1-CE1 3.99Å; Y379-F385 HydrophobicContact CD1-CE1 3.99Å; Y379-F385 HydrophobicContact CE1-CE1 4.14Å; F385-V387 HydrophobicContact CD1-CG2 4.26Å; F385-V387 HydrophobicContact CE1-CG2 4.42Å
386P76.8Confident77.6Confident45 Ų4577 Ų7729%0.29242%0.416SS..SBendcis-81.5141.50.230.9-32.6000112.9K250 S251 R253 E384K250-P386 WeakPolarHBondContact O-CB 3.36Å; S251-P386 WeakPolarHBondContact O-CA 2.9Å; R253-P386 HydrophobicContact CG-CB 4.01Å; R253-P386 HydrophobicContact CG-CG 3.96Å; E384-P386 CarbonylContact O-C 3.53Å
387V81.5Confident78.3Confident22 Ų2273.8 Ų73.813%0.13340%0.399CS..EExtended strand (participates in β ladder)trans-76.8127.3173.5-176.10000109.5S251 H252 R253 Y379 A383 F385 I389S251-V387 PolarHBondContact O-N 3.38Å; H252-V387 CarbonylContact C-O 3.57Å; H252-V387 VanDerWaalsContact CA-O 3.26Å; H252-V387 WeakPolarHBondContact CA-O 3.3Å; H252-V387 WeakPolarHBondContact CB-O 3.4Å; R253-V387 PolarHBondContact N-O 3.28Å; Y379-V387 HydrophobicContact CD1-CG2 4.41Å; A383-V387 HydrophobicContact CB-CG2 3.92Å; F385-V387 HydrophobicContact CD1-CG2 4.26Å; F385-V387 HydrophobicContact CE1-CG2 4.42Å; V387-I389 HydrophobicContact CB-CG1 4.47Å; V387-I389 HydrophobicContact CG1-CG1 4.05Å
388D82.3Confident79.2Confident118 Ų11871.3 Ų71.363%0.63139%0.389SS*.EExtended strand (participates in β ladder)trans-78.5120.6172.8-72.5-42.8000110R253R253-D388 VanDerWaalsContact CB-OD1 3.23Å; R253-D388 WeakPolarHBondContact CB-OD1 3.27Å; R253-D388 WeakPolarHBondContact CD-OD1 3.49Å
389I84.2Confident80.1Confident1 Ų167.5 Ų67.51%0.00538%0.377CS..EExtended strand (participates in β ladder)trans-122.9118.7-175.1-54.9173.6000109.5H252 R253 L254 H255 V375 Y378 V387H252-I389 HydrophobicContact CB-CD1 3.52Å; H252-I389 HydrophobicContact CB-CG1 4.26Å; R253-I389 PolarHBondContact O-N 2.8Å; L254-I389 HydrophobicContact CD2-CB 4.12Å; L254-I389 HydrophobicContact CD2-CD1 4.3Å; L254-I389 HydrophobicContact CD2-CG2 4.48Å; H255-I389 PolarHBondContact N-O 3.2Å; V375-I389 HydrophobicContact CB-CD1 3.75Å; V375-I389 HydrophobicContact CG1-CD1 3.9Å; V375-I389 HydrophobicContact CG1-CG2 3.96Å; V375-I389 HydrophobicContact CG2-CD1 3.9Å; Y378-I389 HydrophobicContact CD2-CG2 4.39Å; Y378-I389 HydrophobicContact CE2-CG2 4.34Å; Y378-I389 HydrophobicContact CG-CG1 4.47Å; V387-I389 HydrophobicContact CB-CG1 4.47Å; V387-I389 HydrophobicContact CG1-CG1 4.05Å
390N87.5Confident81.2Confident111 Ų11165.2 Ų65.259%0.59437%0.367SS*.EExtended strand (participates in β ladder)trans-88.7115.9170.3-70.7-29.4000109.6H255H255-N390 WeakPolarHBondContact CB-OD1 3.35Å
391I87.6Confident82.4Confident13 Ų1364.8 Ų64.87%0.06736%0.356CS..  trans-73.1132.1-179.7-58.2-171.5000109.7L244 L254 H255 W256 L337 V339 Y373 M393 V396L244-I391 HydrophobicContact CD1-CD1 3.98Å; L244-I391 HydrophobicContact CD2-CD1 4.47Å; L254-I391 HydrophobicContact CB-CD1 4.37Å; H255-I391 PolarHBondContact O-N 2.92Å; W256-I391 HydrophobicContact CB-CB 4.31Å; W256-I391 HydrophobicContact CB-CD1 4.04Å; W256-I391 HydrophobicContact CB-CG1 4.4Å; L337-I391 HydrophobicContact CD2-CD1 3.69Å; L337-I391 HydrophobicContact CD2-CG2 3.83Å; V339-I391 HydrophobicContact CG2-CD1 4.35Å; Y373-I391 HydrophobicContact CD2-CG2 4.49Å; Y373-I391 HydrophobicContact CE1-CG2 4.49Å; Y373-I391 HydrophobicContact CE2-CG2 4.29Å; I391-M393 HydrophobicContact CB-SD 4.29Å; I391-M393 HydrophobicContact CG2-SD 4.04Å; I391-M393 PolarHBondContact O-N 2.96Å; I391-V396 HydrophobicContact CG2-CG2 3.87Å
392N89.9Confident83.6Confident85 Ų8560.1 Ų60.146%0.45533%0.33SS..  trans-73.394.9172.9-175.9-23.5000110.6Y373 A394 K395 V396Y373-N392 PolarHBondContact OH-N 3.41Å; N392-A394 VanDerWaalsContact C-N 3.29Å; N392-A394 PolarHBondContact O-N 3.33Å; N392-A394 WeakPolarHBondContact OD1-CB 3.37Å; N392-A394 PolarHBondContact OD1-N 3.38Å; N392-A394 VanDerWaalsContact OD1-N 3.11Å; N392-K395 PolarHBondContact O-N 3.41Å; N392-K395 PolarHBondContact OD1-N 3.06Å; N392-V396 PolarHBondContact O-N 3.15Å
393M89.3Confident85.1Confident20 Ų2051.9 Ų51.910%0.09929%0.291CS..Hα-helixtrans-64.5-29.1-177.7-62-53.1-74.600113.5W256 I258 A261 I391 K395 V396 M397W256-M393 HydrophobicContact CB-SD 3.95Å; W256-M393 HydrophobicContact CE3-CE 4.23Å; I258-M393 HydrophobicContact CB-CE 4.28Å; I258-M393 HydrophobicContact CD1-CE 3.81Å; A261-M393 HydrophobicContact CB-CB 3.89Å; A261-M393 HydrophobicContact CB-CE 3.68Å; A261-M393 HydrophobicContact CB-CG 4.23Å; I391-M393 HydrophobicContact CB-SD 4.29Å; I391-M393 HydrophobicContact CG2-SD 4.04Å; I391-M393 PolarHBondContact O-N 2.96Å; M393-K395 VanDerWaalsContact C-N 3.33Å; M393-K395 PolarHBondContact O-N 3Å; M393-V396 PolarHBondContact O-N 3.41Å; M393-M397 HydrophobicContact CE-CE 3.8Å; M393-M397 VanDerWaalsContact O-CB 3.25Å; M393-M397 WeakPolarHBondContact O-CB 3.49Å; M393-M397 VanDerWaalsContact O-CG 3.23Å; M393-M397 WeakPolarHBondContact O-CG 3.11Å; M393-M397 PolarHBondContact O-N 3.37Å
394A89.6Confident86.4Confident50 Ų5050.5 Ų50.541%0.41328%0.28SS..Hα-helixtrans-64.4-39.4178.100000111.7N392 G398N392-A394 VanDerWaalsContact C-N 3.29Å; N392-A394 PolarHBondContact O-N 3.33Å; N392-A394 WeakPolarHBondContact OD1-CB 3.37Å; N392-A394 PolarHBondContact OD1-N 3.38Å; N392-A394 VanDerWaalsContact OD1-N 3.11Å; A394-G398 PolarHBondContact O-N 3.04Å
395K89.4Confident87.3Confident126 Ų12643.6 Ų43.655%0.54825%0.246SC..Hα-helixtrans-67.3-44.4175.9-174.2-180177.2-177.50111.5M371 N392 M393 V399M371-K395 HydrophobicContact CE-CG 4.32Å; N392-K395 PolarHBondContact O-N 3.41Å; N392-K395 PolarHBondContact OD1-N 3.06Å; M393-K395 VanDerWaalsContact C-N 3.33Å; M393-K395 PolarHBondContact O-N 3Å; K395-V399 PolarHBondContact O-N 3.45Å
396V91Very high87.8Confident0 Ų040.3 Ų40.30%023%0.234CC..Hα-helixtrans-66.3-48.9-179.5179.10000110.9L337 M371 Y373 I391 N392 M393 G398 V399 F400L337-V396 HydrophobicContact CD1-CG1 4.02Å; L337-V396 HydrophobicContact CD1-CG2 3.93Å; L337-V396 HydrophobicContact CD2-CG1 4.18Å; L337-V396 HydrophobicContact CD2-CG2 3.97Å; M371-V396 HydrophobicContact CE-CG2 4.23Å; M371-V396 HydrophobicContact SD-CB 4.26Å; M371-V396 HydrophobicContact SD-CG1 4.17Å; M371-V396 HydrophobicContact SD-CG2 4.14Å; Y373-V396 HydrophobicContact CD2-CG2 4.16Å; Y373-V396 HydrophobicContact CE2-CG2 4.45Å; I391-V396 HydrophobicContact CG2-CG2 3.87Å; N392-V396 PolarHBondContact O-N 3.15Å; M393-V396 PolarHBondContact O-N 3.41Å; V396-G398 VanDerWaalsContact C-N 3.31Å; V396-G398 PolarHBondContact O-N 3.46Å; V396-V399 PolarHBondContact O-N 2.88Å; V396-V399 VanDerWaalsContact O-N 3.15Å; V396-F400 HydrophobicContact CG1-CD2 3.73Å; V396-F400 HydrophobicContact CG1-CE1 4.34Å; V396-F400 HydrophobicContact CG1-CE2 3.39Å; V396-F400 HydrophobicContact CG1-CG 4.34Å; V396-F400 HydrophobicContact CG1-CZ 3.73Å; V396-F400 PolarHBondContact O-N 3.12Å
397M90.5Very high88.4Confident2 Ų238.3 Ų38.31%0.0122%0.221CC..Hα-helixtrans-65-33.4179.7-68.9-59.8120.600112.5I258 A261 Y265 I266 M393 V399 F400 L401I258-M397 HydrophobicContact CD1-CE 3.51Å; A261-M397 HydrophobicContact CB-CG 3.93Å; A261-M397 HydrophobicContact CB-SD 4.36Å; Y265-M397 HydrophobicContact CD2-CB 3.94Å; Y265-M397 HydrophobicContact CD2-CG 3.86Å; Y265-M397 HydrophobicContact CG-CB 4.04Å; Y265-M397 HydrophobicContact CG-CG 4.35Å; I266-M397 HydrophobicContact CD1-SD 4.45Å; I266-M397 HydrophobicContact CG1-SD 4.14Å; M393-M397 HydrophobicContact CE-CE 3.8Å; M393-M397 VanDerWaalsContact O-CB 3.25Å; M393-M397 WeakPolarHBondContact O-CB 3.49Å; M393-M397 VanDerWaalsContact O-CG 3.23Å; M393-M397 WeakPolarHBondContact O-CG 3.11Å; M393-M397 PolarHBondContact O-N 3.37Å; M397-V399 VanDerWaalsContact C-N 3.29Å; M397-V399 PolarHBondContact O-N 2.83Å; M397-F400 HydrophobicContact CE-CD2 3.7Å; M397-F400 HydrophobicContact CE-CE2 4.22Å; M397-F400 PolarHBondContact O-N 2.68Å; M397-L401 WeakPolarHBondContact O-CB 3.24Å; M397-L401 PolarHBondContact O-N 2.85Å
398G88.9Confident88.7Confident45 Ų4537.4 Ų37.446%0.46422%0.215SC..Hα-helixtrans-59.2-39.7173.500000112.8A394 V396 A402A394-G398 PolarHBondContact O-N 3.04Å; V396-G398 VanDerWaalsContact C-N 3.31Å; V396-G398 PolarHBondContact O-N 3.46Å; G398-A402 PolarHBondContact O-N 2.87Å
399V90.7Very high88.7Confident24 Ų2432.4 Ų32.415%0.14519%0.191CC..Hα-helixtrans-73.4-48176.2177.50000111.1A361 M371 K395 V396 M397 L401 A402 Q403A361-V399 HydrophobicContact CB-CG1 3.54Å; M371-V399 HydrophobicContact CE-CG2 4.37Å; M371-V399 HydrophobicContact SD-CB 4.01Å; M371-V399 HydrophobicContact SD-CG1 4.29Å; M371-V399 HydrophobicContact SD-CG2 4.07Å; K395-V399 PolarHBondContact O-N 3.45Å; V396-V399 PolarHBondContact O-N 2.88Å; V396-V399 VanDerWaalsContact O-N 3.15Å; M397-V399 VanDerWaalsContact C-N 3.29Å; M397-V399 PolarHBondContact O-N 2.83Å; V399-L401 VanDerWaalsContact C-N 3.34Å; V399-L401 PolarHBondContact O-N 2.88Å; V399-A402 PolarHBondContact O-N 2.73Å; V399-Q403 WeakPolarHBondContact O-CG 3.22Å; V399-Q403 PolarHBondContact O-N 2.67Å
400F91.6Very high88.7Confident1 Ų132.5 Ų32.50%0.00419%0.192CC..Hα-helixtrans-63.5-37.7-179.6-70.6-10.9000112.5F242 F335 L337 M371 V396 M397 Q403 L404F242-F400 AromaticContact CD1-CD2 3.77Å; F242-F400 HydrophobicContact CD1-CD2 3.77Å; F242-F400 AromaticContact CD1-CE2 3.96Å; F242-F400 HydrophobicContact CD1-CE2 3.96Å; F242-F400 HydrophobicContact CE1-CB 4.37Å; F242-F400 AromaticContact CE1-CD2 3.67Å; F242-F400 HydrophobicContact CE1-CD2 3.67Å; F242-F400 HydrophobicContact CE1-CE2 4.33Å; F242-F400 HydrophobicContact CE1-CG 4.35Å; F335-F400 HydrophobicContact CB-CD1 4.39Å; F335-F400 HydrophobicContact CB-CD2 4.11Å; F335-F400 HydrophobicContact CB-CE1 4.35Å; F335-F400 HydrophobicContact CB-CE2 4.08Å; F335-F400 HydrophobicContact CB-CG 4.28Å; F335-F400 HydrophobicContact CB-CZ 4.21Å; F335-F400 HydrophobicContact CD1-CB 4.11Å; F335-F400 AromaticContact CD1-CD1 3.87Å; F335-F400 HydrophobicContact CD1-CD1 3.87Å; F335-F400 HydrophobicContact CD1-CE1 4.45Å; F335-F400 AromaticContact CD1-CG 3.97Å; F335-F400 HydrophobicContact CD1-CG 3.97Å; F335-F400 HydrophobicContact CG-CG 4.35Å; L337-F400 HydrophobicContact CB-CZ 4.23Å; M371-F400 HydrophobicContact CB-CE1 3.78Å; M371-F400 HydrophobicContact CB-CZ 4.37Å; V396-F400 HydrophobicContact CG1-CD2 3.73Å; V396-F400 HydrophobicContact CG1-CE1 4.34Å; V396-F400 HydrophobicContact CG1-CE2 3.39Å; V396-F400 HydrophobicContact CG1-CG 4.34Å; V396-F400 HydrophobicContact CG1-CZ 3.73Å; V396-F400 PolarHBondContact O-N 3.12Å; M397-F400 HydrophobicContact CE-CD2 3.7Å; M397-F400 HydrophobicContact CE-CE2 4.22Å; M397-F400 PolarHBondContact O-N 2.68Å; F400-Q403 PolarHBondContact O-N 3.43Å; F400-L404 WeakPolarHBondContact O-CB 3.19Å; F400-L404 PolarHBondContact O-N 2.88Å
401L90.1Very high87.8Confident30 Ų3029.8 Ų29.816%0.15718%0.176CC..Hα-helixtrans-65.3-41176.2-173.1149.2000111.5I266 L269 M397 V399 L404 R405I266-L401 HydrophobicContact CD1-CB 4.47Å; L269-L401 HydrophobicContact CD2-CG 4.44Å; M397-L401 WeakPolarHBondContact O-CB 3.24Å; M397-L401 PolarHBondContact O-N 2.85Å; V399-L401 VanDerWaalsContact C-N 3.34Å; V399-L401 PolarHBondContact O-N 2.88Å; L401-L404 PolarHBondContact O-N 3Å; L401-R405 HydrophobicContact CD2-CG 4.33Å; L401-R405 WeakPolarHBondContact O-CB 3.23Å; L401-R405 VanDerWaalsContact O-CG 3.32Å; L401-R405 WeakPolarHBondContact O-CG 3.48Å; L401-R405 PolarHBondContact O-N 3.11Å
402A88.1Confident86.6Confident49 Ų4933 Ų3341%0.40520%0.199SC..Hα-helixtrans-63.3-43.6175.100000111.8G398 V399 L406G398-A402 PolarHBondContact O-N 2.87Å; V399-A402 PolarHBondContact O-N 2.73Å; A402-L406 WeakPolarHBondContact O-CG 3.37Å; A402-L406 PolarHBondContact O-N 2.84Å
403Q89.8Confident85.3Confident13 Ų1332.7 Ų32.76%0.06120%0.204CC..Hα-helixtrans-66.9-41.2176.5-70.5177.2-25.300112.3F335 F362 H363 V399 F400 L406 L407F335-Q403 HydrophobicContact CE1-CB 3.88Å; F362-Q403 PolarHBondContact O-NE2 3.45Å; H363-Q403 HydrophobicContact CB-CG 4.33Å; V399-Q403 WeakPolarHBondContact O-CG 3.22Å; V399-Q403 PolarHBondContact O-N 2.67Å; F400-Q403 PolarHBondContact O-N 3.43Å; Q403-L406 PolarHBondContact O-N 3.36Å; Q403-L407 WeakPolarHBondContact O-CB 3.27Å; Q403-L407 WeakPolarHBondContact O-CG 3.31Å; Q403-L407 PolarHBondContact O-N 3.24Å
404L90.1Very high84.4Confident1 Ų136.9 Ų36.91%0.00523%0.233CC..Hα-helixtrans-61.6-45177.1-179.861.3000111.3I240 I266 L269 L333 F335 F400 L401 L406 L407 L408I240-L404 HydrophobicContact CD1-CD1 4Å; I240-L404 HydrophobicContact CD1-CD2 4.34Å; I266-L404 HydrophobicContact CD1-CD2 4.22Å; I266-L404 HydrophobicContact CG2-CD2 4.32Å; L269-L404 HydrophobicContact CD2-CD2 3.89Å; L269-L404 HydrophobicContact CD2-CG 4.42Å; L333-L404 HydrophobicContact CD2-CD1 3.81Å; F335-L404 HydrophobicContact CE1-CB 4.36Å; F335-L404 HydrophobicContact CE2-CB 4.39Å; F335-L404 HydrophobicContact CE2-CD1 3.87Å; F335-L404 HydrophobicContact CZ-CB 3.7Å; F335-L404 HydrophobicContact CZ-CD1 3.82Å; F335-L404 HydrophobicContact CZ-CG 4.33Å; F400-L404 WeakPolarHBondContact O-CB 3.19Å; F400-L404 PolarHBondContact O-N 2.88Å; L401-L404 PolarHBondContact O-N 3Å; L404-L406 VanDerWaalsContact C-N 3.34Å; L404-L406 PolarHBondContact O-N 2.86Å; L404-L407 PolarHBondContact O-N 2.94Å; L404-L408 HydrophobicContact CD1-CD1 3.75Å; L404-L408 HydrophobicContact CD1-CG 3.96Å; L404-L408 HydrophobicContact CG-CD1 3.82Å; L404-L408 HydrophobicContact CG-CG 4.38Å; L404-L408 WeakPolarHBondContact O-CB 3.23Å; L404-L408 VanDerWaalsContact O-CG 3.28Å; L404-L408 WeakPolarHBondContact O-CG 3.21Å; L404-L408 PolarHBondContact O-N 3.42Å
405R88.6Confident83.7Confident32 Ų3237.5 Ų37.512%0.12123%0.233CC..Hα-helixtrans-56.6-47.3174.5-77.3174.270.2-176.83.9111.8L269 L401 L408 G409 V410 C424 G428 E433L269-R405 HydrophobicContact CD2-CG 4.49Å; L401-R405 HydrophobicContact CD2-CG 4.33Å; L401-R405 WeakPolarHBondContact O-CB 3.23Å; L401-R405 VanDerWaalsContact O-CG 3.32Å; L401-R405 WeakPolarHBondContact O-CG 3.48Å; L401-R405 PolarHBondContact O-N 3.11Å; R405-L408 PolarHBondContact O-N 2.96Å; R405-G409 PolarHBondContact O-N 2.58Å; R405-V410 HydrophobicContact CB-CB 4.08Å; R405-V410 WeakPolarHBondContact O-CB 3.24Å; R405-V410 PolarHBondContact O-N 3.06Å; R405-C424 VanDerWaalsContact CZ-SG 3.59Å; R405-C424 PolarHBondContact NH1-SG 3.41Å; R405-C424 PolarHBondContact NH2-SG 3.2Å; R405-G428 WeakPolarHBondContact CD-O 3.29Å; R405-G428 PolarHBondContact NE-O 3.16Å; R405-E433 IonicContact CZ-OE1 2.67Å; R405-E433 IonicContact NH2-OE1 2.68Å; R405-E433 PolarHBondContact NH2-OE1 2.88Å; R405-E433 IonicContact NH2-OE2 3.5Å; R405-E433 PolarHBondContact NH2-OE2 2.92Å
406L87.3Confident83.3Confident59 Ų5932.8 Ų32.831%0.30922%0.215SC..Hα-helixtrans-61.3-46.9177.2-72.3167.7000112.1A402 Q403 L404 L408 G409A402-L406 WeakPolarHBondContact O-CG 3.37Å; A402-L406 PolarHBondContact O-N 2.84Å; Q403-L406 PolarHBondContact O-N 3.36Å; L404-L406 VanDerWaalsContact C-N 3.34Å; L404-L406 PolarHBondContact O-N 2.86Å; L406-L408 VanDerWaalsContact C-N 3.33Å; L406-L408 PolarHBondContact O-N 3.33Å; L406-G409 PolarHBondContact O-N 3.2Å; L406-G409 VanDerWaalsContact O-N 3.08Å
407L88.3Confident82.8Confident2 Ų238.8 Ų38.81%0.0125%0.254CS..Hα-helixtrans-67.2-32.2-178.8-71.6172.3000112.8A231 F232 L333 F335 Q403 L404 G409A231-L407 WeakPolarHBondContact CA-O 3.47Å; F232-L407 HydrophobicContact CD2-CB 4.14Å; F232-L407 HydrophobicContact CD2-CD2 4.28Å; F232-L407 HydrophobicContact CE2-CB 4.36Å; F232-L407 HydrophobicContact CE2-CD2 4.09Å; F232-L407 PolarHBondContact N-O 3.4Å; L333-L407 HydrophobicContact CD2-CB 3.89Å; L333-L407 HydrophobicContact CD2-CD1 4.19Å; F335-L407 HydrophobicContact CE1-CD1 4.35Å; F335-L407 HydrophobicContact CZ-CD1 4.08Å; Q403-L407 WeakPolarHBondContact O-CB 3.27Å; Q403-L407 WeakPolarHBondContact O-CG 3.31Å; Q403-L407 PolarHBondContact O-N 3.24Å; L404-L407 PolarHBondContact O-N 2.94Å; L407-G409 PolarHBondContact O-N 2.93Å
408L87.4Confident82.4Confident3 Ų340 Ų402%0.01627%0.266CS..THydrogen-bonded Turntrans-77.7-6.5174.4-66.3174.7000113.2Y238 M273 F279 L333 L404 R405 L406 R441Y238-L408 HydrophobicContact CD2-CD2 4.37Å; Y238-L408 HydrophobicContact CE2-CD2 4.46Å; M273-L408 HydrophobicContact CE-CB 4.01Å; M273-L408 HydrophobicContact CE-CD1 3.66Å; M273-L408 HydrophobicContact CE-CG 4.35Å; M273-L408 HydrophobicContact SD-CD1 3.73Å; F279-L408 HydrophobicContact CE1-CD1 4.37Å; F279-L408 HydrophobicContact CE1-CD2 3.94Å; L333-L408 HydrophobicContact CD2-CD2 4.42Å; L404-L408 HydrophobicContact CD1-CD1 3.75Å; L404-L408 HydrophobicContact CD1-CG 3.96Å; L404-L408 HydrophobicContact CG-CD1 3.82Å; L404-L408 HydrophobicContact CG-CG 4.38Å; L404-L408 WeakPolarHBondContact O-CB 3.23Å; L404-L408 VanDerWaalsContact O-CG 3.28Å; L404-L408 WeakPolarHBondContact O-CG 3.21Å; L404-L408 PolarHBondContact O-N 3.42Å; R405-L408 PolarHBondContact O-N 2.96Å; L406-L408 VanDerWaalsContact C-N 3.33Å; L406-L408 PolarHBondContact O-N 3.33Å; L408-R441 PolarHBondContact O-NH2 2.96Å
409G83.4Confident82.3Confident13 Ų1338.6 Ų38.613%0.13425%0.248CC..THydrogen-bonded Turntrans9115.2177.400000114.7R405 L406 L407 Q411R405-G409 PolarHBondContact O-N 2.58Å; L406-G409 PolarHBondContact O-N 3.2Å; L406-G409 VanDerWaalsContact O-N 3.08Å; L407-G409 PolarHBondContact O-N 2.93Å; G409-Q411 PolarHBondContact O-N 3.35Å; G409-Q411 VanDerWaalsContact O-N 3.08Å
410V83.9Confident82.1Confident4 Ų441 Ų412%0.02426%0.259CS..  trans-75.398171.9-1760000108.3R405 S412 L429 E433 L437R405-V410 HydrophobicContact CB-CB 4.08Å; R405-V410 WeakPolarHBondContact O-CB 3.24Å; R405-V410 PolarHBondContact O-N 3.06Å; V410-S412 PolarHBondContact O-N 2.88Å; V410-L429 HydrophobicContact CB-CD1 4.38Å; V410-L429 HydrophobicContact CG1-CD1 3.67Å; V410-L429 HydrophobicContact CG2-CD1 3.77Å; V410-E433 HydrophobicContact CG1-CB 4.31Å; V410-L437 HydrophobicContact CG2-CD2 4.38Å
411Q69Low81.9Confident53 Ų5343.2 Ų43.225%0.24827%0.273CS..  trans-70.9123.3-175.4-59-60.5-8.300111.4G409 S413G409-Q411 PolarHBondContact O-N 3.35Å; G409-Q411 VanDerWaalsContact O-N 3.08Å; Q411-S413 PolarHBondContact O-N 3.22Å
412S62.1Low81.6Confident80 Ų8042.2 Ų42.256%0.55927%0.269SS*.  trans-95.570.6170.1-67.30000109.6V410V410-S412 PolarHBondContact O-N 2.88Å
413S63.4Low81.2Confident80 Ų8044.8 Ų44.856%0.55928%0.282SS*.PPolyproline II helixtrans-73.2133172-169.90000109.1Q411Q411-S413 PolarHBondContact O-N 3.22Å
414P69.3Low80.4Confident107 Ų10746.9 Ų46.970%0.69530%0.297SS*.PPolyproline II helixtrans-59.3133.2177.224.5-32.7000109.3
415P75.1Confident79.6Confident63 Ų6347.9 Ų47.941%0.40931%0.307SS..PPolyproline II helixtrans-61.7144.618025.4-32.9000109.9F419 V421P415-F419 HydrophobicContact CB-CB 3.93Å; P415-V421 HydrophobicContact CB-CG2 3.9Å; P415-V421 HydrophobicContact CG-CG2 4.4Å
416P81.2Confident78.9Confident27 Ų2758 Ų5818%0.17535%0.345CS..PPolyproline II helixtrans-58.8159.9175-19.929.8000112.5Q195 V199 G418 F419Q195-P416 HydrophobicContact CG-CG 4.12Å; Q195-P416 VanDerWaalsContact NE2-CG 3.34Å; V199-P416 HydrophobicContact CG2-CG 4.19Å; P416-G418 PolarHBondContact O-N 3.45Å; P416-F419 HydrophobicContact CB-CD2 3.86Å; P416-F419 HydrophobicContact CB-CE2 4.21Å; P416-F419 HydrophobicContact CB-CG 4.35Å; P416-F419 HydrophobicContact CG-CD2 4.23Å; P416-F419 HydrophobicContact CG-CE2 4.45Å; P416-F419 HydrophobicContact CG-CG 4.34Å; P416-F419 WeakPolarHBondContact O-CB 3.44Å; P416-F419 PolarHBondContact O-N 2.88Å
417P81.1Confident78.3Confident127 Ų12757.7 Ų57.783%0.82535%0.346SS*.THydrogen-bonded Turntrans-58.8131.8179.524.9-33.9000111.2F419P417-F419 VanDerWaalsContact C-N 3.35Å
418G81.8Confident77.9Confident26 Ų2657.8 Ų57.827%0.26835%0.348SS..THydrogen-bonded Turntrans84.32.4-176.900000115.1K159 V160 P416K159-G418 PolarHBondContact N-O 2.99Å; V160-G418 PolarHBondContact N-O 3.43Å; V160-G418 VanDerWaalsContact N-O 3.11Å; P416-G418 PolarHBondContact O-N 3.45Å
419F85.9Confident77.9Confident17 Ų1757.7 Ų57.78%0.07535%0.347CS..EExtended strand (participates in β ladder)trans-97.6132.5171.1-75.3-121.3000110.1V160 I162 Q195 V196 P415 P416 P417V160-F419 HydrophobicContact CB-CD1 3.78Å; V160-F419 HydrophobicContact CB-CD2 4.15Å; V160-F419 HydrophobicContact CB-CE1 3.83Å; V160-F419 HydrophobicContact CB-CE2 4.18Å; V160-F419 HydrophobicContact CB-CG 3.93Å; V160-F419 HydrophobicContact CB-CZ 4.02Å; V160-F419 HydrophobicContact CG1-CD1 3.9Å; V160-F419 HydrophobicContact CG1-CE1 3.73Å; V160-F419 HydrophobicContact CG1-CZ 4.23Å; V160-F419 HydrophobicContact CG2-CD1 4.24Å; V160-F419 HydrophobicContact CG2-CD2 3.96Å; V160-F419 HydrophobicContact CG2-CE1 3.91Å; V160-F419 HydrophobicContact CG2-CE2 3.59Å; V160-F419 HydrophobicContact CG2-CG 4.26Å; V160-F419 HydrophobicContact CG2-CZ 3.56Å; V160-F419 CarbonylContact O-C 3.55Å; V160-F419 WeakPolarHBondContact O-CA 3.4Å; I162-F419 HydrophobicContact CD1-CD1 3.85Å; I162-F419 HydrophobicContact CD1-CE1 4.39Å; I162-F419 HydrophobicContact CG1-CD1 4.47Å; Q195-F419 HydrophobicContact CB-CZ 4.02Å; Q195-F419 HydrophobicContact CG-CE1 4.34Å; Q195-F419 HydrophobicContact CG-CE2 4.02Å; Q195-F419 HydrophobicContact CG-CZ 3.6Å; V196-F419 HydrophobicContact CG2-CE1 3.87Å; V196-F419 HydrophobicContact CG2-CZ 4.25Å; P415-F419 HydrophobicContact CB-CB 3.93Å; P416-F419 HydrophobicContact CB-CD2 3.86Å; P416-F419 HydrophobicContact CB-CE2 4.21Å; P416-F419 HydrophobicContact CB-CG 4.35Å; P416-F419 HydrophobicContact CG-CD2 4.23Å; P416-F419 HydrophobicContact CG-CE2 4.45Å; P416-F419 HydrophobicContact CG-CG 4.34Å; P416-F419 WeakPolarHBondContact O-CB 3.44Å; P416-F419 PolarHBondContact O-N 2.88Å; P417-F419 VanDerWaalsContact C-N 3.35Å
420L87.1Confident78.2Confident74 Ų7457.4 Ų57.439%0.38734%0.344SS..EExtended strand (participates in β ladder)trans-115.3118.1170.8-175.467.9000108.6V158 V160 Y161 I162V158-L420 HydrophobicContact CG1-CB 3.62Å; V158-L420 HydrophobicContact CG2-CB 4.15Å; V158-L420 HydrophobicContact CG2-CD2 4.32Å; V160-L420 PolarHBondContact O-N 3.14Å; Y161-L420 WeakPolarHBondContact CA-O 3.29Å; Y161-L420 HydrophobicContact CD2-CB 4.19Å; Y161-L420 HydrophobicContact CD2-CD2 3.96Å; Y161-L420 HydrophobicContact CD2-CG 4.11Å; Y161-L420 HydrophobicContact CE2-CD2 4.26Å; Y161-L420 HydrophobicContact CE2-CG 4.46Å; I162-L420 PolarHBondContact N-O 2.9Å
421V86.5Confident78.5Confident47 Ų4758.1 Ų58.129%0.28535%0.347SS..EExtended strand (participates in β ladder)trans-94.3131.6175.4-1790000108.4I162 P415 W432I162-V421 HydrophobicContact CB-CG2 4.3Å; I162-V421 HydrophobicContact CD1-CG2 4.18Å; I162-V421 HydrophobicContact CG2-CG1 4.5Å; P415-V421 HydrophobicContact CB-CG2 3.9Å; P415-V421 HydrophobicContact CG-CG2 4.4Å; V421-W432 HydrophobicContact CG1-CZ2 3.82Å
422A84.9Confident79.4Confident9 Ų956.4 Ų56.47%0.07434%0.338CS..PPolyproline II helixtrans-57.3137.9176.200000110.6Y161 I162 Q164Y161-A422 HydrophobicContact CE2-CB 4.26Å; Y161-A422 WeakPolarHBondContact OH-CB 3.46Å; I162-A422 WeakPolarHBondContact O-CB 3.44Å; I162-A422 PolarHBondContact O-N 2.53Å; Q164-A422 HydrophobicContact CG-CB 3.78Å
423P80.3Confident80.8Confident104 Ų10453.4 Ų53.468%0.67532%0.316SS*.PPolyproline II helixtrans-61.1148174.427.8-34.1000109.3Q164 G425Q164-P423 PolarHBondContact NE2-O 3.04Å; P423-G425 PolarHBondContact O-N 3.28Å
424C71.4Confident82.1Confident57 Ų5750.2 Ų50.239%0.38529%0.292SS..PPolyproline II helixtrans-60.3133.4-179.6-57.60000110.8R405R405-C424 VanDerWaalsContact CZ-SG 3.59Å; R405-C424 PolarHBondContact NH1-SG 3.41Å; R405-C424 PolarHBondContact NH2-SG 3.2Å
425G73.1Confident83.1Confident21 Ų2145.4 Ų45.422%0.21626%0.261CS..  trans-70.9-175.3174.500000112.5P423 T427 G428P423-G425 PolarHBondContact O-N 3.28Å; G425-T427 PolarHBondContact O-N 3.05Å; G425-G428 PolarHBondContact O-N 3.17Å
426R73.6Confident83.8Confident245 Ų24544 Ų4493%0.92525%0.247SC*.THydrogen-bonded Turntrans-59.2-19179.2-64.5-177.5-179.5178.60114G428R426-G428 VanDerWaalsContact C-N 3.29Å
427T75.8Confident84.3Confident52 Ų5243.1 Ų43.132%0.31924%0.241SC..THydrogen-bonded Turntrans-78.2-9.4177.153.10000113.7L269 G425 L429L269-T427 VanDerWaalsContact CA-O 3.3Å; L269-T427 WeakPolarHBondContact CA-O 3.3Å; L269-T427 PolarHBondContact N-O 2.99Å; G425-T427 PolarHBondContact O-N 3.05Å; T427-L429 PolarHBondContact O-N 2.94Å; T427-L429 VanDerWaalsContact O-N 3.13Å; T427-L429 PolarHBondContact OG1-O 2.98Å; T427-L429 VanDerWaalsContact OG1-O 3.14Å
428G80.2Confident84.8Confident5 Ų537.3 Ų37.35%0.05220%0.203CC..SBendtrans73.8-3.8178.200000116R405 G425 R426R405-G428 WeakPolarHBondContact CD-O 3.29Å; R405-G428 PolarHBondContact NE-O 3.16Å; G425-G428 PolarHBondContact O-N 3.17Å; R426-G428 VanDerWaalsContact C-N 3.29Å
429L87.6Confident85.3Confident1 Ų136.1 Ų36.11%0.00519%0.19CC..SBendtrans-148.6138.4-178.9-17172.8000110.2L269 K272 M273 V410 T427 E433 L434L269-L429 HydrophobicContact CD1-CB 3.56Å; L269-L429 HydrophobicContact CD1-CD2 4.25Å; L269-L429 HydrophobicContact CD1-CG 4.37Å; K272-L429 HydrophobicContact CD-CB 4.32Å; K272-L429 PolarHBondContact NZ-O 2.92Å; M273-L429 HydrophobicContact CG-CD2 3.8Å; M273-L429 HydrophobicContact SD-CD2 4.23Å; V410-L429 HydrophobicContact CB-CD1 4.38Å; V410-L429 HydrophobicContact CG1-CD1 3.67Å; V410-L429 HydrophobicContact CG2-CD1 3.77Å; T427-L429 PolarHBondContact O-N 2.94Å; T427-L429 VanDerWaalsContact O-N 3.13Å; T427-L429 PolarHBondContact OG1-O 2.98Å; T427-L429 VanDerWaalsContact OG1-O 3.14Å; L429-E433 HydrophobicContact CD1-CB 3.67Å; L429-E433 HydrophobicContact CG-CB 4.18Å; L429-L434 HydrophobicContact CD2-CB 3.88Å; L429-L434 HydrophobicContact CD2-CD1 4.07Å
430A88.9Confident85.5Confident7 Ų736.7 Ų36.76%0.05820%0.197CC..  trans-80.6159.4171.300000111.7Q164 W432 E433 L434Q164-A430 CarbonylContact O-C 3.53Å; Q164-A430 WeakPolarHBondContact O-CA 3.13Å; Q164-A430 VanDerWaalsContact O-CB 3.32Å; Q164-A430 WeakPolarHBondContact O-CB 3.37Å; A430-W432 HydrophobicContact CB-CG 4.39Å; A430-E433 HydrophobicContact CB-CB 4.32Å; A430-E433 HydrophobicContact CB-CG 3.97Å; A430-E433 WeakPolarHBondContact CB-OE2 3.23Å; A430-E433 PolarHBondContact N-OE2 2.96Å; A430-E433 PolarHBondContact O-N 2.83Å; A430-L434 PolarHBondContact O-N 2.85Å
431D89.6Confident85.6Confident18 Ų1833.6 Ų33.610%0.09618%0.18CC..Hα-helixtrans-68.5-38.4-179.2-66.4-18.7000112Q164 R165 R166 K272 E433 L434 D435Q164-D431 PolarHBondContact O-N 2.91Å; R165-D431 WeakPolarHBondContact CD-OD2 3.5Å; R165-D431 IonicContact CZ-OD2 3.53Å; R165-D431 IonicContact NE-OD2 3.78Å; R165-D431 IonicContact NH1-OD1 3.66Å; R165-D431 PolarHBondContact NH1-OD1 3.27Å; R165-D431 IonicContact NH1-OD2 2.92Å; R165-D431 PolarHBondContact NH1-OD2 2.99Å; R166-D431 HydrophobicContact CG-CB 4.45Å; K272-D431 WeakPolarHBondContact CE-OD1 3.48Å; K272-D431 IonicContact NZ-OD1 3.76Å; K272-D431 PolarHBondContact NZ-OD1 2.87Å; D431-E433 VanDerWaalsContact C-N 3.34Å; D431-L434 WeakPolarHBondContact O-CB 3.33Å; D431-L434 PolarHBondContact O-N 2.83Å; D431-D435 PolarHBondContact O-N 2.84Å
432W88.8Confident86Confident17 Ų1731.3 Ų31.36%0.06417%0.166CC..Hα-helixtrans-69.7-31.317766.3-97.5000112.5I162 G163 V199 M200 V421 A430 L434 D435 R436I162-W432 HydrophobicContact CG2-CD2 4.44Å; I162-W432 HydrophobicContact CG2-CZ2 4.15Å; G163-W432 PolarHBondContact O-NE1 3.15Å; V199-W432 WeakPolarHBondContact O-CZ3 3.33Å; M200-W432 HydrophobicContact CB-CB 4.24Å; M200-W432 HydrophobicContact CB-CD2 4.47Å; M200-W432 HydrophobicContact CB-CE3 4.24Å; M200-W432 HydrophobicContact CE-CB 3.48Å; M200-W432 VanDerWaalsContact CE-CB 3.48Å; M200-W432 HydrophobicContact CE-CD2 4.3Å; M200-W432 HydrophobicContact CE-CG 3.52Å; M200-W432 HydrophobicContact CG-CB 4.39Å; M200-W432 HydrophobicContact CG-CD2 4.03Å; M200-W432 HydrophobicContact CG-CE3 4.06Å; M200-W432 HydrophobicContact CG-CG 4.19Å; V421-W432 HydrophobicContact CG1-CZ2 3.82Å; A430-W432 HydrophobicContact CB-CG 4.39Å; W432-L434 VanDerWaalsContact C-N 3.3Å; W432-D435 PolarHBondContact O-N 2.9Å; W432-R436 WeakPolarHBondContact O-CB 3.33Å; W432-R436 PolarHBondContact O-N 2.84Å
433E90.6Very high86.3Confident17 Ų1730.9 Ų30.98%0.07916%0.163CC..Hα-helixtrans-65.3-39174.2-72.5179.2131.200110.8R405 V410 L429 A430 D431 L437R405-E433 IonicContact CZ-OE1 2.67Å; R405-E433 IonicContact NH2-OE1 2.68Å; R405-E433 PolarHBondContact NH2-OE1 2.88Å; R405-E433 IonicContact NH2-OE2 3.5Å; R405-E433 PolarHBondContact NH2-OE2 2.92Å; V410-E433 HydrophobicContact CG1-CB 4.31Å; L429-E433 HydrophobicContact CD1-CB 3.67Å; L429-E433 HydrophobicContact CG-CB 4.18Å; A430-E433 HydrophobicContact CB-CB 4.32Å; A430-E433 HydrophobicContact CB-CG 3.97Å; A430-E433 WeakPolarHBondContact CB-OE2 3.23Å; A430-E433 PolarHBondContact N-OE2 2.96Å; A430-E433 PolarHBondContact O-N 2.83Å; D431-E433 VanDerWaalsContact C-N 3.34Å; E433-L437 PolarHBondContact O-N 3.1Å
434L91.2Very high86.8Confident14 Ų1427 Ų277%0.07314%0.135CC..Hα-helixtrans-64-49.1173.7-179.363.9000110.6K272 M273 V276 L429 A430 D431 W432 R436 L437 M438K272-L434 HydrophobicContact CG-CD2 4.18Å; M273-L434 HydrophobicContact CG-CD1 4.43Å; V276-L434 HydrophobicContact CG2-CD1 3.8Å; L429-L434 HydrophobicContact CD2-CB 3.88Å; L429-L434 HydrophobicContact CD2-CD1 4.07Å; A430-L434 PolarHBondContact O-N 2.85Å; D431-L434 WeakPolarHBondContact O-CB 3.33Å; D431-L434 PolarHBondContact O-N 2.83Å; W432-L434 VanDerWaalsContact C-N 3.3Å; L434-R436 VanDerWaalsContact C-N 3.32Å; L434-R436 PolarHBondContact O-N 2.82Å; L434-L437 WeakPolarHBondContact O-CB 3.32Å; L434-L437 PolarHBondContact O-N 3.18Å; L434-L437 VanDerWaalsContact O-N 3.13Å; L434-M438 HydrophobicContact CD1-CE 3.98Å; L434-M438 HydrophobicContact CD2-CE 3.89Å; L434-M438 HydrophobicContact CG-CE 3.75Å; L434-M438 HydrophobicContact CG-SD 4.47Å; L434-M438 VanDerWaalsContact O-CG 3.29Å; L434-M438 WeakPolarHBondContact O-CG 3.46Å; L434-M438 PolarHBondContact O-N 3.42Å
435D91.6Very high87.8Confident5 Ų524.6 Ų24.63%0.02712%0.119CC..Hα-helixtrans-58.9-43.1178.5-69.7-2.6000111.6G140 R166 D431 W432 L437 M438 W439 L495G140-D435 PolarHBondContact N-OD2 3.36Å; R166-D435 IonicContact CZ-OD1 3.53Å; R166-D435 IonicContact CZ-OD2 3.52Å; R166-D435 IonicContact NE-OD1 3.71Å; R166-D435 IonicContact NE-OD2 2.79Å; R166-D435 PolarHBondContact NE-OD2 3.39Å; R166-D435 IonicContact NH2-OD1 3.33Å; R166-D435 PolarHBondContact NH2-OD1 3.17Å; R166-D435 IonicContact NH2-OD2 3.65Å; R166-D435 PolarHBondContact NH2-OD2 2.96Å; D431-D435 PolarHBondContact O-N 2.84Å; W432-D435 PolarHBondContact O-N 2.9Å; D435-L437 VanDerWaalsContact C-N 3.32Å; D435-L437 PolarHBondContact O-N 3.05Å; D435-M438 WeakPolarHBondContact O-CB 3.44Å; D435-M438 PolarHBondContact O-N 2.93Å; D435-M438 VanDerWaalsContact O-N 3.12Å; D435-W439 PolarHBondContact O-N 2.86Å; D435-L495 HydrophobicContact CB-CD2 3.98Å
436R89.9Confident88.8Confident34 Ų3423.6 Ų23.613%0.12811%0.108CC..Hα-helixtrans-59.8-41.8174.8-179.7164.2-177.3-172.6-5.5112.4V199 S201 D206 W432 L434 W439 S440V199-R436 WeakPolarHBondContact O-CD 3.33Å; V199-R436 PolarHBondContact O-NH1 2.89Å; S201-R436 WeakPolarHBondContact O-CA 3.41Å; S201-R436 WeakPolarHBondContact O-CB 3.32Å; S201-R436 VanDerWaalsContact O-CG 3.29Å; S201-R436 WeakPolarHBondContact O-CG 3.34Å; D206-R436 VanDerWaalsContact CG-NH2 3.33Å; D206-R436 IonicContact OD1-NH2 2.7Å; D206-R436 PolarHBondContact OD1-NH2 2.83Å; D206-R436 IonicContact OD2-CZ 3.35Å; D206-R436 VanDerWaalsContact OD2-CZ 3.29Å; D206-R436 IonicContact OD2-NE 2.79Å; D206-R436 PolarHBondContact OD2-NE 2.77Å; D206-R436 IonicContact OD2-NH2 2.88Å; D206-R436 PolarHBondContact OD2-NH2 2.86Å; W432-R436 WeakPolarHBondContact O-CB 3.33Å; W432-R436 PolarHBondContact O-N 2.84Å; L434-R436 VanDerWaalsContact C-N 3.32Å; L434-R436 PolarHBondContact O-N 2.82Å; R436-W439 PolarHBondContact O-N 2.92Å; R436-S440 PolarHBondContact O-N 3.38Å
437L90.3Very high89.6Confident8 Ų812 Ų124%0.0426%0.064CC..Hα-helixtrans-63.4-43173.8-178.164.7000111M273 V276 V410 E433 L434 D435 W439 S440 R441M273-L437 HydrophobicContact CE-CD2 3.57Å; V276-L437 HydrophobicContact CG1-CD2 4.47Å; V276-L437 HydrophobicContact CG2-CD2 4.49Å; V410-L437 HydrophobicContact CG2-CD2 4.38Å; E433-L437 PolarHBondContact O-N 3.1Å; L434-L437 WeakPolarHBondContact O-CB 3.32Å; L434-L437 PolarHBondContact O-N 3.18Å; L434-L437 VanDerWaalsContact O-N 3.13Å; D435-L437 VanDerWaalsContact C-N 3.32Å; D435-L437 PolarHBondContact O-N 3.05Å; L437-W439 VanDerWaalsContact C-N 3.34Å; L437-W439 PolarHBondContact O-N 2.86Å; L437-S440 PolarHBondContact O-N 2.92Å; L437-R441 HydrophobicContact CD1-CG 3.94Å; L437-R441 HydrophobicContact CG-CG 4.05Å; L437-R441 WeakPolarHBondContact O-CB 3.48Å; L437-R441 WeakPolarHBondContact O-CG 3.05Å; L437-R441 PolarHBondContact O-N 3.24Å
438M92.3Very high90.4Very high5 Ų510.7 Ų10.73%0.0256%0.057CC..Hα-helixtrans-59.7-43.3177.7-66.2-175.4169.400111.6P275 V276 L434 D435 S440 R441 S442 L495 L499P275-M438 HydrophobicContact CB-CE 3.82Å; P275-M438 HydrophobicContact CG-CE 4.23Å; V276-M438 HydrophobicContact CG2-CE 4.2Å; V276-M438 HydrophobicContact CG2-CG 4.28Å; L434-M438 HydrophobicContact CD1-CE 3.98Å; L434-M438 HydrophobicContact CD2-CE 3.89Å; L434-M438 HydrophobicContact CG-CE 3.75Å; L434-M438 HydrophobicContact CG-SD 4.47Å; L434-M438 VanDerWaalsContact O-CG 3.29Å; L434-M438 WeakPolarHBondContact O-CG 3.46Å; L434-M438 PolarHBondContact O-N 3.42Å; D435-M438 WeakPolarHBondContact O-CB 3.44Å; D435-M438 PolarHBondContact O-N 2.93Å; D435-M438 VanDerWaalsContact O-N 3.12Å; M438-S440 PolarHBondContact O-N 3.39Å; M438-R441 PolarHBondContact O-N 3.41Å; M438-S442 WeakPolarHBondContact O-CB 3.32Å; M438-S442 PolarHBondContact O-N 2.78Å; M438-S442 PolarHBondContact O-OG 2.8Å; M438-L495 HydrophobicContact CB-CD1 3.99Å; M438-L495 HydrophobicContact CB-CD2 3.89Å; M438-L495 HydrophobicContact CB-CG 3.87Å; M438-L499 HydrophobicContact CB-CD2 4.2Å; M438-L499 HydrophobicContact CE-CD2 4.05Å; M438-L499 HydrophobicContact CG-CD2 3.7Å; M438-L499 HydrophobicContact SD-CD2 4.07Å
439W91.9Very high91Very high1 Ų110.5 Ų10.50%0.0045%0.054CC..Hα-helixtrans-57-51.1175.4-79115.3000112.1L61 S62 F202 I207 D435 R436 L437 R441 S442 V443 L490 L495L61-W439 HydrophobicContact CB-CE3 4.31Å; L61-W439 HydrophobicContact CB-CH2 4.46Å; L61-W439 HydrophobicContact CB-CZ3 3.82Å; L61-W439 HydrophobicContact CD2-CD2 4.47Å; L61-W439 HydrophobicContact CD2-CE3 3.61Å; L61-W439 HydrophobicContact CD2-CZ3 3.98Å; L61-W439 HydrophobicContact CG-CE3 4.01Å; L61-W439 HydrophobicContact CG-CZ3 3.85Å; S62-W439 WeakPolarHBondContact O-CH2 3.49Å; F202-W439 HydrophobicContact CB-CB 4.34Å; F202-W439 HydrophobicContact CD1-CB 4.41Å; F202-W439 AromaticContact CD1-CD1 3.92Å; F202-W439 AromaticContact CD1-CD2 3.73Å; F202-W439 HydrophobicContact CD1-CD2 3.73Å; F202-W439 AromaticContact CD1-CE2 3.88Å; F202-W439 HydrophobicContact CD1-CE3 4.25Å; F202-W439 AromaticContact CD1-CG 3.79Å; F202-W439 HydrophobicContact CD1-CG 3.79Å; F202-W439 AromaticContact CD1-NE1 3.95Å; F202-W439 HydrophobicContact CE1-CD2 4.07Å; F202-W439 AromaticContact CE1-CE2 3.97Å; F202-W439 HydrophobicContact CE1-CE3 4.32Å; F202-W439 HydrophobicContact CE1-CH2 4.44Å; F202-W439 HydrophobicContact CE1-CZ2 4.19Å; F202-W439 HydrophobicContact CE1-CZ3 4.48Å; I207-W439 HydrophobicContact CD1-CB 4.42Å; D435-W439 PolarHBondContact O-N 2.86Å; R436-W439 PolarHBondContact O-N 2.92Å; L437-W439 VanDerWaalsContact C-N 3.34Å; L437-W439 PolarHBondContact O-N 2.86Å; W439-R441 PolarHBondContact O-N 3.44Å; W439-S442 PolarHBondContact O-N 2.98Å; W439-V443 WeakPolarHBondContact O-CG2 3.34Å; W439-V443 PolarHBondContact O-N 2.95Å; W439-L490 HydrophobicContact CE3-CD2 3.85Å; W439-L490 HydrophobicContact CH2-CD2 4.44Å; W439-L490 HydrophobicContact CZ3-CD2 3.45Å; W439-L490 VanDerWaalsContact CZ3-CD2 3.45Å; W439-L495 HydrophobicContact CD2-CD1 3.52Å; W439-L495 HydrophobicContact CD2-CD2 4.25Å; W439-L495 HydrophobicContact CD2-CG 4.45Å; W439-L495 HydrophobicContact CE3-CD1 3.74Å; W439-L495 HydrophobicContact CG-CD1 3.9Å; W439-L495 HydrophobicContact CG-CD2 4.2Å; W439-L495 HydrophobicContact CH2-CD1 4.34Å; W439-L495 HydrophobicContact CZ2-CB 4.36Å; W439-L495 HydrophobicContact CZ2-CD1 4.17Å; W439-L495 HydrophobicContact CZ2-CD2 4.4Å; W439-L495 HydrophobicContact CZ3-CD1 4.16Å
440S89.8Confident91.2Very high30 Ų3010.5 Ų10.521%0.216%0.055CC..Hα-helixtrans-61.2-44.5178.9-1730000111.6A210 R436 L437 M438 V443 E444A210-S440 WeakPolarHBondContact CB-O 3.21Å; R436-S440 PolarHBondContact O-N 3.38Å; L437-S440 PolarHBondContact O-N 2.92Å; M438-S440 PolarHBondContact O-N 3.39Å; S440-V443 PolarHBondContact O-N 3.11Å; S440-E444 WeakPolarHBondContact O-CB 3.11Å; S440-E444 PolarHBondContact O-N 3.44Å
441R90.4Very high91.3Very high8 Ų812.3 Ų12.33%0.037%0.065CC..Hα-helixtrans-69.7-39-178-68.1-65.1-175.8-169.27.2112.2F232 K233 S234 V276 L408 L437 M438 W439 V443 E444 N445 L499F232-R441 PolarHBondContact O-NH1 2.91Å; F232-R441 PolarHBondContact O-NH2 3.19Å; K233-R441 VanDerWaalsContact C-NH1 3.35Å; S234-R441 VanDerWaalsContact CA-NH1 3.31Å; V276-R441 HydrophobicContact CG1-CG 4.32Å; L408-R441 PolarHBondContact O-NH2 2.96Å; L437-R441 HydrophobicContact CD1-CG 3.94Å; L437-R441 HydrophobicContact CG-CG 4.05Å; L437-R441 WeakPolarHBondContact O-CB 3.48Å; L437-R441 WeakPolarHBondContact O-CG 3.05Å; L437-R441 PolarHBondContact O-N 3.24Å; M438-R441 PolarHBondContact O-N 3.41Å; W439-R441 PolarHBondContact O-N 3.44Å; R441-V443 VanDerWaalsContact C-N 3.32Å; R441-V443 PolarHBondContact O-N 3.12Å; R441-E444 WeakPolarHBondContact CD-OE2 3.42Å; R441-E444 IonicContact CZ-OE2 2.68Å; R441-E444 IonicContact NE-OE2 3.74Å; R441-E444 IonicContact NH1-OE1 3.85Å; R441-E444 IonicContact NH1-OE2 3.24Å; R441-E444 PolarHBondContact NH1-OE2 3.01Å; R441-E444 PolarHBondContact O-N 3.06Å; R441-N445 WeakPolarHBondContact O-CB 3.4Å; R441-N445 PolarHBondContact O-N 3.25Å; R441-N445 PolarHBondContact O-ND2 2.88Å; R441-N445 PolarHBondContact O-OD1 3.29Å; R441-L499 HydrophobicContact CB-CD1 3.89Å
442S93.2Very high91.4Very high0 Ų012.6 Ų12.60%07%0.068CC..Hα-helixtrans-59.5-44.8174.5-67.60000111.3M438 W439 N445 I446 L499M438-S442 WeakPolarHBondContact O-CB 3.32Å; M438-S442 PolarHBondContact O-N 2.78Å; M438-S442 PolarHBondContact O-OG 2.8Å; W439-S442 PolarHBondContact O-N 2.98Å; S442-N445 PolarHBondContact O-N 3.4Å; S442-I446 WeakPolarHBondContact O-CB 3.28Å; S442-I446 WeakPolarHBondContact O-CD1 3.31Å; S442-I446 VanDerWaalsContact O-CG1 3.23Å; S442-I446 WeakPolarHBondContact O-CG1 3.32Å; S442-I446 PolarHBondContact O-N 2.96Å; S442-L499 VanDerWaalsContact OG-CA 3.24Å; S442-L499 WeakPolarHBondContact OG-CA 3.25Å; S442-L499 PolarHBondContact OG-N 2.95Å
443V92.5Very high91.6Very high0 Ų012 Ų120%07%0.065CC..Hα-helixtrans-68.3-46178.3174.60000111.7L59 L61 I207 A210 L211 W439 S440 R441 N445 I446 A447L59-V443 HydrophobicContact CD1-CG1 4.01Å; L59-V443 HydrophobicContact CD1-CG2 4.45Å; L61-V443 HydrophobicContact CD1-CG2 4.42Å; L61-V443 HydrophobicContact CD2-CG2 4.12Å; I207-V443 HydrophobicContact CD1-CG2 4.25Å; I207-V443 HydrophobicContact CG2-CG1 4.05Å; I207-V443 HydrophobicContact CG2-CG2 4.22Å; A210-V443 HydrophobicContact CB-CB 4.37Å; A210-V443 HydrophobicContact CB-CG1 4.26Å; L211-V443 HydrophobicContact CD2-CG1 3.53Å; L211-V443 HydrophobicContact CG-CG1 3.88Å; W439-V443 WeakPolarHBondContact O-CG2 3.34Å; W439-V443 PolarHBondContact O-N 2.95Å; S440-V443 PolarHBondContact O-N 3.11Å; R441-V443 VanDerWaalsContact C-N 3.32Å; R441-V443 PolarHBondContact O-N 3.12Å; V443-N445 VanDerWaalsContact C-N 3.26Å; V443-N445 PolarHBondContact O-N 2.97Å; V443-I446 PolarHBondContact O-N 3.28Å; V443-A447 VanDerWaalsContact O-CB 3.32Å; V443-A447 WeakPolarHBondContact O-CB 3.42Å; V443-A447 PolarHBondContact O-N 3.1Å
444E90.9Very high91.7Very high21 Ų2112.5 Ų12.510%0.0987%0.07CC..Hα-helixtrans-57.1-42.7175-174.8-174.7172.400110.9A210 K233 S234 S440 R441 A447 T448A210-E444 HydrophobicContact CB-CB 4.16Å; A210-E444 WeakPolarHBondContact O-CA 3.44Å; K233-E444 WeakPolarHBondContact CA-OE1 3.37Å; S234-E444 PolarHBondContact N-OE1 3.49Å; S440-E444 WeakPolarHBondContact O-CB 3.11Å; S440-E444 PolarHBondContact O-N 3.44Å; R441-E444 WeakPolarHBondContact CD-OE2 3.42Å; R441-E444 IonicContact CZ-OE2 2.68Å; R441-E444 IonicContact NE-OE2 3.74Å; R441-E444 IonicContact NH1-OE1 3.85Å; R441-E444 IonicContact NH1-OE2 3.24Å; R441-E444 PolarHBondContact NH1-OE2 3.01Å; R441-E444 PolarHBondContact O-N 3.06Å; E444-A447 PolarHBondContact O-N 2.9Å; E444-T448 VanDerWaalsContact O-CB 3.32Å; E444-T448 WeakPolarHBondContact O-CB 3.4Å; E444-T448 PolarHBondContact O-N 3.43Å; E444-T448 PolarHBondContact O-OG1 2.99Å
445N92.6Very high91.7Very high7 Ų714.1 Ų14.14%0.0378%0.082CC..Hα-helixtrans-65.7-49.1-178.4-74.3-8.6000111.8S234 R441 S442 V443 T448 A449 S502 I506S234-N445 WeakPolarHBondContact CB-OD1 3.27Å; S234-N445 PolarHBondContact OG-OD1 2.84Å; R441-N445 WeakPolarHBondContact O-CB 3.4Å; R441-N445 PolarHBondContact O-N 3.25Å; R441-N445 PolarHBondContact O-ND2 2.88Å; R441-N445 PolarHBondContact O-OD1 3.29Å; S442-N445 PolarHBondContact O-N 3.4Å; V443-N445 VanDerWaalsContact C-N 3.26Å; V443-N445 PolarHBondContact O-N 2.97Å; N445-T448 PolarHBondContact O-N 3.3Å; N445-A449 VanDerWaalsContact O-CB 3.31Å; N445-A449 WeakPolarHBondContact O-CB 3.31Å; N445-A449 PolarHBondContact O-N 3.45Å; N445-S502 WeakPolarHBondContact CB-OG 3.37Å; N445-S502 PolarHBondContact ND2-OG 3.18Å; N445-S502 VanDerWaalsContact ND2-OG 3.09Å; N445-I506 VanDerWaalsContact CA-CD1 3.43Å; N445-I506 HydrophobicContact CB-CD1 3.71Å; N445-I506 HydrophobicContact CB-CG1 4.13Å; N445-I506 WeakPolarHBondContact O-CG1 3.46Å; N445-I506 WeakPolarHBondContact OD1-CD1 3.49Å
446I93.6Very high91.6Very high1 Ų114.1 Ų14.11%0.0058%0.082CC..Hα-helixtrans-60.6-48.2178-71.1166.5000110L57 L59 S442 V443 T448 A449 T450 L483 A486 V487 L490L57-I446 HydrophobicContact CD1-CG2 3.78Å; L59-I446 HydrophobicContact CD2-CD1 4.43Å; L59-I446 HydrophobicContact CD2-CG2 4.09Å; S442-I446 WeakPolarHBondContact O-CB 3.28Å; S442-I446 WeakPolarHBondContact O-CD1 3.31Å; S442-I446 VanDerWaalsContact O-CG1 3.23Å; S442-I446 WeakPolarHBondContact O-CG1 3.32Å; S442-I446 PolarHBondContact O-N 2.96Å; V443-I446 PolarHBondContact O-N 3.28Å; I446-T448 PolarHBondContact O-N 3.36Å; I446-A449 PolarHBondContact O-N 3.42Å; I446-T450 VanDerWaalsContact O-CB 3.29Å; I446-T450 WeakPolarHBondContact O-CB 3.43Å; I446-T450 PolarHBondContact O-N 3.45Å; I446-T450 PolarHBondContact O-OG1 2.83Å; I446-L483 HydrophobicContact CB-CD2 4.26Å; I446-L483 HydrophobicContact CG1-CD2 4.25Å; I446-L483 HydrophobicContact CG2-CD2 4.02Å; I446-A486 HydrophobicContact CD1-CB 3.9Å; I446-A486 HydrophobicContact CG1-CB 4.06Å; I446-V487 HydrophobicContact CD1-CG2 4.31Å; I446-V487 HydrophobicContact CG2-CG2 4.33Å; I446-L490 HydrophobicContact CD1-CD1 3.34Å; I446-L490 HydrophobicContact CD1-CG 4.44Å
447A91.1Very high91.5Very high0 Ų013.4 Ų13.40%08%0.084CC..Hα-helixtrans-61.5-43.6-179.100000112.4L57 L211 V443 E444 T451L57-A447 HydrophobicContact CD2-CB 4.46Å; L211-A447 HydrophobicContact CD2-CB 3.59Å; V443-A447 VanDerWaalsContact O-CB 3.32Å; V443-A447 WeakPolarHBondContact O-CB 3.42Å; V443-A447 PolarHBondContact O-N 3.1Å; E444-A447 PolarHBondContact O-N 2.9Å; A447-T451 WeakPolarHBondContact O-CB 3.47Å; A447-T451 PolarHBondContact O-N 2.65Å; A447-T451 PolarHBondContact O-OG1 3.46Å
448T90.8Very high91.4Very high26 Ų2618.4 Ų18.416%0.1611%0.107CC..Hα-helixtrans-64.1-51.5176.4-58.10000111.2E444 N445 I446 T450 T451 T452 I506E444-T448 VanDerWaalsContact O-CB 3.32Å; E444-T448 WeakPolarHBondContact O-CB 3.4Å; E444-T448 PolarHBondContact O-N 3.43Å; E444-T448 PolarHBondContact O-OG1 2.99Å; N445-T448 PolarHBondContact O-N 3.3Å; I446-T448 PolarHBondContact O-N 3.36Å; T448-T450 PolarHBondContact O-N 3.49Å; T448-T451 WeakPolarHBondContact O-CB 3.34Å; T448-T451 PolarHBondContact O-N 3.1Å; T448-T451 VanDerWaalsContact O-N 3.13Å; T448-T452 PolarHBondContact O-N 3.48Å; T448-T452 PolarHBondContact O-OG1 3.4Å; T448-I506 HydrophobicContact CG2-CD1 4.26Å
449A92.9Very high91.1Very high0 Ų021.1 Ų21.10%012%0.121CC..Hα-helixtrans-61.6-42.9179.800000112.6N445 I446 T451 T452 I453 L483 A505 I506N445-A449 VanDerWaalsContact O-CB 3.31Å; N445-A449 WeakPolarHBondContact O-CB 3.31Å; N445-A449 PolarHBondContact O-N 3.45Å; I446-A449 PolarHBondContact O-N 3.42Å; A449-T451 VanDerWaalsContact C-N 3.31Å; A449-T451 PolarHBondContact O-N 3.01Å; A449-T452 PolarHBondContact O-N 2.86Å; A449-I453 VanDerWaalsContact O-CG1 3.32Å; A449-I453 WeakPolarHBondContact O-CG1 3.26Å; A449-I453 PolarHBondContact O-N 2.85Å; A449-L483 HydrophobicContact CB-CD1 4.31Å; A449-L483 HydrophobicContact CB-CD2 3.86Å; A449-L483 HydrophobicContact CB-CG 4.35Å; A449-A505 HydrophobicContact CB-CB 4.15Å; A449-I506 HydrophobicContact CB-CG1 3.84Å
450T93.3Very high90.7Very high2 Ų221.4 Ų21.41%0.01212%0.123CC..Hα-helixtrans-59.1-43.3173.9-65.10000111.3L54 I446 T448 T454L54-T450 HydrophobicContact CB-CG2 4.44Å; L54-T450 WeakPolarHBondContact O-CG2 3.29Å; I446-T450 VanDerWaalsContact O-CB 3.29Å; I446-T450 WeakPolarHBondContact O-CB 3.43Å; I446-T450 PolarHBondContact O-N 3.45Å; I446-T450 PolarHBondContact O-OG1 2.83Å; T448-T450 PolarHBondContact O-N 3.49Å; T450-T454 VanDerWaalsContact O-CB 3.27Å; T450-T454 WeakPolarHBondContact O-CB 2.91Å; T450-T454 PolarHBondContact O-N 2.92Å; T450-T454 PolarHBondContact O-OG1 3.26Å
451T90.8Very high90.3Very high44 Ų4426.1 Ų26.127%0.2715%0.145SC..Hα-helixtrans-64.9-47.9178.7-56.60000110.4A447 T448 A449 I453 T454 S455A447-T451 WeakPolarHBondContact O-CB 3.47Å; A447-T451 PolarHBondContact O-N 2.65Å; A447-T451 PolarHBondContact O-OG1 3.46Å; T448-T451 WeakPolarHBondContact O-CB 3.34Å; T448-T451 PolarHBondContact O-N 3.1Å; T448-T451 VanDerWaalsContact O-N 3.13Å; A449-T451 VanDerWaalsContact C-N 3.31Å; A449-T451 PolarHBondContact O-N 3.01Å; T451-I453 PolarHBondContact O-N 2.86Å; T451-T454 PolarHBondContact O-N 2.85Å; T451-S455 WeakPolarHBondContact O-CB 3.31Å; T451-S455 PolarHBondContact O-N 3.32Å; T451-S455 PolarHBondContact O-OG 2.94Å; T451-S455 VanDerWaalsContact O-OG 3.11Å
452T91.9Very high89.9Confident25 Ų2533.5 Ų33.515%0.15318%0.181CC..Hα-helixtrans-58-47.3178.1-59.10000112.4T448 A449 S455 L456 F513T448-T452 PolarHBondContact O-N 3.48Å; T448-T452 PolarHBondContact O-OG1 3.4Å; A449-T452 PolarHBondContact O-N 2.86Å; T452-S455 PolarHBondContact O-N 3.43Å; T452-L456 WeakPolarHBondContact O-CB 3.48Å; T452-L456 PolarHBondContact O-N 2.93Å; T452-F513 HydrophobicContact CG2-CB 3.72Å; T452-F513 HydrophobicContact CG2-CD2 4.08Å; T452-F513 HydrophobicContact CG2-CG 3.95Å
453I93.1Very high89.2Confident4 Ų436.4 Ų36.42%0.02120%0.195CC..Hα-helixtrans-69.2-37.2179.1-62.5170.8000111.2I51 A449 T451 L456 A457 V476 A479 V480 L483I51-I453 HydrophobicContact CB-CG2 4.41Å; I51-I453 HydrophobicContact CD1-CG2 3.59Å; I51-I453 HydrophobicContact CG1-CG2 3.61Å; I51-I453 HydrophobicContact CG2-CG2 3.92Å; A449-I453 VanDerWaalsContact O-CG1 3.32Å; A449-I453 WeakPolarHBondContact O-CG1 3.26Å; A449-I453 PolarHBondContact O-N 2.85Å; T451-I453 PolarHBondContact O-N 2.86Å; I453-L456 WeakPolarHBondContact O-CB 3.45Å; I453-L456 PolarHBondContact O-N 3.43Å; I453-A457 WeakPolarHBondContact O-CB 3.3Å; I453-A457 PolarHBondContact O-N 2.92Å; I453-V476 HydrophobicContact CG2-CG1 4.35Å; I453-A479 HydrophobicContact CD1-CB 3.44Å; I453-A479 VanDerWaalsContact CD1-CB 3.44Å; I453-A479 HydrophobicContact CG1-CB 4.29Å; I453-V480 HydrophobicContact CD1-CG2 4.23Å; I453-V480 HydrophobicContact CG2-CG2 4.28Å; I453-L483 HydrophobicContact CD1-CD1 3.6Å
454T91.7Very high88.1Confident27 Ų2738.3 Ų38.317%0.16622%0.215CC..Hα-helixtrans-64.8-44.4176.3-57.50000110.6A55 T450 T451 A457 Q458A55-T454 HydrophobicContact CB-CG2 4.22Å; T450-T454 VanDerWaalsContact O-CB 3.27Å; T450-T454 WeakPolarHBondContact O-CB 2.91Å; T450-T454 PolarHBondContact O-N 2.92Å; T450-T454 PolarHBondContact O-OG1 3.26Å; T451-T454 PolarHBondContact O-N 2.85Å; T454-A457 PolarHBondContact O-N 3.34Å; T454-Q458 VanDerWaalsContact O-CG 3.31Å; T454-Q458 WeakPolarHBondContact O-CG 3.48Å; T454-Q458 PolarHBondContact O-N 2.93Å
455S91Very high87.1Confident49 Ų4939.6 Ų39.634%0.34322%0.223SC..Hα-helixtrans-63.4-39.5174.4-64.30000112.2T451 T452 Q458 L459T451-S455 WeakPolarHBondContact O-CB 3.31Å; T451-S455 PolarHBondContact O-N 3.32Å; T451-S455 PolarHBondContact O-OG 2.94Å; T451-S455 VanDerWaalsContact O-OG 3.11Å; T452-S455 PolarHBondContact O-N 3.43Å; S455-Q458 PolarHBondContact O-N 2.87Å; S455-L459 WeakPolarHBondContact O-CB 3.35Å; S455-L459 PolarHBondContact O-N 3.44Å
456L90.1Very high86.4Confident4 Ų439.4 Ų39.42%0.02122%0.222CC..Hα-helixtrans-60.3-49.4173.5-175.758000111.1T452 I453 Q458 L459 L460 V476 A512 F513 L518T452-L456 WeakPolarHBondContact O-CB 3.48Å; T452-L456 PolarHBondContact O-N 2.93Å; I453-L456 WeakPolarHBondContact O-CB 3.45Å; I453-L456 PolarHBondContact O-N 3.43Å; L456-Q458 VanDerWaalsContact C-N 3.32Å; L456-Q458 PolarHBondContact O-N 3Å; L456-L459 PolarHBondContact O-N 3.1Å; L456-L460 HydrophobicContact CD1-CD1 4.06Å; L456-L460 HydrophobicContact CD1-CG 4.17Å; L456-L460 HydrophobicContact CG-CD1 3.95Å; L456-L460 HydrophobicContact CG-CG 4.43Å; L456-L460 WeakPolarHBondContact O-CB 3.44Å; L456-L460 VanDerWaalsContact O-CG 3.27Å; L456-L460 WeakPolarHBondContact O-CG 3.47Å; L456-L460 PolarHBondContact O-N 2.81Å; L456-V476 HydrophobicContact CD2-CG2 3.64Å; L456-A512 HydrophobicContact CD2-CB 3.98Å; L456-F513 HydrophobicContact CB-CD2 4.04Å; L456-F513 HydrophobicContact CD1-CD2 4.2Å; L456-L518 HydrophobicContact CD1-CD1 3.82Å
457A88.4Confident85.5Confident20 Ų2040.8 Ų40.817%0.16523%0.23CC..Hα-helixtrans-60.9-41179.400000111.9I51 I453 T454 D461I51-A457 HydrophobicContact CD1-CB 4.22Å; I51-A457 HydrophobicContact CG2-CB 4.05Å; I453-A457 WeakPolarHBondContact O-CB 3.3Å; I453-A457 PolarHBondContact O-N 2.92Å; T454-A457 PolarHBondContact O-N 3.34Å; A457-D461 WeakPolarHBondContact O-CB 3.39Å; A457-D461 PolarHBondContact O-N 3.09Å
458Q87.1Confident85.1Confident112 Ų11241.1 Ų41.152%0.52323%0.232SC..Hα-helixtrans-63.7-43174.8-73.1173.6-3.800112.2T454 S455 L456 D461 Q462T454-Q458 VanDerWaalsContact O-CG 3.31Å; T454-Q458 WeakPolarHBondContact O-CG 3.48Å; T454-Q458 PolarHBondContact O-N 2.93Å; S455-Q458 PolarHBondContact O-N 2.87Å; L456-Q458 VanDerWaalsContact C-N 3.32Å; L456-Q458 PolarHBondContact O-N 3Å; Q458-D461 PolarHBondContact O-N 2.84Å; Q458-Q462 WeakPolarHBondContact O-CB 3.26Å; Q458-Q462 WeakPolarHBondContact O-CG 3.32Å; Q458-Q462 PolarHBondContact O-N 2.92Å
459L85.8Confident84.9Confident62 Ų6242.9 Ų42.933%0.32524%0.24SC..Hα-helixtrans-63.3-44.4178.4-172.5160.2000111.1S455 L456 D461 Q462 I463 I466S455-L459 WeakPolarHBondContact O-CB 3.35Å; S455-L459 PolarHBondContact O-N 3.44Å; L456-L459 PolarHBondContact O-N 3.1Å; L459-D461 VanDerWaalsContact C-N 3.31Å; L459-D461 PolarHBondContact O-N 3.09Å; L459-Q462 PolarHBondContact O-N 3.2Å; L459-I463 HydrophobicContact CD2-CD1 4.08Å; L459-I463 HydrophobicContact CG-CD1 4.32Å; L459-I463 PolarHBondContact O-N 3.16Å; L459-I466 HydrophobicContact CD2-CD1 3.33Å
460L83.2Confident84.7Confident7 Ų747.7 Ų47.74%0.03727%0.266CS..Hα-helixtrans-68.7-28.7179.5-67.1176.8000113.5R43 L46 L456 I466 I468 L518R43-L460 PolarHBondContact NH1-O 3.26Å; R43-L460 VanDerWaalsContact NH1-O 3.11Å; L46-L460 HydrophobicContact CD1-CD1 3.52Å; L456-L460 HydrophobicContact CD1-CD1 4.06Å; L456-L460 HydrophobicContact CD1-CG 4.17Å; L456-L460 HydrophobicContact CG-CD1 3.95Å; L456-L460 HydrophobicContact CG-CG 4.43Å; L456-L460 WeakPolarHBondContact O-CB 3.44Å; L456-L460 VanDerWaalsContact O-CG 3.27Å; L456-L460 WeakPolarHBondContact O-CG 3.47Å; L456-L460 PolarHBondContact O-N 2.81Å; L460-I466 HydrophobicContact CD2-CB 4.06Å; L460-I466 HydrophobicContact CD2-CD1 4.13Å; L460-I466 HydrophobicContact CD2-CG2 3.67Å; L460-I468 HydrophobicContact CD1-CD1 4.11Å; L460-I468 HydrophobicContact CD1-CG1 4.28Å; L460-I468 HydrophobicContact CD2-CD1 4.36Å; L460-I468 HydrophobicContact CD2-CG1 4.07Å; L460-L518 HydrophobicContact CD2-CD2 4.01Å
461D82.3Confident84.5Confident129 Ų12951 Ų5169%0.6928%0.283SS*.Hα-helixtrans-74.9-43.8173.5-166.954.7000111.4A457 Q458 L459A457-D461 WeakPolarHBondContact O-CB 3.39Å; A457-D461 PolarHBondContact O-N 3.09Å; Q458-D461 PolarHBondContact O-N 2.84Å; L459-D461 VanDerWaalsContact C-N 3.31Å; L459-D461 PolarHBondContact O-N 3.09Å
462Q82.3Confident84.4Confident164 Ų16448.9 Ų48.977%0.76627%0.271SS*.Hα-helixtrans-67.3-38.6177.8-74.4-179.2-2.800112.7Q458 L459Q458-Q462 WeakPolarHBondContact O-CB 3.26Å; Q458-Q462 WeakPolarHBondContact O-CG 3.32Å; Q458-Q462 PolarHBondContact O-N 2.92Å; L459-Q462 PolarHBondContact O-N 3.2Å
463I77.7Confident84.3Confident60 Ų6048.3 Ų48.331%0.30827%0.269SS..  trans-106.580-177.6-47178.7000108.8R43 L459 N465 I466 L522R43-I463 PolarHBondContact NH2-O 3.25Å; L459-I463 HydrophobicContact CD2-CD1 4.08Å; L459-I463 HydrophobicContact CG-CD1 4.32Å; L459-I463 PolarHBondContact O-N 3.16Å; I463-N465 PolarHBondContact O-N 2.92Å; I463-I466 HydrophobicContact CB-CD1 3.67Å; I463-I466 HydrophobicContact CB-CG1 3.98Å; I463-I466 HydrophobicContact CD1-CD1 4.13Å; I463-I466 HydrophobicContact CG1-CD1 4.42Å; I463-I466 HydrophobicContact CG2-CD1 3.83Å; I463-I466 HydrophobicContact CG2-CG1 3.66Å; I463-I466 PolarHBondContact O-N 3.26Å; I463-L522 HydrophobicContact CD1-CD2 3.94Å; I463-L522 HydrophobicContact CG2-CD2 4.33Å
464G69.2Low84.3Confident41 Ų4154 Ų5442%0.42330%0.295SS..THydrogen-bonded Turntrans-58.9-6.6-179.500000116.6R43R43-G464 PolarHBondContact NE-O 2.81Å; R43-G464 VanDerWaalsContact NE-O 3.1Å; R43-G464 VanDerWaalsContact NH2-CA 3.25Å; R43-G464 PolarHBondContact NH2-O 2.79Å
465N70.6Confident84.4Confident48 Ų4854.1 Ų54.126%0.25729%0.294SS..THydrogen-bonded Turntrans-102.6-3.6-179.8-72.3-41.9000114.8I463 V467 D526 K529I463-N465 PolarHBondContact O-N 2.92Å; N465-V467 PolarHBondContact O-N 2.75Å; N465-D526 PolarHBondContact ND2-OD1 3.14Å; N465-D526 VanDerWaalsContact ND2-OD1 3.14Å; N465-D526 PolarHBondContact ND2-OD2 2.87Å; N465-D526 PolarHBondContact OD1-OD1 2.91Å; N465-K529 PolarHBondContact OD1-NZ 3.1Å
466I77.1Confident84.6Confident2 Ų251.9 Ų51.91%0.0128%0.278CS..  trans-69.5128.8175.1-63.9173.3000109.4R43 L459 L460 I463 L518R43-I466 PolarHBondContact NE-O 3.32Å; R43-I466 VanDerWaalsContact NH2-N 3.14Å; R43-I466 PolarHBondContact NH2-O 3.48Å; L459-I466 HydrophobicContact CD2-CD1 3.33Å; L460-I466 HydrophobicContact CD2-CB 4.06Å; L460-I466 HydrophobicContact CD2-CD1 4.13Å; L460-I466 HydrophobicContact CD2-CG2 3.67Å; I463-I466 HydrophobicContact CB-CD1 3.67Å; I463-I466 HydrophobicContact CB-CG1 3.98Å; I463-I466 HydrophobicContact CD1-CD1 4.13Å; I463-I466 HydrophobicContact CG1-CD1 4.42Å; I463-I466 HydrophobicContact CG2-CD1 3.83Å; I463-I466 HydrophobicContact CG2-CG1 3.66Å; I463-I466 PolarHBondContact O-N 3.26Å; I466-L518 HydrophobicContact CG2-CD2 3.68Å
467V76Confident84.8Confident30 Ų3053.8 Ų53.818%0.18229%0.292CS..  trans-77.5125.8171.4173.90000108.4N465 L521N465-V467 PolarHBondContact O-N 2.75Å; V467-L521 HydrophobicContact CB-CD1 3.63Å; V467-L521 HydrophobicContact CG1-CD1 4.43Å; V467-L521 HydrophobicContact CG2-CD1 3.6Å
468I82.9Confident85.1Confident7 Ų755.3 Ų55.34%0.03630%0.301CS..BIsolated β-bridgetrans-102.2107.4177.1-57162.6000107R43 A44 L46 L460 I472R43-I468 HydrophobicContact CB-CD1 4.28Å; R43-I468 HydrophobicContact CG-CD1 4.24Å; A44-I468 HydrophobicContact CB-CG2 4.13Å; A44-I468 WeakPolarHBondContact CB-O 3.49Å; A44-I468 PolarHBondContact N-O 2.84Å; L46-I468 HydrophobicContact CD1-CD1 3.77Å; L46-I468 HydrophobicContact CD1-CG2 4.44Å; L46-I468 HydrophobicContact CD2-CG2 4.2Å; L46-I468 HydrophobicContact CG-CD1 4.4Å; L46-I468 HydrophobicContact CG-CG2 4.39Å; L460-I468 HydrophobicContact CD1-CD1 4.11Å; L460-I468 HydrophobicContact CD1-CG1 4.28Å; L460-I468 HydrophobicContact CD2-CD1 4.36Å; L460-I468 HydrophobicContact CD2-CG1 4.07Å; I468-I472 HydrophobicContact CG2-CG2 4.42Å
469N85.6Confident85.6Confident63 Ų6350 Ų5034%0.33728%0.276SS..  trans-73.4153.5177.1-66.4-34.9000111.1N471 I472 A473 S517N469-N471 PolarHBondContact O-N 3.19Å; N469-I472 HydrophobicContact CB-CD1 4.29Å; N469-I472 PolarHBondContact O-N 3.31Å; N469-A473 PolarHBondContact O-N 2.99Å; N469-S517 WeakPolarHBondContact ND2-CB 3.34Å; N469-S517 PolarHBondContact ND2-OG 3.32Å
470D88.2Confident86.1Confident102 Ų10247 Ų4755%0.54526%0.261SS..Hα-helixtrans-59.7-35.7179.4-60.1-27.1000112.1Y42 A44 I472 A473 E474Y42-D470 PolarHBondContact OH-OD1 3.36Å; A44-D470 WeakPolarHBondContact CB-OD1 3.36Å; D470-I472 PolarHBondContact O-N 2.89Å; D470-A473 PolarHBondContact O-N 3.25Å; D470-E474 WeakPolarHBondContact O-CB 3.4Å; D470-E474 PolarHBondContact O-N 3.21Å
471N89.5Confident86.7Confident70 Ų7050 Ų5037%0.37428%0.279SS..Hα-helixtrans-61.1-41.5174177.750.6000112N469 E474 Q475N469-N471 PolarHBondContact O-N 3.19Å; N471-E474 PolarHBondContact O-N 2.98Å; N471-Q475 WeakPolarHBondContact O-CG 3.43Å; N471-Q475 PolarHBondContact O-N 2.9Å
472I89.5Confident87.4Confident1 Ų144.2 Ų44.21%0.00525%0.249CC..Hα-helixtrans-67-43.3177.2-65.9163.5000109.6I468 N469 D470 E474 Q475 V476 D515 S517 L518I468-I472 HydrophobicContact CG2-CG2 4.42Å; N469-I472 HydrophobicContact CB-CD1 4.29Å; N469-I472 PolarHBondContact O-N 3.31Å; D470-I472 PolarHBondContact O-N 2.89Å; I472-E474 VanDerWaalsContact C-N 3.27Å; I472-E474 PolarHBondContact O-N 3.38Å; I472-Q475 PolarHBondContact O-N 2.79Å; I472-V476 HydrophobicContact CG2-CG2 4.26Å; I472-V476 VanDerWaalsContact O-CG2 3.32Å; I472-V476 WeakPolarHBondContact O-CG2 3.21Å; I472-V476 PolarHBondContact O-N 3.13Å; I472-D515 HydrophobicContact CD1-CB 4.22Å; I472-D515 HydrophobicContact CG1-CB 4.12Å; I472-S517 VanDerWaalsContact CD1-OG 3.24Å; I472-S517 WeakPolarHBondContact CD1-OG 3.26Å; I472-L518 HydrophobicContact CD1-CD2 3.72Å; I472-L518 HydrophobicContact CD1-CG 3.82Å
473A89.6Confident88.1Confident13 Ų1336.5 Ų36.511%0.10721%0.213CC..Hα-helixtrans-60.1-38.5176.500000112.2A44 L46 N469 D470 V476 S477A44-A473 HydrophobicContact CB-CB 3.66Å; L46-A473 HydrophobicContact CD2-CB 4.07Å; N469-A473 PolarHBondContact O-N 2.99Å; D470-A473 PolarHBondContact O-N 3.25Å; A473-V476 PolarHBondContact O-N 3.25Å; A473-S477 WeakPolarHBondContact O-CB 3.44Å; A473-S477 PolarHBondContact O-N 2.79Å; A473-S477 PolarHBondContact O-OG 3.48Å
474E93Very high88.9Confident123 Ų12337.2 Ų37.258%0.57522%0.215SC*.Hα-helixtrans-66.2-43.1173.4-171.2-177.7178.600112.4D470 N471 I472 V476 S477 S478D470-E474 WeakPolarHBondContact O-CB 3.4Å; D470-E474 PolarHBondContact O-N 3.21Å; N471-E474 PolarHBondContact O-N 2.98Å; I472-E474 VanDerWaalsContact C-N 3.27Å; I472-E474 PolarHBondContact O-N 3.38Å; E474-V476 VanDerWaalsContact C-N 3.34Å; E474-V476 PolarHBondContact O-N 3.18Å; E474-S477 WeakPolarHBondContact CA-OG 3.31Å; E474-S477 PolarHBondContact O-N 3.21Å; E474-S477 PolarHBondContact O-OG 3.48Å; E474-S478 WeakPolarHBondContact O-CB 3.43Å; E474-S478 PolarHBondContact O-N 2.81Å
475Q93.8Very high90.2Very high30 Ų3038.6 Ų38.614%0.1421%0.212CC..Hα-helixtrans-63.8-40.6175.2-64.9-51.3-44.400111.5N471 I472 A479 K511 A512N471-Q475 WeakPolarHBondContact O-CG 3.43Å; N471-Q475 PolarHBondContact O-N 2.9Å; I472-Q475 PolarHBondContact O-N 2.79Å; Q475-A479 VanDerWaalsContact O-CB 3.3Å; Q475-A479 WeakPolarHBondContact O-CB 3.29Å; Q475-A479 PolarHBondContact O-N 3.02Å; Q475-K511 HydrophobicContact CG-CD 4.27Å; Q475-K511 HydrophobicContact CG-CG 4.44Å; Q475-A512 HydrophobicContact CB-CB 3.85Å
476V94.2Very high91.5Very high2 Ų236.3 Ų36.31%0.01220%0.2CC..Hα-helixtrans-65.9-44176.6174.50000111.2L46 P47 I51 I453 L456 I472 A473 E474 A479 V480 A512L46-V476 HydrophobicContact CD2-CB 4.07Å; L46-V476 HydrophobicContact CD2-CG1 4.11Å; L46-V476 HydrophobicContact CD2-CG2 4.25Å; P47-V476 HydrophobicContact CG-CG1 4.31Å; I51-V476 HydrophobicContact CD1-CG1 4.02Å; I453-V476 HydrophobicContact CG2-CG1 4.35Å; L456-V476 HydrophobicContact CD2-CG2 3.64Å; I472-V476 HydrophobicContact CG2-CG2 4.26Å; I472-V476 VanDerWaalsContact O-CG2 3.32Å; I472-V476 WeakPolarHBondContact O-CG2 3.21Å; I472-V476 PolarHBondContact O-N 3.13Å; A473-V476 PolarHBondContact O-N 3.25Å; E474-V476 VanDerWaalsContact C-N 3.34Å; E474-V476 PolarHBondContact O-N 3.18Å; V476-A479 PolarHBondContact O-N 3.26Å; V476-V480 WeakPolarHBondContact O-CG2 3.48Å; V476-V480 PolarHBondContact O-N 3.14Å; V476-A512 HydrophobicContact CG2-CB 3.88Å
477S94.6Very high92.4Very high44 Ų4437.2 Ų37.231%0.30821%0.206SC..Hα-helixtrans-66.7-39.2178.368.60000112.1A473 E474 V480 T481A473-S477 WeakPolarHBondContact O-CB 3.44Å; A473-S477 PolarHBondContact O-N 2.79Å; A473-S477 PolarHBondContact O-OG 3.48Å; E474-S477 WeakPolarHBondContact CA-OG 3.31Å; E474-S477 PolarHBondContact O-N 3.21Å; E474-S477 PolarHBondContact O-OG 3.48Å; S477-V480 PolarHBondContact O-N 2.79Å; S477-T481 WeakPolarHBondContact O-CB 3.27Å; S477-T481 PolarHBondContact O-N 3.4Å; S477-T481 PolarHBondContact O-OG1 3.37Å
478S95.8Very high93.3Very high52 Ų5238 Ų3836%0.36422%0.215SC..Hα-helixtrans-61.5-44.1172.8-177.90000111.6E474 T481 S482E474-S478 WeakPolarHBondContact O-CB 3.43Å; E474-S478 PolarHBondContact O-N 2.81Å; S478-T481 PolarHBondContact O-N 2.98Å; S478-S482 VanDerWaalsContact O-CB 3.3Å; S478-S482 WeakPolarHBondContact O-CB 3.42Å; S478-S482 PolarHBondContact O-N 2.95Å; S478-S482 PolarHBondContact O-OG 2.88Å
479A96.3Very high93.9Very high0 Ų039.8 Ų39.80%022%0.223CC..Hα-helixtrans-64.3-43.6178.200000112I453 Q475 V476 S482 L483 A508I453-A479 HydrophobicContact CD1-CB 3.44Å; I453-A479 VanDerWaalsContact CD1-CB 3.44Å; I453-A479 HydrophobicContact CG1-CB 4.29Å; Q475-A479 VanDerWaalsContact O-CB 3.3Å; Q475-A479 WeakPolarHBondContact O-CB 3.29Å; Q475-A479 PolarHBondContact O-N 3.02Å; V476-A479 PolarHBondContact O-N 3.26Å; A479-S482 PolarHBondContact O-N 2.97Å; A479-L483 WeakPolarHBondContact O-CB 3.5Å; A479-L483 VanDerWaalsContact O-CG 3.31Å; A479-L483 WeakPolarHBondContact O-CG 3.48Å; A479-L483 PolarHBondContact O-N 3.41Å; A479-A508 HydrophobicContact CB-CB 3.69Å
480V96.1Very high94.2Very high0 Ų036.9 Ų36.90%021%0.208CC..Hα-helixtrans-63.7-44175.9169.70000111.7P47 Q50 I51 L54 I453 V476 S477 L483 Q484P47-V480 HydrophobicContact CG-CG2 4.15Å; Q50-V480 HydrophobicContact CB-CG1 3.81Å; Q50-V480 VanDerWaalsContact OE1-CG1 3.26Å; I51-V480 HydrophobicContact CD1-CG2 4.45Å; I51-V480 HydrophobicContact CG1-CG2 3.77Å; L54-V480 HydrophobicContact CD1-CB 4.41Å; L54-V480 HydrophobicContact CD1-CG1 3.87Å; L54-V480 HydrophobicContact CD1-CG2 4.36Å; I453-V480 HydrophobicContact CD1-CG2 4.23Å; I453-V480 HydrophobicContact CG2-CG2 4.28Å; V476-V480 WeakPolarHBondContact O-CG2 3.48Å; V476-V480 PolarHBondContact O-N 3.14Å; S477-V480 PolarHBondContact O-N 2.79Å; V480-L483 WeakPolarHBondContact O-CB 3.28Å; V480-L483 PolarHBondContact O-N 2.98Å; V480-Q484 WeakPolarHBondContact O-CG 3.47Å; V480-Q484 PolarHBondContact O-N 2.92Å
481T96.6Very high94.5Very high69 Ų6936.1 Ų36.142%0.42320%0.201SC..Hα-helixtrans-63.1-46.4177.8-54.70000110.7S477 S478 L483 Q484 L485S477-T481 WeakPolarHBondContact O-CB 3.27Å; S477-T481 PolarHBondContact O-N 3.4Å; S477-T481 PolarHBondContact O-OG1 3.37Å; S478-T481 PolarHBondContact O-N 2.98Å; T481-L483 VanDerWaalsContact C-N 3.31Å; T481-L483 PolarHBondContact O-N 3.46Å; T481-Q484 PolarHBondContact O-N 3.29Å; T481-L485 HydrophobicContact CG2-CD1 4.24Å; T481-L485 WeakPolarHBondContact O-CG 3.41Å; T481-L485 PolarHBondContact O-N 2.84Å
482S96.9Very high94.6Very high8 Ų835.7 Ų35.76%0.05621%0.207CC..Hα-helixtrans-63.7-36.7178.6-56.60000111.8S478 A479 A486S478-S482 VanDerWaalsContact O-CB 3.3Å; S478-S482 WeakPolarHBondContact O-CB 3.42Å; S478-S482 PolarHBondContact O-N 2.95Å; S478-S482 PolarHBondContact O-OG 2.88Å; A479-S482 PolarHBondContact O-N 2.97Å; S482-A486 VanDerWaalsContact O-CB 3.3Å; S482-A486 WeakPolarHBondContact O-CB 3.28Å; S482-A486 PolarHBondContact O-N 3.38Å
483L96.1Very high94.5Very high1 Ų136.3 Ų36.31%0.00521%0.213CC..Hα-helixtrans-62-48172.5-81.7172.2000112.1L54 I446 A449 I453 A479 V480 T481 L485 A486 V487 A505L54-L483 HydrophobicContact CD1-CB 4.13Å; L54-L483 HydrophobicContact CD1-CD1 4.06Å; I446-L483 HydrophobicContact CB-CD2 4.26Å; I446-L483 HydrophobicContact CG1-CD2 4.25Å; I446-L483 HydrophobicContact CG2-CD2 4.02Å; A449-L483 HydrophobicContact CB-CD1 4.31Å; A449-L483 HydrophobicContact CB-CD2 3.86Å; A449-L483 HydrophobicContact CB-CG 4.35Å; I453-L483 HydrophobicContact CD1-CD1 3.6Å; A479-L483 WeakPolarHBondContact O-CB 3.5Å; A479-L483 VanDerWaalsContact O-CG 3.31Å; A479-L483 WeakPolarHBondContact O-CG 3.48Å; A479-L483 PolarHBondContact O-N 3.41Å; V480-L483 WeakPolarHBondContact O-CB 3.28Å; V480-L483 PolarHBondContact O-N 2.98Å; T481-L483 VanDerWaalsContact C-N 3.31Å; T481-L483 PolarHBondContact O-N 3.46Å; L483-L485 VanDerWaalsContact C-N 3.33Å; L483-L485 PolarHBondContact O-N 3.48Å; L483-A486 PolarHBondContact O-N 2.95Å; L483-V487 WeakPolarHBondContact O-CG2 3.43Å; L483-V487 PolarHBondContact O-N 3.38Å; L483-A505 HydrophobicContact CD2-CB 3.87Å; L483-A505 HydrophobicContact CG-CB 3.75Å
484Q95.8Very high94.7Very high76 Ų7639.4 Ų39.436%0.35523%0.228SC..Hα-helixtrans-61.4-43.2178.9-72.3175-16.600111.5L54 V480 T481 V487 A488L54-Q484 HydrophobicContact CD2-CG 4.27Å; V480-Q484 WeakPolarHBondContact O-CG 3.47Å; V480-Q484 PolarHBondContact O-N 2.92Å; T481-Q484 PolarHBondContact O-N 3.29Å; Q484-V487 PolarHBondContact O-N 2.91Å; Q484-A488 WeakPolarHBondContact O-CB 3.04Å; Q484-A488 PolarHBondContact O-N 3.25Å
485L96.7Very high94.7Very high70 Ų7033.5 Ų33.537%0.36620%0.201SC..Hα-helixtrans-62.9-44.1174.5-68.1174.5000111.6T481 L483 V487 A488 E489 F501T481-L485 HydrophobicContact CG2-CD1 4.24Å; T481-L485 WeakPolarHBondContact O-CG 3.41Å; T481-L485 PolarHBondContact O-N 2.84Å; L483-L485 VanDerWaalsContact C-N 3.33Å; L483-L485 PolarHBondContact O-N 3.48Å; L485-V487 VanDerWaalsContact C-N 3.33Å; L485-V487 PolarHBondContact O-N 3.48Å; L485-A488 PolarHBondContact O-N 3.15Å; L485-E489 WeakPolarHBondContact O-CG 3.45Å; L485-E489 PolarHBondContact O-N 3.13Å; L485-F501 HydrophobicContact CB-CB 4.33Å; L485-F501 HydrophobicContact CB-CD1 4.29Å; L485-F501 HydrophobicContact CB-CD2 3.88Å; L485-F501 HydrophobicContact CB-CE2 4.22Å; L485-F501 HydrophobicContact CB-CG 3.93Å; L485-F501 HydrophobicContact CD1-CD1 4.19Å; L485-F501 HydrophobicContact CD1-CE1 3.96Å; L485-F501 HydrophobicContact CD1-CZ 4.19Å
486A96.7Very high94.7Very high0 Ų037.9 Ų37.90%022%0.219CC..Hα-helixtrans-60.1-42.2177.900000112.3I446 S482 L483 L490 F501I446-A486 HydrophobicContact CD1-CB 3.9Å; I446-A486 HydrophobicContact CG1-CB 4.06Å; S482-A486 VanDerWaalsContact O-CB 3.3Å; S482-A486 WeakPolarHBondContact O-CB 3.28Å; S482-A486 PolarHBondContact O-N 3.38Å; L483-A486 PolarHBondContact O-N 2.95Å; A486-L490 WeakPolarHBondContact O-CG 3.17Å; A486-L490 PolarHBondContact O-N 2.67Å; A486-F501 HydrophobicContact CB-CB 3.83Å
487V95.5Very high94.7Very high21 Ų2142.7 Ų42.713%0.12724%0.24CC..Hα-helixtrans-65.4-45.2176.3175.10000111.2L59 I446 L483 Q484 L485 E489 L490 E491L59-V487 HydrophobicContact CD2-CG1 4.4Å; L59-V487 HydrophobicContact CD2-CG2 3.81Å; I446-V487 HydrophobicContact CD1-CG2 4.31Å; I446-V487 HydrophobicContact CG2-CG2 4.33Å; L483-V487 WeakPolarHBondContact O-CG2 3.43Å; L483-V487 PolarHBondContact O-N 3.38Å; Q484-V487 PolarHBondContact O-N 2.91Å; L485-V487 VanDerWaalsContact C-N 3.33Å; L485-V487 PolarHBondContact O-N 3.48Å; V487-E489 VanDerWaalsContact C-N 3.34Å; V487-E489 PolarHBondContact O-N 2.93Å; V487-L490 PolarHBondContact O-N 3.05Å; V487-E491 PolarHBondContact O-N 3.16Å
488A95.6Very high94.7Very high46 Ų4640.6 Ų40.638%0.3823%0.225SC..Hα-helixtrans-62.7-38.317800000112.7Q484 L485 E491 A492Q484-A488 WeakPolarHBondContact O-CB 3.04Å; Q484-A488 PolarHBondContact O-N 3.25Å; L485-A488 PolarHBondContact O-N 3.15Å; A488-E491 WeakPolarHBondContact O-CB 3.39Å; A488-E491 PolarHBondContact O-N 3.01Å; A488-A492 WeakPolarHBondContact O-CB 3.31Å; A488-A492 PolarHBondContact O-N 3.23Å
489E95.1Very high94.6Very high45 Ų4538.4 Ų38.421%0.2121%0.21CC..Hα-helixtrans-72.4-32176.8-66.3-60.9152.600112.5L485 V487 E491 A492 G493 N494 F497 A498 F501L485-E489 WeakPolarHBondContact O-CG 3.45Å; L485-E489 PolarHBondContact O-N 3.13Å; V487-E489 VanDerWaalsContact C-N 3.34Å; V487-E489 PolarHBondContact O-N 2.93Å; E489-E491 VanDerWaalsContact C-N 3.34Å; E489-A492 PolarHBondContact O-N 3.42Å; E489-G493 PolarHBondContact O-N 2.99Å; E489-G493 VanDerWaalsContact O-N 3.08Å; E489-N494 HydrophobicContact CB-CB 4.3Å; E489-N494 PolarHBondContact O-N 2.83Å; E489-N494 WeakPolarHBondContact OE2-CB 3.22Å; E489-N494 PolarHBondContact OE2-ND2 3.02Å; E489-F497 HydrophobicContact CB-CB 4.3Å; E489-F497 HydrophobicContact CG-CB 3.92Å; E489-A498 HydrophobicContact CB-CB 4Å; E489-F501 HydrophobicContact CG-CD2 3.99Å; E489-F501 HydrophobicContact CG-CE2 4.05Å
490L93.6Very high94.6Very high1 Ų142.7 Ų42.71%0.00523%0.23CC..Hα-helixtrans-65-40170.2-73.3173.9000111.6Q60 S62 W439 I446 A486 V487 A492 G493 A498Q60-L490 CarbonylContact O-C 3.56Å; S62-L490 PolarHBondContact N-O 2.9Å; S62-L490 VanDerWaalsContact N-O 3.13Å; W439-L490 HydrophobicContact CE3-CD2 3.85Å; W439-L490 HydrophobicContact CH2-CD2 4.44Å; W439-L490 HydrophobicContact CZ3-CD2 3.45Å; W439-L490 VanDerWaalsContact CZ3-CD2 3.45Å; I446-L490 HydrophobicContact CD1-CD1 3.34Å; I446-L490 HydrophobicContact CD1-CG 4.44Å; A486-L490 WeakPolarHBondContact O-CG 3.17Å; A486-L490 PolarHBondContact O-N 2.67Å; V487-L490 PolarHBondContact O-N 3.05Å; L490-A492 VanDerWaalsContact C-N 3.33Å; L490-G493 PolarHBondContact O-N 2.92Å; L490-A498 HydrophobicContact CD2-CB 3.53Å; L490-A498 HydrophobicContact CG-CB 3.66Å
491E93Very high94.6Very high87 Ų8744.6 Ų44.641%0.40724%0.238SC..Hα-helixtrans-63.3-38.5174.5-85.3174.4-164.100112.3Q60 S62 V487 A488 E489 G493Q60-E491 HydrophobicContact CB-CG 3.76Å; Q60-E491 HydrophobicContact CG-CG 4.26Å; Q60-E491 PolarHBondContact O-N 2.83Å; S62-E491 VanDerWaalsContact CB-O 3.24Å; S62-E491 WeakPolarHBondContact CB-O 3.45Å; S62-E491 PolarHBondContact OG-O 3.17Å; V487-E491 PolarHBondContact O-N 3.16Å; A488-E491 WeakPolarHBondContact O-CB 3.39Å; A488-E491 PolarHBondContact O-N 3.01Å; E489-E491 VanDerWaalsContact C-N 3.34Å; E491-G493 VanDerWaalsContact C-N 3.3Å
492A91.6Very high94.5Very high60 Ų6041.3 Ų41.350%0.49622%0.218SC..Hα-helixtrans-76.2-14.5176.600000113.7A488 E489 L490A488-A492 WeakPolarHBondContact O-CB 3.31Å; A488-A492 PolarHBondContact O-N 3.23Å; E489-A492 PolarHBondContact O-N 3.42Å; L490-A492 VanDerWaalsContact C-N 3.33Å
493G89.1Confident94.4Very high14 Ų1443 Ų4314%0.14422%0.224CC..THydrogen-bonded Turntrans83.111.2-176.200000114.6S62 E489 L490 E491 L495S62-G493 VanDerWaalsContact O-CA 3.26Å; S62-G493 WeakPolarHBondContact O-CA 3.38Å; E489-G493 PolarHBondContact O-N 2.99Å; E489-G493 VanDerWaalsContact O-N 3.08Å; L490-G493 PolarHBondContact O-N 2.92Å; E491-G493 VanDerWaalsContact C-N 3.3Å; G493-L495 PolarHBondContact O-N 2.83Å; G493-L495 VanDerWaalsContact O-N 3.08Å
494N92.5Very high94.3Very high78 Ų7846.6 Ų46.642%0.41724%0.241SC..  trans-8673.1-179.5-75-28.2000111.6E489 K496 F497 A498E489-N494 HydrophobicContact CB-CB 4.3Å; E489-N494 PolarHBondContact O-N 2.83Å; E489-N494 WeakPolarHBondContact OE2-CB 3.22Å; E489-N494 PolarHBondContact OE2-ND2 3.02Å; N494-K496 VanDerWaalsContact C-N 3.29Å; N494-K496 PolarHBondContact O-N 3.31Å; N494-K496 VanDerWaalsContact O-N 3.15Å; N494-F497 HydrophobicContact CB-CD2 4.26Å; N494-F497 PolarHBondContact O-N 3.03Å; N494-A498 PolarHBondContact O-N 3.02Å
495L92.7Very high94.2Very high0 Ų043 Ų430%022%0.224CC..Hα-helixtrans-55-39.4-171.2-176.957.6000114.7D435 M438 W439 G493 A498 L499D435-L495 HydrophobicContact CB-CD2 3.98Å; M438-L495 HydrophobicContact CB-CD1 3.99Å; M438-L495 HydrophobicContact CB-CD2 3.89Å; M438-L495 HydrophobicContact CB-CG 3.87Å; W439-L495 HydrophobicContact CD2-CD1 3.52Å; W439-L495 HydrophobicContact CD2-CD2 4.25Å; W439-L495 HydrophobicContact CD2-CG 4.45Å; W439-L495 HydrophobicContact CE3-CD1 3.74Å; W439-L495 HydrophobicContact CG-CD1 3.9Å; W439-L495 HydrophobicContact CG-CD2 4.2Å; W439-L495 HydrophobicContact CH2-CD1 4.34Å; W439-L495 HydrophobicContact CZ2-CB 4.36Å; W439-L495 HydrophobicContact CZ2-CD1 4.17Å; W439-L495 HydrophobicContact CZ2-CD2 4.4Å; W439-L495 HydrophobicContact CZ3-CD1 4.16Å; G493-L495 PolarHBondContact O-N 2.83Å; G493-L495 VanDerWaalsContact O-N 3.08Å; L495-A498 PolarHBondContact O-N 3.14Å; L495-L499 PolarHBondContact O-N 2.86Å
496K93.4Very high94Very high122 Ų12240.1 Ų40.153%0.5321%0.209SC..Hα-helixtrans-63.6-45.2-178.4-174.1-178.8177.7-176.30111.9C139 N494 Q500C139-K496 HydrophobicContact CB-CB 4.5Å; N494-K496 VanDerWaalsContact C-N 3.29Å; N494-K496 PolarHBondContact O-N 3.31Å; N494-K496 VanDerWaalsContact O-N 3.15Å; K496-Q500 PolarHBondContact O-N 3.32Å; K496-Q500 VanDerWaalsContact O-N 3.14Å
497F94.4Very high93.8Very high102 Ų10243.7 Ų43.745%0.44723%0.228SC..Hα-helixtrans-72.9-39.4179-68.9-65.9000111.3E489 N494 L499 Q500 F501E489-F497 HydrophobicContact CB-CB 4.3Å; E489-F497 HydrophobicContact CG-CB 3.92Å; N494-F497 HydrophobicContact CB-CD2 4.26Å; N494-F497 PolarHBondContact O-N 3.03Å; F497-L499 VanDerWaalsContact C-N 3.31Å; F497-L499 PolarHBondContact O-N 3.48Å; F497-Q500 PolarHBondContact O-N 2.66Å; F497-Q500 VanDerWaalsContact O-N 3.15Å; F497-F501 HydrophobicContact CB-CD2 4.34Å; F497-F501 HydrophobicContact CB-CE2 4.18Å; F497-F501 VanDerWaalsContact O-CD2 3.25Å; F497-F501 WeakPolarHBondContact O-CD2 3.45Å; F497-F501 PolarHBondContact O-N 2.95Å
498A95.3Very high93.7Very high0 Ų043 Ų430%023%0.225CC..Hα-helixtrans-54.1-46.9172.500000112.2E489 L490 N494 L495 S502E489-A498 HydrophobicContact CB-CB 4Å; L490-A498 HydrophobicContact CD2-CB 3.53Å; L490-A498 HydrophobicContact CG-CB 3.66Å; N494-A498 PolarHBondContact O-N 3.02Å; L495-A498 PolarHBondContact O-N 3.14Å; A498-S502 VanDerWaalsContact O-CB 3.22Å; A498-S502 WeakPolarHBondContact O-CB 3.46Å; A498-S502 PolarHBondContact O-N 3.33Å; A498-S502 PolarHBondContact O-OG 3.06Å
499L94.6Very high93.6Very high7 Ų740.9 Ų40.94%0.03721%0.207CC..Hα-helixtrans-62.3-47.1175.4-175.570.9000111.9V276 M438 R441 S442 L495 F497 S502 K503V276-L499 HydrophobicContact CG2-CD2 4.24Å; M438-L499 HydrophobicContact CB-CD2 4.2Å; M438-L499 HydrophobicContact CE-CD2 4.05Å; M438-L499 HydrophobicContact CG-CD2 3.7Å; M438-L499 HydrophobicContact SD-CD2 4.07Å; R441-L499 HydrophobicContact CB-CD1 3.89Å; S442-L499 VanDerWaalsContact OG-CA 3.24Å; S442-L499 WeakPolarHBondContact OG-CA 3.25Å; S442-L499 PolarHBondContact OG-N 2.95Å; L495-L499 PolarHBondContact O-N 2.86Å; F497-L499 VanDerWaalsContact C-N 3.31Å; F497-L499 PolarHBondContact O-N 3.48Å; L499-S502 WeakPolarHBondContact CA-OG 3.12Å; L499-S502 PolarHBondContact O-N 3.17Å; L499-S502 PolarHBondContact O-OG 3.21Å; L499-K503 PolarHBondContact O-N 2.78Å
500Q94.7Very high93.4Very high89 Ų8942.1 Ų42.142%0.41621%0.213SC..Hα-helixtrans-58.2-53-179.6-177.3-179.8-18.600111.8K496 F497 S502 K503 E504K496-Q500 PolarHBondContact O-N 3.32Å; K496-Q500 VanDerWaalsContact O-N 3.14Å; F497-Q500 PolarHBondContact O-N 2.66Å; F497-Q500 VanDerWaalsContact O-N 3.15Å; Q500-S502 VanDerWaalsContact C-N 3.32Å; Q500-S502 PolarHBondContact O-N 2.64Å; Q500-K503 WeakPolarHBondContact O-CB 3.4Å; Q500-K503 PolarHBondContact O-N 3Å; Q500-K503 VanDerWaalsContact O-N 3.14Å; Q500-E504 PolarHBondContact NE2-OE1 3.23Å; Q500-E504 PolarHBondContact O-N 3.43Å
501F96.3Very high93.3Very high41 Ų4147.6 Ų47.618%0.1824%0.236CC..Hα-helixtrans-65.9-34.3179.4-68.2-52.8000112.3L485 A486 E489 F497 K503 E504 A505L485-F501 HydrophobicContact CB-CB 4.33Å; L485-F501 HydrophobicContact CB-CD1 4.29Å; L485-F501 HydrophobicContact CB-CD2 3.88Å; L485-F501 HydrophobicContact CB-CE2 4.22Å; L485-F501 HydrophobicContact CB-CG 3.93Å; L485-F501 HydrophobicContact CD1-CD1 4.19Å; L485-F501 HydrophobicContact CD1-CE1 3.96Å; L485-F501 HydrophobicContact CD1-CZ 4.19Å; A486-F501 HydrophobicContact CB-CB 3.83Å; E489-F501 HydrophobicContact CG-CD2 3.99Å; E489-F501 HydrophobicContact CG-CE2 4.05Å; F497-F501 HydrophobicContact CB-CD2 4.34Å; F497-F501 HydrophobicContact CB-CE2 4.18Å; F497-F501 VanDerWaalsContact O-CD2 3.25Å; F497-F501 WeakPolarHBondContact O-CD2 3.45Å; F497-F501 PolarHBondContact O-N 2.95Å; F501-K503 VanDerWaalsContact C-N 3.27Å; F501-K503 PolarHBondContact O-N 2.76Å; F501-E504 PolarHBondContact O-N 3.48Å; F501-A505 WeakPolarHBondContact O-CB 3.5Å; F501-A505 PolarHBondContact O-N 3.45Å
502S95.5Very high93.1Very high0 Ų043.5 Ų43.50%022%0.218CC..Hα-helixtrans-63.1-34.5174.178.10000112.5N445 A498 L499 Q500 I506N445-S502 WeakPolarHBondContact CB-OG 3.37Å; N445-S502 PolarHBondContact ND2-OG 3.18Å; N445-S502 VanDerWaalsContact ND2-OG 3.09Å; A498-S502 VanDerWaalsContact O-CB 3.22Å; A498-S502 WeakPolarHBondContact O-CB 3.46Å; A498-S502 PolarHBondContact O-N 3.33Å; A498-S502 PolarHBondContact O-OG 3.06Å; L499-S502 WeakPolarHBondContact CA-OG 3.12Å; L499-S502 PolarHBondContact O-N 3.17Å; L499-S502 PolarHBondContact O-OG 3.21Å; Q500-S502 VanDerWaalsContact C-N 3.32Å; Q500-S502 PolarHBondContact O-N 2.64Å; S502-I506 PolarHBondContact O-N 3.14Å; S502-I506 VanDerWaalsContact O-N 3.13Å
503K93.4Very high93Very high43 Ų4343.9 Ų43.919%0.18721%0.208CC..Hα-helixtrans-71.2-43.8176.5-179.2176.7177.91670111.2P236 L499 Q500 F501 A505 I506 L507P236-K503 PolarHBondContact O-NZ 3.32Å; L499-K503 PolarHBondContact O-N 2.78Å; Q500-K503 WeakPolarHBondContact O-CB 3.4Å; Q500-K503 PolarHBondContact O-N 3Å; Q500-K503 VanDerWaalsContact O-N 3.14Å; F501-K503 VanDerWaalsContact C-N 3.27Å; F501-K503 PolarHBondContact O-N 2.76Å; K503-A505 VanDerWaalsContact C-N 3.29Å; K503-A505 PolarHBondContact O-N 3.28Å; K503-I506 PolarHBondContact O-N 2.86Å; K503-L507 HydrophobicContact CG-CD1 4.22Å; K503-L507 WeakPolarHBondContact O-CG 3.07Å; K503-L507 PolarHBondContact O-N 2.97Å
504E94.4Very high92.9Very high77 Ų7750 Ų5036%0.3623%0.231SC..Hα-helixtrans-60.1-40.9174.6-70.2173.3-165.200111.2Q500 F501 L507 A508Q500-E504 PolarHBondContact NE2-OE1 3.23Å; Q500-E504 PolarHBondContact O-N 3.43Å; F501-E504 PolarHBondContact O-N 3.48Å; E504-L507 PolarHBondContact O-N 3.46Å; E504-A508 WeakPolarHBondContact O-CB 3.39Å; E504-A508 PolarHBondContact O-N 2.8Å
505A95.1Very high92.6Very high0 Ų047.6 Ų47.60%022%0.218CC..Hα-helixtrans-59.6-48.3174.400000113.2A449 L483 F501 K503 S509A449-A505 HydrophobicContact CB-CB 4.15Å; L483-A505 HydrophobicContact CD2-CB 3.87Å; L483-A505 HydrophobicContact CG-CB 3.75Å; F501-A505 WeakPolarHBondContact O-CB 3.5Å; F501-A505 PolarHBondContact O-N 3.45Å; K503-A505 VanDerWaalsContact C-N 3.29Å; K503-A505 PolarHBondContact O-N 3.28Å; A505-S509 VanDerWaalsContact O-CB 3.25Å; A505-S509 WeakPolarHBondContact O-CB 3.33Å; A505-S509 PolarHBondContact O-N 3.36Å; A505-S509 PolarHBondContact O-OG 3.14Å
506I92.4Very high92.1Very high9 Ų952.4 Ų52.45%0.04625%0.249CC..Hα-helixtrans-59.2-52.1175.8-83.9-168000110.6N445 T448 A449 S502 K503 A508 S509 E510N445-I506 VanDerWaalsContact CA-CD1 3.43Å; N445-I506 HydrophobicContact CB-CD1 3.71Å; N445-I506 HydrophobicContact CB-CG1 4.13Å; N445-I506 WeakPolarHBondContact O-CG1 3.46Å; N445-I506 WeakPolarHBondContact OD1-CD1 3.49Å; T448-I506 HydrophobicContact CG2-CD1 4.26Å; A449-I506 HydrophobicContact CB-CG1 3.84Å; S502-I506 PolarHBondContact O-N 3.14Å; S502-I506 VanDerWaalsContact O-N 3.13Å; K503-I506 PolarHBondContact O-N 2.86Å; I506-A508 VanDerWaalsContact C-N 3.3Å; I506-A508 PolarHBondContact O-N 3.11Å; I506-S509 WeakPolarHBondContact CA-OG 3.47Å; I506-S509 PolarHBondContact O-N 3.06Å; I506-S509 VanDerWaalsContact O-N 3.09Å; I506-S509 PolarHBondContact O-OG 3.42Å; I506-E510 HydrophobicContact CG2-CG 4.23Å; I506-E510 PolarHBondContact O-N 3.13Å
507L92.2Very high91.4Very high76 Ų7647.9 Ų47.940%0.39823%0.233SC..Hα-helixtrans-57.3-45.2-176.3-75.5172.7000111.7P236 K503 E504 K511P236-L507 HydrophobicContact CB-CD1 4.44Å; P236-L507 HydrophobicContact CB-CD2 3.77Å; P236-L507 HydrophobicContact CB-CG 4.34Å; P236-L507 HydrophobicContact CG-CD2 3.66Å; K503-L507 HydrophobicContact CG-CD1 4.22Å; K503-L507 WeakPolarHBondContact O-CG 3.07Å; K503-L507 PolarHBondContact O-N 2.97Å; E504-L507 PolarHBondContact O-N 3.46Å; L507-K511 WeakPolarHBondContact O-CB 3.46Å; L507-K511 PolarHBondContact O-N 2.87Å
508A93.8Very high90.6Very high7 Ų743.6 Ų43.66%0.05822%0.215CC..Hα-helixtrans-67.8-40.4177.500000111.9A479 E504 I506 A512A479-A508 HydrophobicContact CB-CB 3.69Å; E504-A508 WeakPolarHBondContact O-CB 3.39Å; E504-A508 PolarHBondContact O-N 2.8Å; I506-A508 VanDerWaalsContact C-N 3.3Å; I506-A508 PolarHBondContact O-N 3.11Å; A508-A512 WeakPolarHBondContact O-CB 3.46Å; A508-A512 PolarHBondContact O-N 3.04Å
509S93.4Very high89.2Confident1 Ų149.2 Ų49.21%0.00724%0.244CC..Hα-helixtrans-66.2-43.117973.30000113.2A505 I506 A512 F513A505-S509 VanDerWaalsContact O-CB 3.25Å; A505-S509 WeakPolarHBondContact O-CB 3.33Å; A505-S509 PolarHBondContact O-N 3.36Å; A505-S509 PolarHBondContact O-OG 3.14Å; I506-S509 WeakPolarHBondContact CA-OG 3.47Å; I506-S509 PolarHBondContact O-N 3.06Å; I506-S509 VanDerWaalsContact O-N 3.09Å; I506-S509 PolarHBondContact O-OG 3.42Å; S509-A512 PolarHBondContact O-N 3.03Å; S509-F513 WeakPolarHBondContact O-CB 3.35Å; S509-F513 PolarHBondContact O-N 2.94Å
510E90.1Very high87.6Confident71 Ų7155.9 Ų55.933%0.33228%0.275SS..Hα-helixtrans-70-42.5178.1-71.4-175.315700110.8I506 A512 F513 F514I506-E510 HydrophobicContact CG2-CG 4.23Å; I506-E510 PolarHBondContact O-N 3.13Å; E510-A512 VanDerWaalsContact C-N 3.27Å; E510-A512 PolarHBondContact O-N 3.18Å; E510-F513 PolarHBondContact O-N 3.28Å; E510-F514 HydrophobicContact CB-CD2 4.23Å; E510-F514 HydrophobicContact CB-CE2 4.5Å; E510-F514 WeakPolarHBondContact O-CB 3.05Å; E510-F514 VanDerWaalsContact O-CD2 3.3Å; E510-F514 WeakPolarHBondContact O-CD2 2.99Å; E510-F514 PolarHBondContact O-N 3.43Å
511K90.4Very high85.8Confident116 Ų11654.9 Ų54.950%0.50427%0.272SS..Hα-helixtrans-59.8-39175.2-174.2178.8176.6-164.90111.8Q475 L507 D515Q475-K511 HydrophobicContact CG-CD 4.27Å; Q475-K511 HydrophobicContact CG-CG 4.44Å; L507-K511 WeakPolarHBondContact O-CB 3.46Å; L507-K511 PolarHBondContact O-N 2.87Å; K511-D515 PolarHBondContact O-N 2.94Å
512A90.2Very high83.8Confident1 Ų156.9 Ų56.91%0.00828%0.284CS..Hα-helixtrans-68.6-45.7174.400000112.1L456 Q475 V476 A508 S509 E510 L518L456-A512 HydrophobicContact CD2-CB 3.98Å; Q475-A512 HydrophobicContact CB-CB 3.85Å; V476-A512 HydrophobicContact CG2-CB 3.88Å; A508-A512 WeakPolarHBondContact O-CB 3.46Å; A508-A512 PolarHBondContact O-N 3.04Å; S509-A512 PolarHBondContact O-N 3.03Å; E510-A512 VanDerWaalsContact C-N 3.27Å; E510-A512 PolarHBondContact O-N 3.18Å; A512-L518 WeakPolarHBondContact O-CD1 3.32Å
513F88.9Confident81.8Confident67 Ų6765.9 Ų65.929%0.29432%0.319SS..Hα-helixtrans-68.8-38.9-175.3-173.7-89.8000113.2T452 L456 S509 E510T452-F513 HydrophobicContact CG2-CB 3.72Å; T452-F513 HydrophobicContact CG2-CD2 4.08Å; T452-F513 HydrophobicContact CG2-CG 3.95Å; L456-F513 HydrophobicContact CB-CD2 4.04Å; L456-F513 HydrophobicContact CD1-CD2 4.2Å; S509-F513 WeakPolarHBondContact O-CB 3.35Å; S509-F513 PolarHBondContact O-N 2.94Å; E510-F513 PolarHBondContact O-N 3.28Å
514F86.4Confident80.1Confident142 Ų14269 Ų6962%0.62333%0.333SS*.THydrogen-bonded Turntrans-96.714.4-179.2-62.9-70000113.5E510E510-F514 HydrophobicContact CB-CD2 4.23Å; E510-F514 HydrophobicContact CB-CE2 4.5Å; E510-F514 WeakPolarHBondContact O-CB 3.05Å; E510-F514 VanDerWaalsContact O-CD2 3.3Å; E510-F514 WeakPolarHBondContact O-CD2 2.99Å; E510-F514 PolarHBondContact O-N 3.43Å
515D86.8Confident78.6Confident29 Ų2967.8 Ų67.816%0.15533%0.332CS..  trans-62126.7177.8-170.9-79.6000110.5I472 K511 S517 L518I472-D515 HydrophobicContact CD1-CB 4.22Å; I472-D515 HydrophobicContact CG1-CB 4.12Å; K511-D515 PolarHBondContact O-N 2.94Å; D515-S517 PolarHBondContact O-N 3.18Å; D515-S517 VanDerWaalsContact OD1-CB 3.22Å; D515-S517 WeakPolarHBondContact OD1-CB 3.49Å; D515-S517 PolarHBondContact OD1-N 2.92Å; D515-S517 PolarHBondContact OD1-OG 3.42Å; D515-L518 PolarHBondContact O-N 2.94Å; D515-L518 VanDerWaalsContact O-N 3.12Å
516P82.6Confident77.1Confident101 Ų10170.9 Ų70.966%0.65635%0.348SS*.Hα-helixtrans-57-26.8-177.2-26.534.3000114.4L518 L519 H520P516-L518 VanDerWaalsContact C-N 3.29Å; P516-L518 PolarHBondContact O-N 3.27Å; P516-L519 PolarHBondContact O-N 2.89Å; P516-H520 PolarHBondContact O-N 2.97Å
517S78.8Confident75.9Confident27 Ų2776.6 Ų76.619%0.18938%0.379CS..Hα-helixtrans-70.6-23.6-178690000113.4N469 I472 D515 L519N469-S517 WeakPolarHBondContact ND2-CB 3.34Å; N469-S517 PolarHBondContact ND2-OG 3.32Å; I472-S517 VanDerWaalsContact CD1-OG 3.24Å; I472-S517 WeakPolarHBondContact CD1-OG 3.26Å; D515-S517 PolarHBondContact O-N 3.18Å; D515-S517 VanDerWaalsContact OD1-CB 3.22Å; D515-S517 WeakPolarHBondContact OD1-CB 3.49Å; D515-S517 PolarHBondContact OD1-N 2.92Å; D515-S517 PolarHBondContact OD1-OG 3.42Å; S517-L519 VanDerWaalsContact C-N 3.28Å; S517-L519 PolarHBondContact O-N 3.28Å
518L76.4Confident74.7Confident12 Ų1277.1 Ų77.16%0.06338%0.38CS..Hα-helixtrans-66.6-31173.4-68.3178.9000112.2L456 L460 I466 I472 A512 D515 P516L456-L518 HydrophobicContact CD1-CD1 3.82Å; L460-L518 HydrophobicContact CD2-CD2 4.01Å; I466-L518 HydrophobicContact CG2-CD2 3.68Å; I472-L518 HydrophobicContact CD1-CD2 3.72Å; I472-L518 HydrophobicContact CD1-CG 3.82Å; A512-L518 WeakPolarHBondContact O-CD1 3.32Å; D515-L518 PolarHBondContact O-N 2.94Å; D515-L518 VanDerWaalsContact O-N 3.12Å; P516-L518 VanDerWaalsContact C-N 3.29Å; P516-L518 PolarHBondContact O-N 3.27Å
519L67.2Low73.5Confident118 Ų11878.8 Ų78.862%0.61839%0.385SS*.Hα-helixtrans-87.3-32.5-178.2-65174.8000112.9P516 S517 L521 L522P516-L519 PolarHBondContact O-N 2.89Å; S517-L519 VanDerWaalsContact C-N 3.28Å; S517-L519 PolarHBondContact O-N 3.28Å; L519-L521 PolarHBondContact O-N 2.87Å; L519-L522 HydrophobicContact CD2-CD1 3.88Å; L519-L522 PolarHBondContact O-N 3.22Å
520H60.3Low72.5Confident147 Ų14783.7 Ų83.768%0.68141%0.407SS*.Hα-helixtrans-66.4-23-170.8-169.7-86.7000113.9P516P516-H520 PolarHBondContact O-N 2.97Å
521L56.1Low71.9Confident67 Ų6783.5 Ų83.535%0.35142%0.417SS..THydrogen-bonded Turntrans-109.95.4-174.3-69.4167.8000114.8V467 L519 Y523V467-L521 HydrophobicContact CB-CD1 3.63Å; V467-L521 HydrophobicContact CG1-CD1 4.43Å; V467-L521 HydrophobicContact CG2-CD1 3.6Å; L519-L521 PolarHBondContact O-N 2.87Å; L521-Y523 PolarHBondContact O-N 3.13Å
522L55.7Low71.1Confident84 Ų8483 Ų8344%0.4442%0.419SS..THydrogen-bonded Turntrans-57.3-16.2167.2-78.5155.5000112.8I463 L519I463-L522 HydrophobicContact CD1-CD2 3.94Å; I463-L522 HydrophobicContact CG2-CD2 4.33Å; L519-L522 HydrophobicContact CD2-CD1 3.88Å; L519-L522 PolarHBondContact O-N 3.22Å
523Y52.6Low70.4Confident188 Ų18886.6 Ų86.674%0.73743%0.433SS*.THydrogen-bonded Turntrans-94.89.9-171.6-84.6-81.7000116.5L521 P525L521-Y523 PolarHBondContact O-N 3.13Å; Y523-P525 WeakPolarHBondContact O-CD 3.46Å
524F59.2Low70Confident109 Ų10987.7 Ų87.748%0.47844%0.441SS..  trans-109.775.5169-114.9-88.8000112Q528 I532F524-Q528 HydrophobicContact CD1-CB 4.48Å; F524-I532 HydrophobicContact CE1-CD1 4.3Å
525P63Low69.9Low52 Ų5285.1 Ų85.134%0.33844%0.438SS..  trans-54146.2172.9-19.625.7000111.7Y523 D527 Q528 K529Y523-P525 WeakPolarHBondContact O-CD 3.46Å; P525-D527 HydrophobicContact CB-CB 4.4Å; P525-D527 PolarHBondContact O-N 3.17Å; P525-D527 VanDerWaalsContact O-N 3.13Å; P525-Q528 HydrophobicContact CG-CG 4.35Å; P525-Q528 WeakPolarHBondContact O-CB 3.36Å; P525-Q528 PolarHBondContact O-N 2.97Å; P525-K529 PolarHBondContact O-N 3.42Å
526D62.7Low69.5Low64 Ų6488.8 Ų88.834%0.34246%0.458SS..Hα-helixtrans-58-28.6174.5-67.6-39.7000112.1N465 Q528 K529 F530N465-D526 PolarHBondContact ND2-OD1 3.14Å; N465-D526 VanDerWaalsContact ND2-OD1 3.14Å; N465-D526 PolarHBondContact ND2-OD2 2.87Å; N465-D526 PolarHBondContact OD1-OD1 2.91Å; D526-Q528 PolarHBondContact O-N 3.16Å; D526-K529 WeakPolarHBondContact O-CA 3.44Å; D526-K529 WeakPolarHBondContact O-CB 3.41Å; D526-K529 PolarHBondContact O-N 3.3Å; D526-K529 WeakPolarHBondContact OD1-CE 3.48Å; D526-K529 IonicContact OD1-NZ 3.35Å; D526-K529 PolarHBondContact OD1-NZ 2.95Å; D526-F530 HydrophobicContact CB-CD2 4.35Å; D526-F530 HydrophobicContact CB-CE2 4.02Å; D526-F530 WeakPolarHBondContact O-CD2 3.33Å; D526-F530 PolarHBondContact O-N 3.05Å
527D66.4Low69.3Low129 Ų12987.5 Ų87.569%0.6944%0.442SS*.Hα-helixtrans-57.1-37.4173.5-62.6-28.9000112.7P525 F530 A531P525-D527 HydrophobicContact CB-CB 4.4Å; P525-D527 PolarHBondContact O-N 3.17Å; P525-D527 VanDerWaalsContact O-N 3.13Å; D527-F530 PolarHBondContact O-N 3.31Å; D527-A531 WeakPolarHBondContact O-CB 3.5Å; D527-A531 PolarHBondContact O-N 2.95Å
528Q67.4Low69.4Low88 Ų8890.9 Ų90.941%0.41146%0.457SS..Hα-helixtrans-73.6-34.8176.3-64-177.1-0.500111.4F524 P525 D526 A531 I532F524-Q528 HydrophobicContact CD1-CB 4.48Å; P525-Q528 HydrophobicContact CG-CG 4.35Å; P525-Q528 WeakPolarHBondContact O-CB 3.36Å; P525-Q528 PolarHBondContact O-N 2.97Å; D526-Q528 PolarHBondContact O-N 3.16Å; Q528-A531 PolarHBondContact O-N 2.92Å; Q528-I532 WeakPolarHBondContact O-CD1 3.43Å; Q528-I532 VanDerWaalsContact O-CG1 3.29Å; Q528-I532 WeakPolarHBondContact O-CG1 3.37Å; Q528-I532 PolarHBondContact O-N 3.44Å; Q528-I532 VanDerWaalsContact O-N 3.14Å
529K68.7Low69.8Low41 Ų4194.5 Ų94.518%0.17848%0.481CS..Hα-helixtrans-61.5-48.6171.2-59.6178.5-169.6158.30110N465 P525 D526 A531 I532 Y533N465-K529 PolarHBondContact OD1-NZ 3.1Å; P525-K529 PolarHBondContact O-N 3.42Å; D526-K529 WeakPolarHBondContact O-CA 3.44Å; D526-K529 WeakPolarHBondContact O-CB 3.41Å; D526-K529 PolarHBondContact O-N 3.3Å; D526-K529 WeakPolarHBondContact OD1-CE 3.48Å; D526-K529 IonicContact OD1-NZ 3.35Å; D526-K529 PolarHBondContact OD1-NZ 2.95Å; K529-A531 VanDerWaalsContact C-N 3.34Å; K529-A531 PolarHBondContact O-N 3.36Å; K529-I532 PolarHBondContact O-N 3.34Å; K529-Y533 HydrophobicContact CB-CD2 4.15Å; K529-Y533 HydrophobicContact CB-CE2 4.13Å; K529-Y533 WeakPolarHBondContact O-CB 3.42Å; K529-Y533 WeakPolarHBondContact O-CD2 3.41Å; K529-Y533 PolarHBondContact O-N 3.31Å
530F72.8Confident70.4Confident105 Ų10594 Ų9446%0.46148%0.477SS..Hα-helixtrans-62.7-39177.3-69.3-60.8000112.4D526 D527 I532 Y533 I534D526-F530 HydrophobicContact CB-CD2 4.35Å; D526-F530 HydrophobicContact CB-CE2 4.02Å; D526-F530 WeakPolarHBondContact O-CD2 3.33Å; D526-F530 PolarHBondContact O-N 3.05Å; D527-F530 PolarHBondContact O-N 3.31Å; F530-I532 VanDerWaalsContact C-N 3.26Å; F530-I532 PolarHBondContact O-N 2.88Å; F530-Y533 PolarHBondContact O-N 3.49Å; F530-I534 HydrophobicContact CB-CD1 3.96Å; F530-I534 HydrophobicContact CB-CG1 4.43Å; F530-I534 VanDerWaalsContact O-CB 3.23Å; F530-I534 WeakPolarHBondContact O-CB 3.44Å; F530-I534 WeakPolarHBondContact O-CG1 3.35Å; F530-I534 PolarHBondContact O-N 3.28Å
531A76.5Confident71.3Confident66 Ų6689.8 Ų89.855%0.54546%0.464SS..Hα-helixtrans-61.3-32.9175.800000113.1D527 Q528 K529 P535D527-A531 WeakPolarHBondContact O-CB 3.5Å; D527-A531 PolarHBondContact O-N 2.95Å; Q528-A531 PolarHBondContact O-N 2.92Å; K529-A531 VanDerWaalsContact C-N 3.34Å; K529-A531 PolarHBondContact O-N 3.36Å; A531-P535 WeakPolarHBondContact O-CD 3.31Å; A531-P535 WeakPolarHBondContact O-CG 3.41Å
532I74.3Confident72.7Confident106 Ų10689.9 Ų89.954%0.54447%0.467SS..Hα-helixtrans-78.9-42175.8-64163.6000111.1F524 Q528 K529 F530F524-I532 HydrophobicContact CE1-CD1 4.3Å; Q528-I532 WeakPolarHBondContact O-CD1 3.43Å; Q528-I532 VanDerWaalsContact O-CG1 3.29Å; Q528-I532 WeakPolarHBondContact O-CG1 3.37Å; Q528-I532 PolarHBondContact O-N 3.44Å; Q528-I532 VanDerWaalsContact O-N 3.14Å; K529-I532 PolarHBondContact O-N 3.34Å; F530-I532 VanDerWaalsContact C-N 3.26Å; F530-I532 PolarHBondContact O-N 2.88Å
533Y75.9Confident74Confident76 Ų7689.6 Ų89.630%0.29847%0.47SS..Hα-helixtrans-84.7-32-172.1-69-55.6000114.4W35 T39 K529 F530 L536 F537W35-Y533 HydrophobicContact CZ2-CD2 4.47Å; T39-Y533 HydrophobicContact CG2-CE2 3.99Å; K529-Y533 HydrophobicContact CB-CD2 4.15Å; K529-Y533 HydrophobicContact CB-CE2 4.13Å; K529-Y533 WeakPolarHBondContact O-CB 3.42Å; K529-Y533 WeakPolarHBondContact O-CD2 3.41Å; K529-Y533 PolarHBondContact O-N 3.31Å; F530-Y533 PolarHBondContact O-N 3.49Å; Y533-L536 PolarHBondContact O-N 3.28Å; Y533-L536 VanDerWaalsContact O-N 3.16Å; Y533-F537 HydrophobicContact CD1-CD2 4.26Å; Y533-F537 AromaticContact CD1-CE2 3.71Å; Y533-F537 HydrophobicContact CD1-CE2 3.71Å; Y533-F537 HydrophobicContact CE1-CE2 4.49Å; Y533-F537 HydrophobicContact CG-CE2 4.33Å; Y533-F537 WeakPolarHBondContact O-CD2 3.31Å; Y533-F537 PolarHBondContact O-N 2.93Å
534I80.7Confident75.4Confident90 Ų9082.6 Ų82.646%0.46245%0.445SS..Hα-helixtrans-58.1-49.1-179.8-73.1169000111.5F530 L536 F537 L538F530-I534 HydrophobicContact CB-CD1 3.96Å; F530-I534 HydrophobicContact CB-CG1 4.43Å; F530-I534 VanDerWaalsContact O-CB 3.23Å; F530-I534 WeakPolarHBondContact O-CB 3.44Å; F530-I534 WeakPolarHBondContact O-CG1 3.35Å; F530-I534 PolarHBondContact O-N 3.28Å; I534-L536 PolarHBondContact O-N 3.33Å; I534-F537 PolarHBondContact O-N 2.97Å; I534-L538 HydrophobicContact CG2-CB 4.24Å; I534-L538 HydrophobicContact CG2-CD2 4.18Å; I534-L538 WeakPolarHBondContact O-CB 3.38Å; I534-L538 PolarHBondContact O-N 2.88Å
535P84.6Confident76.5Confident88 Ų8882.6 Ų82.657%0.57145%0.45SS*.Hα-helixtrans-60.8-30.8177.5-2535.4000114.1A531 P539A531-P535 WeakPolarHBondContact O-CD 3.31Å; A531-P535 WeakPolarHBondContact O-CG 3.41Å; P535-P539 WeakPolarHBondContact O-CD 3.27Å; P535-P539 WeakPolarHBondContact O-CG 3.47Å
536L78.3Confident77.5Confident107 Ų10785.3 Ų85.356%0.5646%0.461SS*.Hα-helixtrans-77.5-43-179.2-173.967.5000112.2Y533 I534Y533-L536 PolarHBondContact O-N 3.28Å; Y533-L536 VanDerWaalsContact O-N 3.16Å; I534-L536 PolarHBondContact O-N 3.33Å
537F78.3Confident78.4Confident73 Ų7384.2 Ų84.232%0.3246%0.458SS..Hα-helixtrans-97.4-30-172.1-70.5-72.2000114.1W35 Y533 I534 P539 M540 C541W35-F537 AromaticContact CD1-CE2 3.8Å; W35-F537 AromaticContact CD1-CZ 3.8Å; W35-F537 AromaticContact NE1-CE2 3.68Å; Y533-F537 HydrophobicContact CD1-CD2 4.26Å; Y533-F537 AromaticContact CD1-CE2 3.71Å; Y533-F537 HydrophobicContact CD1-CE2 3.71Å; Y533-F537 HydrophobicContact CE1-CE2 4.49Å; Y533-F537 HydrophobicContact CG-CE2 4.33Å; Y533-F537 WeakPolarHBondContact O-CD2 3.31Å; Y533-F537 PolarHBondContact O-N 2.93Å; I534-F537 PolarHBondContact O-N 2.97Å; F537-P539 VanDerWaalsContact C-CD 3.5Å; F537-M540 HydrophobicContact CD1-CE 3.88Å; F537-M540 HydrophobicContact CE1-CE 4.26Å; F537-M540 PolarHBondContact O-N 2.88Å; F537-C541 WeakPolarHBondContact O-CB 3.26Å; F537-C541 PolarHBondContact O-N 3.24Å; F537-C541 PolarHBondContact O-SG 2.74Å
538L81Confident79.2Confident99 Ų9980.7 Ų80.752%0.51844%0.439SS..Hα-helixtrans-56.1-43.7-178.2-172.773.2000113.1I534 M540 C541 V542I534-L538 HydrophobicContact CG2-CB 4.24Å; I534-L538 HydrophobicContact CG2-CD2 4.18Å; I534-L538 WeakPolarHBondContact O-CB 3.38Å; I534-L538 PolarHBondContact O-N 2.88Å; L538-M540 PolarHBondContact O-N 2.99Å; L538-C541 PolarHBondContact O-N 2.98Å; L538-V542 HydrophobicContact CD1-CG2 3.87Å; L538-V542 HydrophobicContact CG-CG2 4.11Å; L538-V542 VanDerWaalsContact O-CG2 3.28Å; L538-V542 WeakPolarHBondContact O-CG2 3.35Å; L538-V542 PolarHBondContact O-N 3.41Å; L538-V542 VanDerWaalsContact O-N 3.08Å
539P83.9Confident80Confident87 Ų8781.1 Ų81.157%0.56544%0.443SS*.Hα-helixtrans-63.4-28.2177.6-22.134.8000113.7P535 F537 P543P535-P539 WeakPolarHBondContact O-CD 3.27Å; P535-P539 WeakPolarHBondContact O-CG 3.47Å; F537-P539 VanDerWaalsContact C-CD 3.5Å; P539-P543 WeakPolarHBondContact O-CD 3.32Å; P539-P543 WeakPolarHBondContact O-CG 3.5Å
540M79.1Confident80.8Confident107 Ų10785.2 Ų85.253%0.52746%0.461SS..Hα-helixtrans-84.5-40.3176.7-69.3-167.7-7500112.3F537 L538 P543 I544F537-M540 HydrophobicContact CD1-CE 3.88Å; F537-M540 HydrophobicContact CE1-CE 4.26Å; F537-M540 PolarHBondContact O-N 2.88Å; L538-M540 PolarHBondContact O-N 2.99Å; M540-P543 WeakPolarHBondContact O-CD 3.26Å; M540-I544 WeakPolarHBondContact O-CD1 2.99Å; M540-I544 WeakPolarHBondContact O-CG1 3.22Å
541C80.6Confident81.3Confident59 Ų5981.6 Ų81.640%0.39945%0.446SS..Hα-helixtrans-70.1-39.2-176.9-680000112.7F537 L538 I544 L545F537-C541 WeakPolarHBondContact O-CB 3.26Å; F537-C541 PolarHBondContact O-N 3.24Å; F537-C541 PolarHBondContact O-SG 2.74Å; L538-C541 PolarHBondContact O-N 2.98Å; C541-I544 PolarHBondContact O-N 3.35Å; C541-L545 WeakPolarHBondContact O-CB 3.27Å; C541-L545 PolarHBondContact O-N 3Å
542V84.9Confident81.5Confident70 Ų7080.5 Ų80.542%0.42444%0.437SS..Hα-helixtrans-59.9-49.9-176168.40000112.6L538 I544 L545 L546L538-V542 HydrophobicContact CD1-CG2 3.87Å; L538-V542 HydrophobicContact CG-CG2 4.11Å; L538-V542 VanDerWaalsContact O-CG2 3.28Å; L538-V542 WeakPolarHBondContact O-CG2 3.35Å; L538-V542 PolarHBondContact O-N 3.41Å; L538-V542 VanDerWaalsContact O-N 3.08Å; V542-I544 VanDerWaalsContact C-N 3.35Å; V542-I544 PolarHBondContact O-N 3.05Å; V542-L545 PolarHBondContact O-N 2.83Å; V542-L546 HydrophobicContact CG1-CD1 3.87Å; V542-L546 HydrophobicContact CG1-CG 4.46Å; V542-L546 WeakPolarHBondContact O-CB 3.35Å; V542-L546 WeakPolarHBondContact O-CG 3.12Å; V542-L546 PolarHBondContact O-N 2.9Å
543P82.4Confident81.9Confident77 Ų7778.2 Ų78.250%0.543%0.43SS..Hα-helixtrans-61.7-38.9176.9-24.534.2000113.7P539 M540 S547P539-P543 WeakPolarHBondContact O-CD 3.32Å; P539-P543 WeakPolarHBondContact O-CG 3.5Å; M540-P543 WeakPolarHBondContact O-CD 3.26Å; P543-S547 VanDerWaalsContact O-CB 3.31Å; P543-S547 WeakPolarHBondContact O-CB 3.42Å; P543-S547 PolarHBondContact O-N 3.48Å
544I82.6Confident82.2Confident42 Ų4276.1 Ų76.122%0.21542%0.423CS..Hα-helixtrans-65.2-44.5179.2-63.4171.8000109.9I23 A24 V27 M540 C541 V542 S547 L548I23-I544 HydrophobicContact CG2-CD1 4.15Å; A24-I544 HydrophobicContact CB-CG2 3.99Å; V27-I544 HydrophobicContact CG2-CD1 4.1Å; M540-I544 WeakPolarHBondContact O-CD1 2.99Å; M540-I544 WeakPolarHBondContact O-CG1 3.22Å; C541-I544 PolarHBondContact O-N 3.35Å; V542-I544 VanDerWaalsContact C-N 3.35Å; V542-I544 PolarHBondContact O-N 3.05Å; I544-S547 WeakPolarHBondContact O-CB 3.5Å; I544-S547 PolarHBondContact O-N 3.41Å; I544-L548 HydrophobicContact CG2-CD1 4.18Å; I544-L548 WeakPolarHBondContact O-CG 3.16Å; I544-L548 PolarHBondContact O-N 3.11Å
545L82.9Confident82.1Confident109 Ų10974 Ų7457%0.57142%0.42SS*.Hα-helixtrans-65.9-44.6-179.8-147.7111.5000111.7C541 V542 S547 L548 I549C541-L545 WeakPolarHBondContact O-CB 3.27Å; C541-L545 PolarHBondContact O-N 3Å; V542-L545 PolarHBondContact O-N 2.83Å; L545-S547 VanDerWaalsContact C-N 3.3Å; L545-S547 PolarHBondContact O-N 2.97Å; L545-L548 PolarHBondContact O-N 3.1Å; L545-I549 HydrophobicContact CD2-CD1 3.89Å; L545-I549 VanDerWaalsContact O-CG1 3.28Å; L545-I549 WeakPolarHBondContact O-CG1 3.28Å; L545-I549 PolarHBondContact O-N 3.05Å
546L84.2Confident81.8Confident109 Ų10978.5 Ų78.557%0.57143%0.425SS*.Hα-helixtrans-61-39.7175.1-71.9171.6000111.8V542 I549 K550V542-L546 HydrophobicContact CG1-CD1 3.87Å; V542-L546 HydrophobicContact CG1-CG 4.46Å; V542-L546 WeakPolarHBondContact O-CB 3.35Å; V542-L546 WeakPolarHBondContact O-CG 3.12Å; V542-L546 PolarHBondContact O-N 2.9Å; L546-I549 PolarHBondContact O-N 2.76Å; L546-K550 WeakPolarHBondContact O-CB 3.29Å; L546-K550 PolarHBondContact O-N 3.27Å
547S81.9Confident81.8Confident41 Ų4179 Ų7929%0.28742%0.424SS..Hα-helixtrans-64.2-45175.8-1690000111.9A20 P543 I544 L545 K550 I551A20-S547 VanDerWaalsContact CB-OG 3.27Å; A20-S547 WeakPolarHBondContact CB-OG 3.23Å; P543-S547 VanDerWaalsContact O-CB 3.31Å; P543-S547 WeakPolarHBondContact O-CB 3.42Å; P543-S547 PolarHBondContact O-N 3.48Å; I544-S547 WeakPolarHBondContact O-CB 3.5Å; I544-S547 PolarHBondContact O-N 3.41Å; L545-S547 VanDerWaalsContact C-N 3.3Å; L545-S547 PolarHBondContact O-N 2.97Å; S547-K550 PolarHBondContact O-N 3.37Å; S547-I551 VanDerWaalsContact O-CG1 3.26Å; S547-I551 WeakPolarHBondContact O-CG1 3.16Å; S547-I551 PolarHBondContact O-N 3.39Å
548L81.8Confident81.7Confident54 Ų5481 Ų8128%0.28343%0.433SS..Hα-helixtrans-62.2-44.3175.6-75.1168.6000112.5L21 A24 I544 L545 K550 I551 A552L21-L548 HydrophobicContact CD2-CD2 4.01Å; A24-L548 HydrophobicContact CB-CD1 3.88Å; A24-L548 HydrophobicContact CB-CD2 3.79Å; A24-L548 HydrophobicContact CB-CG 4.06Å; I544-L548 HydrophobicContact CG2-CD1 4.18Å; I544-L548 WeakPolarHBondContact O-CG 3.16Å; I544-L548 PolarHBondContact O-N 3.11Å; L545-L548 PolarHBondContact O-N 3.1Å; L548-K550 VanDerWaalsContact C-N 3.32Å; L548-K550 PolarHBondContact O-N 3.07Å; L548-I551 PolarHBondContact O-N 3.34Å; L548-A552 WeakPolarHBondContact O-CB 3.5Å; L548-A552 PolarHBondContact O-N 3.45Å
549I85.4Confident81.3Confident98 Ų9885.2 Ų85.250%0.50344%0.442SS..Hα-helixtrans-60.7-43.3177.4-70166.5000110.5L545 L546 A552 S553L545-I549 HydrophobicContact CD2-CD1 3.89Å; L545-I549 VanDerWaalsContact O-CG1 3.28Å; L545-I549 WeakPolarHBondContact O-CG1 3.28Å; L545-I549 PolarHBondContact O-N 3.05Å; L546-I549 PolarHBondContact O-N 2.76Å; I549-A552 PolarHBondContact O-N 3.49Å; I549-S553 WeakPolarHBondContact O-CB 3.32Å; I549-S553 PolarHBondContact O-N 2.86Å; I549-S553 PolarHBondContact O-OG 2.9Å
550K84Confident80.8Confident127 Ų12789.9 Ų89.955%0.55245%0.448SS*.Hα-helixtrans-64.2-41.8177.2-173.7178-179.5177.60112.2L546 S547 L548 A552 S553 E554L546-K550 WeakPolarHBondContact O-CB 3.29Å; L546-K550 PolarHBondContact O-N 3.27Å; S547-K550 PolarHBondContact O-N 3.37Å; L548-K550 VanDerWaalsContact C-N 3.32Å; L548-K550 PolarHBondContact O-N 3.07Å; K550-A552 VanDerWaalsContact C-N 3.34Å; K550-S553 PolarHBondContact O-OG 3.48Å; K550-E554 WeakPolarHBondContact O-CB 2.98Å; K550-E554 VanDerWaalsContact O-CG 3.32Å; K550-E554 WeakPolarHBondContact O-CG 3.28Å; K550-E554 PolarHBondContact O-N 3.45Å
551I83.7Confident80.5Confident28 Ų2889.8 Ų89.814%0.14445%0.447CS..Hα-helixtrans-65.2-41.1176.2-67.8167.9000110.5Q17 A20 L21 S547 L548 A555Q17-I551 HydrophobicContact CB-CD1 4.36Å; Q17-I551 HydrophobicContact CG-CD1 4.36Å; Q17-I551 HydrophobicContact CG-CG1 4.16Å; A20-I551 HydrophobicContact CB-CD1 4.02Å; L21-I551 HydrophobicContact CD1-CG2 4.43Å; L21-I551 HydrophobicContact CG-CD1 4.14Å; S547-I551 VanDerWaalsContact O-CG1 3.26Å; S547-I551 WeakPolarHBondContact O-CG1 3.16Å; S547-I551 PolarHBondContact O-N 3.39Å; L548-I551 PolarHBondContact O-N 3.34Å; I551-A555 VanDerWaalsContact O-CB 3.31Å; I551-A555 WeakPolarHBondContact O-CB 3.33Å; I551-A555 PolarHBondContact O-N 3.25Å
552A81.6Confident79.9Confident44 Ų4494.6 Ų94.636%0.36446%0.461SS..Hα-helixtrans-67-40.9178.300000112.6L548 I549 K550 A555 R556L548-A552 WeakPolarHBondContact O-CB 3.5Å; L548-A552 PolarHBondContact O-N 3.45Å; I549-A552 PolarHBondContact O-N 3.49Å; K550-A552 VanDerWaalsContact C-N 3.34Å; A552-A555 PolarHBondContact O-N 2.85Å; A552-R556 WeakPolarHBondContact O-CB 3.4Å; A552-R556 WeakPolarHBondContact O-CG 3.49Å; A552-R556 PolarHBondContact O-N 3.08Å
553S81.7Confident78.7Confident58 Ų5897.4 Ų97.441%0.40647%0.469SS..Hα-helixtrans-66.6-43.9176.2670000111.5I549 K550 A555 R556 Q557I549-S553 WeakPolarHBondContact O-CB 3.32Å; I549-S553 PolarHBondContact O-N 2.86Å; I549-S553 PolarHBondContact O-OG 2.9Å; K550-S553 PolarHBondContact O-OG 3.48Å; S553-A555 VanDerWaalsContact C-N 3.32Å; S553-A555 PolarHBondContact O-N 3.4Å; S553-R556 PolarHBondContact O-N 3.3Å; S553-Q557 WeakPolarHBondContact O-CB 3.42Å; S553-Q557 PolarHBondContact O-N 2.88Å
554E82.6Confident77.6Confident31 Ų3197.2 Ų97.215%0.14547%0.474CS..Hα-helixtrans-62.1-38.1174.4-74.2-175-173.400112R13 Q17 K550 K558R13-E554 IonicContact CZ-OE1 3.81Å; R13-E554 IonicContact NH2-OE1 2.79Å; R13-E554 PolarHBondContact NH2-OE1 3.33Å; R13-E554 IonicContact NH2-OE2 3.99Å; Q17-E554 PolarHBondContact NE2-OE2 2.94Å; K550-E554 WeakPolarHBondContact O-CB 2.98Å; K550-E554 VanDerWaalsContact O-CG 3.32Å; K550-E554 WeakPolarHBondContact O-CG 3.28Å; K550-E554 PolarHBondContact O-N 3.45Å; E554-K558 WeakPolarHBondContact O-CB 3.42Å; E554-K558 WeakPolarHBondContact O-CG 3.21Å; E554-K558 PolarHBondContact O-N 3.14Å
555A79.1Confident76.4Confident47 Ų47104.1 Ų104.139%0.38850%0.502SS..Hα-helixtrans-67.8-41.2175.100000112.3I551 A552 S553 R559I551-A555 VanDerWaalsContact O-CB 3.31Å; I551-A555 WeakPolarHBondContact O-CB 3.33Å; I551-A555 PolarHBondContact O-N 3.25Å; A552-A555 PolarHBondContact O-N 2.85Å; S553-A555 VanDerWaalsContact C-N 3.32Å; S553-A555 PolarHBondContact O-N 3.4Å; A555-R559 WeakPolarHBondContact O-CG 3.02Å; A555-R559 PolarHBondContact O-N 2.83Å
556R78.4Confident74.9Confident182 Ų182108.1 Ų108.169%0.68752%0.515SS*.Hα-helixtrans-63.8-42.2174.7-76.4177.3-176177.52111.5A552 S553 R559 R560A552-R556 WeakPolarHBondContact O-CB 3.4Å; A552-R556 WeakPolarHBondContact O-CG 3.49Å; A552-R556 PolarHBondContact O-N 3.08Å; S553-R556 PolarHBondContact O-N 3.3Å; R556-R559 PolarHBondContact O-N 3.25Å; R556-R560 WeakPolarHBondContact O-CG 3.33Å; R556-R560 PolarHBondContact O-N 3.42Å
557Q78.5Confident73Confident116 Ų116112 Ų11254%0.54254%0.537SS..Hα-helixtrans-66.6-43.6178.5-167.2161.8-4.900111.7S553 R559 R560 E561S553-Q557 WeakPolarHBondContact O-CB 3.42Å; S553-Q557 PolarHBondContact O-N 2.88Å; Q557-R559 VanDerWaalsContact C-N 3.3Å; Q557-R559 PolarHBondContact O-N 3.08Å; Q557-R560 PolarHBondContact O-N 3.02Å; Q557-E561 WeakPolarHBondContact O-CG 3.41Å; Q557-E561 PolarHBondContact O-N 3.33Å
558K76.3Confident72.6Confident116 Ų116115.6 Ų115.650%0.50455%0.549SS..Hα-helixtrans-61.8-33.7171.8-76.7176.2-178.1169.40113.5E554 K562E554-K558 WeakPolarHBondContact O-CB 3.42Å; E554-K558 WeakPolarHBondContact O-CG 3.21Å; E554-K558 PolarHBondContact O-N 3.14Å; K558-K562 WeakPolarHBondContact O-CB 3.24Å; K558-K562 VanDerWaalsContact O-CG 3.32Å; K558-K562 WeakPolarHBondContact O-CG 3.43Å; K558-K562 PolarHBondContact O-N 3.27Å
559R71.7Confident72.1Confident187 Ų187118.8 Ų118.871%0.70656%0.563SS**Hα-helixtrans-67.7-43.7173.5-78.7-178.3179.2-172.60.7111.3A555 R556 Q557 K562 Q563A555-R559 WeakPolarHBondContact O-CG 3.02Å; A555-R559 PolarHBondContact O-N 2.83Å; R556-R559 PolarHBondContact O-N 3.25Å; Q557-R559 VanDerWaalsContact C-N 3.3Å; Q557-R559 PolarHBondContact O-N 3.08Å; R559-K562 PolarHBondContact O-N 3.01Å; R559-Q563 WeakPolarHBondContact O-CG 3.46Å; R559-Q563 PolarHBondContact O-N 3.42Å
560R73.3Confident71.3Confident185 Ų185120 Ų12070%0.69857%0.567SS**Hα-helixtrans-62.7-43175.2-72.3178.6176.1-176.9-2.4112.3R556 Q557 Q563 A564R556-R560 WeakPolarHBondContact O-CG 3.33Å; R556-R560 PolarHBondContact O-N 3.42Å; Q557-R560 PolarHBondContact O-N 3.02Å; R560-Q563 PolarHBondContact O-N 3.32Å; R560-A564 WeakPolarHBondContact O-CB 3.43Å; R560-A564 PolarHBondContact O-N 3.02Å
561E72.6Confident70.6Confident106 Ų106119.6 Ų119.650%0.49557%0.568SS.*Hα-helixtrans-67.8-32.8175.7-72171.3-171.800113.1Q557 K565Q557-E561 WeakPolarHBondContact O-CG 3.41Å; Q557-E561 PolarHBondContact O-N 3.33Å; E561-K565 WeakPolarHBondContact O-CB 3.45Å; E561-K565 PolarHBondContact O-N 2.98Å; E561-K565 VanDerWaalsContact O-N 3.17Å
562K68.3Low69.8Low160 Ų160125.3 Ų125.370%0.69659%0.594SS**Hα-helixtrans-72.3-31.9172.5-81.6-176.1177.3-171.40112.8K558 R559 K566K558-K562 WeakPolarHBondContact O-CB 3.24Å; K558-K562 VanDerWaalsContact O-CG 3.32Å; K558-K562 WeakPolarHBondContact O-CG 3.43Å; K558-K562 PolarHBondContact O-N 3.27Å; R559-K562 PolarHBondContact O-N 3.01Å; K562-K566 PolarHBondContact O-N 2.97Å
563Q59.4Low69Low129 Ų129130.7 Ų130.760%0.60361%0.61SS**Hα-helixtrans-69.7-46.9172.1-78.7173.3-42.200110.5R559 R560 K565 K566 D567R559-Q563 WeakPolarHBondContact O-CG 3.46Å; R559-Q563 PolarHBondContact O-N 3.42Å; R560-Q563 PolarHBondContact O-N 3.32Å; Q563-K565 PolarHBondContact O-N 2.79Å; Q563-K565 VanDerWaalsContact O-N 3.13Å; Q563-K566 PolarHBondContact O-N 2.91Å; Q563-D567 PolarHBondContact O-N 3.43Å
564A59.5Low68.1Low72 Ų72135.9 Ų135.960%0.59562%0.624SS**THydrogen-bonded Turntrans-68.3-7.9176.700000115.5R560R560-A564 WeakPolarHBondContact O-CB 3.43Å; R560-A564 PolarHBondContact O-N 3.02Å
565K56.8Low67Low187 Ų187144 Ų14481%0.81366%0.661SS**THydrogen-bonded Turntrans-102.5-7.1170.9-84.9-176.7173.6-179.80113.3E561 Q563E561-K565 WeakPolarHBondContact O-CB 3.45Å; E561-K565 PolarHBondContact O-N 2.98Å; E561-K565 VanDerWaalsContact O-N 3.17Å; Q563-K565 PolarHBondContact O-N 2.79Å; Q563-K565 VanDerWaalsContact O-N 3.13Å
566K51.8Low66Low193 Ų193152.1 Ų152.184%0.83968%0.684SS**THydrogen-bonded Turntrans-98.8-23.7178-116.1-172.8173.6-167.20112K562 Q563K562-K566 PolarHBondContact O-N 2.97Å; Q563-K566 PolarHBondContact O-N 2.91Å
567D45.1Very low64.8Low192 Ų192149.4 Ų149.4100%1.02768%0.683SS**  trans-81.70158.1-56.8-26.2000109.2Q563Q563-D567 PolarHBondContact O-N 3.43Å

Retrieved 567 of 567 residues in 358.4 ms (Link to these results)

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