A0A087XWA8_POEFO Loading...

Collagen alpha-1(XXI) chain

AlphaFold DB , UniProt , Accession A0A087XWA8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 961 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
1M49.7Very low53.1Low223 Ų223136 Ų136100%1.09969%0.686SS**  0-15.50-73.4-173.6-179.900115.6
2M44.1Very low54.5Low171 Ų171132.8 Ų132.884%0.84267%0.671SS**Hα-helixtrans-72.1-33.4-179.1-73.116497.300114.5C4 K5 M6M2-C4 PolarHBondContact O-N 3.41Å; M2-K5 PolarHBondContact O-N 3.43Å; M2-M6 PolarHBondContact O-N 3.39Å
3G43.8Very low56Low49 Ų49130.2 Ų130.251%0.50566%0.659SS.*Hα-helixtrans-59.7-42.7-179.200000115K5 M6 F7G3-K5 VanDerWaalsContact C-N 3.34Å; G3-K5 PolarHBondContact O-N 3.48Å; G3-M6 PolarHBondContact O-N 3.39Å; G3-F7 PolarHBondContact O-N 3.39Å; G3-F7 VanDerWaalsContact O-N 3.13Å
4C46.8Very low57.2Low104 Ų104134.9 Ų134.970%0.70367%0.665SS**Hα-helixtrans-65.2-33.9-179.5-61.70000113.1M2 S8M2-C4 PolarHBondContact O-N 3.41Å; C4-S8 WeakPolarHBondContact O-CB 3.36Å; C4-S8 PolarHBondContact O-N 3.37Å
5K47.1Very low58.2Low169 Ų169129.3 Ų129.374%0.73564%0.644SS**Hα-helixtrans-67-38.9175.4-76.1-171.8172.8-174.60111.5M2 G3 S8 M9M2-K5 PolarHBondContact O-N 3.43Å; G3-K5 VanDerWaalsContact C-N 3.34Å; G3-K5 PolarHBondContact O-N 3.48Å; K5-S8 PolarHBondContact O-N 3.42Å; K5-M9 WeakPolarHBondContact O-CB 3.48Å; K5-M9 PolarHBondContact O-N 3.22Å
6M49.5Very low59.3Low125 Ų125128.6 Ų128.662%0.61664%0.642SS**Hα-helixtrans-69-40.5-179.9-147.5170.681.400112.2M2 G3 M9 H10M2-M6 PolarHBondContact O-N 3.39Å; G3-M6 PolarHBondContact O-N 3.39Å; M6-M9 PolarHBondContact O-N 3.32Å; M6-H10 PolarHBondContact O-N 3.03Å
7F50.8Low60Low165 Ų165124.6 Ų124.672%0.72463%0.629SS**Hα-helixtrans-64.7-43.6172.4-94.1-91000112.9G3 M9 H10 W11G3-F7 PolarHBondContact O-N 3.39Å; G3-F7 VanDerWaalsContact O-N 3.13Å; F7-M9 PolarHBondContact O-N 3.44Å; F7-H10 PolarHBondContact O-N 3.41Å; F7-W11 WeakPolarHBondContact O-CB 3.36Å; F7-W11 PolarHBondContact O-N 3.13Å
8S57.5Low60.6Low64 Ų64125.8 Ų125.845%0.44863%0.629SS.*Hα-helixtrans-61.7-42.5176.5176.40000111.9C4 K5 W11 L12C4-S8 WeakPolarHBondContact O-CB 3.36Å; C4-S8 PolarHBondContact O-N 3.37Å; K5-S8 PolarHBondContact O-N 3.42Å; S8-W11 PolarHBondContact O-N 2.95Å; S8-L12 WeakPolarHBondContact O-CB 3.4Å; S8-L12 WeakPolarHBondContact O-CG 3.31Å; S8-L12 PolarHBondContact O-N 3.49Å
9M58.7Low61Low142 Ų142123.3 Ų123.370%0.762%0.621SS**Hα-helixtrans-69.5-37.1178.7-155.1171.185.300112.4K5 M6 F7 L13K5-M9 WeakPolarHBondContact O-CB 3.48Å; K5-M9 PolarHBondContact O-N 3.22Å; M6-M9 PolarHBondContact O-N 3.32Å; F7-M9 PolarHBondContact O-N 3.44Å; M9-L13 VanDerWaalsContact O-CB 3.29Å; M9-L13 WeakPolarHBondContact O-CB 3.35Å; M9-L13 PolarHBondContact O-N 3.39Å
10H65.4Low60.9Low114 Ų114122.1 Ų122.153%0.52862%0.616SS.*Hα-helixtrans-67.2-37.1172.2-103-46.3000113.1M6 F7 R14M6-H10 PolarHBondContact O-N 3.03Å; F7-H10 PolarHBondContact O-N 3.41Å; H10-R14 WeakPolarHBondContact O-CB 3.42Å; H10-R14 WeakPolarHBondContact O-CG 3.4Å; H10-R14 PolarHBondContact O-N 3.07Å
11W70.3Confident60.5Low170 Ų170121.2 Ų121.264%0.64461%0.613SS**Hα-helixtrans-68.3-45.5176-176.276000111.3F7 S8 L13 R14 C15F7-W11 WeakPolarHBondContact O-CB 3.36Å; F7-W11 PolarHBondContact O-N 3.13Å; S8-W11 PolarHBondContact O-N 2.95Å; W11-L13 PolarHBondContact O-N 3Å; W11-R14 PolarHBondContact O-N 3.49Å; W11-C15 WeakPolarHBondContact O-CB 3.4Å; W11-C15 PolarHBondContact O-N 2.89Å
12L70.6Confident60.6Low97 Ų97114 Ų11451%0.50858%0.581SS.*Hα-helixtrans-59.3-43.8172.9-75.2167.4000111.9S8 C15 L16S8-L12 WeakPolarHBondContact O-CB 3.4Å; S8-L12 WeakPolarHBondContact O-CG 3.31Å; S8-L12 PolarHBondContact O-N 3.49Å; L12-C15 PolarHBondContact O-N 3.39Å; L12-L16 WeakPolarHBondContact O-CB 3.36Å; L12-L16 PolarHBondContact O-N 3.49Å
13L73.7Confident60.6Low100 Ų100111 Ų11152%0.52457%0.568SS.*Hα-helixtrans-65.5-39.7176.9-166.771.3000111.7M9 W11 L16 C17M9-L13 VanDerWaalsContact O-CB 3.29Å; M9-L13 WeakPolarHBondContact O-CB 3.35Å; M9-L13 PolarHBondContact O-N 3.39Å; W11-L13 PolarHBondContact O-N 3Å; L13-L16 PolarHBondContact O-N 3.25Å; L13-C17 WeakPolarHBondContact O-CB 3.27Å; L13-C17 PolarHBondContact O-N 2.82Å; L13-C17 PolarHBondContact O-SG 2.8Å
14R72.8Confident60.8Low195 Ų195112.6 Ų112.674%0.73656%0.564SS**Hα-helixtrans-65.6-42.6174-78.9-176.8177.4-160.50112.3H10 W11 C17 F18H10-R14 WeakPolarHBondContact O-CB 3.42Å; H10-R14 WeakPolarHBondContact O-CG 3.4Å; H10-R14 PolarHBondContact O-N 3.07Å; W11-R14 PolarHBondContact O-N 3.49Å; R14-C17 PolarHBondContact O-N 3.35Å; R14-F18 VanDerWaalsContact O-CB 3.25Å; R14-F18 WeakPolarHBondContact O-CB 3.29Å; R14-F18 PolarHBondContact O-N 2.92Å
15C72.9Confident60.7Low52 Ų52110.9 Ų110.935%0.35155%0.553SS.*Hα-helixtrans-63.8-42.1173.5-760000111.5W11 L12 F18 V19W11-C15 WeakPolarHBondContact O-CB 3.4Å; W11-C15 PolarHBondContact O-N 2.89Å; L12-C15 PolarHBondContact O-N 3.39Å; C15-F18 PolarHBondContact O-N 2.91Å; C15-V19 WeakPolarHBondContact O-CB 3.44Å; C15-V19 VanDerWaalsContact O-CG2 3.27Å; C15-V19 WeakPolarHBondContact O-CG2 3.47Å; C15-V19 PolarHBondContact O-N 2.9Å
16L74.6Confident60.7Low117 Ų117105.5 Ų105.561%0.61354%0.54SS*.Hα-helixtrans-64.2-45.8176.8-154.691.2000111L12 L13 F18 V19 L20L12-L16 WeakPolarHBondContact O-CB 3.36Å; L12-L16 PolarHBondContact O-N 3.49Å; L13-L16 PolarHBondContact O-N 3.25Å; L16-F18 PolarHBondContact O-N 3.4Å; L16-V19 PolarHBondContact O-N 3.46Å; L16-L20 VanDerWaalsContact O-CB 3.31Å; L16-L20 WeakPolarHBondContact O-CB 3.39Å; L16-L20 PolarHBondContact O-N 3.32Å
17C71.3Confident60.5Low62 Ų62102.2 Ų102.242%0.41953%0.533SS..Hα-helixtrans-63.1-38.1174.3-72.20000112.5L13 R14 L20 L21L13-C17 WeakPolarHBondContact O-CB 3.27Å; L13-C17 PolarHBondContact O-N 2.82Å; L13-C17 PolarHBondContact O-SG 2.8Å; R14-C17 PolarHBondContact O-N 3.35Å; C17-L20 PolarHBondContact O-N 3.24Å; C17-L21 VanDerWaalsContact O-CB 3.28Å; C17-L21 WeakPolarHBondContact O-CB 3.38Å; C17-L21 WeakPolarHBondContact O-CD1 3.33Å; C17-L21 WeakPolarHBondContact O-CG 3.25Å; C17-L21 PolarHBondContact O-N 3.45Å
18F70.7Confident60.4Low145 Ų14599.1 Ų99.164%0.63652%0.521SS*.Hα-helixtrans-68.7-43.2177.1-163.5-91.3000111.2R14 C15 L16 L21 T22R14-F18 VanDerWaalsContact O-CB 3.25Å; R14-F18 WeakPolarHBondContact O-CB 3.29Å; R14-F18 PolarHBondContact O-N 2.92Å; C15-F18 PolarHBondContact O-N 2.91Å; L16-F18 PolarHBondContact O-N 3.4Å; F18-L21 PolarHBondContact O-N 3.27Å; F18-T22 HydrophobicContact CD1-CG2 4.12Å; F18-T22 HydrophobicContact CE1-CG2 3.94Å; F18-T22 WeakPolarHBondContact O-CG2 3.33Å; F18-T22 PolarHBondContact O-N 3.49Å; F18-T22 PolarHBondContact O-OG1 2.83Å
19V68.3Low60.3Low78 Ų78100.8 Ų100.847%0.47353%0.525SS..Hα-helixtrans-60.9-45.5172.2169.40000110.4C15 L16 L21 T22 L23C15-V19 WeakPolarHBondContact O-CB 3.44Å; C15-V19 VanDerWaalsContact O-CG2 3.27Å; C15-V19 WeakPolarHBondContact O-CG2 3.47Å; C15-V19 PolarHBondContact O-N 2.9Å; L16-V19 PolarHBondContact O-N 3.46Å; V19-L21 PolarHBondContact O-N 2.83Å; V19-T22 WeakPolarHBondContact CA-OG1 3.31Å; V19-T22 PolarHBondContact O-N 2.8Å; V19-T22 PolarHBondContact O-OG1 3.31Å; V19-L23 HydrophobicContact CG1-CD1 3.8Å; V19-L23 HydrophobicContact CG1-CG 4.38Å; V19-L23 WeakPolarHBondContact O-CB 3.28Å; V19-L23 VanDerWaalsContact O-CG 3.26Å; V19-L23 WeakPolarHBondContact O-CG 3.46Å; V19-L23 PolarHBondContact O-N 3.38Å
20L58.9Low60.3Low100 Ų10098.8 Ų98.852%0.52451%0.513SS..Hα-helixtrans-61.1-44.4176.1-144.481.4000111.4L16 C17 L23 I24L16-L20 VanDerWaalsContact O-CB 3.31Å; L16-L20 WeakPolarHBondContact O-CB 3.39Å; L16-L20 PolarHBondContact O-N 3.32Å; C17-L20 PolarHBondContact O-N 3.24Å; L20-L23 PolarHBondContact O-N 2.82Å; L20-I24 HydrophobicContact CD2-CD1 4.21Å; L20-I24 HydrophobicContact CG-CD1 4.12Å; L20-I24 WeakPolarHBondContact O-CB 3.36Å; L20-I24 WeakPolarHBondContact O-CD1 3.37Å; L20-I24 WeakPolarHBondContact O-CG1 3.15Å; L20-I24 PolarHBondContact O-N 3.48Å
21L52.7Low60.6Low103 Ų10395.9 Ų95.954%0.53950%0.502SS..Hα-helixtrans-60.9-44.8174.8-86.9157.2000111.6C17 F18 V19 L23 I24 S25C17-L21 VanDerWaalsContact O-CB 3.28Å; C17-L21 WeakPolarHBondContact O-CB 3.38Å; C17-L21 WeakPolarHBondContact O-CD1 3.33Å; C17-L21 WeakPolarHBondContact O-CG 3.25Å; C17-L21 PolarHBondContact O-N 3.45Å; F18-L21 PolarHBondContact O-N 3.27Å; V19-L21 PolarHBondContact O-N 2.83Å; L21-L23 VanDerWaalsContact C-N 3.33Å; L21-L23 PolarHBondContact O-N 2.8Å; L21-I24 PolarHBondContact O-N 3.41Å; L21-S25 WeakPolarHBondContact O-CB 3.42Å; L21-S25 PolarHBondContact O-N 2.84Å; L21-S25 PolarHBondContact O-OG 3.32Å
22T51.3Low61.2Low71 Ų7189.1 Ų89.144%0.43648%0.478SS..Hα-helixtrans-65.8-34.9175.854.20000112.7F18 V19 A26F18-T22 HydrophobicContact CD1-CG2 4.12Å; F18-T22 HydrophobicContact CE1-CG2 3.94Å; F18-T22 WeakPolarHBondContact O-CG2 3.33Å; F18-T22 PolarHBondContact O-N 3.49Å; F18-T22 PolarHBondContact O-OG1 2.83Å; V19-T22 WeakPolarHBondContact CA-OG1 3.31Å; V19-T22 PolarHBondContact O-N 2.8Å; V19-T22 PolarHBondContact O-OG1 3.31Å; T22-A26 WeakPolarHBondContact O-CB 3.42Å; T22-A26 PolarHBondContact O-N 3.44Å
23L45Very low61.9Low110 Ų11087.7 Ų87.758%0.57647%0.466SS*.Hα-helixtrans-70.7-36.6174.4-71.7168.3000111.8V19 L20 L21 A27V19-L23 HydrophobicContact CG1-CD1 3.8Å; V19-L23 HydrophobicContact CG1-CG 4.38Å; V19-L23 WeakPolarHBondContact O-CB 3.28Å; V19-L23 VanDerWaalsContact O-CG 3.26Å; V19-L23 WeakPolarHBondContact O-CG 3.46Å; V19-L23 PolarHBondContact O-N 3.38Å; L20-L23 PolarHBondContact O-N 2.82Å; L21-L23 VanDerWaalsContact C-N 3.33Å; L21-L23 PolarHBondContact O-N 2.8Å; L23-A27 VanDerWaalsContact O-CB 3.25Å; L23-A27 WeakPolarHBondContact O-CB 3.38Å; L23-A27 PolarHBondContact O-N 3.27Å
24I48.1Very low62.6Low82 Ų8283.5 Ų83.542%0.42145%0.445SS..Hα-helixtrans-69.7-46176-70.1161.3000110.4L20 L21 A27 Q28L20-I24 HydrophobicContact CD2-CD1 4.21Å; L20-I24 HydrophobicContact CG-CD1 4.12Å; L20-I24 WeakPolarHBondContact O-CB 3.36Å; L20-I24 WeakPolarHBondContact O-CD1 3.37Å; L20-I24 WeakPolarHBondContact O-CG1 3.15Å; L20-I24 PolarHBondContact O-N 3.48Å; L21-I24 PolarHBondContact O-N 3.41Å; I24-A27 PolarHBondContact O-N 2.8Å; I24-Q28 WeakPolarHBondContact O-CG 3.26Å; I24-Q28 PolarHBondContact O-N 3.17Å
25S45.4Very low63.4Low68 Ų6874.5 Ų74.548%0.47641%0.412SS..Hα-helixtrans-62.8-41.4174.2-67.50000112.2L21 A27 Q28 D29L21-S25 WeakPolarHBondContact O-CB 3.42Å; L21-S25 PolarHBondContact O-N 2.84Å; L21-S25 PolarHBondContact O-OG 3.32Å; S25-A27 VanDerWaalsContact C-N 3.33Å; S25-A27 PolarHBondContact O-N 2.8Å; S25-Q28 PolarHBondContact O-N 2.92Å; S25-D29 PolarHBondContact O-N 3.48Å; S25-D29 VanDerWaalsContact O-N 3.12Å
26A45.4Very low64.2Low55 Ų5577.9 Ų77.946%0.45542%0.417SS..Hα-helixtrans-64.4-36.2174.300000112.5T22 E30T22-A26 WeakPolarHBondContact O-CB 3.42Å; T22-A26 PolarHBondContact O-N 3.44Å; A26-E30 WeakPolarHBondContact O-CG 3.25Å; A26-E30 PolarHBondContact O-N 3.26Å
27A46.8Very low64.9Low56 Ų5672.7 Ų72.746%0.46339%0.391SS..Hα-helixtrans-72.7-26.1175.700000113.6L23 I24 S25 N31L23-A27 VanDerWaalsContact O-CB 3.25Å; L23-A27 WeakPolarHBondContact O-CB 3.38Å; L23-A27 PolarHBondContact O-N 3.27Å; I24-A27 PolarHBondContact O-N 2.8Å; S25-A27 VanDerWaalsContact C-N 3.33Å; S25-A27 PolarHBondContact O-N 2.8Å; A27-N31 PolarHBondContact O-ND2 2.86Å
28Q48.1Very low65.7Low101 Ų10169.8 Ų69.847%0.47237%0.371SS..Hα-helixtrans-71.3-43.3171.8-75.7176.5-27.300111.2I24 S25 E30 N31 F395I24-Q28 WeakPolarHBondContact O-CG 3.26Å; I24-Q28 PolarHBondContact O-N 3.17Å; S25-Q28 PolarHBondContact O-N 2.92Å; Q28-E30 PolarHBondContact O-N 3.2Å; Q28-N31 PolarHBondContact O-N 3.14Å; Q28-F395 WeakPolarHBondContact O-CE1 3.49Å
29D54.6Low66.6Low99 Ų9964.2 Ų64.253%0.52935%0.349SS..Hα-helixtrans-63.2-35-177.4-15518000113.2S25 N31 L32S25-D29 PolarHBondContact O-N 3.48Å; S25-D29 VanDerWaalsContact O-N 3.12Å; D29-N31 PolarHBondContact O-N 3.31Å; D29-L32 PolarHBondContact O-N 2.69Å
30E59.7Low67.8Low99 Ų9960.6 Ų60.646%0.46333%0.328SS..THydrogen-bonded Turntrans-60.5-19177.2-64.3-89.5138.200114.3A26 Q28 R33 K76A26-E30 WeakPolarHBondContact O-CG 3.25Å; A26-E30 PolarHBondContact O-N 3.26Å; Q28-E30 PolarHBondContact O-N 3.2Å; E30-R33 PolarHBondContact O-NH2 3.11Å; E30-K76 IonicContact OE1-NZ 3.41Å; E30-K76 PolarHBondContact OE1-NZ 3.17Å; E30-K76 IonicContact OE2-NZ 2.79Å; E30-K76 PolarHBondContact OE2-NZ 2.82Å
31N70.9Confident69.5Low53 Ų5355.9 Ų55.928%0.28330%0.303SS..THydrogen-bonded Turntrans-101.6-7.7-176.3-71.3-73.4000114.1A27 Q28 D29 F395 I396 N397A27-N31 PolarHBondContact O-ND2 2.86Å; Q28-N31 PolarHBondContact O-N 3.14Å; D29-N31 PolarHBondContact O-N 3.31Å; N31-F395 HydrophobicContact CB-CD1 4.29Å; N31-F395 WeakPolarHBondContact O-CA 3.34Å; N31-I396 PolarHBondContact O-N 3.15Å; N31-I396 VanDerWaalsContact O-N 3.11Å; N31-N397 HydrophobicContact CB-CB 4.3Å
32L82.5Confident71.6Confident29 Ų2951.1 Ų51.115%0.15228%0.278CS..EExtended strand (participates in β ladder)trans-73.4132.5173.8-176.863.4000109.7D29 T37 V392 F395D29-L32 PolarHBondContact O-N 2.69Å; L32-T37 PolarHBondContact O-OG1 3.06Å; L32-V392 HydrophobicContact CD2-CG1 4.33Å; L32-F395 HydrophobicContact CB-CD1 4.15Å; L32-F395 HydrophobicContact CB-CE1 3.81Å; L32-F395 HydrophobicContact CB-CZ 4.48Å; L32-F395 HydrophobicContact CD1-CD1 4.46Å; L32-F395 HydrophobicContact CD1-CE1 4.24Å; L32-F395 HydrophobicContact CD1-CE2 4.47Å; L32-F395 HydrophobicContact CD1-CZ 4.24Å
33R85.3Confident73.8Confident67 Ų6747.7 Ų47.725%0.25326%0.257SS..EExtended strand (participates in β ladder)trans-131.9121.7-179.6-60-66.8158.1154.6-10.2112.2E30 T37 P283 D284 G393 I394 I396E30-R33 PolarHBondContact O-NH2 3.11Å; R33-T37 WeakPolarHBondContact CA-OG1 3.41Å; R33-P283 WeakPolarHBondContact CD-O 3.28Å; R33-D284 IonicContact NH1-OD1 2.78Å; R33-D284 PolarHBondContact NH1-OD1 2.85Å; R33-G393 CarbonylContact O-C 3.58Å; R33-G393 VanDerWaalsContact O-CA 3.26Å; R33-G393 WeakPolarHBondContact O-CA 3.31Å; R33-I394 PolarHBondContact N-O 3.47Å; R33-I394 PolarHBondContact O-N 3.37Å; R33-I396 HydrophobicContact CB-CG2 3.83Å; R33-I396 HydrophobicContact CG-CB 4.25Å; R33-I396 HydrophobicContact CG-CD1 3.63Å; R33-I396 HydrophobicContact CG-CG1 3.64Å; R33-I396 HydrophobicContact CG-CG2 3.62Å
34S88.4Confident76.4Confident11 Ų1142.5 Ų42.58%0.07723%0.23CC..SBendtrans-149.3171.3166.6620000109.4R36 T37 A38 D284 V392S34-R36 PolarHBondContact O-N 2.76Å; S34-R36 PolarHBondContact OG-N 2.93Å; S34-T37 PolarHBondContact N-OG1 3.12Å; S34-T37 CarbonylContact O-C 3.57Å; S34-T37 PolarHBondContact O-N 2.65Å; S34-T37 PolarHBondContact O-OG1 3.5Å; S34-A38 PolarHBondContact O-N 2.76Å; S34-D284 CarbonylContact C-O 3.58Å; S34-D284 VanDerWaalsContact C-O 3.29Å; S34-D284 PolarHBondContact N-O 2.79Å; S34-V392 PolarHBondContact OG-O 2.73Å
35C90.4Very high78.8Confident6 Ų638.6 Ų38.64%0.04121%0.21CC..THydrogen-bonded Turntrans-48.3-32.1167.81730000113.6T37 A38 C219 V223 F286C35-T37 VanDerWaalsContact C-N 3.32Å; C35-T37 PolarHBondContact O-N 2.67Å; C35-A38 PolarHBondContact O-N 3.3Å; C35-C219 HydrophobicContact CB-CB 3.64Å; C35-C219 WeakPolarHBondContact CB-SG 3.47Å; C35-C219 WeakPolarHBondContact SG-CA 3.4Å; C35-C219 WeakPolarHBondContact SG-CB 3.45Å; C35-C219 CovalentContact SG-SG 2.02Å; C35-C219 PolarHBondContact SG-SG 3Å; C35-V223 HydrophobicContact CB-CG1 3.99Å; C35-F286 PolarHBondContact N-O 2.82Å
36R89.3Confident81.3Confident124 Ų12435.4 Ų35.447%0.46819%0.187SC..THydrogen-bonded Turntrans-67.7-32.7179.2-47.9-170.971.6-174.41.7112.3S34 T69 S70 N72S34-R36 PolarHBondContact O-N 2.76Å; S34-R36 PolarHBondContact OG-N 2.93Å; R36-T69 PolarHBondContact NH2-O 2.61Å; R36-S70 WeakPolarHBondContact CG-O 3.48Å; R36-S70 PolarHBondContact NE-O 3.36Å; R36-N72 VanDerWaalsContact O-CB 3.31Å; R36-N72 WeakPolarHBondContact O-CB 3.45Å; R36-N72 PolarHBondContact O-N 2.81Å
37T89.1Confident83.8Confident8 Ų832.9 Ų32.95%0.04917%0.166CC..THydrogen-bonded Turntrans-99.2-2.3-179.862.60000113.2L32 R33 S34 C35 F77L32-T37 PolarHBondContact O-OG1 3.06Å; R33-T37 WeakPolarHBondContact CA-OG1 3.41Å; S34-T37 PolarHBondContact N-OG1 3.12Å; S34-T37 CarbonylContact O-C 3.57Å; S34-T37 PolarHBondContact O-N 2.65Å; S34-T37 PolarHBondContact O-OG1 3.5Å; C35-T37 VanDerWaalsContact C-N 3.32Å; C35-T37 PolarHBondContact O-N 2.67Å; T37-F77 HydrophobicContact CG2-CE1 4.37Å; T37-F77 WeakPolarHBondContact O-CD1 3.03Å
38A89.6Confident86.2Confident1 Ų130.2 Ų30.21%0.00814%0.144CC..SBendtrans-66.2135.7-178.800000111S34 C35 C40 T78 V223 D284S34-A38 PolarHBondContact O-N 2.76Å; C35-A38 PolarHBondContact O-N 3.3Å; A38-C40 PolarHBondContact O-N 2.84Å; A38-T78 PolarHBondContact O-OG1 3.29Å; A38-V223 HydrophobicContact CB-CG1 3.9Å; A38-D284 HydrophobicContact CB-CB 4.01Å
39P89.5Confident88.5Confident27 Ų2725.4 Ų25.418%0.17512%0.121CC..  trans-75.2118.6178.130.4-33.4000110.9I142 D284P39-I142 HydrophobicContact CB-CD1 4.42Å; P39-I142 HydrophobicContact CB-CG1 4.16Å; P39-I142 HydrophobicContact CG-CG1 4.4Å; P39-D284 VanDerWaalsContact CD-OD1 3.28Å; P39-D284 WeakPolarHBondContact CD-OD1 3.34Å
40C92.6Very high90.3Very high3 Ų330 Ų302%0.0213%0.131CC..EExtended strand (participates in β ladder)trans-143.5137.9-178.1-175.90000111.8A38 T78 Q79 R137 S143 T222A38-C40 PolarHBondContact O-N 2.84Å; C40-T78 HydrophobicContact CB-CG2 4.45Å; C40-T78 CarbonylContact O-C 3.58Å; C40-T78 WeakPolarHBondContact O-CA 3.44Å; C40-Q79 PolarHBondContact O-N 2.99Å; C40-R137 PolarHBondContact O-NH2 3.46Å; C40-S143 WeakPolarHBondContact CA-O 3.25Å; C40-S143 PolarHBondContact SG-O 3.33Å; C40-S143 VanDerWaalsContact SG-O 3.32Å; C40-T222 HydrophobicContact CB-CG2 3.61Å; C40-T222 VanDerWaalsContact SG-CG2 3.57Å
41D95.3Very high91.9Very high0 Ų028.1 Ų28.10%013%0.13CC..EExtended strand (participates in β ladder)trans-88.7104.3162.5-77.4-2.7000107.6L95 F132 S135 R137 S143 R144 I145D41-L95 HydrophobicContact CB-CD1 4.26Å; D41-L95 HydrophobicContact CB-CD2 4.21Å; D41-F132 HydrophobicContact CB-CD1 4.4Å; D41-F132 HydrophobicContact CB-CE1 4.02Å; D41-S135 VanDerWaalsContact OD2-CB 3.27Å; D41-S135 WeakPolarHBondContact OD2-CB 3.39Å; D41-S135 PolarHBondContact OD2-OG 2.94Å; D41-R137 IonicContact OD1-CZ 2.67Å; D41-R137 VanDerWaalsContact OD1-CZ 3.26Å; D41-R137 IonicContact OD1-NE 3.53Å; D41-R137 PolarHBondContact OD1-NE 3Å; D41-R137 IonicContact OD1-NH2 3.02Å; D41-R137 PolarHBondContact OD1-NH2 3.45Å; D41-S143 PolarHBondContact N-O 2.94Å; D41-R144 HydrophobicContact CB-CG 4.24Å; D41-I145 PolarHBondContact O-N 3.28Å
42L96.6Very high93.1Very high3 Ų325.6 Ų25.62%0.01612%0.116CC..EExtended strand (participates in β ladder)trans-108.8111.2-178.1179.461000110.1F44 F71 T78 Q79 V80 G81 I145 V147 L218L42-F44 HydrophobicContact CD1-CE2 4.42Å; L42-F44 HydrophobicContact CD1-CZ 4.4Å; L42-F44 HydrophobicContact CD2-CE2 3.75Å; L42-F44 HydrophobicContact CD2-CZ 3.83Å; L42-F44 HydrophobicContact CG-CD2 4.45Å; L42-F44 HydrophobicContact CG-CE2 3.7Å; L42-F44 HydrophobicContact CG-CZ 4.04Å; L42-F71 HydrophobicContact CD2-CD2 4.4Å; L42-F71 HydrophobicContact CD2-CE2 4.12Å; L42-T78 HydrophobicContact CB-CG2 3.93Å; L42-T78 HydrophobicContact CD2-CG2 4.43Å; L42-Q79 PolarHBondContact N-O 3.05Å; L42-V80 CarbonylContact O-C 3.59Å; L42-V80 VanDerWaalsContact O-CA 3.24Å; L42-V80 WeakPolarHBondContact O-CA 3.37Å; L42-G81 PolarHBondContact O-N 2.7Å; L42-I145 WeakPolarHBondContact CA-O 3.4Å; L42-I145 HydrophobicContact CD1-CB 4.05Å; L42-I145 HydrophobicContact CD1-CG2 4.1Å; L42-V147 HydrophobicContact CD1-CG2 4.08Å; L42-L218 HydrophobicContact CD1-CD1 4.28Å; L42-L218 HydrophobicContact CD1-CD2 3.88Å; L42-L218 HydrophobicContact CD2-CD1 4.23Å
43V98.1Very high93.6Very high0 Ų029.6 Ų29.60%013%0.134CC..EExtended strand (participates in β ladder)trans-110.3132.6-179.4178.20000110.4I45 G81 L95 A127 L131 F132 I145 A146 V147V43-I45 HydrophobicContact CG1-CG1 4.13Å; V43-G81 WeakPolarHBondContact CA-O 3.42Å; V43-L95 HydrophobicContact CG2-CD1 4.02Å; V43-L95 HydrophobicContact CG2-CD2 4.02Å; V43-L95 HydrophobicContact CG2-CG 4.15Å; V43-A127 HydrophobicContact CG1-CB 4.39Å; V43-L131 HydrophobicContact CB-CD2 4.46Å; V43-L131 HydrophobicContact CG1-CD2 3.65Å; V43-L131 HydrophobicContact CG2-CB 4.47Å; V43-L131 HydrophobicContact CG2-CD2 3.91Å; V43-F132 HydrophobicContact CB-CE1 4.45Å; V43-F132 HydrophobicContact CB-CE2 3.74Å; V43-F132 HydrophobicContact CB-CZ 3.55Å; V43-F132 HydrophobicContact CG1-CE2 4.27Å; V43-F132 HydrophobicContact CG2-CD1 4.44Å; V43-F132 HydrophobicContact CG2-CD2 4.34Å; V43-F132 HydrophobicContact CG2-CE1 3.73Å; V43-F132 HydrophobicContact CG2-CE2 3.61Å; V43-F132 HydrophobicContact CG2-CZ 3.28Å; V43-I145 PolarHBondContact N-O 3.3Å; V43-A146 CarbonylContact O-C 3.6Å; V43-A146 VanDerWaalsContact O-CA 3.28Å; V43-A146 WeakPolarHBondContact O-CA 3.41Å; V43-V147 PolarHBondContact O-N 3.47Å
44F98.6Very high94.1Very high0 Ų031.2 Ų31.20%015%0.148CC..EExtended strand (participates in β ladder)trans-102.1131.2169.6-64.4-92.5000109.5L42 L46 W63 L64 I67 T68 V80 G81 V82 V83 V147L42-F44 HydrophobicContact CD1-CE2 4.42Å; L42-F44 HydrophobicContact CD1-CZ 4.4Å; L42-F44 HydrophobicContact CD2-CE2 3.75Å; L42-F44 HydrophobicContact CD2-CZ 3.83Å; L42-F44 HydrophobicContact CG-CD2 4.45Å; L42-F44 HydrophobicContact CG-CE2 3.7Å; L42-F44 HydrophobicContact CG-CZ 4.04Å; F44-L46 HydrophobicContact CB-CD1 4.49Å; F44-L46 HydrophobicContact CB-CD2 4.02Å; F44-L46 HydrophobicContact CB-CG 4.12Å; F44-W63 HydrophobicContact CD1-CH2 4.3Å; F44-W63 AromaticContact CD1-CZ3 3.93Å; F44-W63 HydrophobicContact CD1-CZ3 3.93Å; F44-W63 HydrophobicContact CE1-CH2 4.09Å; F44-W63 AromaticContact CE1-CZ3 3.96Å; F44-W63 HydrophobicContact CE1-CZ3 3.96Å; F44-L64 HydrophobicContact CB-CD1 3.72Å; F44-L64 HydrophobicContact CD1-CD1 3.64Å; F44-L64 HydrophobicContact CD2-CD1 3.32Å; F44-L64 HydrophobicContact CE1-CD1 4.03Å; F44-L64 HydrophobicContact CE2-CD1 3.75Å; F44-L64 HydrophobicContact CG-CD1 3.25Å; F44-L64 HydrophobicContact CZ-CD1 4.08Å; F44-I67 HydrophobicContact CE1-CG2 4.38Å; F44-I67 HydrophobicContact CZ-CG2 3.9Å; F44-T68 HydrophobicContact CE2-CG2 3.6Å; F44-T68 HydrophobicContact CZ-CG2 4.01Å; F44-V80 HydrophobicContact CD2-CG1 4Å; F44-V80 HydrophobicContact CE2-CG1 4.05Å; F44-G81 PolarHBondContact N-O 3.09Å; F44-V82 WeakPolarHBondContact O-CA 3.36Å; F44-V83 PolarHBondContact O-N 2.84Å; F44-V147 WeakPolarHBondContact CA-O 3.49Å; F44-V147 HydrophobicContact CD1-CB 3.89Å; F44-V147 HydrophobicContact CD1-CG1 4.28Å; F44-V147 HydrophobicContact CD1-CG2 4.43Å; F44-V147 HydrophobicContact CE1-CB 4.11Å; F44-V147 HydrophobicContact CE1-CG1 4.38Å; F44-V147 HydrophobicContact CE1-CG2 4.21Å
45I98.6Very high94.4Very high1 Ų135 Ų351%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-116102.6177.1-53.1-178.8000105.6V43 V83 Y85 A123 I124 A127 A146 V147 V148 L149V43-I45 HydrophobicContact CG1-CG1 4.13Å; I45-V83 WeakPolarHBondContact CA-O 3.49Å; I45-Y85 HydrophobicContact CG2-CD1 3.73Å; I45-Y85 HydrophobicContact CG2-CE1 3.82Å; I45-A123 HydrophobicContact CG2-CB 3.75Å; I45-I124 HydrophobicContact CD1-CG1 4.35Å; I45-A127 HydrophobicContact CD1-CB 3.41Å; I45-A127 VanDerWaalsContact CD1-CB 3.41Å; I45-A127 HydrophobicContact CG1-CB 3.97Å; I45-A146 HydrophobicContact CD1-CB 4.32Å; I45-V147 PolarHBondContact N-O 2.88Å; I45-V148 HydrophobicContact CB-CG2 4.33Å; I45-V148 HydrophobicContact CD1-CG2 4.22Å; I45-V148 WeakPolarHBondContact O-CA 3.26Å; I45-L149 PolarHBondContact O-N 3.13Å
46L98.4Very high94.7Very high1 Ų136.1 Ų36.11%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-110.3123.1-164.8-57.1178.3000110.6F44 G48 V60 L64 V82 V83 Q84 Y85 L149F44-L46 HydrophobicContact CB-CD1 4.49Å; F44-L46 HydrophobicContact CB-CD2 4.02Å; F44-L46 HydrophobicContact CB-CG 4.12Å; L46-G48 PolarHBondContact O-N 3.23Å; L46-V60 HydrophobicContact CD1-CG1 4.28Å; L46-V60 HydrophobicContact CD2-CG1 3.94Å; L46-L64 HydrophobicContact CD1-CD1 4.49Å; L46-L64 HydrophobicContact CD1-CD2 3.93Å; L46-V82 HydrophobicContact CD1-CG1 3.81Å; L46-V82 HydrophobicContact CG-CG1 4.43Å; L46-V83 PolarHBondContact N-O 2.93Å; L46-Q84 CarbonylContact O-C 3.55Å; L46-Q84 WeakPolarHBondContact O-CA 3.46Å; L46-Y85 VanDerWaalsContact C-CE1 3.46Å; L46-Y85 VanDerWaalsContact O-CD1 3.23Å; L46-Y85 WeakPolarHBondContact O-CD1 3.49Å; L46-Y85 PolarHBondContact O-N 3.45Å; L46-L149 HydrophobicContact CD2-CB 4.02Å; L46-L149 HydrophobicContact CD2-CD1 4.25Å
47D97.3Very high95Very high1 Ų130.3 Ų30.31%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-64.8126.2170.5-165.2-17000110.4S49 V52 Y85 T118 L149 T150 D151D47-S49 WeakPolarHBondContact OD1-CB 3.39Å; D47-S49 PolarHBondContact OD1-N 3.31Å; D47-S49 PolarHBondContact OD1-OG 2.91Å; D47-V52 HydrophobicContact CB-CG2 4.18Å; D47-Y85 HydrophobicContact CB-CE1 4.04Å; D47-Y85 HydrophobicContact CB-CE2 4.41Å; D47-Y85 VanDerWaalsContact N-CE1 3.33Å; D47-T118 VanDerWaalsContact OD2-CG2 3.24Å; D47-T118 WeakPolarHBondContact OD2-CG2 3.42Å; D47-L149 WeakPolarHBondContact CB-O 3.2Å; D47-L149 PolarHBondContact N-O 3.12Å; D47-T150 PolarHBondContact OD2-OG1 3.37Å; D47-D151 PolarHBondContact OD2-N 2.8Å
48G96.7Very high95.4Very high0 Ų033.8 Ų33.80%017%0.169CC..  trans-124.525173.700000111.6L46 Y85 Y113 G115L46-G48 PolarHBondContact O-N 3.23Å; G48-Y85 PolarHBondContact N-O 3.24Å; G48-Y113 WeakPolarHBondContact O-CE2 3.45Å; G48-G115 CarbonylContact O-C 3.32Å; G48-G115 WeakPolarHBondContact O-CA 3.21Å; G48-G115 PolarHBondContact O-N 3.01Å
49S96.1Very high95.7Very high0 Ų034.9 Ų34.90%018%0.175CC..SBendtrans-71.9171.7179.267.20000113.4D47 S51 V52 Y113 G116 N117 T118D47-S49 WeakPolarHBondContact OD1-CB 3.39Å; D47-S49 PolarHBondContact OD1-N 3.31Å; D47-S49 PolarHBondContact OD1-OG 2.91Å; S49-S51 VanDerWaalsContact C-N 3.28Å; S49-S51 PolarHBondContact O-N 3.4Å; S49-S51 PolarHBondContact OG-OG 3Å; S49-S51 VanDerWaalsContact OG-OG 3.05Å; S49-V52 WeakPolarHBondContact O-CB 3.45Å; S49-V52 PolarHBondContact O-N 3.15Å; S49-Y113 WeakPolarHBondContact O-CE2 3.31Å; S49-Y113 PolarHBondContact O-OH 3.43Å; S49-G116 WeakPolarHBondContact CB-O 3.39Å; S49-N117 WeakPolarHBondContact CB-O 3.47Å; S49-T118 WeakPolarHBondContact CB-OG1 3.31Å; S49-T118 PolarHBondContact OG-OG1 2.87Å
50W94Very high96Very high195 Ų19533.6 Ų33.674%0.73917%0.167SC*.THydrogen-bonded Turntrans-66.1-21.3-176.9-77-21.3000115.4V52 Y113 G116W50-V52 VanDerWaalsContact C-N 3.28Å; W50-Y113 WeakPolarHBondContact CA-OH 3.41Å; W50-G116 PolarHBondContact N-O 2.96Å
51S93.3Very high96.2Very high61 Ų6134 Ų3443%0.42717%0.168SC..THydrogen-bonded Turntrans-67.5-31.2173.737.20000112.4S49 E53 D151S49-S51 VanDerWaalsContact C-N 3.28Å; S49-S51 PolarHBondContact O-N 3.4Å; S49-S51 PolarHBondContact OG-OG 3Å; S49-S51 VanDerWaalsContact OG-OG 3.05Å; S51-E53 PolarHBondContact O-N 2.74Å; S51-D151 WeakPolarHBondContact CB-OD1 3.48Å; S51-D151 WeakPolarHBondContact CB-OD2 3.16Å; S51-D151 PolarHBondContact OG-OD1 2.91Å; S51-D151 PolarHBondContact OG-OD2 2.93Å
52V94.7Very high96.2Very high0 Ų041.3 Ų41.30%020%0.196CC..THydrogen-bonded Turntrans-65.2-39.4-175.9179.60000112.2D47 S49 W50 N56 F57 Y113 D151 Y204D47-V52 HydrophobicContact CB-CG2 4.18Å; S49-V52 WeakPolarHBondContact O-CB 3.45Å; S49-V52 PolarHBondContact O-N 3.15Å; W50-V52 VanDerWaalsContact C-N 3.28Å; V52-N56 WeakPolarHBondContact O-CB 3.25Å; V52-N56 PolarHBondContact O-ND2 3.44Å; V52-F57 HydrophobicContact CG1-CB 3.96Å; V52-F57 HydrophobicContact CG1-CD2 4.21Å; V52-Y113 HydrophobicContact CB-CE2 4.38Å; V52-D151 WeakPolarHBondContact CA-OD2 3.39Å; V52-D151 PolarHBondContact N-OD2 2.79Å; V52-Y204 WeakPolarHBondContact CA-OH 3.43Å; V52-Y204 HydrophobicContact CG1-CE1 4.28Å; V52-Y204 WeakPolarHBondContact CG1-OH 3.15Å; V52-Y204 WeakPolarHBondContact CG2-OH 3.43Å
53E94.4Very high96.2Very high112 Ų11241.3 Ų41.352%0.52320%0.196SC..  trans63.8150.2-167.4-43.9176145.900114.2S51 V55 N56 F57S51-E53 PolarHBondContact O-N 2.74Å; E53-V55 PolarHBondContact O-N 3.17Å; E53-N56 PolarHBondContact O-N 3.02Å; E53-N56 PolarHBondContact OE2-ND2 3.03Å; E53-F57 PolarHBondContact O-N 2.84Å
54D94.5Very high96.1Very high101 Ų10141.3 Ų41.354%0.5420%0.196SC..Hα-helixtrans-61.7-41.1-179.466.2-38.3000112.6N56 F57 E58 Y113D54-N56 VanDerWaalsContact C-N 3.34Å; D54-N56 PolarHBondContact O-N 3.44Å; D54-F57 PolarHBondContact O-N 3.49Å; D54-E58 PolarHBondContact O-N 2.86Å; D54-E58 VanDerWaalsContact O-N 3.11Å; D54-Y113 HydrophobicContact CB-CD1 3.78Å; D54-Y113 HydrophobicContact CB-CE1 4.18Å; D54-Y113 HydrophobicContact CB-CG 4.29Å
55V95.6Very high96Very high91 Ų9142.5 Ų42.555%0.55220%0.202SC*.Hα-helixtrans-63.4-37.1-179.8177.50000112.2E53E53-V55 PolarHBondContact O-N 3.17Å
56N95.8Very high95.8Very high30 Ų3046.2 Ų46.216%0.1622%0.223CC..Hα-helixtrans-84.3-30.3178.8-48-59.3000111.9V52 E53 D54 E58 I59 V60 Y204V52-N56 WeakPolarHBondContact O-CB 3.25Å; V52-N56 PolarHBondContact O-ND2 3.44Å; E53-N56 PolarHBondContact O-N 3.02Å; E53-N56 PolarHBondContact OE2-ND2 3.03Å; D54-N56 VanDerWaalsContact C-N 3.34Å; D54-N56 PolarHBondContact O-N 3.44Å; N56-E58 PolarHBondContact O-N 2.79Å; N56-I59 WeakPolarHBondContact O-CA 3.33Å; N56-I59 VanDerWaalsContact O-CB 3.28Å; N56-I59 WeakPolarHBondContact O-CB 3.34Å; N56-I59 PolarHBondContact O-N 2.92Å; N56-V60 PolarHBondContact O-N 3.48Å; N56-Y204 HydrophobicContact CB-CD1 3.87Å; N56-Y204 HydrophobicContact CB-CD2 3.44Å; N56-Y204 VanDerWaalsContact CB-CD2 3.44Å; N56-Y204 HydrophobicContact CB-CE1 4.12Å; N56-Y204 HydrophobicContact CB-CE2 3.71Å; N56-Y204 HydrophobicContact CB-CG 3.52Å
57F96.8Very high95.6Very high2 Ų246.2 Ų46.21%0.00922%0.222CC..Hα-helixtrans-59.1-35.9170.4-167.3-103000111.8V52 E53 D54 I59 V60 K61 Q84 I111 Y113V52-F57 HydrophobicContact CG1-CB 3.96Å; V52-F57 HydrophobicContact CG1-CD2 4.21Å; E53-F57 PolarHBondContact O-N 2.84Å; D54-F57 PolarHBondContact O-N 3.49Å; F57-I59 VanDerWaalsContact C-N 3.26Å; F57-I59 PolarHBondContact O-N 3.23Å; F57-V60 WeakPolarHBondContact O-CB 3.49Å; F57-V60 PolarHBondContact O-N 3.39Å; F57-V60 VanDerWaalsContact O-N 3.14Å; F57-K61 HydrophobicContact CD1-CD 4.25Å; F57-K61 HydrophobicContact CD1-CG 4.22Å; F57-K61 HydrophobicContact CE1-CD 3.94Å; F57-K61 HydrophobicContact CE1-CG 3.99Å; F57-K61 PolarHBondContact O-N 2.92Å; F57-Q84 HydrophobicContact CE2-CG 4.24Å; F57-Q84 VanDerWaalsContact CZ-CD 3.47Å; F57-Q84 HydrophobicContact CZ-CG 4.02Å; F57-Q84 VanDerWaalsContact CZ-OE1 3.22Å; F57-I111 HydrophobicContact CE1-CG2 3.93Å; F57-I111 HydrophobicContact CZ-CG2 3.95Å; F57-Y113 HydrophobicContact CB-CD2 3.89Å; F57-Y113 HydrophobicContact CB-CG 4.43Å; F57-Y113 HydrophobicContact CD1-CD2 4.34Å; F57-Y113 HydrophobicContact CD2-CD2 4.29Å; F57-Y113 AromaticContact CG-CD2 3.92Å; F57-Y113 HydrophobicContact CG-CD2 3.92Å
58E96.4Very high95.5Very high80 Ų8046.1 Ų46.137%0.37422%0.222SC..Hα-helixtrans-61.3-29.1169-80.1-64.1153.700113.9D54 N56 K61 R62D54-E58 PolarHBondContact O-N 2.86Å; D54-E58 VanDerWaalsContact O-N 3.11Å; N56-E58 PolarHBondContact O-N 2.79Å; E58-K61 WeakPolarHBondContact OE1-CE 3.17Å; E58-K61 IonicContact OE1-NZ 2.99Å; E58-K61 PolarHBondContact OE1-NZ 2.96Å; E58-K61 WeakPolarHBondContact OE2-CE 3.36Å; E58-K61 IonicContact OE2-NZ 3.34Å; E58-R62 WeakPolarHBondContact O-CG 3.26Å; E58-R62 PolarHBondContact O-N 3.04Å; E58-R62 PolarHBondContact O-NE 2.85Å
59I96.2Very high95.3Very high24 Ų2448.7 Ų48.712%0.12324%0.238CC..Hα-helixtrans-73.8-41.4172.4-54.5172.4000110.1N56 F57 K61 R62 W63 Y204 K205 I207N56-I59 WeakPolarHBondContact O-CA 3.33Å; N56-I59 VanDerWaalsContact O-CB 3.28Å; N56-I59 WeakPolarHBondContact O-CB 3.34Å; N56-I59 PolarHBondContact O-N 2.92Å; F57-I59 VanDerWaalsContact C-N 3.26Å; F57-I59 PolarHBondContact O-N 3.23Å; I59-K61 PolarHBondContact O-N 3.26Å; I59-R62 PolarHBondContact O-N 3.08Å; I59-W63 WeakPolarHBondContact O-CB 3.39Å; I59-W63 PolarHBondContact O-N 3.35Å; I59-Y204 VanDerWaalsContact CG2-O 3.29Å; I59-Y204 WeakPolarHBondContact CG2-O 3.26Å; I59-K205 HydrophobicContact CD1-CG 4.5Å; I59-I207 HydrophobicContact CG2-CG2 4.36Å
60V96.4Very high95Very high0 Ų049.6 Ų49.60%024%0.244CC..Hα-helixtrans-58.6-44.6173.5177.50000111.1L46 N56 F57 R62 W63 L64 L149 Y204L46-V60 HydrophobicContact CD1-CG1 4.28Å; L46-V60 HydrophobicContact CD2-CG1 3.94Å; N56-V60 PolarHBondContact O-N 3.48Å; F57-V60 WeakPolarHBondContact O-CB 3.49Å; F57-V60 PolarHBondContact O-N 3.39Å; F57-V60 VanDerWaalsContact O-N 3.14Å; V60-R62 PolarHBondContact O-N 3.42Å; V60-W63 WeakPolarHBondContact O-CB 3.31Å; V60-W63 PolarHBondContact O-N 2.92Å; V60-L64 WeakPolarHBondContact O-CB 3.31Å; V60-L64 PolarHBondContact O-N 3Å; V60-L149 HydrophobicContact CG1-CD1 3.91Å; V60-L149 HydrophobicContact CG1-CD2 4.11Å; V60-L149 HydrophobicContact CG2-CD1 4.44Å; V60-L149 HydrophobicContact CG2-CD2 3.94Å; V60-Y204 HydrophobicContact CG2-CD1 3.76Å; V60-Y204 HydrophobicContact CG2-CE1 3.61Å
61K96.3Very high95Very high12 Ų1240.5 Ų40.55%0.05221%0.21CC..Hα-helixtrans-60.7-40.5175-71-165.8-63.1179.60112.9F57 E58 I59 V65 M108 Q109 I111F57-K61 HydrophobicContact CD1-CD 4.25Å; F57-K61 HydrophobicContact CD1-CG 4.22Å; F57-K61 HydrophobicContact CE1-CD 3.94Å; F57-K61 HydrophobicContact CE1-CG 3.99Å; F57-K61 PolarHBondContact O-N 2.92Å; E58-K61 WeakPolarHBondContact OE1-CE 3.17Å; E58-K61 IonicContact OE1-NZ 2.99Å; E58-K61 PolarHBondContact OE1-NZ 2.96Å; E58-K61 WeakPolarHBondContact OE2-CE 3.36Å; E58-K61 IonicContact OE2-NZ 3.34Å; I59-K61 PolarHBondContact O-N 3.26Å; K61-V65 WeakPolarHBondContact O-CG2 3.38Å; K61-V65 PolarHBondContact O-N 2.75Å; K61-M108 WeakPolarHBondContact CD-O 3.34Å; K61-Q109 PolarHBondContact NZ-O 2.86Å; K61-Q109 VanDerWaalsContact NZ-O 3.1Å; K61-I111 HydrophobicContact CD-CB 4.05Å; K61-I111 VanDerWaalsContact CD-O 3.3Å; K61-I111 WeakPolarHBondContact CD-O 3.47Å; K61-I111 WeakPolarHBondContact CE-O 3.48Å; K61-I111 PolarHBondContact NZ-O 2.96Å
62R95.8Very high94.9Very high154 Ų15440.2 Ų40.258%0.58120%0.203SC*.Hα-helixtrans-67.1-38.6175.3-69.9172.5-138.3153.76.2112.4E58 I59 V60 N66E58-R62 WeakPolarHBondContact O-CG 3.26Å; E58-R62 PolarHBondContact O-N 3.04Å; E58-R62 PolarHBondContact O-NE 2.85Å; I59-R62 PolarHBondContact O-N 3.08Å; V60-R62 PolarHBondContact O-N 3.42Å; R62-N66 WeakPolarHBondContact O-CB 3.28Å; R62-N66 PolarHBondContact O-N 2.62Å
63W96Very high94.9Very high3 Ų340.8 Ų40.81%0.01121%0.206CC..Hα-helixtrans-65-44.3176173.392.2000111.8F44 I59 V60 V65 N66 I67 V147 L149 I175 I207 I211 I214F44-W63 HydrophobicContact CD1-CH2 4.3Å; F44-W63 AromaticContact CD1-CZ3 3.93Å; F44-W63 HydrophobicContact CD1-CZ3 3.93Å; F44-W63 HydrophobicContact CE1-CH2 4.09Å; F44-W63 AromaticContact CE1-CZ3 3.96Å; F44-W63 HydrophobicContact CE1-CZ3 3.96Å; I59-W63 WeakPolarHBondContact O-CB 3.39Å; I59-W63 PolarHBondContact O-N 3.35Å; V60-W63 WeakPolarHBondContact O-CB 3.31Å; V60-W63 PolarHBondContact O-N 2.92Å; W63-V65 PolarHBondContact O-N 3.22Å; W63-N66 PolarHBondContact O-N 3.26Å; W63-I67 HydrophobicContact CD2-CD1 3.92Å; W63-I67 HydrophobicContact CE3-CD1 4.36Å; W63-I67 HydrophobicContact CH2-CD1 3.71Å; W63-I67 HydrophobicContact CZ2-CD1 3.2Å; W63-I67 HydrophobicContact CZ3-CD1 4.26Å; W63-I67 PolarHBondContact O-N 2.83Å; W63-V147 HydrophobicContact CH2-CG1 4.04Å; W63-L149 HydrophobicContact CD2-CD1 4.42Å; W63-L149 HydrophobicContact CE3-CD1 3.82Å; W63-L149 HydrophobicContact CH2-CD1 3.96Å; W63-L149 HydrophobicContact CZ3-CD1 3.58Å; W63-I175 HydrophobicContact CH2-CD1 3.41Å; W63-I175 VanDerWaalsContact CH2-CD1 3.41Å; W63-I175 HydrophobicContact CZ2-CD1 3.4Å; W63-I175 VanDerWaalsContact CZ2-CD1 3.4Å; W63-I207 HydrophobicContact CB-CG2 4.15Å; W63-I207 VanDerWaalsContact CD1-O 3.24Å; W63-I207 HydrophobicContact CD2-CD1 4.18Å; W63-I207 HydrophobicContact CG-CD1 4.31Å; W63-I207 HydrophobicContact CG-CG1 4.43Å; W63-I207 HydrophobicContact CG-CG2 4Å; W63-I207 PolarHBondContact NE1-O 3.43Å; W63-I211 VanDerWaalsContact CD1-CG1 3.42Å; W63-I211 HydrophobicContact CG-CG1 4.49Å; W63-I214 HydrophobicContact CZ2-CD1 3.84Å
64L96.8Very high94.7Very high0 Ų035.8 Ų35.80%019%0.185CC..Hα-helixtrans-57-49173.717671.7000111.8F44 L46 V60 N66 T68 V82 M108F44-L64 HydrophobicContact CB-CD1 3.72Å; F44-L64 HydrophobicContact CD1-CD1 3.64Å; F44-L64 HydrophobicContact CD2-CD1 3.32Å; F44-L64 HydrophobicContact CE1-CD1 4.03Å; F44-L64 HydrophobicContact CE2-CD1 3.75Å; F44-L64 HydrophobicContact CG-CD1 3.25Å; F44-L64 HydrophobicContact CZ-CD1 4.08Å; L46-L64 HydrophobicContact CD1-CD1 4.49Å; L46-L64 HydrophobicContact CD1-CD2 3.93Å; V60-L64 WeakPolarHBondContact O-CB 3.31Å; V60-L64 PolarHBondContact O-N 3Å; L64-N66 VanDerWaalsContact C-N 3.35Å; L64-N66 PolarHBondContact O-N 3.21Å; L64-T68 HydrophobicContact CD1-CG2 4.47Å; L64-T68 WeakPolarHBondContact O-CB 3.39Å; L64-T68 VanDerWaalsContact O-CG2 3.3Å; L64-T68 WeakPolarHBondContact O-CG2 3.3Å; L64-T68 PolarHBondContact O-N 2.66Å; L64-T68 PolarHBondContact O-OG1 2.99Å; L64-V82 HydrophobicContact CD1-CG2 4.42Å; L64-V82 HydrophobicContact CD2-CG1 4.46Å; L64-V82 HydrophobicContact CD2-CG2 4.16Å; L64-M108 HydrophobicContact CD1-CE 4.18Å; L64-M108 HydrophobicContact CD2-CB 4.06Å; L64-M108 HydrophobicContact CD2-CE 4.11Å; L64-M108 HydrophobicContact CD2-CG 3.7Å; L64-M108 HydrophobicContact CD2-SD 3.9Å; L64-M108 HydrophobicContact CG-CE 3.98Å; L64-M108 HydrophobicContact CG-CG 4.3Å; L64-M108 HydrophobicContact CG-SD 3.82Å
65V96.3Very high94.3Very high24 Ų2437.3 Ų37.315%0.14519%0.189CC..Hα-helixtrans-59.4-45174.7163.10000111K61 W63 T68 T69 I105 M108K61-V65 WeakPolarHBondContact O-CG2 3.38Å; K61-V65 PolarHBondContact O-N 2.75Å; W63-V65 PolarHBondContact O-N 3.22Å; V65-T68 PolarHBondContact O-N 3.1Å; V65-T68 PolarHBondContact O-OG1 3.39Å; V65-T69 HydrophobicContact CG1-CG2 4.48Å; V65-T69 WeakPolarHBondContact O-CG2 3.47Å; V65-T69 PolarHBondContact O-N 3.12Å; V65-T69 VanDerWaalsContact O-N 3.1Å; V65-I105 HydrophobicContact CG1-CD1 4.44Å; V65-I105 HydrophobicContact CG1-CG1 4.1Å; V65-I105 HydrophobicContact CG1-CG2 3.9Å; V65-I105 HydrophobicContact CG2-CG2 4.07Å; V65-M108 HydrophobicContact CG2-CB 3.94Å; V65-M108 HydrophobicContact CG2-SD 4.23Å
66N94.9Very high93.8Very high80 Ų8038.9 Ų38.943%0.42819%0.188SC..Hα-helixtrans-61.7-52.1-178.5-167.6-30.2000111.6R62 W63 L64 T68 T69 I211R62-N66 WeakPolarHBondContact O-CB 3.28Å; R62-N66 PolarHBondContact O-N 2.62Å; W63-N66 PolarHBondContact O-N 3.26Å; L64-N66 VanDerWaalsContact C-N 3.35Å; L64-N66 PolarHBondContact O-N 3.21Å; N66-T68 VanDerWaalsContact C-N 3.35Å; N66-T68 PolarHBondContact O-N 3.38Å; N66-T69 PolarHBondContact O-N 2.93Å; N66-T69 PolarHBondContact O-OG1 3.23Å; N66-I211 HydrophobicContact CB-CD1 4.07Å
67I94.3Very high93.6Very high0 Ų040.3 Ų40.30%019%0.193CC..Hα-helixtrans-58.3-46.6177.6-70.7179.5000111.3F44 W63 T69 S70 F71 I211 I214 L218F44-I67 HydrophobicContact CE1-CG2 4.38Å; F44-I67 HydrophobicContact CZ-CG2 3.9Å; W63-I67 HydrophobicContact CD2-CD1 3.92Å; W63-I67 HydrophobicContact CE3-CD1 4.36Å; W63-I67 HydrophobicContact CH2-CD1 3.71Å; W63-I67 HydrophobicContact CZ2-CD1 3.2Å; W63-I67 HydrophobicContact CZ3-CD1 4.26Å; W63-I67 PolarHBondContact O-N 2.83Å; I67-T69 VanDerWaalsContact C-N 3.32Å; I67-T69 PolarHBondContact O-N 3.49Å; I67-S70 WeakPolarHBondContact O-CB 3.41Å; I67-S70 PolarHBondContact O-N 3.05Å; I67-S70 VanDerWaalsContact O-N 3.09Å; I67-S70 PolarHBondContact O-OG 3.46Å; I67-F71 HydrophobicContact CG2-CE2 4.11Å; I67-F71 WeakPolarHBondContact O-CD2 3.39Å; I67-F71 WeakPolarHBondContact O-CE2 3.4Å; I67-I211 HydrophobicContact CG1-CG1 4.36Å; I67-I211 HydrophobicContact CG1-CG2 4.07Å; I67-I214 HydrophobicContact CD1-CB 4.46Å; I67-I214 HydrophobicContact CD1-CG2 3.95Å; I67-L218 HydrophobicContact CG2-CD1 3.99Å
68T94.3Very high93.5Very high0 Ų040.2 Ų40.20%019%0.193CC..Hα-helixtrans-67.7-29.5-174.452.40000113.4F44 L64 V65 N66 S70 F71 V80 N101 M108F44-T68 HydrophobicContact CE2-CG2 3.6Å; F44-T68 HydrophobicContact CZ-CG2 4.01Å; L64-T68 HydrophobicContact CD1-CG2 4.47Å; L64-T68 WeakPolarHBondContact O-CB 3.39Å; L64-T68 VanDerWaalsContact O-CG2 3.3Å; L64-T68 WeakPolarHBondContact O-CG2 3.3Å; L64-T68 PolarHBondContact O-N 2.66Å; L64-T68 PolarHBondContact O-OG1 2.99Å; V65-T68 PolarHBondContact O-N 3.1Å; V65-T68 PolarHBondContact O-OG1 3.39Å; N66-T68 VanDerWaalsContact C-N 3.35Å; N66-T68 PolarHBondContact O-N 3.38Å; T68-S70 PolarHBondContact O-N 3.11Å; T68-S70 VanDerWaalsContact O-N 3.11Å; T68-F71 PolarHBondContact O-N 3.4Å; T68-F71 VanDerWaalsContact O-N 3.12Å; T68-V80 HydrophobicContact CG2-CG1 4.07Å; T68-V80 HydrophobicContact CG2-CG2 4.01Å; T68-N101 PolarHBondContact O-OD1 3.32Å; T68-M108 HydrophobicContact CG2-CE 3.82Å; T68-M108 HydrophobicContact CG2-SD 4.47Å
69T92.6Very high93.4Very high54 Ų5437 Ų3733%0.33118%0.177SC..Hα-helixtrans-62.6-16.3172.864.40000114.6R36 V65 N66 I67 F71 I105R36-T69 PolarHBondContact NH2-O 2.61Å; V65-T69 HydrophobicContact CG1-CG2 4.48Å; V65-T69 WeakPolarHBondContact O-CG2 3.47Å; V65-T69 PolarHBondContact O-N 3.12Å; V65-T69 VanDerWaalsContact O-N 3.1Å; N66-T69 PolarHBondContact O-N 2.93Å; N66-T69 PolarHBondContact O-OG1 3.23Å; I67-T69 VanDerWaalsContact C-N 3.32Å; I67-T69 PolarHBondContact O-N 3.49Å; T69-F71 PolarHBondContact O-N 2.9Å; T69-I105 HydrophobicContact CG2-CD1 3.58Å; T69-I105 HydrophobicContact CG2-CG1 4.4Å
70S90.1Very high93.4Very high19 Ų1936 Ų3613%0.13317%0.173CC..THydrogen-bonded Turntrans-67.9-25.1175.5-59.60000112.7R36 I67 T68 R215R36-S70 WeakPolarHBondContact CG-O 3.48Å; R36-S70 PolarHBondContact NE-O 3.36Å; I67-S70 WeakPolarHBondContact O-CB 3.41Å; I67-S70 PolarHBondContact O-N 3.05Å; I67-S70 VanDerWaalsContact O-N 3.09Å; I67-S70 PolarHBondContact O-OG 3.46Å; T68-S70 PolarHBondContact O-N 3.11Å; T68-S70 VanDerWaalsContact O-N 3.11Å; S70-R215 WeakPolarHBondContact OG-CD 3.32Å
71F92.6Very high93.5Very high4 Ų436 Ų362%0.01817%0.173CC..SBendtrans-106.7152.1-173.1-53.3-85.4000112.1L42 I67 T68 T69 I73 T78 N101 L218L42-F71 HydrophobicContact CD2-CD2 4.4Å; L42-F71 HydrophobicContact CD2-CE2 4.12Å; I67-F71 HydrophobicContact CG2-CE2 4.11Å; I67-F71 WeakPolarHBondContact O-CD2 3.39Å; I67-F71 WeakPolarHBondContact O-CE2 3.4Å; T68-F71 PolarHBondContact O-N 3.4Å; T68-F71 VanDerWaalsContact O-N 3.12Å; T69-F71 PolarHBondContact O-N 2.9Å; F71-I73 HydrophobicContact CB-CD1 4.4Å; F71-T78 HydrophobicContact CB-CG2 4.32Å; F71-N101 PolarHBondContact O-ND2 2.96Å; F71-L218 HydrophobicContact CE2-CD1 4.26Å; F71-L218 HydrophobicContact CZ-CB 4.03Å; F71-L218 HydrophobicContact CZ-CD1 4.01Å
72N92.1Very high93.6Very high54 Ų5435.5 Ų35.529%0.28917%0.171SC..  trans-77.6128.2165.5-69.37.9000108.1R36 F77 T78R36-N72 VanDerWaalsContact O-CB 3.31Å; R36-N72 WeakPolarHBondContact O-CB 3.45Å; R36-N72 PolarHBondContact O-N 2.81Å; N72-F77 HydrophobicContact CB-CB 4.08Å; N72-F77 HydrophobicContact CB-CD2 3.82Å; N72-F77 HydrophobicContact CB-CE2 4.35Å; N72-F77 HydrophobicContact CB-CG 3.92Å; N72-F77 WeakPolarHBondContact O-CB 3.48Å; N72-T78 PolarHBondContact O-N 3.34Å
73I94Very high93.7Very high13 Ų1328.1 Ų28.17%0.06714%0.143CC..BIsolated β-bridgetrans-100.1125.9-177.2-56.4-57.8000109.4F71 T78 V80 F98 S99 N101 L104F71-I73 HydrophobicContact CB-CD1 4.4Å; I73-T78 WeakPolarHBondContact CA-O 3.39Å; I73-T78 HydrophobicContact CD1-CG2 4.34Å; I73-V80 HydrophobicContact CD1-CG2 3.69Å; I73-F98 WeakPolarHBondContact CG2-O 3.39Å; I73-S99 CarbonylContact O-C 3.59Å; I73-S99 VanDerWaalsContact O-C 3.32Å; I73-S99 VanDerWaalsContact O-O 3.1Å; I73-N101 WeakPolarHBondContact CG1-OD1 3.49Å; I73-L104 HydrophobicContact CD1-CD2 3.81Å; I73-L104 HydrophobicContact CG1-CD2 3.77Å; I73-L104 HydrophobicContact CG2-CD2 4.12Å
74G90.6Very high93.8Very high7 Ų728 Ų287%0.07214%0.143CC..SBendtrans167.5169.6179.200000113.5K76 F77 T78G74-K76 VanDerWaalsContact C-N 3.26Å; G74-K76 PolarHBondContact O-N 2.92Å; G74-F77 CarbonylContact O-C 3.53Å; G74-F77 PolarHBondContact O-N 3.35Å; G74-T78 PolarHBondContact N-O 2.82Å
75Q87.1Confident93.9Very high132 Ų13228 Ų2862%0.61714%0.143SC*.THydrogen-bonded Turntrans-60.5-34.8-177.4-72-157.6-12.100113.5R137Q75-R137 PolarHBondContact O-NH1 2.85Å
76K85.1Confident93.8Very high125 Ų12527.2 Ų27.254%0.54314%0.138SC..THydrogen-bonded Turntrans-82.6-12175.6-65.9-170176.6-173.40114.6E30 G74E30-K76 IonicContact OE1-NZ 3.41Å; E30-K76 PolarHBondContact OE1-NZ 3.17Å; E30-K76 IonicContact OE2-NZ 2.79Å; E30-K76 PolarHBondContact OE2-NZ 2.82Å; G74-K76 VanDerWaalsContact C-N 3.26Å; G74-K76 PolarHBondContact O-N 2.92Å
77F90.9Very high93.8Very high59 Ų5925.6 Ų25.626%0.25913%0.129SC..SBendtrans-120.7-145.5-171.6-54.3-52.9000110.1T37 N72 G74 R137T37-F77 HydrophobicContact CG2-CE1 4.37Å; T37-F77 WeakPolarHBondContact O-CD1 3.03Å; N72-F77 HydrophobicContact CB-CB 4.08Å; N72-F77 HydrophobicContact CB-CD2 3.82Å; N72-F77 HydrophobicContact CB-CE2 4.35Å; N72-F77 HydrophobicContact CB-CG 3.92Å; N72-F77 WeakPolarHBondContact O-CB 3.48Å; G74-F77 CarbonylContact O-C 3.53Å; G74-F77 PolarHBondContact O-N 3.35Å; F77-R137 PolarHBondContact O-NH1 3.19Å
78T93.8Very high93.9Very high1 Ų130.5 Ų30.51%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-69.6133.6172.7-61.60000110.5A38 C40 L42 F71 N72 I73 G74 V80A38-T78 PolarHBondContact O-OG1 3.29Å; C40-T78 HydrophobicContact CB-CG2 4.45Å; C40-T78 CarbonylContact O-C 3.58Å; C40-T78 WeakPolarHBondContact O-CA 3.44Å; L42-T78 HydrophobicContact CB-CG2 3.93Å; L42-T78 HydrophobicContact CD2-CG2 4.43Å; F71-T78 HydrophobicContact CB-CG2 4.32Å; N72-T78 PolarHBondContact O-N 3.34Å; I73-T78 WeakPolarHBondContact CA-O 3.39Å; I73-T78 HydrophobicContact CD1-CG2 4.34Å; G74-T78 PolarHBondContact N-O 2.82Å; T78-V80 HydrophobicContact CG2-CG2 3.96Å
79Q94.9Very high94Very high11 Ų1131.5 Ų31.55%0.05116%0.162CC..EExtended strand (participates in β ladder)trans-108.1129.4164.6-67.4-179.218.900107.4C40 L42 L95 G96 R137C40-Q79 PolarHBondContact O-N 2.99Å; L42-Q79 PolarHBondContact N-O 3.05Å; Q79-L95 HydrophobicContact CB-CD2 4.08Å; Q79-L95 WeakPolarHBondContact O-CD2 3.32Å; Q79-G96 VanDerWaalsContact OE1-N 3.1Å; Q79-R137 VanDerWaalsContact CD-CZ 3.47Å
80V96.9Very high94.2Very high5 Ų532.6 Ų32.63%0.0317%0.165CC..EExtended strand (participates in β ladder)trans-104.8132.5-179.4178.80000110.4L42 F44 T68 I73 T78 V82 L104 M108L42-V80 CarbonylContact O-C 3.59Å; L42-V80 VanDerWaalsContact O-CA 3.24Å; L42-V80 WeakPolarHBondContact O-CA 3.37Å; F44-V80 HydrophobicContact CD2-CG1 4Å; F44-V80 HydrophobicContact CE2-CG1 4.05Å; T68-V80 HydrophobicContact CG2-CG1 4.07Å; T68-V80 HydrophobicContact CG2-CG2 4.01Å; I73-V80 HydrophobicContact CD1-CG2 3.69Å; T78-V80 HydrophobicContact CG2-CG2 3.96Å; V80-V82 HydrophobicContact CG1-CG2 4.34Å; V80-L104 HydrophobicContact CB-CD1 4.19Å; V80-L104 HydrophobicContact CB-CD2 3.87Å; V80-L104 HydrophobicContact CG1-CD1 4.46Å; V80-L104 HydrophobicContact CG1-CD2 4.4Å; V80-L104 HydrophobicContact CG2-CD2 3.94Å; V80-M108 HydrophobicContact CB-CE 4.45Å; V80-M108 HydrophobicContact CG1-CE 3.55Å
81G97.1Very high94.6Very high0 Ų034.7 Ų34.70%017%0.174CC..EExtended strand (participates in β ladder)trans-116.3152.2168.100000111.2L42 V43 F44 I93L42-G81 PolarHBondContact O-N 2.7Å; V43-G81 WeakPolarHBondContact CA-O 3.42Å; F44-G81 PolarHBondContact N-O 3.09Å; G81-I93 CarbonylContact C-O 3.58Å; G81-I93 WeakPolarHBondContact CA-O 3.25Å
82V98.5Very high94.8Very high0 Ų036.9 Ų36.90%018%0.184CC..EExtended strand (participates in β ladder)trans-137126.9177.1-174.80000109.5F44 L46 L64 V80 L91 E92 I93 M108 I111F44-V82 WeakPolarHBondContact O-CA 3.36Å; L46-V82 HydrophobicContact CD1-CG1 3.81Å; L46-V82 HydrophobicContact CG-CG1 4.43Å; L64-V82 HydrophobicContact CD1-CG2 4.42Å; L64-V82 HydrophobicContact CD2-CG1 4.46Å; L64-V82 HydrophobicContact CD2-CG2 4.16Å; V80-V82 HydrophobicContact CG1-CG2 4.34Å; V82-L91 WeakPolarHBondContact O-CD1 3.42Å; V82-E92 HydrophobicContact CB-CB 4.25Å; V82-E92 HydrophobicContact CG1-CB 4.26Å; V82-E92 HydrophobicContact CG1-CG 4.46Å; V82-E92 PolarHBondContact O-N 3.09Å; V82-E92 VanDerWaalsContact O-N 3.15Å; V82-I93 HydrophobicContact CB-CB 3.94Å; V82-I93 HydrophobicContact CB-CD1 4.38Å; V82-I93 HydrophobicContact CB-CG1 4.16Å; V82-I93 HydrophobicContact CG2-CB 4.05Å; V82-I93 HydrophobicContact CG2-CD1 3.92Å; V82-I93 HydrophobicContact CG2-CG1 4.2Å; V82-I93 PolarHBondContact N-O 3.06Å; V82-I93 PolarHBondContact O-N 2.93Å; V82-I93 VanDerWaalsContact O-N 3.11Å; V82-M108 HydrophobicContact CG2-CE 3.96Å; V82-I111 HydrophobicContact CB-CD1 4.44Å; V82-I111 HydrophobicContact CG1-CD1 3.84Å
83V98.4Very high95Very high0 Ų034.4 Ų34.40%017%0.171CC..EExtended strand (participates in β ladder)trans-115.8124169.2175.80000107F44 I45 L46 P89 I90 F126 A127 L131F44-V83 PolarHBondContact O-N 2.84Å; I45-V83 WeakPolarHBondContact CA-O 3.49Å; L46-V83 PolarHBondContact N-O 2.93Å; V83-P89 HydrophobicContact CG1-CB 3.88Å; V83-I90 WeakPolarHBondContact CA-O 3.45Å; V83-F126 HydrophobicContact CG1-CD1 3.97Å; V83-F126 HydrophobicContact CG1-CE1 4.31Å; V83-F126 HydrophobicContact CG2-CD1 4.11Å; V83-F126 HydrophobicContact CG2-CE1 4.15Å; V83-A127 HydrophobicContact CG2-CB 4.17Å; V83-L131 HydrophobicContact CG2-CD1 4.08Å; V83-L131 HydrophobicContact CG2-CD2 3.84Å
84Q98.3Very high95.1Very high1 Ų136 Ų361%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-93.1147.4164.7-170.8178.8-177.800108L46 F57 P89 I90 E92 I111 D112 M114L46-Q84 CarbonylContact O-C 3.55Å; L46-Q84 WeakPolarHBondContact O-CA 3.46Å; F57-Q84 HydrophobicContact CE2-CG 4.24Å; F57-Q84 VanDerWaalsContact CZ-CD 3.47Å; F57-Q84 HydrophobicContact CZ-CG 4.02Å; F57-Q84 VanDerWaalsContact CZ-OE1 3.22Å; Q84-P89 CarbonylContact O-C 3.59Å; Q84-P89 WeakPolarHBondContact O-CA 3.22Å; Q84-I90 PolarHBondContact N-O 2.93Å; Q84-I90 PolarHBondContact O-N 2.82Å; Q84-E92 HydrophobicContact CB-CG 3.92Å; Q84-E92 PolarHBondContact NE2-OE1 2.82Å; Q84-I111 VanDerWaalsContact NE2-CG2 3.32Å; Q84-D112 PolarHBondContact NE2-O 2.83Å; Q84-D112 PolarHBondContact OE1-O 2.98Å; Q84-M114 HydrophobicContact CB-SD 3.97Å; Q84-M114 VanDerWaalsContact CD-SD 3.5Å; Q84-M114 HydrophobicContact CG-CG 4.25Å; Q84-M114 HydrophobicContact CG-SD 3.56Å; Q84-M114 VanDerWaalsContact CG-SD 3.56Å
85Y98Very high95.3Very high0 Ų036.9 Ų36.90%019%0.186CC..EExtended strand (participates in β ladder)trans-142.4150.4174.472.9-84.5000113.2I45 L46 D47 G48 T118 T120 A123 T150I45-Y85 HydrophobicContact CG2-CD1 3.73Å; I45-Y85 HydrophobicContact CG2-CE1 3.82Å; L46-Y85 VanDerWaalsContact C-CE1 3.46Å; L46-Y85 VanDerWaalsContact O-CD1 3.23Å; L46-Y85 WeakPolarHBondContact O-CD1 3.49Å; L46-Y85 PolarHBondContact O-N 3.45Å; D47-Y85 HydrophobicContact CB-CE1 4.04Å; D47-Y85 HydrophobicContact CB-CE2 4.41Å; D47-Y85 VanDerWaalsContact N-CE1 3.33Å; G48-Y85 PolarHBondContact N-O 3.24Å; Y85-T118 HydrophobicContact CE2-CG2 3.93Å; Y85-T120 WeakPolarHBondContact CE2-OG1 3.28Å; Y85-T120 PolarHBondContact OH-OG1 3.17Å; Y85-T120 VanDerWaalsContact OH-OG1 3.06Å; Y85-A123 HydrophobicContact CD1-CB 3.58Å; Y85-A123 HydrophobicContact CD2-CB 3.87Å; Y85-A123 HydrophobicContact CE1-CB 4.22Å; Y85-A123 HydrophobicContact CE2-CB 4.49Å; Y85-A123 HydrophobicContact CG-CB 3.37Å; Y85-T150 WeakPolarHBondContact OH-CB 3.3Å; Y85-T150 PolarHBondContact OH-OG1 3.04Å; Y85-T150 VanDerWaalsContact OH-OG1 3.08Å
86S95.8Very high95.4Very high6 Ų631.9 Ų31.94%0.04217%0.169CC..SBendtrans-141.1-101161.462.50000109.8D88 G115 N117 R119S86-D88 PolarHBondContact N-O 3.05Å; S86-G115 WeakPolarHBondContact CB-O 3.33Å; S86-G115 PolarHBondContact OG-O 3.49Å; S86-N117 CarbonylContact C-O 2.9Å; S86-N117 WeakPolarHBondContact CA-O 3.26Å; S86-N117 WeakPolarHBondContact CB-O 3.48Å; S86-R119 WeakPolarHBondContact O-CB 3.46Å; S86-R119 PolarHBondContact O-N 3.13Å
87D94.5Very high95.9Very high46 Ų4631.8 Ų31.825%0.24617%0.169CC..SBendtrans-66.1-39.3168.4-82.4-80.6000112.4G116 N117 R119D87-G116 VanDerWaalsContact OD2-CA 3.29Å; D87-G116 WeakPolarHBondContact OD2-CA 3.45Å; D87-N117 PolarHBondContact N-O 2.76Å; D87-N117 WeakPolarHBondContact OD1-CB 3.43Å; D87-N117 PolarHBondContact OD1-ND2 3.45Å; D87-N117 PolarHBondContact OD2-N 2.92Å; D87-N117 PolarHBondContact OD2-ND2 2.6Å; D87-R119 VanDerWaalsContact O-CD 3.3Å; D87-R119 WeakPolarHBondContact O-CD 3.35Å; D87-R119 PolarHBondContact O-NH1 3.25Å
88D95.4Very high96Very high104 Ų10430.9 Ų30.956%0.55617%0.165SC*.SBendtrans-135.9145.2179-72.1-63000109.5S86S86-D88 PolarHBondContact N-O 3.05Å
89P97.5Very high96Very high21 Ų2135.5 Ų35.514%0.13620%0.197CC..EExtended strand (participates in β ladder)trans-82134.1177.530.5-32.7000112.6V83 Q84 T122 A123 F126V83-P89 HydrophobicContact CG1-CB 3.88Å; Q84-P89 CarbonylContact O-C 3.59Å; Q84-P89 WeakPolarHBondContact O-CA 3.22Å; P89-T122 HydrophobicContact CG-CG2 4.27Å; P89-A123 HydrophobicContact CB-CB 4.34Å; P89-F126 HydrophobicContact CB-CB 3.97Å; P89-F126 HydrophobicContact CB-CD1 3.91Å; P89-F126 HydrophobicContact CB-CD2 4.44Å; P89-F126 HydrophobicContact CB-CG 3.87Å; P89-F126 HydrophobicContact CG-CB 3.47Å; P89-F126 VanDerWaalsContact CG-CB 3.47Å; P89-F126 HydrophobicContact CG-CD1 4.1Å; P89-F126 HydrophobicContact CG-CD2 3.78Å; P89-F126 HydrophobicContact CG-CG 3.52Å
90I96.9Very high95.9Very high76 Ų7636.5 Ų36.539%0.3921%0.205SC..EExtended strand (participates in β ladder)trans-109.1137.2174.7-65.1-173.3000110.3V83 Q84 E92 M114V83-I90 WeakPolarHBondContact CA-O 3.45Å; Q84-I90 PolarHBondContact N-O 2.93Å; Q84-I90 PolarHBondContact O-N 2.82Å; I90-E92 PolarHBondContact O-N 2.82Å; I90-M114 HydrophobicContact CB-SD 4.16Å; I90-M114 HydrophobicContact CD1-CE 3.52Å; I90-M114 HydrophobicContact CD1-CG 4.43Å; I90-M114 HydrophobicContact CD1-SD 3.72Å; I90-M114 HydrophobicContact CG1-CE 3.74Å; I90-M114 HydrophobicContact CG1-SD 3.97Å
91L97.2Very high95.7Very high64 Ų6438.3 Ų38.334%0.33522%0.215SC..EExtended strand (participates in β ladder)trans-87.799.7172.2174.544.4000111.1V82 I93 P94 F126 L131V82-L91 WeakPolarHBondContact O-CD1 3.42Å; L91-I93 WeakPolarHBondContact CD1-O 3.48Å; L91-P94 HydrophobicContact CD1-CG 4.29Å; L91-P94 HydrophobicContact CD2-CB 4.47Å; L91-P94 HydrophobicContact CD2-CG 4.02Å; L91-P94 HydrophobicContact CG-CG 4.13Å; L91-F126 HydrophobicContact CB-CE1 4.07Å; L91-F126 HydrophobicContact CB-CZ 4.08Å; L91-L131 HydrophobicContact CD1-CD1 3.37Å; L91-L131 HydrophobicContact CD1-CD2 4.23Å; L91-L131 HydrophobicContact CD1-CG 4.24Å; L91-L131 HydrophobicContact CD2-CD1 3.63Å; L91-L131 HydrophobicContact CG-CD1 4.03Å
92E97.7Very high95.6Very high49 Ų4945.7 Ų45.723%0.22925%0.247CC..EExtended strand (participates in β ladder)trans-76.8-51.1175.7-56.5-62.6171.900111.8V82 Q84 I90 I111V82-E92 HydrophobicContact CB-CB 4.25Å; V82-E92 HydrophobicContact CG1-CB 4.26Å; V82-E92 HydrophobicContact CG1-CG 4.46Å; V82-E92 PolarHBondContact O-N 3.09Å; V82-E92 VanDerWaalsContact O-N 3.15Å; Q84-E92 HydrophobicContact CB-CG 3.92Å; Q84-E92 PolarHBondContact NE2-OE1 2.82Å; I90-E92 PolarHBondContact O-N 2.82Å; E92-I111 HydrophobicContact CB-CD1 3.84Å; E92-I111 HydrophobicContact CB-CG1 4.02Å; E92-I111 HydrophobicContact CG-CD1 4.01Å; E92-I111 HydrophobicContact CG-CG1 4.08Å; E92-I111 HydrophobicContact CG-CG2 3.92Å
93I97.1Very high95.5Very high2 Ų248.8 Ų48.81%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-131.4106.6-174.7-56.6-175.6000110G81 V82 L91 F98 L104 A107 M108G81-I93 CarbonylContact C-O 3.58Å; G81-I93 WeakPolarHBondContact CA-O 3.25Å; V82-I93 HydrophobicContact CB-CB 3.94Å; V82-I93 HydrophobicContact CB-CD1 4.38Å; V82-I93 HydrophobicContact CB-CG1 4.16Å; V82-I93 HydrophobicContact CG2-CB 4.05Å; V82-I93 HydrophobicContact CG2-CD1 3.92Å; V82-I93 HydrophobicContact CG2-CG1 4.2Å; V82-I93 PolarHBondContact N-O 3.06Å; V82-I93 PolarHBondContact O-N 2.93Å; V82-I93 VanDerWaalsContact O-N 3.11Å; L91-I93 WeakPolarHBondContact CD1-O 3.48Å; I93-F98 HydrophobicContact CD1-CE2 4.36Å; I93-F98 HydrophobicContact CG1-CE2 4.4Å; I93-F98 HydrophobicContact CG2-CD2 3.86Å; I93-F98 HydrophobicContact CG2-CE2 3.88Å; I93-L104 HydrophobicContact CD1-CD1 4.07Å; I93-L104 HydrophobicContact CG2-CD1 4.11Å; I93-A107 HydrophobicContact CD1-CB 3.94Å; I93-A107 HydrophobicContact CG1-CB 4.5Å; I93-M108 HydrophobicContact CD1-CE 4.34Å; I93-M108 HydrophobicContact CD1-CG 3.64Å
94P95.1Very high95.4Very high48 Ų4848.9 Ų48.931%0.31226%0.264SS..  trans-62143.6166.6-21.630000112.5L91 K97L91-P94 HydrophobicContact CD1-CG 4.29Å; L91-P94 HydrophobicContact CD2-CB 4.47Å; L91-P94 HydrophobicContact CD2-CG 4.02Å; L91-P94 HydrophobicContact CG-CG 4.13Å; P94-K97 HydrophobicContact CB-CB 4.4Å; P94-K97 HydrophobicContact CG-CD 4.25Å; P94-K97 VanDerWaalsContact O-CB 3.3Å; P94-K97 WeakPolarHBondContact O-CB 3.33Å; P94-K97 PolarHBondContact O-N 3.38Å
95L94.1Very high95.3Very high25 Ų2550.4 Ų50.413%0.13127%0.272CS..THydrogen-bonded Turntrans-54.2142.7168.3-75.1167.1000110.5D41 V43 Q79 K97 L131 F132D41-L95 HydrophobicContact CB-CD1 4.26Å; D41-L95 HydrophobicContact CB-CD2 4.21Å; V43-L95 HydrophobicContact CG2-CD1 4.02Å; V43-L95 HydrophobicContact CG2-CD2 4.02Å; V43-L95 HydrophobicContact CG2-CG 4.15Å; Q79-L95 HydrophobicContact CB-CD2 4.08Å; Q79-L95 WeakPolarHBondContact O-CD2 3.32Å; L95-K97 PolarHBondContact O-N 3.11Å; L95-K97 VanDerWaalsContact O-N 3.12Å; L95-L131 HydrophobicContact CD1-CB 4.39Å; L95-F132 HydrophobicContact CD1-CD1 4.41Å
96G90.9Very high95.3Very high26 Ų2655 Ų5527%0.26829%0.292SS..THydrogen-bonded Turntrans74.1-8.2177.600000116.3Q79 F98Q79-G96 VanDerWaalsContact OE1-N 3.1Å; G96-F98 VanDerWaalsContact C-N 3.31Å; G96-F98 PolarHBondContact O-N 2.84Å
97K94.2Very high95.3Very high123 Ų12355.5 Ų55.554%0.53530%0.296SS..SBendtrans-61-34.3-178.1179175.4172.5-174.60113.9P94 L95P94-K97 HydrophobicContact CB-CB 4.4Å; P94-K97 HydrophobicContact CG-CD 4.25Å; P94-K97 VanDerWaalsContact O-CB 3.3Å; P94-K97 WeakPolarHBondContact O-CB 3.33Å; P94-K97 PolarHBondContact O-N 3.38Å; L95-K97 PolarHBondContact O-N 3.11Å; L95-K97 VanDerWaalsContact O-N 3.12Å
98F94.8Very high95.5Very high41 Ų4153.3 Ų53.318%0.1829%0.285CS..  trans-116.4139.8-177-63.2-70.6000111.6I73 I93 G96 D103 L104 A107I73-F98 WeakPolarHBondContact CG2-O 3.39Å; I93-F98 HydrophobicContact CD1-CE2 4.36Å; I93-F98 HydrophobicContact CG1-CE2 4.4Å; I93-F98 HydrophobicContact CG2-CD2 3.86Å; I93-F98 HydrophobicContact CG2-CE2 3.88Å; G96-F98 VanDerWaalsContact C-N 3.31Å; G96-F98 PolarHBondContact O-N 2.84Å; F98-D103 HydrophobicContact CD1-CB 4.02Å; F98-D103 HydrophobicContact CE1-CB 4.41Å; F98-L104 HydrophobicContact CB-CB 4.1Å; F98-L104 HydrophobicContact CB-CD1 4.25Å; F98-L104 HydrophobicContact CD2-CB 4.47Å; F98-L104 HydrophobicContact CD2-CD1 3.67Å; F98-L104 HydrophobicContact CE2-CD1 4.46Å; F98-L104 HydrophobicContact CG-CB 4.35Å; F98-L104 HydrophobicContact CG-CD1 4.28Å; F98-A107 HydrophobicContact CD2-CB 4.5Å; F98-A107 HydrophobicContact CE1-CB 4.25Å; F98-A107 HydrophobicContact CE2-CB 3.48Å; F98-A107 VanDerWaalsContact CE2-CB 3.48Å; F98-A107 HydrophobicContact CZ-CB 3.34Å
99S92.1Very high95.6Very high98 Ų9853.9 Ų53.969%0.68528%0.284SS*.SBendtrans-117.216.3178.559.50000113.4I73I73-S99 CarbonylContact O-C 3.59Å; I73-S99 VanDerWaalsContact O-C 3.32Å; I73-S99 VanDerWaalsContact O-O 3.1Å
100S92.8Very high95.5Very high32 Ų3260 Ų6022%0.22431%0.31CS..SBendtrans-149.4142.9178.699.90000110.2K102 D103 L104S100-K102 PolarHBondContact O-N 2.79Å; S100-K102 PolarHBondContact OG-N 2.95Å; S100-D103 PolarHBondContact O-N 3.07Å; S100-D103 PolarHBondContact OG-N 2.89Å; S100-D103 PolarHBondContact OG-OD2 2.84Å; S100-L104 WeakPolarHBondContact O-CB 3.48Å; S100-L104 PolarHBondContact O-N 2.69Å; S100-L104 VanDerWaalsContact O-N 3.15Å
101N93.4Very high95.5Very high42 Ų4256.5 Ų56.523%0.22529%0.293CS..Hα-helixtrans-58.1-40.2170.3-93.3-49.8000111.1T68 F71 I73 D103 L104 I105T68-N101 PolarHBondContact O-OD1 3.32Å; F71-N101 PolarHBondContact O-ND2 2.96Å; I73-N101 WeakPolarHBondContact CG1-OD1 3.49Å; N101-D103 VanDerWaalsContact C-N 3.29Å; N101-D103 PolarHBondContact O-N 2.95Å; N101-L104 PolarHBondContact O-N 3.24Å; N101-I105 HydrophobicContact CB-CD1 4.31Å; N101-I105 WeakPolarHBondContact O-CB 3.39Å; N101-I105 VanDerWaalsContact O-CD1 3.29Å; N101-I105 WeakPolarHBondContact O-CD1 3.42Å; N101-I105 WeakPolarHBondContact O-CG1 3.38Å; N101-I105 PolarHBondContact O-N 3.01Å
102K95Very high95.5Very high155 Ų15559.6 Ų59.667%0.67431%0.31SS*.Hα-helixtrans-59.3-37.2-175.9-175.2179.9-177.8179.90113.2S100 K106S100-K102 PolarHBondContact O-N 2.79Å; S100-K102 PolarHBondContact OG-N 2.95Å; K102-K106 WeakPolarHBondContact O-CG 3.2Å
103D95.4Very high95.5Very high66 Ų6660.7 Ų60.735%0.35331%0.312SS..Hα-helixtrans-92.8-32-176.9-56-55.3000112F98 S100 N101 K106 A107F98-D103 HydrophobicContact CD1-CB 4.02Å; F98-D103 HydrophobicContact CE1-CB 4.41Å; S100-D103 PolarHBondContact O-N 3.07Å; S100-D103 PolarHBondContact OG-N 2.89Å; S100-D103 PolarHBondContact OG-OD2 2.84Å; N101-D103 VanDerWaalsContact C-N 3.29Å; N101-D103 PolarHBondContact O-N 2.95Å; D103-K106 PolarHBondContact O-N 3.15Å; D103-K106 IonicContact OD1-NZ 3.93Å; D103-K106 PolarHBondContact OD1-NZ 2.81Å; D103-A107 PolarHBondContact O-N 2.74Å
104L97.1Very high95.3Very high1 Ų163.6 Ų63.61%0.00533%0.326CS..Hα-helixtrans-58.1-47.1168.7-177.867.6000111.6I73 V80 I93 F98 S100 N101 K106 A107 M108I73-L104 HydrophobicContact CD1-CD2 3.81Å; I73-L104 HydrophobicContact CG1-CD2 3.77Å; I73-L104 HydrophobicContact CG2-CD2 4.12Å; V80-L104 HydrophobicContact CB-CD1 4.19Å; V80-L104 HydrophobicContact CB-CD2 3.87Å; V80-L104 HydrophobicContact CG1-CD1 4.46Å; V80-L104 HydrophobicContact CG1-CD2 4.4Å; V80-L104 HydrophobicContact CG2-CD2 3.94Å; I93-L104 HydrophobicContact CD1-CD1 4.07Å; I93-L104 HydrophobicContact CG2-CD1 4.11Å; F98-L104 HydrophobicContact CB-CB 4.1Å; F98-L104 HydrophobicContact CB-CD1 4.25Å; F98-L104 HydrophobicContact CD2-CB 4.47Å; F98-L104 HydrophobicContact CD2-CD1 3.67Å; F98-L104 HydrophobicContact CE2-CD1 4.46Å; F98-L104 HydrophobicContact CG-CB 4.35Å; F98-L104 HydrophobicContact CG-CD1 4.28Å; S100-L104 WeakPolarHBondContact O-CB 3.48Å; S100-L104 PolarHBondContact O-N 2.69Å; S100-L104 VanDerWaalsContact O-N 3.15Å; N101-L104 PolarHBondContact O-N 3.24Å; L104-K106 PolarHBondContact O-N 3.05Å; L104-A107 PolarHBondContact O-N 2.67Å; L104-M108 HydrophobicContact CD1-CE 3.67Å; L104-M108 HydrophobicContact CD1-SD 4.5Å; L104-M108 HydrophobicContact CD2-CE 3.85Å; L104-M108 HydrophobicContact CD2-SD 4.49Å; L104-M108 HydrophobicContact CG-CE 3.61Å; L104-M108 HydrophobicContact CG-SD 3.99Å; L104-M108 WeakPolarHBondContact O-CG 3.03Å; L104-M108 PolarHBondContact O-N 3.2Å
105I97.3Very high95.2Very high33 Ų3361.7 Ų61.717%0.16932%0.316CS..Hα-helixtrans-61.6-41.4-179.2-69.5164.7000111.7V65 T69 N101 A107 M108 Q109V65-I105 HydrophobicContact CG1-CD1 4.44Å; V65-I105 HydrophobicContact CG1-CG1 4.1Å; V65-I105 HydrophobicContact CG1-CG2 3.9Å; V65-I105 HydrophobicContact CG2-CG2 4.07Å; T69-I105 HydrophobicContact CG2-CD1 3.58Å; T69-I105 HydrophobicContact CG2-CG1 4.4Å; N101-I105 HydrophobicContact CB-CD1 4.31Å; N101-I105 WeakPolarHBondContact O-CB 3.39Å; N101-I105 VanDerWaalsContact O-CD1 3.29Å; N101-I105 WeakPolarHBondContact O-CD1 3.42Å; N101-I105 WeakPolarHBondContact O-CG1 3.38Å; N101-I105 PolarHBondContact O-N 3.01Å; I105-A107 VanDerWaalsContact C-N 3.35Å; I105-A107 PolarHBondContact O-N 3.47Å; I105-M108 PolarHBondContact O-N 3.31Å; I105-Q109 HydrophobicContact CG2-CG 4.48Å; I105-Q109 VanDerWaalsContact O-CG 3.27Å; I105-Q109 WeakPolarHBondContact O-CG 3.15Å; I105-Q109 PolarHBondContact O-N 2.63Å
106K96.6Very high95.2Very high97 Ų9761 Ų6142%0.42231%0.314SS..Hα-helixtrans-61.4-44.6175.6-68.1169.1-168.6160.40111.4K102 D103 L104 M108 Q109 Q110K102-K106 WeakPolarHBondContact O-CG 3.2Å; D103-K106 PolarHBondContact O-N 3.15Å; D103-K106 IonicContact OD1-NZ 3.93Å; D103-K106 PolarHBondContact OD1-NZ 2.81Å; L104-K106 PolarHBondContact O-N 3.05Å; K106-M108 VanDerWaalsContact C-N 3.33Å; K106-M108 PolarHBondContact O-N 2.88Å; K106-Q109 PolarHBondContact O-N 2.99Å; K106-Q110 VanDerWaalsContact O-CG 3.31Å; K106-Q110 WeakPolarHBondContact O-CG 3.45Å; K106-Q110 PolarHBondContact O-N 2.85Å; K106-Q110 VanDerWaalsContact O-N 3.13Å
107A97.4Very high95.3Very high17 Ų1763.5 Ų63.514%0.1432%0.322CS..Hα-helixtrans-63.8-40.5179.100000111.5I93 F98 D103 L104 I105 Q110I93-A107 HydrophobicContact CD1-CB 3.94Å; I93-A107 HydrophobicContact CG1-CB 4.5Å; F98-A107 HydrophobicContact CD2-CB 4.5Å; F98-A107 HydrophobicContact CE1-CB 4.25Å; F98-A107 HydrophobicContact CE2-CB 3.48Å; F98-A107 VanDerWaalsContact CE2-CB 3.48Å; F98-A107 HydrophobicContact CZ-CB 3.34Å; D103-A107 PolarHBondContact O-N 2.74Å; L104-A107 PolarHBondContact O-N 2.67Å; I105-A107 VanDerWaalsContact C-N 3.35Å; I105-A107 PolarHBondContact O-N 3.47Å; A107-Q110 PolarHBondContact O-N 2.86Å
108M97.9Very high95.3Very high0 Ų058 Ų580%030%0.298CS..Hα-helixtrans-63.4-40.1174.4-71.7170.4170.200113K61 L64 V65 T68 V80 V82 I93 L104 I105 K106 Q110 I111K61-M108 WeakPolarHBondContact CD-O 3.34Å; L64-M108 HydrophobicContact CD1-CE 4.18Å; L64-M108 HydrophobicContact CD2-CB 4.06Å; L64-M108 HydrophobicContact CD2-CE 4.11Å; L64-M108 HydrophobicContact CD2-CG 3.7Å; L64-M108 HydrophobicContact CD2-SD 3.9Å; L64-M108 HydrophobicContact CG-CE 3.98Å; L64-M108 HydrophobicContact CG-CG 4.3Å; L64-M108 HydrophobicContact CG-SD 3.82Å; V65-M108 HydrophobicContact CG2-CB 3.94Å; V65-M108 HydrophobicContact CG2-SD 4.23Å; T68-M108 HydrophobicContact CG2-CE 3.82Å; T68-M108 HydrophobicContact CG2-SD 4.47Å; V80-M108 HydrophobicContact CB-CE 4.45Å; V80-M108 HydrophobicContact CG1-CE 3.55Å; V82-M108 HydrophobicContact CG2-CE 3.96Å; I93-M108 HydrophobicContact CD1-CE 4.34Å; I93-M108 HydrophobicContact CD1-CG 3.64Å; L104-M108 HydrophobicContact CD1-CE 3.67Å; L104-M108 HydrophobicContact CD1-SD 4.5Å; L104-M108 HydrophobicContact CD2-CE 3.85Å; L104-M108 HydrophobicContact CD2-SD 4.49Å; L104-M108 HydrophobicContact CG-CE 3.61Å; L104-M108 HydrophobicContact CG-SD 3.99Å; L104-M108 WeakPolarHBondContact O-CG 3.03Å; L104-M108 PolarHBondContact O-N 3.2Å; I105-M108 PolarHBondContact O-N 3.31Å; K106-M108 VanDerWaalsContact C-N 3.33Å; K106-M108 PolarHBondContact O-N 2.88Å; M108-Q110 VanDerWaalsContact C-N 3.25Å; M108-Q110 PolarHBondContact O-N 2.94Å; M108-I111 PolarHBondContact O-N 2.92Å
109Q96.3Very high95.4Very high116 Ų11660.4 Ų60.454%0.54231%0.306SS..Hα-helixtrans-65.1-31177.3-73.7169.2-16.400112.5K61 I105 K106 I111K61-Q109 PolarHBondContact NZ-O 2.86Å; K61-Q109 VanDerWaalsContact NZ-O 3.1Å; I105-Q109 HydrophobicContact CG2-CG 4.48Å; I105-Q109 VanDerWaalsContact O-CG 3.27Å; I105-Q109 WeakPolarHBondContact O-CG 3.15Å; I105-Q109 PolarHBondContact O-N 2.63Å; K106-Q109 PolarHBondContact O-N 2.99Å; Q109-I111 VanDerWaalsContact C-N 3.31Å; Q109-I111 PolarHBondContact O-N 2.89Å
110Q96.6Very high95.7Very high148 Ų14855.7 Ų55.769%0.69227%0.273SS*.THydrogen-bonded Turntrans-81.31.5179.1-72.3176.8-3000114.8K106 A107 M108 D112K106-Q110 VanDerWaalsContact O-CG 3.31Å; K106-Q110 WeakPolarHBondContact O-CG 3.45Å; K106-Q110 PolarHBondContact O-N 2.85Å; K106-Q110 VanDerWaalsContact O-N 3.13Å; A107-Q110 PolarHBondContact O-N 2.86Å; M108-Q110 VanDerWaalsContact C-N 3.25Å; M108-Q110 PolarHBondContact O-N 2.94Å; Q110-D112 PolarHBondContact O-N 3.04Å
111I97.5Very high95.9Very high3 Ų354.3 Ų54.32%0.01526%0.264CS..PPolyproline II helixtrans-71120174.3-61.8173.4000108.7F57 K61 V82 Q84 E92 M108 Q109F57-I111 HydrophobicContact CE1-CG2 3.93Å; F57-I111 HydrophobicContact CZ-CG2 3.95Å; K61-I111 HydrophobicContact CD-CB 4.05Å; K61-I111 VanDerWaalsContact CD-O 3.3Å; K61-I111 WeakPolarHBondContact CD-O 3.47Å; K61-I111 WeakPolarHBondContact CE-O 3.48Å; K61-I111 PolarHBondContact NZ-O 2.96Å; V82-I111 HydrophobicContact CB-CD1 4.44Å; V82-I111 HydrophobicContact CG1-CD1 3.84Å; Q84-I111 VanDerWaalsContact NE2-CG2 3.32Å; E92-I111 HydrophobicContact CB-CD1 3.84Å; E92-I111 HydrophobicContact CB-CG1 4.02Å; E92-I111 HydrophobicContact CG-CD1 4.01Å; E92-I111 HydrophobicContact CG-CG1 4.08Å; E92-I111 HydrophobicContact CG-CG2 3.92Å; M108-I111 PolarHBondContact O-N 2.92Å; Q109-I111 VanDerWaalsContact C-N 3.31Å; Q109-I111 PolarHBondContact O-N 2.89Å
112D96.3Very high96.2Very high130 Ų13055 Ų5570%0.69527%0.27SS*.PPolyproline II helixtrans-85145.5177.2-69.6-40.8000110.7Q84 Q110Q84-D112 PolarHBondContact NE2-O 2.83Å; Q84-D112 PolarHBondContact OE1-O 2.98Å; Q110-D112 PolarHBondContact O-N 3.04Å
113Y97.3Very high96.3Very high71 Ų7147.6 Ų47.628%0.27824%0.238SC..PPolyproline II helixtrans-73.8130.7176.9166.6-112.1000111.3G48 S49 W50 V52 D54 F57G48-Y113 WeakPolarHBondContact O-CE2 3.45Å; S49-Y113 WeakPolarHBondContact O-CE2 3.31Å; S49-Y113 PolarHBondContact O-OH 3.43Å; W50-Y113 WeakPolarHBondContact CA-OH 3.41Å; V52-Y113 HydrophobicContact CB-CE2 4.38Å; D54-Y113 HydrophobicContact CB-CD1 3.78Å; D54-Y113 HydrophobicContact CB-CE1 4.18Å; D54-Y113 HydrophobicContact CB-CG 4.29Å; F57-Y113 HydrophobicContact CB-CD2 3.89Å; F57-Y113 HydrophobicContact CB-CG 4.43Å; F57-Y113 HydrophobicContact CD1-CD2 4.34Å; F57-Y113 HydrophobicContact CD2-CD2 4.29Å; F57-Y113 AromaticContact CG-CD2 3.92Å; F57-Y113 HydrophobicContact CG-CD2 3.92Å
114M94.1Very high96.5Very high63 Ų6344.5 Ų44.531%0.3122%0.221SC..  trans-84.8-50.7-175.1-70.4172.261.200114.4Q84 I90Q84-M114 HydrophobicContact CB-SD 3.97Å; Q84-M114 VanDerWaalsContact CD-SD 3.5Å; Q84-M114 HydrophobicContact CG-CG 4.25Å; Q84-M114 HydrophobicContact CG-SD 3.56Å; Q84-M114 VanDerWaalsContact CG-SD 3.56Å; I90-M114 HydrophobicContact CB-SD 4.16Å; I90-M114 HydrophobicContact CD1-CE 3.52Å; I90-M114 HydrophobicContact CD1-CG 4.43Å; I90-M114 HydrophobicContact CD1-SD 3.72Å; I90-M114 HydrophobicContact CG1-CE 3.74Å; I90-M114 HydrophobicContact CG1-SD 3.97Å
115G92Very high96.5Very high8 Ų849.2 Ų49.28%0.08224%0.242CC..  trans69.9170.7-159.900000113.6G48 S86G48-G115 CarbonylContact O-C 3.32Å; G48-G115 WeakPolarHBondContact O-CA 3.21Å; G48-G115 PolarHBondContact O-N 3.01Å; S86-G115 WeakPolarHBondContact CB-O 3.33Å; S86-G115 PolarHBondContact OG-O 3.49Å
116G93.8Very high96.5Very high10 Ų1050.2 Ų50.210%0.10325%0.245CC..SBendtrans124.2-160.7-18000000113.1S49 W50 D87S49-G116 WeakPolarHBondContact CB-O 3.39Å; W50-G116 PolarHBondContact N-O 2.96Å; D87-G116 VanDerWaalsContact OD2-CA 3.29Å; D87-G116 WeakPolarHBondContact OD2-CA 3.45Å
117N94.3Very high96.6Very high80 Ų8045.6 Ų45.643%0.42823%0.225SC..  trans-80.3-173.5174-66.1-63000112.2S49 S86 D87S49-N117 WeakPolarHBondContact CB-O 3.47Å; S86-N117 CarbonylContact C-O 2.9Å; S86-N117 WeakPolarHBondContact CA-O 3.26Å; S86-N117 WeakPolarHBondContact CB-O 3.48Å; D87-N117 PolarHBondContact N-O 2.76Å; D87-N117 WeakPolarHBondContact OD1-CB 3.43Å; D87-N117 PolarHBondContact OD1-ND2 3.45Å; D87-N117 PolarHBondContact OD2-N 2.92Å; D87-N117 PolarHBondContact OD2-ND2 2.6Å
118T94.4Very high96.6Very high6 Ų645.1 Ų45.14%0.03722%0.22CC..  trans-124.492.9-175.1-36.20000110.4D47 S49 Y85 S154 Q155D47-T118 VanDerWaalsContact OD2-CG2 3.24Å; D47-T118 WeakPolarHBondContact OD2-CG2 3.42Å; S49-T118 WeakPolarHBondContact CB-OG1 3.31Å; S49-T118 PolarHBondContact OG-OG1 2.87Å; Y85-T118 HydrophobicContact CE2-CG2 3.93Å; T118-S154 WeakPolarHBondContact O-CA 3.34Å; T118-S154 PolarHBondContact O-OG 3.45Å; T118-Q155 VanDerWaalsContact CB-NE2 3.33Å; T118-Q155 PolarHBondContact O-N 3.03Å; T118-Q155 PolarHBondContact O-OE1 2.93Å; T118-Q155 VanDerWaalsContact O-OE1 3.12Å; T118-Q155 PolarHBondContact OG1-NE2 2.76Å
119R96.9Very high96.4Very high92 Ų9248.2 Ų48.235%0.34724%0.237SC..  trans-106.568.2178.9-63.2-156.3-171.8137.7-1.5113.5S86 D87 G121 T122 A123S86-R119 WeakPolarHBondContact O-CB 3.46Å; S86-R119 PolarHBondContact O-N 3.13Å; D87-R119 VanDerWaalsContact O-CD 3.3Å; D87-R119 WeakPolarHBondContact O-CD 3.35Å; D87-R119 PolarHBondContact O-NH1 3.25Å; R119-G121 PolarHBondContact O-N 3Å; R119-T122 PolarHBondContact O-N 3.03Å; R119-A123 PolarHBondContact O-N 3.41Å
120T97.6Very high96.2Very high0 Ų048.2 Ų48.20%024%0.235CC..Hα-helixtrans-61.8-37.6-173.9-48.70000112.9Y85 A123 I124 V148 S154 V158 I189Y85-T120 WeakPolarHBondContact CE2-OG1 3.28Å; Y85-T120 PolarHBondContact OH-OG1 3.17Å; Y85-T120 VanDerWaalsContact OH-OG1 3.06Å; T120-A123 PolarHBondContact O-N 3.11Å; T120-I124 HydrophobicContact CG2-CD1 4.08Å; T120-I124 WeakPolarHBondContact O-CD1 3.47Å; T120-I124 VanDerWaalsContact O-CG1 3.26Å; T120-I124 WeakPolarHBondContact O-CG1 3.49Å; T120-I124 PolarHBondContact O-N 2.73Å; T120-V148 HydrophobicContact CG2-CG1 3.73Å; T120-S154 PolarHBondContact N-OG 3.34Å; T120-V158 HydrophobicContact CG2-CG1 4.39Å; T120-I189 HydrophobicContact CG2-CD1 3.83Å
121G97.6Very high96Very high3 Ų341.5 Ų41.53%0.03120%0.204CC..Hα-helixtrans-67.9-42.7178.700000112.2R119 A123 I124 K125 D156 A161R119-G121 PolarHBondContact O-N 3Å; G121-A123 VanDerWaalsContact C-N 3.33Å; G121-A123 PolarHBondContact O-N 2.91Å; G121-I124 PolarHBondContact O-N 3.12Å; G121-K125 WeakPolarHBondContact O-CB 3.4Å; G121-K125 PolarHBondContact O-N 3.2Å; G121-D156 WeakPolarHBondContact CA-OD1 3.39Å; G121-D156 PolarHBondContact N-OD1 3.48Å; G121-A161 WeakPolarHBondContact O-CB 3.48Å
122T98.2Very high95.8Very high55 Ų5541.5 Ų41.534%0.33720%0.203SC..Hα-helixtrans-62.6-40.5173.6-610000111P89 R119 K125 F126 D156P89-T122 HydrophobicContact CG-CG2 4.27Å; R119-T122 PolarHBondContact O-N 3.03Å; T122-K125 PolarHBondContact O-N 2.97Å; T122-F126 WeakPolarHBondContact O-CB 3.4Å; T122-F126 PolarHBondContact O-N 2.99Å; T122-D156 VanDerWaalsContact CB-OD2 3.26Å; T122-D156 WeakPolarHBondContact CB-OD2 3.32Å; T122-D156 PolarHBondContact N-OD2 3.32Å; T122-D156 PolarHBondContact OG1-OD2 3.35Å
123A98.2Very high95.4Very high0 Ų037.8 Ų37.80%020%0.196CC..Hα-helixtrans-65-45.9176.200000113I45 Y85 P89 R119 T120 G121 K125 F126 A127I45-A123 HydrophobicContact CG2-CB 3.75Å; Y85-A123 HydrophobicContact CD1-CB 3.58Å; Y85-A123 HydrophobicContact CD2-CB 3.87Å; Y85-A123 HydrophobicContact CE1-CB 4.22Å; Y85-A123 HydrophobicContact CE2-CB 4.49Å; Y85-A123 HydrophobicContact CG-CB 3.37Å; P89-A123 HydrophobicContact CB-CB 4.34Å; R119-A123 PolarHBondContact O-N 3.41Å; T120-A123 PolarHBondContact O-N 3.11Å; G121-A123 VanDerWaalsContact C-N 3.33Å; G121-A123 PolarHBondContact O-N 2.91Å; A123-K125 VanDerWaalsContact C-N 3.31Å; A123-K125 PolarHBondContact O-N 3.04Å; A123-F126 PolarHBondContact O-N 3.41Å; A123-A127 PolarHBondContact O-N 3.4Å
124I98.6Very high94.7Very high1 Ų140.7 Ų40.71%0.00522%0.216CC..Hα-helixtrans-57.8-45174.1-70162.9000110.6I45 T120 G121 T128 V148 A161 A165 L172 I189I45-I124 HydrophobicContact CD1-CG1 4.35Å; T120-I124 HydrophobicContact CG2-CD1 4.08Å; T120-I124 WeakPolarHBondContact O-CD1 3.47Å; T120-I124 VanDerWaalsContact O-CG1 3.26Å; T120-I124 WeakPolarHBondContact O-CG1 3.49Å; T120-I124 PolarHBondContact O-N 2.73Å; G121-I124 PolarHBondContact O-N 3.12Å; I124-T128 VanDerWaalsContact O-CB 3.28Å; I124-T128 WeakPolarHBondContact O-CB 3.29Å; I124-T128 PolarHBondContact O-N 2.88Å; I124-T128 PolarHBondContact O-OG1 3.1Å; I124-V148 HydrophobicContact CD1-CG2 4.23Å; I124-V148 HydrophobicContact CG1-CG2 3.98Å; I124-A161 HydrophobicContact CB-CB 4.22Å; I124-A161 HydrophobicContact CG2-CB 4.08Å; I124-A165 HydrophobicContact CG2-CB 4.19Å; I124-L172 HydrophobicContact CG2-CD1 4.45Å; I124-I189 HydrophobicContact CD1-CB 4.47Å; I124-I189 HydrophobicContact CD1-CD1 4.41Å; I124-I189 HydrophobicContact CD1-CG1 3.97Å; I124-I189 HydrophobicContact CD1-CG2 3.82Å
125K98Very high94.2Very high101 Ų10138.4 Ų38.444%0.43921%0.206SC..Hα-helixtrans-64.9-44177.8-171.9174.9-175.2176.60112G121 T122 A123 T128 D129 A161G121-K125 WeakPolarHBondContact O-CB 3.4Å; G121-K125 PolarHBondContact O-N 3.2Å; T122-K125 PolarHBondContact O-N 2.97Å; A123-K125 VanDerWaalsContact C-N 3.31Å; A123-K125 PolarHBondContact O-N 3.04Å; K125-T128 WeakPolarHBondContact O-CB 3.45Å; K125-T128 PolarHBondContact O-N 2.67Å; K125-D129 PolarHBondContact O-N 3.06Å; K125-A161 HydrophobicContact CB-CB 4.28Å
126F98.1Very high93.6Very high53 Ų5346.5 Ų46.523%0.23224%0.242CC..Hα-helixtrans-60.1-48.4176.8177.4-89.2000111.8V83 P89 L91 T122 A123 T128 D129 K130V83-F126 HydrophobicContact CG1-CD1 3.97Å; V83-F126 HydrophobicContact CG1-CE1 4.31Å; V83-F126 HydrophobicContact CG2-CD1 4.11Å; V83-F126 HydrophobicContact CG2-CE1 4.15Å; P89-F126 HydrophobicContact CB-CB 3.97Å; P89-F126 HydrophobicContact CB-CD1 3.91Å; P89-F126 HydrophobicContact CB-CD2 4.44Å; P89-F126 HydrophobicContact CB-CG 3.87Å; P89-F126 HydrophobicContact CG-CB 3.47Å; P89-F126 VanDerWaalsContact CG-CB 3.47Å; P89-F126 HydrophobicContact CG-CD1 4.1Å; P89-F126 HydrophobicContact CG-CD2 3.78Å; P89-F126 HydrophobicContact CG-CG 3.52Å; L91-F126 HydrophobicContact CB-CE1 4.07Å; L91-F126 HydrophobicContact CB-CZ 4.08Å; T122-F126 WeakPolarHBondContact O-CB 3.4Å; T122-F126 PolarHBondContact O-N 2.99Å; A123-F126 PolarHBondContact O-N 3.41Å; F126-T128 VanDerWaalsContact C-N 3.29Å; F126-T128 PolarHBondContact O-N 2.87Å; F126-D129 PolarHBondContact O-N 3.4Å; F126-K130 HydrophobicContact CD2-CB 4.44Å; F126-K130 HydrophobicContact CD2-CG 3.84Å; F126-K130 HydrophobicContact CE1-CB 4.34Å; F126-K130 HydrophobicContact CE2-CB 4.26Å; F126-K130 HydrophobicContact CE2-CG 3.79Å; F126-K130 HydrophobicContact CG-CG 4.34Å; F126-K130 HydrophobicContact CZ-CB 4.2Å; F126-K130 HydrophobicContact CZ-CG 4.24Å; F126-K130 WeakPolarHBondContact O-CA 3.23Å; F126-K130 VanDerWaalsContact O-CB 3.24Å; F126-K130 WeakPolarHBondContact O-CB 3.46Å; F126-K130 PolarHBondContact O-N 3.21Å
127A97.8Very high93Very high1 Ų148 Ų481%0.00824%0.244CC..Iπ-helixtrans-59.9-41.717600000111.8V43 I45 V83 A123 L131 F132V43-A127 HydrophobicContact CG1-CB 4.39Å; I45-A127 HydrophobicContact CD1-CB 3.41Å; I45-A127 VanDerWaalsContact CD1-CB 3.41Å; I45-A127 HydrophobicContact CG1-CB 3.97Å; V83-A127 HydrophobicContact CG2-CB 4.17Å; A123-A127 PolarHBondContact O-N 3.4Å; A127-L131 WeakPolarHBondContact O-CA 3.38Å; A127-L131 VanDerWaalsContact O-CB 3.26Å; A127-L131 WeakPolarHBondContact O-CB 3.18Å; A127-L131 PolarHBondContact O-N 3.29Å; A127-F132 WeakPolarHBondContact O-CD2 3.28Å; A127-F132 PolarHBondContact O-N 2.95Å
128T96.8Very high91.8Very high6 Ų645.1 Ų45.14%0.03723%0.233CC..Iπ-helixtrans-60.4-47.9177.2-63.10000112.5I124 K125 F126 G133 A165 K168 I170I124-T128 VanDerWaalsContact O-CB 3.28Å; I124-T128 WeakPolarHBondContact O-CB 3.29Å; I124-T128 PolarHBondContact O-N 2.88Å; I124-T128 PolarHBondContact O-OG1 3.1Å; K125-T128 WeakPolarHBondContact O-CB 3.45Å; K125-T128 PolarHBondContact O-N 2.67Å; F126-T128 VanDerWaalsContact C-N 3.29Å; F126-T128 PolarHBondContact O-N 2.87Å; T128-G133 PolarHBondContact O-N 3.08Å; T128-G133 VanDerWaalsContact O-N 3.07Å; T128-A165 HydrophobicContact CG2-CB 4.33Å; T128-A165 WeakPolarHBondContact OG1-CB 3.45Å; T128-K168 HydrophobicContact CG2-CD 3.34Å; T128-I170 HydrophobicContact CG2-CD1 3.9Å
129D94.5Very high90.3Very high65 Ų6549.7 Ų49.735%0.34826%0.263SS..Iπ-helixtrans-87.8-29-173.1-70.4-20.6000113.7K125 F126 K168K125-D129 PolarHBondContact O-N 3.06Å; F126-D129 PolarHBondContact O-N 3.4Å; D129-K168 IonicContact OD1-NZ 2.66Å; D129-K168 PolarHBondContact OD1-NZ 3.09Å
130K91.8Very high88.8Confident117 Ų11749.6 Ų49.651%0.50928%0.282SS..Iπ-helixtrans-107.5-31.1-174.1-58.2-58.6-172.9-179.60114.5F126 L134F126-K130 HydrophobicContact CD2-CB 4.44Å; F126-K130 HydrophobicContact CD2-CG 3.84Å; F126-K130 HydrophobicContact CE1-CB 4.34Å; F126-K130 HydrophobicContact CE2-CB 4.26Å; F126-K130 HydrophobicContact CE2-CG 3.79Å; F126-K130 HydrophobicContact CG-CG 4.34Å; F126-K130 HydrophobicContact CZ-CB 4.2Å; F126-K130 HydrophobicContact CZ-CG 4.24Å; F126-K130 WeakPolarHBondContact O-CA 3.23Å; F126-K130 VanDerWaalsContact O-CB 3.24Å; F126-K130 WeakPolarHBondContact O-CB 3.46Å; F126-K130 PolarHBondContact O-N 3.21Å; K130-L134 WeakPolarHBondContact O-CB 3.46Å; K130-L134 VanDerWaalsContact O-CD1 3.28Å; K130-L134 WeakPolarHBondContact O-CD1 3.42Å; K130-L134 VanDerWaalsContact O-CG 3.25Å; K130-L134 WeakPolarHBondContact O-CG 3.5Å
131L93Very high87.4Confident6 Ų653.2 Ų53.23%0.03132%0.32CS..Iπ-helixtrans-93.2-65.8176.7-10466.4000110.1V43 V83 L91 L95 A127 G133 L134 S135V43-L131 HydrophobicContact CB-CD2 4.46Å; V43-L131 HydrophobicContact CG1-CD2 3.65Å; V43-L131 HydrophobicContact CG2-CB 4.47Å; V43-L131 HydrophobicContact CG2-CD2 3.91Å; V83-L131 HydrophobicContact CG2-CD1 4.08Å; V83-L131 HydrophobicContact CG2-CD2 3.84Å; L91-L131 HydrophobicContact CD1-CD1 3.37Å; L91-L131 HydrophobicContact CD1-CD2 4.23Å; L91-L131 HydrophobicContact CD1-CG 4.24Å; L91-L131 HydrophobicContact CD2-CD1 3.63Å; L91-L131 HydrophobicContact CG-CD1 4.03Å; L95-L131 HydrophobicContact CD1-CB 4.39Å; A127-L131 WeakPolarHBondContact O-CA 3.38Å; A127-L131 VanDerWaalsContact O-CB 3.26Å; A127-L131 WeakPolarHBondContact O-CB 3.18Å; A127-L131 PolarHBondContact O-N 3.29Å; L131-G133 VanDerWaalsContact C-N 3.29Å; L131-G133 PolarHBondContact O-N 2.75Å; L131-L134 PolarHBondContact O-N 3.25Å; L131-L134 VanDerWaalsContact O-N 3.16Å; L131-S135 PolarHBondContact O-N 2.84Å; L131-S135 VanDerWaalsContact O-N 3.16Å
132F93.4Very high86.7Confident3 Ų355 Ų551%0.01333%0.328CS..G310 helixtrans-64.3-37.3-179.8-70.2-70000111.6D41 V43 L95 A127 L134 S135 R144 A146 I170D41-F132 HydrophobicContact CB-CD1 4.4Å; D41-F132 HydrophobicContact CB-CE1 4.02Å; V43-F132 HydrophobicContact CB-CE1 4.45Å; V43-F132 HydrophobicContact CB-CE2 3.74Å; V43-F132 HydrophobicContact CB-CZ 3.55Å; V43-F132 HydrophobicContact CG1-CE2 4.27Å; V43-F132 HydrophobicContact CG2-CD1 4.44Å; V43-F132 HydrophobicContact CG2-CD2 4.34Å; V43-F132 HydrophobicContact CG2-CE1 3.73Å; V43-F132 HydrophobicContact CG2-CE2 3.61Å; V43-F132 HydrophobicContact CG2-CZ 3.28Å; L95-F132 HydrophobicContact CD1-CD1 4.41Å; A127-F132 WeakPolarHBondContact O-CD2 3.28Å; A127-F132 PolarHBondContact O-N 2.95Å; F132-L134 VanDerWaalsContact C-N 3.26Å; F132-L134 PolarHBondContact O-N 2.9Å; F132-S135 PolarHBondContact O-N 3.42Å; F132-R144 VanDerWaalsContact C-NH2 3.33Å; F132-R144 HydrophobicContact CD1-CB 4.03Å; F132-R144 HydrophobicContact CD1-CG 4.36Å; F132-R144 HydrophobicContact CE1-CB 3.84Å; F132-R144 HydrophobicContact CE1-CG 4.49Å; F132-R144 PolarHBondContact O-NH2 2.57Å; F132-A146 HydrophobicContact CE2-CB 3.9Å; F132-A146 HydrophobicContact CZ-CB 4.04Å; F132-I170 HydrophobicContact CB-CD1 3.83Å; F132-I170 HydrophobicContact CB-CG1 4.41Å; F132-I170 HydrophobicContact CD1-CD1 4.45Å; F132-I170 HydrophobicContact CD1-CG1 4.3Å; F132-I170 HydrophobicContact CD2-CD1 3.52Å; F132-I170 HydrophobicContact CD2-CG1 4.1Å; F132-I170 HydrophobicContact CD2-CG2 4.39Å; F132-I170 HydrophobicContact CE2-CD1 4.14Å; F132-I170 HydrophobicContact CE2-CG1 4.42Å; F132-I170 HydrophobicContact CE2-CG2 3.9Å; F132-I170 HydrophobicContact CG-CD1 3.68Å; F132-I170 HydrophobicContact CG-CG1 4.02Å; F132-I170 HydrophobicContact CZ-CG2 3.96Å
133G86.4Confident86.4Confident53 Ų5353.8 Ų53.855%0.54632%0.322SS..G310 helixtrans-65.1-20.9175.800000115.5T128 L131T128-G133 PolarHBondContact O-N 3.08Å; T128-G133 VanDerWaalsContact O-N 3.07Å; L131-G133 VanDerWaalsContact C-N 3.29Å; L131-G133 PolarHBondContact O-N 2.75Å
134L83.6Confident86.2Confident132 Ų13254.9 Ų54.969%0.69133%0.326SS*.G310 helixtrans-106.21.4176.8-61.4-176.2000113.5K130 L131 F132 E136K130-L134 WeakPolarHBondContact O-CB 3.46Å; K130-L134 VanDerWaalsContact O-CD1 3.28Å; K130-L134 WeakPolarHBondContact O-CD1 3.42Å; K130-L134 VanDerWaalsContact O-CG 3.25Å; K130-L134 WeakPolarHBondContact O-CG 3.5Å; L131-L134 PolarHBondContact O-N 3.25Å; L131-L134 VanDerWaalsContact O-N 3.16Å; F132-L134 VanDerWaalsContact C-N 3.26Å; F132-L134 PolarHBondContact O-N 2.9Å; L134-E136 PolarHBondContact O-N 2.87Å
135S83.9Confident86.1Confident15 Ų1554.9 Ų54.911%0.10533%0.326CS..  trans-65.4118.2176.8177.60000110.9D41 L131 F132 R137 G138D41-S135 VanDerWaalsContact OD2-CB 3.27Å; D41-S135 WeakPolarHBondContact OD2-CB 3.39Å; D41-S135 PolarHBondContact OD2-OG 2.94Å; L131-S135 PolarHBondContact O-N 2.84Å; L131-S135 VanDerWaalsContact O-N 3.16Å; F132-S135 PolarHBondContact O-N 3.42Å; S135-R137 PolarHBondContact O-N 2.82Å; S135-R137 PolarHBondContact OG-N 3.16Å; S135-G138 PolarHBondContact O-N 3.2Å
136E79.8Confident86.1Confident178 Ų17850.1 Ų50.183%0.83231%0.305SS*.THydrogen-bonded Turntrans-58.2-20.4176.8-60.4-175.7155.400112.8L134L134-E136 PolarHBondContact O-N 2.87Å
137R81.4Confident86.1Confident41 Ų4147.7 Ų47.716%0.15530%0.295CS..THydrogen-bonded Turntrans-82.9-18.3-175.8-57.2-156.3-68.3-174.51.2113.5C40 D41 Q75 F77 Q79 S135 I142C40-R137 PolarHBondContact O-NH2 3.46Å; D41-R137 IonicContact OD1-CZ 2.67Å; D41-R137 VanDerWaalsContact OD1-CZ 3.26Å; D41-R137 IonicContact OD1-NE 3.53Å; D41-R137 PolarHBondContact OD1-NE 3Å; D41-R137 IonicContact OD1-NH2 3.02Å; D41-R137 PolarHBondContact OD1-NH2 3.45Å; Q75-R137 PolarHBondContact O-NH1 2.85Å; F77-R137 PolarHBondContact O-NH1 3.19Å; Q79-R137 VanDerWaalsContact CD-CZ 3.47Å; S135-R137 PolarHBondContact O-N 2.82Å; S135-R137 PolarHBondContact OG-N 3.16Å; R137-I142 HydrophobicContact CB-CD1 3.81Å; R137-I142 HydrophobicContact CG-CD1 4.32Å
138G67Low86.1Confident19 Ų1947.7 Ų47.720%0.19629%0.294CS..  trans62.1-167.8175.800000114.7S135S135-G138 PolarHBondContact O-N 3.2Å
139P64.7Low86.2Confident103 Ų10347.4 Ų47.467%0.66929%0.293SS*.SBendtrans-89.2-0.7-177.635.2-35.9000114.5G141P139-G141 PolarHBondContact O-N 2.71Å
140A64Low86.3Confident90 Ų9044.4 Ų44.474%0.74428%0.277SS*.SBendtrans-94.889.4-166.800000112.7
141G68.3Low86.4Confident76 Ų7639.5 Ų39.578%0.78426%0.256SS*.SBendtrans89.519.716800000116P139P139-G141 PolarHBondContact O-N 2.71Å
142I84.4Confident86.2Confident39 Ų3939.6 Ų39.620%0.226%0.259CS..SBendtrans-130.5132.8173.8-74168.3000108P39 R137 R144P39-I142 HydrophobicContact CB-CD1 4.42Å; P39-I142 HydrophobicContact CB-CG1 4.16Å; P39-I142 HydrophobicContact CG-CG1 4.4Å; R137-I142 HydrophobicContact CB-CD1 3.81Å; R137-I142 HydrophobicContact CG-CD1 4.32Å; I142-R144 PolarHBondContact O-N 3.07Å
143S90.4Very high86.1Confident30 Ų3044 Ų4421%0.2128%0.278CS..EExtended strand (participates in β ladder)trans-68.9130.7176.1-66.20000110.3C40 D41 E221C40-S143 WeakPolarHBondContact CA-O 3.25Å; C40-S143 PolarHBondContact SG-O 3.33Å; C40-S143 VanDerWaalsContact SG-O 3.32Å; D41-S143 PolarHBondContact N-O 2.94Å; S143-E221 WeakPolarHBondContact CB-O 3.48Å; S143-E221 PolarHBondContact OG-O 2.98Å
144R94.1Very high86.6Confident24 Ų2441.8 Ų41.89%0.09125%0.254CS..EExtended strand (participates in β ladder)trans-114.1105.8-179.6-64.4167.689.2-152.417.4107.2D41 F132 I142 K168 I170 I171D41-R144 HydrophobicContact CB-CG 4.24Å; F132-R144 VanDerWaalsContact C-NH2 3.33Å; F132-R144 HydrophobicContact CD1-CB 4.03Å; F132-R144 HydrophobicContact CD1-CG 4.36Å; F132-R144 HydrophobicContact CE1-CB 3.84Å; F132-R144 HydrophobicContact CE1-CG 4.49Å; F132-R144 PolarHBondContact O-NH2 2.57Å; I142-R144 PolarHBondContact O-N 3.07Å; R144-K168 PolarHBondContact NH1-O 2.87Å; R144-I170 HydrophobicContact CB-CG1 4.42Å; R144-I170 CarbonylContact O-C 3.57Å; R144-I170 WeakPolarHBondContact O-CA 3.46Å; R144-I171 PolarHBondContact O-N 3.44Å
145I96.5Very high87.1Confident1 Ų140.8 Ų40.81%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-120.4130-170-52.7175.5000109.1D41 L42 V43 V147 I171 F173 L218 E221 T222D41-I145 PolarHBondContact O-N 3.28Å; L42-I145 WeakPolarHBondContact CA-O 3.4Å; L42-I145 HydrophobicContact CD1-CB 4.05Å; L42-I145 HydrophobicContact CD1-CG2 4.1Å; V43-I145 PolarHBondContact N-O 3.3Å; I145-V147 HydrophobicContact CG2-CG2 4.46Å; I145-I171 WeakPolarHBondContact CA-O 3.08Å; I145-I171 HydrophobicContact CG1-CB 4.37Å; I145-I171 HydrophobicContact CG1-CD1 4.16Å; I145-F173 HydrophobicContact CG2-CD2 3.54Å; I145-F173 HydrophobicContact CG2-CE2 3.61Å; I145-L218 HydrophobicContact CD1-CD2 4.12Å; I145-L218 HydrophobicContact CG2-CD2 3.64Å; I145-E221 HydrophobicContact CD1-CB 3.52Å; I145-E221 HydrophobicContact CD1-CG 4.42Å; I145-E221 HydrophobicContact CG1-CB 4.31Å; I145-T222 HydrophobicContact CD1-CG2 3.93Å
146A98.2Very high87.7Confident1 Ų141.8 Ų41.81%0.00825%0.25CS..EExtended strand (participates in β ladder)trans-116.8126.3173.100000109.9V43 I45 F132 I170 I171 L172 F173V43-A146 CarbonylContact O-C 3.6Å; V43-A146 VanDerWaalsContact O-CA 3.28Å; V43-A146 WeakPolarHBondContact O-CA 3.41Å; I45-A146 HydrophobicContact CD1-CB 4.32Å; F132-A146 HydrophobicContact CE2-CB 3.9Å; F132-A146 HydrophobicContact CZ-CB 4.04Å; A146-I170 HydrophobicContact CB-CG2 3.78Å; A146-I171 PolarHBondContact N-O 2.98Å; A146-L172 HydrophobicContact CB-CD2 3.62Å; A146-L172 WeakPolarHBondContact O-CA 3.45Å; A146-F173 PolarHBondContact O-N 3.49Å
147V98.5Very high88.5Confident1 Ų138.2 Ų38.21%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-107.6107.8175.9-174.30000108L42 V43 F44 I45 W63 I145 F173 I175 L218L42-V147 HydrophobicContact CD1-CG2 4.08Å; V43-V147 PolarHBondContact O-N 3.47Å; F44-V147 WeakPolarHBondContact CA-O 3.49Å; F44-V147 HydrophobicContact CD1-CB 3.89Å; F44-V147 HydrophobicContact CD1-CG1 4.28Å; F44-V147 HydrophobicContact CD1-CG2 4.43Å; F44-V147 HydrophobicContact CE1-CB 4.11Å; F44-V147 HydrophobicContact CE1-CG1 4.38Å; F44-V147 HydrophobicContact CE1-CG2 4.21Å; I45-V147 PolarHBondContact N-O 2.88Å; W63-V147 HydrophobicContact CH2-CG1 4.04Å; I145-V147 HydrophobicContact CG2-CG2 4.46Å; V147-F173 HydrophobicContact CG1-CB 4.33Å; V147-F173 HydrophobicContact CG2-CB 4.27Å; V147-F173 HydrophobicContact CG2-CD2 4.49Å; V147-I175 HydrophobicContact CG1-CD1 3.5Å; V147-I175 HydrophobicContact CG1-CG1 4.19Å; V147-L218 HydrophobicContact CG2-CD2 4.12Å
148V98.6Very high89.2Confident1 Ų136.7 Ų36.71%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-90126.8176.6-173.30000108.4I45 T120 I124 L172 F173 A174 I175 I189I45-V148 HydrophobicContact CB-CG2 4.33Å; I45-V148 HydrophobicContact CD1-CG2 4.22Å; I45-V148 WeakPolarHBondContact O-CA 3.26Å; T120-V148 HydrophobicContact CG2-CG1 3.73Å; I124-V148 HydrophobicContact CD1-CG2 4.23Å; I124-V148 HydrophobicContact CG1-CG2 3.98Å; V148-L172 HydrophobicContact CG2-CD2 3.97Å; V148-F173 PolarHBondContact N-O 3.34Å; V148-A174 CarbonylContact O-C 3.56Å; V148-I175 PolarHBondContact O-N 2.94Å; V148-I189 HydrophobicContact CB-CG2 4.18Å; V148-I189 HydrophobicContact CG1-CG2 4.49Å; V148-I189 HydrophobicContact CG2-CG2 3.88Å
149L97.9Very high90.6Very high1 Ų139.5 Ų39.51%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-124.2117.7177.8-176.4160.7000107.7I45 L46 D47 V60 W63 I175 V177 I207I45-L149 PolarHBondContact O-N 3.13Å; L46-L149 HydrophobicContact CD2-CB 4.02Å; L46-L149 HydrophobicContact CD2-CD1 4.25Å; D47-L149 WeakPolarHBondContact CB-O 3.2Å; D47-L149 PolarHBondContact N-O 3.12Å; V60-L149 HydrophobicContact CG1-CD1 3.91Å; V60-L149 HydrophobicContact CG1-CD2 4.11Å; V60-L149 HydrophobicContact CG2-CD1 4.44Å; V60-L149 HydrophobicContact CG2-CD2 3.94Å; W63-L149 HydrophobicContact CD2-CD1 4.42Å; W63-L149 HydrophobicContact CE3-CD1 3.82Å; W63-L149 HydrophobicContact CH2-CD1 3.96Å; W63-L149 HydrophobicContact CZ3-CD1 3.58Å; L149-I175 WeakPolarHBondContact CA-O 3.01Å; L149-V177 HydrophobicContact CD2-CG2 4.4Å; L149-V177 HydrophobicContact CG-CG2 4.49Å; L149-I207 HydrophobicContact CD1-CD1 3.48Å; L149-I207 VanDerWaalsContact CD1-CD1 3.48Å; L149-I207 HydrophobicContact CG-CD1 4.22Å
150T96.4Very high92.2Very high1 Ų140.5 Ų40.51%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-139.2148.3-171.7-161.30000109.7D47 Y85 G152 I175 G176 V177 T181 L186D47-T150 PolarHBondContact OD2-OG1 3.37Å; Y85-T150 WeakPolarHBondContact OH-CB 3.3Å; Y85-T150 PolarHBondContact OH-OG1 3.04Å; Y85-T150 VanDerWaalsContact OH-OG1 3.08Å; T150-G152 PolarHBondContact OG1-O 3.04Å; T150-I175 PolarHBondContact N-O 3.29Å; T150-G176 WeakPolarHBondContact O-CA 3.31Å; T150-V177 PolarHBondContact O-N 3.35Å; T150-T181 HydrophobicContact CG2-CG2 4.47Å; T150-L186 HydrophobicContact CG2-CD2 3.65Å
151D93.1Very high93.8Very high14 Ų1436.7 Ų36.78%0.07520%0.2CC..SBendtrans-118.3-16.318089.2-34.4000114.6D47 S51 V52 V177 T181 Y204D47-D151 PolarHBondContact OD2-N 2.8Å; S51-D151 WeakPolarHBondContact CB-OD1 3.48Å; S51-D151 WeakPolarHBondContact CB-OD2 3.16Å; S51-D151 PolarHBondContact OG-OD1 2.91Å; S51-D151 PolarHBondContact OG-OD2 2.93Å; V52-D151 WeakPolarHBondContact CA-OD2 3.39Å; V52-D151 PolarHBondContact N-OD2 2.79Å; D151-V177 VanDerWaalsContact CA-O 3.3Å; D151-V177 WeakPolarHBondContact CA-O 3.49Å; D151-V177 HydrophobicContact CB-CB 4.28Å; D151-V177 WeakPolarHBondContact CB-O 3.44Å; D151-T181 WeakPolarHBondContact O-CG2 3.22Å; D151-Y204 HydrophobicContact CB-CE2 4.5Å; D151-Y204 WeakPolarHBondContact CB-OH 3.17Å; D151-Y204 VanDerWaalsContact CG-OH 3.24Å; D151-Y204 PolarHBondContact OD2-OH 3.09Å; D151-Y204 VanDerWaalsContact OD2-OH 3.06Å
152G88.8Confident95.2Very high9 Ų933 Ų339%0.09316%0.162CC..SBendtrans-122.3172.6170.400000113.3T150T150-G152 PolarHBondContact OG1-O 3.04Å
153K93Very high95.9Very high96 Ų9635 Ų3542%0.41717%0.17SC..  trans-67.1132166.9-171.8-155-178.391.70111Q155 E180 E182 E185K153-Q155 PolarHBondContact O-NE2 2.98Å; K153-E180 PolarHBondContact N-O 2.93Å; K153-E182 WeakPolarHBondContact CD-OE1 3.28Å; K153-E182 HydrophobicContact CG-CG 4.32Å; K153-E182 IonicContact NZ-OE1 3.11Å; K153-E182 PolarHBondContact NZ-OE1 3.07Å; K153-E182 IonicContact NZ-OE2 2.89Å; K153-E182 PolarHBondContact NZ-OE2 3.13Å; K153-E185 WeakPolarHBondContact CG-OE2 3.23Å
154S95.6Very high96.2Very high6 Ų636.8 Ų36.84%0.04218%0.176CC..  trans-62.9145.8174.9-162.30000112.2T118 T120 D156 V158 E185T118-S154 WeakPolarHBondContact O-CA 3.34Å; T118-S154 PolarHBondContact O-OG 3.45Å; T120-S154 PolarHBondContact N-OG 3.34Å; S154-D156 PolarHBondContact OG-N 3.02Å; S154-D156 PolarHBondContact OG-OD1 3.49Å; S154-V158 VanDerWaalsContact CB-CG1 3.47Å; S154-E185 VanDerWaalsContact CB-OE1 3.22Å; S154-E185 WeakPolarHBondContact CB-OE1 3.34Å; S154-E185 PolarHBondContact N-OE1 2.88Å; S154-E185 PolarHBondContact N-OE2 3.46Å
155Q95.3Very high96.3Very high110 Ų11035.7 Ų35.751%0.51417%0.171SC..SBendtrans-96.312.7171.7-51.394.240.500113.2T118 K153T118-Q155 VanDerWaalsContact CB-NE2 3.33Å; T118-Q155 PolarHBondContact O-N 3.03Å; T118-Q155 PolarHBondContact O-OE1 2.93Å; T118-Q155 VanDerWaalsContact O-OE1 3.12Å; T118-Q155 PolarHBondContact OG1-NE2 2.76Å; K153-Q155 PolarHBondContact O-NE2 2.98Å
156D96.6Very high96.3Very high37 Ų3739 Ų3920%0.19818%0.184CC..SBendtrans-133.7174.4173.375-1.5000113.2G121 T122 S154 V158G121-D156 WeakPolarHBondContact CA-OD1 3.39Å; G121-D156 PolarHBondContact N-OD1 3.48Å; T122-D156 VanDerWaalsContact CB-OD2 3.26Å; T122-D156 WeakPolarHBondContact CB-OD2 3.32Å; T122-D156 PolarHBondContact N-OD2 3.32Å; T122-D156 PolarHBondContact OG1-OD2 3.35Å; S154-D156 PolarHBondContact OG-N 3.02Å; S154-D156 PolarHBondContact OG-OD1 3.49Å; D156-V158 PolarHBondContact O-N 3.25Å; D156-V158 VanDerWaalsContact O-N 3.16Å
157E95.4Very high96.1Very high103 Ų10346.4 Ų46.448%0.48122%0.216SC..  trans-81.696-172.5-172.7176.2-159.400112.9K160E157-K160 HydrophobicContact CG-CG 4.33Å; E157-K160 WeakPolarHBondContact OE1-CE 3.41Å; E157-K160 IonicContact OE1-NZ 2.68Å; E157-K160 PolarHBondContact OE1-NZ 3.16Å; E157-K160 WeakPolarHBondContact OE2-CD 3.48Å; E157-K160 IonicContact OE2-NZ 2.65Å; E157-K160 PolarHBondContact OE2-NZ 3.23Å
158V97.2Very high95.9Very high8 Ų849.8 Ų49.85%0.04823%0.231CC..Hα-helixtrans-70.5-39.3-178.4-51.70000114.1T120 S154 D156 K160 A161 A162 E185 D188 I189T120-V158 HydrophobicContact CG2-CG1 4.39Å; S154-V158 VanDerWaalsContact CB-CG1 3.47Å; D156-V158 PolarHBondContact O-N 3.25Å; D156-V158 VanDerWaalsContact O-N 3.16Å; V158-K160 PolarHBondContact O-N 3.14Å; V158-A161 PolarHBondContact O-N 3.44Å; V158-A161 VanDerWaalsContact O-N 3.16Å; V158-A162 WeakPolarHBondContact O-CB 3.37Å; V158-A162 PolarHBondContact O-N 3.47Å; V158-E185 HydrophobicContact CG1-CG 4.22Å; V158-E185 HydrophobicContact CG2-CG 3.55Å; V158-D188 HydrophobicContact CG2-CB 4.42Å; V158-I189 HydrophobicContact CB-CD1 4.25Å; V158-I189 HydrophobicContact CB-CG1 3.84Å; V158-I189 HydrophobicContact CG1-CD1 4.33Å; V158-I189 HydrophobicContact CG1-CG1 4.46Å; V158-I189 HydrophobicContact CG2-CD1 4.29Å; V158-I189 HydrophobicContact CG2-CG1 3.8Å
159M96.8Very high95.5Very high78 Ų7852.1 Ų52.138%0.38426%0.255SS..Hα-helixtrans-59.9-44.4-168.4178.5177.751.300112.3A162 E163 D188M159-A162 PolarHBondContact O-N 3.35Å; M159-E163 WeakPolarHBondContact O-CB 3.05Å; M159-E163 WeakPolarHBondContact O-CG 2.93Å; M159-E163 PolarHBondContact O-N 2.85Å; M159-D188 HydrophobicContact CB-CB 4.12Å; M159-D188 HydrophobicContact CG-CB 4.36Å
160K97.3Very high95.4Very high125 Ų12552.2 Ų52.254%0.54326%0.255SS..Hα-helixtrans-66.7-40.6178.9-71.4-166.9-177.298.20112.4E157 V158 E163 E164E157-K160 HydrophobicContact CG-CG 4.33Å; E157-K160 WeakPolarHBondContact OE1-CE 3.41Å; E157-K160 IonicContact OE1-NZ 2.68Å; E157-K160 PolarHBondContact OE1-NZ 3.16Å; E157-K160 WeakPolarHBondContact OE2-CD 3.48Å; E157-K160 IonicContact OE2-NZ 2.65Å; E157-K160 PolarHBondContact OE2-NZ 3.23Å; V158-K160 PolarHBondContact O-N 3.14Å; K160-E163 PolarHBondContact O-N 2.85Å; K160-E164 PolarHBondContact O-N 2.85Å
161A97.9Very high95.4Very high9 Ų953.2 Ų53.27%0.07426%0.26CS..Hα-helixtrans-65.1-44.2177.700000111.2G121 I124 K125 V158 E164 A165G121-A161 WeakPolarHBondContact O-CB 3.48Å; I124-A161 HydrophobicContact CB-CB 4.22Å; I124-A161 HydrophobicContact CG2-CB 4.08Å; K125-A161 HydrophobicContact CB-CB 4.28Å; V158-A161 PolarHBondContact O-N 3.44Å; V158-A161 VanDerWaalsContact O-N 3.16Å; A161-E164 PolarHBondContact O-N 2.76Å; A161-A165 PolarHBondContact O-N 2.77Å
162A98.3Very high95.6Very high0 Ų052.6 Ų52.60%026%0.257CS..Hα-helixtrans-64.1-41.3175.600000112.5V158 M159 E164 A165 R166 L172 D188V158-A162 WeakPolarHBondContact O-CB 3.37Å; V158-A162 PolarHBondContact O-N 3.47Å; M159-A162 PolarHBondContact O-N 3.35Å; A162-E164 VanDerWaalsContact C-N 3.34Å; A162-E164 PolarHBondContact O-N 3.45Å; A162-A165 PolarHBondContact O-N 3.4Å; A162-R166 WeakPolarHBondContact O-CB 3.36Å; A162-R166 VanDerWaalsContact O-CG 3.31Å; A162-R166 WeakPolarHBondContact O-CG 3.46Å; A162-R166 PolarHBondContact O-N 2.79Å; A162-L172 HydrophobicContact CB-CD1 3.73Å; A162-D188 WeakPolarHBondContact CB-O 3.47Å
163E97.7Very high96.1Very high79 Ų7952.2 Ų52.237%0.36925%0.253SS..Hα-helixtrans-59.4-41.5171.6-84.4-162.8-171.300113.3M159 K160 R166 K167M159-E163 WeakPolarHBondContact O-CB 3.05Å; M159-E163 WeakPolarHBondContact O-CG 2.93Å; M159-E163 PolarHBondContact O-N 2.85Å; K160-E163 PolarHBondContact O-N 2.85Å; E163-R166 PolarHBondContact O-N 3.02Å; E163-K167 WeakPolarHBondContact O-CB 3.44Å; E163-K167 WeakPolarHBondContact O-CD 3.43Å; E163-K167 WeakPolarHBondContact O-CG 3.37Å; E163-K167 PolarHBondContact O-N 2.89Å; E163-K167 IonicContact OE2-NZ 2.68Å; E163-K167 PolarHBondContact OE2-NZ 2.78Å
164E96.9Very high96.3Very high69 Ų6947.7 Ų47.732%0.32223%0.233SC..Hα-helixtrans-66.1-42.3178.5-168.4179.2166.400111.4K160 A161 A162 K167 K168K160-E164 PolarHBondContact O-N 2.85Å; A161-E164 PolarHBondContact O-N 2.76Å; A162-E164 VanDerWaalsContact C-N 3.34Å; A162-E164 PolarHBondContact O-N 3.45Å; E164-K167 PolarHBondContact O-N 3.02Å; E164-K168 HydrophobicContact CG-CD 4.46Å; E164-K168 PolarHBondContact O-N 3.28Å; E164-K168 WeakPolarHBondContact OE1-CE 3.21Å; E164-K168 IonicContact OE1-NZ 3.73Å; E164-K168 PolarHBondContact OE1-NZ 3.01Å
165A97.1Very high96.5Very high0 Ų047.4 Ų47.40%023%0.231CC..Hα-helixtrans-59.7-48.3174.200000111.7I124 T128 A161 A162 K167 K168 G169 I170 L172I124-A165 HydrophobicContact CG2-CB 4.19Å; T128-A165 HydrophobicContact CG2-CB 4.33Å; T128-A165 WeakPolarHBondContact OG1-CB 3.45Å; A161-A165 PolarHBondContact O-N 2.77Å; A162-A165 PolarHBondContact O-N 3.4Å; A165-K167 VanDerWaalsContact C-N 3.35Å; A165-K167 PolarHBondContact O-N 2.58Å; A165-K168 CarbonylContact O-C 3.59Å; A165-K168 WeakPolarHBondContact O-CA 3.42Å; A165-K168 WeakPolarHBondContact O-CB 3.28Å; A165-K168 PolarHBondContact O-N 2.68Å; A165-G169 PolarHBondContact O-N 3.13Å; A165-I170 HydrophobicContact CB-CB 4.31Å; A165-I170 HydrophobicContact CB-CD1 4.14Å; A165-I170 WeakPolarHBondContact O-CB 3.47Å; A165-I170 PolarHBondContact O-N 2.99Å; A165-L172 HydrophobicContact CB-CD1 3.93Å
166R95.9Very high96.5Very high70 Ų7042.2 Ų42.226%0.26421%0.207SC..Hα-helixtrans-61.2-39.9176.1-69.7-175.8-60.1-112.5-0.1112.3A162 E163 K168 G169 L172 D188 I189 A190 N191A162-R166 WeakPolarHBondContact O-CB 3.36Å; A162-R166 VanDerWaalsContact O-CG 3.31Å; A162-R166 WeakPolarHBondContact O-CG 3.46Å; A162-R166 PolarHBondContact O-N 2.79Å; E163-R166 PolarHBondContact O-N 3.02Å; R166-K168 VanDerWaalsContact C-N 3.25Å; R166-K168 PolarHBondContact O-N 3.37Å; R166-G169 PolarHBondContact O-N 3.23Å; R166-L172 HydrophobicContact CG-CD1 4.25Å; R166-D188 PolarHBondContact NH1-O 2.76Å; R166-D188 PolarHBondContact NH2-O 2.57Å; R166-I189 PolarHBondContact NH1-O 3.18Å; R166-A190 PolarHBondContact NH1-O 2.86Å; R166-N191 VanDerWaalsContact CD-OD1 3.25Å; R166-N191 WeakPolarHBondContact CD-OD1 3.39Å; R166-N191 VanDerWaalsContact CG-OD1 3.31Å; R166-N191 WeakPolarHBondContact CG-OD1 3.36Å
167K94.6Very high96.5Very high157 Ų15740.5 Ų40.568%0.68320%0.198SC*.Hα-helixtrans-64-27.6173.9-73.8162.8-168.6159.50112.8E163 E164 A165 G169E163-K167 WeakPolarHBondContact O-CB 3.44Å; E163-K167 WeakPolarHBondContact O-CD 3.43Å; E163-K167 WeakPolarHBondContact O-CG 3.37Å; E163-K167 PolarHBondContact O-N 2.89Å; E163-K167 IonicContact OE2-NZ 2.68Å; E163-K167 PolarHBondContact OE2-NZ 2.78Å; E164-K167 PolarHBondContact O-N 3.02Å; A165-K167 VanDerWaalsContact C-N 3.35Å; A165-K167 PolarHBondContact O-N 2.58Å; K167-G169 VanDerWaalsContact C-N 3.26Å; K167-G169 PolarHBondContact O-N 3.19Å
168K92.9Very high96.4Very high73 Ų7336.4 Ų36.432%0.31718%0.183SC..THydrogen-bonded Turntrans-84.59.3171.7-71.6166.3-178.9163.50113.4T128 D129 R144 E164 A165 R166 I170T128-K168 HydrophobicContact CG2-CD 3.34Å; D129-K168 IonicContact OD1-NZ 2.66Å; D129-K168 PolarHBondContact OD1-NZ 3.09Å; R144-K168 PolarHBondContact NH1-O 2.87Å; E164-K168 HydrophobicContact CG-CD 4.46Å; E164-K168 PolarHBondContact O-N 3.28Å; E164-K168 WeakPolarHBondContact OE1-CE 3.21Å; E164-K168 IonicContact OE1-NZ 3.73Å; E164-K168 PolarHBondContact OE1-NZ 3.01Å; A165-K168 CarbonylContact O-C 3.59Å; A165-K168 WeakPolarHBondContact O-CA 3.42Å; A165-K168 WeakPolarHBondContact O-CB 3.28Å; A165-K168 PolarHBondContact O-N 2.68Å; R166-K168 VanDerWaalsContact C-N 3.25Å; R166-K168 PolarHBondContact O-N 3.37Å; K168-I170 HydrophobicContact CB-CD1 4.46Å
169G91.9Very high95.9Very high50 Ų5041.6 Ų41.652%0.51522%0.217SC..THydrogen-bonded Turntrans75.621.7177.400000114.4A165 R166 K167A165-G169 PolarHBondContact O-N 3.13Å; R166-G169 PolarHBondContact O-N 3.23Å; K167-G169 VanDerWaalsContact C-N 3.26Å; K167-G169 PolarHBondContact O-N 3.19Å
170I95.4Very high95.4Very high2 Ų244.7 Ų44.71%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-88.7131.9174.2-57.9161.2000108.6T128 F132 R144 A146 A165 K168T128-I170 HydrophobicContact CG2-CD1 3.9Å; F132-I170 HydrophobicContact CB-CD1 3.83Å; F132-I170 HydrophobicContact CB-CG1 4.41Å; F132-I170 HydrophobicContact CD1-CD1 4.45Å; F132-I170 HydrophobicContact CD1-CG1 4.3Å; F132-I170 HydrophobicContact CD2-CD1 3.52Å; F132-I170 HydrophobicContact CD2-CG1 4.1Å; F132-I170 HydrophobicContact CD2-CG2 4.39Å; F132-I170 HydrophobicContact CE2-CD1 4.14Å; F132-I170 HydrophobicContact CE2-CG1 4.42Å; F132-I170 HydrophobicContact CE2-CG2 3.9Å; F132-I170 HydrophobicContact CG-CD1 3.68Å; F132-I170 HydrophobicContact CG-CG1 4.02Å; F132-I170 HydrophobicContact CZ-CG2 3.96Å; R144-I170 HydrophobicContact CB-CG1 4.42Å; R144-I170 CarbonylContact O-C 3.57Å; R144-I170 WeakPolarHBondContact O-CA 3.46Å; A146-I170 HydrophobicContact CB-CG2 3.78Å; A165-I170 HydrophobicContact CB-CB 4.31Å; A165-I170 HydrophobicContact CB-CD1 4.14Å; A165-I170 WeakPolarHBondContact O-CB 3.47Å; A165-I170 PolarHBondContact O-N 2.99Å; K168-I170 HydrophobicContact CB-CD1 4.46Å
171I95.7Very high94.9Very high23 Ų2339.8 Ų39.812%0.11821%0.211CC..EExtended strand (participates in β ladder)trans-90.3117.7175.6-61.6151.2000108.2R144 I145 A146 F173 Y197 E221R144-I171 PolarHBondContact O-N 3.44Å; I145-I171 WeakPolarHBondContact CA-O 3.08Å; I145-I171 HydrophobicContact CG1-CB 4.37Å; I145-I171 HydrophobicContact CG1-CD1 4.16Å; A146-I171 PolarHBondContact N-O 2.98Å; I171-F173 HydrophobicContact CG2-CD2 4.32Å; I171-F173 HydrophobicContact CG2-CE2 3.88Å; I171-Y197 HydrophobicContact CG2-CD1 4.06Å; I171-Y197 HydrophobicContact CG2-CE1 3.53Å; I171-E221 HydrophobicContact CD1-CB 4.21Å; I171-E221 HydrophobicContact CD1-CG 4.35Å; I171-E221 WeakPolarHBondContact CD1-OE2 3.48Å; I171-E221 HydrophobicContact CG2-CG 4.04Å
172L98.3Very high94.6Very high1 Ų143.5 Ų43.51%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-98.6124-179.7-75.5166.9000111.6I124 A146 V148 A162 A165 R166 I189 A190 N191I124-L172 HydrophobicContact CG2-CD1 4.45Å; A146-L172 HydrophobicContact CB-CD2 3.62Å; A146-L172 WeakPolarHBondContact O-CA 3.45Å; V148-L172 HydrophobicContact CG2-CD2 3.97Å; A162-L172 HydrophobicContact CB-CD1 3.73Å; A165-L172 HydrophobicContact CB-CD1 3.93Å; R166-L172 HydrophobicContact CG-CD1 4.25Å; L172-I189 VanDerWaalsContact CB-O 3.31Å; L172-I189 WeakPolarHBondContact CB-O 3.47Å; L172-I189 WeakPolarHBondContact CD1-O 3.19Å; L172-A190 CarbonylContact O-C 3.56Å; L172-A190 WeakPolarHBondContact O-CA 3.32Å; L172-N191 PolarHBondContact N-OD1 3.06Å; L172-N191 PolarHBondContact O-N 3.43Å
173F98.4Very high94.3Very high1 Ų147.1 Ų47.10%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-101138.6161.7-71.7-91.2000108.9I145 A146 V147 V148 I171 Y197 F199 K217 L218 E221I145-F173 HydrophobicContact CG2-CD2 3.54Å; I145-F173 HydrophobicContact CG2-CE2 3.61Å; A146-F173 PolarHBondContact O-N 3.49Å; V147-F173 HydrophobicContact CG1-CB 4.33Å; V147-F173 HydrophobicContact CG2-CB 4.27Å; V147-F173 HydrophobicContact CG2-CD2 4.49Å; V148-F173 PolarHBondContact N-O 3.34Å; I171-F173 HydrophobicContact CG2-CD2 4.32Å; I171-F173 HydrophobicContact CG2-CE2 3.88Å; F173-Y197 CarbonylContact C-O 3.54Å; F173-Y197 WeakPolarHBondContact CA-O 3.47Å; F173-Y197 AromaticContact CD1-CD1 3.85Å; F173-Y197 HydrophobicContact CD1-CD1 3.85Å; F173-Y197 HydrophobicContact CD1-CG 4.47Å; F173-Y197 HydrophobicContact CD2-CD1 4.28Å; F173-Y197 AromaticContact CE1-CD1 3.51Å; F173-Y197 HydrophobicContact CE1-CD1 3.51Å; F173-Y197 HydrophobicContact CE1-CE1 4.16Å; F173-Y197 HydrophobicContact CE1-CG 4.31Å; F173-Y197 AromaticContact CE2-CD1 3.97Å; F173-Y197 HydrophobicContact CE2-CD1 3.97Å; F173-Y197 HydrophobicContact CE2-CE1 4.2Å; F173-Y197 HydrophobicContact CG-CD1 4.23Å; F173-Y197 AromaticContact CZ-CD1 3.58Å; F173-Y197 HydrophobicContact CZ-CD1 3.58Å; F173-Y197 AromaticContact CZ-CE1 3.81Å; F173-Y197 HydrophobicContact CZ-CE1 3.81Å; F173-F199 AromaticContact CD1-CE2 3.93Å; F173-F199 HydrophobicContact CD1-CE2 3.93Å; F173-F199 HydrophobicContact CE1-CE2 4.31Å; F173-K217 HydrophobicContact CE1-CB 3.78Å; F173-K217 HydrophobicContact CZ-CB 4.05Å; F173-L218 HydrophobicContact CD2-CD2 4.21Å; F173-L218 HydrophobicContact CE2-CD2 3.95Å; F173-E221 HydrophobicContact CE2-CG 3.89Å; F173-E221 HydrophobicContact CZ-CG 3.76Å
174A98.1Very high94.1Very high0 Ų048.6 Ų48.60%025%0.254CS..EExtended strand (participates in β ladder)trans-119.8127.8175.200000109.8V148 L186 I189 A190 Y197 V198 F199V148-A174 CarbonylContact O-C 3.56Å; A174-L186 HydrophobicContact CB-CB 4.07Å; A174-L186 HydrophobicContact CB-CD2 4.18Å; A174-L186 WeakPolarHBondContact CB-O 3.1Å; A174-I189 HydrophobicContact CB-CB 4.14Å; A174-I189 HydrophobicContact CB-CG2 3.93Å; A174-A190 HydrophobicContact CB-CB 3.96Å; A174-Y197 PolarHBondContact N-O 3.48Å; A174-V198 WeakPolarHBondContact O-CA 3.27Å; A174-F199 PolarHBondContact O-N 2.93Å
175I97.9Very high94.1Very high1 Ų146.3 Ų46.31%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-119.9110.6178.2-52.2172.6000107.6W63 V147 V148 L149 T150 V177 F199 I207 I210 I214W63-I175 HydrophobicContact CH2-CD1 3.41Å; W63-I175 VanDerWaalsContact CH2-CD1 3.41Å; W63-I175 HydrophobicContact CZ2-CD1 3.4Å; W63-I175 VanDerWaalsContact CZ2-CD1 3.4Å; V147-I175 HydrophobicContact CG1-CD1 3.5Å; V147-I175 HydrophobicContact CG1-CG1 4.19Å; V148-I175 PolarHBondContact O-N 2.94Å; L149-I175 WeakPolarHBondContact CA-O 3.01Å; T150-I175 PolarHBondContact N-O 3.29Å; I175-V177 HydrophobicContact CG2-CG2 4.46Å; I175-F199 CarbonylContact C-O 3.54Å; I175-F199 VanDerWaalsContact CA-O 3.31Å; I175-F199 WeakPolarHBondContact CA-O 3.36Å; I175-F199 HydrophobicContact CG1-CB 4.33Å; I175-F199 HydrophobicContact CG2-CB 4.46Å; I175-I207 HydrophobicContact CG2-CD1 4.42Å; I175-I210 HydrophobicContact CG2-CD1 3.84Å; I175-I214 HydrophobicContact CD1-CD1 3.46Å; I175-I214 VanDerWaalsContact CD1-CD1 3.46Å; I175-I214 HydrophobicContact CG1-CD1 4.13Å
176G96.8Very high94.1Very high0 Ų046.4 Ų46.40%024%0.244CC..EExtended strand (participates in β ladder)trans-89.4131.5169.500000111.1T150 F199 S200 V201T150-G176 WeakPolarHBondContact O-CA 3.31Å; G176-F199 PolarHBondContact N-O 2.83Å; G176-S200 WeakPolarHBondContact O-CA 3.35Å; G176-V201 PolarHBondContact O-N 3.36Å
177V96.3Very high94.1Very high2 Ų247.9 Ų47.91%0.01225%0.25CC..EExtended strand (participates in β ladder)trans-113.5124.6174-174.60000109.5L149 T150 D151 I175 V201 Y204 I207L149-V177 HydrophobicContact CD2-CG2 4.4Å; L149-V177 HydrophobicContact CG-CG2 4.49Å; T150-V177 PolarHBondContact O-N 3.35Å; D151-V177 VanDerWaalsContact CA-O 3.3Å; D151-V177 WeakPolarHBondContact CA-O 3.49Å; D151-V177 HydrophobicContact CB-CB 4.28Å; D151-V177 WeakPolarHBondContact CB-O 3.44Å; I175-V177 HydrophobicContact CG2-CG2 4.46Å; V177-V201 HydrophobicContact CB-CG2 4.2Å; V177-V201 HydrophobicContact CG1-CG2 4.11Å; V177-V201 HydrophobicContact CG2-CG2 3.86Å; V177-Y204 HydrophobicContact CB-CE1 4.22Å; V177-Y204 HydrophobicContact CG1-CD1 3.75Å; V177-Y204 HydrophobicContact CG1-CD2 3.69Å; V177-Y204 HydrophobicContact CG1-CE1 3.84Å; V177-Y204 HydrophobicContact CG1-CE2 3.79Å; V177-Y204 HydrophobicContact CG1-CG 3.67Å; V177-Y204 HydrophobicContact CG2-CD1 4.5Å; V177-Y204 HydrophobicContact CG2-CE1 4.3Å; V177-I207 HydrophobicContact CG2-CD1 3.92Å
178G92.1Very high94.2Very high16 Ų1643.8 Ų43.817%0.16524%0.235CC..SBendtrans81.5172177.300000115E180 T181 V201G178-E180 VanDerWaalsContact C-N 3.32Å; G178-E180 PolarHBondContact O-N 2.6Å; G178-T181 PolarHBondContact O-OG1 3.3Å; G178-V201 PolarHBondContact N-O 2.89Å
179P87.3Confident94.5Very high118 Ų11840.3 Ų40.377%0.76622%0.22SC*.THydrogen-bonded Turntrans-76.8-14.2-171.132.6-37.3000114.3T181P179-T181 PolarHBondContact O-N 3.35Å
180E85.9Confident94.8Very high143 Ų14338 Ų3867%0.66820%0.196SC*.THydrogen-bonded Turntrans-79.5-1.8-179.8-54.2-58.3140.100112.8K153 G178K153-E180 PolarHBondContact N-O 2.93Å; G178-E180 VanDerWaalsContact C-N 3.32Å; G178-E180 PolarHBondContact O-N 2.6Å
181T88.1Confident94.8Very high22 Ų2239.2 Ų39.214%0.13520%0.203CC..SBendtrans-85.4124.5175.9590000112.3T150 D151 G178 P179 E183T150-T181 HydrophobicContact CG2-CG2 4.47Å; D151-T181 WeakPolarHBondContact O-CG2 3.22Å; G178-T181 PolarHBondContact O-OG1 3.3Å; P179-T181 PolarHBondContact O-N 3.35Å; T181-E183 PolarHBondContact O-N 3.19Å
182E91.4Very high94.5Very high87 Ų8746.9 Ų46.941%0.40724%0.235SC..  trans-83.2114.1175.5-72.1-170.8-17000111.1K153 N184 E185 L186K153-E182 WeakPolarHBondContact CD-OE1 3.28Å; K153-E182 HydrophobicContact CG-CG 4.32Å; K153-E182 IonicContact NZ-OE1 3.11Å; K153-E182 PolarHBondContact NZ-OE1 3.07Å; K153-E182 IonicContact NZ-OE2 2.89Å; K153-E182 PolarHBondContact NZ-OE2 3.13Å; E182-N184 PolarHBondContact O-N 2.59Å; E182-N184 VanDerWaalsContact O-N 3.12Å; E182-E185 HydrophobicContact CB-CB 4.13Å; E182-E185 WeakPolarHBondContact O-CA 3.33Å; E182-E185 WeakPolarHBondContact O-CB 3.36Å; E182-E185 PolarHBondContact O-N 3.1Å; E182-L186 PolarHBondContact O-N 3.28Å
183E91.9Very high94.2Very high75 Ų7550.3 Ų50.335%0.3526%0.257SS..Hα-helixtrans-57.8-32.2-177.1-155.3-157.4151.200113.2T181 E185 L186 R187T181-E183 PolarHBondContact O-N 3.19Å; E183-E185 VanDerWaalsContact C-N 3.34Å; E183-L186 PolarHBondContact O-N 3.42Å; E183-R187 WeakPolarHBondContact O-CB 3.36Å; E183-R187 WeakPolarHBondContact O-CD 3.39Å; E183-R187 WeakPolarHBondContact O-CG 3.13Å; E183-R187 PolarHBondContact O-N 3.23Å; E183-R187 IonicContact OE1-CZ 2.83Å; E183-R187 IonicContact OE1-NE 3.21Å; E183-R187 PolarHBondContact OE1-NE 2.85Å; E183-R187 IonicContact OE1-NH2 2.79Å; E183-R187 PolarHBondContact OE1-NH2 2.83Å; E183-R187 IonicContact OE2-NH2 3.32Å
184N94Very high93.8Very high110 Ų11052 Ų5259%0.58827%0.269SS*.Hα-helixtrans-64.1-38174.6-69.3-32.9000112.1E182 R187 D188E182-N184 PolarHBondContact O-N 2.59Å; E182-N184 VanDerWaalsContact O-N 3.12Å; N184-R187 WeakPolarHBondContact O-CB 3.16Å; N184-R187 PolarHBondContact O-N 2.79Å; N184-D188 PolarHBondContact O-N 2.93Å
185E95.4Very high93.4Very high21 Ų2157.3 Ų57.310%0.09830%0.302CS..Hα-helixtrans-68.2-42.9177.7-166.9177.2113.300110.9K153 S154 V158 E182 E183 R187 D188 I189K153-E185 WeakPolarHBondContact CG-OE2 3.23Å; S154-E185 VanDerWaalsContact CB-OE1 3.22Å; S154-E185 WeakPolarHBondContact CB-OE1 3.34Å; S154-E185 PolarHBondContact N-OE1 2.88Å; S154-E185 PolarHBondContact N-OE2 3.46Å; V158-E185 HydrophobicContact CG1-CG 4.22Å; V158-E185 HydrophobicContact CG2-CG 3.55Å; E182-E185 HydrophobicContact CB-CB 4.13Å; E182-E185 WeakPolarHBondContact O-CA 3.33Å; E182-E185 WeakPolarHBondContact O-CB 3.36Å; E182-E185 PolarHBondContact O-N 3.1Å; E183-E185 VanDerWaalsContact C-N 3.34Å; E185-R187 VanDerWaalsContact C-N 3.28Å; E185-R187 PolarHBondContact O-N 2.77Å; E185-D188 PolarHBondContact O-N 3.47Å; E185-D188 VanDerWaalsContact O-N 3.12Å; E185-I189 HydrophobicContact CG-CD1 4.42Å; E185-I189 WeakPolarHBondContact O-CG1 3.06Å; E185-I189 PolarHBondContact O-N 3.09Å
186L97.4Very high93Very high2 Ų258.5 Ų58.51%0.0131%0.309CS..Hα-helixtrans-59.7-39.1173.1-56.8175.3000111.6T150 A174 E182 E183 I189 A190 V198T150-L186 HydrophobicContact CG2-CD2 3.65Å; A174-L186 HydrophobicContact CB-CB 4.07Å; A174-L186 HydrophobicContact CB-CD2 4.18Å; A174-L186 WeakPolarHBondContact CB-O 3.1Å; E182-L186 PolarHBondContact O-N 3.28Å; E183-L186 PolarHBondContact O-N 3.42Å; L186-I189 PolarHBondContact O-N 3.39Å; L186-A190 VanDerWaalsContact O-CB 3.28Å; L186-A190 WeakPolarHBondContact O-CB 3.37Å; L186-A190 PolarHBondContact O-N 3.18Å; L186-V198 HydrophobicContact CB-CG1 3.75Å; L186-V198 HydrophobicContact CB-CG2 4.48Å; L186-V198 HydrophobicContact CD1-CG1 4.19Å
187R97Very high92.9Very high101 Ų10159.4 Ų59.438%0.38131%0.313SS..Hα-helixtrans-68-30.1175.5-71.5166175.4-151.55113.3E183 N184 E185 V198E183-R187 WeakPolarHBondContact O-CB 3.36Å; E183-R187 WeakPolarHBondContact O-CD 3.39Å; E183-R187 WeakPolarHBondContact O-CG 3.13Å; E183-R187 PolarHBondContact O-N 3.23Å; E183-R187 IonicContact OE1-CZ 2.83Å; E183-R187 IonicContact OE1-NE 3.21Å; E183-R187 PolarHBondContact OE1-NE 2.85Å; E183-R187 IonicContact OE1-NH2 2.79Å; E183-R187 PolarHBondContact OE1-NH2 2.83Å; E183-R187 IonicContact OE2-NH2 3.32Å; N184-R187 WeakPolarHBondContact O-CB 3.16Å; N184-R187 PolarHBondContact O-N 2.79Å; E185-R187 VanDerWaalsContact C-N 3.28Å; E185-R187 PolarHBondContact O-N 2.77Å; R187-V198 HydrophobicContact CG-CG2 4.08Å
188D96.9Very high93Very high72 Ų7260.2 Ų60.239%0.38532%0.318SS..Hα-helixtrans-76.8-32174.6-76.9-18.3000112.3V158 M159 A162 R166 N184 E185V158-D188 HydrophobicContact CG2-CB 4.42Å; M159-D188 HydrophobicContact CB-CB 4.12Å; M159-D188 HydrophobicContact CG-CB 4.36Å; A162-D188 WeakPolarHBondContact CB-O 3.47Å; R166-D188 PolarHBondContact NH1-O 2.76Å; R166-D188 PolarHBondContact NH2-O 2.57Å; N184-D188 PolarHBondContact O-N 2.93Å; E185-D188 PolarHBondContact O-N 3.47Å; E185-D188 VanDerWaalsContact O-N 3.12Å
189I97.9Very high93.1Very high0 Ų060.6 Ų60.60%032%0.315CS..Hα-helixtrans-70.1-52.8172.4-66.7164.5000111.1T120 I124 V148 V158 R166 L172 A174 E185 L186T120-I189 HydrophobicContact CG2-CD1 3.83Å; I124-I189 HydrophobicContact CD1-CB 4.47Å; I124-I189 HydrophobicContact CD1-CD1 4.41Å; I124-I189 HydrophobicContact CD1-CG1 3.97Å; I124-I189 HydrophobicContact CD1-CG2 3.82Å; V148-I189 HydrophobicContact CB-CG2 4.18Å; V148-I189 HydrophobicContact CG1-CG2 4.49Å; V148-I189 HydrophobicContact CG2-CG2 3.88Å; V158-I189 HydrophobicContact CB-CD1 4.25Å; V158-I189 HydrophobicContact CB-CG1 3.84Å; V158-I189 HydrophobicContact CG1-CD1 4.33Å; V158-I189 HydrophobicContact CG1-CG1 4.46Å; V158-I189 HydrophobicContact CG2-CD1 4.29Å; V158-I189 HydrophobicContact CG2-CG1 3.8Å; R166-I189 PolarHBondContact NH1-O 3.18Å; L172-I189 VanDerWaalsContact CB-O 3.31Å; L172-I189 WeakPolarHBondContact CB-O 3.47Å; L172-I189 WeakPolarHBondContact CD1-O 3.19Å; A174-I189 HydrophobicContact CB-CB 4.14Å; A174-I189 HydrophobicContact CB-CG2 3.93Å; E185-I189 HydrophobicContact CG-CD1 4.42Å; E185-I189 WeakPolarHBondContact O-CG1 3.06Å; E185-I189 PolarHBondContact O-N 3.09Å; L186-I189 PolarHBondContact O-N 3.39Å
190A97.7Very high93.5Very high1 Ų158.5 Ų58.51%0.00830%0.303CS..SBendtrans-69.2166.7-168.200000114.8R166 L172 A174 L186 V198R166-A190 PolarHBondContact NH1-O 2.86Å; L172-A190 CarbonylContact O-C 3.56Å; L172-A190 WeakPolarHBondContact O-CA 3.32Å; A174-A190 HydrophobicContact CB-CB 3.96Å; L186-A190 VanDerWaalsContact O-CB 3.28Å; L186-A190 WeakPolarHBondContact O-CB 3.37Å; L186-A190 PolarHBondContact O-N 3.18Å; A190-V198 HydrophobicContact CB-CG2 3.47Å; A190-V198 VanDerWaalsContact CB-CG2 3.47Å
191N95.4Very high93.9Very high28 Ų2852.3 Ų52.315%0.1528%0.275CS..PPolyproline II helixtrans-71.6166165.2-85.232.4000111.5R166 L172 Y197R166-N191 VanDerWaalsContact CD-OD1 3.25Å; R166-N191 WeakPolarHBondContact CD-OD1 3.39Å; R166-N191 VanDerWaalsContact CG-OD1 3.31Å; R166-N191 WeakPolarHBondContact CG-OD1 3.36Å; L172-N191 PolarHBondContact N-OD1 3.06Å; L172-N191 PolarHBondContact O-N 3.43Å; N191-Y197 VanDerWaalsContact C-CD2 3.46Å; N191-Y197 HydrophobicContact CB-CD1 3.71Å; N191-Y197 HydrophobicContact CB-CD2 3.56Å; N191-Y197 HydrophobicContact CB-CE1 3.82Å; N191-Y197 HydrophobicContact CB-CE2 3.69Å; N191-Y197 HydrophobicContact CB-CG 3.57Å; N191-Y197 VanDerWaalsContact O-CD2 3.31Å; N191-Y197 WeakPolarHBondContact O-CD2 3.04Å
192K91.4Very high94.2Very high183 Ų18358.8 Ų58.880%0.79630%0.304SS*.SBendtrans-103.7143.6176.8-68.3-174.5178.8-178.80111Y197K192-Y197 WeakPolarHBondContact O-CE2 3.32Å
193P90.6Very high94.2Very high73 Ų7357.7 Ų57.747%0.47430%0.301SS..SBendcis-77.4146.41.732.8-35.6000112.6T195 T196 Y197P193-T195 PolarHBondContact O-N 3.41Å; P193-T195 VanDerWaalsContact O-N 3.13Å; P193-T196 PolarHBondContact O-N 3.15Å; P193-Y197 WeakPolarHBondContact O-CD2 3.32Å
194S91.1Very high94.2Very high37 Ų3755 Ų5526%0.25929%0.287SS..Hα-helixtrans-59-29.2-176.351.60000113.5T196 Y197 V198S194-T196 PolarHBondContact O-N 3.26Å; S194-Y197 PolarHBondContact O-N 3.48Å; S194-V198 WeakPolarHBondContact O-CB 3.36Å; S194-V198 PolarHBondContact O-N 3.4Å
195T87.9Confident94.1Very high112 Ų11256.6 Ų56.669%0.68729%0.289SS*.Hα-helixtrans-57.4-18174.352.10000114.5P193P193-T195 PolarHBondContact O-N 3.41Å; P193-T195 VanDerWaalsContact O-N 3.13Å
196T89.9Confident93.9Very high25 Ų2555.8 Ų55.815%0.15329%0.286CS..Hα-helixtrans-104.4-27.6-178.6-53.70000112.7P193 S194 K217P193-T196 PolarHBondContact O-N 3.15Å; S194-T196 PolarHBondContact O-N 3.26Å; T196-K217 HydrophobicContact CG2-CD 4.24Å
197Y95.6Very high93.6Very high19 Ų1955.7 Ų55.78%0.07529%0.285CS..Hα-helixtrans-119.8-9.7-169.4-57.7-85.4000114.6I171 F173 A174 N191 K192 P193 S194 E221I171-Y197 HydrophobicContact CG2-CD1 4.06Å; I171-Y197 HydrophobicContact CG2-CE1 3.53Å; F173-Y197 CarbonylContact C-O 3.54Å; F173-Y197 WeakPolarHBondContact CA-O 3.47Å; F173-Y197 AromaticContact CD1-CD1 3.85Å; F173-Y197 HydrophobicContact CD1-CD1 3.85Å; F173-Y197 HydrophobicContact CD1-CG 4.47Å; F173-Y197 HydrophobicContact CD2-CD1 4.28Å; F173-Y197 AromaticContact CE1-CD1 3.51Å; F173-Y197 HydrophobicContact CE1-CD1 3.51Å; F173-Y197 HydrophobicContact CE1-CE1 4.16Å; F173-Y197 HydrophobicContact CE1-CG 4.31Å; F173-Y197 AromaticContact CE2-CD1 3.97Å; F173-Y197 HydrophobicContact CE2-CD1 3.97Å; F173-Y197 HydrophobicContact CE2-CE1 4.2Å; F173-Y197 HydrophobicContact CG-CD1 4.23Å; F173-Y197 AromaticContact CZ-CD1 3.58Å; F173-Y197 HydrophobicContact CZ-CD1 3.58Å; F173-Y197 AromaticContact CZ-CE1 3.81Å; F173-Y197 HydrophobicContact CZ-CE1 3.81Å; A174-Y197 PolarHBondContact N-O 3.48Å; N191-Y197 VanDerWaalsContact C-CD2 3.46Å; N191-Y197 HydrophobicContact CB-CD1 3.71Å; N191-Y197 HydrophobicContact CB-CD2 3.56Å; N191-Y197 HydrophobicContact CB-CE1 3.82Å; N191-Y197 HydrophobicContact CB-CE2 3.69Å; N191-Y197 HydrophobicContact CB-CG 3.57Å; N191-Y197 VanDerWaalsContact O-CD2 3.31Å; N191-Y197 WeakPolarHBondContact O-CD2 3.04Å; K192-Y197 WeakPolarHBondContact O-CE2 3.32Å; P193-Y197 WeakPolarHBondContact O-CD2 3.32Å; S194-Y197 PolarHBondContact O-N 3.48Å; Y197-E221 HydrophobicContact CE1-CG 4.26Å; Y197-E221 PolarHBondContact OH-OE1 2.98Å; Y197-E221 VanDerWaalsContact OH-OE1 3.05Å
198V97.1Very high93.2Very high19 Ų1954.6 Ų54.612%0.11529%0.29CS..EExtended strand (participates in β ladder)trans-104.4127.3173.8-179.90000109.3A174 L186 R187 A190 S194A174-V198 WeakPolarHBondContact O-CA 3.27Å; L186-V198 HydrophobicContact CB-CG1 3.75Å; L186-V198 HydrophobicContact CB-CG2 4.48Å; L186-V198 HydrophobicContact CD1-CG1 4.19Å; R187-V198 HydrophobicContact CG-CG2 4.08Å; A190-V198 HydrophobicContact CB-CG2 3.47Å; A190-V198 VanDerWaalsContact CB-CG2 3.47Å; S194-V198 WeakPolarHBondContact O-CB 3.36Å; S194-V198 PolarHBondContact O-N 3.4Å
199F96.1Very high92.9Very high25 Ų2559.4 Ų59.411%0.1130%0.303CS..EExtended strand (participates in β ladder)trans-124.3136.1174-64.7-88.9000108.9F173 A174 I175 G176 I210 V213 I214 K217F173-F199 AromaticContact CD1-CE2 3.93Å; F173-F199 HydrophobicContact CD1-CE2 3.93Å; F173-F199 HydrophobicContact CE1-CE2 4.31Å; A174-F199 PolarHBondContact O-N 2.93Å; I175-F199 CarbonylContact C-O 3.54Å; I175-F199 VanDerWaalsContact CA-O 3.31Å; I175-F199 WeakPolarHBondContact CA-O 3.36Å; I175-F199 HydrophobicContact CG1-CB 4.33Å; I175-F199 HydrophobicContact CG2-CB 4.46Å; G176-F199 PolarHBondContact N-O 2.83Å; F199-I210 HydrophobicContact CB-CD1 4.27Å; F199-V213 HydrophobicContact CE1-CB 4.37Å; F199-V213 HydrophobicContact CE1-CG1 3.71Å; F199-V213 HydrophobicContact CZ-CG1 4.23Å; F199-I214 HydrophobicContact CD1-CG1 4.48Å; F199-I214 HydrophobicContact CD2-CG1 4.29Å; F199-I214 HydrophobicContact CE1-CG1 4.4Å; F199-I214 HydrophobicContact CE2-CG1 4.22Å; F199-I214 HydrophobicContact CG-CD1 4.5Å; F199-I214 HydrophobicContact CG-CG1 4.44Å; F199-I214 HydrophobicContact CZ-CG1 4.27Å; F199-K217 HydrophobicContact CZ-CG 4.14Å
200S94.7Very high92.6Very high73 Ų7360.4 Ų60.451%0.5131%0.308SS..EExtended strand (participates in β ladder)trans-125.8132.6173-58.20000108.9G176G176-S200 WeakPolarHBondContact O-CA 3.35Å
201V95.3Very high92.3Very high14 Ų1460.8 Ų60.89%0.08531%0.31CS..EExtended strand (participates in β ladder)trans-126143.9176.5-67.40000111.3G176 V177 G178 D203 A206 I207 I210G176-V201 PolarHBondContact O-N 3.36Å; V177-V201 HydrophobicContact CB-CG2 4.2Å; V177-V201 HydrophobicContact CG1-CG2 4.11Å; V177-V201 HydrophobicContact CG2-CG2 3.86Å; G178-V201 PolarHBondContact N-O 2.89Å; V201-D203 VanDerWaalsContact C-N 3.33Å; V201-D203 PolarHBondContact O-N 3.43Å; V201-A206 HydrophobicContact CB-CB 4.19Å; V201-I207 HydrophobicContact CG2-CB 4.26Å; V201-I207 HydrophobicContact CG2-CG1 4.18Å; V201-I210 HydrophobicContact CG1-CD1 3.81Å; V201-I210 HydrophobicContact CG1-CG1 4.21Å; V201-I210 HydrophobicContact CG1-CG2 3.65Å
202E92.8Very high92.1Very high158 Ų15864.8 Ų64.874%0.73833%0.328SS*.SBendtrans-63.6-35.8-174.7-60.2171.1153.900113.1R209E202-R209 IonicContact OE2-NH1 2.94Å
203D92.9Very high92.1Very high64 Ų6459.4 Ų59.434%0.34231%0.31SS..SBendtrans-154.2172.6177.575.37.9000111.9V201 K205 A206 I207V201-D203 VanDerWaalsContact C-N 3.33Å; V201-D203 PolarHBondContact O-N 3.43Å; D203-K205 PolarHBondContact O-N 3.11Å; D203-K205 WeakPolarHBondContact OD1-CA 3.25Å; D203-K205 WeakPolarHBondContact OD1-CB 3.39Å; D203-K205 PolarHBondContact OD1-N 3.5Å; D203-A206 WeakPolarHBondContact O-CB 3.27Å; D203-A206 PolarHBondContact O-N 2.84Å; D203-A206 WeakPolarHBondContact OD1-CB 3.43Å; D203-A206 PolarHBondContact OD1-N 3.21Å; D203-I207 PolarHBondContact O-N 2.83Å
204Y91.3Very high92.3Very high18 Ų1856 Ų567%0.07129%0.287CS..THydrogen-bonded Turntrans-63.4-20.4176.5-72.3-85.6000114.3V52 N56 I59 V60 D151 V177 I207V52-Y204 WeakPolarHBondContact CA-OH 3.43Å; V52-Y204 HydrophobicContact CG1-CE1 4.28Å; V52-Y204 WeakPolarHBondContact CG1-OH 3.15Å; V52-Y204 WeakPolarHBondContact CG2-OH 3.43Å; N56-Y204 HydrophobicContact CB-CD1 3.87Å; N56-Y204 HydrophobicContact CB-CD2 3.44Å; N56-Y204 VanDerWaalsContact CB-CD2 3.44Å; N56-Y204 HydrophobicContact CB-CE1 4.12Å; N56-Y204 HydrophobicContact CB-CE2 3.71Å; N56-Y204 HydrophobicContact CB-CG 3.52Å; I59-Y204 VanDerWaalsContact CG2-O 3.29Å; I59-Y204 WeakPolarHBondContact CG2-O 3.26Å; V60-Y204 HydrophobicContact CG2-CD1 3.76Å; V60-Y204 HydrophobicContact CG2-CE1 3.61Å; D151-Y204 HydrophobicContact CB-CE2 4.5Å; D151-Y204 WeakPolarHBondContact CB-OH 3.17Å; D151-Y204 VanDerWaalsContact CG-OH 3.24Å; D151-Y204 PolarHBondContact OD2-OH 3.09Å; D151-Y204 VanDerWaalsContact OD2-OH 3.06Å; V177-Y204 HydrophobicContact CB-CE1 4.22Å; V177-Y204 HydrophobicContact CG1-CD1 3.75Å; V177-Y204 HydrophobicContact CG1-CD2 3.69Å; V177-Y204 HydrophobicContact CG1-CE1 3.84Å; V177-Y204 HydrophobicContact CG1-CE2 3.79Å; V177-Y204 HydrophobicContact CG1-CG 3.67Å; V177-Y204 HydrophobicContact CG2-CD1 4.5Å; V177-Y204 HydrophobicContact CG2-CE1 4.3Å; Y204-I207 WeakPolarHBondContact O-CG2 3.39Å
205K90.8Very high92.4Very high144 Ų14456.1 Ų56.163%0.62628%0.282SS*.THydrogen-bonded Turntrans-77.7-38.1176.4-62.2166.8-173.51600109.8I59 D203 I207 T208I59-K205 HydrophobicContact CD1-CG 4.5Å; D203-K205 PolarHBondContact O-N 3.11Å; D203-K205 WeakPolarHBondContact OD1-CA 3.25Å; D203-K205 WeakPolarHBondContact OD1-CB 3.39Å; D203-K205 PolarHBondContact OD1-N 3.5Å; K205-I207 PolarHBondContact O-N 3.41Å; K205-T208 PolarHBondContact O-N 2.67Å; K205-T208 PolarHBondContact O-OG1 3.26Å
206A92.8Very high92.7Very high3 Ų351.5 Ų51.53%0.02525%0.253CS..G310 helixtrans-65.6-21.2175.100000113.1V201 D203 T208 R209V201-A206 HydrophobicContact CB-CB 4.19Å; D203-A206 WeakPolarHBondContact O-CB 3.27Å; D203-A206 PolarHBondContact O-N 2.84Å; D203-A206 WeakPolarHBondContact OD1-CB 3.43Å; D203-A206 PolarHBondContact OD1-N 3.21Å; A206-T208 PolarHBondContact O-N 3.49Å; A206-T208 VanDerWaalsContact O-N 3.09Å; A206-R209 VanDerWaalsContact O-CB 3.25Å; A206-R209 WeakPolarHBondContact O-CB 3.41Å; A206-R209 WeakPolarHBondContact O-CG 3.46Å; A206-R209 PolarHBondContact O-N 2.9Å
207I90.9Very high92.9Very high0 Ų050.9 Ų50.90%025%0.248CC..G310 helixtrans-57.9-24.4174.2-144.8179.6000113.1I59 W63 L149 I175 V177 V201 D203 Y204 K205 R209 I210I59-I207 HydrophobicContact CG2-CG2 4.36Å; W63-I207 HydrophobicContact CB-CG2 4.15Å; W63-I207 VanDerWaalsContact CD1-O 3.24Å; W63-I207 HydrophobicContact CD2-CD1 4.18Å; W63-I207 HydrophobicContact CG-CD1 4.31Å; W63-I207 HydrophobicContact CG-CG1 4.43Å; W63-I207 HydrophobicContact CG-CG2 4Å; W63-I207 PolarHBondContact NE1-O 3.43Å; L149-I207 HydrophobicContact CD1-CD1 3.48Å; L149-I207 VanDerWaalsContact CD1-CD1 3.48Å; L149-I207 HydrophobicContact CG-CD1 4.22Å; I175-I207 HydrophobicContact CG2-CD1 4.42Å; V177-I207 HydrophobicContact CG2-CD1 3.92Å; V201-I207 HydrophobicContact CG2-CB 4.26Å; V201-I207 HydrophobicContact CG2-CG1 4.18Å; D203-I207 PolarHBondContact O-N 2.83Å; Y204-I207 WeakPolarHBondContact O-CG2 3.39Å; K205-I207 PolarHBondContact O-N 3.41Å; I207-R209 VanDerWaalsContact C-N 3.27Å; I207-R209 PolarHBondContact O-N 3.16Å; I207-I210 HydrophobicContact CG1-CD1 3.96Å; I207-I210 HydrophobicContact CG1-CG1 4.24Å; I207-I210 WeakPolarHBondContact O-CG1 3.36Å; I207-I210 PolarHBondContact O-N 2.97Å
208T88.4Confident92.8Very high79 Ų7950 Ų5049%0.48525%0.245SC..G310 helixtrans-67.4-26.8173.961.30000113.1K205 A206 I211K205-T208 PolarHBondContact O-N 2.67Å; K205-T208 PolarHBondContact O-OG1 3.26Å; A206-T208 PolarHBondContact O-N 3.49Å; A206-T208 VanDerWaalsContact O-N 3.09Å; T208-I211 WeakPolarHBondContact O-CG1 3.26Å
209R90.7Very high92.6Very high172 Ų17249.3 Ų49.365%0.64924%0.24SC*.THydrogen-bonded Turntrans-71.5-32.1-179.4-55.6175.6-175.11573.7112.1E202 A206 I207E202-R209 IonicContact OE2-NH1 2.94Å; A206-R209 VanDerWaalsContact O-CB 3.25Å; A206-R209 WeakPolarHBondContact O-CB 3.41Å; A206-R209 WeakPolarHBondContact O-CG 3.46Å; A206-R209 PolarHBondContact O-N 2.9Å; I207-R209 VanDerWaalsContact C-N 3.27Å; I207-R209 PolarHBondContact O-N 3.16Å
210I92.1Very high92.4Very high22 Ų2248.3 Ų48.311%0.11324%0.236CC..THydrogen-bonded Turntrans-84.9-5.5-177.963.9170.3000113.9I175 F199 V201 I207 Q212 V213 I214I175-I210 HydrophobicContact CG2-CD1 3.84Å; F199-I210 HydrophobicContact CB-CD1 4.27Å; V201-I210 HydrophobicContact CG1-CD1 3.81Å; V201-I210 HydrophobicContact CG1-CG1 4.21Å; V201-I210 HydrophobicContact CG1-CG2 3.65Å; I207-I210 HydrophobicContact CG1-CD1 3.96Å; I207-I210 HydrophobicContact CG1-CG1 4.24Å; I207-I210 WeakPolarHBondContact O-CG1 3.36Å; I207-I210 PolarHBondContact O-N 2.97Å; I210-Q212 VanDerWaalsContact C-N 3.25Å; I210-Q212 PolarHBondContact O-N 3.32Å; I210-V213 PolarHBondContact O-N 2.87Å; I210-I214 HydrophobicContact CB-CD1 4.31Å; I210-I214 HydrophobicContact CD1-CD1 3.53Å; I210-I214 HydrophobicContact CG1-CD1 3.87Å; I210-I214 PolarHBondContact O-N 2.85Å
211I91.1Very high92.2Very high9 Ų945.4 Ų45.45%0.04622%0.215CC..Hα-helixtrans-52.6-44.7179.9-69.5175.1000111.3W63 N66 I67 T208 R215W63-I211 VanDerWaalsContact CD1-CG1 3.42Å; W63-I211 HydrophobicContact CG-CG1 4.49Å; N66-I211 HydrophobicContact CB-CD1 4.07Å; I67-I211 HydrophobicContact CG1-CG1 4.36Å; I67-I211 HydrophobicContact CG1-CG2 4.07Å; T208-I211 WeakPolarHBondContact O-CG1 3.26Å; I211-R215 VanDerWaalsContact O-CB 3.24Å; I211-R215 WeakPolarHBondContact O-CB 3.4Å; I211-R215 PolarHBondContact O-N 3.01Å
212Q90.3Very high91.9Very high112 Ų11245.4 Ų45.452%0.52322%0.215SC..Hα-helixtrans-68.8-41.7-178-61.2-61.2300112.7I210 R215 Q216I210-Q212 VanDerWaalsContact C-N 3.25Å; I210-Q212 PolarHBondContact O-N 3.32Å; Q212-R215 PolarHBondContact O-N 3.39Å; Q212-Q216 WeakPolarHBondContact O-CB 3.48Å; Q212-Q216 PolarHBondContact O-N 2.98Å
213V92.6Very high91.8Very high69 Ų6937.9 Ų37.942%0.41818%0.18SC..Hα-helixtrans-67.4-42.8178.7-171.30000110.6F199 I210 Q216 K217F199-V213 HydrophobicContact CE1-CB 4.37Å; F199-V213 HydrophobicContact CE1-CG1 3.71Å; F199-V213 HydrophobicContact CZ-CG1 4.23Å; I210-V213 PolarHBondContact O-N 2.87Å; V213-Q216 PolarHBondContact O-N 2.89Å; V213-K217 WeakPolarHBondContact O-CG 3.29Å; V213-K217 PolarHBondContact O-N 2.95Å
214I94.1Very high91.5Very high1 Ų135 Ų351%0.00516%0.164CC..Hα-helixtrans-66.4-43.1176.4-70.4174.2000110.9W63 I67 I175 F199 I210 Q216 K217 L218W63-I214 HydrophobicContact CZ2-CD1 3.84Å; I67-I214 HydrophobicContact CD1-CB 4.46Å; I67-I214 HydrophobicContact CD1-CG2 3.95Å; I175-I214 HydrophobicContact CD1-CD1 3.46Å; I175-I214 VanDerWaalsContact CD1-CD1 3.46Å; I175-I214 HydrophobicContact CG1-CD1 4.13Å; F199-I214 HydrophobicContact CD1-CG1 4.48Å; F199-I214 HydrophobicContact CD2-CG1 4.29Å; F199-I214 HydrophobicContact CE1-CG1 4.4Å; F199-I214 HydrophobicContact CE2-CG1 4.22Å; F199-I214 HydrophobicContact CG-CD1 4.5Å; F199-I214 HydrophobicContact CG-CG1 4.44Å; F199-I214 HydrophobicContact CZ-CG1 4.27Å; I210-I214 HydrophobicContact CB-CD1 4.31Å; I210-I214 HydrophobicContact CD1-CD1 3.53Å; I210-I214 HydrophobicContact CG1-CD1 3.87Å; I210-I214 PolarHBondContact O-N 2.85Å; I214-Q216 VanDerWaalsContact C-N 3.29Å; I214-Q216 PolarHBondContact O-N 2.86Å; I214-K217 PolarHBondContact O-N 3.12Å; I214-L218 HydrophobicContact CG2-CD1 3.84Å; I214-L218 HydrophobicContact CG2-CG 4.02Å; I214-L218 WeakPolarHBondContact O-CB 3.37Å; I214-L218 VanDerWaalsContact O-CG 3.26Å; I214-L218 WeakPolarHBondContact O-CG 3.43Å; I214-L218 PolarHBondContact O-N 2.8Å
215R93.3Very high90.4Very high41 Ų4138.9 Ų38.916%0.15519%0.192CC..Hα-helixtrans-54.7-47.6173.9-178.3172.969.3116.80.2111.1S70 I211 Q212 L218 C219 E371S70-R215 WeakPolarHBondContact OG-CD 3.32Å; I211-R215 VanDerWaalsContact O-CB 3.24Å; I211-R215 WeakPolarHBondContact O-CB 3.4Å; I211-R215 PolarHBondContact O-N 3.01Å; Q212-R215 PolarHBondContact O-N 3.39Å; R215-L218 PolarHBondContact O-N 2.9Å; R215-C219 PolarHBondContact O-N 2.86Å; R215-C219 PolarHBondContact O-SG 3.47Å; R215-E371 IonicContact CZ-OE1 2.76Å; R215-E371 IonicContact CZ-OE2 2.66Å; R215-E371 IonicContact NH1-OE1 3.48Å; R215-E371 PolarHBondContact NH1-OE1 2.89Å; R215-E371 IonicContact NH1-OE2 3.4Å; R215-E371 PolarHBondContact NH1-OE2 2.91Å; R215-E371 IonicContact NH2-OE1 3.5Å; R215-E371 PolarHBondContact NH2-OE1 3.18Å; R215-E371 IonicContact NH2-OE2 2.82Å; R215-E371 PolarHBondContact NH2-OE2 3.15Å
216Q93.7Very high89.7Confident15 Ų1534 Ų347%0.0718%0.178CC..Hα-helixtrans-60-48.4175.2175.360.831.700112.1Q212 V213 I214 L218 C219 E220 S289 C423 P425Q212-Q216 WeakPolarHBondContact O-CB 3.48Å; Q212-Q216 PolarHBondContact O-N 2.98Å; V213-Q216 PolarHBondContact O-N 2.89Å; I214-Q216 VanDerWaalsContact C-N 3.29Å; I214-Q216 PolarHBondContact O-N 2.86Å; Q216-L218 PolarHBondContact O-N 3.37Å; Q216-C219 WeakPolarHBondContact O-CA 3.49Å; Q216-C219 WeakPolarHBondContact O-CB 3.33Å; Q216-C219 PolarHBondContact O-N 2.76Å; Q216-C219 VanDerWaalsContact O-N 3.13Å; Q216-E220 WeakPolarHBondContact CG-OE1 3.35Å; Q216-E220 PolarHBondContact NE2-OE1 2.92Å; Q216-E220 WeakPolarHBondContact O-CG 3.1Å; Q216-E220 PolarHBondContact O-N 3.13Å; Q216-S289 PolarHBondContact NE2-O 2.77Å; Q216-C423 PolarHBondContact NE2-O 3.16Å; Q216-P425 HydrophobicContact CG-CG 4.35Å
217K93.7Very high89.1Confident11 Ų1140.2 Ų40.25%0.04821%0.205CC..Hα-helixtrans-67.6-35.4179.1-63.9-42.9-177.1-171.30113.7F173 T196 F199 V213 I214 C219 E220 E221 D424F173-K217 HydrophobicContact CE1-CB 3.78Å; F173-K217 HydrophobicContact CZ-CB 4.05Å; T196-K217 HydrophobicContact CG2-CD 4.24Å; F199-K217 HydrophobicContact CZ-CG 4.14Å; V213-K217 WeakPolarHBondContact O-CG 3.29Å; V213-K217 PolarHBondContact O-N 2.95Å; I214-K217 PolarHBondContact O-N 3.12Å; K217-C219 VanDerWaalsContact C-N 3.3Å; K217-C219 PolarHBondContact O-N 3.2Å; K217-E220 VanDerWaalsContact CD-CD 3.45Å; K217-E220 WeakPolarHBondContact CD-OE1 3.22Å; K217-E220 WeakPolarHBondContact CD-OE2 3.47Å; K217-E220 IonicContact NZ-OE1 3.01Å; K217-E220 PolarHBondContact NZ-OE1 3.29Å; K217-E220 IonicContact NZ-OE2 3.9Å; K217-E220 PolarHBondContact NZ-OE2 3.13Å; K217-E220 PolarHBondContact O-N 3.14Å; K217-E221 WeakPolarHBondContact O-CG 3.03Å; K217-E221 PolarHBondContact O-N 3.29Å; K217-E221 VanDerWaalsContact O-N 3.09Å; K217-D424 IonicContact NZ-OD1 2.64Å; K217-D424 PolarHBondContact NZ-OD1 3.32Å; K217-D424 IonicContact NZ-OD2 3.12Å
218L94.1Very high88.6Confident2 Ų240.3 Ų40.31%0.0121%0.205CC..Hα-helixtrans-62.1-39.1170.2-69177.5000111.1L42 I67 F71 I145 V147 F173 I214 R215 Q216 E221 T222L42-L218 HydrophobicContact CD1-CD1 4.28Å; L42-L218 HydrophobicContact CD1-CD2 3.88Å; L42-L218 HydrophobicContact CD2-CD1 4.23Å; I67-L218 HydrophobicContact CG2-CD1 3.99Å; F71-L218 HydrophobicContact CE2-CD1 4.26Å; F71-L218 HydrophobicContact CZ-CB 4.03Å; F71-L218 HydrophobicContact CZ-CD1 4.01Å; I145-L218 HydrophobicContact CD1-CD2 4.12Å; I145-L218 HydrophobicContact CG2-CD2 3.64Å; V147-L218 HydrophobicContact CG2-CD2 4.12Å; F173-L218 HydrophobicContact CD2-CD2 4.21Å; F173-L218 HydrophobicContact CE2-CD2 3.95Å; I214-L218 HydrophobicContact CG2-CD1 3.84Å; I214-L218 HydrophobicContact CG2-CG 4.02Å; I214-L218 WeakPolarHBondContact O-CB 3.37Å; I214-L218 VanDerWaalsContact O-CG 3.26Å; I214-L218 WeakPolarHBondContact O-CG 3.43Å; I214-L218 PolarHBondContact O-N 2.8Å; R215-L218 PolarHBondContact O-N 2.9Å; Q216-L218 PolarHBondContact O-N 3.37Å; L218-E221 PolarHBondContact O-N 3.12Å; L218-T222 WeakPolarHBondContact O-CG2 3.18Å; L218-T222 PolarHBondContact O-N 2.91Å; L218-T222 VanDerWaalsContact O-N 3.14Å; L218-T222 PolarHBondContact O-OG1 2.86Å
219C92.8Very high87.9Confident3 Ų341 Ų412%0.0221%0.211CC..Hα-helixtrans-65.3-42173.3-66.30000113C35 R215 Q216 K217 E221 T222 V223 P287 P288C35-C219 HydrophobicContact CB-CB 3.64Å; C35-C219 WeakPolarHBondContact CB-SG 3.47Å; C35-C219 WeakPolarHBondContact SG-CA 3.4Å; C35-C219 WeakPolarHBondContact SG-CB 3.45Å; C35-C219 CovalentContact SG-SG 2.02Å; C35-C219 PolarHBondContact SG-SG 3Å; R215-C219 PolarHBondContact O-N 2.86Å; R215-C219 PolarHBondContact O-SG 3.47Å; Q216-C219 WeakPolarHBondContact O-CA 3.49Å; Q216-C219 WeakPolarHBondContact O-CB 3.33Å; Q216-C219 PolarHBondContact O-N 2.76Å; Q216-C219 VanDerWaalsContact O-N 3.13Å; K217-C219 VanDerWaalsContact C-N 3.3Å; K217-C219 PolarHBondContact O-N 3.2Å; C219-E221 PolarHBondContact O-N 3.17Å; C219-T222 WeakPolarHBondContact CA-OG1 3.5Å; C219-T222 PolarHBondContact O-N 2.02Å; C219-T222 VanDerWaalsContact O-N 3.13Å; C219-T222 PolarHBondContact O-OG1 2.83Å; C219-V223 WeakPolarHBondContact O-CG2 3.46Å; C219-V223 PolarHBondContact O-N 3.16Å; C219-P287 HydrophobicContact CB-CB 3.92Å; C219-P288 WeakPolarHBondContact SG-CD 3.43Å
220E92.2Very high87.1Confident4 Ų435 Ų352%0.01919%0.192CC..Hα-helixtrans-60.1-29.7174-70.9170.4-146.200112.8Q216 K217 C224 K236 C423Q216-E220 WeakPolarHBondContact CG-OE1 3.35Å; Q216-E220 PolarHBondContact NE2-OE1 2.92Å; Q216-E220 WeakPolarHBondContact O-CG 3.1Å; Q216-E220 PolarHBondContact O-N 3.13Å; K217-E220 VanDerWaalsContact CD-CD 3.45Å; K217-E220 WeakPolarHBondContact CD-OE1 3.22Å; K217-E220 WeakPolarHBondContact CD-OE2 3.47Å; K217-E220 IonicContact NZ-OE1 3.01Å; K217-E220 PolarHBondContact NZ-OE1 3.29Å; K217-E220 IonicContact NZ-OE2 3.9Å; K217-E220 PolarHBondContact NZ-OE2 3.13Å; K217-E220 PolarHBondContact O-N 3.14Å; E220-C224 WeakPolarHBondContact O-CB 3.39Å; E220-K236 HydrophobicContact CB-CD 4.45Å; E220-K236 PolarHBondContact O-NZ 3.32Å; E220-C423 HydrophobicContact CG-CB 3.98Å; E220-C423 WeakPolarHBondContact CG-O 3.49Å
221E90.4Very high85.6Confident13 Ų1342.5 Ų42.56%0.06123%0.231CC..Hα-helixtrans-81-23.8173.8-66.9-48.1124.400114.8S143 I145 I171 F173 Y197 K217 L218 C219 K236S143-E221 WeakPolarHBondContact CB-O 3.48Å; S143-E221 PolarHBondContact OG-O 2.98Å; I145-E221 HydrophobicContact CD1-CB 3.52Å; I145-E221 HydrophobicContact CD1-CG 4.42Å; I145-E221 HydrophobicContact CG1-CB 4.31Å; I171-E221 HydrophobicContact CD1-CB 4.21Å; I171-E221 HydrophobicContact CD1-CG 4.35Å; I171-E221 WeakPolarHBondContact CD1-OE2 3.48Å; I171-E221 HydrophobicContact CG2-CG 4.04Å; F173-E221 HydrophobicContact CE2-CG 3.89Å; F173-E221 HydrophobicContact CZ-CG 3.76Å; Y197-E221 HydrophobicContact CE1-CG 4.26Å; Y197-E221 PolarHBondContact OH-OE1 2.98Å; Y197-E221 VanDerWaalsContact OH-OE1 3.05Å; K217-E221 WeakPolarHBondContact O-CG 3.03Å; K217-E221 PolarHBondContact O-N 3.29Å; K217-E221 VanDerWaalsContact O-N 3.09Å; L218-E221 PolarHBondContact O-N 3.12Å; C219-E221 PolarHBondContact O-N 3.17Å; E221-K236 WeakPolarHBondContact OE1-CE 3.47Å; E221-K236 IonicContact OE1-NZ 3.88Å; E221-K236 PolarHBondContact OE1-NZ 2.89Å; E221-K236 IonicContact OE2-NZ 2.77Å; E221-K236 PolarHBondContact OE2-NZ 3.32Å
222T89.8Confident84.2Confident14 Ų1447.2 Ų47.29%0.08627%0.265CS..Hα-helixtrans-94.2-43.3-177.753.60000113.6C40 I145 L218 C219C40-T222 HydrophobicContact CB-CG2 3.61Å; C40-T222 VanDerWaalsContact SG-CG2 3.57Å; I145-T222 HydrophobicContact CD1-CG2 3.93Å; L218-T222 WeakPolarHBondContact O-CG2 3.18Å; L218-T222 PolarHBondContact O-N 2.91Å; L218-T222 VanDerWaalsContact O-N 3.14Å; L218-T222 PolarHBondContact O-OG1 2.86Å; C219-T222 WeakPolarHBondContact CA-OG1 3.5Å; C219-T222 PolarHBondContact O-N 2.02Å; C219-T222 VanDerWaalsContact O-N 3.13Å; C219-T222 PolarHBondContact O-OG1 2.83Å
223V89.3Confident83.1Confident0 Ų049 Ų490%027%0.267CS..Hα-helixtrans-101.4-10.7-171.8-50.80000114.7C35 A38 C219 P225 F238 D284 P287C35-V223 HydrophobicContact CB-CG1 3.99Å; A38-V223 HydrophobicContact CB-CG1 3.9Å; C219-V223 WeakPolarHBondContact O-CG2 3.46Å; C219-V223 PolarHBondContact O-N 3.16Å; V223-P225 VanDerWaalsContact C-CD 3.44Å; V223-P225 WeakPolarHBondContact O-CD 3.5Å; V223-F238 WeakPolarHBondContact O-CZ 3.21Å; V223-D284 HydrophobicContact CB-CB 4.43Å; V223-D284 HydrophobicContact CG1-CB 4.18Å; V223-D284 WeakPolarHBondContact CG1-O 3.25Å; V223-P287 HydrophobicContact CG2-CB 4.18Å; V223-P287 HydrophobicContact CG2-CG 4.43Å
224C87Confident82.4Confident3 Ų350.2 Ų50.22%0.0227%0.271CS..  trans-113.479.1-175.3-55.40000112E220 A226 K236 F238 C423E220-C224 WeakPolarHBondContact O-CB 3.39Å; C224-A226 VanDerWaalsContact C-N 3.33Å; C224-A226 PolarHBondContact O-N 2.93Å; C224-K236 HydrophobicContact CB-CB 4.39Å; C224-F238 HydrophobicContact CB-CZ 4.46Å; C224-C423 HydrophobicContact CB-CB 3.82Å; C224-C423 WeakPolarHBondContact CB-SG 3.39Å; C224-C423 WeakPolarHBondContact SG-CB 3.21Å; C224-C423 CovalentContact SG-SG 2.02Å; C224-C423 PolarHBondContact SG-SG 2.83Å
225P69.4Low82Confident99 Ų9951.2 Ų51.264%0.64328%0.276SS*.  trans-75.7-19.5-176.331.5-37.7000113.5V223 P283V223-P225 VanDerWaalsContact C-CD 3.44Å; V223-P225 WeakPolarHBondContact O-CD 3.5Å; P225-P283 HydrophobicContact CG-CG 4.49Å
226A74.3Confident81.7Confident42 Ų4251 Ų5135%0.34728%0.277SS..PPolyproline II helixtrans-94.4139.7-175.200000112.2C224 G237C224-A226 VanDerWaalsContact C-N 3.33Å; C224-A226 PolarHBondContact O-N 2.93Å; A226-G237 VanDerWaalsContact CB-O 3.27Å; A226-G237 WeakPolarHBondContact CB-O 3.24Å; A226-G237 PolarHBondContact O-N 2.7Å; A226-G237 VanDerWaalsContact O-N 3.11Å
227K79.9Confident81.6Confident133 Ų13350.3 Ų50.358%0.57827%0.273SS*.EExtended strand (participates in β ladder)trans-102.8125.4169.9-72.3176.1151.3-150.90108.9D234 E235K227-D234 HydrophobicContact CB-CB 4.24Å; K227-D234 HydrophobicContact CD-CB 4.03Å; K227-D234 WeakPolarHBondContact CD-OD2 3.43Å; K227-D234 HydrophobicContact CG-CB 4.29Å; K227-D234 IonicContact NZ-OD2 2.58Å; K227-D234 PolarHBondContact NZ-OD2 3.19Å; K227-E235 WeakPolarHBondContact CA-O 3.3Å
228I81.3Confident81.4Confident3 Ų350.1 Ų50.12%0.01527%0.272CS..EExtended strand (participates in β ladder)trans-90.9116.5172.5-56.7-177.5000107.2I230 E235 D239 R420 Y422I228-I230 HydrophobicContact CG2-CG1 4.39Å; I228-I230 PolarHBondContact O-N 2.67Å; I228-E235 PolarHBondContact N-O 2.92Å; I228-E235 PolarHBondContact O-N 2.85Å; I228-D239 HydrophobicContact CD1-CB 4.46Å; I228-D239 HydrophobicContact CG1-CB 4.41Å; I228-R420 HydrophobicContact CD1-CB 4.28Å; I228-R420 HydrophobicContact CD1-CG 4.19Å; I228-Y422 HydrophobicContact CD1-CD1 3.86Å; I228-Y422 HydrophobicContact CD1-CE1 3.78Å; I228-Y422 HydrophobicContact CG2-CE1 4.33Å
229P73.9Confident81.3Confident92 Ų9251.4 Ų51.460%0.59728%0.279SS*.EExtended strand (participates in β ladder)trans-69.3124.817228.5-32.7000109.6
230I73.4Confident81.2Confident48 Ų4851.2 Ų51.225%0.24628%0.278CS..EExtended strand (participates in β ladder)trans-117.8153167.2-49.4-170.4000106.8I228 S232 R233 E235 Y422I228-I230 HydrophobicContact CG2-CG1 4.39Å; I228-I230 PolarHBondContact O-N 2.67Å; I230-S232 PolarHBondContact O-N 2.87Å; I230-R233 PolarHBondContact N-O 3.41Å; I230-R233 PolarHBondContact O-N 2.61Å; I230-R233 VanDerWaalsContact O-O 3.04Å; I230-E235 HydrophobicContact CD1-CB 3.95Å; I230-E235 HydrophobicContact CD1-CG 3.48Å; I230-E235 VanDerWaalsContact CD1-CG 3.48Å; I230-E235 HydrophobicContact CG1-CB 4.48Å; I230-E235 HydrophobicContact CG1-CG 4.2Å; I230-Y422 HydrophobicContact CD1-CE1 3.86Å
231D60.9Low81.1Confident178 Ų17851.7 Ų51.795%0.95228%0.281SS*.THydrogen-bonded Turntrans-56.8-6.7-165.5-58.4-52.2000116.7
232S60.8Low81Confident108 Ų10857.1 Ų57.176%0.75531%0.309SS*.THydrogen-bonded Turntrans-133.5-10171.861.70000115.8I230I230-S232 PolarHBondContact O-N 2.87Å
233R68.4Low80.8Confident149 Ų14958.5 Ų58.556%0.56232%0.32SS*.EExtended strand (participates in β ladder)trans-154150.9-170.7-63.7-173.1-176.6-170.3-0.2112.7I230I230-R233 PolarHBondContact N-O 3.41Å; I230-R233 PolarHBondContact O-N 2.61Å; I230-R233 VanDerWaalsContact O-O 3.04Å
234D77.3Confident80.7Confident95 Ų9558.6 Ų58.651%0.50832%0.32SS..EExtended strand (participates in β ladder)trans-84.5108162.7-73.1-18.1000108.7K227K227-D234 HydrophobicContact CB-CB 4.24Å; K227-D234 HydrophobicContact CD-CB 4.03Å; K227-D234 WeakPolarHBondContact CD-OD2 3.43Å; K227-D234 HydrophobicContact CG-CB 4.29Å; K227-D234 IonicContact NZ-OD2 2.58Å; K227-D234 PolarHBondContact NZ-OD2 3.19Å
235E85.3Confident80.8Confident23 Ų2361.9 Ų61.911%0.10734%0.337CS..EExtended strand (participates in β ladder)trans-92.8148.9170.9-65.3-62.5142.200110.2K227 I228 I230 Y422 R430K227-E235 WeakPolarHBondContact CA-O 3.3Å; I228-E235 PolarHBondContact N-O 2.92Å; I228-E235 PolarHBondContact O-N 2.85Å; I230-E235 HydrophobicContact CD1-CB 3.95Å; I230-E235 HydrophobicContact CD1-CG 3.48Å; I230-E235 VanDerWaalsContact CD1-CG 3.48Å; I230-E235 HydrophobicContact CG1-CB 4.48Å; I230-E235 HydrophobicContact CG1-CG 4.2Å; E235-Y422 HydrophobicContact CB-CD1 4.26Å; E235-Y422 HydrophobicContact CB-CE1 4.46Å; E235-R430 IonicContact OE1-NH2 3.88Å; E235-R430 IonicContact OE2-CZ 3.26Å; E235-R430 IonicContact OE2-NH2 3.91Å; E235-R430 PolarHBondContact OE2-NH2 3.4Å
236K88.5Confident81.9Confident37 Ų3757.2 Ų57.216%0.16131%0.307CS..EExtended strand (participates in β ladder)trans-83133.1177.3-77.1-176.8164.8-131.20111.4E220 E221 C224 C423E220-K236 HydrophobicContact CB-CD 4.45Å; E220-K236 PolarHBondContact O-NZ 3.32Å; E221-K236 WeakPolarHBondContact OE1-CE 3.47Å; E221-K236 IonicContact OE1-NZ 3.88Å; E221-K236 PolarHBondContact OE1-NZ 2.89Å; E221-K236 IonicContact OE2-NZ 2.77Å; E221-K236 PolarHBondContact OE2-NZ 3.32Å; C224-K236 HydrophobicContact CB-CB 4.39Å; K236-C423 HydrophobicContact CB-CB 4.39Å; K236-C423 PolarHBondContact O-N 3.49Å
237G90.4Very high82.6Confident0 Ų058.1 Ų58.10%032%0.315CS..EExtended strand (participates in β ladder)trans162.5-173.1179.800000114.7A226 I421A226-G237 VanDerWaalsContact CB-O 3.27Å; A226-G237 WeakPolarHBondContact CB-O 3.24Å; A226-G237 PolarHBondContact O-N 2.7Å; A226-G237 VanDerWaalsContact O-N 3.11Å; G237-I421 CarbonylContact C-O 3.54Å; G237-I421 WeakPolarHBondContact CA-O 3.35Å
238F90.1Very high83.2Confident6 Ų660 Ų603%0.02632%0.323CS..EExtended strand (participates in β ladder)trans-113.3113.1-176.3-48-81.3000110V223 C224 I240 L281 F282 F286 R420 I421V223-F238 WeakPolarHBondContact O-CZ 3.21Å; C224-F238 HydrophobicContact CB-CZ 4.46Å; F238-I240 PolarHBondContact O-N 2.02Å; F238-L281 WeakPolarHBondContact CD1-O 3.38Å; F238-L281 WeakPolarHBondContact CE1-O 3.43Å; F238-F282 HydrophobicContact CB-CE1 3.89Å; F238-F282 AromaticContact CD1-CD1 3.95Å; F238-F282 HydrophobicContact CD1-CD1 3.95Å; F238-F282 HydrophobicContact CD1-CE1 4.09Å; F238-F282 HydrophobicContact CD2-CD1 4.04Å; F238-F282 AromaticContact CD2-CE1 3.85Å; F238-F282 HydrophobicContact CD2-CE1 3.85Å; F238-F282 HydrophobicContact CE1-CD1 4.03Å; F238-F282 HydrophobicContact CE2-CD1 4.12Å; F238-F282 HydrophobicContact CE2-CE1 4.37Å; F238-F282 AromaticContact CG-CD1 3.93Å; F238-F282 HydrophobicContact CG-CD1 3.93Å; F238-F282 AromaticContact CG-CE1 3.67Å; F238-F282 HydrophobicContact CG-CE1 3.67Å; F238-F282 HydrophobicContact CZ-CD1 4.1Å; F238-F286 HydrophobicContact CD2-CE1 4.29Å; F238-F286 HydrophobicContact CE2-CD1 4.11Å; F238-F286 HydrophobicContact CE2-CE1 4.12Å; F238-R420 VanDerWaalsContact O-CA 3.32Å; F238-R420 WeakPolarHBondContact O-CA 3.46Å; F238-I421 HydrophobicContact CB-CB 4.49Å; F238-I421 HydrophobicContact CD2-CB 4.02Å; F238-I421 HydrophobicContact CD2-CG2 4.03Å; F238-I421 PolarHBondContact N-O 3.09Å; F238-I421 PolarHBondContact O-N 3.15Å
239D91.1Very high83.7Confident29 Ų2964.2 Ų64.216%0.15534%0.341CS..EExtended strand (participates in β ladder)trans-85.698.4168-166.6-55.9000108.8I228 L241 L242 S243 R420I228-D239 HydrophobicContact CD1-CB 4.46Å; I228-D239 HydrophobicContact CG1-CB 4.41Å; D239-L241 VanDerWaalsContact C-N 3.29Å; D239-L241 PolarHBondContact O-N 2.95Å; D239-L241 PolarHBondContact OD1-N 2.9Å; D239-L242 HydrophobicContact CB-CB 3.98Å; D239-L242 PolarHBondContact O-N 2.82Å; D239-L242 WeakPolarHBondContact OD1-CB 3.38Å; D239-L242 PolarHBondContact OD1-N 2.99Å; D239-S243 PolarHBondContact O-N 3.35Å; D239-S243 PolarHBondContact O-OG 3.32Å; D239-S243 VanDerWaalsContact O-OG 3.1Å; D239-R420 IonicContact OD2-CZ 3.21Å; D239-R420 IonicContact OD2-NE 2.76Å; D239-R420 PolarHBondContact OD2-NE 3.11Å; D239-R420 IonicContact OD2-NH2 2.72Å; D239-R420 PolarHBondContact OD2-NH2 2.78Å
240I91.4Very high84.7Confident0 Ų060.8 Ų60.80%032%0.319CS..Hα-helixtrans-67.8-33.9-170.1-65.4165.4000110.6F238 L244 L281 F282 V402 L419 I421F238-I240 PolarHBondContact O-N 2.02Å; I240-L244 HydrophobicContact CG2-CD1 3.72Å; I240-L244 HydrophobicContact CG2-CG 4.36Å; I240-L244 WeakPolarHBondContact O-CB 3.46Å; I240-L244 VanDerWaalsContact O-CG 3.31Å; I240-L244 WeakPolarHBondContact O-CG 3.34Å; I240-L244 PolarHBondContact O-N 3.16Å; I240-L244 VanDerWaalsContact O-N 3.11Å; I240-L281 HydrophobicContact CG1-CD2 4.16Å; I240-L281 HydrophobicContact CG2-CD1 4.22Å; I240-F282 HydrophobicContact CD1-CZ 4.41Å; I240-F282 HydrophobicContact CG1-CZ 4.42Å; I240-V402 HydrophobicContact CG2-CG2 3.79Å; I240-L419 HydrophobicContact CB-CD2 4.07Å; I240-L419 HydrophobicContact CB-CG 4.04Å; I240-L419 HydrophobicContact CD1-CD2 4.39Å; I240-L419 HydrophobicContact CD1-CG 4.01Å; I240-L419 HydrophobicContact CG2-CD2 3.78Å; I240-L419 HydrophobicContact CG2-CG 4.3Å; I240-L419 PolarHBondContact N-O 3.39Å; I240-L419 VanDerWaalsContact N-O 3.11Å; I240-I421 HydrophobicContact CD1-CD1 3.99Å; I240-I421 HydrophobicContact CD1-CG1 4.09Å
241L89.4Confident85.7Confident14 Ų1464.9 Ų64.97%0.07333%0.334CS..Hα-helixtrans-71.8-38.7-179.9-54.8-175.4000112.4D239 N245 L246 I416 L419D239-L241 VanDerWaalsContact C-N 3.29Å; D239-L241 PolarHBondContact O-N 2.95Å; D239-L241 PolarHBondContact OD1-N 2.9Å; L241-N245 PolarHBondContact O-N 3.07Å; L241-L246 HydrophobicContact CB-CB 4.1Å; L241-L246 HydrophobicContact CB-CD2 4.02Å; L241-L246 HydrophobicContact CD1-CD2 3.89Å; L241-L246 HydrophobicContact CD2-CD2 3.64Å; L241-L246 HydrophobicContact CG-CD2 4.03Å; L241-L246 WeakPolarHBondContact O-CB 3.4Å; L241-L246 PolarHBondContact O-N 2.68Å; L241-I416 HydrophobicContact CD1-CD1 4.38Å; L241-I416 HydrophobicContact CD1-CG1 4.29Å; L241-I416 HydrophobicContact CD1-CG2 4.06Å; L241-I416 HydrophobicContact CD2-CD1 3.98Å; L241-I416 HydrophobicContact CD2-CG2 4.2Å; L241-L419 HydrophobicContact CD1-CB 4.22Å; L241-L419 HydrophobicContact CD2-CB 3.79Å; L241-L419 HydrophobicContact CD2-CD2 4.09Å; L241-L419 HydrophobicContact CG-CB 3.84Å
242L88.7Confident87.2Confident126 Ų12662.3 Ų62.366%0.6632%0.315SS*.Hα-helixtrans-62.8-49.6175.4-178.959.9000111.1D239 N245D239-L242 HydrophobicContact CB-CB 3.98Å; D239-L242 PolarHBondContact O-N 2.82Å; D239-L242 WeakPolarHBondContact OD1-CB 3.38Å; D239-L242 PolarHBondContact OD1-N 2.99Å; L242-N245 WeakPolarHBondContact O-CA 3.5Å; L242-N245 PolarHBondContact O-N 2.76Å
243S85.2Confident88.8Confident44 Ų4458.6 Ų58.631%0.30829%0.287SS..Hα-helixtrans-62.6-48.2-178-56.60000112.3D239 N245 L281D239-S243 PolarHBondContact O-N 3.35Å; D239-S243 PolarHBondContact O-OG 3.32Å; D239-S243 VanDerWaalsContact O-OG 3.1Å; S243-N245 PolarHBondContact O-N 2.73Å; S243-N245 PolarHBondContact O-ND2 3.16Å; S243-L281 VanDerWaalsContact CB-CD2 3.43Å; S243-L281 WeakPolarHBondContact OG-CD2 3.43Å
244L88.3Confident90Very high2 Ų255.8 Ų55.81%0.0128%0.281CS..THydrogen-bonded Turntrans-67.61.1175.9-65.4175.1000113.6I240 L246 K249 L271 E273 L281 V402I240-L244 HydrophobicContact CG2-CD1 3.72Å; I240-L244 HydrophobicContact CG2-CG 4.36Å; I240-L244 WeakPolarHBondContact O-CB 3.46Å; I240-L244 VanDerWaalsContact O-CG 3.31Å; I240-L244 WeakPolarHBondContact O-CG 3.34Å; I240-L244 PolarHBondContact O-N 3.16Å; I240-L244 VanDerWaalsContact O-N 3.11Å; L244-L246 VanDerWaalsContact C-N 3.27Å; L244-L246 PolarHBondContact O-N 3.38Å; L244-K249 WeakPolarHBondContact O-CE 3Å; L244-K249 PolarHBondContact O-NZ 3.5Å; L244-L271 HydrophobicContact CD1-CB 4.34Å; L244-E273 HydrophobicContact CD2-CB 3.54Å; L244-L281 HydrophobicContact CD2-CD1 4.39Å; L244-L281 HydrophobicContact CG-CD1 4.39Å; L244-V402 HydrophobicContact CD1-CB 4.17Å; L244-V402 HydrophobicContact CD1-CG2 3.54Å
245N88.6Confident90.7Very high71 Ų7151.6 Ų51.638%0.3826%0.26SS..THydrogen-bonded Turntrans5637.7-178.8-77.4-105.3000112.6L241 L242 S243 A247 K248 K249L241-N245 PolarHBondContact O-N 3.07Å; L242-N245 WeakPolarHBondContact O-CA 3.5Å; L242-N245 PolarHBondContact O-N 2.76Å; S243-N245 PolarHBondContact O-N 2.73Å; S243-N245 PolarHBondContact O-ND2 3.16Å; N245-A247 VanDerWaalsContact C-N 3.27Å; N245-A247 PolarHBondContact O-N 3.41Å; N245-A247 VanDerWaalsContact O-N 3.15Å; N245-K248 HydrophobicContact CB-CD 4.34Å; N245-K248 PolarHBondContact O-N 2.74Å; N245-K248 PolarHBondContact OD1-NZ 3.11Å; N245-K249 PolarHBondContact O-N 2.89Å
246L91.8Very high91Very high2 Ų251.1 Ų51.11%0.0126%0.259CS..Hα-helixtrans-50.7-46-172.5-175.570.6000112.4L241 L244 K248 K249 T250 Y263 V265 L271 I416L241-L246 HydrophobicContact CB-CB 4.1Å; L241-L246 HydrophobicContact CB-CD2 4.02Å; L241-L246 HydrophobicContact CD1-CD2 3.89Å; L241-L246 HydrophobicContact CD2-CD2 3.64Å; L241-L246 HydrophobicContact CG-CD2 4.03Å; L241-L246 WeakPolarHBondContact O-CB 3.4Å; L241-L246 PolarHBondContact O-N 2.68Å; L244-L246 VanDerWaalsContact C-N 3.27Å; L244-L246 PolarHBondContact O-N 3.38Å; L246-K248 PolarHBondContact O-N 3.26Å; L246-K249 PolarHBondContact O-N 3Å; L246-T250 HydrophobicContact CD1-CG2 3.51Å; L246-T250 HydrophobicContact CG-CG2 4.14Å; L246-T250 PolarHBondContact O-N 3.35Å; L246-T250 PolarHBondContact O-OG1 2.78Å; L246-Y263 HydrophobicContact CD2-CD2 3.75Å; L246-Y263 HydrophobicContact CD2-CG 3.77Å; L246-Y263 HydrophobicContact CG-CG 4.19Å; L246-V265 HydrophobicContact CD1-CG2 4.25Å; L246-L271 HydrophobicContact CD1-CD1 3.59Å; L246-L271 HydrophobicContact CD1-CD2 3.51Å; L246-L271 HydrophobicContact CD1-CG 4.2Å; L246-I416 HydrophobicContact CD2-CG2 3.57Å
247A90Very high91Very high61 Ų6152.6 Ų52.650%0.50427%0.266SS..Hα-helixtrans-62.8-14.1-177.800000114.9N245 Y263N245-A247 VanDerWaalsContact C-N 3.27Å; N245-A247 PolarHBondContact O-N 3.41Å; N245-A247 VanDerWaalsContact O-N 3.15Å; A247-Y263 HydrophobicContact CB-CD1 4.48Å; A247-Y263 HydrophobicContact CB-CE1 3.58Å
248K91.9Very high90.6Very high172 Ų17262.1 Ų62.175%0.74830%0.303SS*.Hα-helixtrans-96.7-21.2172.4-62.1175.7-173.1157.50112.8N245 L246N245-K248 HydrophobicContact CB-CD 4.34Å; N245-K248 PolarHBondContact O-N 2.74Å; N245-K248 PolarHBondContact OD1-NZ 3.11Å; L246-K248 PolarHBondContact O-N 3.26Å
249K92.9Very high90.1Very high92 Ų9264.5 Ų64.540%0.433%0.329SS..Hα-helixtrans-95.7-21.1-176.3-67.4-178.3173.8-179.40113.7L244 N245 L246 V269 D270 L271L244-K249 WeakPolarHBondContact O-CE 3Å; L244-K249 PolarHBondContact O-NZ 3.5Å; N245-K249 PolarHBondContact O-N 2.89Å; L246-K249 PolarHBondContact O-N 3Å; K249-V269 HydrophobicContact CB-CG1 4.07Å; K249-D270 PolarHBondContact NZ-O 3.35Å; K249-L271 HydrophobicContact CD-CD2 3.9Å
250T94.4Very high90Very high20 Ų2064.9 Ų64.912%0.12333%0.333CS..SBendtrans-123.1161-170.253.60000112.9L246 Y263 E264 V265 V269L246-T250 HydrophobicContact CD1-CG2 3.51Å; L246-T250 HydrophobicContact CG-CG2 4.14Å; L246-T250 PolarHBondContact O-N 3.35Å; L246-T250 PolarHBondContact O-OG1 2.78Å; T250-Y263 WeakPolarHBondContact OG1-CD1 3.39Å; T250-E264 WeakPolarHBondContact CB-O 3.26Å; T250-E264 WeakPolarHBondContact CG2-O 3.36Å; T250-V265 HydrophobicContact CG2-CG2 4.3Å; T250-V269 HydrophobicContact CG2-CG1 3.83Å; T250-V269 HydrophobicContact CG2-CG2 4.22Å
251K93.6Very high90Very high133 Ų13370.8 Ų70.858%0.57836%0.358SS*.EExtended strand (participates in β ladder)trans-80.1128.9170177.2173.4150.2-123.40109.2E264K251-E264 WeakPolarHBondContact CD-OE2 3.45Å; K251-E264 IonicContact NZ-OE2 2.74Å; K251-E264 PolarHBondContact NZ-OE2 2.96Å; K251-E264 PolarHBondContact O-N 3.42Å
252K94.1Very high90.3Very high124 Ų12470.1 Ų70.154%0.53936%0.355SS..EExtended strand (participates in β ladder)trans-72.3135.2173-175.8-165.4167-156.30110.3K261 A262 Y263K252-K261 VanDerWaalsContact CE-CG 3.46Å; K252-A262 CarbonylContact C-O 3.41Å; K252-A262 WeakPolarHBondContact CA-O 3.39Å; K252-Y263 HydrophobicContact CB-CD1 4.44Å; K252-Y263 HydrophobicContact CB-CE1 4.34Å; K252-Y263 HydrophobicContact CG-CE1 4.41Å
253T93.9Very high90.7Very high30 Ų3066.5 Ų66.518%0.18433%0.333CS..EExtended strand (participates in β ladder)trans-128176.5179.551.50000111.9A262 E264T253-A262 PolarHBondContact N-O 2.92Å; T253-A262 PolarHBondContact O-N 3.5Å; T253-E264 HydrophobicContact CG2-CB 3.71Å
254Q92.6Very high91.2Very high91 Ų9167.5 Ų67.543%0.42533%0.333SS..EExtended strand (participates in β ladder)trans-74.6129172.4-173.453.355.400109.7F257 T260Q254-F257 PolarHBondContact NE2-O 3.38Å; Q254-T260 PolarHBondContact NE2-O 3.18Å
255G92.7Very high91.6Very high7 Ų767.5 Ų67.57%0.07233%0.333CS..  trans-80.9-160.3179.900000115F257 T260G255-F257 VanDerWaalsContact C-N 3.29Å; G255-F257 PolarHBondContact O-N 3.47Å; G255-T260 VanDerWaalsContact C-OG1 3.31Å; G255-T260 VanDerWaalsContact CA-OG1 3.25Å; G255-T260 WeakPolarHBondContact CA-OG1 3.35Å; G255-T260 PolarHBondContact N-O 3.35Å; G255-T260 VanDerWaalsContact N-O 3.09Å
256S91.2Very high91.9Very high13 Ų1366.4 Ų66.49%0.09133%0.329CS..SBendtrans-60.1-34.5-177.656.80000113.9T260 Q417 E435 P437S256-T260 PolarHBondContact N-OG1 3.23Å; S256-Q417 PolarHBondContact OG-NE2 3.5Å; S256-Q417 PolarHBondContact OG-OE1 3.39Å; S256-E435 WeakPolarHBondContact CB-O 3.28Å; S256-E435 PolarHBondContact OG-O 3.41Å; S256-P437 WeakPolarHBondContact O-CD 3.43Å
257F89.7Confident91.9Very high68 Ų6869.3 Ų69.330%0.29835%0.349SS..SBendtrans-128.4159.1177-177.1-118.4000111.7Q254 G255 G259 T260 E435 P437 P449Q254-F257 PolarHBondContact NE2-O 3.38Å; G255-F257 VanDerWaalsContact C-N 3.29Å; G255-F257 PolarHBondContact O-N 3.47Å; F257-G259 PolarHBondContact O-N 3.17Å; F257-T260 HydrophobicContact CB-CG2 4Å; F257-T260 PolarHBondContact N-OG1 3.24Å; F257-T260 WeakPolarHBondContact O-CB 3.41Å; F257-T260 PolarHBondContact O-N 3.17Å; F257-T260 VanDerWaalsContact O-N 3.1Å; F257-T260 PolarHBondContact O-OG1 3.13Å; F257-E435 WeakPolarHBondContact CB-O 3.39Å; F257-P437 HydrophobicContact CB-CG 4.14Å; F257-P437 HydrophobicContact CD2-CG 3.66Å; F257-P437 HydrophobicContact CG-CG 4.34Å; F257-P449 HydrophobicContact CE2-CG 3.81Å; F257-P449 HydrophobicContact CZ-CG 4.07Å
258Y80.6Confident92Very high200 Ų20075.5 Ų75.578%0.78437%0.365SS*.THydrogen-bonded Turntrans-55.6138.5-179.8-171.7-101.5000111.9T260Y258-T260 PolarHBondContact O-N 3.49Å; Y258-T260 VanDerWaalsContact O-N 3.13Å
259G80.6Confident92Very high55 Ų5568.1 Ų68.157%0.56733%0.334SS*.THydrogen-bonded Turntrans76.8-20.2-175.500000116F257F257-G259 PolarHBondContact O-N 3.17Å
260T88.8Confident91.9Very high38 Ų3867.7 Ų67.723%0.23334%0.336CS..  trans-68.2152.317368.80000111.5Q254 G255 S256 F257 Y258 Q417Q254-T260 PolarHBondContact NE2-O 3.18Å; G255-T260 VanDerWaalsContact C-OG1 3.31Å; G255-T260 VanDerWaalsContact CA-OG1 3.25Å; G255-T260 WeakPolarHBondContact CA-OG1 3.35Å; G255-T260 PolarHBondContact N-O 3.35Å; G255-T260 VanDerWaalsContact N-O 3.09Å; S256-T260 PolarHBondContact N-OG1 3.23Å; F257-T260 HydrophobicContact CB-CG2 4Å; F257-T260 PolarHBondContact N-OG1 3.24Å; F257-T260 WeakPolarHBondContact O-CB 3.41Å; F257-T260 PolarHBondContact O-N 3.17Å; F257-T260 VanDerWaalsContact O-N 3.1Å; F257-T260 PolarHBondContact O-OG1 3.13Å; Y258-T260 PolarHBondContact O-N 3.49Å; Y258-T260 VanDerWaalsContact O-N 3.13Å; T260-Q417 PolarHBondContact OG1-OE1 2.91Å
261K92Very high91.8Very high124 Ų12466.8 Ų66.854%0.53933%0.331SS..EExtended strand (participates in β ladder)trans-109.6121.1-172.8-52.4178.5-175.2165.50109.4K252K252-K261 VanDerWaalsContact CE-CG 3.46Å
262A95.8Very high91.6Very high0 Ų061.7 Ų61.70%031%0.312CS..EExtended strand (participates in β ladder)trans-114.1175167.200000111.1K252 T253 W362 I416 Q417K252-A262 CarbonylContact C-O 3.41Å; K252-A262 WeakPolarHBondContact CA-O 3.39Å; T253-A262 PolarHBondContact N-O 2.92Å; T253-A262 PolarHBondContact O-N 3.5Å; A262-W362 HydrophobicContact CB-CH2 3.52Å; A262-W362 HydrophobicContact CB-CZ2 3.84Å; A262-I416 CarbonylContact C-O 3.52Å; A262-I416 WeakPolarHBondContact CA-O 3.24Å; A262-Q417 HydrophobicContact CB-CB 4.35Å
263Y96.5Very high91.3Very high49 Ų4958.5 Ų58.519%0.19230%0.299CS..EExtended strand (participates in β ladder)trans-131.7129.2179.4-62-79.2000110.1L246 A247 T250 K252 E415 I416L246-Y263 HydrophobicContact CD2-CD2 3.75Å; L246-Y263 HydrophobicContact CD2-CG 3.77Å; L246-Y263 HydrophobicContact CG-CG 4.19Å; A247-Y263 HydrophobicContact CB-CD1 4.48Å; A247-Y263 HydrophobicContact CB-CE1 3.58Å; T250-Y263 WeakPolarHBondContact OG1-CD1 3.39Å; K252-Y263 HydrophobicContact CB-CD1 4.44Å; K252-Y263 HydrophobicContact CB-CE1 4.34Å; K252-Y263 HydrophobicContact CG-CE1 4.41Å; Y263-E415 WeakPolarHBondContact O-CA 3.43Å; Y263-I416 PolarHBondContact N-O 3.01Å; Y263-I416 PolarHBondContact O-N 3.29Å
264E96.1Very high90.7Very high66 Ų6659.4 Ų59.431%0.30831%0.309SS..EExtended strand (participates in β ladder)trans-84.5108.6175.4-179.9178.1-161.900109.2T250 K251 T253 T266T250-E264 WeakPolarHBondContact CB-O 3.26Å; T250-E264 WeakPolarHBondContact CG2-O 3.36Å; K251-E264 WeakPolarHBondContact CD-OE2 3.45Å; K251-E264 IonicContact NZ-OE2 2.74Å; K251-E264 PolarHBondContact NZ-OE2 2.96Å; K251-E264 PolarHBondContact O-N 3.42Å; T253-E264 HydrophobicContact CG2-CB 3.71Å; E264-T266 HydrophobicContact CG-CG2 4.27Å
265V96.6Very high89.8Confident1 Ų155 Ų551%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-90.7127.9173.3-171.30000108L246 T250 V269 L271 T411 P413 F414 I416L246-V265 HydrophobicContact CD1-CG2 4.25Å; T250-V265 HydrophobicContact CG2-CG2 4.3Å; V265-V269 HydrophobicContact CG1-CB 4.29Å; V265-L271 HydrophobicContact CG1-CD1 3.84Å; V265-L271 HydrophobicContact CG2-CD1 4.09Å; V265-T411 HydrophobicContact CG1-CG2 3.65Å; V265-P413 VanDerWaalsContact O-CA 3.32Å; V265-P413 WeakPolarHBondContact O-CA 3.15Å; V265-F414 WeakPolarHBondContact CA-O 2.93Å; V265-F414 HydrophobicContact CB-CD1 3.78Å; V265-F414 HydrophobicContact CB-CE1 3.72Å; V265-F414 HydrophobicContact CB-CZ 4.49Å; V265-F414 WeakPolarHBondContact CB-O 3.35Å; V265-F414 HydrophobicContact CG1-CD1 4.14Å; V265-F414 HydrophobicContact CG1-CE1 3.78Å; V265-F414 HydrophobicContact CG2-CD1 4.23Å; V265-F414 HydrophobicContact CG2-CE1 3.84Å; V265-F414 HydrophobicContact CG2-CZ 4.12Å; V265-F414 PolarHBondContact N-O 2.86Å; V265-F414 PolarHBondContact O-N 3.35Å; V265-I416 HydrophobicContact CG2-CG2 4.17Å
266T94.4Very high88.3Confident49 Ų4958 Ų5830%0.30131%0.309SS..  trans-116.6166.2176.372.30000110.2E264 F268 V269E264-T266 HydrophobicContact CG-CG2 4.27Å; T266-F268 PolarHBondContact O-N 3.15Å; T266-V269 WeakPolarHBondContact O-CB 3.18Å; T266-V269 PolarHBondContact O-N 2.94Å
267S92.5Very high86.7Confident62 Ų6259.4 Ų59.443%0.43432%0.318SS..THydrogen-bonded Turntrans-61-17.9-178.252.50000115.1T411S267-T411 VanDerWaalsContact CA-O 3.25Å; S267-T411 WeakPolarHBondContact CA-O 3.14Å; S267-T411 WeakPolarHBondContact CB-O 3.5Å
268F90.6Very high84.9Confident191 Ų19168.6 Ų68.684%0.83835%0.351SS*.THydrogen-bonded Turntrans-85.3-12.2175.7-54.7-74.8000113.8T266T266-F268 PolarHBondContact O-N 3.15Å
269V92.8Very high83.8Confident17 Ų1769.1 Ų69.110%0.10335%0.352CS..  trans-87.5114.5-177.7-1790000109.2K249 T250 V265 T266 L271 T411K249-V269 HydrophobicContact CB-CG1 4.07Å; T250-V269 HydrophobicContact CG2-CG1 3.83Å; T250-V269 HydrophobicContact CG2-CG2 4.22Å; V265-V269 HydrophobicContact CG1-CB 4.29Å; T266-V269 WeakPolarHBondContact O-CB 3.18Å; T266-V269 PolarHBondContact O-N 2.94Å; V269-L271 HydrophobicContact CG1-CD2 3.64Å; V269-L271 HydrophobicContact CG1-CG 3.96Å; V269-T411 VanDerWaalsContact O-CB 3.3Å; V269-T411 WeakPolarHBondContact O-CB 3.14Å; V269-T411 WeakPolarHBondContact O-CG2 3.2Å; V269-T411 PolarHBondContact O-OG1 2.79Å
270D90.9Very high83.2Confident84 Ų8467.2 Ų67.245%0.44933%0.329SS..  trans-89.9115.2173-17035.9000112.3K249 S272 K404K249-D270 PolarHBondContact NZ-O 3.35Å; D270-S272 WeakPolarHBondContact OD1-CB 3.27Å; D270-S272 PolarHBondContact OD1-OG 3.41Å; D270-S272 WeakPolarHBondContact OD2-CB 3.45Å; D270-S272 PolarHBondContact OD2-OG 3.1Å; D270-K404 WeakPolarHBondContact OD1-CE 3.37Å; D270-K404 IonicContact OD1-NZ 2.69Å; D270-K404 PolarHBondContact OD1-NZ 2.88Å
271L91.3Very high82.4Confident1 Ų165.8 Ų65.81%0.00532%0.32CS..  trans-106.348.3177.8-57.7-177.5000110.6L244 L246 K249 V265 V269 Q401 V402L244-L271 HydrophobicContact CD1-CB 4.34Å; L246-L271 HydrophobicContact CD1-CD1 3.59Å; L246-L271 HydrophobicContact CD1-CD2 3.51Å; L246-L271 HydrophobicContact CD1-CG 4.2Å; K249-L271 HydrophobicContact CD-CD2 3.9Å; V265-L271 HydrophobicContact CG1-CD1 3.84Å; V265-L271 HydrophobicContact CG2-CD1 4.09Å; V269-L271 HydrophobicContact CG1-CD2 3.64Å; V269-L271 HydrophobicContact CG1-CG 3.96Å; L271-Q401 WeakPolarHBondContact O-CA 3.47Å; L271-V402 HydrophobicContact CB-CB 3.97Å; L271-V402 HydrophobicContact CD1-CB 4.18Å; L271-V402 HydrophobicContact CD1-CG1 3.94Å; L271-V402 PolarHBondContact O-N 2.71Å; L271-V402 VanDerWaalsContact O-N 3.13Å
272S90.3Very high81.9Confident26 Ų2659.9 Ų59.918%0.18230%0.295CS..EExtended strand (participates in β ladder)trans-108.5140.9176.3-51.20000110.8D270 T400 Q401D270-S272 WeakPolarHBondContact OD1-CB 3.27Å; D270-S272 PolarHBondContact OD1-OG 3.41Å; D270-S272 WeakPolarHBondContact OD2-CB 3.45Å; D270-S272 PolarHBondContact OD2-OG 3.1Å; S272-T400 WeakPolarHBondContact CA-O 3.47Å; S272-Q401 PolarHBondContact OG-NE2 3.42Å
273E87Confident80.9Confident56 Ų5661.8 Ų61.826%0.26231%0.307SS..EExtended strand (participates in β ladder)trans-146150171.9-175.9158.5-159.900110.7L244 T275 K399 T400L244-E273 HydrophobicContact CD2-CB 3.54Å; E273-T275 PolarHBondContact O-N 2.73Å; E273-K399 CarbonylContact O-C 3.59Å; E273-K399 VanDerWaalsContact O-CA 3.31Å; E273-K399 WeakPolarHBondContact O-CA 3.19Å; E273-T400 PolarHBondContact N-O 3.42Å; E273-T400 PolarHBondContact O-N 3.2Å
274A81.3Confident80.3Confident49 Ų4960.9 Ų60.941%0.40531%0.306SS..EExtended strand (participates in β ladder)trans-73124.8-178.100000111.9S276 S277 G398A274-S276 PolarHBondContact O-N 3.35Å; A274-S277 VanDerWaalsContact O-CB 3.31Å; A274-S277 WeakPolarHBondContact O-CB 2.97Å; A274-S277 PolarHBondContact O-N 3.34Å; A274-G398 WeakPolarHBondContact CA-O 3.26Å
275T74.2Confident79.9Confident0 Ų057.8 Ų57.80%029%0.291CS..THydrogen-bonded Turntrans-72.5-13.4-176.4-41.80000112.7E273 S280 F282 I312 I396 G398 K399 T400E273-T275 PolarHBondContact O-N 2.73Å; T275-S280 VanDerWaalsContact C-OG 3.29Å; T275-S280 WeakPolarHBondContact O-CB 3.03Å; T275-S280 PolarHBondContact O-OG 2.68Å; T275-F282 HydrophobicContact CG2-CD2 4.39Å; T275-I312 HydrophobicContact CG2-CG2 4.16Å; T275-I396 CarbonylContact C-O 3.16Å; T275-I396 WeakPolarHBondContact CB-O 3.26Å; T275-I396 HydrophobicContact CG2-CB 3.91Å; T275-I396 HydrophobicContact CG2-CG2 3.95Å; T275-G398 PolarHBondContact N-O 2.91Å; T275-K399 VanDerWaalsContact OG1-CA 3.26Å; T275-K399 WeakPolarHBondContact OG1-CA 3.32Å; T275-K399 PolarHBondContact OG1-N 3.22Å; T275-T400 PolarHBondContact OG1-N 3.25Å; T275-T400 PolarHBondContact OG1-OG1 3.47Å; T275-T400 VanDerWaalsContact OG1-OG1 3.09Å
276S61.3Low79.6Confident70 Ų7058.6 Ų58.649%0.4930%0.295SS..THydrogen-bonded Turntrans-96.11.2175.854.60000114.5A274 I396A274-S276 PolarHBondContact O-N 3.35Å; S276-I396 WeakPolarHBondContact CB-O 3.36Å; S276-I396 PolarHBondContact N-O 2.68Å
277S57.7Low79.5Confident41 Ų4156.5 Ų56.529%0.28728%0.282SS..SBendtrans-62150-179.9178.60000112.5A274 R279 S280A274-S277 VanDerWaalsContact O-CB 3.31Å; A274-S277 WeakPolarHBondContact O-CB 2.97Å; A274-S277 PolarHBondContact O-N 3.34Å; S277-R279 PolarHBondContact O-N 3.37Å; S277-R279 VanDerWaalsContact O-N 3.09Å; S277-R279 PolarHBondContact OG-N 3.23Å; S277-R279 VanDerWaalsContact OG-N 3.08Å; S277-S280 WeakPolarHBondContact O-CA 3.43Å; S277-S280 WeakPolarHBondContact O-CB 3.07Å; S277-S280 PolarHBondContact O-N 3.41Å
278R51.3Low79.4Confident262 Ų26254.6 Ų54.699%0.98927%0.268SS*.THydrogen-bonded Turntrans-64.5-10167-164.2176.4-176.9179.34112.9
279R58.8Low79.6Confident211 Ų21146.5 Ų46.580%0.79624%0.235SC*.THydrogen-bonded Turntrans-110.617.3169.4-50.5-179.5-154.1163.87.3111.9S277S277-R279 PolarHBondContact O-N 3.37Å; S277-R279 VanDerWaalsContact O-N 3.09Å; S277-R279 PolarHBondContact OG-N 3.23Å; S277-R279 VanDerWaalsContact OG-N 3.08Å
280S67.7Low79.7Confident14 Ų1446.1 Ų46.110%0.09823%0.232CC..  trans-54.5145.4-179.4177.20000110.6T275 S277 F282T275-S280 VanDerWaalsContact C-OG 3.29Å; T275-S280 WeakPolarHBondContact O-CB 3.03Å; T275-S280 PolarHBondContact O-OG 2.68Å; S277-S280 WeakPolarHBondContact O-CA 3.43Å; S277-S280 WeakPolarHBondContact O-CB 3.07Å; S277-S280 PolarHBondContact O-N 3.41Å; S280-F282 PolarHBondContact O-N 2.78Å; S280-F282 PolarHBondContact OG-N 2.71Å
281L72.2Confident80Confident9 Ų942.1 Ų42.15%0.04721%0.21CC..SBendtrans-56.7-36.8167.9-84.2162.6000112.5F238 I240 S243 L244 T400F238-L281 WeakPolarHBondContact CD1-O 3.38Å; F238-L281 WeakPolarHBondContact CE1-O 3.43Å; I240-L281 HydrophobicContact CG1-CD2 4.16Å; I240-L281 HydrophobicContact CG2-CD1 4.22Å; S243-L281 VanDerWaalsContact CB-CD2 3.43Å; S243-L281 WeakPolarHBondContact OG-CD2 3.43Å; L244-L281 HydrophobicContact CD2-CD1 4.39Å; L244-L281 HydrophobicContact CG-CD1 4.39Å; L281-T400 HydrophobicContact CD1-CG2 3.74Å
282F80.9Confident80.3Confident0 Ų042.1 Ų42.10%021%0.21CC..  trans-136.365.7-168-43.3-62.6000110.9F238 I240 T275 S280 D284 F286 W310 I312 I394 T400 I421F238-F282 HydrophobicContact CB-CE1 3.89Å; F238-F282 AromaticContact CD1-CD1 3.95Å; F238-F282 HydrophobicContact CD1-CD1 3.95Å; F238-F282 HydrophobicContact CD1-CE1 4.09Å; F238-F282 HydrophobicContact CD2-CD1 4.04Å; F238-F282 AromaticContact CD2-CE1 3.85Å; F238-F282 HydrophobicContact CD2-CE1 3.85Å; F238-F282 HydrophobicContact CE1-CD1 4.03Å; F238-F282 HydrophobicContact CE2-CD1 4.12Å; F238-F282 HydrophobicContact CE2-CE1 4.37Å; F238-F282 AromaticContact CG-CD1 3.93Å; F238-F282 HydrophobicContact CG-CD1 3.93Å; F238-F282 AromaticContact CG-CE1 3.67Å; F238-F282 HydrophobicContact CG-CE1 3.67Å; F238-F282 HydrophobicContact CZ-CD1 4.1Å; I240-F282 HydrophobicContact CD1-CZ 4.41Å; I240-F282 HydrophobicContact CG1-CZ 4.42Å; T275-F282 HydrophobicContact CG2-CD2 4.39Å; S280-F282 PolarHBondContact O-N 2.78Å; S280-F282 PolarHBondContact OG-N 2.71Å; F282-D284 VanDerWaalsContact C-N 3.28Å; F282-D284 PolarHBondContact O-N 3.31Å; F282-F286 HydrophobicContact CB-CE2 4.39Å; F282-F286 HydrophobicContact CB-CZ 4.29Å; F282-F286 HydrophobicContact CD1-CD1 4.4Å; F282-F286 AromaticContact CD1-CE1 3.41Å; F282-F286 HydrophobicContact CD1-CE1 3.41Å; F282-F286 VanDerWaalsContact CD1-CE1 3.41Å; F282-F286 HydrophobicContact CD1-CE2 4.17Å; F282-F286 AromaticContact CD1-CZ 3.28Å; F282-F286 HydrophobicContact CD1-CZ 3.28Å; F282-F286 HydrophobicContact CD2-CE2 4.31Å; F282-F286 AromaticContact CD2-CZ 3.82Å; F282-F286 HydrophobicContact CD2-CZ 3.82Å; F282-F286 AromaticContact CE1-CE1 3.44Å; F282-F286 HydrophobicContact CE1-CE1 3.44Å; F282-F286 VanDerWaalsContact CE1-CE1 3.44Å; F282-F286 AromaticContact CE1-CZ 3.39Å; F282-F286 HydrophobicContact CE1-CZ 3.39Å; F282-F286 AromaticContact CE2-CZ 3.91Å; F282-F286 HydrophobicContact CE2-CZ 3.91Å; F282-F286 HydrophobicContact CG-CE1 4.11Å; F282-F286 HydrophobicContact CG-CE2 4.02Å; F282-F286 AromaticContact CG-CZ 3.51Å; F282-F286 HydrophobicContact CG-CZ 3.51Å; F282-F286 HydrophobicContact CZ-CE1 4.15Å; F282-F286 AromaticContact CZ-CZ 3.71Å; F282-F286 HydrophobicContact CZ-CZ 3.71Å; F282-W310 AromaticContact CE2-CZ2 3.62Å; F282-W310 HydrophobicContact CE2-CZ2 3.62Å; F282-W310 AromaticContact CZ-CZ2 3.63Å; F282-W310 HydrophobicContact CZ-CZ2 3.63Å; F282-I312 HydrophobicContact CD2-CD1 3.6Å; F282-I312 HydrophobicContact CD2-CG1 4.42Å; F282-I312 HydrophobicContact CE2-CD1 3.76Å; F282-I312 HydrophobicContact CE2-CG1 4.25Å; F282-I394 HydrophobicContact CB-CD1 4.42Å; F282-T400 HydrophobicContact CE2-CG2 3.9Å; F282-I421 HydrophobicContact CE1-CD1 4.17Å; F282-I421 HydrophobicContact CZ-CD1 4.19Å
283P74.3Confident80.7Confident39 Ų3940.9 Ų40.925%0.25320%0.202SC..THydrogen-bonded Turntrans-62.8-34.5-172.626.2-34.5000112.9R33 P225R33-P283 WeakPolarHBondContact CD-O 3.28Å; P225-P283 HydrophobicContact CG-CG 4.49Å
284D84.1Confident81.2Confident31 Ų3138.2 Ų38.217%0.16619%0.189CC..THydrogen-bonded Turntrans-122.118.2-176.6-61.1-69000112.6R33 S34 A38 P39 V223 F282R33-D284 IonicContact NH1-OD1 2.78Å; R33-D284 PolarHBondContact NH1-OD1 2.85Å; S34-D284 CarbonylContact C-O 3.58Å; S34-D284 VanDerWaalsContact C-O 3.29Å; S34-D284 PolarHBondContact N-O 2.79Å; A38-D284 HydrophobicContact CB-CB 4.01Å; P39-D284 VanDerWaalsContact CD-OD1 3.28Å; P39-D284 WeakPolarHBondContact CD-OD1 3.34Å; V223-D284 HydrophobicContact CB-CB 4.43Å; V223-D284 HydrophobicContact CG1-CB 4.18Å; V223-D284 WeakPolarHBondContact CG1-O 3.25Å; F282-D284 VanDerWaalsContact C-N 3.28Å; F282-D284 PolarHBondContact O-N 3.31Å
285G87.1Confident82Confident0 Ų035.9 Ų35.90%017%0.17CC..  trans83.7-142.5176.400000113.2
286F90.3Very high83Confident19 Ų1936.1 Ų36.18%0.08317%0.171CC..  trans-124.1156.7-174.5-68.1-78.1000111.8C35 F238 F282 Y290 W310 I312 M321 I394 I421C35-F286 PolarHBondContact N-O 2.82Å; F238-F286 HydrophobicContact CD2-CE1 4.29Å; F238-F286 HydrophobicContact CE2-CD1 4.11Å; F238-F286 HydrophobicContact CE2-CE1 4.12Å; F282-F286 HydrophobicContact CB-CE2 4.39Å; F282-F286 HydrophobicContact CB-CZ 4.29Å; F282-F286 HydrophobicContact CD1-CD1 4.4Å; F282-F286 AromaticContact CD1-CE1 3.41Å; F282-F286 HydrophobicContact CD1-CE1 3.41Å; F282-F286 VanDerWaalsContact CD1-CE1 3.41Å; F282-F286 HydrophobicContact CD1-CE2 4.17Å; F282-F286 AromaticContact CD1-CZ 3.28Å; F282-F286 HydrophobicContact CD1-CZ 3.28Å; F282-F286 HydrophobicContact CD2-CE2 4.31Å; F282-F286 AromaticContact CD2-CZ 3.82Å; F282-F286 HydrophobicContact CD2-CZ 3.82Å; F282-F286 AromaticContact CE1-CE1 3.44Å; F282-F286 HydrophobicContact CE1-CE1 3.44Å; F282-F286 VanDerWaalsContact CE1-CE1 3.44Å; F282-F286 AromaticContact CE1-CZ 3.39Å; F282-F286 HydrophobicContact CE1-CZ 3.39Å; F282-F286 AromaticContact CE2-CZ 3.91Å; F282-F286 HydrophobicContact CE2-CZ 3.91Å; F282-F286 HydrophobicContact CG-CE1 4.11Å; F282-F286 HydrophobicContact CG-CE2 4.02Å; F282-F286 AromaticContact CG-CZ 3.51Å; F282-F286 HydrophobicContact CG-CZ 3.51Å; F282-F286 HydrophobicContact CZ-CE1 4.15Å; F282-F286 AromaticContact CZ-CZ 3.71Å; F282-F286 HydrophobicContact CZ-CZ 3.71Å; F286-Y290 HydrophobicContact CB-CD1 4.31Å; F286-Y290 HydrophobicContact CB-CE1 4.19Å; F286-Y290 HydrophobicContact CG-CE1 4.5Å; F286-W310 HydrophobicContact CE2-CH2 4.38Å; F286-W310 AromaticContact CZ-CH2 3.9Å; F286-W310 HydrophobicContact CZ-CH2 3.9Å; F286-W310 AromaticContact CZ-CZ2 3.99Å; F286-W310 HydrophobicContact CZ-CZ2 3.99Å; F286-I312 HydrophobicContact CE2-CD1 3.8Å; F286-I312 HydrophobicContact CZ-CD1 4.1Å; F286-M321 HydrophobicContact CD2-CE 4.07Å; F286-M321 HydrophobicContact CD2-SD 3.57Å; F286-M321 VanDerWaalsContact CD2-SD 3.57Å; F286-M321 HydrophobicContact CE2-CE 4.01Å; F286-M321 HydrophobicContact CE2-SD 3.3Å; F286-M321 WeakPolarHBondContact CE2-SD 3.47Å; F286-M321 HydrophobicContact CZ-SD 4.18Å; F286-I394 HydrophobicContact CD2-CD1 4.18Å; F286-I394 HydrophobicContact CE2-CD1 3.81Å; F286-I421 HydrophobicContact CD1-CG2 4.36Å; F286-I421 HydrophobicContact CE1-CD1 3.65Å; F286-I421 HydrophobicContact CE1-CG2 4.19Å; F286-I421 HydrophobicContact CZ-CD1 4.09Å
287P92.5Very high84.7Confident4 Ų435.6 Ų35.63%0.02616%0.159CC..  trans-72.1164.1166.935.3-36.9000109.8C219 V223 S289 Y290 C423C219-P287 HydrophobicContact CB-CB 3.92Å; V223-P287 HydrophobicContact CG2-CB 4.18Å; V223-P287 HydrophobicContact CG2-CG 4.43Å; P287-S289 VanDerWaalsContact C-N 3.33Å; P287-S289 WeakPolarHBondContact CG-O 3.49Å; P287-S289 PolarHBondContact O-N 3.32Å; P287-Y290 HydrophobicContact CG-CD1 4.41Å; P287-Y290 WeakPolarHBondContact O-CD1 3.44Å; P287-C423 HydrophobicContact CG-CB 4.01Å
288P91.2Very high86.5Confident23 Ų2334.2 Ų34.215%0.14915%0.147CC..SBendtrans-57.4-42.3179.5-27.135.2000114.1C219 E371C219-P288 WeakPolarHBondContact SG-CD 3.43Å; P288-E371 HydrophobicContact CB-CG 3.73Å; P288-E371 WeakPolarHBondContact CB-OE1 3.44Å
289S94.4Very high88.5Confident21 Ų2126.8 Ų26.815%0.14712%0.122CC..SBendtrans-121.3140.6176.3-55.50000110.7Q216 P287 V369Q216-S289 PolarHBondContact NE2-O 2.77Å; P287-S289 VanDerWaalsContact C-N 3.33Å; P287-S289 WeakPolarHBondContact CG-O 3.49Å; P287-S289 PolarHBondContact O-N 3.32Å; S289-V369 CarbonylContact C-O 3.57Å; S289-V369 WeakPolarHBondContact CA-O 3.38Å; S289-V369 WeakPolarHBondContact CB-O 3.31Å
290Y95.7Very high90.1Very high8 Ų818.7 Ų18.73%0.03110%0.104CC..EExtended strand (participates in β ladder)trans-160.4172.4-179.558.2-94.3000111.7F286 P287 M321 F334 V369 I421 Y422F286-Y290 HydrophobicContact CB-CD1 4.31Å; F286-Y290 HydrophobicContact CB-CE1 4.19Å; F286-Y290 HydrophobicContact CG-CE1 4.5Å; P287-Y290 HydrophobicContact CG-CD1 4.41Å; P287-Y290 WeakPolarHBondContact O-CD1 3.44Å; Y290-M321 WeakPolarHBondContact OH-CE 3.47Å; Y290-F334 WeakPolarHBondContact OH-CZ 3.23Å; Y290-V369 HydrophobicContact CD1-CB 4.45Å; Y290-V369 HydrophobicContact CD2-CB 4.22Å; Y290-V369 HydrophobicContact CD2-CG2 4.33Å; Y290-V369 HydrophobicContact CE1-CB 4.08Å; Y290-V369 HydrophobicContact CE1-CG1 3.88Å; Y290-V369 HydrophobicContact CE2-CB 3.82Å; Y290-V369 HydrophobicContact CE2-CG1 4.36Å; Y290-V369 HydrophobicContact CE2-CG2 3.64Å; Y290-V369 PolarHBondContact N-O 3.07Å; Y290-V369 PolarHBondContact O-N 3.23Å; Y290-I421 HydrophobicContact CD2-CG2 3.76Å; Y290-I421 HydrophobicContact CE2-CG2 4.49Å; Y290-I421 HydrophobicContact CG-CG2 4.17Å; Y290-Y422 WeakPolarHBondContact CA-O 3.44Å; Y290-Y422 VanDerWaalsContact CB-O 3.28Å; Y290-Y422 WeakPolarHBondContact CB-O 3.48Å
291V97.2Very high91Very high0 Ų022 Ų220%013%0.127CC..EExtended strand (participates in β ladder)trans-123112.1-179.2-165.90000110.3V293 R366 L367 L368 I421 Y422 Q427 N428V291-V293 HydrophobicContact CG1-CG2 3.84Å; V291-R366 HydrophobicContact CG1-CG 3.68Å; V291-L367 CarbonylContact C-O 3.51Å; V291-L367 WeakPolarHBondContact CA-O 3.31Å; V291-L368 HydrophobicContact CG2-CD1 4.1Å; V291-I421 CarbonylContact O-C 3.49Å; V291-I421 WeakPolarHBondContact O-CA 3.31Å; V291-Y422 PolarHBondContact N-O 2.77Å; V291-Y422 PolarHBondContact O-N 2.88Å; V291-Q427 HydrophobicContact CG2-CB 4.41Å; V291-N428 HydrophobicContact CG1-CB 4.13Å; V291-N428 HydrophobicContact CG2-CB 3.9Å
292F97.6Very high91.9Very high1 Ų121.6 Ų21.60%0.00413%0.126CC..EExtended strand (participates in β ladder)trans-85131.8169.5177.1-81.3000109.2A294 L309 W310 V323 L365 R366 L367 L419 I421F292-A294 HydrophobicContact CE1-CB 3.94Å; F292-A294 HydrophobicContact CZ-CB 4.44Å; F292-L309 HydrophobicContact CE1-CD2 4.35Å; F292-L309 HydrophobicContact CZ-CD2 4.36Å; F292-W310 HydrophobicContact CD2-CE3 4.26Å; F292-W310 HydrophobicContact CE2-CB 3.99Å; F292-W310 AromaticContact CE2-CD2 3.98Å; F292-W310 HydrophobicContact CE2-CD2 3.98Å; F292-W310 AromaticContact CE2-CE3 3.79Å; F292-W310 HydrophobicContact CE2-CE3 3.79Å; F292-W310 HydrophobicContact CE2-CG 4.11Å; F292-W310 HydrophobicContact CZ-CB 4.13Å; F292-V323 HydrophobicContact CD1-CG2 4.21Å; F292-V323 HydrophobicContact CD2-CG2 4.18Å; F292-V323 HydrophobicContact CE1-CB 4.27Å; F292-V323 HydrophobicContact CE1-CG1 4.04Å; F292-V323 HydrophobicContact CE1-CG2 3.97Å; F292-V323 HydrophobicContact CE2-CG2 3.94Å; F292-V323 HydrophobicContact CG-CG2 4.31Å; F292-V323 HydrophobicContact CZ-CB 4.04Å; F292-V323 HydrophobicContact CZ-CG1 4.25Å; F292-V323 HydrophobicContact CZ-CG2 3.82Å; F292-L365 HydrophobicContact CD1-CD2 3.99Å; F292-L365 HydrophobicContact CE1-CD2 3.92Å; F292-R366 CarbonylContact O-C 3.48Å; F292-R366 VanDerWaalsContact O-CA 3.26Å; F292-R366 WeakPolarHBondContact O-CA 3.27Å; F292-L367 HydrophobicContact CB-CB 4.26Å; F292-L367 HydrophobicContact CD1-CD1 4.47Å; F292-L367 PolarHBondContact N-O 2.98Å; F292-L367 PolarHBondContact O-N 2.87Å; F292-L419 HydrophobicContact CE1-CD1 4.1Å; F292-L419 HydrophobicContact CE2-CD1 3.76Å; F292-L419 HydrophobicContact CZ-CD1 3.37Å; F292-I421 HydrophobicContact CB-CG1 4.39Å; F292-I421 HydrophobicContact CD2-CD1 4.08Å; F292-I421 HydrophobicContact CD2-CG1 3.75Å; F292-I421 HydrophobicContact CG-CG1 4.47Å
293V97.6Very high92.4Very high0 Ų022 Ų220%013%0.129CC..EExtended strand (participates in β ladder)trans-135.9128.3-178.9-174.60000110.2V291 Q364 R366 K418 L419 R420 Y422 E431V291-V293 HydrophobicContact CG1-CG2 3.84Å; V293-Q364 HydrophobicContact CG1-CG 3.92Å; V293-R366 HydrophobicContact CG2-CB 4.37Å; V293-R366 HydrophobicContact CG2-CG 4Å; V293-K418 HydrophobicContact CG1-CD 3.8Å; V293-L419 CarbonylContact O-C 3.56Å; V293-L419 WeakPolarHBondContact O-CA 3.3Å; V293-R420 PolarHBondContact N-O 3.44Å; V293-R420 PolarHBondContact O-N 2.83Å; V293-Y422 HydrophobicContact CB-CE2 4.23Å; V293-Y422 HydrophobicContact CG2-CD2 3.86Å; V293-Y422 HydrophobicContact CG2-CE2 3.76Å; V293-E431 HydrophobicContact CG1-CG 4.07Å; V293-E431 HydrophobicContact CG2-CG 4.12Å
294A97.8Very high93.2Very high0 Ų024.2 Ų24.20%014%0.141CC..EExtended strand (participates in β ladder)trans-135.6127.4174.800000111.7F292 L296 L309 Q364 L365 K418 L419F292-A294 HydrophobicContact CE1-CB 3.94Å; F292-A294 HydrophobicContact CZ-CB 4.44Å; A294-L296 HydrophobicContact CB-CD2 3.92Å; A294-L309 HydrophobicContact CB-CD2 3.75Å; A294-Q364 CarbonylContact O-C 3.53Å; A294-Q364 WeakPolarHBondContact O-CA 3.28Å; A294-L365 PolarHBondContact N-O 3.5Å; A294-L365 PolarHBondContact O-N 3.05Å; A294-K418 CarbonylContact C-O 3.6Å; A294-K418 VanDerWaalsContact CA-O 3.27Å; A294-K418 WeakPolarHBondContact CA-O 3.42Å; A294-L419 HydrophobicContact CB-CD1 3.74Å
295T97.3Very high93.7Very high0 Ų026.3 Ų26.30%015%0.15CC..EExtended strand (participates in β ladder)trans-110111.4172.2-510000108.1W362 H363 Q417 K418 E435 I436T295-W362 HydrophobicContact CG2-CE3 4.24Å; T295-H363 WeakPolarHBondContact CA-O 3.39Å; T295-Q417 HydrophobicContact CG2-CB 4.26Å; T295-Q417 PolarHBondContact O-N 2.99Å; T295-K418 PolarHBondContact N-O 2.87Å; T295-K418 PolarHBondContact O-N 3.34Å; T295-E435 HydrophobicContact CG2-CG 4.28Å; T295-E435 PolarHBondContact OG1-OE1 3.38Å; T295-I436 HydrophobicContact CG2-CD1 4.18Å; T295-I436 HydrophobicContact CG2-CG1 4.32Å
296L97.3Very high94.1Very high5 Ų529.4 Ų29.43%0.02616%0.164CC..EExtended strand (participates in β ladder)trans-145.4166.6-169.370.8152.9000113.8A294 Y298 W307 L309 L325 W362 H363 F414 E415 I416A294-L296 HydrophobicContact CB-CD2 3.92Å; L296-Y298 HydrophobicContact CD1-CD1 3.83Å; L296-Y298 HydrophobicContact CD1-CE1 4.02Å; L296-Y298 HydrophobicContact CG-CD1 4.46Å; L296-W307 HydrophobicContact CD1-CH2 3.91Å; L296-W307 HydrophobicContact CD1-CZ2 4.44Å; L296-L309 HydrophobicContact CD1-CD1 3.9Å; L296-L309 HydrophobicContact CD1-CD2 4.23Å; L296-L309 HydrophobicContact CD2-CD2 4.07Å; L296-L325 HydrophobicContact CD1-CD1 4.15Å; L296-W362 VanDerWaalsContact C-CE3 3.42Å; L296-H363 PolarHBondContact N-O 3.1Å; L296-H363 PolarHBondContact O-N 3.14Å; L296-F414 HydrophobicContact CB-CD2 4.47Å; L296-F414 HydrophobicContact CD1-CD2 4.32Å; L296-E415 WeakPolarHBondContact CA-O 3.07Å; L296-E415 WeakPolarHBondContact CB-O 3.35Å; L296-I416 HydrophobicContact CB-CG1 4.26Å
297R96.3Very high94.4Very high60 Ų6028.5 Ų28.523%0.22616%0.16CC..EExtended strand (participates in β ladder)trans-145137.7171.9178.3171.277.3169.66.4110.3K361 W362 E415R297-K361 WeakPolarHBondContact CG-O 3.45Å; R297-W362 HydrophobicContact CB-CD2 3.7Å; R297-W362 HydrophobicContact CB-CE3 3.88Å; R297-W362 HydrophobicContact CB-CG 4.14Å; R297-W362 HydrophobicContact CB-CH2 4.31Å; R297-W362 HydrophobicContact CB-CZ2 4.18Å; R297-W362 HydrophobicContact CB-CZ3 4.2Å; R297-E415 HydrophobicContact CB-CB 4.43Å; R297-E415 IonicContact CZ-OE1 3.5Å; R297-E415 IonicContact CZ-OE2 2.75Å; R297-E415 PolarHBondContact N-O 2.93Å; R297-E415 IonicContact NE-OE2 3.85Å; R297-E415 PolarHBondContact NE-OE2 3.14Å; R297-E415 IonicContact NH2-OE1 2.68Å; R297-E415 PolarHBondContact NH2-OE1 3.43Å; R297-E415 IonicContact NH2-OE2 3.44Å; R297-E415 PolarHBondContact NH2-OE2 3.36Å; R297-E415 PolarHBondContact O-N 2.88Å
298Y95.7Very high94.6Very high12 Ų1228.8 Ų28.85%0.04716%0.161CC..  trans-144.6155.6177.253.9-79.4000109.8L296 V302 A303 W307 L325 L357 F358 E360L296-Y298 HydrophobicContact CD1-CD1 3.83Å; L296-Y298 HydrophobicContact CD1-CE1 4.02Å; L296-Y298 HydrophobicContact CG-CD1 4.46Å; Y298-V302 HydrophobicContact CD2-CG1 3.89Å; Y298-V302 HydrophobicContact CG-CG1 4.22Å; Y298-A303 HydrophobicContact CD2-CB 4.12Å; Y298-A303 HydrophobicContact CE2-CB 4.18Å; Y298-W307 AromaticContact CD1-CZ2 3.95Å; Y298-W307 HydrophobicContact CD1-CZ2 3.95Å; Y298-W307 HydrophobicContact CD2-CZ2 4.19Å; Y298-W307 HydrophobicContact CE1-CZ2 4.3Å; Y298-W307 HydrophobicContact CE2-CZ2 4.48Å; Y298-W307 AromaticContact CG-CZ2 3.91Å; Y298-W307 HydrophobicContact CG-CZ2 3.91Å; Y298-L325 HydrophobicContact CE1-CD1 4.04Å; Y298-L357 PolarHBondContact OH-O 2.89Å; Y298-F358 HydrophobicContact CE2-CD1 4.07Å; Y298-F358 WeakPolarHBondContact OH-CD1 3.15Å; Y298-F358 WeakPolarHBondContact OH-CE1 3.45Å; Y298-E360 WeakPolarHBondContact O-CA 3.21Å
299K93.3Very high94.9Very high105 Ų10527.7 Ų27.746%0.45715%0.154SC..  trans-147.4163.4-168.9-54.1-162.3174.7-167.10112.9E360K299-E360 HydrophobicContact CB-CG 4.41Å; K299-E360 HydrophobicContact CD-CB 4.49Å; K299-E360 WeakPolarHBondContact CE-O 3.39Å; K299-E360 HydrophobicContact CG-CB 4.09Å; K299-E360 HydrophobicContact CG-CG 4.42Å
300G91Very high95Very high42 Ų4226.8 Ų26.843%0.43315%0.147SC..G310 helixtrans65.4-138173.400000112.1V302 A303 E360G300-V302 PolarHBondContact O-N 3.11Å; G300-A303 WeakPolarHBondContact O-CB 3.34Å; G300-A303 PolarHBondContact O-N 3.5Å; G300-E360 PolarHBondContact N-OE1 3.14Å
301S87.6Confident95Very high83 Ų8326.6 Ų26.658%0.5815%0.146SC*.G310 helixtrans-58.9-22.8-17652.50000114.4A303 V304 E305S301-A303 VanDerWaalsContact C-N 3.31Å; S301-A303 PolarHBondContact O-N 2.92Å; S301-V304 WeakPolarHBondContact O-CG2 3.27Å; S301-V304 PolarHBondContact O-N 2.91Å; S301-E305 WeakPolarHBondContact O-CG 3.48Å
302V90.8Very high94.8Very high1 Ų126.6 Ų26.61%0.00615%0.146CC..G310 helixtrans-67.8-31.9176177.30000112.4Y298 G300 V304 E305 W307 V412 P413Y298-V302 HydrophobicContact CD2-CG1 3.89Å; Y298-V302 HydrophobicContact CG-CG1 4.22Å; G300-V302 PolarHBondContact O-N 3.11Å; V302-V304 PolarHBondContact O-N 3.47Å; V302-E305 PolarHBondContact O-N 2.79Å; V302-W307 HydrophobicContact CG1-CZ2 4.04Å; V302-V412 HydrophobicContact CB-CG1 4.04Å; V302-V412 HydrophobicContact CG1-CG1 3.23Å; V302-V412 HydrophobicContact CG2-CG1 3.57Å; V302-P413 HydrophobicContact CG2-CG 3.69Å
303A90.9Very high94.5Very high9 Ų927.5 Ų27.57%0.07415%0.151CC..G310 helixtrans-71.2-8.8-178.200000113.7Y298 G300 S301 G327Y298-A303 HydrophobicContact CD2-CB 4.12Å; Y298-A303 HydrophobicContact CE2-CB 4.18Å; G300-A303 WeakPolarHBondContact O-CB 3.34Å; G300-A303 PolarHBondContact O-N 3.5Å; S301-A303 VanDerWaalsContact C-N 3.31Å; S301-A303 PolarHBondContact O-N 2.92Å; A303-G327 WeakPolarHBondContact O-CA 3.45Å
304V91.9Very high94Very high84 Ų8427.9 Ų27.951%0.50915%0.153SC..G310 helixtrans-123.717179.7-61.50000112.7S301 V302 L328S301-V304 WeakPolarHBondContact O-CG2 3.27Å; S301-V304 PolarHBondContact O-N 2.91Å; V302-V304 PolarHBondContact O-N 3.47Å; V304-L328 WeakPolarHBondContact O-CD2 3.01Å; V304-L328 WeakPolarHBondContact O-CG 3.33Å
305E93.7Very high93.5Very high75 Ų7534.2 Ų34.235%0.3518%0.182SC..SBendtrans-116.7161.9179.7-79.2-90.1-170.400110.6S301 V302 G327 Y405S301-E305 WeakPolarHBondContact O-CG 3.48Å; V302-E305 PolarHBondContact O-N 2.79Å; E305-G327 PolarHBondContact O-N 2.76Å; E305-Y405 HydrophobicContact CB-CE1 4.04Å; E305-Y405 HydrophobicContact CG-CE1 4.16Å
306K95.8Very high92.9Very high66 Ų6639.6 Ų39.629%0.28721%0.211SC..EExtended strand (participates in β ladder)trans-99.2121.2175.9-167.5-168.6-166.591.60111T324 L325 D326 M333 V406K306-T324 HydrophobicContact CG-CG2 3.98Å; K306-L325 WeakPolarHBondContact CA-O 3.3Å; K306-D326 VanDerWaalsContact CD-OD2 3.28Å; K306-D326 WeakPolarHBondContact CD-OD2 3.45Å; K306-D326 WeakPolarHBondContact CE-OD2 3.21Å; K306-D326 HydrophobicContact CG-CB 4.05Å; K306-D326 VanDerWaalsContact CG-OD2 3.26Å; K306-D326 WeakPolarHBondContact CG-OD2 3.44Å; K306-D326 IonicContact NZ-OD2 3.71Å; K306-D326 PolarHBondContact NZ-OD2 3.19Å; K306-M333 PolarHBondContact NZ-SD 2.89Å; K306-V406 HydrophobicContact CB-CG2 4.48Å; K306-V406 HydrophobicContact CD-CG2 3.98Å; K306-V406 HydrophobicContact CG-CG2 3.8Å
307W96.4Very high92.3Very high0 Ų040.7 Ų40.70%022%0.224CC..EExtended strand (participates in β ladder)trans-151.3149-175.262.3-75.9000114.4L296 Y298 V302 L309 T324 L325 K404 Y405 V412 F414L296-W307 HydrophobicContact CD1-CH2 3.91Å; L296-W307 HydrophobicContact CD1-CZ2 4.44Å; Y298-W307 AromaticContact CD1-CZ2 3.95Å; Y298-W307 HydrophobicContact CD1-CZ2 3.95Å; Y298-W307 HydrophobicContact CD2-CZ2 4.19Å; Y298-W307 HydrophobicContact CE1-CZ2 4.3Å; Y298-W307 HydrophobicContact CE2-CZ2 4.48Å; Y298-W307 AromaticContact CG-CZ2 3.91Å; Y298-W307 HydrophobicContact CG-CZ2 3.91Å; V302-W307 HydrophobicContact CG1-CZ2 4.04Å; W307-L309 HydrophobicContact CH2-CD1 4.17Å; W307-L309 HydrophobicContact CZ3-CB 4.17Å; W307-L309 HydrophobicContact CZ3-CD1 3.97Å; W307-T324 CarbonylContact O-C 3.51Å; W307-T324 WeakPolarHBondContact O-CA 3.24Å; W307-T324 WeakPolarHBondContact O-CG2 3.21Å; W307-L325 HydrophobicContact CH2-CD1 4.08Å; W307-L325 HydrophobicContact CZ2-CD1 3.68Å; W307-L325 PolarHBondContact N-O 2.83Å; W307-L325 PolarHBondContact O-N 2.78Å; W307-K404 CarbonylContact C-O 3.55Å; W307-K404 WeakPolarHBondContact CA-O 3.35Å; W307-K404 WeakPolarHBondContact CB-O 3.35Å; W307-Y405 HydrophobicContact CB-CD1 4.46Å; W307-V412 HydrophobicContact CB-CG2 3.68Å; W307-V412 HydrophobicContact CD2-CB 4.4Å; W307-V412 HydrophobicContact CD2-CG1 4.04Å; W307-V412 HydrophobicContact CD2-CG2 4.1Å; W307-V412 HydrophobicContact CE3-CB 4.18Å; W307-V412 HydrophobicContact CE3-CG1 4.19Å; W307-V412 HydrophobicContact CE3-CG2 4.07Å; W307-V412 HydrophobicContact CG-CG1 4.35Å; W307-V412 HydrophobicContact CG-CG2 3.97Å; W307-F414 HydrophobicContact CH2-CB 4.43Å; W307-F414 HydrophobicContact CH2-CD2 4.06Å; W307-F414 HydrophobicContact CH2-CE2 4.4Å; W307-F414 HydrophobicContact CH2-CG 4.14Å; W307-F414 HydrophobicContact CZ3-CD1 4.42Å; W307-F414 HydrophobicContact CZ3-CD2 4.43Å; W307-F414 HydrophobicContact CZ3-CE1 4.47Å; W307-F414 HydrophobicContact CZ3-CE2 4.43Å; W307-F414 HydrophobicContact CZ3-CG 4.42Å; W307-F414 HydrophobicContact CZ3-CZ 4.47Å
308D97.4Very high91.9Very high9 Ų942.2 Ų42.25%0.04824%0.237CC..EExtended strand (participates in β ladder)trans-85110.9176.5-56.9-46000109.7W310 R311 T324 G403 K404D308-W310 VanDerWaalsContact C-N 3.26Å; D308-R311 HydrophobicContact CB-CB 4.17Å; D308-R311 HydrophobicContact CB-CG 4.34Å; D308-R311 WeakPolarHBondContact OD2-CD 3.44Å; D308-R311 IonicContact OD2-CZ 3.11Å; D308-R311 IonicContact OD2-NE 2.76Å; D308-R311 IonicContact OD2-NH1 2.79Å; D308-R311 PolarHBondContact OD2-NH1 2.75Å; D308-T324 WeakPolarHBondContact OD1-CB 3.34Å; D308-T324 WeakPolarHBondContact OD1-CG2 3.44Å; D308-T324 PolarHBondContact OD1-OG1 2.82Å; D308-G403 CarbonylContact O-C 3.48Å; D308-G403 WeakPolarHBondContact O-CA 3.37Å; D308-G403 PolarHBondContact O-N 3.32Å; D308-G403 VanDerWaalsContact O-N 3.17Å; D308-K404 PolarHBondContact N-O 2.8Å; D308-K404 PolarHBondContact O-N 3.29Å
309L97.6Very high91.5Very high0 Ų044 Ų440%025%0.249CC..EExtended strand (participates in β ladder)trans-61-42169.9173.556.3000110.1F292 A294 L296 W307 V323 V402 G403 F414 I416F292-L309 HydrophobicContact CE1-CD2 4.35Å; F292-L309 HydrophobicContact CZ-CD2 4.36Å; A294-L309 HydrophobicContact CB-CD2 3.75Å; L296-L309 HydrophobicContact CD1-CD1 3.9Å; L296-L309 HydrophobicContact CD1-CD2 4.23Å; L296-L309 HydrophobicContact CD2-CD2 4.07Å; W307-L309 HydrophobicContact CH2-CD1 4.17Å; W307-L309 HydrophobicContact CZ3-CB 4.17Å; W307-L309 HydrophobicContact CZ3-CD1 3.97Å; L309-V323 WeakPolarHBondContact CB-O 3.35Å; L309-V323 PolarHBondContact N-O 3.31Å; L309-V402 WeakPolarHBondContact O-CA 3.29Å; L309-V402 WeakPolarHBondContact O-CG1 3.24Å; L309-G403 PolarHBondContact O-N 3.09Å; L309-F414 HydrophobicContact CD1-CE2 3.89Å; L309-F414 HydrophobicContact CD1-CZ 4.32Å; L309-I416 HydrophobicContact CD1-CD1 4.5Å
310W97Very high91.5Very high2 Ų239.6 Ų39.61%0.00823%0.231CC..EExtended strand (participates in β ladder)trans-148.8139.9174.317076.6000109.6F282 F286 F292 D308 I312 M321 A322 V323 T400 Q401 I421F282-W310 AromaticContact CE2-CZ2 3.62Å; F282-W310 HydrophobicContact CE2-CZ2 3.62Å; F282-W310 AromaticContact CZ-CZ2 3.63Å; F282-W310 HydrophobicContact CZ-CZ2 3.63Å; F286-W310 HydrophobicContact CE2-CH2 4.38Å; F286-W310 AromaticContact CZ-CH2 3.9Å; F286-W310 HydrophobicContact CZ-CH2 3.9Å; F286-W310 AromaticContact CZ-CZ2 3.99Å; F286-W310 HydrophobicContact CZ-CZ2 3.99Å; F292-W310 HydrophobicContact CD2-CE3 4.26Å; F292-W310 HydrophobicContact CE2-CB 3.99Å; F292-W310 AromaticContact CE2-CD2 3.98Å; F292-W310 HydrophobicContact CE2-CD2 3.98Å; F292-W310 AromaticContact CE2-CE3 3.79Å; F292-W310 HydrophobicContact CE2-CE3 3.79Å; F292-W310 HydrophobicContact CE2-CG 4.11Å; F292-W310 HydrophobicContact CZ-CB 4.13Å; D308-W310 VanDerWaalsContact C-N 3.26Å; W310-I312 HydrophobicContact CH2-CD1 3.93Å; W310-I312 HydrophobicContact CH2-CG1 4.12Å; W310-I312 HydrophobicContact CZ2-CD1 3.65Å; W310-I312 HydrophobicContact CZ2-CG1 3.67Å; W310-M321 HydrophobicContact CH2-CB 4.04Å; W310-M321 HydrophobicContact CH2-CE 4Å; W310-M321 HydrophobicContact CH2-SD 4.06Å; W310-M321 HydrophobicContact CZ3-CB 3.99Å; W310-M321 HydrophobicContact CZ3-CE 4.24Å; W310-A322 CarbonylContact O-C 3.58Å; W310-A322 WeakPolarHBondContact O-CA 3.43Å; W310-V323 HydrophobicContact CE3-CG2 4.19Å; W310-V323 PolarHBondContact N-O 2.98Å; W310-V323 PolarHBondContact O-N 3.15Å; W310-T400 VanDerWaalsContact NE1-CG2 3.33Å; W310-Q401 WeakPolarHBondContact CA-O 3.36Å; W310-I421 HydrophobicContact CH2-CD1 3.92Å; W310-I421 HydrophobicContact CZ2-CD1 3.89Å; W310-I421 HydrophobicContact CZ3-CD1 4.45Å
311R94.7Very high91.6Very high4 Ų437.8 Ų37.82%0.01521%0.211CC..EExtended strand (participates in β ladder)trans-147.3154.3173.672.3-168.9-170.7-1675.9113.2D308 Q313 M321 A322 T400 Q401 Y405 V406 E409D308-R311 HydrophobicContact CB-CB 4.17Å; D308-R311 HydrophobicContact CB-CG 4.34Å; D308-R311 WeakPolarHBondContact OD2-CD 3.44Å; D308-R311 IonicContact OD2-CZ 3.11Å; D308-R311 IonicContact OD2-NE 2.76Å; D308-R311 IonicContact OD2-NH1 2.79Å; D308-R311 PolarHBondContact OD2-NH1 2.75Å; R311-Q313 HydrophobicContact CG-CG 4.45Å; R311-M321 CarbonylContact C-O 3.57Å; R311-M321 VanDerWaalsContact CA-O 3.25Å; R311-M321 WeakPolarHBondContact CA-O 3.36Å; R311-A322 HydrophobicContact CB-CB 4Å; R311-T400 CarbonylContact O-C 3.29Å; R311-T400 WeakPolarHBondContact O-CA 3.45Å; R311-Q401 HydrophobicContact CG-CB 4.12Å; R311-Q401 PolarHBondContact N-O 2.93Å; R311-Q401 PolarHBondContact O-N 2.88Å; R311-Y405 PolarHBondContact NH1-O 3.23Å; R311-Y405 VanDerWaalsContact NH1-O 3.15Å; R311-V406 PolarHBondContact NH1-O 3.5Å; R311-E409 IonicContact NH2-OE1 2.73Å; R311-E409 PolarHBondContact NH2-OE1 2.92Å; R311-E409 VanDerWaalsContact NH2-OE1 3.11Å
312I92.8Very high92Very high0 Ų034 Ų340%019%0.185CC..EExtended strand (participates in β ladder)trans-115.8132.2164.1-55.3178.9000107.3T275 F282 F286 W310 Q320 M321 I394 K399 T400T275-I312 HydrophobicContact CG2-CG2 4.16Å; F282-I312 HydrophobicContact CD2-CD1 3.6Å; F282-I312 HydrophobicContact CD2-CG1 4.42Å; F282-I312 HydrophobicContact CE2-CD1 3.76Å; F282-I312 HydrophobicContact CE2-CG1 4.25Å; F286-I312 HydrophobicContact CE2-CD1 3.8Å; F286-I312 HydrophobicContact CZ-CD1 4.1Å; W310-I312 HydrophobicContact CH2-CD1 3.93Å; W310-I312 HydrophobicContact CH2-CG1 4.12Å; W310-I312 HydrophobicContact CZ2-CD1 3.65Å; W310-I312 HydrophobicContact CZ2-CG1 3.67Å; I312-Q320 HydrophobicContact CB-CB 4.23Å; I312-Q320 HydrophobicContact CG2-CB 4.07Å; I312-Q320 PolarHBondContact O-N 3.21Å; I312-M321 HydrophobicContact CB-CB 4.48Å; I312-M321 HydrophobicContact CD1-SD 4.12Å; I312-M321 PolarHBondContact N-O 3.38Å; I312-M321 PolarHBondContact O-N 2.72Å; I312-I394 HydrophobicContact CD1-CD1 3.65Å; I312-K399 WeakPolarHBondContact CA-O 3.37Å; I312-T400 HydrophobicContact CG1-CG2 4.41Å
313Q91Very high92.3Very high21 Ų2134 Ų3410%0.09819%0.185CC..EExtended strand (participates in β ladder)trans-128.8152.3175.3-72.8174.2-50.500110.9R311 G317 D318 G398 K399 Q401R311-Q313 HydrophobicContact CG-CG 4.45Å; Q313-G317 PolarHBondContact NE2-O 3.45Å; Q313-D318 CarbonylContact C-O 3.53Å; Q313-D318 WeakPolarHBondContact CA-O 3.26Å; Q313-G398 CarbonylContact O-C 3.51Å; Q313-G398 VanDerWaalsContact O-CA 3.25Å; Q313-G398 WeakPolarHBondContact O-CA 3.16Å; Q313-K399 PolarHBondContact N-O 3.23Å; Q313-K399 PolarHBondContact O-N 3.18Å; Q313-Q401 VanDerWaalsContact OE1-OE1 3.09Å
314T88.6Confident92.7Very high8 Ų833.9 Ų33.95%0.04918%0.183CC..  trans-68.1174.3167.170.30000110.8D316 G317 D318 Q320 F395 N397T314-D316 PolarHBondContact O-N 3.04Å; T314-D316 PolarHBondContact OG1-N 3.14Å; T314-G317 PolarHBondContact O-N 2.82Å; T314-G317 VanDerWaalsContact O-N 3.14Å; T314-D318 HydrophobicContact CG2-CB 4.16Å; T314-D318 PolarHBondContact N-O 3.06Å; T314-D318 WeakPolarHBondContact OG1-CB 3.34Å; T314-D318 PolarHBondContact OG1-N 3.04Å; T314-Q320 HydrophobicContact CG2-CG 3.8Å; T314-F395 HydrophobicContact CG2-CB 4.22Å; T314-N397 WeakPolarHBondContact CA-OD1 3.44Å; T314-N397 WeakPolarHBondContact CB-OD1 3.28Å
315H85.7Confident92.9Very high133 Ų13330 Ų3062%0.61616%0.159SC*.THydrogen-bonded Turntrans-63.8-24.5174.477.5-44.4000113.9G317H315-G317 VanDerWaalsContact C-N 3.27Å
316D84.9Confident93Very high112 Ų11226.7 Ų26.760%0.59914%0.144SC*.THydrogen-bonded Turntrans-80.2-10.8177.4-54-70.1000112.3T314T314-D316 PolarHBondContact O-N 3.04Å; T314-D316 PolarHBondContact OG1-N 3.14Å
317G85.1Confident92.8Very high29 Ų2923.8 Ų23.830%0.29913%0.133SC..  trans94.5-2-176.400000114.4Q313 T314 H315Q313-G317 PolarHBondContact NE2-O 3.45Å; T314-G317 PolarHBondContact O-N 2.82Å; T314-G317 VanDerWaalsContact O-N 3.14Å; H315-G317 VanDerWaalsContact C-N 3.27Å
318D87.3Confident92.4Very high92 Ų9229.5 Ų29.549%0.49216%0.163SC..  trans-61.8127.9177.8-61-49.4000110.1Q313 T314Q313-D318 CarbonylContact C-O 3.53Å; Q313-D318 WeakPolarHBondContact CA-O 3.26Å; T314-D318 HydrophobicContact CG2-CB 4.16Å; T314-D318 PolarHBondContact N-O 3.06Å; T314-D318 WeakPolarHBondContact OG1-CB 3.34Å; T314-D318 PolarHBondContact OG1-N 3.04Å
319P89.1Confident92.1Very high48 Ų4833.8 Ų33.831%0.31219%0.185SC..EExtended strand (participates in β ladder)trans-63.5142.1175.628.5-34.7000110.2I344P319-I344 HydrophobicContact CG-CD1 3.67Å; P319-I344 VanDerWaalsContact O-CG2 3.32Å; P319-I344 WeakPolarHBondContact O-CG2 3.49Å
320Q91.4Very high91.9Very high14 Ų1435.6 Ų35.67%0.06520%0.195CC..EExtended strand (participates in β ladder)trans-113.1-45.4172.3-66.1-64.4-75.900109.8I312 T314 T336 T337 I394 F395I312-Q320 HydrophobicContact CB-CB 4.23Å; I312-Q320 HydrophobicContact CG2-CB 4.07Å; I312-Q320 PolarHBondContact O-N 3.21Å; T314-Q320 HydrophobicContact CG2-CG 3.8Å; Q320-T336 CarbonylContact O-C 3.52Å; Q320-T336 WeakPolarHBondContact O-CA 3.4Å; Q320-T337 PolarHBondContact O-N 2.93Å; Q320-I394 HydrophobicContact CB-CB 4.4Å; Q320-I394 HydrophobicContact CB-CG2 4.18Å; Q320-F395 VanDerWaalsContact OE1-CD2 3.3Å
321M93.9Very high91.8Very high3 Ų336.1 Ų36.12%0.01520%0.198CC..EExtended strand (participates in β ladder)trans-144.6147.6171.8-62.6174.978.200109.8F286 Y290 W310 R311 I312 F334 T335 I394F286-M321 HydrophobicContact CD2-CE 4.07Å; F286-M321 HydrophobicContact CD2-SD 3.57Å; F286-M321 VanDerWaalsContact CD2-SD 3.57Å; F286-M321 HydrophobicContact CE2-CE 4.01Å; F286-M321 HydrophobicContact CE2-SD 3.3Å; F286-M321 WeakPolarHBondContact CE2-SD 3.47Å; F286-M321 HydrophobicContact CZ-SD 4.18Å; Y290-M321 WeakPolarHBondContact OH-CE 3.47Å; W310-M321 HydrophobicContact CH2-CB 4.04Å; W310-M321 HydrophobicContact CH2-CE 4Å; W310-M321 HydrophobicContact CH2-SD 4.06Å; W310-M321 HydrophobicContact CZ3-CB 3.99Å; W310-M321 HydrophobicContact CZ3-CE 4.24Å; R311-M321 CarbonylContact C-O 3.57Å; R311-M321 VanDerWaalsContact CA-O 3.25Å; R311-M321 WeakPolarHBondContact CA-O 3.36Å; I312-M321 HydrophobicContact CB-CB 4.48Å; I312-M321 HydrophobicContact CD1-SD 4.12Å; I312-M321 PolarHBondContact N-O 3.38Å; I312-M321 PolarHBondContact O-N 2.72Å; M321-F334 HydrophobicContact CE-CE2 4.45Å; M321-F334 HydrophobicContact CE-CZ 4.32Å; M321-T335 CarbonylContact C-O 3.46Å; M321-T335 WeakPolarHBondContact CA-O 3.37Å; M321-I394 HydrophobicContact CG-CG2 3.69Å; M321-I394 HydrophobicContact SD-CG2 3.56Å; M321-I394 VanDerWaalsContact SD-CG2 3.56Å
322A96.3Very high91.9Very high5 Ų535.9 Ų35.94%0.04120%0.198CC..EExtended strand (participates in β ladder)trans-152.8147.3170.800000112.2W310 R311 F334 T335W310-A322 CarbonylContact O-C 3.58Å; W310-A322 WeakPolarHBondContact O-CA 3.43Å; R311-A322 HydrophobicContact CB-CB 4Å; A322-F334 WeakPolarHBondContact O-CA 3.05Å; A322-T335 PolarHBondContact N-O 2.03Å; A322-T335 PolarHBondContact O-N 3.47Å
323V98Very high92.1Very high0 Ų037.6 Ų37.60%021%0.206CC..EExtended strand (participates in β ladder)trans-112.7107.1160.2177.50000106.5F292 L309 W310 M333 F334 L365 L367F292-V323 HydrophobicContact CD1-CG2 4.21Å; F292-V323 HydrophobicContact CD2-CG2 4.18Å; F292-V323 HydrophobicContact CE1-CB 4.27Å; F292-V323 HydrophobicContact CE1-CG1 4.04Å; F292-V323 HydrophobicContact CE1-CG2 3.97Å; F292-V323 HydrophobicContact CE2-CG2 3.94Å; F292-V323 HydrophobicContact CG-CG2 4.31Å; F292-V323 HydrophobicContact CZ-CB 4.04Å; F292-V323 HydrophobicContact CZ-CG1 4.25Å; F292-V323 HydrophobicContact CZ-CG2 3.82Å; L309-V323 WeakPolarHBondContact CB-O 3.35Å; L309-V323 PolarHBondContact N-O 3.31Å; W310-V323 HydrophobicContact CE3-CG2 4.19Å; W310-V323 PolarHBondContact N-O 2.98Å; W310-V323 PolarHBondContact O-N 3.15Å; V323-M333 WeakPolarHBondContact CA-O 3.31Å; V323-F334 HydrophobicContact CG2-CD2 4.11Å; V323-L365 HydrophobicContact CG1-CD2 4.34Å; V323-L367 HydrophobicContact CG1-CD1 4.25Å; V323-L367 HydrophobicContact CG2-CD1 3.77Å
324T97.6Very high92.4Very high7 Ų736.7 Ų36.74%0.04320%0.202CC..EExtended strand (participates in β ladder)trans-109.9134.7-174.3-46.40000109.7K306 W307 D308 M333 V406K306-T324 HydrophobicContact CG-CG2 3.98Å; W307-T324 CarbonylContact O-C 3.51Å; W307-T324 WeakPolarHBondContact O-CA 3.24Å; W307-T324 WeakPolarHBondContact O-CG2 3.21Å; D308-T324 WeakPolarHBondContact OD1-CB 3.34Å; D308-T324 WeakPolarHBondContact OD1-CG2 3.44Å; D308-T324 PolarHBondContact OD1-OG1 2.82Å; T324-M333 PolarHBondContact N-O 2.74Å; T324-M333 PolarHBondContact O-N 3.11Å; T324-V406 HydrophobicContact CG2-CG2 3.68Å
325L96.9Very high92.7Very high2 Ų236.8 Ų36.81%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-104127.3171.3-60.2179.7000108.2L296 Y298 K306 W307 V332 F358 L365L296-L325 HydrophobicContact CD1-CD1 4.15Å; Y298-L325 HydrophobicContact CE1-CD1 4.04Å; K306-L325 WeakPolarHBondContact CA-O 3.3Å; W307-L325 HydrophobicContact CH2-CD1 4.08Å; W307-L325 HydrophobicContact CZ2-CD1 3.68Å; W307-L325 PolarHBondContact N-O 2.83Å; W307-L325 PolarHBondContact O-N 2.78Å; L325-V332 HydrophobicContact CD2-CG1 4.45Å; L325-V332 HydrophobicContact CD2-CG2 3.82Å; L325-F358 HydrophobicContact CB-CE1 4.36Å; L325-F358 HydrophobicContact CB-CZ 4.43Å; L325-L365 HydrophobicContact CD2-CD1 3.77Å
326D95.4Very high93.1Very high6 Ų630.7 Ų30.73%0.03217%0.174CC..EExtended strand (participates in β ladder)trans-114.2103.4176.5-163.5-41.7000110.5K306 L328 D329 N330 T331 F358K306-D326 VanDerWaalsContact CD-OD2 3.28Å; K306-D326 WeakPolarHBondContact CD-OD2 3.45Å; K306-D326 WeakPolarHBondContact CE-OD2 3.21Å; K306-D326 HydrophobicContact CG-CB 4.05Å; K306-D326 VanDerWaalsContact CG-OD2 3.26Å; K306-D326 WeakPolarHBondContact CG-OD2 3.44Å; K306-D326 IonicContact NZ-OD2 3.71Å; K306-D326 PolarHBondContact NZ-OD2 3.19Å; D326-L328 VanDerWaalsContact C-N 3.31Å; D326-L328 PolarHBondContact O-N 3.33Å; D326-L328 WeakPolarHBondContact OD1-CB 3.49Å; D326-L328 PolarHBondContact OD1-N 2.76Å; D326-D329 PolarHBondContact OD1-N 2.72Å; D326-N330 CarbonylContact O-C 3.52Å; D326-N330 WeakPolarHBondContact O-CA 3.26Å; D326-N330 PolarHBondContact O-N 3.05Å; D326-T331 WeakPolarHBondContact CB-OG1 3.43Å; D326-T331 PolarHBondContact N-O 2.8Å; D326-T331 PolarHBondContact O-N 2.85Å; D326-F358 WeakPolarHBondContact O-CE1 3.28Å; D326-F358 WeakPolarHBondContact O-CZ 3.49Å
327G91Very high93.4Very high4 Ų426 Ų264%0.04115%0.15CC..THydrogen-bonded Turntrans-74.6-14.217900000115.3A303 E305A303-G327 WeakPolarHBondContact O-CA 3.45Å; E305-G327 PolarHBondContact O-N 2.76Å
328L89.5Confident93.4Very high121 Ų12124.8 Ų24.863%0.63414%0.137SC*.THydrogen-bonded Turntrans-76.3-51.1176-65170.9000109.7V304 D326V304-L328 WeakPolarHBondContact O-CD2 3.01Å; V304-L328 WeakPolarHBondContact O-CG 3.33Å; D326-L328 VanDerWaalsContact C-N 3.31Å; D326-L328 PolarHBondContact O-N 3.33Å; D326-L328 WeakPolarHBondContact OD1-CB 3.49Å; D326-L328 PolarHBondContact OD1-N 2.76Å
329D91.2Very high92.9Very high98 Ų9825.7 Ų25.752%0.52414%0.142SC..THydrogen-bonded Turntrans-87.9-9.8179.6-67.2-36.1000112.7D326 T331 Q351D326-D329 PolarHBondContact OD1-N 2.72Å; D329-T331 VanDerWaalsContact C-N 3.32Å; D329-T331 HydrophobicContact CB-CG2 3.84Å; D329-Q351 WeakPolarHBondContact O-CB 3.2Å; D329-Q351 PolarHBondContact O-NE2 2.82Å
330N92.3Very high92.1Very high38 Ų3827.1 Ų27.120%0.20315%0.15CC..THydrogen-bonded Turntrans54.943.9-169.7-60.7-94.8000112.3D326 Q351 A354 F358D326-N330 CarbonylContact O-C 3.52Å; D326-N330 WeakPolarHBondContact O-CA 3.26Å; D326-N330 PolarHBondContact O-N 3.05Å; N330-Q351 HydrophobicContact CB-CG 4.15Å; N330-A354 VanDerWaalsContact O-CB 3.32Å; N330-A354 WeakPolarHBondContact O-CB 3.48Å; N330-F358 VanDerWaalsContact C-CE2 3.45Å; N330-F358 HydrophobicContact CB-CD2 3.91Å; N330-F358 HydrophobicContact CB-CE2 4.1Å; N330-F358 HydrophobicContact CB-CG 4.4Å; N330-F358 WeakPolarHBondContact OD1-CB 3.26Å
331T95Very high90.7Very high13 Ų1331.8 Ų31.88%0.0818%0.182CC..EExtended strand (participates in β ladder)trans-112.4154.8-177.659.80000112.2D326 D329 T348 F349D326-T331 WeakPolarHBondContact CB-OG1 3.43Å; D326-T331 PolarHBondContact N-O 2.8Å; D326-T331 PolarHBondContact O-N 2.85Å; D329-T331 VanDerWaalsContact C-N 3.32Å; D329-T331 HydrophobicContact CB-CG2 3.84Å; T331-T348 HydrophobicContact CG2-CG2 4.12Å; T331-F349 WeakPolarHBondContact CA-O 3.44Å; T331-F349 WeakPolarHBondContact CB-O 3.38Å; T331-F349 WeakPolarHBondContact CG2-O 3.49Å
332V97.2Very high89.2Confident0 Ų037.8 Ų37.80%021%0.214CC..EExtended strand (participates in β ladder)trans-107134.4166.2177.80000107.4L325 F349 A354 L357 L365 L376L325-V332 HydrophobicContact CD2-CG1 4.45Å; L325-V332 HydrophobicContact CD2-CG2 3.82Å; V332-F349 HydrophobicContact CB-CB 4.34Å; V332-F349 HydrophobicContact CB-CD2 4.08Å; V332-F349 HydrophobicContact CG1-CD2 4.11Å; V332-F349 PolarHBondContact N-O 2.9Å; V332-F349 WeakPolarHBondContact O-CD2 3.43Å; V332-F349 PolarHBondContact O-N 2.66Å; V332-A354 HydrophobicContact CG2-CB 3.86Å; V332-L357 HydrophobicContact CG2-CD1 3.39Å; V332-L365 HydrophobicContact CG1-CD1 4.09Å; V332-L365 HydrophobicContact CG2-CD1 4.04Å; V332-L376 HydrophobicContact CB-CD2 4.26Å; V332-L376 HydrophobicContact CG2-CD2 4.2Å
333M97Very high88.4Confident35 Ų3540 Ų4017%0.17223%0.227CC..EExtended strand (participates in β ladder)trans-120133.3176.1-54.7170.364.100109.9K306 V323 T324 T346 V347 T348K306-M333 PolarHBondContact NZ-SD 2.89Å; V323-M333 WeakPolarHBondContact CA-O 3.31Å; T324-M333 PolarHBondContact N-O 2.74Å; T324-M333 PolarHBondContact O-N 3.11Å; M333-T346 HydrophobicContact CB-CG2 4.09Å; M333-T346 HydrophobicContact CE-CG2 3.52Å; M333-V347 CarbonylContact C-O 3.56Å; M333-V347 VanDerWaalsContact CA-O 3.28Å; M333-V347 WeakPolarHBondContact CA-O 3.39Å; M333-T348 HydrophobicContact CG-CG2 3.99Å
334F97.4Very high88Confident2 Ų243.9 Ų43.91%0.00925%0.247CC..EExtended strand (participates in β ladder)trans-112.4119.1170.5175.6-107000109Y290 M321 A322 V323 T336 T346 V347 F349 L367 V369 V374 L388Y290-F334 WeakPolarHBondContact OH-CZ 3.23Å; M321-F334 HydrophobicContact CE-CE2 4.45Å; M321-F334 HydrophobicContact CE-CZ 4.32Å; A322-F334 WeakPolarHBondContact O-CA 3.05Å; V323-F334 HydrophobicContact CG2-CD2 4.11Å; F334-T336 HydrophobicContact CD1-CG2 4.45Å; F334-T336 HydrophobicContact CE1-CG2 3.63Å; F334-T336 HydrophobicContact CZ-CG2 4.14Å; F334-T346 CarbonylContact O-C 3.54Å; F334-T346 WeakPolarHBondContact O-CA 3.2Å; F334-V347 PolarHBondContact N-O 2.99Å; F334-V347 PolarHBondContact O-N 3.44Å; F334-F349 HydrophobicContact CB-CE2 4.45Å; F334-L367 HydrophobicContact CB-CD1 4.23Å; F334-L367 HydrophobicContact CD2-CD1 3.95Å; F334-L367 HydrophobicContact CG-CD1 4.33Å; F334-V369 HydrophobicContact CE1-CG1 4.37Å; F334-V369 HydrophobicContact CE1-CG2 4.19Å; F334-V369 HydrophobicContact CE2-CG2 4.27Å; F334-V369 HydrophobicContact CZ-CG1 4.36Å; F334-V369 HydrophobicContact CZ-CG2 3.92Å; F334-V374 HydrophobicContact CD1-CG1 4.35Å; F334-V374 HydrophobicContact CD1-CG2 3.71Å; F334-V374 HydrophobicContact CE1-CG2 3.87Å; F334-L388 HydrophobicContact CD1-CD1 4.39Å; F334-L388 HydrophobicContact CE1-CD1 4.27Å; F334-L388 HydrophobicContact CE1-CD2 4.49Å
335T95.6Very high87.8Confident11 Ų1144.8 Ų44.87%0.06725%0.25CS..EExtended strand (participates in β ladder)trans-109.4138176.4-58.60000109.4M321 A322 I344 Q345 T346M321-T335 CarbonylContact C-O 3.46Å; M321-T335 WeakPolarHBondContact CA-O 3.37Å; A322-T335 PolarHBondContact N-O 2.03Å; A322-T335 PolarHBondContact O-N 3.47Å; T335-I344 HydrophobicContact CG2-CB 4.12Å; T335-I344 HydrophobicContact CG2-CD1 4.39Å; T335-Q345 WeakPolarHBondContact CA-O 3.44Å; T335-T346 WeakPolarHBondContact CG2-OG1 3.42Å; T335-T346 VanDerWaalsContact OG1-CG2 3.29Å; T335-T346 WeakPolarHBondContact OG1-CG2 3.4Å; T335-T346 PolarHBondContact OG1-OG1 3.05Å
336T93.8Very high87.7Confident4 Ų447.7 Ų47.73%0.02527%0.268CS..EExtended strand (participates in β ladder)trans-152.7176.5174.6-168.80000110.4Q320 F334 I344 Q345 L388Q320-T336 CarbonylContact O-C 3.52Å; Q320-T336 WeakPolarHBondContact O-CA 3.4Å; F334-T336 HydrophobicContact CD1-CG2 4.45Å; F334-T336 HydrophobicContact CE1-CG2 3.63Å; F334-T336 HydrophobicContact CZ-CG2 4.14Å; T336-I344 CarbonylContact O-C 3.58Å; T336-I344 WeakPolarHBondContact O-CA 3.41Å; T336-Q345 HydrophobicContact CG2-CG 3.75Å; T336-Q345 PolarHBondContact N-O 3.38Å; T336-Q345 WeakPolarHBondContact O-CG 3.43Å; T336-Q345 PolarHBondContact O-N 3.25Å; T336-L388 HydrophobicContact CG2-CD1 3.92Å; T336-L388 HydrophobicContact CG2-CD2 4.36Å
337T90.3Very high87.7Confident13 Ų1348.1 Ų48.18%0.0827%0.271CS..EExtended strand (participates in β ladder)trans-75.8150.4174.358.80000111.7Q320 Q345 S391 G393Q320-T337 PolarHBondContact O-N 2.93Å; T337-Q345 PolarHBondContact O-NE2 2.83Å; T337-S391 WeakPolarHBondContact O-CA 3.34Å; T337-S391 VanDerWaalsContact O-CB 3.23Å; T337-S391 WeakPolarHBondContact O-CB 3.24Å; T337-G393 WeakPolarHBondContact CB-O 3.33Å; T337-G393 VanDerWaalsContact CG2-O 3.28Å; T337-G393 WeakPolarHBondContact CG2-O 3.43Å; T337-G393 PolarHBondContact OG1-O 3.38Å
338S85.9Confident87.9Confident5 Ų550.9 Ų50.94%0.03529%0.287CS..  trans-108.3164.8174.3155.50000111.4T340 T343 E389 V392S338-T340 PolarHBondContact O-N 3.09Å; S338-T340 PolarHBondContact OG-N 3.37Å; S338-T340 PolarHBondContact OG-OG1 3.28Å; S338-T343 WeakPolarHBondContact CB-OG1 3.4Å; S338-T343 PolarHBondContact N-O 2.97Å; S338-E389 WeakPolarHBondContact CB-OE2 3.46Å; S338-E389 PolarHBondContact OG-OE2 2.9Å; S338-V392 VanDerWaalsContact O-CG2 3.31Å; S338-V392 WeakPolarHBondContact O-CG2 3.48Å
339N76.2Confident88.2Confident110 Ų11045.1 Ų45.159%0.58826%0.257SS*.SBendtrans-53.2-27.1172.4-163.49.8000113.2P341 P390 V392N339-P341 WeakPolarHBondContact O-CD 3.41Å; N339-P390 PolarHBondContact N-O 3.45Å; N339-P390 VanDerWaalsContact N-O 3.08Å; N339-V392 VanDerWaalsContact CA-CG2 3.47Å
340T71.4Confident88Confident78 Ų7842.6 Ų42.648%0.47925%0.247SC..SBendtrans-73.1123.2170.628.50000111.5S338 N342 T343S338-T340 PolarHBondContact O-N 3.09Å; S338-T340 PolarHBondContact OG-N 3.37Å; S338-T340 PolarHBondContact OG-OG1 3.28Å; T340-N342 PolarHBondContact O-N 2.99Å; T340-T343 WeakPolarHBondContact CB-OG1 3.42Å; T340-T343 WeakPolarHBondContact O-CB 3.4Å; T340-T343 PolarHBondContact O-N 2.81Å; T340-T343 VanDerWaalsContact O-N 3.1Å; T340-T343 PolarHBondContact O-OG1 3.31Å; T340-T343 PolarHBondContact OG1-OG1 3.48Å
341P62Low87.1Confident113 Ų11345.6 Ų45.673%0.73426%0.26SS*.THydrogen-bonded Turntrans-54.9134.7-175.6-28.235.3000113.3N339 T343N339-P341 WeakPolarHBondContact O-CD 3.41Å; P341-T343 PolarHBondContact O-N 2.97Å
342N63.7Low86.1Confident129 Ų12953.8 Ų53.869%0.6930%0.297SS*.THydrogen-bonded Turntrans57.424.1-178.5-57.4-8.8000114.7T340T340-N342 PolarHBondContact O-N 2.99Å
343T78.8Confident85Confident52 Ų5254.9 Ų54.932%0.31930%0.304SS..  trans-105.4144.317267.50000111.6S338 T340 P341S338-T343 WeakPolarHBondContact CB-OG1 3.4Å; S338-T343 PolarHBondContact N-O 2.97Å; T340-T343 WeakPolarHBondContact CB-OG1 3.42Å; T340-T343 WeakPolarHBondContact O-CB 3.4Å; T340-T343 PolarHBondContact O-N 2.81Å; T340-T343 VanDerWaalsContact O-N 3.1Å; T340-T343 PolarHBondContact O-OG1 3.31Å; T340-T343 PolarHBondContact OG1-OG1 3.48Å; P341-T343 PolarHBondContact O-N 2.97Å
344I89.4Confident84.3Confident81 Ų8153.2 Ų53.242%0.41530%0.295SS..EExtended strand (participates in β ladder)trans-101.3144.5167.262.3-176.4000109P319 T335 T336P319-I344 HydrophobicContact CG-CD1 3.67Å; P319-I344 VanDerWaalsContact O-CG2 3.32Å; P319-I344 WeakPolarHBondContact O-CG2 3.49Å; T335-I344 HydrophobicContact CG2-CB 4.12Å; T335-I344 HydrophobicContact CG2-CD1 4.39Å; T336-I344 CarbonylContact O-C 3.58Å; T336-I344 WeakPolarHBondContact O-CA 3.41Å
345Q93.1Very high83.7Confident26 Ų2661.6 Ų61.612%0.12133%0.327CS..EExtended strand (participates in β ladder)trans-112.4144.3166.255.4178.7-40.100108.5T335 T336 T337 L388 E389T335-Q345 WeakPolarHBondContact CA-O 3.44Å; T336-Q345 HydrophobicContact CG2-CG 3.75Å; T336-Q345 PolarHBondContact N-O 3.38Å; T336-Q345 WeakPolarHBondContact O-CG 3.43Å; T336-Q345 PolarHBondContact O-N 3.25Å; T337-Q345 PolarHBondContact O-NE2 2.83Å; Q345-L388 HydrophobicContact CG-CD1 4.31Å; Q345-E389 PolarHBondContact NE2-O 3.36Å
346T94.9Very high83.4Confident63 Ų6364.9 Ų64.939%0.38734%0.341SS..EExtended strand (participates in β ladder)trans-130.9117.4177.1-58.30000110.1M333 F334 T335M333-T346 HydrophobicContact CB-CG2 4.09Å; M333-T346 HydrophobicContact CE-CG2 3.52Å; F334-T346 CarbonylContact O-C 3.54Å; F334-T346 WeakPolarHBondContact O-CA 3.2Å; T335-T346 WeakPolarHBondContact CG2-OG1 3.42Å; T335-T346 VanDerWaalsContact OG1-CG2 3.29Å; T335-T346 WeakPolarHBondContact OG1-CG2 3.4Å; T335-T346 PolarHBondContact OG1-OG1 3.05Å
347V95.1Very high83.3Confident14 Ų1465 Ų659%0.08534%0.341CS..EExtended strand (participates in β ladder)trans-90.8136.9172.8171.30000108.6M333 F334 F349 Q386 L388M333-V347 CarbonylContact C-O 3.56Å; M333-V347 VanDerWaalsContact CA-O 3.28Å; M333-V347 WeakPolarHBondContact CA-O 3.39Å; F334-V347 PolarHBondContact N-O 2.99Å; F334-V347 PolarHBondContact O-N 3.44Å; V347-F349 HydrophobicContact CG1-CE1 4.28Å; V347-F349 HydrophobicContact CG1-CE2 4.14Å; V347-F349 HydrophobicContact CG1-CZ 3.9Å; V347-Q386 HydrophobicContact CG1-CB 3.29Å; V347-Q386 HydrophobicContact CG1-CG 3.81Å; V347-L388 HydrophobicContact CG2-CD1 3.79Å
348T95.8Very high83.5Confident62 Ų6265.3 Ų65.338%0.3834%0.341SS..EExtended strand (participates in β ladder)trans-124.3122.8179.6-570000110.4T331 M333T331-T348 HydrophobicContact CG2-CG2 4.12Å; M333-T348 HydrophobicContact CG-CG2 3.99Å
349F95.4Very high83.8Confident0 Ų068.1 Ų68.10%036%0.356CS..EExtended strand (participates in β ladder)trans-90132.4173.7-57.1-76.5000109.7T331 V332 F334 V347 L367 V374 L376 E384 Q386T331-F349 WeakPolarHBondContact CA-O 3.44Å; T331-F349 WeakPolarHBondContact CB-O 3.38Å; T331-F349 WeakPolarHBondContact CG2-O 3.49Å; V332-F349 HydrophobicContact CB-CB 4.34Å; V332-F349 HydrophobicContact CB-CD2 4.08Å; V332-F349 HydrophobicContact CG1-CD2 4.11Å; V332-F349 PolarHBondContact N-O 2.9Å; V332-F349 WeakPolarHBondContact O-CD2 3.43Å; V332-F349 PolarHBondContact O-N 2.66Å; F334-F349 HydrophobicContact CB-CE2 4.45Å; V347-F349 HydrophobicContact CG1-CE1 4.28Å; V347-F349 HydrophobicContact CG1-CE2 4.14Å; V347-F349 HydrophobicContact CG1-CZ 3.9Å; F349-L367 HydrophobicContact CE2-CD2 3.9Å; F349-L367 HydrophobicContact CZ-CD2 4.36Å; F349-V374 HydrophobicContact CE2-CG1 4.38Å; F349-V374 HydrophobicContact CZ-CB 4.09Å; F349-V374 HydrophobicContact CZ-CG1 3.85Å; F349-L376 HydrophobicContact CB-CD2 3.62Å; F349-L376 HydrophobicContact CD1-CB 3.77Å; F349-L376 HydrophobicContact CD1-CD2 4.29Å; F349-L376 HydrophobicContact CD2-CB 4.09Å; F349-L376 HydrophobicContact CD2-CD2 4.1Å; F349-L376 HydrophobicContact CE1-CB 3.83Å; F349-L376 HydrophobicContact CE2-CB 4.17Å; F349-L376 HydrophobicContact CG-CB 3.89Å; F349-L376 HydrophobicContact CG-CD2 3.74Å; F349-L376 HydrophobicContact CG-CG 4.43Å; F349-L376 HydrophobicContact CZ-CB 4.03Å; F349-E384 WeakPolarHBondContact CA-OE2 3.37Å; F349-E384 HydrophobicContact CD1-CB 3.88Å; F349-E384 HydrophobicContact CD1-CG 4.04Å; F349-Q386 HydrophobicContact CD1-CG 3.87Å; F349-Q386 HydrophobicContact CE1-CB 3.94Å; F349-Q386 HydrophobicContact CE1-CG 3.72Å; F349-Q386 HydrophobicContact CZ-CB 4.48Å
350S87.1Confident84.7Confident45 Ų4566.8 Ų66.832%0.31535%0.346SS..  trans-73.2166.7-16378.50000114.8Q352 T353 A354 E384S350-Q352 PolarHBondContact O-N 3.01Å; S350-Q352 PolarHBondContact OG-N 2.74Å; S350-T353 PolarHBondContact N-OG1 3.04Å; S350-T353 VanDerWaalsContact N-OG1 3.16Å; S350-T353 PolarHBondContact O-N 3.07Å; S350-T353 VanDerWaalsContact O-N 3.13Å; S350-T353 PolarHBondContact O-OG1 3.36Å; S350-T353 PolarHBondContact OG-OG1 2.95Å; S350-A354 PolarHBondContact O-N 3.25Å; S350-E384 PolarHBondContact N-OE2 3.43Å
351Q74.2Confident85.7Confident102 Ų10269.2 Ų69.248%0.47735%0.35SS..Hα-helixtrans-55.8-33.9174.3177.7164.4104.600113.2D329 N330 T353 R355D329-Q351 WeakPolarHBondContact O-CB 3.2Å; D329-Q351 PolarHBondContact O-NE2 2.82Å; N330-Q351 HydrophobicContact CB-CG 4.15Å; Q351-T353 PolarHBondContact O-N 3.48Å; Q351-R355 WeakPolarHBondContact O-CB 3.46Å; Q351-R355 PolarHBondContact O-N 3.32Å
352Q74.3Confident87.4Confident185 Ų18564.9 Ų64.986%0.86432%0.319SS*.Hα-helixtrans-69.8-26.2-177.6-62.3-173.411.400112.3S350S350-Q352 PolarHBondContact O-N 3.01Å; S350-Q352 PolarHBondContact OG-N 2.74Å
353T73.8Confident88.9Confident22 Ų2259.1 Ų59.114%0.13529%0.288CS..Hα-helixtrans-102-32.3-172.448.80000111.8S350 Q351 M383 E384S350-T353 PolarHBondContact N-OG1 3.04Å; S350-T353 VanDerWaalsContact N-OG1 3.16Å; S350-T353 PolarHBondContact O-N 3.07Å; S350-T353 VanDerWaalsContact O-N 3.13Å; S350-T353 PolarHBondContact O-OG1 3.36Å; S350-T353 PolarHBondContact OG-OG1 2.95Å; Q351-T353 PolarHBondContact O-N 3.48Å; T353-M383 VanDerWaalsContact O-CE 3.22Å; T353-M383 WeakPolarHBondContact O-CE 3.32Å; T353-E384 WeakPolarHBondContact CB-OE2 3.44Å; T353-E384 HydrophobicContact CG2-CB 3.94Å; T353-E384 HydrophobicContact CG2-CG 4.4Å; T353-E384 WeakPolarHBondContact CG2-OE2 3.25Å; T353-E384 PolarHBondContact OG1-OE2 2.85Å
354A81.6Confident89.8Confident0 Ų056.7 Ų56.70%027%0.273CS..Hα-helixtrans-96-17.7-178.100000115.9N330 V332 S350 K356 L357 F358 L376N330-A354 VanDerWaalsContact O-CB 3.32Å; N330-A354 WeakPolarHBondContact O-CB 3.48Å; V332-A354 HydrophobicContact CG2-CB 3.86Å; S350-A354 PolarHBondContact O-N 3.25Å; A354-K356 PolarHBondContact O-N 2.64Å; A354-L357 HydrophobicContact CB-CD1 4.48Å; A354-L357 WeakPolarHBondContact O-CB 3.5Å; A354-L357 PolarHBondContact O-N 3.04Å; A354-F358 HydrophobicContact CB-CE2 4.32Å; A354-L376 HydrophobicContact CB-CD2 4.47Å
355R86.3Confident90.1Very high178 Ų17852.9 Ų52.967%0.67225%0.253SS*.G310 helixtrans-49.4-31.2-173178176.7-177.2-168.82.2115.8Q351 L357 F358Q351-R355 WeakPolarHBondContact O-CB 3.46Å; Q351-R355 PolarHBondContact O-N 3.32Å; R355-L357 PolarHBondContact O-N 3.19Å; R355-F358 PolarHBondContact O-N 3.38Å
356K88.5Confident90.3Very high81 Ų8152.1 Ų52.135%0.35225%0.249SC..G310 helixtrans-57.1-35179.1-165.1-172.3-175.8-159.20112.2A354 F358 H363 V378 D379A354-K356 PolarHBondContact O-N 2.64Å; K356-F358 PolarHBondContact O-N 3.48Å; K356-F358 VanDerWaalsContact O-N 3.16Å; K356-H363 PolarHBondContact O-CE1 2.92Å; K356-H363 PolarHBondContact O-NE2 3.5Å; K356-H363 VanDerWaalsContact O-NE2 3.14Å; K356-V378 HydrophobicContact CB-CG1 4.3Å; K356-V378 HydrophobicContact CD-CG1 4.04Å; K356-D379 WeakPolarHBondContact CE-OD2 2.98Å; K356-D379 IonicContact NZ-OD2 3.33Å; K356-D379 PolarHBondContact NZ-OD2 2.94Å
357L92.4Very high90.5Very high6 Ų649.1 Ų49.13%0.03123%0.231CC..G310 helixtrans-64.5-17.5-177.9-68.8166000114.5Y298 V332 A354 R355 H363 L365 V378Y298-L357 PolarHBondContact OH-O 2.89Å; V332-L357 HydrophobicContact CG2-CD1 3.39Å; A354-L357 HydrophobicContact CB-CD1 4.48Å; A354-L357 WeakPolarHBondContact O-CB 3.5Å; A354-L357 PolarHBondContact O-N 3.04Å; R355-L357 PolarHBondContact O-N 3.19Å; L357-H363 HydrophobicContact CD2-CB 3.74Å; L357-L365 HydrophobicContact CD1-CD1 3.93Å; L357-L365 HydrophobicContact CD2-CB 4.13Å; L357-V378 HydrophobicContact CD1-CG2 3.88Å; L357-V378 HydrophobicContact CD2-CB 4.48Å; L357-V378 HydrophobicContact CD2-CG1 3.64Å; L357-V378 HydrophobicContact CD2-CG2 4.05Å; L357-V378 HydrophobicContact CG-CG1 3.87Å; L357-V378 HydrophobicContact CG-CG2 3.87Å
358F93.6Very high90.6Very high20 Ų2049.8 Ų49.89%0.08823%0.234CC..G310 helixtrans-105.518.4-169.1-60.3-89.8000113.1Y298 L325 D326 N330 A354 R355 K356Y298-F358 HydrophobicContact CE2-CD1 4.07Å; Y298-F358 WeakPolarHBondContact OH-CD1 3.15Å; Y298-F358 WeakPolarHBondContact OH-CE1 3.45Å; L325-F358 HydrophobicContact CB-CE1 4.36Å; L325-F358 HydrophobicContact CB-CZ 4.43Å; D326-F358 WeakPolarHBondContact O-CE1 3.28Å; D326-F358 WeakPolarHBondContact O-CZ 3.49Å; N330-F358 VanDerWaalsContact C-CE2 3.45Å; N330-F358 HydrophobicContact CB-CD2 3.91Å; N330-F358 HydrophobicContact CB-CE2 4.1Å; N330-F358 HydrophobicContact CB-CG 4.4Å; N330-F358 WeakPolarHBondContact OD1-CB 3.26Å; A354-F358 HydrophobicContact CB-CE2 4.32Å; R355-F358 PolarHBondContact O-N 3.38Å; K356-F358 PolarHBondContact O-N 3.48Å; K356-F358 VanDerWaalsContact O-N 3.16Å
359D92.3Very high90.6Very high64 Ų6447 Ų4734%0.34222%0.217SC..SBendtrans-92.711.8-175.189.7-2.7000115.4K361 H363D359-K361 VanDerWaalsContact C-N 3.27Å; D359-K361 PolarHBondContact O-N 2.94Å; D359-K361 WeakPolarHBondContact OD1-CB 3.33Å; D359-K361 WeakPolarHBondContact OD1-CG 3.42Å; D359-K361 PolarHBondContact OD1-N 3.28Å; D359-K361 IonicContact OD1-NZ 3.02Å; D359-K361 IonicContact OD2-NZ 2.73Å; D359-K361 PolarHBondContact OD2-NZ 3.4Å; D359-H363 IonicContact OD1-CE1 2.61Å; D359-H363 IonicContact OD1-NE2 2.75Å; D359-H363 PolarHBondContact OD1-NE2 2.95Å
360E94.3Very high90.6Very high82 Ų8248.5 Ų48.538%0.38323%0.226SC..SBendtrans676.2-175.7-56.3-160.2157.200117.1Y298 K299 G300Y298-E360 WeakPolarHBondContact O-CA 3.21Å; K299-E360 HydrophobicContact CB-CG 4.41Å; K299-E360 HydrophobicContact CD-CB 4.49Å; K299-E360 WeakPolarHBondContact CE-O 3.39Å; K299-E360 HydrophobicContact CG-CB 4.09Å; K299-E360 HydrophobicContact CG-CG 4.42Å; G300-E360 PolarHBondContact N-OE1 3.14Å
361K94.1Very high90.7Very high128 Ų12849.2 Ų49.256%0.55722%0.224SC*.SBendtrans-89.4-177.5174.5-57.7-173-161.792.10112.7R297 D359R297-K361 WeakPolarHBondContact CG-O 3.45Å; D359-K361 VanDerWaalsContact C-N 3.27Å; D359-K361 PolarHBondContact O-N 2.94Å; D359-K361 WeakPolarHBondContact OD1-CB 3.33Å; D359-K361 WeakPolarHBondContact OD1-CG 3.42Å; D359-K361 PolarHBondContact OD1-N 3.28Å; D359-K361 IonicContact OD1-NZ 3.02Å; D359-K361 IonicContact OD2-NZ 2.73Å; D359-K361 PolarHBondContact OD2-NZ 3.4Å
362W95.8Very high91.6Very high22 Ų2251.7 Ų51.78%0.08324%0.236CC..  trans-78.1129170.5-79.8105.3000109.7A262 T295 L296 R297 E415 Q417 I436A262-W362 HydrophobicContact CB-CH2 3.52Å; A262-W362 HydrophobicContact CB-CZ2 3.84Å; T295-W362 HydrophobicContact CG2-CE3 4.24Å; L296-W362 VanDerWaalsContact C-CE3 3.42Å; R297-W362 HydrophobicContact CB-CD2 3.7Å; R297-W362 HydrophobicContact CB-CE3 3.88Å; R297-W362 HydrophobicContact CB-CG 4.14Å; R297-W362 HydrophobicContact CB-CH2 4.31Å; R297-W362 HydrophobicContact CB-CZ2 4.18Å; R297-W362 HydrophobicContact CB-CZ3 4.2Å; W362-E415 HydrophobicContact CH2-CB 3.89Å; W362-E415 HydrophobicContact CZ2-CB 4.16Å; W362-E415 WeakPolarHBondContact CZ2-OE2 3.01Å; W362-Q417 HydrophobicContact CH2-CB 4.15Å; W362-Q417 HydrophobicContact CZ3-CB 3.81Å; W362-I436 HydrophobicContact CB-CG2 4.36Å
363H96.1Very high92.6Very high9 Ų945.2 Ų45.24%0.04221%0.207CC..EExtended strand (participates in β ladder)trans-132.9151.7173.9-67.3-70000111.9T295 L296 K356 L357 D359 D379 I436T295-H363 WeakPolarHBondContact CA-O 3.39Å; L296-H363 PolarHBondContact N-O 3.1Å; L296-H363 PolarHBondContact O-N 3.14Å; K356-H363 PolarHBondContact O-CE1 2.92Å; K356-H363 PolarHBondContact O-NE2 3.5Å; K356-H363 VanDerWaalsContact O-NE2 3.14Å; L357-H363 HydrophobicContact CD2-CB 3.74Å; D359-H363 IonicContact OD1-CE1 2.61Å; D359-H363 IonicContact OD1-NE2 2.75Å; D359-H363 PolarHBondContact OD1-NE2 2.95Å; H363-D379 VanDerWaalsContact CA-OD1 3.23Å; H363-D379 WeakPolarHBondContact CA-OD1 3.35Å; H363-D379 IonicContact CE1-OD2 2.62Å; H363-D379 IonicContact CG-OD1 3.48Å; H363-D379 IonicContact CG-OD2 2.96Å; H363-D379 IonicContact ND1-OD1 3.92Å; H363-D379 PolarHBondContact ND1-OD1 3.48Å; H363-D379 IonicContact ND1-OD2 2.7Å; H363-D379 PolarHBondContact ND1-OD2 3.34Å; H363-I436 VanDerWaalsContact C-CD1 3.43Å
364Q96.9Very high93.7Very high1 Ų144.2 Ų44.21%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-101.4114.6163.2-169.2-174.7109.700108.7V293 A294 V378 D379 T432 A433 E435 I436V293-Q364 HydrophobicContact CG1-CG 3.92Å; A294-Q364 CarbonylContact O-C 3.53Å; A294-Q364 WeakPolarHBondContact O-CA 3.28Å; Q364-V378 WeakPolarHBondContact O-CA 3.4Å; Q364-D379 PolarHBondContact N-OD1 2.81Å; Q364-D379 PolarHBondContact O-N 3.01Å; Q364-T432 PolarHBondContact NE2-O 3.49Å; Q364-A433 HydrophobicContact CB-CB 3.75Å; Q364-A433 HydrophobicContact CG-CB 4.43Å; Q364-E435 PolarHBondContact NE2-OE1 3.18Å; Q364-I436 HydrophobicContact CB-CD1 3.97Å
365L96.8Very high94.5Very high0 Ų044.5 Ų44.50%020%0.203CC..EExtended strand (participates in β ladder)trans-91.7128.5165.8179.5158.1000108.1F292 A294 V323 L325 V332 L357 L367 L376F292-L365 HydrophobicContact CD1-CD2 3.99Å; F292-L365 HydrophobicContact CE1-CD2 3.92Å; A294-L365 PolarHBondContact N-O 3.5Å; A294-L365 PolarHBondContact O-N 3.05Å; V323-L365 HydrophobicContact CG1-CD2 4.34Å; L325-L365 HydrophobicContact CD2-CD1 3.77Å; V332-L365 HydrophobicContact CG1-CD1 4.09Å; V332-L365 HydrophobicContact CG2-CD1 4.04Å; L357-L365 HydrophobicContact CD1-CD1 3.93Å; L357-L365 HydrophobicContact CD2-CB 4.13Å; L365-L367 HydrophobicContact CD2-CD1 4.47Å; L365-L367 HydrophobicContact CD2-CD2 4.49Å; L365-L367 HydrophobicContact CD2-CG 3.98Å; L365-L376 HydrophobicContact CG-CD1 4.1Å
366R97.3Very high95Very high10 Ų1036 Ų364%0.03817%0.171CC..EExtended strand (participates in β ladder)trans-131.4133.9173.9170.8167.983.7-128.212.6110.4V291 F292 V293 Y377 D380 N428 E431V291-R366 HydrophobicContact CG1-CG 3.68Å; F292-R366 CarbonylContact O-C 3.48Å; F292-R366 VanDerWaalsContact O-CA 3.26Å; F292-R366 WeakPolarHBondContact O-CA 3.27Å; V293-R366 HydrophobicContact CG2-CB 4.37Å; V293-R366 HydrophobicContact CG2-CG 4Å; R366-Y377 HydrophobicContact CG-CD2 4.49Å; R366-Y377 PolarHBondContact N-O 2.87Å; R366-Y377 PolarHBondContact O-N 2.84Å; R366-D380 IonicContact CZ-OD1 3.85Å; R366-D380 IonicContact NH1-OD1 2.68Å; R366-D380 PolarHBondContact NH1-OD1 3.34Å; R366-D380 IonicContact NH2-OD1 2.73Å; R366-D380 PolarHBondContact NH2-OD1 2.91Å; R366-N428 WeakPolarHBondContact CD-OD1 3.19Å; R366-N428 PolarHBondContact NE-O 3.15Å; R366-N428 PolarHBondContact NE-OD1 3.11Å; R366-N428 PolarHBondContact NH2-O 3.08Å; R366-E431 PolarHBondContact NH1-O 3.34Å
367L98Very high95.4Very high0 Ų033.4 Ų33.40%016%0.159CC..EExtended strand (participates in β ladder)trans-117.3118.3172.4-57.8173.3000108.3V291 F292 V323 F334 F349 L365 V369 V374 T375 L376V291-L367 CarbonylContact C-O 3.51Å; V291-L367 WeakPolarHBondContact CA-O 3.31Å; F292-L367 HydrophobicContact CB-CB 4.26Å; F292-L367 HydrophobicContact CD1-CD1 4.47Å; F292-L367 PolarHBondContact N-O 2.98Å; F292-L367 PolarHBondContact O-N 2.87Å; V323-L367 HydrophobicContact CG1-CD1 4.25Å; V323-L367 HydrophobicContact CG2-CD1 3.77Å; F334-L367 HydrophobicContact CB-CD1 4.23Å; F334-L367 HydrophobicContact CD2-CD1 3.95Å; F334-L367 HydrophobicContact CG-CD1 4.33Å; F349-L367 HydrophobicContact CE2-CD2 3.9Å; F349-L367 HydrophobicContact CZ-CD2 4.36Å; L365-L367 HydrophobicContact CD2-CD1 4.47Å; L365-L367 HydrophobicContact CD2-CD2 4.49Å; L365-L367 HydrophobicContact CD2-CG 3.98Å; L367-V369 HydrophobicContact CB-CG2 4.48Å; L367-V374 HydrophobicContact CB-CG1 4.17Å; L367-V374 HydrophobicContact CD2-CG1 4.27Å; L367-T375 WeakPolarHBondContact CA-O 3.25Å; L367-L376 HydrophobicContact CD2-CB 4.07Å; L367-L376 HydrophobicContact CD2-CD1 3.67Å; L367-L376 HydrophobicContact CD2-CG 4.47Å
368L97.8Very high95.5Very high29 Ų2933.1 Ų33.115%0.15216%0.158CC..EExtended strand (participates in β ladder)trans-84.7116.4161.5171.663.4000107V291 T370 V374 T375 Y377 P425 N428V291-L368 HydrophobicContact CG2-CD1 4.1Å; L368-T370 HydrophobicContact CD1-CG2 4.49Å; L368-T370 HydrophobicContact CG-CG2 4.22Å; L368-V374 CarbonylContact O-C 3.54Å; L368-V374 WeakPolarHBondContact O-CA 3.34Å; L368-T375 PolarHBondContact N-O 2.83Å; L368-T375 PolarHBondContact O-N 2.86Å; L368-Y377 HydrophobicContact CB-CE2 4.24Å; L368-P425 HydrophobicContact CD1-CB 3.9Å; L368-N428 HydrophobicContact CB-CB 4.33Å; L368-N428 HydrophobicContact CD1-CB 4.18Å; L368-N428 HydrophobicContact CD2-CB 4.41Å
369V96.8Very high95.5Very high4 Ų432.4 Ų32.42%0.02416%0.155CC..EExtended strand (participates in β ladder)trans-103.5130.5175.3178.80000108.2S289 Y290 F334 L367 V374 L388S289-V369 CarbonylContact C-O 3.57Å; S289-V369 WeakPolarHBondContact CA-O 3.38Å; S289-V369 WeakPolarHBondContact CB-O 3.31Å; Y290-V369 HydrophobicContact CD1-CB 4.45Å; Y290-V369 HydrophobicContact CD2-CB 4.22Å; Y290-V369 HydrophobicContact CD2-CG2 4.33Å; Y290-V369 HydrophobicContact CE1-CB 4.08Å; Y290-V369 HydrophobicContact CE1-CG1 3.88Å; Y290-V369 HydrophobicContact CE2-CB 3.82Å; Y290-V369 HydrophobicContact CE2-CG1 4.36Å; Y290-V369 HydrophobicContact CE2-CG2 3.64Å; Y290-V369 PolarHBondContact N-O 3.07Å; Y290-V369 PolarHBondContact O-N 3.23Å; F334-V369 HydrophobicContact CE1-CG1 4.37Å; F334-V369 HydrophobicContact CE1-CG2 4.19Å; F334-V369 HydrophobicContact CE2-CG2 4.27Å; F334-V369 HydrophobicContact CZ-CG1 4.36Å; F334-V369 HydrophobicContact CZ-CG2 3.92Å; L367-V369 HydrophobicContact CB-CG2 4.48Å; V369-V374 HydrophobicContact CB-CG2 4.47Å; V369-V374 HydrophobicContact CG1-CG2 4.21Å; V369-V374 HydrophobicContact CG2-CG1 3.98Å; V369-V374 HydrophobicContact CG2-CG2 4.15Å; V369-L388 HydrophobicContact CG1-CD2 4.15Å
370T94.9Very high95.4Very high31 Ų3131.6 Ų31.619%0.1915%0.15CC..  trans-122.5-179.2172.277.40000109.9L368 E372 D373 L388L368-T370 HydrophobicContact CD1-CG2 4.49Å; L368-T370 HydrophobicContact CG-CG2 4.22Å; T370-E372 VanDerWaalsContact C-N 3.26Å; T370-E372 PolarHBondContact O-N 3.44Å; T370-E372 PolarHBondContact OG1-N 2.71Å; T370-D373 WeakPolarHBondContact CG2-OD1 3.41Å; T370-D373 PolarHBondContact N-O 3.2Å; T370-D373 PolarHBondContact OG1-N 2.91Å; T370-D373 PolarHBondContact OG1-O 2.85Å; T370-D373 PolarHBondContact OG1-OD1 2.87Å; T370-L388 WeakPolarHBondContact O-CD2 3.4Å
371E89.4Confident95.3Very high59 Ų5932.5 Ų32.528%0.27616%0.157SC..SBendtrans-73-16.9173.5-69.8-164.8154.600114.2R215 P288R215-E371 IonicContact CZ-OE1 2.76Å; R215-E371 IonicContact CZ-OE2 2.66Å; R215-E371 IonicContact NH1-OE1 3.48Å; R215-E371 PolarHBondContact NH1-OE1 2.89Å; R215-E371 IonicContact NH1-OE2 3.4Å; R215-E371 PolarHBondContact NH1-OE2 2.91Å; R215-E371 IonicContact NH2-OE1 3.5Å; R215-E371 PolarHBondContact NH2-OE1 3.18Å; R215-E371 IonicContact NH2-OE2 2.82Å; R215-E371 PolarHBondContact NH2-OE2 3.15Å; P288-E371 HydrophobicContact CB-CG 3.73Å; P288-E371 WeakPolarHBondContact CB-OE1 3.44Å
372E92.6Very high95.2Very high155 Ų15531.9 Ų31.972%0.72416%0.156SC*.SBendtrans-118-20-172.1-62-176.1-175.300113.1T370 P387 L388T370-E372 VanDerWaalsContact C-N 3.26Å; T370-E372 PolarHBondContact O-N 3.44Å; T370-E372 PolarHBondContact OG1-N 2.71Å; E372-P387 WeakPolarHBondContact O-CA 3.46Å; E372-L388 CarbonylContact C-O 3.58Å; E372-L388 PolarHBondContact O-N 3.45Å
373D95.7Very high95.1Very high49 Ų4933.7 Ų33.726%0.26217%0.166SC..EExtended strand (participates in β ladder)trans-154168.7-177.565.629000114.2T370 T385 Q386T370-D373 WeakPolarHBondContact CG2-OD1 3.41Å; T370-D373 PolarHBondContact N-O 3.2Å; T370-D373 PolarHBondContact OG1-N 2.91Å; T370-D373 PolarHBondContact OG1-O 2.85Å; T370-D373 PolarHBondContact OG1-OD1 2.87Å; D373-T385 HydrophobicContact CB-CG2 3.82Å; D373-Q386 CarbonylContact C-O 3.59Å; D373-Q386 VanDerWaalsContact CA-O 3.26Å; D373-Q386 WeakPolarHBondContact CA-O 3.36Å; D373-Q386 WeakPolarHBondContact CB-O 3.23Å
374V97.1Very high95Very high0 Ų035 Ų350%017%0.173CC..EExtended strand (participates in β ladder)trans-130.2129.4164.5-173.90000109.1F334 F349 L367 L368 V369 T385 Q386 L388F334-V374 HydrophobicContact CD1-CG1 4.35Å; F334-V374 HydrophobicContact CD1-CG2 3.71Å; F334-V374 HydrophobicContact CE1-CG2 3.87Å; F349-V374 HydrophobicContact CE2-CG1 4.38Å; F349-V374 HydrophobicContact CZ-CB 4.09Å; F349-V374 HydrophobicContact CZ-CG1 3.85Å; L367-V374 HydrophobicContact CB-CG1 4.17Å; L367-V374 HydrophobicContact CD2-CG1 4.27Å; L368-V374 CarbonylContact O-C 3.54Å; L368-V374 WeakPolarHBondContact O-CA 3.34Å; V369-V374 HydrophobicContact CB-CG2 4.47Å; V369-V374 HydrophobicContact CG1-CG2 4.21Å; V369-V374 HydrophobicContact CG2-CG1 3.98Å; V369-V374 HydrophobicContact CG2-CG2 4.15Å; V374-T385 WeakPolarHBondContact O-CA 3.45Å; V374-Q386 PolarHBondContact N-O 3.38Å; V374-Q386 PolarHBondContact O-N 3.01Å; V374-L388 HydrophobicContact CG2-CB 4.25Å; V374-L388 HydrophobicContact CG2-CD1 3.95Å; V374-L388 HydrophobicContact CG2-CD2 3.83Å; V374-L388 HydrophobicContact CG2-CG 4.23Å
375T97.3Very high95Very high6 Ų638 Ų384%0.03719%0.191CC..EExtended strand (participates in β ladder)trans-111.2123.3178-60.40000111.2L367 L368 Y377 Q382 E384 T385L367-T375 WeakPolarHBondContact CA-O 3.25Å; L368-T375 PolarHBondContact N-O 2.83Å; L368-T375 PolarHBondContact O-N 2.86Å; T375-Y377 HydrophobicContact CG2-CD2 4Å; T375-Y377 HydrophobicContact CG2-CE2 3.35Å; T375-Q382 HydrophobicContact CG2-CG 3.61Å; T375-E384 CarbonylContact C-O 3.47Å; T375-E384 WeakPolarHBondContact CA-O 3.33Å; T375-T385 WeakPolarHBondContact CG2-OG1 3.18Å; T375-T385 WeakPolarHBondContact OG1-CB 3.42Å; T375-T385 VanDerWaalsContact OG1-CG2 3.27Å; T375-T385 WeakPolarHBondContact OG1-CG2 3.49Å; T375-T385 PolarHBondContact OG1-OG1 3.13Å
376L97.4Very high94.9Very high0 Ų040.8 Ų40.80%020%0.204CC..EExtended strand (participates in β ladder)trans-87129.1174174.264.7000111.3V332 F349 A354 L365 L367 V378 M383 E384V332-L376 HydrophobicContact CB-CD2 4.26Å; V332-L376 HydrophobicContact CG2-CD2 4.2Å; F349-L376 HydrophobicContact CB-CD2 3.62Å; F349-L376 HydrophobicContact CD1-CB 3.77Å; F349-L376 HydrophobicContact CD1-CD2 4.29Å; F349-L376 HydrophobicContact CD2-CB 4.09Å; F349-L376 HydrophobicContact CD2-CD2 4.1Å; F349-L376 HydrophobicContact CE1-CB 3.83Å; F349-L376 HydrophobicContact CE2-CB 4.17Å; F349-L376 HydrophobicContact CG-CB 3.89Å; F349-L376 HydrophobicContact CG-CD2 3.74Å; F349-L376 HydrophobicContact CG-CG 4.43Å; F349-L376 HydrophobicContact CZ-CB 4.03Å; A354-L376 HydrophobicContact CB-CD2 4.47Å; L365-L376 HydrophobicContact CG-CD1 4.1Å; L367-L376 HydrophobicContact CD2-CB 4.07Å; L367-L376 HydrophobicContact CD2-CD1 3.67Å; L367-L376 HydrophobicContact CD2-CG 4.47Å; L376-V378 HydrophobicContact CD1-CG2 4.14Å; L376-V378 HydrophobicContact CD2-CG2 4.42Å; L376-V378 HydrophobicContact CG-CG2 4.2Å; L376-M383 HydrophobicContact CD2-CB 4.46Å; L376-M383 HydrophobicContact CG-CB 4.38Å; L376-M383 PolarHBondContact O-N 2.72Å; L376-E384 PolarHBondContact N-O 2.99Å
377Y96.1Very high94.8Very high27 Ų2745 Ų4511%0.10623%0.233CC..EExtended strand (participates in β ladder)trans-117.1139.2168.5-64.4-101.3000110R366 L368 T375 L381 Q382 N428R366-Y377 HydrophobicContact CG-CD2 4.49Å; R366-Y377 PolarHBondContact N-O 2.87Å; R366-Y377 PolarHBondContact O-N 2.84Å; L368-Y377 HydrophobicContact CB-CE2 4.24Å; T375-Y377 HydrophobicContact CG2-CD2 4Å; T375-Y377 HydrophobicContact CG2-CE2 3.35Å; Y377-L381 CarbonylContact C-O 3.49Å; Y377-L381 WeakPolarHBondContact CA-O 3.31Å; Y377-Q382 HydrophobicContact CD1-CB 3.8Å; Y377-Q382 HydrophobicContact CD1-CG 4.35Å; Y377-Q382 HydrophobicContact CE1-CB 3.45Å; Y377-Q382 VanDerWaalsContact CE1-CB 3.45Å; Y377-Q382 HydrophobicContact CE1-CG 3.81Å; Y377-Q382 PolarHBondContact OH-OE1 3.26Å; Y377-Q382 VanDerWaalsContact OH-OE1 3.14Å; Y377-N428 WeakPolarHBondContact CD2-OD1 3.31Å; Y377-N428 WeakPolarHBondContact CE2-ND2 3.37Å; Y377-N428 VanDerWaalsContact CE2-OD1 3.24Å; Y377-N428 WeakPolarHBondContact CE2-OD1 3.48Å; Y377-N428 VanDerWaalsContact CZ-ND2 3.29Å; Y377-N428 PolarHBondContact OH-ND2 3.21Å; Y377-N428 VanDerWaalsContact OH-ND2 3.14Å
378V95Very high94.6Very high0 Ų045.7 Ų45.70%024%0.236CC..EExtended strand (participates in β ladder)trans-130.3114.3173.8-178.30000109.3K356 L357 Q364 L376 L381 M383K356-V378 HydrophobicContact CB-CG1 4.3Å; K356-V378 HydrophobicContact CD-CG1 4.04Å; L357-V378 HydrophobicContact CD1-CG2 3.88Å; L357-V378 HydrophobicContact CD2-CB 4.48Å; L357-V378 HydrophobicContact CD2-CG1 3.64Å; L357-V378 HydrophobicContact CD2-CG2 4.05Å; L357-V378 HydrophobicContact CG-CG1 3.87Å; L357-V378 HydrophobicContact CG-CG2 3.87Å; Q364-V378 WeakPolarHBondContact O-CA 3.4Å; L376-V378 HydrophobicContact CD1-CG2 4.14Å; L376-V378 HydrophobicContact CD2-CG2 4.42Å; L376-V378 HydrophobicContact CG-CG2 4.2Å; V378-L381 PolarHBondContact N-O 3.06Å; V378-L381 WeakPolarHBondContact O-CB 3.46Å; V378-L381 PolarHBondContact O-N 3Å; V378-M383 HydrophobicContact CB-CG 3.94Å; V378-M383 HydrophobicContact CB-SD 4.41Å; V378-M383 HydrophobicContact CG2-CG 3.81Å
379D93.9Very high94.3Very high5 Ų549.3 Ų49.33%0.02725%0.252CS..THydrogen-bonded Turntrans51.157.3-175-46.7-39.1000112.4K356 H363 Q364 L381 A433 V439K356-D379 WeakPolarHBondContact CE-OD2 2.98Å; K356-D379 IonicContact NZ-OD2 3.33Å; K356-D379 PolarHBondContact NZ-OD2 2.94Å; H363-D379 VanDerWaalsContact CA-OD1 3.23Å; H363-D379 WeakPolarHBondContact CA-OD1 3.35Å; H363-D379 IonicContact CE1-OD2 2.62Å; H363-D379 IonicContact CG-OD1 3.48Å; H363-D379 IonicContact CG-OD2 2.96Å; H363-D379 IonicContact ND1-OD1 3.92Å; H363-D379 PolarHBondContact ND1-OD1 3.48Å; H363-D379 IonicContact ND1-OD2 2.7Å; H363-D379 PolarHBondContact ND1-OD2 3.34Å; Q364-D379 PolarHBondContact N-OD1 2.81Å; Q364-D379 PolarHBondContact O-N 3.01Å; D379-L381 PolarHBondContact O-N 2.85Å; D379-A433 HydrophobicContact CB-CB 4.46Å; D379-V439 HydrophobicContact CB-CG1 3.89Å; D379-V439 HydrophobicContact CB-CG2 3.87Å; D379-V439 WeakPolarHBondContact O-CG1 3.46Å
380D90.9Very high93.7Very high47 Ų4752.2 Ų52.225%0.25127%0.271SS..THydrogen-bonded Turntrans60.6-5.5-173.6-69.9-32.5000117.4R366 T432 A433R366-D380 IonicContact CZ-OD1 3.85Å; R366-D380 IonicContact NH1-OD1 2.68Å; R366-D380 PolarHBondContact NH1-OD1 3.34Å; R366-D380 IonicContact NH2-OD1 2.73Å; R366-D380 PolarHBondContact NH2-OD1 2.91Å; D380-T432 WeakPolarHBondContact OD1-CA 3.48Å; D380-T432 VanDerWaalsContact OD2-CA 3.31Å; D380-T432 WeakPolarHBondContact OD2-CA 3.34Å; D380-T432 WeakPolarHBondContact OD2-CB 3.45Å; D380-A433 VanDerWaalsContact CG-N 3.34Å; D380-A433 PolarHBondContact OD1-N 3.26Å; D380-A433 PolarHBondContact OD2-N 2.86Å
381L91.2Very high93.1Very high101 Ų10153.6 Ų53.653%0.52928%0.282SS..EExtended strand (participates in β ladder)trans-82.6122.3174.2-58.5176.8000110.3Y377 V378 D379 M383Y377-L381 CarbonylContact C-O 3.49Å; Y377-L381 WeakPolarHBondContact CA-O 3.31Å; V378-L381 PolarHBondContact N-O 3.06Å; V378-L381 WeakPolarHBondContact O-CB 3.46Å; V378-L381 PolarHBondContact O-N 3Å; D379-L381 PolarHBondContact O-N 2.85Å; L381-M383 HydrophobicContact CB-SD 3.8Å; L381-M383 WeakPolarHBondContact O-CG 3.3Å; L381-M383 PolarHBondContact O-N 3.41Å
382Q92.9Very high92.6Very high114 Ų11453.3 Ų53.353%0.53328%0.284SS..EExtended strand (participates in β ladder)trans-67.2119.5168.4-170.5169.3-19.900109T375 Y377 T385T375-Q382 HydrophobicContact CG2-CG 3.61Å; Y377-Q382 HydrophobicContact CD1-CB 3.8Å; Y377-Q382 HydrophobicContact CD1-CG 4.35Å; Y377-Q382 HydrophobicContact CE1-CB 3.45Å; Y377-Q382 VanDerWaalsContact CE1-CB 3.45Å; Y377-Q382 HydrophobicContact CE1-CG 3.81Å; Y377-Q382 PolarHBondContact OH-OE1 3.26Å; Y377-Q382 VanDerWaalsContact OH-OE1 3.14Å; Q382-T385 PolarHBondContact NE2-OG1 2.98Å
383M92.7Very high92.1Very high60 Ų6046.3 Ų46.330%0.29625%0.254SS..EExtended strand (participates in β ladder)trans-98.6-48.7-175-56.8-50.3-61.900111.8T353 L376 V378 L381T353-M383 VanDerWaalsContact O-CE 3.22Å; T353-M383 WeakPolarHBondContact O-CE 3.32Å; L376-M383 HydrophobicContact CD2-CB 4.46Å; L376-M383 HydrophobicContact CG-CB 4.38Å; L376-M383 PolarHBondContact O-N 2.72Å; V378-M383 HydrophobicContact CB-CG 3.94Å; V378-M383 HydrophobicContact CB-SD 4.41Å; V378-M383 HydrophobicContact CG2-CG 3.81Å; L381-M383 HydrophobicContact CB-SD 3.8Å; L381-M383 WeakPolarHBondContact O-CG 3.3Å; L381-M383 PolarHBondContact O-N 3.41Å
384E94Very high91.7Very high38 Ų3844.2 Ų44.218%0.17824%0.243CC..EExtended strand (participates in β ladder)trans-162.4143.1-170.7-167.5170.9-177.200111.2F349 S350 T353 T375 L376 Q386F349-E384 WeakPolarHBondContact CA-OE2 3.37Å; F349-E384 HydrophobicContact CD1-CB 3.88Å; F349-E384 HydrophobicContact CD1-CG 4.04Å; S350-E384 PolarHBondContact N-OE2 3.43Å; T353-E384 WeakPolarHBondContact CB-OE2 3.44Å; T353-E384 HydrophobicContact CG2-CB 3.94Å; T353-E384 HydrophobicContact CG2-CG 4.4Å; T353-E384 WeakPolarHBondContact CG2-OE2 3.25Å; T353-E384 PolarHBondContact OG1-OE2 2.85Å; T375-E384 CarbonylContact C-O 3.47Å; T375-E384 WeakPolarHBondContact CA-O 3.33Å; L376-E384 PolarHBondContact N-O 2.99Å; E384-Q386 HydrophobicContact CG-CG 4.26Å; E384-Q386 PolarHBondContact OE1-NE2 3.25Å
385T96.4Very high91.2Very high62 Ų6246 Ų4638%0.3825%0.251SS..EExtended strand (participates in β ladder)trans-118.2132171.3-590000108.3D373 V374 T375 Q382D373-T385 HydrophobicContact CB-CG2 3.82Å; V374-T385 WeakPolarHBondContact O-CA 3.45Å; T375-T385 WeakPolarHBondContact CG2-OG1 3.18Å; T375-T385 WeakPolarHBondContact OG1-CB 3.42Å; T375-T385 VanDerWaalsContact OG1-CG2 3.27Å; T375-T385 WeakPolarHBondContact OG1-CG2 3.49Å; T375-T385 PolarHBondContact OG1-OG1 3.13Å; Q382-T385 PolarHBondContact NE2-OG1 2.98Å
386Q95.9Very high90.4Very high59 Ų5946.4 Ų46.428%0.27625%0.252SS..EExtended strand (participates in β ladder)trans-128.4139.6-176.7-76.4-73.5-14.900109.5V347 F349 D373 V374 E384V347-Q386 HydrophobicContact CG1-CB 3.29Å; V347-Q386 HydrophobicContact CG1-CG 3.81Å; F349-Q386 HydrophobicContact CD1-CG 3.87Å; F349-Q386 HydrophobicContact CE1-CB 3.94Å; F349-Q386 HydrophobicContact CE1-CG 3.72Å; F349-Q386 HydrophobicContact CZ-CB 4.48Å; D373-Q386 CarbonylContact C-O 3.59Å; D373-Q386 VanDerWaalsContact CA-O 3.26Å; D373-Q386 WeakPolarHBondContact CA-O 3.36Å; D373-Q386 WeakPolarHBondContact CB-O 3.23Å; V374-Q386 PolarHBondContact N-O 3.38Å; V374-Q386 PolarHBondContact O-N 3.01Å; E384-Q386 HydrophobicContact CG-CG 4.26Å; E384-Q386 PolarHBondContact OE1-NE2 3.25Å
387P95.6Very high89.8Confident99 Ų9948.7 Ų48.764%0.64327%0.265SS*.EExtended strand (participates in β ladder)trans-67.1150.5-178.829.8-35.2000111.7E372E372-P387 WeakPolarHBondContact O-CA 3.46Å
388L93.4Very high89.3Confident15 Ų1548 Ų488%0.07927%0.265CS..  trans-132141.1178.9-165.575.9000109.3F334 T336 Q345 V347 V369 T370 E372 V374F334-L388 HydrophobicContact CD1-CD1 4.39Å; F334-L388 HydrophobicContact CE1-CD1 4.27Å; F334-L388 HydrophobicContact CE1-CD2 4.49Å; T336-L388 HydrophobicContact CG2-CD1 3.92Å; T336-L388 HydrophobicContact CG2-CD2 4.36Å; Q345-L388 HydrophobicContact CG-CD1 4.31Å; V347-L388 HydrophobicContact CG2-CD1 3.79Å; V369-L388 HydrophobicContact CG1-CD2 4.15Å; T370-L388 WeakPolarHBondContact O-CD2 3.4Å; E372-L388 CarbonylContact C-O 3.58Å; E372-L388 PolarHBondContact O-N 3.45Å; V374-L388 HydrophobicContact CG2-CB 4.25Å; V374-L388 HydrophobicContact CG2-CD1 3.95Å; V374-L388 HydrophobicContact CG2-CD2 3.83Å; V374-L388 HydrophobicContact CG2-CG 4.23Å
389E90.3Very high89.1Confident105 Ų10550.5 Ų50.549%0.49128%0.276SS..PPolyproline II helixtrans-79.6147.6167.6-60.3-175.7149.400110S338 Q345 S391S338-E389 WeakPolarHBondContact CB-OE2 3.46Å; S338-E389 PolarHBondContact OG-OE2 2.9Å; Q345-E389 PolarHBondContact NE2-O 3.36Å; E389-S391 PolarHBondContact O-N 3.03Å
390P84.6Confident89Confident65 Ų6550.4 Ų50.442%0.42228%0.275SS..PPolyproline II helixtrans-56.3127.6177.1-28.435.9000112.6N339N339-P390 PolarHBondContact N-O 3.45Å; N339-P390 VanDerWaalsContact N-O 3.08Å
391S83.7Confident89.1Confident60 Ų6048.2 Ų48.242%0.4226%0.264SS..PPolyproline II helixtrans-84.3147.5179.770.70000112.4T337 E389T337-S391 WeakPolarHBondContact O-CA 3.34Å; T337-S391 VanDerWaalsContact O-CB 3.23Å; T337-S391 WeakPolarHBondContact O-CB 3.24Å; E389-S391 PolarHBondContact O-N 3.03Å
392V77.2Confident89.3Confident52 Ų5243.4 Ų43.432%0.31524%0.239SC..  trans-97-15.6-172.2-169.50000112.5L32 S34 S338 N339L32-V392 HydrophobicContact CD2-CG1 4.33Å; S34-V392 PolarHBondContact OG-O 2.73Å; S338-V392 VanDerWaalsContact O-CG2 3.31Å; S338-V392 WeakPolarHBondContact O-CG2 3.48Å; N339-V392 VanDerWaalsContact CA-CG2 3.47Å
393G83.4Confident89.5Confident9 Ų938 Ų389%0.09321%0.213CC..  trans125.3-178.4-170.800000111.9R33 T337R33-G393 CarbonylContact O-C 3.58Å; R33-G393 VanDerWaalsContact O-CA 3.26Å; R33-G393 WeakPolarHBondContact O-CA 3.31Å; T337-G393 WeakPolarHBondContact CB-O 3.33Å; T337-G393 VanDerWaalsContact CG2-O 3.28Å; T337-G393 WeakPolarHBondContact CG2-O 3.43Å; T337-G393 PolarHBondContact OG1-O 3.38Å
394I86.5Confident89.7Confident4 Ų435.3 Ų35.32%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-121.7146.1179.952.9160.6000112R33 F282 F286 I312 Q320 M321 I396R33-I394 PolarHBondContact N-O 3.47Å; R33-I394 PolarHBondContact O-N 3.37Å; F282-I394 HydrophobicContact CB-CD1 4.42Å; F286-I394 HydrophobicContact CD2-CD1 4.18Å; F286-I394 HydrophobicContact CE2-CD1 3.81Å; I312-I394 HydrophobicContact CD1-CD1 3.65Å; Q320-I394 HydrophobicContact CB-CB 4.4Å; Q320-I394 HydrophobicContact CB-CG2 4.18Å; M321-I394 HydrophobicContact CG-CG2 3.69Å; M321-I394 HydrophobicContact SD-CG2 3.56Å; M321-I394 VanDerWaalsContact SD-CG2 3.56Å; I394-I396 HydrophobicContact CD1-CG2 3.87Å; I394-I396 HydrophobicContact CG1-CG2 4.05Å; I394-I396 PolarHBondContact O-N 3.28Å
395F85.9Confident89.7Confident39 Ų3935.1 Ų35.117%0.17120%0.198CC..EExtended strand (participates in β ladder)trans-79.9114.1166.7-66.7-72.4000110Q28 N31 L32 T314 Q320 N397Q28-F395 WeakPolarHBondContact O-CE1 3.49Å; N31-F395 HydrophobicContact CB-CD1 4.29Å; N31-F395 WeakPolarHBondContact O-CA 3.34Å; L32-F395 HydrophobicContact CB-CD1 4.15Å; L32-F395 HydrophobicContact CB-CE1 3.81Å; L32-F395 HydrophobicContact CB-CZ 4.48Å; L32-F395 HydrophobicContact CD1-CD1 4.46Å; L32-F395 HydrophobicContact CD1-CE1 4.24Å; L32-F395 HydrophobicContact CD1-CE2 4.47Å; L32-F395 HydrophobicContact CD1-CZ 4.24Å; T314-F395 HydrophobicContact CG2-CB 4.22Å; Q320-F395 VanDerWaalsContact OE1-CD2 3.3Å; F395-N397 VanDerWaalsContact C-N 3.29Å; F395-N397 PolarHBondContact O-N 3.04Å
396I81.7Confident89.5Confident13 Ų1334.3 Ų34.37%0.06719%0.193CC..  trans-86.98.4-175.663.5159.3000114N31 R33 T275 S276 I394 G398N31-I396 PolarHBondContact O-N 3.15Å; N31-I396 VanDerWaalsContact O-N 3.11Å; R33-I396 HydrophobicContact CB-CG2 3.83Å; R33-I396 HydrophobicContact CG-CB 4.25Å; R33-I396 HydrophobicContact CG-CD1 3.63Å; R33-I396 HydrophobicContact CG-CG1 3.64Å; R33-I396 HydrophobicContact CG-CG2 3.62Å; T275-I396 CarbonylContact C-O 3.16Å; T275-I396 WeakPolarHBondContact CB-O 3.26Å; T275-I396 HydrophobicContact CG2-CB 3.91Å; T275-I396 HydrophobicContact CG2-CG2 3.95Å; S276-I396 WeakPolarHBondContact CB-O 3.36Å; S276-I396 PolarHBondContact N-O 2.68Å; I394-I396 HydrophobicContact CD1-CG2 3.87Å; I394-I396 HydrophobicContact CG1-CG2 4.05Å; I394-I396 PolarHBondContact O-N 3.28Å; I396-G398 PolarHBondContact O-N 2.77Å
397N83.7Confident89.1Confident49 Ų4938.8 Ų38.826%0.26222%0.219SC..SBendtrans-73.8-2.9-171.668.9-9.4000115.2N31 T314 F395N31-N397 HydrophobicContact CB-CB 4.3Å; T314-N397 WeakPolarHBondContact CA-OD1 3.44Å; T314-N397 WeakPolarHBondContact CB-OD1 3.28Å; F395-N397 VanDerWaalsContact C-N 3.29Å; F395-N397 PolarHBondContact O-N 3.04Å
398G87.1Confident88.9Confident11 Ų1139.3 Ų39.311%0.11321%0.211CC..SBendtrans-115.5-122.2-179.300000114.4A274 T275 Q313 I396A274-G398 WeakPolarHBondContact CA-O 3.26Å; T275-G398 PolarHBondContact N-O 2.91Å; Q313-G398 CarbonylContact O-C 3.51Å; Q313-G398 VanDerWaalsContact O-CA 3.25Å; Q313-G398 WeakPolarHBondContact O-CA 3.16Å; I396-G398 PolarHBondContact O-N 2.77Å
399K89.8Confident88.7Confident54 Ų5443.2 Ų43.224%0.23523%0.229CC..EExtended strand (participates in β ladder)trans-139.3145.4-167.162-177-179.1175.60113E273 T275 I312 Q313 Q401 E409E273-K399 CarbonylContact O-C 3.59Å; E273-K399 VanDerWaalsContact O-CA 3.31Å; E273-K399 WeakPolarHBondContact O-CA 3.19Å; T275-K399 VanDerWaalsContact OG1-CA 3.26Å; T275-K399 WeakPolarHBondContact OG1-CA 3.32Å; T275-K399 PolarHBondContact OG1-N 3.22Å; I312-K399 WeakPolarHBondContact CA-O 3.37Å; Q313-K399 PolarHBondContact N-O 3.23Å; Q313-K399 PolarHBondContact O-N 3.18Å; K399-Q401 HydrophobicContact CD-CG 4.02Å; K399-Q401 VanDerWaalsContact CE-CD 3.46Å; K399-Q401 HydrophobicContact CG-CG 4.04Å; K399-E409 IonicContact NZ-OE1 2.68Å; K399-E409 PolarHBondContact NZ-OE1 2.79Å; K399-E409 IonicContact NZ-OE2 3.53Å; K399-E409 PolarHBondContact NZ-OE2 3.41Å
400T91.8Very high88.9Confident2 Ų241.6 Ų41.61%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-100.5134166.8-60.40000108S272 E273 T275 L281 F282 W310 R311 I312S272-T400 WeakPolarHBondContact CA-O 3.47Å; E273-T400 PolarHBondContact N-O 3.42Å; E273-T400 PolarHBondContact O-N 3.2Å; T275-T400 PolarHBondContact OG1-N 3.25Å; T275-T400 PolarHBondContact OG1-OG1 3.47Å; T275-T400 VanDerWaalsContact OG1-OG1 3.09Å; L281-T400 HydrophobicContact CD1-CG2 3.74Å; F282-T400 HydrophobicContact CE2-CG2 3.9Å; W310-T400 VanDerWaalsContact NE1-CG2 3.33Å; R311-T400 CarbonylContact O-C 3.29Å; R311-T400 WeakPolarHBondContact O-CA 3.45Å; I312-T400 HydrophobicContact CG1-CG2 4.41Å
401Q93.6Very high89.4Confident2 Ų238.7 Ų38.71%0.00921%0.207CC..EExtended strand (participates in β ladder)trans-135.4153.1-177.6-50.2-172.8-7800111.8L271 S272 W310 R311 Q313 K399 K404 E409L271-Q401 WeakPolarHBondContact O-CA 3.47Å; S272-Q401 PolarHBondContact OG-NE2 3.42Å; W310-Q401 WeakPolarHBondContact CA-O 3.36Å; R311-Q401 HydrophobicContact CG-CB 4.12Å; R311-Q401 PolarHBondContact N-O 2.93Å; R311-Q401 PolarHBondContact O-N 2.88Å; Q313-Q401 VanDerWaalsContact OE1-OE1 3.09Å; K399-Q401 HydrophobicContact CD-CG 4.02Å; K399-Q401 VanDerWaalsContact CE-CD 3.46Å; K399-Q401 HydrophobicContact CG-CG 4.04Å; Q401-K404 HydrophobicContact CB-CG 3.79Å; Q401-E409 PolarHBondContact NE2-OE2 2.92Å
402V95.9Very high90Very high0 Ų035.8 Ų35.80%019%0.187CC..EExtended strand (participates in β ladder)trans-125.8135.2177169.10000110.3I240 L244 L271 L309 F414 L419I240-V402 HydrophobicContact CG2-CG2 3.79Å; L244-V402 HydrophobicContact CD1-CB 4.17Å; L244-V402 HydrophobicContact CD1-CG2 3.54Å; L271-V402 HydrophobicContact CB-CB 3.97Å; L271-V402 HydrophobicContact CD1-CB 4.18Å; L271-V402 HydrophobicContact CD1-CG1 3.94Å; L271-V402 PolarHBondContact O-N 2.71Å; L271-V402 VanDerWaalsContact O-N 3.13Å; L309-V402 WeakPolarHBondContact O-CA 3.29Å; L309-V402 WeakPolarHBondContact O-CG1 3.24Å; V402-F414 HydrophobicContact CG1-CZ 3.97Å; V402-L419 HydrophobicContact CG1-CD2 3.96Å; V402-L419 HydrophobicContact CG2-CD2 3.65Å
403G96.3Very high90.9Very high0 Ų036.1 Ų36.10%019%0.19CC..EExtended strand (participates in β ladder)trans62.850.7173.900000114.6D308 L309 T411 V412D308-G403 CarbonylContact O-C 3.48Å; D308-G403 WeakPolarHBondContact O-CA 3.37Å; D308-G403 PolarHBondContact O-N 3.32Å; D308-G403 VanDerWaalsContact O-N 3.17Å; L309-G403 PolarHBondContact O-N 3.09Å; G403-T411 CarbonylContact O-C 3.57Å; G403-T411 VanDerWaalsContact O-CA 3.28Å; G403-T411 WeakPolarHBondContact O-CA 3.48Å; G403-T411 VanDerWaalsContact O-CG2 3.26Å; G403-T411 WeakPolarHBondContact O-CG2 3.28Å; G403-V412 PolarHBondContact O-N 2.87Å
404K96Very high91.5Very high4 Ų436.1 Ų36.12%0.01719%0.188CC..EExtended strand (participates in β ladder)trans-106144.2179.4-63.3-58.3-170.2175.30110.9D270 W307 D308 Q401 E409 T411D270-K404 WeakPolarHBondContact OD1-CE 3.37Å; D270-K404 IonicContact OD1-NZ 2.69Å; D270-K404 PolarHBondContact OD1-NZ 2.88Å; W307-K404 CarbonylContact C-O 3.55Å; W307-K404 WeakPolarHBondContact CA-O 3.35Å; W307-K404 WeakPolarHBondContact CB-O 3.35Å; D308-K404 PolarHBondContact N-O 2.8Å; D308-K404 PolarHBondContact O-N 3.29Å; Q401-K404 HydrophobicContact CB-CG 3.79Å; K404-E409 WeakPolarHBondContact CD-O 3.45Å; K404-E409 WeakPolarHBondContact CE-O 3.41Å; K404-E409 PolarHBondContact NZ-O 3.45Å; K404-T411 PolarHBondContact NZ-OG1 3.14Å
405Y94.9Very high92Very high33 Ų3337.7 Ų37.713%0.12920%0.195CC..EExtended strand (participates in β ladder)trans-64.8142.9165.9-70.2-85000109.3E305 W307 R311 N407 K408 T410 V412E305-Y405 HydrophobicContact CB-CE1 4.04Å; E305-Y405 HydrophobicContact CG-CE1 4.16Å; W307-Y405 HydrophobicContact CB-CD1 4.46Å; R311-Y405 PolarHBondContact NH1-O 3.23Å; R311-Y405 VanDerWaalsContact NH1-O 3.15Å; Y405-N407 VanDerWaalsContact C-N 3.26Å; Y405-N407 PolarHBondContact O-N 2.88Å; Y405-K408 PolarHBondContact O-N 3.02Å; Y405-K408 VanDerWaalsContact O-N 3.15Å; Y405-T410 WeakPolarHBondContact CD2-O 3.05Å; Y405-T410 WeakPolarHBondContact CD2-OG1 3.45Å; Y405-T410 PolarHBondContact N-O 2.98Å; Y405-V412 HydrophobicContact CD1-CG2 4.13Å; Y405-V412 HydrophobicContact CD2-CG2 3.7Å; Y405-V412 HydrophobicContact CE1-CG2 4.13Å; Y405-V412 HydrophobicContact CE2-CB 4.42Å; Y405-V412 HydrophobicContact CE2-CG2 3.7Å; Y405-V412 HydrophobicContact CG-CG2 3.93Å
406V92.4Very high92.6Very high46 Ų4635.9 Ų35.928%0.27919%0.187SC..THydrogen-bonded Turntrans-54.3-46.3-176.1179.40000111.1K306 R311 T324K306-V406 HydrophobicContact CB-CG2 4.48Å; K306-V406 HydrophobicContact CD-CG2 3.98Å; K306-V406 HydrophobicContact CG-CG2 3.8Å; R311-V406 PolarHBondContact NH1-O 3.5Å; T324-V406 HydrophobicContact CG2-CG2 3.68Å
407N88.1Confident93.2Very high152 Ų15236.8 Ų36.881%0.81319%0.191SC*.THydrogen-bonded Turntrans-97.210.7-176.1-60.2-34000114.5Y405Y405-N407 VanDerWaalsContact C-N 3.26Å; Y405-N407 PolarHBondContact O-N 2.88Å
408K90.4Very high93.8Very high111 Ų11136 Ų3648%0.48319%0.185SC..EExtended strand (participates in β ladder)trans-148.1138-176.9-45.4168.9-174.11580112.1Y405 T410Y405-K408 PolarHBondContact O-N 3.02Å; Y405-K408 VanDerWaalsContact O-N 3.15Å; K408-T410 WeakPolarHBondContact CB-OG1 3.32Å; K408-T410 PolarHBondContact O-N 2.96Å
409E90.4Very high94.2Very high96 Ų9635.5 Ų35.545%0.44918%0.18SC..EExtended strand (participates in β ladder)trans-70.2-6.8174.5-70.3-63.1139.600114.7R311 K399 Q401 K404R311-E409 IonicContact NH2-OE1 2.73Å; R311-E409 PolarHBondContact NH2-OE1 2.92Å; R311-E409 VanDerWaalsContact NH2-OE1 3.11Å; K399-E409 IonicContact NZ-OE1 2.68Å; K399-E409 PolarHBondContact NZ-OE1 2.79Å; K399-E409 IonicContact NZ-OE2 3.53Å; K399-E409 PolarHBondContact NZ-OE2 3.41Å; Q401-E409 PolarHBondContact NE2-OE2 2.92Å; K404-E409 WeakPolarHBondContact CD-O 3.45Å; K404-E409 WeakPolarHBondContact CE-O 3.41Å; K404-E409 PolarHBondContact NZ-O 3.45Å
410T93.1Very high94.4Very high72 Ų7235 Ų3544%0.44218%0.177SC..EExtended strand (participates in β ladder)trans-65.4134.2174.347.80000110.9Y405 K408Y405-T410 WeakPolarHBondContact CD2-O 3.05Å; Y405-T410 WeakPolarHBondContact CD2-OG1 3.45Å; Y405-T410 PolarHBondContact N-O 2.98Å; K408-T410 WeakPolarHBondContact CB-OG1 3.32Å; K408-T410 PolarHBondContact O-N 2.96Å
411T96.1Very high94.5Very high3 Ų335 Ų352%0.01818%0.176CC..EExtended strand (participates in β ladder)trans-73.4144.3174.7-47.80000110.4V265 S267 V269 G403 K404V265-T411 HydrophobicContact CG1-CG2 3.65Å; S267-T411 VanDerWaalsContact CA-O 3.25Å; S267-T411 WeakPolarHBondContact CA-O 3.14Å; S267-T411 WeakPolarHBondContact CB-O 3.5Å; V269-T411 VanDerWaalsContact O-CB 3.3Å; V269-T411 WeakPolarHBondContact O-CB 3.14Å; V269-T411 WeakPolarHBondContact O-CG2 3.2Å; V269-T411 PolarHBondContact O-OG1 2.79Å; G403-T411 CarbonylContact O-C 3.57Å; G403-T411 VanDerWaalsContact O-CA 3.28Å; G403-T411 WeakPolarHBondContact O-CA 3.48Å; G403-T411 VanDerWaalsContact O-CG2 3.26Å; G403-T411 WeakPolarHBondContact O-CG2 3.28Å; K404-T411 PolarHBondContact NZ-OG1 3.14Å
412V95.9Very high94.6Very high0 Ų035 Ų350%018%0.176CC..PPolyproline II helixtrans-80.3141.6174.5178.30000109.3V302 W307 G403 Y405 F414V302-V412 HydrophobicContact CB-CG1 4.04Å; V302-V412 HydrophobicContact CG1-CG1 3.23Å; V302-V412 HydrophobicContact CG2-CG1 3.57Å; W307-V412 HydrophobicContact CB-CG2 3.68Å; W307-V412 HydrophobicContact CD2-CB 4.4Å; W307-V412 HydrophobicContact CD2-CG1 4.04Å; W307-V412 HydrophobicContact CD2-CG2 4.1Å; W307-V412 HydrophobicContact CE3-CB 4.18Å; W307-V412 HydrophobicContact CE3-CG1 4.19Å; W307-V412 HydrophobicContact CE3-CG2 4.07Å; W307-V412 HydrophobicContact CG-CG1 4.35Å; W307-V412 HydrophobicContact CG-CG2 3.97Å; G403-V412 PolarHBondContact O-N 2.87Å; Y405-V412 HydrophobicContact CD1-CG2 4.13Å; Y405-V412 HydrophobicContact CD2-CG2 3.7Å; Y405-V412 HydrophobicContact CE1-CG2 4.13Å; Y405-V412 HydrophobicContact CE2-CB 4.42Å; Y405-V412 HydrophobicContact CE2-CG2 3.7Å; Y405-V412 HydrophobicContact CG-CG2 3.93Å; V412-F414 WeakPolarHBondContact O-CD1 3.39Å
413P95.9Very high94.4Very high59 Ų5935 Ų3538%0.38318%0.176SC..PPolyproline II helixtrans-79119.1171.529.5-31.4000111.6V265 V302V265-P413 VanDerWaalsContact O-CA 3.32Å; V265-P413 WeakPolarHBondContact O-CA 3.15Å; V302-P413 HydrophobicContact CG2-CG 3.69Å
414F96.8Very high94.3Very high8 Ų835.4 Ų35.44%0.03518%0.179CC..EExtended strand (participates in β ladder)trans-157.6169.6178.374.2-67.2000111.8V265 L296 W307 L309 V402 V412 I416V265-F414 WeakPolarHBondContact CA-O 2.93Å; V265-F414 HydrophobicContact CB-CD1 3.78Å; V265-F414 HydrophobicContact CB-CE1 3.72Å; V265-F414 HydrophobicContact CB-CZ 4.49Å; V265-F414 WeakPolarHBondContact CB-O 3.35Å; V265-F414 HydrophobicContact CG1-CD1 4.14Å; V265-F414 HydrophobicContact CG1-CE1 3.78Å; V265-F414 HydrophobicContact CG2-CD1 4.23Å; V265-F414 HydrophobicContact CG2-CE1 3.84Å; V265-F414 HydrophobicContact CG2-CZ 4.12Å; V265-F414 PolarHBondContact N-O 2.86Å; V265-F414 PolarHBondContact O-N 3.35Å; L296-F414 HydrophobicContact CB-CD2 4.47Å; L296-F414 HydrophobicContact CD1-CD2 4.32Å; W307-F414 HydrophobicContact CH2-CB 4.43Å; W307-F414 HydrophobicContact CH2-CD2 4.06Å; W307-F414 HydrophobicContact CH2-CE2 4.4Å; W307-F414 HydrophobicContact CH2-CG 4.14Å; W307-F414 HydrophobicContact CZ3-CD1 4.42Å; W307-F414 HydrophobicContact CZ3-CD2 4.43Å; W307-F414 HydrophobicContact CZ3-CE1 4.47Å; W307-F414 HydrophobicContact CZ3-CE2 4.43Å; W307-F414 HydrophobicContact CZ3-CG 4.42Å; W307-F414 HydrophobicContact CZ3-CZ 4.47Å; L309-F414 HydrophobicContact CD1-CE2 3.89Å; L309-F414 HydrophobicContact CD1-CZ 4.32Å; V402-F414 HydrophobicContact CG1-CZ 3.97Å; V412-F414 WeakPolarHBondContact O-CD1 3.39Å; F414-I416 HydrophobicContact CD2-CB 4.26Å; F414-I416 HydrophobicContact CE2-CB 3.78Å; F414-I416 HydrophobicContact CE2-CD1 3.82Å; F414-I416 HydrophobicContact CE2-CG1 4.16Å; F414-I416 HydrophobicContact CE2-CG2 4.43Å; F414-I416 HydrophobicContact CZ-CD1 4.32Å
415E96.8Very high94.2Very high38 Ų3836.7 Ų36.718%0.17819%0.187CC..EExtended strand (participates in β ladder)trans-110.9139.5173-66.5174.1176.100110.5Y263 L296 R297 W362Y263-E415 WeakPolarHBondContact O-CA 3.43Å; L296-E415 WeakPolarHBondContact CA-O 3.07Å; L296-E415 WeakPolarHBondContact CB-O 3.35Å; R297-E415 HydrophobicContact CB-CB 4.43Å; R297-E415 IonicContact CZ-OE1 3.5Å; R297-E415 IonicContact CZ-OE2 2.75Å; R297-E415 PolarHBondContact N-O 2.93Å; R297-E415 IonicContact NE-OE2 3.85Å; R297-E415 PolarHBondContact NE-OE2 3.14Å; R297-E415 IonicContact NH2-OE1 2.68Å; R297-E415 PolarHBondContact NH2-OE1 3.43Å; R297-E415 IonicContact NH2-OE2 3.44Å; R297-E415 PolarHBondContact NH2-OE2 3.36Å; R297-E415 PolarHBondContact O-N 2.88Å; W362-E415 HydrophobicContact CH2-CB 3.89Å; W362-E415 HydrophobicContact CZ2-CB 4.16Å; W362-E415 WeakPolarHBondContact CZ2-OE2 3.01Å
416I97.3Very high94Very high0 Ų040.3 Ų40.30%021%0.205CC..EExtended strand (participates in β ladder)trans-136.4140-179.8-158.5171.8000111.9L241 L246 A262 Y263 V265 L296 L309 F414 L419L241-I416 HydrophobicContact CD1-CD1 4.38Å; L241-I416 HydrophobicContact CD1-CG1 4.29Å; L241-I416 HydrophobicContact CD1-CG2 4.06Å; L241-I416 HydrophobicContact CD2-CD1 3.98Å; L241-I416 HydrophobicContact CD2-CG2 4.2Å; L246-I416 HydrophobicContact CD2-CG2 3.57Å; A262-I416 CarbonylContact C-O 3.52Å; A262-I416 WeakPolarHBondContact CA-O 3.24Å; Y263-I416 PolarHBondContact N-O 3.01Å; Y263-I416 PolarHBondContact O-N 3.29Å; V265-I416 HydrophobicContact CG2-CG2 4.17Å; L296-I416 HydrophobicContact CB-CG1 4.26Å; L309-I416 HydrophobicContact CD1-CD1 4.5Å; F414-I416 HydrophobicContact CD2-CB 4.26Å; F414-I416 HydrophobicContact CE2-CB 3.78Å; F414-I416 HydrophobicContact CE2-CD1 3.82Å; F414-I416 HydrophobicContact CE2-CG1 4.16Å; F414-I416 HydrophobicContact CE2-CG2 4.43Å; F414-I416 HydrophobicContact CZ-CD1 4.32Å; I416-L419 HydrophobicContact CD1-CB 3.65Å; I416-L419 HydrophobicContact CD1-CD2 4.08Å; I416-L419 HydrophobicContact CD1-CG 4.36Å
417Q95.9Very high94Very high33 Ų3338.5 Ų38.515%0.15419%0.194CC..EExtended strand (participates in β ladder)trans-115.3-37.1-179.7176164.1-54.100112.2S256 T260 A262 T295 W362S256-Q417 PolarHBondContact OG-NE2 3.5Å; S256-Q417 PolarHBondContact OG-OE1 3.39Å; T260-Q417 PolarHBondContact OG1-OE1 2.91Å; A262-Q417 HydrophobicContact CB-CB 4.35Å; T295-Q417 HydrophobicContact CG2-CB 4.26Å; T295-Q417 PolarHBondContact O-N 2.99Å; W362-Q417 HydrophobicContact CH2-CB 4.15Å; W362-Q417 HydrophobicContact CZ3-CB 3.81Å
418K94.8Very high94.3Very high31 Ų3131.7 Ų31.714%0.13516%0.158CC..EExtended strand (participates in β ladder)trans-141.3136.1-177.3-169.5-172.6-70.71700108.3V293 A294 T295 R420 E431 E435V293-K418 HydrophobicContact CG1-CD 3.8Å; A294-K418 CarbonylContact C-O 3.6Å; A294-K418 VanDerWaalsContact CA-O 3.27Å; A294-K418 WeakPolarHBondContact CA-O 3.42Å; T295-K418 PolarHBondContact N-O 2.87Å; T295-K418 PolarHBondContact O-N 3.34Å; K418-R420 HydrophobicContact CG-CG 4.32Å; K418-E431 WeakPolarHBondContact CD-OE1 3.24Å; K418-E431 WeakPolarHBondContact CE-OE1 3.33Å; K418-E431 IonicContact NZ-OE1 2.72Å; K418-E431 PolarHBondContact NZ-OE1 3.11Å; K418-E435 WeakPolarHBondContact CE-OE1 3.5Å; K418-E435 IonicContact NZ-OE1 3.93Å; K418-E435 PolarHBondContact NZ-OE1 2.74Å; K418-E435 IonicContact NZ-OE2 2.85Å
419L95.8Very high94.4Very high1 Ų131.9 Ų31.91%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-152.1106.9165.6178.666000108.3I240 L241 F292 V293 A294 V402 I416I240-L419 HydrophobicContact CB-CD2 4.07Å; I240-L419 HydrophobicContact CB-CG 4.04Å; I240-L419 HydrophobicContact CD1-CD2 4.39Å; I240-L419 HydrophobicContact CD1-CG 4.01Å; I240-L419 HydrophobicContact CG2-CD2 3.78Å; I240-L419 HydrophobicContact CG2-CG 4.3Å; I240-L419 PolarHBondContact N-O 3.39Å; I240-L419 VanDerWaalsContact N-O 3.11Å; L241-L419 HydrophobicContact CD1-CB 4.22Å; L241-L419 HydrophobicContact CD2-CB 3.79Å; L241-L419 HydrophobicContact CD2-CD2 4.09Å; L241-L419 HydrophobicContact CG-CB 3.84Å; F292-L419 HydrophobicContact CE1-CD1 4.1Å; F292-L419 HydrophobicContact CE2-CD1 3.76Å; F292-L419 HydrophobicContact CZ-CD1 3.37Å; V293-L419 CarbonylContact O-C 3.56Å; V293-L419 WeakPolarHBondContact O-CA 3.3Å; A294-L419 HydrophobicContact CB-CD1 3.74Å; V402-L419 HydrophobicContact CG1-CD2 3.96Å; V402-L419 HydrophobicContact CG2-CD2 3.65Å; I416-L419 HydrophobicContact CD1-CB 3.65Å; I416-L419 HydrophobicContact CD1-CD2 4.08Å; I416-L419 HydrophobicContact CD1-CG 4.36Å
420R94.3Very high94.4Very high45 Ų4531.2 Ų31.217%0.1716%0.162CC..EExtended strand (participates in β ladder)trans-140.8152.8-169.1-69178.4170.8-179-7111I228 F238 D239 V293 K418 Y422I228-R420 HydrophobicContact CD1-CB 4.28Å; I228-R420 HydrophobicContact CD1-CG 4.19Å; F238-R420 VanDerWaalsContact O-CA 3.32Å; F238-R420 WeakPolarHBondContact O-CA 3.46Å; D239-R420 IonicContact OD2-CZ 3.21Å; D239-R420 IonicContact OD2-NE 2.76Å; D239-R420 PolarHBondContact OD2-NE 3.11Å; D239-R420 IonicContact OD2-NH2 2.72Å; D239-R420 PolarHBondContact OD2-NH2 2.78Å; V293-R420 PolarHBondContact N-O 3.44Å; V293-R420 PolarHBondContact O-N 2.83Å; K418-R420 HydrophobicContact CG-CG 4.32Å; R420-Y422 HydrophobicContact CB-CE2 4.3Å; R420-Y422 WeakPolarHBondContact CD-OH 3.22Å; R420-Y422 PolarHBondContact NH1-OH 2.93Å
421I94.4Very high94.2Very high0 Ų028.5 Ų28.50%014%0.144CC..EExtended strand (participates in β ladder)trans-122.1115.3164.3-65.7171.8000107G237 F238 I240 F282 F286 Y290 V291 F292 W310G237-I421 CarbonylContact C-O 3.54Å; G237-I421 WeakPolarHBondContact CA-O 3.35Å; F238-I421 HydrophobicContact CB-CB 4.49Å; F238-I421 HydrophobicContact CD2-CB 4.02Å; F238-I421 HydrophobicContact CD2-CG2 4.03Å; F238-I421 PolarHBondContact N-O 3.09Å; F238-I421 PolarHBondContact O-N 3.15Å; I240-I421 HydrophobicContact CD1-CD1 3.99Å; I240-I421 HydrophobicContact CD1-CG1 4.09Å; F282-I421 HydrophobicContact CE1-CD1 4.17Å; F282-I421 HydrophobicContact CZ-CD1 4.19Å; F286-I421 HydrophobicContact CD1-CG2 4.36Å; F286-I421 HydrophobicContact CE1-CD1 3.65Å; F286-I421 HydrophobicContact CE1-CG2 4.19Å; F286-I421 HydrophobicContact CZ-CD1 4.09Å; Y290-I421 HydrophobicContact CD2-CG2 3.76Å; Y290-I421 HydrophobicContact CE2-CG2 4.49Å; Y290-I421 HydrophobicContact CG-CG2 4.17Å; V291-I421 CarbonylContact O-C 3.49Å; V291-I421 WeakPolarHBondContact O-CA 3.31Å; F292-I421 HydrophobicContact CB-CG1 4.39Å; F292-I421 HydrophobicContact CD2-CD1 4.08Å; F292-I421 HydrophobicContact CD2-CG1 3.75Å; F292-I421 HydrophobicContact CG-CG1 4.47Å; W310-I421 HydrophobicContact CH2-CD1 3.92Å; W310-I421 HydrophobicContact CZ2-CD1 3.89Å; W310-I421 HydrophobicContact CZ3-CD1 4.45Å
422Y94.4Very high94Very high2 Ų231.3 Ų31.31%0.00816%0.161CC..EExtended strand (participates in β ladder)trans-92.6132.7173.9-57.5-73.4000109.7I228 I230 E235 Y290 V291 V293 R420 Q427 E431I228-Y422 HydrophobicContact CD1-CD1 3.86Å; I228-Y422 HydrophobicContact CD1-CE1 3.78Å; I228-Y422 HydrophobicContact CG2-CE1 4.33Å; I230-Y422 HydrophobicContact CD1-CE1 3.86Å; E235-Y422 HydrophobicContact CB-CD1 4.26Å; E235-Y422 HydrophobicContact CB-CE1 4.46Å; Y290-Y422 WeakPolarHBondContact CA-O 3.44Å; Y290-Y422 VanDerWaalsContact CB-O 3.28Å; Y290-Y422 WeakPolarHBondContact CB-O 3.48Å; V291-Y422 PolarHBondContact N-O 2.77Å; V291-Y422 PolarHBondContact O-N 2.88Å; V293-Y422 HydrophobicContact CB-CE2 4.23Å; V293-Y422 HydrophobicContact CG2-CD2 3.86Å; V293-Y422 HydrophobicContact CG2-CE2 3.76Å; R420-Y422 HydrophobicContact CB-CE2 4.3Å; R420-Y422 WeakPolarHBondContact CD-OH 3.22Å; R420-Y422 PolarHBondContact NH1-OH 2.93Å; Y422-Q427 HydrophobicContact CD1-CG 4.06Å; Y422-Q427 HydrophobicContact CD2-CB 4.47Å; Y422-Q427 HydrophobicContact CD2-CG 3.54Å; Y422-Q427 HydrophobicContact CE1-CG 4.48Å; Y422-Q427 HydrophobicContact CE2-CG 3.97Å; Y422-Q427 HydrophobicContact CG-CB 4.3Å; Y422-Q427 HydrophobicContact CG-CG 3.55Å; Y422-E431 HydrophobicContact CE2-CG 4.44Å; Y422-E431 WeakPolarHBondContact CE2-OE2 3.31Å; Y422-E431 PolarHBondContact OH-OE2 3.33Å
423C93.5Very high93.8Very high0 Ų031.3 Ų31.30%016%0.161CC..SBendtrans-81.4-18.5-175.6-630000113.8Q216 E220 C224 K236 P287 P425Q216-C423 PolarHBondContact NE2-O 3.16Å; E220-C423 HydrophobicContact CG-CB 3.98Å; E220-C423 WeakPolarHBondContact CG-O 3.49Å; C224-C423 HydrophobicContact CB-CB 3.82Å; C224-C423 WeakPolarHBondContact CB-SG 3.39Å; C224-C423 WeakPolarHBondContact SG-CB 3.21Å; C224-C423 CovalentContact SG-SG 2.02Å; C224-C423 PolarHBondContact SG-SG 2.83Å; K236-C423 HydrophobicContact CB-CB 4.39Å; K236-C423 PolarHBondContact O-N 3.49Å; P287-C423 HydrophobicContact CG-CB 4.01Å; C423-P425 WeakPolarHBondContact O-CD 3.15Å
424D92.6Very high93.4Very high10 Ų1029.6 Ų29.65%0.05315%0.15CC..  trans-87.6114.9174-173.84.3000110.2K217 E426 Q427 R430K217-D424 IonicContact NZ-OD1 2.64Å; K217-D424 PolarHBondContact NZ-OD1 3.32Å; K217-D424 IonicContact NZ-OD2 3.12Å; D424-E426 PolarHBondContact O-N 3.36Å; D424-E426 WeakPolarHBondContact OD1-CB 3.41Å; D424-E426 PolarHBondContact OD1-N 2.78Å; D424-E426 VanDerWaalsContact OD1-N 3.15Å; D424-Q427 WeakPolarHBondContact O-CB 3.44Å; D424-Q427 PolarHBondContact O-N 3.31Å; D424-R430 IonicContact OD2-CZ 2.65Å; D424-R430 IonicContact OD2-NH1 3.54Å; D424-R430 PolarHBondContact OD2-NH1 2.88Å; D424-R430 IonicContact OD2-NH2 2.85Å; D424-R430 PolarHBondContact OD2-NH2 3.29Å
425P94.3Very high93Very high31 Ų3130.8 Ų30.820%0.20116%0.156CC..THydrogen-bonded Turntrans-61.6-25.917825-34.9000113Q216 L368 C423 Q427 N428Q216-P425 HydrophobicContact CG-CG 4.35Å; L368-P425 HydrophobicContact CD1-CB 3.9Å; C423-P425 WeakPolarHBondContact O-CD 3.15Å; P425-Q427 PolarHBondContact O-N 3.25Å; P425-N428 WeakPolarHBondContact O-CB 3.48Å; P425-N428 PolarHBondContact O-N 3.31Å; P425-N428 VanDerWaalsContact O-N 3.14Å
426E91.9Very high92.7Very high109 Ų10929.5 Ų29.551%0.50915%0.15SC..THydrogen-bonded Turntrans-62-23.2175-65.8-174.9178.900112.7D424 N428 T429 R430D424-E426 PolarHBondContact O-N 3.36Å; D424-E426 WeakPolarHBondContact OD1-CB 3.41Å; D424-E426 PolarHBondContact OD1-N 2.78Å; D424-E426 VanDerWaalsContact OD1-N 3.15Å; E426-N428 PolarHBondContact O-N 3.03Å; E426-T429 PolarHBondContact O-N 3.41Å; E426-T429 PolarHBondContact O-OG1 3.17Å; E426-R430 IonicContact OE2-NH1 2.62Å; E426-R430 PolarHBondContact OE2-NH1 3.35Å
427Q91.9Very high92.1Very high8 Ų832.6 Ų32.64%0.03717%0.17CC..Hα-helixtrans-60-19.3176.8-173.559.218.900112.2V291 Y422 D424 P425 T429 R430 E431V291-Q427 HydrophobicContact CG2-CB 4.41Å; Y422-Q427 HydrophobicContact CD1-CG 4.06Å; Y422-Q427 HydrophobicContact CD2-CB 4.47Å; Y422-Q427 HydrophobicContact CD2-CG 3.54Å; Y422-Q427 HydrophobicContact CE1-CG 4.48Å; Y422-Q427 HydrophobicContact CE2-CG 3.97Å; Y422-Q427 HydrophobicContact CG-CB 4.3Å; Y422-Q427 HydrophobicContact CG-CG 3.55Å; D424-Q427 WeakPolarHBondContact O-CB 3.44Å; D424-Q427 PolarHBondContact O-N 3.31Å; P425-Q427 PolarHBondContact O-N 3.25Å; Q427-T429 PolarHBondContact O-N 3.44Å; Q427-R430 PolarHBondContact O-N 3.07Å; Q427-R430 VanDerWaalsContact O-N 3.11Å; Q427-E431 PolarHBondContact NE2-OE2 3.42Å; Q427-E431 VanDerWaalsContact NE2-OE2 3.11Å; Q427-E431 VanDerWaalsContact O-CB 3.26Å; Q427-E431 WeakPolarHBondContact O-CB 3.43Å; Q427-E431 PolarHBondContact O-N 3.2Å
428N94.2Very high91.4Very high9 Ų933.5 Ų33.55%0.04819%0.189CC..Hα-helixtrans-60.1-25.3171.3179.959.8000113.2V291 R366 L368 Y377 P425 E426V291-N428 HydrophobicContact CG1-CB 4.13Å; V291-N428 HydrophobicContact CG2-CB 3.9Å; R366-N428 WeakPolarHBondContact CD-OD1 3.19Å; R366-N428 PolarHBondContact NE-O 3.15Å; R366-N428 PolarHBondContact NE-OD1 3.11Å; R366-N428 PolarHBondContact NH2-O 3.08Å; L368-N428 HydrophobicContact CB-CB 4.33Å; L368-N428 HydrophobicContact CD1-CB 4.18Å; L368-N428 HydrophobicContact CD2-CB 4.41Å; Y377-N428 WeakPolarHBondContact CD2-OD1 3.31Å; Y377-N428 WeakPolarHBondContact CE2-ND2 3.37Å; Y377-N428 VanDerWaalsContact CE2-OD1 3.24Å; Y377-N428 WeakPolarHBondContact CE2-OD1 3.48Å; Y377-N428 VanDerWaalsContact CZ-ND2 3.29Å; Y377-N428 PolarHBondContact OH-ND2 3.21Å; Y377-N428 VanDerWaalsContact OH-ND2 3.14Å; P425-N428 WeakPolarHBondContact O-CB 3.48Å; P425-N428 PolarHBondContact O-N 3.31Å; P425-N428 VanDerWaalsContact O-N 3.14Å; E426-N428 PolarHBondContact O-N 3.03Å
429T91.3Very high90.8Very high115 Ų11534.1 Ų34.171%0.70620%0.195SC*.Hα-helixtrans-92.8-18.1176.667.70000113.8E426 Q427E426-T429 PolarHBondContact O-N 3.41Å; E426-T429 PolarHBondContact O-OG1 3.17Å; Q427-T429 PolarHBondContact O-N 3.44Å
430R90.5Very high89.9Confident82 Ų8235 Ų3531%0.30920%0.201SC..Hα-helixtrans-101-30.4-176.1-58.4-169.4-67.3-109.112.2112.5E235 D424 E426 Q427E235-R430 IonicContact OE1-NH2 3.88Å; E235-R430 IonicContact OE2-CZ 3.26Å; E235-R430 IonicContact OE2-NH2 3.91Å; E235-R430 PolarHBondContact OE2-NH2 3.4Å; D424-R430 IonicContact OD2-CZ 2.65Å; D424-R430 IonicContact OD2-NH1 3.54Å; D424-R430 PolarHBondContact OD2-NH1 2.88Å; D424-R430 IonicContact OD2-NH2 2.85Å; D424-R430 PolarHBondContact OD2-NH2 3.29Å; E426-R430 IonicContact OE2-NH1 2.62Å; E426-R430 PolarHBondContact OE2-NH1 3.35Å; Q427-R430 PolarHBondContact O-N 3.07Å; Q427-R430 VanDerWaalsContact O-N 3.11Å
431E90.8Very high88.1Confident15 Ų1536.3 Ų36.37%0.0722%0.217CC..  trans-67.7133.1170.1-167.774.6-163.300109V293 R366 K418 Y422 Q427V293-E431 HydrophobicContact CG1-CG 4.07Å; V293-E431 HydrophobicContact CG2-CG 4.12Å; R366-E431 PolarHBondContact NH1-O 3.34Å; K418-E431 WeakPolarHBondContact CD-OE1 3.24Å; K418-E431 WeakPolarHBondContact CE-OE1 3.33Å; K418-E431 IonicContact NZ-OE1 2.72Å; K418-E431 PolarHBondContact NZ-OE1 3.11Å; Y422-E431 HydrophobicContact CE2-CG 4.44Å; Y422-E431 WeakPolarHBondContact CE2-OE2 3.31Å; Y422-E431 PolarHBondContact OH-OE2 3.33Å; Q427-E431 PolarHBondContact NE2-OE2 3.42Å; Q427-E431 VanDerWaalsContact NE2-OE2 3.11Å; Q427-E431 VanDerWaalsContact O-CB 3.26Å; Q427-E431 WeakPolarHBondContact O-CB 3.43Å; Q427-E431 PolarHBondContact O-N 3.2Å
432T90.3Very high85.8Confident61 Ų6144.3 Ų44.337%0.37426%0.26SS..  trans-123.8162.3172.364.30000109.7Q364 D380 C434 E435Q364-T432 PolarHBondContact NE2-O 3.49Å; D380-T432 WeakPolarHBondContact OD1-CA 3.48Å; D380-T432 VanDerWaalsContact OD2-CA 3.31Å; D380-T432 WeakPolarHBondContact OD2-CA 3.34Å; D380-T432 WeakPolarHBondContact OD2-CB 3.45Å; T432-C434 VanDerWaalsContact CB-SG 3.57Å; T432-C434 PolarHBondContact OG1-SG 3.36Å; T432-E435 VanDerWaalsContact O-OE2 3.08Å
433A91.6Very high83.3Confident0 Ų050.6 Ų50.60%029%0.289CS..  trans-99.819.4170.800000111.8Q364 D379 D380 E435 I436 V439Q364-A433 HydrophobicContact CB-CB 3.75Å; Q364-A433 HydrophobicContact CG-CB 4.43Å; D379-A433 HydrophobicContact CB-CB 4.46Å; D380-A433 VanDerWaalsContact CG-N 3.34Å; D380-A433 PolarHBondContact OD1-N 3.26Å; D380-A433 PolarHBondContact OD2-N 2.86Å; A433-E435 WeakPolarHBondContact CA-OE2 3.43Å; A433-E435 PolarHBondContact O-N 3.33Å; A433-E435 VanDerWaalsContact O-N 3.09Å; A433-I436 HydrophobicContact CB-CD1 4.5Å; A433-I436 WeakPolarHBondContact O-CB 3.46Å; A433-I436 PolarHBondContact O-N 3.24Å; A433-V439 HydrophobicContact CB-CG1 3.94Å
434C88.4Confident80.9Confident24 Ų2456 Ų5616%0.16233%0.333CS..THydrogen-bonded Turntrans-64-12.4-180-56.80000113.6T432 I436 C440 Y446T432-C434 VanDerWaalsContact CB-SG 3.57Å; T432-C434 PolarHBondContact OG1-SG 3.36Å; C434-I436 PolarHBondContact O-N 3.2Å; C434-C440 WeakPolarHBondContact CA-SG 3.21Å; C434-C440 HydrophobicContact CB-CB 3.69Å; C434-C440 WeakPolarHBondContact CB-SG 3.39Å; C434-C440 PolarHBondContact N-SG 2.88Å; C434-C440 WeakPolarHBondContact SG-CB 3.42Å; C434-C440 CovalentContact SG-SG 2.03Å; C434-C440 PolarHBondContact SG-SG 2.85Å; C434-Y446 PolarHBondContact O-OH 2.89Å
435E87.9Confident78.5Confident32 Ų3263.1 Ų63.115%0.1537%0.372CS..THydrogen-bonded Turntrans-67.2-11.316875.5-86.6-155.700113.5S256 F257 T295 Q364 K418 T432 A433S256-E435 WeakPolarHBondContact CB-O 3.28Å; S256-E435 PolarHBondContact OG-O 3.41Å; F257-E435 WeakPolarHBondContact CB-O 3.39Å; T295-E435 HydrophobicContact CG2-CG 4.28Å; T295-E435 PolarHBondContact OG1-OE1 3.38Å; Q364-E435 PolarHBondContact NE2-OE1 3.18Å; K418-E435 WeakPolarHBondContact CE-OE1 3.5Å; K418-E435 IonicContact NZ-OE1 3.93Å; K418-E435 PolarHBondContact NZ-OE1 2.74Å; K418-E435 IonicContact NZ-OE2 2.85Å; T432-E435 VanDerWaalsContact O-OE2 3.08Å; A433-E435 WeakPolarHBondContact CA-OE2 3.43Å; A433-E435 PolarHBondContact O-N 3.33Å; A433-E435 VanDerWaalsContact O-N 3.09Å
436I90.1Very high75.9Confident11 Ų1166.4 Ų66.46%0.05638%0.381CS..SBendtrans-101.6120.4178.2-54.4174.8000109.4T295 W362 H363 Q364 A433 C434 G438 V439T295-I436 HydrophobicContact CG2-CD1 4.18Å; T295-I436 HydrophobicContact CG2-CG1 4.32Å; W362-I436 HydrophobicContact CB-CG2 4.36Å; H363-I436 VanDerWaalsContact C-CD1 3.43Å; Q364-I436 HydrophobicContact CB-CD1 3.97Å; A433-I436 HydrophobicContact CB-CD1 4.5Å; A433-I436 WeakPolarHBondContact O-CB 3.46Å; A433-I436 PolarHBondContact O-N 3.24Å; C434-I436 PolarHBondContact O-N 3.2Å; I436-G438 PolarHBondContact O-N 3.34Å; I436-V439 HydrophobicContact CB-CG2 3.74Å; I436-V439 HydrophobicContact CG2-CG2 3.77Å; I436-V439 PolarHBondContact O-N 3.34Å
437P85.1Confident73.4Confident65 Ų6567.5 Ų67.542%0.42240%0.395SS..THydrogen-bonded Turntrans-57.4137.9178.2-28.438.7000112.6S256 F257 V439S256-P437 WeakPolarHBondContact O-CD 3.43Å; F257-P437 HydrophobicContact CB-CG 4.14Å; F257-P437 HydrophobicContact CD2-CG 3.66Å; F257-P437 HydrophobicContact CG-CG 4.34Å; P437-V439 VanDerWaalsContact C-N 3.33Å
438G81.3Confident70.7Confident53 Ų5374.5 Ų74.555%0.54643%0.428SS..THydrogen-bonded Turntrans85.6-7.1179.400000115.5I436 S441I436-G438 PolarHBondContact O-N 3.34Å; G438-S441 WeakPolarHBondContact CA-OG 3.43Å; G438-S441 PolarHBondContact O-OG 3.02Å
439V82.7Confident68.1Low43 Ų4378 Ų7826%0.26145%0.451SS..THydrogen-bonded Turntrans-82.5-53.1179.8179.60000111.7D379 A433 I436 P437 S441D379-V439 HydrophobicContact CB-CG1 3.89Å; D379-V439 HydrophobicContact CB-CG2 3.87Å; D379-V439 WeakPolarHBondContact O-CG1 3.46Å; A433-V439 HydrophobicContact CB-CG1 3.94Å; I436-V439 HydrophobicContact CB-CG2 3.74Å; I436-V439 HydrophobicContact CG2-CG2 3.77Å; I436-V439 PolarHBondContact O-N 3.34Å; P437-V439 VanDerWaalsContact C-N 3.33Å; V439-S441 VanDerWaalsContact C-N 3.35Å; V439-S441 PolarHBondContact O-N 2.65Å
440C75.4Confident65.5Low19 Ų1978.6 Ų78.613%0.12845%0.454CS..SBendtrans-92.425.5-176.2-67.20000114.8C434 N442 H443C434-C440 WeakPolarHBondContact CA-SG 3.21Å; C434-C440 HydrophobicContact CB-CB 3.69Å; C434-C440 WeakPolarHBondContact CB-SG 3.39Å; C434-C440 PolarHBondContact N-SG 2.88Å; C434-C440 WeakPolarHBondContact SG-CB 3.42Å; C434-C440 CovalentContact SG-SG 2.03Å; C434-C440 PolarHBondContact SG-SG 2.85Å; C440-N442 PolarHBondContact O-N 2.98Å; C440-H443 PolarHBondContact O-N 2.77Å
441S56.5Low63.3Low74 Ų7480.3 Ų80.352%0.51748%0.476SS..THydrogen-bonded Turntrans-633.4-171.4-50.70000116.7G438 V439G438-S441 WeakPolarHBondContact CA-OG 3.43Å; G438-S441 PolarHBondContact O-OG 3.02Å; V439-S441 VanDerWaalsContact C-N 3.35Å; V439-S441 PolarHBondContact O-N 2.65Å
442N47.3Very low60.7Low168 Ų16888.3 Ų88.390%0.89851%0.514SS*.THydrogen-bonded Turntrans-106-0.1172.4-73-31.1000113.7C440C440-N442 PolarHBondContact O-N 2.98Å
443H42.6Very low58.4Low133 Ų13391.2 Ų91.262%0.61653%0.533SS*.SBendtrans-74.1126.1163.5-94.3-85.9000109.4C440 D445 Y446C440-H443 PolarHBondContact O-N 2.77Å; H443-D445 PolarHBondContact O-N 2.94Å; H443-Y446 PolarHBondContact O-N 3.5Å; H443-Y446 VanDerWaalsContact O-N 3.15Å
444A41.8Very low55.7Low113 Ų11396.9 Ų96.993%0.93457%0.572SS**THydrogen-bonded Turntrans-67.611.5-169.800000116.3
445D42.2Very low53.3Low160 Ų160100.7 Ų100.786%0.85661%0.605SS**THydrogen-bonded Turntrans-124.73-179.2-114.4-15.4000112.8H443 T447H443-D445 PolarHBondContact O-N 2.94Å; D445-T447 PolarHBondContact O-N 2.62Å
446Y39.6Very low50.8Low100 Ų100104.4 Ų104.439%0.39263%0.633SS.*  trans-9287178.6-118.5-76.4000111.6C434 H443C434-Y446 PolarHBondContact O-OH 2.89Å; H443-Y446 PolarHBondContact O-N 3.5Å; H443-Y446 VanDerWaalsContact O-N 3.15Å
447T39.6Very low48.7Very low132 Ų132109.3 Ų109.381%0.8167%0.666SS**PPolyproline II helixtrans-75.7119.1161.421.90000109.9D445D445-T447 PolarHBondContact O-N 2.62Å
448E34.9Very low46.9Very low156 Ų156112.4 Ų112.473%0.72969%0.686SS**PPolyproline II helixtrans-62.9128.7173-161.7172-140.900109.6T450E448-T450 PolarHBondContact O-N 3.28Å
449P40.5Very low45.5Very low82 Ų82112.6 Ų112.653%0.53269%0.688SS.*PPolyproline II helixtrans-64.9124.3175.9-16.829000109.4F257F257-P449 HydrophobicContact CE2-CG 3.81Å; F257-P449 HydrophobicContact CZ-CG 4.07Å
450T35.5Very low43.9Very low127 Ų127116.4 Ų116.478%0.77971%0.714SS**PPolyproline II helixtrans-57.9133173.844.30000109.7E448 E452E448-T450 PolarHBondContact O-N 3.28Å; T450-E452 PolarHBondContact O-N 3.08Å
451P44.2Very low42.9Very low119 Ų119121.5 Ų121.577%0.77375%0.747SS**PPolyproline II helixtrans-53.8134.8171.5-23.232.8000109.8
452E37.6Very low42.6Very low183 Ų183121 Ų12186%0.85575%0.753SS**PPolyproline II helixtrans-57.2135.8175.5-73.7-169.9151.700109.9T450 C454T450-E452 PolarHBondContact O-N 3.08Å; E452-C454 PolarHBondContact O-N 3.21Å
453P41Very low42.8Very low121 Ų121118.7 Ų118.779%0.78675%0.747SS**PPolyproline II helixtrans-63.9137.6176.927.7-33.9000109.5A455P453-A455 PolarHBondContact O-N 3.3Å; P453-A455 VanDerWaalsContact O-N 3.09Å
454C35.9Very low43.6Very low120 Ų120118.5 Ų118.581%0.81176%0.758SS**PPolyproline II helixtrans-47.6118.5-179.9-59.40000111.5E452 C456E452-C454 PolarHBondContact O-N 3.21Å; C454-C456 PolarHBondContact O-N 3.02Å
455A36.9Very low43.8Very low104 Ų104116.6 Ų116.686%0.8675%0.75SS**  trans-68.193175.600000110.4P453P453-A455 PolarHBondContact O-N 3.3Å; P453-A455 VanDerWaalsContact O-N 3.09Å
456C35.6Very low44.3Very low109 Ų109115.8 Ų115.874%0.73675%0.75SS**PPolyproline II helixtrans-61.5139.9165.9-700000109.5C454C454-C456 PolarHBondContact O-N 3.02Å
457P46.5Very low44.5Very low114 Ų114115.8 Ų115.874%0.7477%0.771SS**PPolyproline II helixtrans-59.6146.2173.126.3-34000110G459P457-G459 PolarHBondContact O-N 3.06Å
458P48Very low44.9Very low130 Ų130113 Ų11384%0.84477%0.769SS**PPolyproline II helixtrans-54.7126.5179.7-25.534.1000111.2
459G52.1Low45.6Very low58 Ų58115 Ų11560%0.59878%0.778SS**PPolyproline II helixtrans-59.4149.5171.300000110.6P457P457-G459 PolarHBondContact O-N 3.06Å
460P48.8Very low45.9Very low122 Ų122120.9 Ų120.979%0.79280%0.795SS**PPolyproline II helixtrans-56.7144.1177.124.9-33.9000110.2G462P460-G462 PolarHBondContact O-N 2.83Å
461P54.4Low46.6Very low127 Ų127118 Ų11883%0.82579%0.791SS**PPolyproline II helixtrans-51.5131179.8-27.534.8000111.6
462G50.4Low46.6Very low63 Ų63118 Ų11865%0.64979%0.794SS**PPolyproline II helixtrans-57.4145.8175.600000110.9P460P460-G462 PolarHBondContact O-N 2.83Å
463P51.5Low46.8Very low120 Ų120114.9 Ų114.978%0.77979%0.793SS**PPolyproline II helixtrans-57.3142.7178.324.8-33.8000110.1G465P463-G465 PolarHBondContact O-N 2.98Å
464P58.1Low46.9Very low128 Ų128112.7 Ų112.783%0.83179%0.791SS**PPolyproline II helixtrans-52.3130-179.9-27.734.9000111.7T466P464-T466 PolarHBondContact O-N 2.86Å
465G47.5Very low47.4Very low74 Ų74114.9 Ų114.976%0.76379%0.794SS**PPolyproline II helixtrans-56.9134.5177.100000110.9P463 A467P463-G465 PolarHBondContact O-N 2.98Å; G465-A467 PolarHBondContact O-N 2.98Å
466T50.9Low47.7Very low142 Ų142115.7 Ų115.787%0.87179%0.79SS**PPolyproline II helixtrans-55.9132176.547.70000110.3P464 G468P464-T466 PolarHBondContact O-N 2.86Å; T466-G468 PolarHBondContact O-N 3.19Å
467A44.1Very low48.3Very low100 Ų100114.1 Ų114.183%0.82679%0.792SS**PPolyproline II helixtrans-56.1124.1-177.100000111.4G465G465-A467 PolarHBondContact O-N 2.98Å
468G48.9Very low48.2Very low74 Ų74117.8 Ų117.876%0.76380%0.8SS**PPolyproline II helixtrans-64.5143.317400000111.3T466T466-G468 PolarHBondContact O-N 3.19Å
469E50Low48.2Very low197 Ų197117.6 Ų117.692%0.92180%0.799SS**PPolyproline II helixtrans-62.7148.1-173.2-66.4-170.6132.900113.3G471E469-G471 PolarHBondContact O-N 3.38Å
470K46.7Very low48.3Very low206 Ų206118 Ų11890%0.89680%0.803SS**  trans-68111.8-175.2-174.7179.9-176179.10110.9S472K470-S472 PolarHBondContact O-N 2.67Å
471G49.5Very low48.4Very low68 Ų68118.8 Ų118.870%0.70181%0.808SS**PPolyproline II helixtrans-54.4135.7172.700000112.6E469E469-G471 PolarHBondContact O-N 3.38Å
472S44.6Very low47.7Very low119 Ų119117.8 Ų117.883%0.83281%0.81SS**PPolyproline II helixtrans-68.3130.6-179.553.30000112.4K470K470-S472 PolarHBondContact O-N 2.67Å
473S42.4Very low47.5Very low117 Ų117118.6 Ų118.682%0.81882%0.818SS**PPolyproline II helixtrans-59.7137.6172.3-58.80000111.7
474G41.8Very low46.9Very low74 Ų74117.9 Ų117.976%0.76382%0.822SS**PPolyproline II helixtrans-72.7157.8-176.500000114.9
475I46.9Very low46.1Very low167 Ų167120.1 Ų120.186%0.85683%0.827SS**PPolyproline II helixtrans-93134.4172.6-58.2174.4000108.6
476P42.7Very low45.6Very low120 Ų120119.8 Ų119.878%0.77982%0.824SS**PPolyproline II helixtrans-67.2138.3-174.9-22.333.9000114.9
477G49Very low44.9Very low77 Ų77122.9 Ų122.979%0.79483%0.826SS**PPolyproline II helixtrans-82.9145.8164.800000112.1
478Q43.7Very low45.3Very low190 Ų190124.1 Ų124.189%0.88883%0.825SS**PPolyproline II helixtrans-77.5160.9-173-79.6-177.4-17.300114.6
479P47.9Very low44.9Very low127 Ų127124 Ų12483%0.82582%0.824SS**PPolyproline II helixtrans-69.7145.7-174.6-17.832.3000114.5
480G54.3Low44.7Very low67 Ų67122.8 Ų122.869%0.69182%0.822SS**PPolyproline II helixtrans-76147.5165.900000112.2
481P52Low45Very low138 Ų138119 Ų11990%0.89682%0.818SS**PPolyproline II helixtrans-73.3151-176.930.7-35.8000112.7
482A39.5Very low44.9Very low106 Ų106119.3 Ų119.388%0.87682%0.822SS**  trans-107.5139.8179.200000112.7
483G45.7Very low44.7Very low79 Ų79122.6 Ų122.681%0.81483%0.829SS**  trans103.3118.3148.500000118
484A39.1Very low44.6Very low105 Ų105129.1 Ų129.187%0.86884%0.836SS**  trans-160.8107.113600000109.7
485D40.5Very low44.7Very low175 Ų175128.9 Ų128.994%0.93683%0.834SS**  trans-87.8138.1171.6-102.6-40.7000111.6
486G37.7Very low44.1Very low67 Ų67129.2 Ų129.269%0.69184%0.836SS**  trans82.6121.3150.800000119.2
487K35.9Very low44.8Very low208 Ų208129.3 Ų129.390%0.90484%0.837SS**  -169.8158.295.2-98.6172.8-174.2179.10112.8
488P52.2Low44.5Very low125 Ų125129.3 Ų129.381%0.81284%0.836SS**  trans-98.8149.3-165.536.7-34.8000115.8
489G40.6Very low44.1Very low72 Ų72128.7 Ų128.774%0.74284%0.838SS**  trans94.7124.5141.100000119
490I45.6Very low44.4Very low171 Ų171128.6 Ų128.688%0.87784%0.838SS**  trans-144.4116.6143.7-49.9179.5000109.1
491P53.7Low43.7Very low126 Ų126128.8 Ų128.882%0.81884%0.84SS**  trans-87.4133.4169.8-10.728.4000113.5
492G46.9Very low43.5Very low76 Ų76128.1 Ų128.178%0.78484%0.836SS**  trans88.7117.3145.200000119.7
493L41.3Very low44.3Very low188 Ų188129.5 Ų129.598%0.98484%0.835SS**  trans-139.8151.1152.4-89.4175.3000110.6
494R40Very low44.1Very low254 Ų254129.5 Ų129.596%0.95884%0.836SS**  trans-137.7140.1-168174.2-173.1-179.9-173.71.8111
495G43.3Very low44.1Very low69 Ų69133.2 Ų133.271%0.71184%0.84SS**  trans113.8150.517100000113.3
496L35.5Very low44.3Very low173 Ų173134.2 Ų134.291%0.90684%0.836SS**  cis-140.2168.612.2-88.4169.8000111.9
497P55.6Low44.5Very low123 Ų123134.4 Ų134.480%0.79984%0.838SS**  trans-94.4163.2-160.937.2-37.4000116.5
498G43.1Very low44.5Very low76 Ų76129.4 Ų129.478%0.78484%0.835SS**  trans-121.2150.7168.700000112.4
499L35.5Very low44.6Very low177 Ų177133.6 Ų133.693%0.92784%0.835SS**  trans-82.1154.6-160-78.8158.9000116.1
500P54.3Low44.5Very low125 Ų125133.5 Ų133.581%0.81283%0.834SS**  trans-102.6165-17239.9-36.1000115.4
501G39.7Very low44.1Very low71 Ų71129.7 Ų129.773%0.73283%0.828SS**  trans164.7165155.100000113.6
502P48.4Very low44Very low125 Ų125130.4 Ų130.481%0.81283%0.825SS**  cis-110.7169.2-20.534.8-20.6000112.7
503P55.9Low43.9Very low134 Ų134129.6 Ų129.687%0.8782%0.817SS**  trans-83.5133.1-172.1-826.4000114.3
504G41.9Very low43.7Very low80 Ų80132.3 Ų132.383%0.82582%0.816SS**  trans-107.3113.2169.700000111.9
505L38.4Very low43.9Very low183 Ų183130.1 Ų130.196%0.95881%0.813SS**PPolyproline II helixtrans-47.6137-165.4-68.8160.3000117.7
506K44Very low44Very low195 Ų195130.4 Ų130.485%0.84882%0.816SS**PPolyproline II helixtrans-91.1118.1170.3-179.6177.7-176.8177.20110.7
507G42.1Very low43.8Very low71 Ų71131.9 Ų131.973%0.73282%0.818SS**PPolyproline II helixtrans-66.1142.2164.800000111.5
508A37.4Very low43.2Very low103 Ų103135.4 Ų135.485%0.85182%0.824SS**PPolyproline II helixtrans-75.8149.2-161.400000115.4
509R53.1Low43.4Very low213 Ų213135 Ų13580%0.80482%0.82SS**PPolyproline II helixtrans-80.4135.2160.9174.6-175.7179.6-176.5-0.4109D512R509-D512 IonicContact NH2-OD2 3.15Å; R509-D512 PolarHBondContact NH2-OD2 2.78Å; R509-D512 VanDerWaalsContact NH2-OD2 3.15Å
510G39.5Very low43.3Very low70 Ų70138.4 Ų138.472%0.72282%0.821SS**  trans-160.2153.4154.800000109.2
511A37.1Very low43Very low92 Ų92138.3 Ų138.376%0.7682%0.82SS**  cis-157.9145.6-23.400000106G513A511-G513 PolarHBondContact O-N 3.38Å
512D50.9Low43.4Very low141 Ų141138.4 Ų138.475%0.75482%0.821SS**  trans-79.5120.2-177.8-70.8-62.5000111.6R509R509-D512 IonicContact NH2-OD2 3.15Å; R509-D512 PolarHBondContact NH2-OD2 2.78Å; R509-D512 VanDerWaalsContact NH2-OD2 3.15Å
513G45.3Very low42.8Very low59 Ų59139.7 Ų139.761%0.60883%0.826SS**  trans91.3136.5161.900000117.2A511A511-G513 PolarHBondContact O-N 3.38Å
514Y36Very low42Very low245 Ų245142 Ų14296%0.96183%0.827SS**  -158.3153.4110.3-88.8-63.9000110.6
515K43.8Very low42.1Very low208 Ų208141.5 Ų141.590%0.90482%0.822SS**  trans-102.3103.9-175.1179.6-169.4179.4-176.70110.7
516G46.2Very low41.9Very low74 Ų74142.7 Ų142.776%0.76382%0.823SS**  trans72.7143.6151.800000118.7
517E32Very low41.8Very low204 Ų204144.9 Ų144.995%0.95383%0.826SS**  trans-146146.8145.2-134177.5-157.800110.2
518Q42.7Very low42Very low197 Ų197144.6 Ų144.692%0.92182%0.823SS**  trans-105.894.4-169.8-179.3-173.6-16.500111.5
519G46.3Very low42.2Very low69 Ų69148.4 Ų148.471%0.71183%0.826SS**  trans64159.1147.900000120.6
520R34.5Very low41.8Very low248 Ų248144.5 Ų144.594%0.93683%0.828SS**  trans-164.3161.4137.7-104.9166.2-163-112.62.9110.1
521P47.7Very low41.9Very low123 Ų123144.7 Ų144.780%0.79983%0.83SS**  trans-104.6155.9-14537.9-37.6000116.6
522G47.2Very low41.9Very low72 Ų72148.4 Ų148.474%0.74284%0.836SS**  92.6118.1123.200000118.9
523V35.8Very low41.8Very low152 Ų152147.6 Ų147.692%0.92184%0.839SS**  trans-135.3112.1144.7-1280000110.1
524M40.6Very low41.5Very low183 Ų183148.4 Ų148.490%0.90185%0.847SS**  trans-74143160.1164.9-170.271.900107.7
525G43Very low42Very low70 Ų70144.6 Ų144.672%0.72284%0.842SS**  cis150.9131.5-0.700000108.7
526E34.3Very low42.3Very low208 Ų208140.7 Ų140.797%0.97284%0.838SS**  trans-95.9142.6173.2-76.5-148.4135.700112.5
527R42.5Very low42.2Very low240 Ų240140.9 Ų140.991%0.90684%0.84SS**  trans-93.1107.6-165.6-179.5-172.8-62.61700.5110.6
528G45.5Very low42.8Very low66 Ų66140.5 Ų140.568%0.6884%0.838SS**PPolyproline II helixtrans-62144.1168.100000112.4
529M42Very low43Very low183 Ų183140.3 Ų140.390%0.90184%0.838SS**PPolyproline II helixtrans-68.5139.7179.8-63.9-177.1-70.200112.1G531M529-G531 PolarHBondContact O-N 3.32Å
530P44.5Very low43.1Very low130 Ų130140.4 Ų140.484%0.84484%0.838SS**PPolyproline II helixtrans-75.3120.4174.9-1731.7000113.9
531G41.6Very low43.3Very low74 Ų74138 Ų13876%0.76384%0.838SS**  trans73.4107132.700000120.5M529M529-G531 PolarHBondContact O-N 3.32Å
532L38.1Very low43.4Very low170 Ų170141.7 Ų141.789%0.8984%0.841SS**  trans-124.8133.7140.4-97.5162.2000108G534L532-G534 PolarHBondContact O-N 2.8Å
533P48Very low43.5Very low125 Ų125141.4 Ų141.481%0.81284%0.838SS**PPolyproline II helixtrans-64.2125.9-175.7-23.334.4000113.1
534G39.7Very low43.6Very low76 Ų76139.2 Ų139.278%0.78484%0.836SS**PPolyproline II helixtrans-75.9135.9172.600000112L532L532-G534 PolarHBondContact O-N 2.8Å
535L46Very low43.9Very low164 Ų164136.9 Ų136.986%0.85983%0.832SS**PPolyproline II helixtrans-66.5144.8174.7-76.1158.4000111.5G537L535-G537 PolarHBondContact O-N 3.19Å
536P50.4Low44Very low126 Ų126136.5 Ų136.582%0.81883%0.827SS**PPolyproline II helixtrans-56.7135.6173.1-25.535.2000112.6
537G43.9Very low44.1Very low78 Ų78134.7 Ų134.780%0.80482%0.823SS**PPolyproline II helixtrans-71.1146-170.900000114.8L535L535-G537 PolarHBondContact O-N 3.19Å
538Q44Very low45Very low197 Ų197129 Ų12992%0.92182%0.818SS**PPolyproline II helixtrans-77.1142168.8-70.9-175.1-900111.2G540Q538-G540 PolarHBondContact O-N 3.44Å
539Q46.9Very low45Very low193 Ų193129.5 Ų129.590%0.90282%0.822SS**PPolyproline II helixtrans-72.6117.6177.1180176.4-10.900110.5
540G48.2Very low45.1Very low70 Ų70129 Ų12972%0.72282%0.821SS**PPolyproline II helixtrans-72.3147.4178.200000113.6Q538Q538-G540 PolarHBondContact O-N 3.44Å
541E40.1Very low45.3Very low199 Ų199127.3 Ų127.393%0.9382%0.818SS**PPolyproline II helixtrans-70.5148.2178.3-64.4-174.1128.900112.4G543E541-G543 PolarHBondContact O-N 2.99Å
542K48.9Very low45.4Very low200 Ų200127.1 Ų127.187%0.8782%0.817SS**PPolyproline II helixtrans-80.4118.6-174.7-173.3178.6-179.5-178.70110.6
543G48.8Very low45.4Very low65 Ų65127.2 Ų127.267%0.6782%0.817SS**PPolyproline II helixtrans-59.9154.6177.100000114.3E541E541-G543 PolarHBondContact O-N 2.99Å
544A38.5Very low46Very low106 Ų106127.1 Ų127.188%0.87682%0.816SS**PPolyproline II helixtrans-63.7140.5-174.700000113.4
545V46.5Very low46.2Very low135 Ų135126.9 Ų126.982%0.81881%0.814SS**PPolyproline II helixtrans-78.6134.7168.7175.60000108.7
546G45.1Very low45.8Very low61 Ų61125.7 Ų125.763%0.62981%0.814SS**PPolyproline II helixtrans-64.7156.8-178.400000114.1
547L37.5Very low46.1Very low171 Ų171125.6 Ų125.690%0.89581%0.814SS**PPolyproline II helixtrans-59.2134.4178.1-74.7161.3000111.5
548P59.7Low46.1Very low121 Ų121125.8 Ų125.879%0.78682%0.815SS**PPolyproline II helixtrans-59.8139.6173.4-24.434.6000112.6
549G46.6Very low45.7Very low75 Ų75125.4 Ų125.477%0.77381%0.813SS**PPolyproline II helixtrans-65.4148.1176.300000112.9A551G549-A551 PolarHBondContact O-N 3.12Å
550I43.8Very low45.2Very low173 Ų173124.9 Ų124.989%0.88782%0.816SS**PPolyproline II helixtrans-63.9127.1-179.1-39.5175.3000109.5G552I550-G552 PolarHBondContact O-N 3.37Å
551A48.6Very low44.8Very low94 Ų94124.9 Ų124.978%0.77782%0.816SS**PPolyproline II helixtrans-68.3129.9177.400000111.1G549G549-A551 PolarHBondContact O-N 3.12Å
552G44.1Very low44.6Very low71 Ų71122.6 Ų122.673%0.73282%0.815SS**PPolyproline II helixtrans-68.5146.2179.500000113.2I550I550-G552 PolarHBondContact O-N 3.37Å
553L39Very low44.1Very low172 Ų172123.2 Ų123.290%0.90182%0.818SS**PPolyproline II helixtrans-63.6133.1177-74.3162.3000111.4
554P60.4Low43.8Very low122 Ų122123.5 Ų123.579%0.79282%0.821SS**PPolyproline II helixtrans-60.6137.3172-24.234.7000112.4
555G42.8Very low44.2Very low72 Ų72124.2 Ų124.274%0.74282%0.82SS**PPolyproline II helixtrans-68.6144.9-178.700000113.8P557G555-P557 WeakPolarHBondContact O-CD 3.44Å
556T38.3Very low43.9Very low138 Ų138125.8 Ų125.885%0.84782%0.822SS**PPolyproline II helixtrans-69.8123.2178.147.40000112.3
557P56.7Low44Very low125 Ų125125.6 Ų125.681%0.81282%0.82SS**PPolyproline II helixtrans-65.2138.1167.8-20.734.1000111.7G555G555-P557 WeakPolarHBondContact O-CD 3.44Å
558G43.1Very low44.2Very low81 Ų81123.4 Ų123.484%0.83582%0.816SS**PPolyproline II helixtrans-74.1150.7-177.100000114.5
559Q36.4Very low43.7Very low189 Ų189123.6 Ų123.688%0.88382%0.817SS**PPolyproline II helixtrans-86134.4173.8-72.5-178.1-26.300112.4
560L36.3Very low43.7Very low182 Ų182122.9 Ų122.995%0.95381%0.81SS**  -170.7134.8129.9-126.681.1000107.3
561G39.8Very low43.7Very low71 Ų71120.6 Ų120.673%0.73281%0.806SS**  cis168.8101.4-6.800000108.1
562V35.1Very low44Very low151 Ų151122.1 Ų122.192%0.91581%0.808SS**  trans-115.5122.3-179-159.70000110.3
563K39.4Very low44.1Very low212 Ų212121.9 Ų121.992%0.92281%0.806SS**  trans-73.5134.8-176.4175.6-176.7179.6179.60111.6
564G41.6Very low44.2Very low72 Ų72121.5 Ų121.574%0.74280%0.803SS**  trans114.8101.115900000115.2I566G564-I566 PolarHBondContact O-N 2.89Å
565S47.6Very low43.9Very low121 Ų121121.2 Ų121.285%0.84680%0.801SS**  trans-71.9119.7177.251.40000113.6
566I40.7Very low44.1Very low168 Ų168121 Ų12186%0.86280%0.798SS**  trans-132.8125.2146.5-63-176.4000105.9G564G564-I566 PolarHBondContact O-N 2.89Å
567G45.8Very low44.1Very low57 Ų57121.9 Ų121.959%0.58880%0.798SS**PPolyproline II helixtrans-66.7148.3-169.300000113.3
568P42.7Very low43.6Very low124 Ų124122.1 Ų122.181%0.80580%0.8SS**PPolyproline II helixtrans-61.3132.117126.6-32.9000109.5
569P49.8Very low43.6Very low126 Ų126121.5 Ų121.582%0.81879%0.794SS**PPolyproline II helixtrans-53.8150.2166.8-24.634.8000110.8
570G45.7Very low43.8Very low60 Ų60122.8 Ų122.862%0.61980%0.797SS**PPolyproline II helixtrans-54.9152.6177.900000112.2
571P44.7Very low44.3Very low124 Ų124120.2 Ų120.281%0.80579%0.791SS**PPolyproline II helixtrans-54135.6-18023.3-33.6000110.2G573P571-G573 PolarHBondContact O-N 2.98Å
572P54.8Low44.4Very low126 Ų126120.5 Ų120.582%0.81879%0.794SS**PPolyproline II helixtrans-52.2133.1174.2-26.734.8000110.5I574P572-I574 PolarHBondContact O-N 3.3Å
573G45.9Very low44.7Very low67 Ų67124.6 Ų124.669%0.69179%0.793SS**PPolyproline II helixtrans-55.6139.4176.500000110.8P571 P575P571-G573 PolarHBondContact O-N 2.98Å; G573-P575 WeakPolarHBondContact O-CD 3.41Å
574I40.6Very low44.7Very low164 Ų164122.7 Ų122.784%0.84179%0.793SS**PPolyproline II helixtrans-52.7124.7174.7-55.6168000107.6P572 G576P572-I574 PolarHBondContact O-N 3.3Å; I574-G576 PolarHBondContact O-N 2.65Å; I574-G576 VanDerWaalsContact O-N 3.07Å
575P54.6Low44.5Very low116 Ų116122.1 Ų122.175%0.75379%0.787SS**PPolyproline II helixtrans-56118174.2-25.935.3000109.8G573G573-P575 WeakPolarHBondContact O-CD 3.41Å
576G46Very low43.8Very low66 Ų66126.3 Ų126.368%0.6879%0.79SS**PPolyproline II helixtrans-62.113817800000110.7I574 P578I574-G576 PolarHBondContact O-N 2.65Å; I574-G576 VanDerWaalsContact O-N 3.07Å; G576-P578 VanDerWaalsContact O-CD 3.31Å; G576-P578 WeakPolarHBondContact O-CD 3.33Å
577N38.9Very low43.9Very low158 Ų158126.7 Ų126.785%0.84579%0.794SS**PPolyproline II helixtrans-52.6122.1177.1-69.8-24.7000110.8G579N577-G579 PolarHBondContact O-N 2.85Å
578P46.3Very low43.6Very low129 Ų129127.5 Ų127.584%0.83880%0.802SS**PPolyproline II helixtrans-59.2131.1164.2-22.435.1000109.8G576G576-P578 VanDerWaalsContact O-CD 3.31Å; G576-P578 WeakPolarHBondContact O-CD 3.33Å
579G42.7Very low43.4Very low69 Ų69130 Ų13071%0.71181%0.806SS**PPolyproline II helixtrans-70.8158.6-16900000115.2N577 P581N577-G579 PolarHBondContact O-N 2.85Å; G579-P581 WeakPolarHBondContact O-CD 3.36Å
580F40.9Very low42.9Very low216 Ų216133.1 Ų133.195%0.94781%0.81SS**PPolyproline II helixtrans-61.2131.4175.8-69.9-85.6000112.9
581P46.4Very low42.6Very low127 Ų127134 Ų13483%0.82582%0.819SS**PPolyproline II helixtrans-81.4118.4163.5-14.231.2000112.2G579G579-P581 WeakPolarHBondContact O-CD 3.36Å
582G41.4Very low42.9Very low77 Ų77133.1 Ų133.179%0.79482%0.816SS**  trans56.1100.5145.500000120.1
583R43.2Very low42Very low238 Ų238136 Ų13690%0.89882%0.818SS**  trans-77.2146.2137.4-87-176.6170.7-174.2-3108.4
584D38.4Very low41.6Very low172 Ų172135.7 Ų135.792%0.9282%0.815SS**  trans-174.4142.8132.2-88.5-26.2000108.7
585G37.2Very low42.2Very low60 Ų60137.5 Ų137.562%0.61982%0.82SS**  cis-174.2-174.1-4.200000109.9
586K33.6Very low41.4Very low209 Ų209142.3 Ų142.391%0.90983%0.829SS**  trans163118.9154.3-94.3162-168.6-175.90109.4
587D43Very low41.3Very low176 Ų176142.3 Ų142.394%0.94183%0.829SS**  trans-108.8150153.7-88.8-36.2000109.3
588G39.4Very low41.9Very low74 Ų74144.3 Ų144.376%0.76383%0.833SS**  trans116.591.9162.900000116.3
589I37.2Very low41.6Very low175 Ų175143.2 Ų143.290%0.89784%0.835SS**  trans-142.9132.3131.3-36.9174000108.5
590Q39Very low41.5Very low193 Ų193142.9 Ų142.990%0.90283%0.832SS**  trans-106.4140.1168.9172.8-175.8-16.800109.3
591G40.1Very low42.1Very low77 Ų77137.8 Ų137.879%0.79483%0.829SS**  trans149.4103.116500000115.1
592S51.3Low41.6Very low107 Ų107139 Ų13975%0.74883%0.834SS**  trans-89156163.662.80000109.3
593H36.7Very low41.5Very low185 Ų185137.9 Ų137.986%0.85682%0.822SS**  -169166.363.1-128.172.2000107.8
594G37.7Very low41.8Very low61 Ų61134.3 Ų134.363%0.62982%0.819SS**  cis-166.2-179.15.400000111.5
595Q52.3Low42Very low202 Ų202131.8 Ų131.894%0.94481%0.812SS**  trans-75.6143.9-168.3-66.1170.5-20.200114.6
596K38Very low42.2Very low217 Ų217131.8 Ų131.894%0.94381%0.812SS**  trans-159.5118.6156.1-169.9-179.7-175.1-177.50109.2
597G42.8Very low43.1Very low66 Ų66127.6 Ų127.668%0.6881%0.809SS**  cis-163.4162.4-10.100000109.4A599G597-A599 PolarHBondContact O-N 2.6Å
598E51.4Low42.8Very low200 Ų200127 Ų12794%0.93581%0.806SS**  trans-67.9116.4177.6-66.2178.7134.700110.7G600E598-G600 PolarHBondContact O-N 3.16Å
599A40Very low43Very low107 Ų107126.6 Ų126.688%0.88480%0.801SS**  trans-80.6108.4154.100000106.4G597G597-A599 PolarHBondContact O-N 2.6Å
600G42.3Very low43.3Very low62 Ų62130.2 Ų130.264%0.63980%0.804SS**  trans-74.5179.3-159.300000116.3E598 V602E598-G600 PolarHBondContact O-N 3.16Å; G600-V602 PolarHBondContact O-N 2.98Å; G600-V602 VanDerWaalsContact O-N 3.12Å
601A51.9Low43.3Very low108 Ų108129.9 Ų129.989%0.89380%0.802SS**  trans-61111.3173.800000111.7
602V36.2Very low43.9Very low154 Ų154128.7 Ų128.793%0.93379%0.791SS**  trans-113.4116152.2-179.90000105.3G600G600-V602 PolarHBondContact O-N 2.98Å; G600-V602 VanDerWaalsContact O-N 3.12Å
603G39.2Very low43.5Very low52 Ų52132.4 Ų132.454%0.53680%0.795SS.*  cis168.6139.7-2.600000105.3P605G603-P605 WeakPolarHBondContact O-CD 3.05Å
604I49.7Very low43.7Very low164 Ų164130 Ų13084%0.84180%0.796SS**  trans-61.7111.9-177.7-60.4170000108G606I604-G606 PolarHBondContact O-N 2.66Å
605P43.5Very low44.4Very low119 Ų119130.5 Ų130.577%0.77380%0.802SS**  trans-67.7125.7166.8-10.329.8000105.5G603G603-P605 WeakPolarHBondContact O-CD 3.05Å
606G41.6Very low44Very low59 Ų59127.8 Ų127.861%0.60880%0.799SS**  trans-58.8156.2-162.800000113.8I604 D608I604-G606 PolarHBondContact O-N 2.66Å; G606-D608 PolarHBondContact O-N 3.32Å
607S51Low44.4Very low122 Ų122123.6 Ų123.685%0.85379%0.794SS**  trans-63.288.215354.30000108.3G609S607-G609 PolarHBondContact O-N 2.62Å; S607-G609 VanDerWaalsContact O-N 3.12Å
608D38.4Very low44.6Very low163 Ų163124.2 Ų124.287%0.87280%0.8SS**  trans-58119.4164.9-90.4-20.3000107.5G606G606-D608 PolarHBondContact O-N 3.32Å
609G41.8Very low44.2Very low65 Ų65122.9 Ų122.967%0.6780%0.799SS**  trans-71.9178.5-163.800000113S607 Q611S607-G609 PolarHBondContact O-N 2.62Å; S607-G609 VanDerWaalsContact O-N 3.12Å; G609-Q611 PolarHBondContact O-N 3.42Å; G609-Q611 VanDerWaalsContact O-N 3.13Å
610R44.2Very low44.7Very low251 Ų251123.7 Ų123.795%0.94780%0.795SS**  trans-49.2125.4157.3-71.8-177.3172.5-159.8-2.5108.2G612R610-G612 PolarHBondContact O-N 2.99Å
611Q39.6Very low44.6Very low186 Ų186124.2 Ų124.287%0.86980%0.8SS**  trans-59.9103.1167.7-173.2176.97.100108.1G609G609-Q611 PolarHBondContact O-N 3.42Å; G609-Q611 VanDerWaalsContact O-N 3.13Å
612G52.7Low44Very low53 Ų53127 Ų12755%0.54680%0.8SS.*PPolyproline II helixtrans-65.2159.2165.100000110.1R610R610-G612 PolarHBondContact O-N 2.99Å
613H42.2Very low44.5Very low184 Ų184126 Ų12685%0.85280%0.8SS**SBendtrans-57.7147.1179.1-42.3-59.6000111G615H613-G615 PolarHBondContact O-N 3.36Å
614P42.1Very low44.5Very low134 Ų134127 Ų12787%0.8781%0.81SS**PPolyproline II helixtrans-56.5133.1-173.2-26.435000114.1
615G50.8Low43.9Very low73 Ų73128 Ų12875%0.75382%0.816SS**  trans-124.3155.9174.800000112H613H613-G615 PolarHBondContact O-N 3.36Å
616V45.4Very low44.1Very low145 Ų145130.5 Ų130.588%0.87982%0.823SS**  trans-82.2149.5-160.4-173.60000113.2
617P46.2Very low44Very low129 Ų129130.6 Ų130.684%0.83882%0.824SS**  trans-71.2159.8-170.9-20.934.5000117.2
618G47.2Very low43.4Very low79 Ų79134.6 Ų134.681%0.81483%0.829SS**  trans-140.1159.7173.800000113.4
619L42.1Very low43.9Very low172 Ų172137.1 Ų137.190%0.90183%0.832SS**  trans-84.1158.6-159.6-74.9159.7000116.3
620P49.8Very low44Very low123 Ų123137.2 Ų137.280%0.79983%0.834SS**  trans-85.1161.6-175.435.3-37000114.8
621G41.3Very low43.7Very low73 Ų73134.8 Ų134.875%0.75383%0.833SS**  trans-137.4151.6175.300000113.1
622N39.7Very low44.1Very low168 Ų168133.3 Ų133.390%0.89884%0.837SS**  trans-95.8161.6-162.8-62.9-25000115.3
623S46.2Very low43.4Very low133 Ų133134 Ų13493%0.9385%0.845SS**  trans-93.1151.9-179.5-45.50000114.9
624G39.4Very low43.2Very low72 Ų72134.5 Ų134.574%0.74285%0.847SS**  trans155.9155.5170.100000110.7
625L36.8Very low44Very low185 Ų185133.9 Ų133.997%0.96984%0.843SS**  cis-150.3172.6-3-93165.5000108.2
626N48Very low43.3Very low171 Ų171133.9 Ų133.991%0.91484%0.843SS**  trans-108.3150.5-173.4-164.816.9000114.1
627G39.9Very low43.6Very low61 Ų61132.7 Ų132.763%0.62984%0.838SS**  trans148.1155.8175.300000112.3
628Q37.4Very low43.3Very low207 Ų207136.6 Ų136.697%0.96784%0.842SS**  cis-145.7-173.6-4.8-72.8-173.6-16.200109.3
629K50.1Low43.1Very low215 Ų215136.4 Ų136.494%0.93584%0.84SS**  trans-120.2136.8-176-178.7-169.2178.5-170.20113.4
630G43.9Very low43.2Very low68 Ų68136.5 Ų136.570%0.70184%0.84SS**  trans166.4157.316800000109.7
631E37.6Very low42.9Very low199 Ų199139.6 Ų139.693%0.9384%0.841SS**  cis-146.9-163.6-3.6-71-170.4113.800109.7
632T48.1Very low42.8Very low155 Ų155139.8 Ų139.895%0.95184%0.843SS**  trans-137.3144.5-173.7-60.10000114
633G38.4Very low43.2Very low69 Ų69137 Ų13771%0.71184%0.837SS**  trans156.3156.1166.800000110.9
634E36.4Very low43.1Very low193 Ų193135.5 Ų135.590%0.90283%0.832SS**  cis-155.9159.8-9.9-97.1-106.3125.200107.4
635P58.8Low43.2Very low122 Ų122135.5 Ų135.579%0.79283%0.832SS**  trans-116.5148.7-16728.3-10.5000118.5
636G36.7Very low43.2Very low72 Ų72135 Ų13574%0.74283%0.829SS**  trans138.2173.7159.700000114.9
637P51.4Low43.5Very low121 Ų121132.6 Ų132.679%0.78682%0.823SS**  cis-139.7-174.3-16.442.1-24.7000115.3
638K40.8Very low43.8Very low210 Ų210133.3 Ų133.391%0.91383%0.83SS**  trans76.7146.9167.9-66.7179.3175.5176.30118.4
639G42.9Very low44.2Very low76 Ų76133 Ų13378%0.78483%0.829SS**  cis-167.1161.61.100000116.5
640I43Very low43.7Very low173 Ų173130.9 Ų130.989%0.88783%0.827SS**  trans-92.4163.4178.733.5168.6000111.1
641K43.9Very low43.8Very low188 Ų188130.7 Ų130.782%0.81783%0.825SS**  cis-165.2153.9-6.2159.6-178.1-179.9-177.40107
642G40.2Very low43.9Very low77 Ų77129.2 Ų129.279%0.79482%0.823SS**  trans-141.2125.9163.300000110.4
643S47.8Very low44.2Very low111 Ų111127.4 Ų127.478%0.77681%0.813SS**  trans-88.8136.2-17148.90000113.5
644A43.3Very low44.6Very low101 Ų101127.6 Ų127.684%0.83582%0.815SS**  trans-127.9128.5170.600000111.2
645G41.6Very low44.9Very low71 Ų71127.5 Ų127.573%0.73282%0.815SS**  trans57.1113.2155.500000119.6P647G645-P647 WeakPolarHBondContact O-CD 3.48Å
646L37.9Very low44.2Very low174 Ų174127.7 Ų127.791%0.91182%0.816SS**PPolyproline II helixtrans-66.6124.1155-76.2161.6000109.6
647P52.8Low44.7Very low121 Ų121128 Ų12879%0.78682%0.819SS**PPolyproline II helixtrans-67.4138.4157.8-14.331000109.1G645G645-P647 WeakPolarHBondContact O-CD 3.48Å
648G46.7Very low44.2Very low76 Ų76131.3 Ų131.378%0.78483%0.827SS**PPolyproline II helixtrans-66.9154.9-178.200000113.7
649E46.1Very low44.2Very low202 Ų202131.3 Ų131.394%0.94483%0.827SS**PPolyproline II helixtrans-59.4141.9176.6-108.6175.7140.900112.9G651E649-G651 PolarHBondContact O-N 3.28Å
650L38.6Very low44.5Very low169 Ų169130.6 Ų130.689%0.88582%0.82SS**  trans-76.6113.8173.7-175.175.2000109.6
651G46.9Very low44.7Very low65 Ų65128.8 Ų128.867%0.6782%0.819SS**PPolyproline II helixtrans-64.2134.9169.400000111.5E649E649-G651 PolarHBondContact O-N 3.28Å
652L39.2Very low45Very low168 Ų168126.8 Ų126.888%0.8882%0.822SS**PPolyproline II helixtrans-63140.7176.5-76165.7000111.4
653P53.9Low45.1Very low116 Ų116126 Ų12675%0.75381%0.814SS**PPolyproline II helixtrans-64.9142.6177.5-20.332.5000112.9
654G47.1Very low45.1Very low73 Ų73126.9 Ų126.975%0.75382%0.817SS**PPolyproline II helixtrans-71.7142.2165.800000111.6
655E43.5Very low45.1Very low192 Ų192131 Ų13190%0.89782%0.816SS**PPolyproline II helixtrans-66.2146.1-174.5-68.3-163.4139.300114G657E655-G657 PolarHBondContact O-N 3.26Å
656P45Very low45.5Very low126 Ų126131.1 Ų131.182%0.81882%0.818SS**PPolyproline II helixtrans-67.9121.8176.2-19.132.4000113.3M658P656-M658 PolarHBondContact O-N 3.02Å
657G46.5Very low45.5Very low78 Ų78129.3 Ų129.380%0.80481%0.809SS**PPolyproline II helixtrans-62.6126.4170.900000112.4E655E655-G657 PolarHBondContact O-N 3.26Å
658M40.1Very low45.1Very low190 Ų190132.2 Ų132.294%0.93681%0.809SS**PPolyproline II helixtrans-64.8141.8-172.4-65.8175.167.600113.8P656 G660P656-M658 PolarHBondContact O-N 3.02Å; M658-G660 PolarHBondContact O-N 3.16Å
659K41.2Very low44.9Very low210 Ų210132.1 Ų132.191%0.91381%0.809SS**  trans-78.2114.8177.8-160.1175.7-1701760110.7
660G49.2Very low44.4Very low62 Ų62130.2 Ų130.264%0.63980%0.8SS**PPolyproline II helixtrans-64.1149.2176.800000113.5M658M658-G660 PolarHBondContact O-N 3.16Å
661P47.2Very low44.3Very low134 Ų134128.4 Ų128.487%0.8780%0.801SS**PPolyproline II helixtrans-77159.2-17030.8-36.1000114.6
662V50.9Low43.8Very low146 Ų146128.6 Ų128.689%0.88580%0.803SS**PPolyproline II helixtrans-73.5131.9-175.9176.30000112.1
663G42.3Very low43.6Very low60 Ų60130.6 Ų130.662%0.61981%0.805SS**PPolyproline II helixtrans-97147.8167.200000112.6
664P47.8Very low43.1Very low131 Ų131131.2 Ų131.285%0.85181%0.809SS**PPolyproline II helixtrans-83.8160.3-162.432.8-37.2000116G666P664-G666 PolarHBondContact O-N 3.29Å
665K43.4Very low42.8Very low186 Ų186131.3 Ų131.381%0.80981%0.81SS**PPolyproline II helixtrans-66.4117.9178.7-179.7-177.9-179.5179.40112.7
666G49Very low42.2Very low74 Ų74130.3 Ų130.376%0.76381%0.807SS**PPolyproline II helixtrans-93.8140.5166.100000112.1P664P664-G666 PolarHBondContact O-N 3.29Å
667N37.2Very low41.8Very low137 Ų137135.2 Ų135.273%0.73381%0.809SS**PPolyproline II helixtrans-103.2138-174.3-75.7-35.1000113.8
668K45.4Very low41.4Very low181 Ų181134.4 Ų134.479%0.78780%0.801SS**  trans52.4117.4148.2-156.3-178-178.8-162.40120.1E670K668-E670 IonicContact NZ-OE1 3.42Å; K668-E670 PolarHBondContact NZ-OE1 3.03Å
669G43.2Very low41.3Very low75 Ų75131.4 Ų131.477%0.77380%0.798SS**  trans-142.7151.8153.400000109.3
670E34.5Very low41.1Very low162 Ų162131.1 Ų131.176%0.75780%0.801SS**  trans-95.8166.8-167-65.7177.8150.600114.4K668K668-E670 IonicContact NZ-OE1 3.42Å; K668-E670 PolarHBondContact NZ-OE1 3.03Å
671S36.6Very low40.6Very low131 Ų131131.5 Ų131.592%0.91680%0.804SS**  trans-9.8148173.9-610000121
672G37.5Very low40.4Very low69 Ų69133.8 Ų133.871%0.71181%0.808SS**  cis157.2166.8-1.700000113.8
673K34Very low39.8Very low209 Ų209134 Ų13491%0.90981%0.81SS**  trans64.1162.1178.3-55.7-178.4-179.71790116.6
674P43.9Very low39.8Very low130 Ų130134.2 Ų134.284%0.84481%0.812SS**  cis-117.2174.9-34.327.6-7.3000111.9
675G40.2Very low39.5Very low75 Ų75136.5 Ų136.577%0.77382%0.816SS**  trans-107.7-176.6-170.200000116.8
676M30.6Very low39.4Very low170 Ų170132.4 Ų132.484%0.83782%0.817SS**  trans-172.1153.5157.9-106.9-167.882.100112.6
677R36.2Very low39.1Very low230 Ų230132.3 Ų132.387%0.86882%0.816SS**  trans70.8144.3161.3-158.3-178-63.8-178.30.6116.7
678G38.8Very low39.4Very low61 Ų61135.1 Ų135.163%0.62983%0.825SS**  cis161.5115.6-11.300000113.7
679S38.3Very low39.7Very low126 Ų126132.5 Ų132.588%0.88183%0.827SS**  trans43.1118156.263.10000123
680Q36.8Very low39.7Very low205 Ų205132.4 Ų132.496%0.95883%0.826SS**  trans-166151.1138.9-160.5167.8100107.3
681G39Very low40Very low69 Ų69133 Ų13371%0.71183%0.834SS**  cis-174.3158.8-5.900000108.5
682L43Very low41Very low182 Ų182132.7 Ų132.795%0.95383%0.828SS**  trans-78.7131.3-160.4-69.5161000116.8
683V38.6Very low41.3Very low152 Ų152133 Ų13392%0.92183%0.832SS**  trans-153.4143.8148.6-173.70000105.8
684G41.9Very low41.7Very low64 Ų64131.9 Ų131.966%0.6683%0.83SS**  cis177.9154.2-6.300000108.9
685N40.6Very low42.2Very low178 Ų178131.4 Ų131.495%0.95283%0.827SS**PPolyproline II helixtrans-86.6134.3-168.6-68.2-15.5000114
686A41.8Very low42.4Very low100 Ų100131.2 Ų131.283%0.82683%0.825SS**PPolyproline II helixtrans-102.1151.2165.800000110.8
687G43.4Very low42.8Very low72 Ų72131.6 Ų131.674%0.74282%0.824SS**PPolyproline II helixtrans-75.3166.7-166.200000116.8
688E42.9Very low43.6Very low196 Ų196127 Ų12792%0.91682%0.824SS**PPolyproline II helixtrans-64.9130.1-177.8-65.8-17413800113.2
689P52.5Low43.7Very low126 Ų126127.6 Ų127.682%0.81883%0.831SS**PPolyproline II helixtrans-69.8141.3166.1-19.433.5000112.3
690G42.4Very low43.9Very low74 Ų74130.3 Ų130.376%0.76383%0.832SS**PPolyproline II helixtrans-69.4159.1-17800000115.4
691L41.6Very low44.5Very low175 Ų175126.8 Ų126.892%0.91683%0.827SS**PPolyproline II helixtrans-63.3137.3-177.5-71.2163.3000113.1
692P57.4Low44.5Very low123 Ų123127.2 Ų127.280%0.79983%0.831SS**PPolyproline II helixtrans-64.5142.4171.5-21.833.7000113.3
693G43.6Very low44.4Very low77 Ų77127.4 Ų127.479%0.79483%0.832SS**PPolyproline II helixtrans-71.8152.1178.200000114.1
694Q41.7Very low44.8Very low184 Ų184130.2 Ų130.286%0.8683%0.832SS**PPolyproline II helixtrans-73.2145.8-178.1-66.3-179.3-2.200112.8
695P55.3Low44.8Very low120 Ų120130.5 Ų130.578%0.77984%0.835SS**PPolyproline II helixtrans-65.4138.7173.7-21.633.9000113.7
696G43.5Very low44.7Very low72 Ų72128.1 Ų128.174%0.74283%0.832SS**PPolyproline II helixtrans-73.3157.8178.600000114.6
697H39.9Very low44.6Very low177 Ų177133.2 Ų133.282%0.81984%0.836SS**PPolyproline II helixtrans-83.7143.3-170.7-35.5-41.1000112.5
698P53Low44.5Very low133 Ų133133 Ų13386%0.86483%0.834SS**PPolyproline II helixtrans-67.9136.6175.9-2033.1000113.2
699G40.9Very low44.2Very low75 Ų75133.4 Ų133.477%0.77384%0.836SS**PPolyproline II helixtrans-80.5153.2178.100000114.4
700M41.4Very low43.9Very low182 Ų182138 Ų13890%0.89784%0.837SS**PPolyproline II helixtrans-70.9146.7178.1-74.3167.549.600113.2
701P49.4Very low43.6Very low132 Ų132138 Ų13886%0.85784%0.837SS**PPolyproline II helixtrans-68.5139.8174.9-19.232.8000113.8
702G39.3Very low43.6Very low78 Ų78136.1 Ų136.180%0.80483%0.827SS**PPolyproline II helixtrans-88.2155.6177.100000114.6
703L41.5Very low42.7Very low186 Ų186136.9 Ų136.997%0.97483%0.829SS**PPolyproline II helixtrans-73.3148.4-179-74.3159.7000113.3
704K46.4Very low42.7Very low210 Ų210137 Ų13791%0.91383%0.831SS**PPolyproline II helixtrans-84.4120.9-175.3-174.8175.7-178177.70112.1
705G42.2Very low42.4Very low70 Ų70136.4 Ų136.472%0.72283%0.828SS**PPolyproline II helixtrans-77.5160.5176.500000114.9
706S37.8Very low41.5Very low128 Ų128137.5 Ų137.590%0.89583%0.833SS**PPolyproline II helixtrans-82.8162.5-176.646.70000114.2
707K41.4Very low41.2Very low208 Ų208137.2 Ų137.290%0.90483%0.829SS**PPolyproline II helixtrans-82.8130.3-172.9-177.4-175.3-179.5-173.10111.8
708G40.4Very low41Very low68 Ų68135 Ų13570%0.70183%0.828SS**PPolyproline II helixtrans-87.1153.1169.900000113.4
709E37.3Very low40.2Very low204 Ų204136.6 Ų136.695%0.95383%0.826SS**PPolyproline II helixtrans-87.8170.8177.7-69.5-164.9127.200113.8
710R45.2Very low40.1Very low223 Ų223136.3 Ų136.384%0.84282%0.823SS**PPolyproline II helixtrans-89.5134.5-167.3176.6-172.2-66166.7-2.9112.5
711G37.2Very low39.9Very low74 Ų74133.5 Ų133.576%0.76382%0.816SS**  trans-106.6142.3157.600000111.3
712N41.6Very low39.3Very low134 Ų134136.2 Ų136.272%0.71781%0.814SS**  trans-100.9160.5178.8-64.9-34.5000111.5
713V38.6Very low39.3Very low139 Ų139135.7 Ų135.784%0.84281%0.809SS**  148136125.91670000111.3
714G42.5Very low39.1Very low80 Ų80133.8 Ų133.883%0.82580%0.8SS**  trans-172.986.3168.400000109.3
715E35.4Very low39.1Very low171 Ų171131.4 Ų131.480%0.79979%0.792SS**  trans-99.2163.4-179.3-79.5-169.6120.100113.1
716T36.6Very low38.9Very low144 Ų144131.4 Ų131.488%0.88379%0.792SS**  trans75.2136.9169.3-33.40000114.6
717G37Very low38.7Very low65 Ų65132 Ų13267%0.6778%0.781SS**  cis132.3147.77.400000109.3
718V35.1Very low38.8Very low131 Ų131127 Ų12779%0.79477%0.769SS**  cis-153.8136.24-92.20000107.8
719M36.8Very low38.6Very low167 Ų167127.5 Ų127.582%0.82378%0.775SS**  70.2129.985.2-159.6-178.573.500116V721M719-V721 HydrophobicContact CG-CG2 4.15Å
720G39.2Very low38.7Very low69 Ų69129.1 Ų129.171%0.71177%0.772SS**  trans167.141.9178.800000114.7
721V37.1Very low38.8Very low123 Ų123124.4 Ų124.475%0.74577%0.77SS**  26.9114.7108.8-81.10000118.1M719M719-V721 HydrophobicContact CG-CG2 4.15Å
722K37.5Very low39.1Very low189 Ų189124.1 Ų124.182%0.82277%0.768SS**  166.6114.9112.1-172170-175.9-174.30107.2
723G38.5Very low38.9Very low67 Ų67124.1 Ų124.169%0.69177%0.772SS**  98.7146.79400000109.1
724D38Very low39.1Very low146 Ų146123.3 Ų123.378%0.78177%0.77SS**  cis-133.9139.622.9-69-43.9000115
725Q45.2Very low38.9Very low160 Ų160123.2 Ų123.275%0.74877%0.769SS**  trans-42.6133.1154.6167.3-174.9-15.500113.7E727Q725-E727 HydrophobicContact CG-CG 4.43Å; Q725-E727 PolarHBondContact NE2-OE1 2.95Å
726G38.7Very low39.1Very low70 Ų70120.4 Ų120.472%0.72277%0.768SS**  trans-132.296.7146.100000106.7
727E34.4Very low40Very low141 Ų141119.4 Ų119.466%0.65976%0.764SS**  76.1137.186.5-78.4-68.9109.200113.1Q725Q725-E727 HydrophobicContact CG-CG 4.43Å; Q725-E727 PolarHBondContact NE2-OE1 2.95Å
728P42.7Very low40.2Very low101 Ų101120 Ų12066%0.65677%0.77SS**  -98.3123.4-128.2-10.330000114.6R730P728-R730 PolarHBondContact O-N 3.29Å
729G36.5Very low40.5Very low80 Ų80119.6 Ų119.683%0.82577%0.77SS**  trans-61.6115.416400000110.7
730R39.3Very low40.7Very low237 Ų237118 Ų11889%0.89477%0.77SS**  trans-66.3158.9-166.8-86.6-174.9170.9-132.7-2.3114.5P728 G732P728-R730 PolarHBondContact O-N 3.29Å; R730-G732 PolarHBondContact O-N 3.2Å
731P46.6Very low40.7Very low124 Ų124118.6 Ų118.681%0.80578%0.776SS**  trans-50.2109.1-139.6-34.737.1000116V733P731-V733 PolarHBondContact O-N 3.13Å; P731-V733 VanDerWaalsContact O-N 3.17Å
732G43.9Very low40.6Very low69 Ų69118.2 Ų118.271%0.71178%0.778SS**  trans-58.2117.1167.100000109.9R730R730-G732 PolarHBondContact O-N 3.2Å
733V38.3Very low40.6Very low133 Ų133119.4 Ų119.481%0.80678%0.783SS**  trans-36.7120.2173.3-1730000109.9P731 G735P731-V733 PolarHBondContact O-N 3.13Å; P731-V733 VanDerWaalsContact O-N 3.17Å; V733-G735 PolarHBondContact O-N 3.15Å
734P41.8Very low40.7Very low122 Ų122119.3 Ų119.379%0.79278%0.782SS**  trans-53.4110.7178.9-3036.7000111.2S736P734-S736 PolarHBondContact O-N 3.09Å; P734-S736 VanDerWaalsContact O-N 3.14Å
735G38.7Very low40.5Very low79 Ų79122.1 Ų122.181%0.81479%0.791SS**PPolyproline II helixtrans-58.2117.2177.200000109.4V733V733-G735 PolarHBondContact O-N 3.15Å
736S40.1Very low40.2Very low111 Ų111124.4 Ų124.478%0.77680%0.799SS**PPolyproline II helixtrans-73.3156.8-171.141.10000112.8P734P734-S736 PolarHBondContact O-N 3.09Å; P734-S736 VanDerWaalsContact O-N 3.14Å
737P54Low40.2Very low124 Ų124124.4 Ų124.481%0.80580%0.799SS**PPolyproline II helixtrans-73.4145-160.7-2034.4000115.1
738G41.5Very low40.1Very low76 Ų76125.1 Ų125.178%0.78481%0.812SS**PPolyproline II helixtrans-69.2130.616700000111.5
739P41.4Very low39.8Very low123 Ų123124.9 Ų124.980%0.79982%0.819SS**PPolyproline II helixtrans-85.6131.9-162.131-35.5000114.8
740V41.5Very low39.7Very low135 Ų135124.3 Ų124.382%0.81881%0.813SS**PPolyproline II helixtrans-60.2131.8143.5165.40000107.9S742V740-S742 PolarHBondContact O-N 3.03Å
741G40.2Very low39.9Very low81 Ų81120 Ų12084%0.83581%0.808SS**  trans-68.1102.1-17800000112.8
742S33.5Very low40Very low115 Ų115120.4 Ų120.480%0.80481%0.81SS**  trans-92.8144.4169.853.80000111.7V740 G744V740-S742 PolarHBondContact O-N 3.03Å; S742-G744 PolarHBondContact O-N 3.48Å
743K38.4Very low39.6Very low213 Ų213120.2 Ų120.293%0.92681%0.809SS**  trans-85.490.6-171.1-177.9-172176.5-178.20111.6
744G40.3Very low39.1Very low65 Ų65123.8 Ų123.867%0.6782%0.816SS**  trans70.3144156.300000117.8S742S742-G744 PolarHBondContact O-N 3.48Å
745E34.2Very low38.9Very low206 Ų206129.8 Ų129.896%0.96382%0.823SS**  trans-165.3170.6142-113.8167.9-168.300111.5
746K37.5Very low39.2Very low208 Ų208129.4 Ų129.490%0.90482%0.819SS**  trans-83.3129.8-166.1-165.3177.2-176.3-179.50110.8
747G40.5Very low39.1Very low70 Ų70130.2 Ų130.272%0.72282%0.822SS**  trans-84.6174.7-168.200000117.2
748T31.2Very low38.4Very low155 Ų155133.7 Ų133.795%0.95183%0.827SS**  trans-150.5171.8171.542.20000111.7
749A37.2Very low38.1Very low96 Ų96133.2 Ų133.279%0.79382%0.822SS**  trans-104.2177.5-158.900000116.8
750G34.6Very low37.6Very low68 Ų68137.4 Ų137.470%0.70183%0.831SS**  trans171.5112.9165.400000107.9
751D42Very low37.6Very low148 Ų148139.9 Ų139.979%0.79184%0.836SS**  cis69.7149.237.1-60.4-47000114.3
752P49.3Very low37.3Very low131 Ų131139.2 Ų139.285%0.85183%0.829SS**  cis-137166.28.237.2-18000118
753G35.2Very low37.1Very low66 Ų66145.5 Ų145.568%0.6884%0.835SS**  trans127.1119.8162.900000112.6
754H29.1Very low38Very low207 Ų207141.7 Ų141.796%0.95883%0.832SS**  cis-129.2171.729.5-73.8-102.3000114.1
755R36.2Very low37.6Very low249 Ų249142.5 Ų142.594%0.9484%0.841SS**  trans-106.1123.7-163.9-172.5-171.6-158.6-163.76.7114.4
756G46.1Very low37.5Very low71 Ų71141.7 Ų141.773%0.73284%0.837SS**  trans79.1149.6158.400000115.9
757P36.5Very low38.4Very low128 Ų128137.4 Ų137.483%0.83183%0.83SS**  cis-127.3171.62840.4-26.2000116.4
758E39.6Very low38.3Very low197 Ų197137.4 Ų137.492%0.92183%0.83SS**  trans-66.2158157-63.8172.4115.800109.9
759G36.4Very low38.3Very low65 Ų65139.6 Ų139.667%0.6783%0.83SS**  cis149155.73.600000108.7
760Q30.5Very low38.9Very low211 Ų211141.3 Ų141.399%0.98684%0.836SS**  trans-169.1159158.2-115.9170.759.500114.1
761M41.8Very low38.9Very low187 Ų187141.5 Ų141.592%0.92184%0.838SS**  trans-128.4142.3-171.7-176.4-162.5-52.200111
762G33.3Very low38.6Very low68 Ų68140.7 Ų140.770%0.70184%0.84SS**  trans122.7151.3173.800000112.4
763R29.1Very low38.8Very low246 Ų246140.8 Ų140.893%0.92884%0.844SS**  cis-151.2167.61.2-93.7-173.8177.8-165.50.5109.2
764P57.7Low38.7Very low133 Ų133141.1 Ų141.186%0.86485%0.848SS**  trans-86.5154.3-178.233.7-34.1000114.4
765G31Very low39Very low82 Ų82137.5 Ų137.585%0.84584%0.843SS**  trans-179140.7172.800000115.5
766Q33.7Very low39.8Very low190 Ų190134.9 Ų134.989%0.88884%0.841SS**  trans-85.3-164.1177.1-66.1177.5-14.600112.2
767P55.1Low39.5Very low117 Ų117134.8 Ų134.876%0.7684%0.841SS**  cis-131.3165-47.728.2-9.9000115
768G39.5Very low39.6Very low70 Ų70135.8 Ų135.872%0.72284%0.844SS**  trans87.5136.6136.600000120.2
769Q30.2Very low40.1Very low202 Ų202136.8 Ų136.894%0.94484%0.839SS**  -179.7155.4106.6-92.5-176.830.100111
770S50.3Low40.2Very low131 Ų131136.9 Ų136.992%0.91684%0.84SS**  trans-103.3148.8-174.3-530000113
771G33.9Very low40.6Very low72 Ų72134.2 Ų134.274%0.74283%0.833SS**  trans146.5164.7155.500000114.3
772P35.4Very low40.9Very low131 Ų131131.5 Ų131.585%0.85183%0.827SS**  cis-110.4168.2-11.638.8-28.1000112.8
773S53.3Low41.4Very low133 Ų133131 Ų13193%0.9382%0.821SS**  trans-102.7139171.6-65.70000112.2
774G33.5Very low42.2Very low73 Ų73125 Ų12575%0.75382%0.815SS**  trans155.1161.5162.800000113.5
775P36.2Very low42Very low132 Ų132124.9 Ų124.986%0.85781%0.814SS**  cis-103.7165-5.438-29.7000113.3
776Q53.3Low42.6Very low193 Ų193123.9 Ų123.990%0.90280%0.803SS**  trans-85.2115-179.2-175.6176.1-7.800111.6
777G38.5Very low43.2Very low70 Ų70120.7 Ų120.772%0.72280%0.799SS**PPolyproline II helixtrans-78.2141.7170.500000112.2
778V39.8Very low43.2Very low148 Ų148121.2 Ų121.290%0.89780%0.802SS**PPolyproline II helixtrans-73.7144.4-166.3-152.50000112.8G780V778-G780 PolarHBondContact O-N 3.34Å
779R50.6Low43.2Very low219 Ų219120.8 Ų120.883%0.82680%0.798SS**PPolyproline II helixtrans-64.2118.9175-172.5-175.7-158.3162.74.7110.6
780G38.1Very low43.6Very low67 Ų67117.6 Ų117.669%0.69179%0.794SS**PPolyproline II helixtrans-81139.416300000110.5V778V778-G780 PolarHBondContact O-N 3.34Å
781D39.1Very low43.2Very low154 Ų154120.1 Ų120.182%0.82479%0.792SS**PPolyproline II helixtrans-70.6145.5-172.9-66.6-56.8000113.8G783D781-G783 PolarHBondContact O-N 3.4Å
782T47Very low43.6Very low131 Ų131120.6 Ų120.680%0.80480%0.796SS**  trans-70112176.9-46.90000110.2
783G43.8Very low43.6Very low56 Ų56126 Ų12658%0.57780%0.8SS**PPolyproline II helixtrans-61.9142.8166.800000111.2D781D781-G783 PolarHBondContact O-N 3.4Å
784P46.5Very low42.7Very low122 Ų122124.1 Ų124.179%0.79279%0.787SS**PPolyproline II helixtrans-63.5149.5-179.226.5-34.4000111.6G786P784-G786 PolarHBondContact O-N 3.01Å
785P53Low43Very low130 Ų130127.5 Ų127.584%0.84479%0.793SS**PPolyproline II helixtrans-56.8132.3176.3-2433.9000112
786G44.8Very low43.1Very low61 Ų61128.1 Ų128.163%0.62979%0.789SS**PPolyproline II helixtrans-65.7147.2169.600000111.1P784P784-G786 PolarHBondContact O-N 3.01Å
787P45.6Very low42.8Very low122 Ų122128.2 Ų128.279%0.79279%0.789SS**PPolyproline II helixtrans-63.4145.3177.726.9-34.1000111.1G789P787-G789 PolarHBondContact O-N 3.45Å
788P54.8Low43.3Very low129 Ų129130.3 Ų130.384%0.83878%0.782SS**PPolyproline II helixtrans-56.8137.8175.6-24.834.4000112.4
789G39.2Very low44.7Very low60 Ų60126.5 Ų126.562%0.61976%0.762SS**PPolyproline II helixtrans-69.6151.7171.100000111.7P787 E791P787-G789 PolarHBondContact O-N 3.45Å; G789-E791 PolarHBondContact O-N 2.81Å
790P39Very low45.2Very low135 Ų135120.9 Ų120.988%0.87775%0.748SS**PPolyproline II helixtrans-70.2123.2179.528.3-33.6000111.2
791E41Very low46.1Very low185 Ų185121.6 Ų121.686%0.86474%0.743SS**PPolyproline II helixtrans-70.1140.9173-65.8-177.7148.300111.4G789 R793G789-E791 PolarHBondContact O-N 2.81Å; E791-R793 PolarHBondContact O-N 3.03Å
792G42.6Very low47.3Very low81 Ų81119.6 Ų119.684%0.83573%0.728SS**PPolyproline II helixtrans-68.7122.6174.100000111.1S794G792-S794 PolarHBondContact O-N 3.39Å
793R35.3Very low48.2Very low245 Ų245116.7 Ų116.793%0.92571%0.707SS**PPolyproline II helixtrans-80.3117177-79.8-174.7173-179.4-2.6111.7E791E791-R793 PolarHBondContact O-N 3.03Å
794S35.8Very low49.2Very low93 Ų93121.4 Ų121.465%0.6571%0.708SS**PPolyproline II helixtrans-59.3147.7151.149.30000110.3G792 N796G792-S794 PolarHBondContact O-N 3.39Å; S794-N796 PolarHBondContact O-N 3.19Å; S794-N796 VanDerWaalsContact O-N 3.11Å
795T39.2Very low50Low144 Ų144119.6 Ų119.688%0.88369%0.688SS**  trans-66.5105.5169470000109.5
796N39.1Very low50.8Low146 Ų146116.9 Ų116.978%0.78167%0.666SS**  trans-133.3141.7165.6-96.2-16.5000108.7S794S794-N796 PolarHBondContact O-N 3.19Å; S794-N796 VanDerWaalsContact O-N 3.11Å
797E47.1Very low51.7Low194 Ų194117.1 Ų117.191%0.90766%0.657SS**PPolyproline II helixtrans-61.6142.5-175.1-60.9168.3140.400111.4S799E797-S799 PolarHBondContact O-N 3.23Å
798M48.7Very low52.7Low114 Ų114117.1 Ų117.156%0.56264%0.641SS**PPolyproline II helixtrans-68.4124.8173.7-76179.57000109.7I803 I806M798-I803 HydrophobicContact CB-CD1 4.09Å; M798-I803 HydrophobicContact CB-CG1 4.07Å; M798-I803 HydrophobicContact CE-CG1 4.09Å; M798-I806 HydrophobicContact CE-CD1 3.83Å
799S67.9Low53.3Low69 Ų69115 Ų11548%0.48362%0.623SS.*PPolyproline II helixtrans-66.2141.2176.159.60000111.6E797 S801 H802 I803E797-S799 PolarHBondContact O-N 3.23Å; S799-S801 PolarHBondContact O-N 2.63Å; S799-S801 PolarHBondContact OG-OG 3.05Å; S799-H802 WeakPolarHBondContact O-CB 3.29Å; S799-H802 PolarHBondContact O-N 2.88Å; S799-I803 PolarHBondContact O-N 2.94Å
800D62.3Low54.5Low100 Ų100116.7 Ų116.754%0.53562%0.617SS.*Hα-helixtrans-50.4-32.3-179.3-129.748000113.2R804D800-R804 VanDerWaalsContact O-CB 3.31Å; D800-R804 WeakPolarHBondContact O-CB 3.3Å; D800-R804 WeakPolarHBondContact O-CD 3.42Å; D800-R804 WeakPolarHBondContact O-CG 3.07Å; D800-R804 PolarHBondContact O-N 3.49Å; D800-R804 IonicContact OD2-CZ 3.46Å; D800-R804 IonicContact OD2-NE 2.67Å; D800-R804 PolarHBondContact OD2-NE 3.29Å; D800-R804 VanDerWaalsContact OD2-NE 3.11Å; D800-R804 IonicContact OD2-NH2 2.67Å; D800-R804 PolarHBondContact OD2-NH2 3.35Å
801S57.1Low55.4Low83 Ų83115.4 Ų115.458%0.5860%0.602SS**Hα-helixtrans-66.5-35.3176.453.50000113.5S799 Q805S799-S801 PolarHBondContact O-N 2.63Å; S799-S801 PolarHBondContact OG-OG 3.05Å; S801-Q805 PolarHBondContact O-N 3.31Å
802H63.2Low56.3Low111 Ų111115.6 Ų115.651%0.51460%0.595SS.*Hα-helixtrans-76.3-40179.3-15689.6000111.1S799 Q805 I806S799-H802 WeakPolarHBondContact O-CB 3.29Å; S799-H802 PolarHBondContact O-N 2.88Å; H802-Q805 WeakPolarHBondContact O-CB 3.5Å; H802-Q805 PolarHBondContact O-N 3.06Å; H802-Q805 VanDerWaalsContact O-N 3.15Å; H802-I806 PolarHBondContact O-N 3.43Å; H802-I806 VanDerWaalsContact O-N 3.09Å
803I66.9Low57.1Low71 Ų71114.8 Ų114.836%0.36458%0.576SS.*Hα-helixtrans-61.4-47.7173.4-58.8174.3000110.1M798 S799 Q805 I806 C807M798-I803 HydrophobicContact CB-CD1 4.09Å; M798-I803 HydrophobicContact CB-CG1 4.07Å; M798-I803 HydrophobicContact CE-CG1 4.09Å; S799-I803 PolarHBondContact O-N 2.94Å; I803-Q805 PolarHBondContact O-N 2.85Å; I803-Q805 VanDerWaalsContact O-N 3.16Å; I803-I806 PolarHBondContact O-N 2.86Å; I803-C807 PolarHBondContact O-N 3.12Å; I803-C807 PolarHBondContact O-SG 2.98Å
804R64.2Low58Low155 Ų155107.4 Ų107.459%0.58555%0.553SS**Hα-helixtrans-65.5-12.7175.4-71.1168.9-167.4-87.5-1.9114.7D800 R808D800-R804 VanDerWaalsContact O-CB 3.31Å; D800-R804 WeakPolarHBondContact O-CB 3.3Å; D800-R804 WeakPolarHBondContact O-CD 3.42Å; D800-R804 WeakPolarHBondContact O-CG 3.07Å; D800-R804 PolarHBondContact O-N 3.49Å; D800-R804 IonicContact OD2-CZ 3.46Å; D800-R804 IonicContact OD2-NE 2.67Å; D800-R804 PolarHBondContact OD2-NE 3.29Å; D800-R804 VanDerWaalsContact OD2-NE 3.11Å; D800-R804 IonicContact OD2-NH2 2.67Å; D800-R804 PolarHBondContact OD2-NH2 3.35Å; R804-R808 WeakPolarHBondContact O-CB 3.2Å; R804-R808 PolarHBondContact O-NE 3.36Å; R804-R808 PolarHBondContact O-NH2 3.12Å
805Q62.3Low58.7Low84 Ų84107.2 Ų107.239%0.39354%0.544SS..Hα-helixtrans-86.7-51.2173.3-166.464.626.600109.6S801 H802 I803 C807 R808 D809S801-Q805 PolarHBondContact O-N 3.31Å; H802-Q805 WeakPolarHBondContact O-CB 3.5Å; H802-Q805 PolarHBondContact O-N 3.06Å; H802-Q805 VanDerWaalsContact O-N 3.15Å; I803-Q805 PolarHBondContact O-N 2.85Å; I803-Q805 VanDerWaalsContact O-N 3.16Å; Q805-C807 PolarHBondContact O-N 2.99Å; Q805-R808 WeakPolarHBondContact O-CA 3.14Å; Q805-R808 WeakPolarHBondContact O-CB 3.5Å; Q805-R808 PolarHBondContact O-N 3.35Å; Q805-D809 PolarHBondContact O-N 3.38Å
806I70.2Confident59.5Low73 Ų73104 Ų10437%0.37453%0.526SS..Hα-helixtrans-55.6-47.5176.4-66.5166.6000111.3M798 H802 I803 R808 D809 I810M798-I806 HydrophobicContact CE-CD1 3.83Å; H802-I806 PolarHBondContact O-N 3.43Å; H802-I806 VanDerWaalsContact O-N 3.09Å; I803-I806 PolarHBondContact O-N 2.86Å; I806-R808 PolarHBondContact O-N 3.37Å; I806-D809 PolarHBondContact O-N 3.45Å; I806-I810 HydrophobicContact CG2-CD1 3.76Å; I806-I810 WeakPolarHBondContact O-CG1 3.14Å; I806-I810 PolarHBondContact O-N 2.75Å
807C63.8Low60.2Low66 Ų66102.8 Ų102.845%0.44652%0.518SS..Hα-helixtrans-61.3-31.1176.4-67.30000113.3I803 Q805 L811I803-C807 PolarHBondContact O-N 3.12Å; I803-C807 PolarHBondContact O-SG 2.98Å; Q805-C807 PolarHBondContact O-N 2.99Å; C807-L811 VanDerWaalsContact O-CB 3.31Å; C807-L811 WeakPolarHBondContact O-CB 3.4Å; C807-L811 WeakPolarHBondContact O-CD1 3.46Å; C807-L811 VanDerWaalsContact O-CG 3.24Å; C807-L811 WeakPolarHBondContact O-CG 3.49Å; C807-L811 PolarHBondContact O-N 3.31Å
808R67.9Low60.2Low121 Ų12199.3 Ų99.346%0.45751%0.505SS..Hα-helixtrans-78.2-31.7-178.6-152.4-176-48.7150.419.7112.2R804 Q805 I806 R812R804-R808 WeakPolarHBondContact O-CB 3.2Å; R804-R808 PolarHBondContact O-NE 3.36Å; R804-R808 PolarHBondContact O-NH2 3.12Å; Q805-R808 WeakPolarHBondContact O-CA 3.14Å; Q805-R808 WeakPolarHBondContact O-CB 3.5Å; Q805-R808 PolarHBondContact O-N 3.35Å; I806-R808 PolarHBondContact O-N 3.37Å; R808-R812 WeakPolarHBondContact O-CB 3.42Å; R808-R812 PolarHBondContact O-N 3Å; R808-R812 VanDerWaalsContact O-N 3.13Å
809D65.7Low60Low84 Ų84100.6 Ų100.645%0.44951%0.514SS..Hα-helixtrans-77.9-39178-63.5-25.7000110.6Q805 I806 R812 S813Q805-D809 PolarHBondContact O-N 3.38Å; I806-D809 PolarHBondContact O-N 3.45Å; D809-R812 WeakPolarHBondContact O-CB 3.36Å; D809-R812 PolarHBondContact O-N 3.35Å; D809-S813 PolarHBondContact O-N 3.26Å; D809-S813 VanDerWaalsContact O-N 3.08Å
810I64.7Low59.1Low97 Ų97104.2 Ų104.250%0.49753%0.527SS..Hα-helixtrans-63.2-46.8170-65.4168.2000111.3I806 R812 S813 E814I806-I810 HydrophobicContact CG2-CD1 3.76Å; I806-I810 WeakPolarHBondContact O-CG1 3.14Å; I806-I810 PolarHBondContact O-N 2.75Å; I810-R812 PolarHBondContact O-N 2.65Å; I810-S813 PolarHBondContact O-N 2.85Å; I810-S813 VanDerWaalsContact O-N 3.15Å; I810-S813 PolarHBondContact O-OG 3.22Å; I810-E814 HydrophobicContact CG2-CG 4.33Å; I810-E814 PolarHBondContact O-N 3.02Å; I810-E814 VanDerWaalsContact O-N 3.07Å
811L59.1Low58.1Low107 Ų107104.2 Ų104.256%0.5654%0.535SS*.Hα-helixtrans-61.6-28.2175.5-78.1167.4000112.3C807 L815C807-L811 VanDerWaalsContact O-CB 3.31Å; C807-L811 WeakPolarHBondContact O-CB 3.4Å; C807-L811 WeakPolarHBondContact O-CD1 3.46Å; C807-L811 VanDerWaalsContact O-CG 3.24Å; C807-L811 WeakPolarHBondContact O-CG 3.49Å; C807-L811 PolarHBondContact O-N 3.31Å; L811-L815 HydrophobicContact CB-CD1 4.42Å; L811-L815 HydrophobicContact CD2-CD1 3.92Å; L811-L815 WeakPolarHBondContact O-CB 3.31Å; L811-L815 WeakPolarHBondContact O-CD1 3.46Å; L811-L815 PolarHBondContact O-N 3.05Å
812R58.8Low57.4Low189 Ų189107.7 Ų107.771%0.71355%0.547SS*.Hα-helixtrans-75.9-30.8175-101.1-171.3164.4104.10.5114R808 D809 I810R808-R812 WeakPolarHBondContact O-CB 3.42Å; R808-R812 PolarHBondContact O-N 3Å; R808-R812 VanDerWaalsContact O-N 3.13Å; D809-R812 WeakPolarHBondContact O-CB 3.36Å; D809-R812 PolarHBondContact O-N 3.35Å; I810-R812 PolarHBondContact O-N 2.65Å
813S59.1Low56.2Low64 Ų64110.2 Ų110.245%0.44856%0.559SS.*Hα-helixtrans-77-40.1176.264.60000112.1D809 I810D809-S813 PolarHBondContact O-N 3.26Å; D809-S813 VanDerWaalsContact O-N 3.08Å; I810-S813 PolarHBondContact O-N 2.85Å; I810-S813 VanDerWaalsContact O-N 3.15Å; I810-S813 PolarHBondContact O-OG 3.22Å
814E54.1Low54.6Low91 Ų91115.5 Ų115.543%0.42558%0.582SS.*Hα-helixtrans-91.5-25.2-169.8-55.9-44.3121.100115.3I810 P816 L817 L818I810-E814 HydrophobicContact CG2-CG 4.33Å; I810-E814 PolarHBondContact O-N 3.02Å; I810-E814 VanDerWaalsContact O-N 3.07Å; E814-P816 VanDerWaalsContact C-CD 3.48Å; E814-L817 PolarHBondContact O-N 3.38Å; E814-L818 PolarHBondContact O-N 2.89Å
815L51.9Low53.1Low88 Ų88113.7 Ų113.746%0.46159%0.593SS.*Hα-helixtrans-55.5-41.5-177.6-118.883000115.1L811 L817 L818 L819L811-L815 HydrophobicContact CB-CD1 4.42Å; L811-L815 HydrophobicContact CD2-CD1 3.92Å; L811-L815 WeakPolarHBondContact O-CB 3.31Å; L811-L815 WeakPolarHBondContact O-CD1 3.46Å; L811-L815 PolarHBondContact O-N 3.05Å; L815-L817 VanDerWaalsContact C-N 3.26Å; L815-L817 PolarHBondContact O-N 2.68Å; L815-L818 PolarHBondContact O-N 3.11Å; L815-L819 PolarHBondContact O-N 3.44Å
816P54.5Low51.7Low78 Ų78114.7 Ų114.751%0.50661%0.61SS.*Hα-helixtrans-64.2-29.8-179.3-2435.5000113.5E814E814-P816 VanDerWaalsContact C-CD 3.48Å
817L54.1Low49.8Very low119 Ų119117.2 Ų117.262%0.62363%0.632SS**Hα-helixtrans-77-36.3177.7-67.5169.8000111.4E814 L815 L819 L820E814-L817 PolarHBondContact O-N 3.38Å; L815-L817 VanDerWaalsContact C-N 3.26Å; L815-L817 PolarHBondContact O-N 2.68Å; L817-L819 VanDerWaalsContact C-N 3.28Å; L817-L819 PolarHBondContact O-N 3.45Å; L817-L820 PolarHBondContact O-N 3.05Å
818L46.9Very low48.4Very low122 Ų122120.7 Ų120.764%0.63965%0.652SS**Hα-helixtrans-68.1-21177-78.9161.6000114.4E814 L815E814-L818 PolarHBondContact O-N 2.89Å; L815-L818 PolarHBondContact O-N 3.11Å
819L45.5Very low46.9Very low140 Ų140126.1 Ų126.173%0.73367%0.672SS**THydrogen-bonded Turntrans-85.5-10.7179.3-76.5167.6000114.4L815 L817L815-L819 PolarHBondContact O-N 3.44Å; L817-L819 VanDerWaalsContact C-N 3.28Å; L817-L819 PolarHBondContact O-N 3.45Å
820L48.1Very low45Very low146 Ų146128.4 Ų128.476%0.76469%0.693SS**SBendtrans-97-9.4-175.5-87.9156000114.7L817L817-L820 PolarHBondContact O-N 3.05Å
821S42.3Very low44Very low100 Ų100133.6 Ų133.670%0.69972%0.715SS**SBendtrans-89.2-6.4-174.767.80000115.7Q823S821-Q823 PolarHBondContact O-N 3.45Å
822N42.6Very low42.6Very low156 Ų156132.2 Ų132.283%0.83473%0.727SS**  trans-96.551.6-176.2-154.56000113.7
823Q37.7Very low41.4Very low163 Ų163132.5 Ų132.576%0.76274%0.736SS**  trans-132.9120.3162.3-77.1-159.87.700112.4S821S821-Q823 PolarHBondContact O-N 3.45Å
824Q34Very low40.3Very low182 Ų182135.4 Ų135.485%0.8575%0.754SS**  trans87.1111.3154.1-61.9176.4-0.400120.8
825S31Very low39.4Very low117 Ų117134.7 Ų134.782%0.81877%0.771SS**  -145.7151.3127.666.10000107.3
826S34.3Very low38.8Very low106 Ų106136 Ų13674%0.74179%0.787SS**  cis-160.9174.5-16.861.50000108.9
827C29.1Very low38.4Very low126 Ų126138.6 Ų138.685%0.85180%0.804SS**  trans144.2142.4139.4-90.30000114.2
828T34.3Very low37.6Very low139 Ų139136.4 Ų136.485%0.85381%0.811SS**  trans-108.8126.4-174.9-21.20000112.1
829R36.5Very low37.4Very low234 Ų234135.5 Ų135.588%0.88382%0.821SS**  trans68.3110.3146.4-162179.1-157.31685.8120.2
830C27.2Very low37.3Very low132 Ų132138.3 Ų138.389%0.89283%0.83SS**  -164.7152.5123.5-108.80000111
831Q42.5Very low37Very low206 Ų206134.2 Ų134.296%0.96382%0.823SS**  trans-88146.4179.7-74.3173.5-46.700111.9
832G30.5Very low37.2Very low78 Ų78135.7 Ų135.780%0.80483%0.83SS**  trans-168.7143.7172.100000111.7
833Q32.9Very low37.5Very low195 Ų195133.2 Ų133.291%0.91183%0.831SS**PPolyproline II helixtrans-82.4165.3-173.6-97.5-176.4-14.100113.9
834P37.4Very low37.7Very low126 Ų126128.5 Ų128.582%0.81883%0.826SS**PPolyproline II helixtrans-77.9136.9-163.529.5-34.8000114.8
835G33.4Very low38.1Very low76 Ų76126.1 Ų126.178%0.78483%0.827SS**PPolyproline II helixtrans-88.6161.9168.300000113.2
836S40.1Very low38.9Very low114 Ų114129.8 Ų129.880%0.79783%0.831SS**PPolyproline II helixtrans-68.1160-173.3450000114.8G838S836-G838 PolarHBondContact O-N 3.3Å
837P45.5Very low39.1Very low133 Ų133128.6 Ų128.686%0.86484%0.835SS**PPolyproline II helixtrans-58.2129.5-178.9-24.834.7000113.5
838G37.2Very low39.6Very low74 Ų74131.2 Ų131.276%0.76384%0.84SS**PPolyproline II helixtrans-69.9155.2171.900000112.8S836S836-G838 PolarHBondContact O-N 3.3Å
839A43.4Very low40.1Very low103 Ų103136.3 Ų136.385%0.85184%0.844SS**PPolyproline II helixtrans-64154.4-175.500000113.7G841A839-G841 PolarHBondContact O-N 3.48Å
840Q42.9Very low40Very low198 Ų198128.6 Ų128.693%0.92584%0.837SS**PPolyproline II helixtrans-59.9131.3-179.3-165.717418.200111.6
841G42.7Very low40.7Very low60 Ų60130.5 Ų130.562%0.61984%0.837SS**PPolyproline II helixtrans-65.8153.1-177.600000113.7A839A839-G841 PolarHBondContact O-N 3.48Å
842P45.1Very low40.5Very low132 Ų132126.2 Ų126.286%0.85783%0.828SS**PPolyproline II helixtrans-66150.9-179.128-35000112.5
843A50.4Low40.9Very low103 Ų103126 Ų12685%0.85183%0.825SS**PPolyproline II helixtrans-63.5143-177.600000112.9
844G42.1Very low41.3Very low64 Ų64125.4 Ų125.466%0.6683%0.827SS**PPolyproline II helixtrans-66.1153.3-17800000114.1
845P40.8Very low41.5Very low133 Ų133125.1 Ų125.186%0.86483%0.828SS**PPolyproline II helixtrans-69.6143.8-174.828.3-35000113
846Q49Very low41.9Very low194 Ų194125 Ų12591%0.90783%0.827SS**PPolyproline II helixtrans-74146.1177.3-69.4-178.4-19.500112.3
847G39Very low42.1Very low80 Ų80125.6 Ų125.683%0.82583%0.831SS**PPolyproline II helixtrans-65.9150.8-176.500000114.7
848L39.2Very low42Very low182 Ų182131.1 Ų131.195%0.95384%0.835SS**PPolyproline II helixtrans-74.7140.7-172-73166.8000113.8
849R44Very low42.2Very low245 Ų245131.1 Ų131.193%0.92584%0.835SS**PPolyproline II helixtrans-90.9137.3178.5-162.3176.8-171.6177.12.8109.8
850G35.7Very low42.2Very low72 Ų72135.4 Ų135.474%0.74284%0.838SS**PPolyproline II helixtrans-60.3148.1-175.100000114.9
851L40Very low42.3Very low172 Ų172132.1 Ų132.190%0.90183%0.833SS**PPolyproline II helixtrans-75.4134.7-174.5-79.9160.2000113.3
852P39.9Very low42.5Very low117 Ų117132.7 Ų132.776%0.7684%0.84SS**PPolyproline II helixtrans-70.9153.4167.7-16.231.1000112.8
853G37.2Very low42.6Very low73 Ų73138.3 Ų138.375%0.75384%0.843SS**PPolyproline II helixtrans-66.9153.2177.500000114.3
854L42.4Very low42.5Very low182 Ų182139.6 Ų139.695%0.95384%0.843SS**PPolyproline II helixtrans-76.7129-174.8-71.1164.8000112.8
855S42Very low42.7Very low121 Ų121140 Ų14085%0.84685%0.848SS**PPolyproline II helixtrans-85.8143.8172.1-640000111.8
856G41.2Very low43.1Very low73 Ų73145.6 Ų145.675%0.75385%0.851SS**PPolyproline II helixtrans-64.6160.9-179.600000115.2
857S44Very low43.1Very low127 Ų127142.3 Ų142.389%0.88885%0.847SS**PPolyproline II helixtrans-64.9131.1-175.440.50000113.6
858R43.2Very low43.6Very low248 Ų248141.6 Ų141.694%0.93684%0.839SS**PPolyproline II helixtrans-82.8144.4171.6-77.9-177.9168.4-176.4-4.2111.5
859G42.9Very low44.1Very low75 Ų75141.2 Ų141.277%0.77384%0.838SS**PPolyproline II helixtrans-70.7169.3176.400000114.6
860Q41.9Very low44.4Very low193 Ų193137.4 Ų137.490%0.90283%0.834SS**PPolyproline II helixtrans-70.5141.6-172.4-66.5179.4-4.100113.4
861P45.5Very low45.1Very low128 Ų128135.6 Ų135.683%0.83182%0.815SS**PPolyproline II helixtrans-71.4147.8175-17.631.8000114
862G46.7Very low45.7Very low73 Ų73135.4 Ų135.475%0.75381%0.814SS**PPolyproline II helixtrans-71.1163.3171.200000113.8
863R47.1Very low46.2Very low249 Ų249139 Ų13994%0.9482%0.818SS**PPolyproline II helixtrans-70.1142.8-174.6-65.8-174.2178.5-162-0.2112.7
864P47.9Very low47Very low131 Ų131137.1 Ų137.185%0.85180%0.798SS**PPolyproline II helixtrans-65.3149.2177.6-21.133.2000114.3
865G46.6Very low47.8Very low73 Ų73136.9 Ų136.975%0.75379%0.792SS**PPolyproline II helixtrans-71.5162170.700000113.3
866R48.8Very low48.2Very low249 Ų249138.7 Ų138.794%0.9479%0.791SS**PPolyproline II helixtrans-74139.7-178.3-71.3-173.3175.2-157-0.4111.9
867P50.4Low48.8Very low126 Ų126137.2 Ų137.282%0.81878%0.777SS**PPolyproline II helixtrans-64.2149.9175.5-21.433.3000113.8
868G48.8Very low49.2Very low64 Ų64141.9 Ų141.966%0.6678%0.776SS**PPolyproline II helixtrans-72.3163.5170.300000113.4
869L49.6Very low49.5Very low175 Ų175140.2 Ų140.292%0.91678%0.776SS**PPolyproline II helixtrans-70.4146.1-177.3-74.2162.9000112.8
870I51.6Low50.3Low164 Ų164140.7 Ų140.784%0.84178%0.781SS**PPolyproline II helixtrans-74.4127.5-176.4-61.6169.2000110.4
871G50Low50.8Low34 Ų34139.6 Ų139.635%0.35178%0.775SS.*PPolyproline II helixtrans-70.8148.3175.800000113.4
872L51.3Low51Low169 Ų169143.5 Ų143.589%0.88578%0.779SS**PPolyproline II helixtrans-69.6142.2-178.6-69.6167.3000112.2
873K50.2Low51.4Low193 Ų193142 Ų14284%0.83976%0.763SS**PPolyproline II helixtrans-79.9129.4-178.7-175.8-179.8177.8-176.30110.5
874G54.4Low51.7Low32 Ų32134.3 Ų134.333%0.3375%0.748SS.*PPolyproline II helixtrans-63.3153.717700000113.8
875E59.3Low52Low178 Ų178134.1 Ų134.183%0.83275%0.747SS**PPolyproline II helixtrans-74.5157.3-174.7-63-172.3153.700113.7
876L51.2Low52.2Low158 Ų158132.8 Ų132.883%0.82773%0.733SS**PPolyproline II helixtrans-87.5128-175.3-81.8140.1000112
877G52.9Low52.3Low43 Ų43129.6 Ų129.644%0.44373%0.729SS.*PPolyproline II helixtrans-72.7144169.500000112.6
878Y52Low52Low225 Ų225128.8 Ų128.888%0.88272%0.721SS**SBendtrans-85.7133.7176.8-81.9-90.3000111.8
879K51.2Low52.1Low213 Ų213134.5 Ų134.593%0.92673%0.733SS**SBendtrans46.874.1172.7-76.9-172.4172.8-179.50115.9
880G58.3Low52.2Low85 Ų85133 Ų13388%0.87673%0.731SS**SBendtrans106.9-8.3153.600000116.7
881E52.6Low52Low169 Ų169128.1 Ų128.179%0.7972%0.721SS**  trans-105.4148.1174.5-64.6-169.1160.900112.5
882K49.7Very low52.1Low211 Ų211134.8 Ų134.892%0.91775%0.749SS**PPolyproline II helixtrans-89.7118.5-169.8-164.1178.4-173.5179.90110.4
883G54.6Low51.8Low40 Ų40136.1 Ų136.141%0.41275%0.75SS.*PPolyproline II helixtrans-59.8155.4177.900000113.8
884S54.9Low51.7Low88 Ų88130 Ų13062%0.61574%0.741SS**PPolyproline II helixtrans-73.1143.2-17246.10000113.5
885P52.6Low51.4Low127 Ų127134.5 Ų134.583%0.82577%0.765SS**PPolyproline II helixtrans-69.5137.7177.2-17.331.5000112.7
886G50.8Low51.1Low45 Ų45132.2 Ų132.246%0.46477%0.766SS.*PPolyproline II helixtrans-75.6144172.800000112.7
887Q51.6Low50.9Low183 Ų183128 Ų12886%0.85576%0.76SS**PPolyproline II helixtrans-83144175-88.7177.4-26.800112.2
888V45.3Very low50.5Low109 Ų109132 Ų13266%0.66178%0.779SS**  trans-133127.9170.1-170.50000108.3
889M50.1Low50.5Low183 Ų183127.7 Ų127.790%0.90178%0.778SS**PPolyproline II helixtrans-89.9139.7172.8-65.8-159.2-6300110.6
890V51.4Low50.1Low144 Ų144120.6 Ų120.687%0.87377%0.765SS**PPolyproline II helixtrans-86.2139.3175.9-179.10000109.2
891G48.6Very low49.4Very low62 Ų62123.2 Ų123.264%0.63977%0.767SS**PPolyproline II helixtrans-96.7148.2174.900000112.8
892D50.6Low49.7Very low174 Ų174122.1 Ų122.193%0.9377%0.771SS**PPolyproline II helixtrans-70.8154.8-170.5-64-50.5000115.4
893Q45.4Very low49.4Very low197 Ų197114.9 Ų114.992%0.92176%0.757SS**PPolyproline II helixtrans-95.6133.4-175.1-164.2174.327.300112.1
894G49Very low48.9Very low63 Ų63119.8 Ų119.865%0.64978%0.781SS**PPolyproline II helixtrans-75.6158.8-178.700000115.2
895P47.5Very low48.3Very low127 Ų127124.4 Ų124.483%0.82579%0.793SS**PPolyproline II helixtrans-77.3157.3-170.430.3-36.2000115.1
896P52.8Low47.5Very low131 Ų131121.8 Ų121.885%0.85179%0.789SS**PPolyproline II helixtrans-78.8155.2-176.9-12.530.1000115
897G46.8Very low47Very low68 Ų68129.9 Ų129.970%0.70181%0.807SS**PPolyproline II helixtrans-88.7166.1176.200000115.4
898P45.3Very low46.4Very low129 Ų129126.2 Ų126.284%0.83880%0.802SS**PPolyproline II helixtrans-83.2162.5-169.332.8-36.6000115.7
899P51.3Low46Very low133 Ų133130.5 Ų130.586%0.86481%0.812SS**PPolyproline II helixtrans-85.2159.3-175.4-8.127.8000115.2
900G43.4Very low45.8Very low64 Ų64128 Ų12866%0.6681%0.81SS**PPolyproline II helixtrans-96.4172.1176.500000115.7
901P43.2Very low45.2Very low141 Ų141124.5 Ų124.592%0.91680%0.802SS**PPolyproline II helixtrans-82168.2-167.432.6-36.7000116.3
902V58.9Low44.9Very low145 Ų145127.7 Ų127.788%0.87981%0.811SS**  trans-110.8146.4-165.9179.70000112.7
903G42.9Very low44.9Very low60 Ų60125.5 Ų125.562%0.61981%0.807SS**  trans-100.2163.117500000115.1
904P45.1Very low44.5Very low142 Ų142120 Ų12092%0.92280%0.802SS**  trans-82.5171.3-168.832.8-36.2000116.2
905Q41.4Very low43.8Very low186 Ų186126.6 Ų126.687%0.86981%0.813SS**  trans-119.6148.1-153.4-163.3177.93400114.4
906G36.8Very low44Very low72 Ų72127 Ų12774%0.74282%0.816SS**  trans-105157.6174.300000114.2
907Y40.3Very low43.3Very low214 Ų214124.5 Ų124.584%0.83981%0.813SS**  trans-106.5130.6-161-83.8-102.6000116.8
908S38.8Very low42.7Very low107 Ų107129.6 Ų129.675%0.74882%0.824SS**  trans65.1151.7145.764.30000121.7
909K35.9Very low42.8Very low199 Ų199129.4 Ų129.487%0.86582%0.823SS**  cis-163.4152.8-21.7-104.8-177.9-174.7179.90107.8
910P45.4Very low42.2Very low131 Ų131126.6 Ų126.685%0.85182%0.817SS**  trans-95.4158.6-176.62.618.3000115.4
911G38.9Very low41.6Very low69 Ų69132.8 Ų132.871%0.71183%0.829SS**  trans-111.3165172.600000114.2
912P42.5Very low41.9Very low129 Ų129134.4 Ų134.484%0.83883%0.83SS**PPolyproline II helixtrans-93.6160.8-158.936.3-37.1000116.3
913P50.9Low40.9Very low129 Ų129131 Ų13184%0.83882%0.824SS**PPolyproline II helixtrans-92.1148.4-173.835.6-35.5000115.6
914G37Very low40.5Very low80 Ų80133.1 Ų133.183%0.82584%0.836SS**PPolyproline II helixtrans-97.9157.6171.300000113.6
915K35.3Very low40.6Very low203 Ų203135.9 Ų135.988%0.88384%0.837SS**PPolyproline II helixtrans-96.4158.8-157-60.6178.6-178.2178.40115.4
916P51.4Low40.3Very low136 Ų136130.4 Ų130.488%0.88383%0.83SS**PPolyproline II helixtrans-82153.4179.5-3.722.8000113.8
917G36.9Very low40.1Very low77 Ų77137 Ų13779%0.79484%0.838SS**  trans-115157.1170.600000112.6
918L34.5Very low40.2Very low176 Ų176133.3 Ų133.392%0.92184%0.843SS**  trans-93.2162.1-161.2-72.9164000115.3
919P47.1Very low39.9Very low125 Ų125131.5 Ų131.581%0.81284%0.842SS**  trans-102.5165.7-168.639.6-36.3000116.3
920G38.7Very low39.8Very low73 Ų73129.5 Ų129.575%0.75384%0.841SS**  trans112144.616800000113.5
921Q32.6Very low39.6Very low195 Ų195129.6 Ų129.691%0.91184%0.841SS**  cis-142.1166.49.1-69.2176.9-2500111.5
922N48.3Very low39.5Very low174 Ų174129.6 Ų129.693%0.9384%0.841SS**  trans-76.6149.2175-66.5-13.2000112.2
923G37.5Very low39.3Very low73 Ų73130.1 Ų130.175%0.75384%0.841SS**  trans-144.2121.8175.100000114.2
924A35Very low39Very low105 Ų105129.8 Ų129.887%0.86884%0.839SS**  trans46.7122159.100000121.5
925E47.5Very low39Very low201 Ų201129.2 Ų129.294%0.93983%0.833SS**  trans-73.5146.1155.4-75.7-170128.900111.7
926G35Very low39Very low70 Ų70128.4 Ų128.472%0.72283%0.833SS**  trans-158.162-171.800000116.7
927K32.9Very low38.5Very low212 Ų212128.1 Ų128.192%0.92283%0.831SS**  trans63.5135159.6-61.3-174.8178.7-179.10119.5
928S41.8Very low38.4Very low135 Ų135127.8 Ų127.894%0.94483%0.827SS**  trans-77.3151.1175-78.70000113.9
929G32.9Very low38.4Very low70 Ų70126.4 Ų126.472%0.72283%0.826SS**  trans-152.6101.4169.100000112.5
930N33.8Very low37.8Very low157 Ų157126.1 Ų126.184%0.8483%0.825SS**  trans58.5137.7165.4-62.2-9.5000120.6G932N930-G932 PolarHBondContact O-N 3.36Å
931P40.7Very low37.6Very low133 Ų133128 Ų12886%0.86482%0.818SS**PPolyproline II helixtrans-75126.7-175.6-13.129.8000113.2
932G36.2Very low38Very low68 Ų68124.3 Ų124.370%0.70181%0.811SS**PPolyproline II helixtrans-78.4154.3164.100000112.3N930N930-G932 PolarHBondContact O-N 3.36Å
933V40Very low37.6Very low140 Ų140120.2 Ų120.285%0.84880%0.796SS**PPolyproline II helixtrans-62.2139.6-177-179.80000111.6G935V933-G935 PolarHBondContact O-N 3.47Å
934P44.1Very low37.9Very low122 Ų122124.3 Ų124.379%0.79280%0.8SS**PPolyproline II helixtrans-58.7124.8176.2-25.134.8000113.1
935G37Very low38.1Very low68 Ų68124.6 Ų124.670%0.70179%0.794SS**PPolyproline II helixtrans-72.9157.9169.300000112.3V933V933-G935 PolarHBondContact O-N 3.47Å
936H35Very low37.5Very low187 Ų187126.1 Ų126.187%0.86679%0.793SS**PPolyproline II helixtrans-63.1140.9-176.9-58.5-68.4000112.8G938H936-G938 PolarHBondContact O-N 2.62Å
937P41.1Very low37.5Very low130 Ų130127.7 Ų127.784%0.84480%0.8SS**PPolyproline II helixtrans-58.9133.4173.4-24.634.7000112.4
938G35.8Very low37.6Very low70 Ų70122.8 Ų122.872%0.72279%0.792SS**PPolyproline II helixtrans-70.8155.5177.900000113.5H936H936-G938 PolarHBondContact O-N 2.62Å
939V34.3Very low37.3Very low147 Ų147123.8 Ų123.889%0.89179%0.785SS**PPolyproline II helixtrans-71127.5178.7178.90000110.5
940C33.8Very low37.3Very low118 Ų118128 Ų12880%0.79779%0.788SS**PPolyproline II helixtrans-92.2133.6166.3-77.40000111
941D35.2Very low37.2Very low114 Ų114132.8 Ų132.861%0.6179%0.794SS**PPolyproline II helixtrans-78.8122.6175-171.9-39.6000110.5S943D941-S943 VanDerWaalsContact CG-OG 3.26Å; D941-S943 PolarHBondContact O-N 3.19Å; D941-S943 VanDerWaalsContact OD1-CB 3.23Å; D941-S943 WeakPolarHBondContact OD1-CB 3.23Å; D941-S943 PolarHBondContact OD1-N 3.44Å; D941-S943 PolarHBondContact OD1-OG 3.15Å
942P39.4Very low36.9Very low116 Ų116137.2 Ų137.275%0.75379%0.793SS**G310 helixtrans-70-4.7-178.3-21.334.3000116.1L944 C945P942-L944 PolarHBondContact O-N 2.93Å; P942-C945 PolarHBondContact O-N 3.42Å
943S41.8Very low36.6Very low89 Ų89139.7 Ų139.762%0.62280%0.8SS**G310 helixtrans-68.7-2.5-172.455.60000116D941D941-S943 VanDerWaalsContact CG-OG 3.26Å; D941-S943 PolarHBondContact O-N 3.19Å; D941-S943 VanDerWaalsContact OD1-CB 3.23Å; D941-S943 WeakPolarHBondContact OD1-CB 3.23Å; D941-S943 PolarHBondContact OD1-N 3.44Å; D941-S943 PolarHBondContact OD1-OG 3.15Å
944L43.2Very low36.4Very low159 Ų159138 Ų13883%0.83280%0.795SS**G310 helixtrans-96.7-0.7179.6-69.8171.4000115.3P942P942-L944 PolarHBondContact O-N 2.93Å
945C38Very low35.9Very low111 Ų111143.5 Ų143.575%0.7580%0.801SS**SBendtrans-103.535.8-177.9-72.60000114.6P942P942-C945 PolarHBondContact O-N 3.42Å
946Y35.9Very low35.7Very low232 Ų232146.2 Ų146.291%0.9181%0.809SS**  trans-136.960.9-176.9-129.2-90.5000113.9
947A34.7Very low35.7Very low104 Ų104147.8 Ų147.886%0.8681%0.814SS**SBendtrans-147.513.2-179.100000116.5
948S34.6Very low35.2Very low109 Ų109145 Ų14576%0.76281%0.808SS**SBendtrans-128.8-0.7-16843.80000117.2
949I36.8Very low35.4Very low155 Ų155147.4 Ų147.480%0.79581%0.811SS**SBendtrans-111.630.4-174.7-46.9-178.8000113
950M31.2Very low35.7Very low159 Ų159147.3 Ų147.378%0.78381%0.806SS**  trans-141.889.5167.8-78.6-62.8164.800112.5
951R33.1Very low35.7Very low257 Ų257155.8 Ų155.897%0.9782%0.823SS**  trans-124.486.9153.8-83-167.4174.2-166.90.1109.3
952R33.3Very low35.7Very low226 Ų226157.9 Ų157.985%0.85383%0.834SS**PPolyproline II helixtrans-70.1137.3163.2-72.1-177.6173.6-174.1-3.5109
953S31.2Very low35.5Very low120 Ų120160.1 Ų160.184%0.83984%0.838SS**PPolyproline II helixtrans-77.9139.4164.850.40000110
954S35.4Very low35.1Very low105 Ų105164 Ų16473%0.73485%0.85SS**PPolyproline II helixtrans-79.4119.6173-49.30000109.4
955Y34Very low34.7Very low238 Ų238164.3 Ų164.393%0.93385%0.851SS**  trans167.578143.4-88.7-59.8000111.8
956S31.4Very low34.4Very low124 Ų124167.6 Ų167.687%0.86786%0.857SS**  trans-154.6144141.864.60000109.3
957K35.4Very low34.4Very low220 Ų220163.3 Ų163.396%0.95785%0.854SS**  trans-127.9124.2171.4-78.8-174.5174.9-176.60107.1
958G30.1Very low34.3Very low71 Ų71167.6 Ų167.673%0.73285%0.853SS**  trans-170.7142.2177.200000107.9
959P40.7Very low34.3Very low121 Ų121172.1 Ų172.179%0.78686%0.86SS**  trans-93.6141.1-142.133.6-35.9000116.2
960N40.4Very low34.1Very low145 Ų145173.5 Ų173.578%0.77587%0.866SS**  trans27.2110.8139.9-53.5-7.7000119.1
961Y32.9Very low34.4Very low296 Ų296174.8 Ų174.8100%1.16187%0.873SS**  -125.20107.7-86.8-88.1000108.7

Retrieved 961 of 961 residues in 485.8 ms (Link to these results)

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