A0A077ZBI2_TRITR Loading...

Signal recognition particle receptor subunit beta

AlphaFold DB , UniProt , Accession A0A077ZBI2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 278 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
1L53.2Low63.4Low193 Ų193117.5 Ų117.5100%1.0158%0.58SS**  0136.10-82.8101000108.5L5L1-L5 HydrophobicContact CD2-CB 4.35Å; L1-L5 HydrophobicContact CD2-CD1 4.29Å
2P56.3Low64.6Low82 Ų82117.3 Ų117.353%0.53258%0.582SS.*  trans-55.1140.9178.7-14.823.9000111S4 L5P2-S4 PolarHBondContact O-N 2.98Å; P2-L5 HydrophobicContact CG-CD1 4.04Å; P2-L5 PolarHBondContact O-N 2.97Å
3E61.1Low65.6Low139 Ų139112.3 Ų112.365%0.6556%0.561SS**G310 helixtrans-47-29.2176.6-83.8-90.9124.300113.2L5 R6E3-L5 VanDerWaalsContact C-N 3.27Å; E3-L5 PolarHBondContact O-N 2.72Å; E3-R6 PolarHBondContact O-N 3.32Å; E3-R6 IonicContact OE1-CZ 3.5Å; E3-R6 IonicContact OE1-NE 3.13Å; E3-R6 IonicContact OE1-NH1 2.72Å; E3-R6 PolarHBondContact OE1-NH1 3.36Å
4S59.7Low66.5Low82 Ų82108.5 Ų108.557%0.57356%0.556SS**G310 helixtrans-64.1-21.7178.157.10000115.1P2P2-S4 PolarHBondContact O-N 2.98Å
5L56.8Low66.9Low81 Ų81108.5 Ų108.542%0.42456%0.557SS.*G310 helixtrans-85.6-12.1178.7-84.9130.7000113.8L1 P2 E3 I7 L8L1-L5 HydrophobicContact CD2-CB 4.35Å; L1-L5 HydrophobicContact CD2-CD1 4.29Å; P2-L5 HydrophobicContact CG-CD1 4.04Å; P2-L5 PolarHBondContact O-N 2.97Å; E3-L5 VanDerWaalsContact C-N 3.27Å; E3-L5 PolarHBondContact O-N 2.72Å; L5-I7 PolarHBondContact O-N 2.75Å; L5-L8 HydrophobicContact CD2-CD1 4.01Å; L5-L8 PolarHBondContact O-N 3.25Å
6R58.6Low67.5Low170 Ų170110.4 Ų110.464%0.64256%0.56SS**G310 helixtrans-65.3-29.3176.4-76.2179.9166.4177.9-9.6112.4E3 L8 R9E3-R6 PolarHBondContact O-N 3.32Å; E3-R6 IonicContact OE1-CZ 3.5Å; E3-R6 IonicContact OE1-NE 3.13Å; E3-R6 IonicContact OE1-NH1 2.72Å; E3-R6 PolarHBondContact OE1-NH1 3.36Å; R6-L8 VanDerWaalsContact C-N 3.27Å; R6-L8 PolarHBondContact O-N 3.25Å; R6-R9 VanDerWaalsContact O-CB 3.22Å; R6-R9 WeakPolarHBondContact O-CB 3.33Å; R6-R9 PolarHBondContact O-N 2.99Å
7I59.5Low67.5Low140 Ų140106.6 Ų106.672%0.71855%0.545SS*.G310 helixtrans-68.5-27.9-179.2-59170.1000111.4L5 R9L5-I7 PolarHBondContact O-N 2.75Å; I7-R9 PolarHBondContact O-N 2.66Å
8L65.8Low67.8Low89 Ų89108.9 Ų108.947%0.46657%0.565SS.*G310 helixtrans-75.1-5.3176.8-70167000113.4L5 R6 R30L5-L8 HydrophobicContact CD2-CD1 4.01Å; L5-L8 PolarHBondContact O-N 3.25Å; R6-L8 VanDerWaalsContact C-N 3.27Å; R6-L8 PolarHBondContact O-N 3.25Å; L8-R30 VanDerWaalsContact O-CD 3.24Å; L8-R30 WeakPolarHBondContact O-CD 3.24Å; L8-R30 PolarHBondContact O-NE 3.17Å; L8-R30 PolarHBondContact O-NH1 2.71Å; L8-R30 PolarHBondContact O-NH2 3.48Å
9R71.5Confident67.5Low138 Ų138110.3 Ų110.352%0.52157%0.572SS.*G310 helixtrans-78.8-24.7-177.3-164.6167-173.8-166.8-5.4112.9R6 I7 E29 R30R6-R9 VanDerWaalsContact O-CB 3.22Å; R6-R9 WeakPolarHBondContact O-CB 3.33Å; R6-R9 PolarHBondContact O-N 2.99Å; I7-R9 PolarHBondContact O-N 2.66Å; R9-E29 HydrophobicContact CG-CG 3.95Å; R9-E29 IonicContact CZ-OE1 2.75Å; R9-E29 IonicContact NE-OE1 3.61Å; R9-E29 PolarHBondContact NE-OE1 2.84Å; R9-E29 IonicContact NH2-OE1 3.88Å; R9-E29 PolarHBondContact NH2-OE1 3.27Å; R9-E29 IonicContact NH2-OE2 3.92Å; R9-E29 CarbonylContact O-C 3.54Å; R9-E29 WeakPolarHBondContact O-CA 3.22Å; R9-R30 PolarHBondContact O-N 2.84Å
10Y77.4Confident67.8Low114 Ų114109.9 Ų109.945%0.44758%0.575SS.*EExtended strand (participates in β ladder)trans-117.3152.6-173.1-58.7-80.8000112.7I27 R28 E29Y10-I27 HydrophobicContact CD1-CG2 3.86Å; Y10-I27 HydrophobicContact CG-CG2 3.96Å; Y10-R28 CarbonylContact C-O 3.51Å; Y10-R28 WeakPolarHBondContact CA-O 3.34Å; Y10-E29 HydrophobicContact CD1-CB 4.22Å; Y10-E29 HydrophobicContact CE1-CB 4.16Å
11V78Confident68.2Low65 Ų65106.6 Ų106.639%0.39457%0.567SS.*EExtended strand (participates in β ladder)trans-132138.1174.7172.70000108.7V13 R28 R30V11-V13 HydrophobicContact CG1-CG2 4.44Å; V11-R28 PolarHBondContact N-O 2.95Å; V11-R28 PolarHBondContact O-N 2.95Å; V11-R30 HydrophobicContact CG2-CG 3.46Å; V11-R30 VanDerWaalsContact CG2-CG 3.46Å
12L77.6Confident69.2Low115 Ų115103.9 Ų103.960%0.60255%0.549SS*.EExtended strand (participates in β ladder)trans-79.6119.4171.1-161.193.1000108.9F25 W26 I27L12-F25 HydrophobicContact CD2-CD1 3.67Å; L12-F25 HydrophobicContact CD2-CE1 4.29Å; L12-F25 HydrophobicContact CD2-CG 4.45Å; L12-F25 HydrophobicContact CG-CD1 4.33Å; L12-W26 CarbonylContact C-O 3.6Å; L12-W26 WeakPolarHBondContact CA-O 3.39Å; L12-I27 HydrophobicContact CD1-CG1 4.1Å
13V77.9Confident70.2Confident52 Ų52107.8 Ų107.832%0.31555%0.553SS.*EExtended strand (participates in β ladder)trans-108.6121.9177.2-176.80000108.2V11 L15 F25 W26 R28V11-V13 HydrophobicContact CG1-CG2 4.44Å; V13-L15 HydrophobicContact CG1-CG 4.41Å; V13-F25 CarbonylContact O-C 3.51Å; V13-F25 WeakPolarHBondContact O-CA 3.34Å; V13-W26 PolarHBondContact N-O 3.18Å; V13-W26 PolarHBondContact O-N 2.78Å; V13-R28 HydrophobicContact CG2-CB 4.11Å
14A77.7Confident70.9Confident59 Ų59106.5 Ų106.549%0.48855%0.547SS..EExtended strand (participates in β ladder)trans-99.7120.1173.600000109.5Q24 F25A14-Q24 WeakPolarHBondContact CA-O 3.46Å; A14-F25 HydrophobicContact CB-CD1 3.7Å; A14-F25 HydrophobicContact CB-CE1 3.67Å
15L72.6Confident71.9Confident109 Ų109108.7 Ų108.757%0.57155%0.547SS*.EExtended strand (participates in β ladder)trans-108130171.8-72.4169.2000109V13 R23 Q24V13-L15 HydrophobicContact CG1-CG 4.41Å; L15-R23 WeakPolarHBondContact O-CA 3.47Å; L15-Q24 PolarHBondContact N-O 3.38Å; L15-Q24 PolarHBondContact O-N 2.9Å
16K75.9Confident72.7Confident139 Ų139111.8 Ų111.860%0.60455%0.553SS**EExtended strand (participates in β ladder)trans-100.3120.8173.2-170.4-178.5179.3-172.30107.8V18 R23K16-V18 PolarHBondContact O-N 3.01Å; K16-R23 HydrophobicContact CB-CG 4.31Å; K16-R23 HydrophobicContact CG-CG 4.2Å
17S68.5Low73.5Confident45 Ų45109.8 Ų109.832%0.31555%0.553SS.*  trans-62.2126.6172.51740000110I19 T20 G21 H22S17-I19 PolarHBondContact O-N 3.46Å; S17-I19 PolarHBondContact OG-N 3.07Å; S17-T20 WeakPolarHBondContact CB-OG1 3.43Å; S17-T20 PolarHBondContact OG-N 3.12Å; S17-T20 VanDerWaalsContact OG-N 3.12Å; S17-T20 PolarHBondContact OG-OG1 2.78Å; S17-G21 WeakPolarHBondContact O-CA 3.43Å; S17-G21 PolarHBondContact O-N 2.7Å; S17-H22 PolarHBondContact N-O 3.02Å
18V72.4Confident74.3Confident149 Ų149107.5 Ų107.590%0.90354%0.536SS*.THydrogen-bonded Turntrans-67.4-28.4175.9177.80000111.1K16K16-V18 PolarHBondContact O-N 3.01Å
19I62Low75Confident135 Ų135106.2 Ų106.269%0.69253%0.528SS*.THydrogen-bonded Turntrans-90.5-42.8-173.4-58.1169.3000111.5S17S17-I19 PolarHBondContact O-N 3.46Å; S17-I19 PolarHBondContact OG-N 3.07Å
20T74.3Confident75.1Confident102 Ų102106.3 Ų106.363%0.62653%0.528SS*.THydrogen-bonded Turntrans-107-7.3-172.457.50000113.7S17 H22S17-T20 WeakPolarHBondContact CB-OG1 3.43Å; S17-T20 PolarHBondContact OG-N 3.12Å; S17-T20 VanDerWaalsContact OG-N 3.12Å; S17-T20 PolarHBondContact OG-OG1 2.78Å; T20-H22 PolarHBondContact O-N 3.09Å
21G75.4Confident74.8Confident41 Ų41108 Ų10842%0.42354%0.544SS..  trans68.5-5.8-175.500000114.7S17S17-G21 WeakPolarHBondContact O-CA 3.43Å; S17-G21 PolarHBondContact O-N 2.7Å
22H74.5Confident74.3Confident135 Ų135107 Ų10763%0.62554%0.543SS*.  trans-67.6131.7-177.4-137.6-38.5000110.6S17 T20S17-H22 PolarHBondContact N-O 3.02Å; T20-H22 PolarHBondContact O-N 3.09Å
23R76Confident73.7Confident165 Ų165109.8 Ų109.862%0.62355%0.553SS**EExtended strand (participates in β ladder)trans-89.5129.7169.7-70.7-177.8179.7-179.3-0.3109.6L15 K16L15-R23 WeakPolarHBondContact O-CA 3.47Å; K16-R23 HydrophobicContact CB-CG 4.31Å; K16-R23 HydrophobicContact CG-CG 4.2Å
24Q76.4Confident72.8Confident112 Ų112115.4 Ų115.452%0.52357%0.574SS.*EExtended strand (participates in β ladder)trans-118.7140.6167.7-70.2-162.7-18.600109.8A14 L15A14-Q24 WeakPolarHBondContact CA-O 3.46Å; L15-Q24 PolarHBondContact N-O 3.38Å; L15-Q24 PolarHBondContact O-N 2.9Å
25F80.2Confident71.9Confident128 Ų128118.1 Ų118.156%0.56158%0.584SS**EExtended strand (participates in β ladder)trans-108.8134.5179.7-61.3-87.2000109.3L12 V13 A14L12-F25 HydrophobicContact CD2-CD1 3.67Å; L12-F25 HydrophobicContact CD2-CE1 4.29Å; L12-F25 HydrophobicContact CD2-CG 4.45Å; L12-F25 HydrophobicContact CG-CD1 4.33Å; V13-F25 CarbonylContact O-C 3.51Å; V13-F25 WeakPolarHBondContact O-CA 3.34Å; A14-F25 HydrophobicContact CB-CD1 3.7Å; A14-F25 HydrophobicContact CB-CE1 3.67Å
26W73.4Confident71.1Confident145 Ų145120.2 Ų120.255%0.54959%0.591SS.*EExtended strand (participates in β ladder)trans-128.3142.3179.4-6187.2000109.3L12 V13L12-W26 CarbonylContact C-O 3.6Å; L12-W26 WeakPolarHBondContact CA-O 3.39Å; V13-W26 PolarHBondContact N-O 3.18Å; V13-W26 PolarHBondContact O-N 2.78Å
27I77Confident69.9Low128 Ų128118.6 Ų118.666%0.65659%0.592SS**EExtended strand (participates in β ladder)trans-95.5117.8171.5-60.8174.4000106.8Y10 L12Y10-I27 HydrophobicContact CD1-CG2 3.86Å; Y10-I27 HydrophobicContact CG-CG2 3.96Å; L12-I27 HydrophobicContact CD1-CG1 4.1Å
28R75.9Confident69.1Low92 Ų92124.9 Ų124.935%0.34761%0.614SS.*EExtended strand (participates in β ladder)trans-119.8140.2-180-177.7179.6168.6175.5-0.7110.5Y10 V11 V13 A32 E33 K34Y10-R28 CarbonylContact C-O 3.51Å; Y10-R28 WeakPolarHBondContact CA-O 3.34Å; V11-R28 PolarHBondContact N-O 2.95Å; V11-R28 PolarHBondContact O-N 2.95Å; V13-R28 HydrophobicContact CG2-CB 4.11Å; R28-A32 HydrophobicContact CG-CB 4.24Å; R28-A32 PolarHBondContact NH2-O 2.91Å; R28-E33 VanDerWaalsContact NH2-C 3.26Å; R28-E33 PolarHBondContact NH2-O 3.36Å; R28-K34 VanDerWaalsContact NH2-CA 3.31Å
29E79.7Confident68.3Low63 Ų63124.7 Ų124.729%0.29461%0.607SS.*EExtended strand (participates in β ladder)trans-68.6133.7171.8-175.8166.9-176.900110.8R9 Y10 N31 A32R9-E29 HydrophobicContact CG-CG 3.95Å; R9-E29 IonicContact CZ-OE1 2.75Å; R9-E29 IonicContact NE-OE1 3.61Å; R9-E29 PolarHBondContact NE-OE1 2.84Å; R9-E29 IonicContact NH2-OE1 3.88Å; R9-E29 PolarHBondContact NH2-OE1 3.27Å; R9-E29 IonicContact NH2-OE2 3.92Å; R9-E29 CarbonylContact O-C 3.54Å; R9-E29 WeakPolarHBondContact O-CA 3.22Å; Y10-E29 HydrophobicContact CD1-CB 4.22Å; Y10-E29 HydrophobicContact CE1-CB 4.16Å; E29-N31 PolarHBondContact O-N 2.88Å; E29-N31 VanDerWaalsContact O-N 3.12Å; E29-A32 HydrophobicContact CB-CB 4.43Å; E29-A32 WeakPolarHBondContact O-CB 3.16Å; E29-A32 PolarHBondContact O-N 2.9Å; E29-A32 VanDerWaalsContact O-N 3.07Å
30R73.9Confident68.1Low139 Ų139124.6 Ų124.653%0.52561%0.607SS.*THydrogen-bonded Turntrans-55.9-32.6-174.8-77.6-170.5-167.6162.97.2113.8L8 R9 V11L8-R30 VanDerWaalsContact O-CD 3.24Å; L8-R30 WeakPolarHBondContact O-CD 3.24Å; L8-R30 PolarHBondContact O-NE 3.17Å; L8-R30 PolarHBondContact O-NH1 2.71Å; L8-R30 PolarHBondContact O-NH2 3.48Å; R9-R30 PolarHBondContact O-N 2.84Å; V11-R30 HydrophobicContact CG2-CG 3.46Å; V11-R30 VanDerWaalsContact CG2-CG 3.46Å
31N71.3Confident67.6Low149 Ų149125.1 Ų125.180%0.79761%0.606SS**THydrogen-bonded Turntrans-96.54.8-176.3-68.7-6.4000113.6E29 E33E29-N31 PolarHBondContact O-N 2.88Å; E29-N31 VanDerWaalsContact O-N 3.12Å; N31-E33 PolarHBondContact O-N 2.94Å
32A67.8Low67.4Low45 Ų45126.6 Ų126.637%0.37261%0.609SS.*SBendtrans-66.3134.4176.900000110.2R28 E29R28-A32 HydrophobicContact CG-CB 4.24Å; R28-A32 PolarHBondContact NH2-O 2.91Å; E29-A32 HydrophobicContact CB-CB 4.43Å; E29-A32 WeakPolarHBondContact O-CB 3.16Å; E29-A32 PolarHBondContact O-N 2.9Å; E29-A32 VanDerWaalsContact O-N 3.07Å
33E64.9Low67.5Low174 Ų174126.5 Ų126.581%0.81361%0.608SS**  trans-59.3135.6177.5-164.3171.1-173.600110.9R28 N31 V35R28-E33 VanDerWaalsContact NH2-C 3.26Å; R28-E33 PolarHBondContact NH2-O 3.36Å; N31-E33 PolarHBondContact O-N 2.94Å; E33-V35 PolarHBondContact O-N 3.38Å
34K59.5Low67.7Low170 Ų170121.3 Ų121.374%0.73960%0.596SS**  trans-74.393.2176.5-72.8-179.5-179.6178.50108.5R28 E36R28-K34 VanDerWaalsContact NH2-CA 3.31Å; K34-E36 PolarHBondContact O-N 3.12Å; K34-E36 VanDerWaalsContact O-N 3.09Å
35V57.9Low67.9Low116 Ų116119.4 Ų119.470%0.70359%0.592SS**  trans-72.498.5163.2-175.10000107E33 V37E33-V35 PolarHBondContact O-N 3.38Å; V35-V37 VanDerWaalsContact C-N 3.26Å; V35-V37 HydrophobicContact CG1-CG2 4.11Å; V35-V37 PolarHBondContact O-N 2.91Å
36E55.3Low68.2Low152 Ų152117.8 Ų117.871%0.7159%0.589SS**  trans-68.291.8165.9-71.8-167.616700107.7K34 F38K34-E36 PolarHBondContact O-N 3.12Å; K34-E36 VanDerWaalsContact O-N 3.09Å; E36-F38 VanDerWaalsContact C-N 3.28Å; E36-F38 PolarHBondContact O-N 2.86Å
37V51.7Low68.9Low106 Ų106114.5 Ų114.564%0.64259%0.585SS**  trans-67.899.3164.4-172.40000105.2V35 L39V35-V37 VanDerWaalsContact C-N 3.26Å; V35-V37 HydrophobicContact CG1-CG2 4.11Å; V35-V37 PolarHBondContact O-N 2.91Å; V37-L39 HydrophobicContact CG1-CG 4.27Å; V37-L39 PolarHBondContact O-N 3.05Å
38F51.4Low69.4Low177 Ų177113.2 Ų113.278%0.77658%0.578SS**  trans-60.677.6164.2-107.9-96.3000107.2E36 L40E36-F38 VanDerWaalsContact C-N 3.28Å; E36-F38 PolarHBondContact O-N 2.86Å; F38-L40 PolarHBondContact O-N 2.99Å
39L55.7Low70.2Confident145 Ų145114.7 Ų114.776%0.75959%0.592SS**  trans-59.797.5159.1-75.7168.4000104V37 D41V37-L39 HydrophobicContact CG1-CG 4.27Å; V37-L39 PolarHBondContact O-N 3.05Å; L39-D41 PolarHBondContact O-N 3.45Å
40L57.5Low70.8Confident132 Ų132116.9 Ų116.969%0.69161%0.606SS**  trans-43.8114.8172.2-94.2117.4000107.3F38 V45F38-L40 PolarHBondContact O-N 2.99Å; L40-V45 HydrophobicContact CB-CG2 4.16Å; L40-V45 HydrophobicContact CD2-CG2 4.04Å
41D63.2Low71.7Confident113 Ų113114.1 Ų114.160%0.60460%0.604SS**  trans-50.4137.1178.8-96.5-41.2000108.4L39 Q43 P44L39-D41 PolarHBondContact O-N 3.45Å; D41-Q43 PolarHBondContact O-N 3.14Å; D41-P44 HydrophobicContact CB-CG 4Å; D41-P44 WeakPolarHBondContact O-CD 3.4Å; D41-P44 WeakPolarHBondContact O-CG 3.4Å
42P71.5Confident72.7Confident72 Ų72110.4 Ų110.447%0.46859%0.587SS.*Hα-helixtrans-62.4-18.9-179.623.8-33000112.4L46P42-L46 WeakPolarHBondContact O-CB 3.07Å; P42-L46 PolarHBondContact O-N 3.05Å; P42-L46 VanDerWaalsContact O-N 3.14Å
43Q76.7Confident73.9Confident133 Ų133110.1 Ų110.162%0.62159%0.588SS**Hα-helixtrans-67.5-57.3-179.1-61.1-64.9-36.800113.2D41 V45 L46 T47D41-Q43 PolarHBondContact O-N 3.14Å; Q43-V45 VanDerWaalsContact C-N 3.3Å; Q43-V45 PolarHBondContact O-N 3.05Å; Q43-L46 PolarHBondContact O-N 2.77Å; Q43-T47 WeakPolarHBondContact O-CG2 3.42Å; Q43-T47 PolarHBondContact O-N 2.94Å
44P80Confident75.3Confident57 Ų57107.1 Ų107.137%0.3758%0.577SS.*Hα-helixtrans-59.9-38.3177.221.7-34.5000112.6D41 L46 T47 I48D41-P44 HydrophobicContact CB-CG 4Å; D41-P44 WeakPolarHBondContact O-CD 3.4Å; D41-P44 WeakPolarHBondContact O-CG 3.4Å; P44-L46 PolarHBondContact O-N 3.41Å; P44-T47 WeakPolarHBondContact CA-OG1 3.21Å; P44-T47 PolarHBondContact O-N 2.76Å; P44-T47 PolarHBondContact O-OG1 3.44Å; P44-I48 VanDerWaalsContact O-CG1 3.28Å; P44-I48 WeakPolarHBondContact O-CG1 3.23Å; P44-I48 PolarHBondContact O-N 3.06Å
45V81.8Confident76.9Confident71 Ų71102.9 Ų102.943%0.4357%0.566SS.*Hα-helixtrans-61.6-44.7178.5-178.70000111.2L40 Q43 I48 L49L40-V45 HydrophobicContact CB-CG2 4.16Å; L40-V45 HydrophobicContact CD2-CG2 4.04Å; Q43-V45 VanDerWaalsContact C-N 3.3Å; Q43-V45 PolarHBondContact O-N 3.05Å; V45-I48 PolarHBondContact O-N 3.26Å; V45-L49 WeakPolarHBondContact O-CB 3.46Å; V45-L49 PolarHBondContact O-N 2.7Å
46L86.6Confident78.6Confident94 Ų94101.4 Ų101.449%0.49255%0.553SS.*Hα-helixtrans-63.8-41.6176.6-176.263.6000111.8P42 Q43 P44 L49 L50P42-L46 WeakPolarHBondContact O-CB 3.07Å; P42-L46 PolarHBondContact O-N 3.05Å; P42-L46 VanDerWaalsContact O-N 3.14Å; Q43-L46 PolarHBondContact O-N 2.77Å; P44-L46 PolarHBondContact O-N 3.41Å; L46-L49 PolarHBondContact O-N 2.9Å; L46-L50 HydrophobicContact CD1-CD1 4.3Å; L46-L50 HydrophobicContact CD1-CG 4.33Å; L46-L50 HydrophobicContact CG-CD1 4.03Å; L46-L50 HydrophobicContact CG-CG 4.47Å; L46-L50 WeakPolarHBondContact O-CB 3.42Å; L46-L50 VanDerWaalsContact O-CG 3.32Å; L46-L50 WeakPolarHBondContact O-CG 3.28Å; L46-L50 PolarHBondContact O-N 2.93Å
47T87.1Confident80.3Confident77 Ų77100.2 Ų100.247%0.47254%0.543SS..Hα-helixtrans-65.2-39.5177.962.40000112.6Q43 P44 T51Q43-T47 WeakPolarHBondContact O-CG2 3.42Å; Q43-T47 PolarHBondContact O-N 2.94Å; P44-T47 WeakPolarHBondContact CA-OG1 3.21Å; P44-T47 PolarHBondContact O-N 2.76Å; P44-T47 PolarHBondContact O-OG1 3.44Å; T47-T51 WeakPolarHBondContact O-CB 3.24Å; T47-T51 VanDerWaalsContact O-CG2 3.24Å; T47-T51 WeakPolarHBondContact O-CG2 3.37Å; T47-T51 PolarHBondContact O-N 3.24Å; T47-T51 PolarHBondContact O-OG1 2.86Å
48I88.8Confident82.1Confident101 Ų10198.2 Ų98.252%0.51853%0.531SS..Hα-helixtrans-65.9-41.5176.6-67.2165000110.3P44 V45 T51 T52P44-I48 VanDerWaalsContact O-CG1 3.28Å; P44-I48 WeakPolarHBondContact O-CG1 3.23Å; P44-I48 PolarHBondContact O-N 3.06Å; V45-I48 PolarHBondContact O-N 3.26Å; I48-T51 WeakPolarHBondContact CA-OG1 3.43Å; I48-T51 PolarHBondContact O-OG1 3.3Å; I48-T51 VanDerWaalsContact O-OG1 3.05Å; I48-T52 VanDerWaalsContact O-CB 3.23Å; I48-T52 WeakPolarHBondContact O-CB 3.24Å; I48-T52 PolarHBondContact O-N 3.34Å; I48-T52 PolarHBondContact O-OG1 3.49Å
49L91.4Very high83.8Confident122 Ų12294 Ų9464%0.63952%0.516SS*.Hα-helixtrans-67.9-41.8179.8-164128.5000112V45 L46 G53V45-L49 WeakPolarHBondContact O-CB 3.46Å; V45-L49 PolarHBondContact O-N 2.7Å; L46-L49 PolarHBondContact O-N 2.9Å; L49-G53 PolarHBondContact O-N 3.49Å
50L93.1Very high85.2Confident110 Ų11095.8 Ų95.858%0.57651%0.512SS*.Hα-helixtrans-65.9-45.2175.8-73.2173.3000112.2L46 G53 L54L46-L50 HydrophobicContact CD1-CD1 4.3Å; L46-L50 HydrophobicContact CD1-CG 4.33Å; L46-L50 HydrophobicContact CG-CD1 4.03Å; L46-L50 HydrophobicContact CG-CG 4.47Å; L46-L50 WeakPolarHBondContact O-CB 3.42Å; L46-L50 VanDerWaalsContact O-CG 3.32Å; L46-L50 WeakPolarHBondContact O-CG 3.28Å; L46-L50 PolarHBondContact O-N 2.93Å; L50-G53 PolarHBondContact O-N 2.89Å; L50-L54 WeakPolarHBondContact O-CB 3.32Å; L50-L54 PolarHBondContact O-N 3.39Å
51T92.4Very high86.3Confident81 Ų8197.3 Ų97.350%0.49751%0.509SS..Hα-helixtrans-66.8-43.4178.651.70000111.5T47 I48 G53 L54 V55T47-T51 WeakPolarHBondContact O-CB 3.24Å; T47-T51 VanDerWaalsContact O-CG2 3.24Å; T47-T51 WeakPolarHBondContact O-CG2 3.37Å; T47-T51 PolarHBondContact O-N 3.24Å; T47-T51 PolarHBondContact O-OG1 2.86Å; I48-T51 WeakPolarHBondContact CA-OG1 3.43Å; I48-T51 PolarHBondContact O-OG1 3.3Å; I48-T51 VanDerWaalsContact O-OG1 3.05Å; T51-G53 PolarHBondContact O-N 3.35Å; T51-L54 PolarHBondContact O-N 3.03Å; T51-V55 WeakPolarHBondContact O-CB 3.45Å; T51-V55 VanDerWaalsContact O-CG2 3.24Å; T51-V55 WeakPolarHBondContact O-CG2 3.33Å; T51-V55 PolarHBondContact O-N 2.94Å
52T93Very high86.9Confident71 Ų7198.3 Ų98.344%0.43651%0.513SS..Hα-helixtrans-63.5-42.2175.9-54.30000111.3I48 V55 L56I48-T52 VanDerWaalsContact O-CB 3.23Å; I48-T52 WeakPolarHBondContact O-CB 3.24Å; I48-T52 PolarHBondContact O-N 3.34Å; I48-T52 PolarHBondContact O-OG1 3.49Å; T52-V55 PolarHBondContact O-N 2.91Å; T52-L56 HydrophobicContact CG2-CD1 4.14Å; T52-L56 HydrophobicContact CG2-CG 4.49Å; T52-L56 WeakPolarHBondContact O-CB 3.41Å; T52-L56 WeakPolarHBondContact O-CG 3.47Å; T52-L56 PolarHBondContact O-N 2.92Å
53G93.3Very high86.6Confident38 Ų3899 Ų9939%0.39252%0.52SS..Hα-helixtrans-61.3-43.4174.800000112.7L49 L50 T51 L56 Y57L49-G53 PolarHBondContact O-N 3.49Å; L50-G53 PolarHBondContact O-N 2.89Å; T51-G53 PolarHBondContact O-N 3.35Å; G53-L56 PolarHBondContact O-N 3.45Å; G53-Y57 VanDerWaalsContact O-CB 3.31Å; G53-Y57 WeakPolarHBondContact O-CB 3.18Å; G53-Y57 PolarHBondContact O-N 3.44Å
54L93.9Very high85.8Confident111 Ų11197 Ų9758%0.58152%0.517SS*.Hα-helixtrans-64.6-45.2176-176.865.6000111.6L50 T51 Y57 V58L50-L54 WeakPolarHBondContact O-CB 3.32Å; L50-L54 PolarHBondContact O-N 3.39Å; T51-L54 PolarHBondContact O-N 3.03Å; L54-Y57 PolarHBondContact O-N 3.41Å; L54-V58 HydrophobicContact CD1-CG2 4.4Å; L54-V58 WeakPolarHBondContact O-CB 3.37Å; L54-V58 VanDerWaalsContact O-CG2 3.28Å; L54-V58 WeakPolarHBondContact O-CG2 3.34Å; L54-V58 PolarHBondContact O-N 3.41Å
55V93.3Very high84.9Confident82 Ų8299.6 Ų99.650%0.49753%0.534SS..Hα-helixtrans-61.2-46.5177.3169.90000110.5T51 T52 Y57 V58 I59T51-V55 WeakPolarHBondContact O-CB 3.45Å; T51-V55 VanDerWaalsContact O-CG2 3.24Å; T51-V55 WeakPolarHBondContact O-CG2 3.33Å; T51-V55 PolarHBondContact O-N 2.94Å; T52-V55 PolarHBondContact O-N 2.91Å; V55-Y57 VanDerWaalsContact C-N 3.34Å; V55-Y57 PolarHBondContact O-N 2.89Å; V55-V58 PolarHBondContact O-N 2.84Å; V55-I59 HydrophobicContact CG1-CD1 3.64Å; V55-I59 HydrophobicContact CG1-CG1 4.33Å; V55-I59 WeakPolarHBondContact O-CB 3.27Å; V55-I59 VanDerWaalsContact O-CG1 3.24Å; V55-I59 WeakPolarHBondContact O-CG1 3.26Å; V55-I59 PolarHBondContact O-N 3.32Å
56L92Very high84.2Confident85 Ų85105.3 Ų105.345%0.44555%0.553SS.*Hα-helixtrans-63.4-38176.1-73.7173.1000112.4T52 G53 R60T52-L56 HydrophobicContact CG2-CD1 4.14Å; T52-L56 HydrophobicContact CG2-CG 4.49Å; T52-L56 WeakPolarHBondContact O-CB 3.41Å; T52-L56 WeakPolarHBondContact O-CG 3.47Å; T52-L56 PolarHBondContact O-N 2.92Å; G53-L56 PolarHBondContact O-N 3.45Å; L56-R60 VanDerWaalsContact O-CB 3.26Å; L56-R60 WeakPolarHBondContact O-CB 3.36Å; L56-R60 VanDerWaalsContact O-CG 3.27Å; L56-R60 WeakPolarHBondContact O-CG 3.28Å; L56-R60 PolarHBondContact O-N 3.25Å
57Y91.1Very high83.9Confident127 Ų127104.4 Ų104.450%0.49855%0.546SS..Hα-helixtrans-64.6-45.1175.4174.6-101.8000111.6G53 L54 V55 R60 R61G53-Y57 VanDerWaalsContact O-CB 3.31Å; G53-Y57 WeakPolarHBondContact O-CB 3.18Å; G53-Y57 PolarHBondContact O-N 3.44Å; L54-Y57 PolarHBondContact O-N 3.41Å; V55-Y57 VanDerWaalsContact C-N 3.34Å; V55-Y57 PolarHBondContact O-N 2.89Å; Y57-R60 PolarHBondContact O-N 2.9Å; Y57-R61 HydrophobicContact CD1-CG 4.43Å; Y57-R61 HydrophobicContact CD2-CG 4.43Å; Y57-R61 HydrophobicContact CE1-CG 4.03Å; Y57-R61 HydrophobicContact CE2-CG 4.02Å; Y57-R61 WeakPolarHBondContact O-CB 3.24Å; Y57-R61 WeakPolarHBondContact O-CG 3.44Å; Y57-R61 PolarHBondContact O-N 2.76Å; Y57-R61 PolarHBondContact OH-NE 3.44Å; Y57-R61 PolarHBondContact OH-NH2 3.2Å; Y57-R61 VanDerWaalsContact OH-NH2 3.09Å
58V90.6Very high83.9Confident64 Ų64103.8 Ų103.839%0.38854%0.537SS..Hα-helixtrans-64.9-46.9177.3171.60000110.6L54 V55 R60 R61 L62L54-V58 HydrophobicContact CD1-CG2 4.4Å; L54-V58 WeakPolarHBondContact O-CB 3.37Å; L54-V58 VanDerWaalsContact O-CG2 3.28Å; L54-V58 WeakPolarHBondContact O-CG2 3.34Å; L54-V58 PolarHBondContact O-N 3.41Å; V55-V58 PolarHBondContact O-N 2.84Å; V58-R60 PolarHBondContact O-N 3.22Å; V58-R61 PolarHBondContact O-N 2.89Å; V58-L62 HydrophobicContact CG1-CD1 3.58Å; V58-L62 HydrophobicContact CG1-CG 4.28Å; V58-L62 WeakPolarHBondContact O-CB 3.35Å; V58-L62 VanDerWaalsContact O-CG 3.22Å; V58-L62 WeakPolarHBondContact O-CG 3.31Å; V58-L62 PolarHBondContact O-N 3.26Å
59I87.7Confident84Confident88 Ų88100.6 Ų100.645%0.45152%0.521SS..Hα-helixtrans-58.9-47.7175.8-67.9168.2000109.9V55 R61 L62 S63V55-I59 HydrophobicContact CG1-CD1 3.64Å; V55-I59 HydrophobicContact CG1-CG1 4.33Å; V55-I59 WeakPolarHBondContact O-CB 3.27Å; V55-I59 VanDerWaalsContact O-CG1 3.24Å; V55-I59 WeakPolarHBondContact O-CG1 3.26Å; V55-I59 PolarHBondContact O-N 3.32Å; I59-R61 PolarHBondContact O-N 2.86Å; I59-L62 CarbonylContact O-C 3.58Å; I59-L62 PolarHBondContact O-N 2.88Å; I59-S63 WeakPolarHBondContact O-CB 3.22Å; I59-S63 PolarHBondContact O-N 3.44Å
60R85.1Confident84.2Confident183 Ų18394.8 Ų94.869%0.69149%0.49SS*.Hα-helixtrans-62-39.4178.2-80.1-176.5146.9113.50.2113.2L56 Y57 V58 L62L56-R60 VanDerWaalsContact O-CB 3.26Å; L56-R60 WeakPolarHBondContact O-CB 3.36Å; L56-R60 VanDerWaalsContact O-CG 3.27Å; L56-R60 WeakPolarHBondContact O-CG 3.28Å; L56-R60 PolarHBondContact O-N 3.25Å; Y57-R60 PolarHBondContact O-N 2.9Å; V58-R60 PolarHBondContact O-N 3.22Å; R60-L62 VanDerWaalsContact C-N 3.35Å
61R79.9Confident84.3Confident164 Ų16489.7 Ų89.762%0.61946%0.463SS*.Hα-helixtrans-66.3-36.9175.6-82.4-71.8-159.2171.84.2112.2Y57 V58 I59Y57-R61 HydrophobicContact CD1-CG 4.43Å; Y57-R61 HydrophobicContact CD2-CG 4.43Å; Y57-R61 HydrophobicContact CE1-CG 4.03Å; Y57-R61 HydrophobicContact CE2-CG 4.02Å; Y57-R61 WeakPolarHBondContact O-CB 3.24Å; Y57-R61 WeakPolarHBondContact O-CG 3.44Å; Y57-R61 PolarHBondContact O-N 2.76Å; Y57-R61 PolarHBondContact OH-NE 3.44Å; Y57-R61 PolarHBondContact OH-NH2 3.2Å; Y57-R61 VanDerWaalsContact OH-NH2 3.09Å; V58-R61 PolarHBondContact O-N 2.89Å; I59-R61 PolarHBondContact O-N 2.86Å
62L74.7Confident84.4Confident134 Ų13485.9 Ų85.970%0.70244%0.44SS*.Hα-helixtrans-80.4-28.1178.5-68.1170.4000112.7V58 I59 R60 T64V58-L62 HydrophobicContact CG1-CD1 3.58Å; V58-L62 HydrophobicContact CG1-CG 4.28Å; V58-L62 WeakPolarHBondContact O-CB 3.35Å; V58-L62 VanDerWaalsContact O-CG 3.22Å; V58-L62 WeakPolarHBondContact O-CG 3.31Å; V58-L62 PolarHBondContact O-N 3.26Å; I59-L62 CarbonylContact O-C 3.58Å; I59-L62 PolarHBondContact O-N 2.88Å; R60-L62 VanDerWaalsContact C-N 3.35Å; L62-T64 VanDerWaalsContact C-N 3.34Å
63S65.2Low84.4Confident87 Ų8782.6 Ų82.661%0.60842%0.42SS*.THydrogen-bonded Turntrans-86.79.6-179.6-900000114.3I59 P65I59-S63 WeakPolarHBondContact O-CB 3.22Å; I59-S63 PolarHBondContact O-N 3.44Å; S63-P65 WeakPolarHBondContact O-CD 3.5Å
64T61.5Low84.4Confident89 Ų8980.8 Ų80.855%0.54640%0.401SS..SBendtrans-58.4121.3168.650.70000107.7L62 K66L62-T64 VanDerWaalsContact C-N 3.34Å; T64-K66 PolarHBondContact O-N 2.93Å
65P60.5Low84.4Confident113 Ų11375.6 Ų75.673%0.73437%0.374SS*.  trans-59.9114.9-178.923.3-31.4000106.6S63 E67S63-P65 WeakPolarHBondContact O-CD 3.5Å; P65-E67 PolarHBondContact O-N 2.91Å
66K68.1Low84.2Confident190 Ų19073.9 Ų73.983%0.82637%0.366SS*.  trans-63.6107.3177.8-71-176.5180178.70106.9T64 K68T64-K66 PolarHBondContact O-N 2.93Å; K66-K68 PolarHBondContact O-N 3.16Å
67E78.7Confident84.1Confident76 Ų7674.1 Ų74.136%0.35538%0.375SS..PPolyproline II helixtrans-58.4121.1172.6-174.4178.7-154.200107.9P65 V105 R114P65-E67 PolarHBondContact O-N 2.91Å; E67-V105 VanDerWaalsContact OE1-CG2 3.26Å; E67-V105 WeakPolarHBondContact OE1-CG2 3.27Å; E67-R114 VanDerWaalsContact CD-NE 3.25Å; E67-R114 VanDerWaalsContact CD-NH2 3.34Å; E67-R114 HydrophobicContact CG-CB 3.97Å; E67-R114 WeakPolarHBondContact OE1-CB 3.31Å; E67-R114 IonicContact OE1-CZ 3.73Å; E67-R114 IonicContact OE1-NE 3.36Å; E67-R114 PolarHBondContact OE1-NE 2.86Å; E67-R114 VanDerWaalsContact OE1-NE 3.13Å; E67-R114 IonicContact OE1-NH2 3.64Å; E67-R114 PolarHBondContact OE1-NH2 3.5Å; E67-R114 IonicContact OE2-CZ 2.81Å; E67-R114 IonicContact OE2-NE 3Å; E67-R114 PolarHBondContact OE2-NE 2.85Å; E67-R114 IonicContact OE2-NH2 3.04Å; E67-R114 PolarHBondContact OE2-NH2 3.17Å
68K88.4Confident84.2Confident64 Ų6468 Ų6828%0.27835%0.351SS..EExtended strand (participates in β ladder)trans-79.9127.4179.7-62.6-172.6-172.1-174.70108.3K66 F112 V113 R114 S138 V278K66-K68 PolarHBondContact O-N 3.16Å; K68-F112 PolarHBondContact N-O 3.09Å; K68-V113 HydrophobicContact CB-CG2 4.4Å; K68-V113 CarbonylContact O-C 3.55Å; K68-V113 WeakPolarHBondContact O-CA 3.48Å; K68-R114 PolarHBondContact O-N 3.02Å; K68-S138 WeakPolarHBondContact CA-OG 3.24Å; K68-S138 WeakPolarHBondContact CB-OG 3.35Å; K68-V278 HydrophobicContact CD-CG1 4.47Å; K68-V278 WeakPolarHBondContact CD-OXT 2.89Å; K68-V278 WeakPolarHBondContact CE-OXT 3.49Å; K68-V278 PolarHBondContact NZ-O 3.44Å; K68-V278 PolarHBondContact NZ-OXT 2.92Å
69I91.2Very high84.3Confident34 Ų3465.6 Ų65.617%0.17434%0.339CS..EExtended strand (participates in β ladder)trans-98.7125.2178.6-57.2175.3000108.1L71 R114 V116 V137 S138 G139I69-L71 HydrophobicContact CG2-CD2 4.11Å; I69-R114 WeakPolarHBondContact CA-O 3.18Å; I69-R114 HydrophobicContact CG1-CB 4.4Å; I69-V116 HydrophobicContact CG2-CG2 4.11Å; I69-V137 HydrophobicContact CG2-CG2 4.21Å; I69-V137 WeakPolarHBondContact O-CG1 3.38Å; I69-S138 PolarHBondContact O-N 3.08Å; I69-G139 PolarHBondContact O-N 2.91Å
70V94.2Very high84.6Confident0 Ų062 Ų620%032%0.32CS..EExtended strand (participates in β ladder)trans-120.9128.3174.4176.60000109.6V113 R114 L115 V116 G139 I141 W274 L275 V278V70-V113 HydrophobicContact CB-CG1 4.02Å; V70-V113 HydrophobicContact CG2-CG1 3.59Å; V70-R114 PolarHBondContact N-O 3Å; V70-L115 HydrophobicContact CB-CD1 4.23Å; V70-L115 HydrophobicContact CG1-CD1 4.01Å; V70-L115 WeakPolarHBondContact O-CA 3.46Å; V70-V116 PolarHBondContact O-N 3Å; V70-G139 VanDerWaalsContact CA-O 3.24Å; V70-G139 WeakPolarHBondContact CA-O 3.26Å; V70-I141 HydrophobicContact CG1-CD1 3.96Å; V70-I141 HydrophobicContact CG1-CG1 3.89Å; V70-W274 HydrophobicContact CG1-CZ3 4.22Å; V70-L275 HydrophobicContact CB-CD2 4.08Å; V70-L275 HydrophobicContact CG1-CD2 3.81Å; V70-L275 HydrophobicContact CG2-CD2 3.98Å; V70-V278 HydrophobicContact CG2-CG1 4.11Å
71L94.7Very high84.9Confident2 Ų254.3 Ų54.31%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-92.7137.5177.8-52.4-174000110.3I69 V116 K132 L133 V137 G139 V140 I141I69-L71 HydrophobicContact CG2-CD2 4.11Å; L71-V116 HydrophobicContact CD2-CB 3.86Å; L71-V116 HydrophobicContact CD2-CG1 4.32Å; L71-V116 HydrophobicContact CD2-CG2 4.21Å; L71-K132 HydrophobicContact CD1-CB 3.84Å; L71-K132 HydrophobicContact CD2-CB 3.72Å; L71-K132 HydrophobicContact CD2-CG 4.26Å; L71-K132 HydrophobicContact CG-CB 4.44Å; L71-L133 HydrophobicContact CD1-CD2 3.71Å; L71-L133 HydrophobicContact CD1-CG 3.96Å; L71-V137 HydrophobicContact CD1-CG1 4.39Å; L71-V137 HydrophobicContact CD1-CG2 3.96Å; L71-V137 HydrophobicContact CD2-CG2 4.08Å; L71-V137 HydrophobicContact CG-CG1 3.93Å; L71-V137 HydrophobicContact CG-CG2 3.89Å; L71-G139 PolarHBondContact N-O 3.33Å; L71-V140 HydrophobicContact CB-CG2 4.39Å; L71-V140 CarbonylContact O-C 3.6Å; L71-V140 WeakPolarHBondContact O-CA 3.34Å; L71-I141 PolarHBondContact O-N 2.84Å
72L94.5Very high85.5Confident2 Ų247.1 Ų47.11%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-107.2106.3170.7-171.167.8000108.4K80 A83 F84 L115 V116 I118 I141 M143L72-K80 HydrophobicContact CD2-CB 4.06Å; L72-K80 WeakPolarHBondContact CD2-O 3.3Å; L72-K80 HydrophobicContact CG-CB 4.13Å; L72-K80 HydrophobicContact CG-CG 4.47Å; L72-A83 HydrophobicContact CD2-CB 4.39Å; L72-F84 HydrophobicContact CD2-CB 3.92Å; L72-L115 HydrophobicContact CB-CD1 4.24Å; L72-V116 PolarHBondContact N-O 2.78Å; L72-I118 WeakPolarHBondContact O-CB 3.41Å; L72-I118 WeakPolarHBondContact O-CG1 3.48Å; L72-I118 PolarHBondContact O-N 3.09Å; L72-I141 WeakPolarHBondContact CA-O 3.33Å; L72-I141 HydrophobicContact CD1-CB 3.63Å; L72-I141 HydrophobicContact CD1-CD1 4.47Å; L72-I141 HydrophobicContact CD1-CG2 3.49Å; L72-I141 VanDerWaalsContact CD1-CG2 3.49Å; L72-M143 HydrophobicContact CD1-CG 3.62Å; L72-M143 HydrophobicContact CD1-SD 3.62Å; L72-M143 HydrophobicContact CD2-SD 4.19Å; L72-M143 HydrophobicContact CG-CG 4.38Å; L72-M143 HydrophobicContact CG-SD 4.1Å
73C93.8Very high86.3Confident1 Ų141 Ų411%0.00724%0.236CC..EExtended strand (participates in β ladder)trans-128.3170.8-175.368.60000111.7K80 I118 I129 V140 I141 F142 M143C73-K80 VanDerWaalsContact C-CD 3.48Å; C73-I118 HydrophobicContact CB-CB 4.45Å; C73-I118 HydrophobicContact CB-CG1 4.43Å; C73-I129 HydrophobicContact CB-CD1 4.23Å; C73-V140 WeakPolarHBondContact SG-CG1 3.49Å; C73-I141 PolarHBondContact N-O 3.19Å; C73-F142 CarbonylContact O-C 3.37Å; C73-F142 WeakPolarHBondContact O-CA 3.47Å; C73-M143 PolarHBondContact O-N 2.9Å
74G94Very high87.7Confident1 Ų137.4 Ų37.41%0.0121%0.21CC..  trans144165.1-173.400000112K80G74-K80 WeakPolarHBondContact O-CE 3.4Å; G74-K80 PolarHBondContact O-NZ 2.81Å
75V92.8Very high89.1Confident1 Ų135.3 Ų35.31%0.00620%0.195CC..SBendtrans-58.7160.3177.7-630000111.9S78 K80 E155 V156V75-S78 WeakPolarHBondContact O-CB 3.09Å; V75-S78 PolarHBondContact O-N 3.31Å; V75-S78 PolarHBondContact O-OG 3.01Å; V75-K80 PolarHBondContact O-NZ 2.77Å; V75-E155 HydrophobicContact CG1-CB 4.24Å; V75-E155 HydrophobicContact CG1-CG 3.86Å; V75-V156 HydrophobicContact CB-CG2 4.47Å; V75-V156 HydrophobicContact CG1-CB 4.46Å; V75-V156 HydrophobicContact CG1-CG2 3.78Å; V75-V156 HydrophobicContact CG2-CG2 3.83Å
76S90.5Very high90.5Very high46 Ų4630.9 Ų30.932%0.32216%0.163SC..THydrogen-bonded Turntrans-53.2149.6173.2-700000111.1S78 G120S76-S78 PolarHBondContact O-N 3.3Å; S76-G120 WeakPolarHBondContact OG-CA 3.29Å; S76-G120 PolarHBondContact OG-O 2.87Å
77S90.1Very high91.6Very high90 Ų9022.4 Ų22.463%0.62913%0.127SC*.THydrogen-bonded Turntrans65.5-2179-52.20000117.5G79 K183S77-G79 PolarHBondContact O-N 2.94Å; S77-G79 VanDerWaalsContact O-N 3.11Å; S77-K183 WeakPolarHBondContact O-CE 3.48Å; S77-K183 PolarHBondContact O-NZ 2.87Å
78S92.8Very high92.1Very high0 Ų022 Ų220%013%0.126CC..SBendtrans-61.7-15173.352.70000115.2V75 S76 K80 M143 N182V75-S78 WeakPolarHBondContact O-CB 3.09Å; V75-S78 PolarHBondContact O-N 3.31Å; V75-S78 PolarHBondContact O-OG 3.01Å; S76-S78 PolarHBondContact O-N 3.3Å; S78-K80 WeakPolarHBondContact OG-CG 3.48Å; S78-M143 WeakPolarHBondContact CB-O 3.45Å; S78-N182 PolarHBondContact O-ND2 3.23Å
79G91.8Very high91.9Very high13 Ų1322 Ų2213%0.13413%0.132CC..SBendtrans96.720.7176.200000115.4S77 V82 A83S77-G79 PolarHBondContact O-N 2.94Å; S77-G79 VanDerWaalsContact O-N 3.11Å; G79-V82 PolarHBondContact O-N 3.42Å; G79-A83 WeakPolarHBondContact O-CB 3.4Å; G79-A83 PolarHBondContact O-N 3.25Å
80K93.2Very high91.6Very high11 Ų1122.3 Ų22.35%0.04814%0.143CC..Hα-helixtrans-50.6-60.6176.1-54.8-178.4-65.8-71.90113.3L72 C73 G74 V75 S78 V82 A83 F84 D117 I118 M143L72-K80 HydrophobicContact CD2-CB 4.06Å; L72-K80 WeakPolarHBondContact CD2-O 3.3Å; L72-K80 HydrophobicContact CG-CB 4.13Å; L72-K80 HydrophobicContact CG-CG 4.47Å; C73-K80 VanDerWaalsContact C-CD 3.48Å; G74-K80 WeakPolarHBondContact O-CE 3.4Å; G74-K80 PolarHBondContact O-NZ 2.81Å; V75-K80 PolarHBondContact O-NZ 2.77Å; S78-K80 WeakPolarHBondContact OG-CG 3.48Å; K80-V82 VanDerWaalsContact C-N 3.3Å; K80-V82 PolarHBondContact O-N 2.8Å; K80-A83 CarbonylContact O-C 3.54Å; K80-A83 WeakPolarHBondContact O-CB 3.39Å; K80-A83 PolarHBondContact O-N 3.16Å; K80-F84 WeakPolarHBondContact O-CB 3.49Å; K80-F84 PolarHBondContact O-N 3.21Å; K80-D117 WeakPolarHBondContact CB-OD1 3.44Å; K80-I118 WeakPolarHBondContact CE-O 3.23Å; K80-M143 WeakPolarHBondContact CA-SD 3.44Å; K80-M143 HydrophobicContact CB-SD 4.33Å; K80-M143 HydrophobicContact CG-CB 4.14Å; K80-M143 HydrophobicContact CG-CG 4.43Å; K80-M143 HydrophobicContact CG-SD 4.23Å
81T92.7Very high91Very high23 Ų2327.6 Ų27.614%0.14117%0.169CC..Hα-helixtrans-62.7-36.9-177.6-44.60000112.4F84 L85 T95 S98 D117T81-F84 PolarHBondContact O-N 3.27Å; T81-L85 HydrophobicContact CG2-CD1 4.36Å; T81-L85 WeakPolarHBondContact O-CB 3.38Å; T81-L85 VanDerWaalsContact O-CG 3.29Å; T81-L85 WeakPolarHBondContact O-CG 3.41Å; T81-L85 PolarHBondContact O-N 3.45Å; T81-T95 HydrophobicContact CG2-CG2 3.86Å; T81-S98 PolarHBondContact OG1-OG 2.67Å; T81-D117 VanDerWaalsContact CA-OD2 3.32Å; T81-D117 WeakPolarHBondContact CA-OD2 3.22Å; T81-D117 WeakPolarHBondContact CB-OD2 3.45Å; T81-D117 PolarHBondContact OG1-OD2 3.35Å
82V92.5Very high90.4Very high13 Ų1331.7 Ų31.78%0.07919%0.187CC..Hα-helixtrans-64.5-45.4174.2-176.80000110.6G79 K80 L85 R86 F92 T95G79-V82 PolarHBondContact O-N 3.42Å; K80-V82 VanDerWaalsContact C-N 3.3Å; K80-V82 PolarHBondContact O-N 2.8Å; V82-L85 PolarHBondContact O-N 3.37Å; V82-R86 WeakPolarHBondContact O-CB 3.33Å; V82-R86 PolarHBondContact O-N 3.31Å; V82-F92 HydrophobicContact CG1-CD2 3.62Å; V82-F92 HydrophobicContact CG1-CE2 3.56Å; V82-T95 HydrophobicContact CG2-CG2 3.77Å; V82-T95 VanDerWaalsContact CG2-OG1 3.27Å; V82-T95 WeakPolarHBondContact CG2-OG1 3.24Å
83A92.1Very high89.8Confident4 Ų434.5 Ų34.53%0.03320%0.202CC..Hα-helixtrans-63.6-42.7176.500000111.9L72 G79 K80 R86 L87 M143 S255L72-A83 HydrophobicContact CD2-CB 4.39Å; G79-A83 WeakPolarHBondContact O-CB 3.4Å; G79-A83 PolarHBondContact O-N 3.25Å; K80-A83 CarbonylContact O-C 3.54Å; K80-A83 WeakPolarHBondContact O-CB 3.39Å; K80-A83 PolarHBondContact O-N 3.16Å; A83-R86 PolarHBondContact O-N 2.57Å; A83-L87 WeakPolarHBondContact O-CB 3.43Å; A83-L87 VanDerWaalsContact O-CG 3.27Å; A83-L87 WeakPolarHBondContact O-CG 3.49Å; A83-L87 PolarHBondContact O-N 2.78Å; A83-M143 HydrophobicContact CB-CE 3.67Å; A83-M143 HydrophobicContact CB-SD 3.55Å; A83-M143 VanDerWaalsContact CB-SD 3.55Å; A83-S255 WeakPolarHBondContact CB-OG 3.35Å
84F93.6Very high89.3Confident13 Ų1340.1 Ų40.16%0.05724%0.238CC..Hα-helixtrans-56.5-55.9174.6173.9-96.6000110.8L72 K80 T81 R86 L87 M88 N102 L115 D117L72-F84 HydrophobicContact CD2-CB 3.92Å; K80-F84 WeakPolarHBondContact O-CB 3.49Å; K80-F84 PolarHBondContact O-N 3.21Å; T81-F84 PolarHBondContact O-N 3.27Å; F84-R86 VanDerWaalsContact C-N 3.29Å; F84-R86 PolarHBondContact O-N 3.14Å; F84-L87 PolarHBondContact O-N 3.38Å; F84-M88 HydrophobicContact CD1-CG 4.39Å; F84-M88 HydrophobicContact CD2-CG 4.31Å; F84-M88 HydrophobicContact CE1-CG 4.06Å; F84-M88 HydrophobicContact CE2-CG 3.97Å; F84-M88 HydrophobicContact CE2-SD 4.33Å; F84-M88 HydrophobicContact CG-CG 4.5Å; F84-M88 HydrophobicContact CZ-CG 3.83Å; F84-M88 HydrophobicContact CZ-SD 4.43Å; F84-M88 WeakPolarHBondContact O-CB 3.45Å; F84-M88 VanDerWaalsContact O-CG 3.22Å; F84-M88 WeakPolarHBondContact O-CG 3.29Å; F84-M88 PolarHBondContact O-N 2.9Å; F84-N102 HydrophobicContact CD1-CB 4.03Å; F84-N102 HydrophobicContact CE1-CB 3.61Å; F84-N102 HydrophobicContact CZ-CB 3.91Å; F84-L115 HydrophobicContact CD2-CB 4.37Å; F84-L115 HydrophobicContact CD2-CD2 3.72Å; F84-L115 HydrophobicContact CD2-CG 3.91Å; F84-L115 HydrophobicContact CE2-CB 4.31Å; F84-L115 HydrophobicContact CE2-CD2 4.39Å; F84-L115 HydrophobicContact CE2-CG 4.34Å; F84-D117 HydrophobicContact CB-CB 4.12Å; F84-D117 HydrophobicContact CD2-CB 4.03Å; F84-D117 HydrophobicContact CG-CB 3.96Å
85L91.8Very high88.9Confident44 Ų4442.8 Ų42.823%0.2325%0.254CS..Hα-helixtrans-60.7-38.5178.8-69176000112T81 V82 M88 T89 L93 T95T81-L85 HydrophobicContact CG2-CD1 4.36Å; T81-L85 WeakPolarHBondContact O-CB 3.38Å; T81-L85 VanDerWaalsContact O-CG 3.29Å; T81-L85 WeakPolarHBondContact O-CG 3.41Å; T81-L85 PolarHBondContact O-N 3.45Å; V82-L85 PolarHBondContact O-N 3.37Å; L85-M88 PolarHBondContact O-N 3.48Å; L85-T89 WeakPolarHBondContact O-CB 2.99Å; L85-T89 PolarHBondContact O-N 3Å; L85-T89 PolarHBondContact O-OG1 2.91Å; L85-L93 HydrophobicContact CD1-CB 4.02Å; L85-L93 HydrophobicContact CD1-CD1 4.33Å; L85-T95 HydrophobicContact CD1-CG2 3.59Å
86R89.8Confident88.4Confident20 Ų2049 Ų498%0.07529%0.292CS..Hα-helixtrans-66.7-39.8177.8-172.868.3179.1-171.77.4112.3V82 A83 F84 G90 M91 F92 L268V82-R86 WeakPolarHBondContact O-CB 3.33Å; V82-R86 PolarHBondContact O-N 3.31Å; A83-R86 PolarHBondContact O-N 2.57Å; F84-R86 VanDerWaalsContact C-N 3.29Å; F84-R86 PolarHBondContact O-N 3.14Å; R86-G90 PolarHBondContact NE-O 2.94Å; R86-G90 PolarHBondContact NH1-O 2.94Å; R86-G90 VanDerWaalsContact NH1-O 3.16Å; R86-G90 WeakPolarHBondContact O-CA 3.27Å; R86-G90 PolarHBondContact O-N 3.39Å; R86-M91 WeakPolarHBondContact CA-O 3.34Å; R86-M91 VanDerWaalsContact CD-O 3.31Å; R86-M91 WeakPolarHBondContact CD-O 3.46Å; R86-F92 VanDerWaalsContact NH1-N 3.12Å; R86-L268 HydrophobicContact CB-CD1 4Å; R86-L268 HydrophobicContact CG-CD1 3.52Å
87L90Very high88Confident13 Ų1352.2 Ų52.27%0.06831%0.31CS..Hα-helixtrans-68-39.7175.5-73.2168.7000111.4A83 F84 L106 L115 L268 V271 K272 L275A83-L87 WeakPolarHBondContact O-CB 3.43Å; A83-L87 VanDerWaalsContact O-CG 3.27Å; A83-L87 WeakPolarHBondContact O-CG 3.49Å; A83-L87 PolarHBondContact O-N 2.78Å; F84-L87 PolarHBondContact O-N 3.38Å; L87-L106 HydrophobicContact CB-CD1 4.06Å; L87-L106 HydrophobicContact CB-CD2 4.31Å; L87-L106 VanDerWaalsContact O-CD2 3.28Å; L87-L106 WeakPolarHBondContact O-CD2 3.4Å; L87-L115 HydrophobicContact CB-CD2 4.42Å; L87-L115 HydrophobicContact CD1-CD2 3.71Å; L87-L268 HydrophobicContact CD2-CB 4.47Å; L87-L268 HydrophobicContact CD2-CD1 4.34Å; L87-L268 HydrophobicContact CG-CD1 4.38Å; L87-V271 HydrophobicContact CD1-CG1 4.21Å; L87-K272 HydrophobicContact CD2-CG 3.76Å; L87-L275 HydrophobicContact CD1-CD1 4.17Å; L87-L275 HydrophobicContact CD2-CD1 4.5Å
88M88.8Confident87.6Confident67 Ų6748.9 Ų48.933%0.3329%0.286SS..Hα-helixtrans-74.6-43.5-177.8-68-59.8-59.600113.4F84 L85 G104 L106F84-M88 HydrophobicContact CD1-CG 4.39Å; F84-M88 HydrophobicContact CD2-CG 4.31Å; F84-M88 HydrophobicContact CE1-CG 4.06Å; F84-M88 HydrophobicContact CE2-CG 3.97Å; F84-M88 HydrophobicContact CE2-SD 4.33Å; F84-M88 HydrophobicContact CG-CG 4.5Å; F84-M88 HydrophobicContact CZ-CG 3.83Å; F84-M88 HydrophobicContact CZ-SD 4.43Å; F84-M88 WeakPolarHBondContact O-CB 3.45Å; F84-M88 VanDerWaalsContact O-CG 3.22Å; F84-M88 WeakPolarHBondContact O-CG 3.29Å; F84-M88 PolarHBondContact O-N 2.9Å; L85-M88 PolarHBondContact O-N 3.48Å; M88-G104 VanDerWaalsContact CE-CA 3.46Å; M88-L106 HydrophobicContact CG-CD2 4.32Å; M88-L106 HydrophobicContact SD-CD2 3.36Å; M88-L106 WeakPolarHBondContact SD-CD2 3.36Å; M88-L106 HydrophobicContact SD-CG 3.7Å
89T86Confident87Confident65 Ų6553 Ų5340%0.39932%0.32SS..Hα-helixtrans-108.1-14.6-170.667.80000113.6L85 M91L85-T89 WeakPolarHBondContact O-CB 2.99Å; L85-T89 PolarHBondContact O-N 3Å; L85-T89 PolarHBondContact O-OG1 2.91Å; T89-M91 PolarHBondContact O-N 2.91Å; T89-M91 VanDerWaalsContact O-N 3.15Å; T89-M91 PolarHBondContact OG1-N 3.12Å; T89-M91 VanDerWaalsContact OG1-N 3.13Å; T89-M91 PolarHBondContact OG1-O 3.03Å
90G83.9Confident86.6Confident40 Ų4056 Ų5641%0.41234%0.34SS..SBendtrans72.2-9.4-168.500000114.2R86R86-G90 PolarHBondContact NE-O 2.94Å; R86-G90 PolarHBondContact NH1-O 2.94Å; R86-G90 VanDerWaalsContact NH1-O 3.16Å; R86-G90 WeakPolarHBondContact O-CA 3.27Å; R86-G90 PolarHBondContact O-N 3.39Å
91M80.7Confident86.3Confident110 Ų11057.6 Ų57.654%0.54235%0.35SS..SBendtrans-101.6153.6-175.5-61.2-171.2-64.300112R86 T89R86-M91 WeakPolarHBondContact CA-O 3.34Å; R86-M91 VanDerWaalsContact CD-O 3.31Å; R86-M91 WeakPolarHBondContact CD-O 3.46Å; T89-M91 PolarHBondContact O-N 2.91Å; T89-M91 VanDerWaalsContact O-N 3.15Å; T89-M91 PolarHBondContact OG1-N 3.12Å; T89-M91 VanDerWaalsContact OG1-N 3.13Å; T89-M91 PolarHBondContact OG1-O 3.03Å
92F82.3Confident86.2Confident88 Ų8859 Ų5939%0.38636%0.357SS..  trans-87.9121.3167.2171.4-102.1000108.3V82 R86 K256V82-F92 HydrophobicContact CG1-CD2 3.62Å; V82-F92 HydrophobicContact CG1-CE2 3.56Å; R86-F92 VanDerWaalsContact NH1-N 3.12Å; F92-K256 HydrophobicContact CD2-CG 4.07Å; F92-K256 HydrophobicContact CE2-CD 4.19Å; F92-K256 HydrophobicContact CE2-CG 3.56Å; F92-K256 HydrophobicContact CZ-CD 4.33Å; F92-K256 HydrophobicContact CZ-CG 4.14Å
93L83Confident86.2Confident62 Ų6262.2 Ų62.233%0.32537%0.371SS..  trans-118.7139.8177.9-63.9176000109.4L85L85-L93 HydrophobicContact CD1-CB 4.02Å; L85-L93 HydrophobicContact CD1-CD1 4.33Å
94P82.5Confident86.1Confident118 Ų11862.5 Ų62.577%0.76637%0.374SS*.  trans-63.7138.217327.9-33.4000109.8
95T85.5Confident86.1Confident58 Ų5864.9 Ų64.936%0.35639%0.389SS..  trans-125.7146.2-176.858.10000111.3T81 V82 L85T81-T95 HydrophobicContact CG2-CG2 3.86Å; V82-T95 HydrophobicContact CG2-CG2 3.77Å; V82-T95 VanDerWaalsContact CG2-OG1 3.27Å; V82-T95 WeakPolarHBondContact CG2-OG1 3.24Å; L85-T95 HydrophobicContact CD1-CG2 3.59Å
96V82.7Confident86Confident131 Ų13163.5 Ų63.579%0.79438%0.382SS*.  trans-104.3171.6164.1-62.80000109.9S98V96-S98 PolarHBondContact O-N 3.39Å
97T82.1Confident86Confident114 Ų11469 Ų6970%0.69941%0.409SS*.  trans-58.6122.3175.8-53.10000110.6A99T97-A99 PolarHBondContact O-N 2.82Å
98S81.5Confident85.7Confident20 Ų2070.2 Ų70.214%0.1442%0.415CS..  trans-69.6127.7178.8-51.10000111.4T81 V96T81-S98 PolarHBondContact OG1-OG 2.67Å; V96-S98 PolarHBondContact O-N 3.39Å
99A80.8Confident85.5Confident86 Ų8670 Ų7071%0.71143%0.431SS*.SBendtrans-89.1-19.7174.300000113.1T97 L124T97-A99 PolarHBondContact O-N 2.82Å; A99-L124 WeakPolarHBondContact O-CD1 3.5Å
100S83.2Confident85.2Confident77 Ų7773.4 Ų73.454%0.53845%0.451SS..SBendtrans-137.8166.1-179.1600000111.1
101T86Confident85.2Confident44 Ų4473.5 Ų73.527%0.2745%0.445SS..  trans-69.4133.1176.154.80000111.3D117 I118 I128T101-D117 VanDerWaalsContact CA-O 3.26Å; T101-D117 WeakPolarHBondContact CA-O 3.41Å; T101-I118 HydrophobicContact CG2-CD1 4.39Å; T101-I128 HydrophobicContact CG2-CB 4.49Å; T101-I128 HydrophobicContact CG2-CD1 3.81Å; T101-I128 HydrophobicContact CG2-CG1 4.36Å; T101-I128 HydrophobicContact CG2-CG2 3.42Å; T101-I128 VanDerWaalsContact CG2-CG2 3.42Å
102N90.9Very high85.6Confident52 Ų5272.9 Ų72.928%0.27844%0.44SS..EExtended strand (participates in β ladder)trans-96135.5168-51.3-63.4000109.2F84 V116 D117F84-N102 HydrophobicContact CD1-CB 4.03Å; F84-N102 HydrophobicContact CE1-CB 3.61Å; F84-N102 HydrophobicContact CZ-CB 3.91Å; N102-V116 CarbonylContact O-C 3.57Å; N102-V116 WeakPolarHBondContact O-CA 3.43Å; N102-D117 HydrophobicContact CB-CB 3.92Å; N102-D117 PolarHBondContact N-O 3.02Å; N102-D117 PolarHBondContact ND2-OD2 2.81Å; N102-D117 PolarHBondContact O-N 2.68Å
103E92.3Very high86Confident81 Ų8168.7 Ų68.738%0.37942%0.422SS..EExtended strand (participates in β ladder)trans-123.6141.1175.6-62.8-165.1-175.800110.4R114 L115 V116 K132E103-R114 IonicContact OE2-NH1 3.02Å; E103-R114 PolarHBondContact OE2-NH1 2.83Å; E103-L115 WeakPolarHBondContact CA-O 3.17Å; E103-V116 HydrophobicContact CG-CB 4.44Å; E103-V116 HydrophobicContact CG-CG1 4.08Å; E103-V116 HydrophobicContact CG-CG2 4.05Å; E103-K132 IonicContact OE1-NZ 3.38Å; E103-K132 PolarHBondContact OE1-NZ 3.25Å
104G91.6Very high86.5Confident9 Ų969.2 Ų69.29%0.09342%0.419CS..EExtended strand (participates in β ladder)trans-152.8145.8177.800000110.9M88 R114 L115M88-G104 VanDerWaalsContact CE-CA 3.46Å; G104-R114 CarbonylContact O-C 3.53Å; G104-R114 WeakPolarHBondContact O-CA 3.26Å; G104-L115 PolarHBondContact N-O 2.84Å; G104-L115 PolarHBondContact O-N 3.36Å
105V92.3Very high87.1Confident64 Ų6463.6 Ų63.639%0.38838%0.383SS..EExtended strand (participates in β ladder)trans-100118.4177-174.60000108.8E67 F112E67-V105 VanDerWaalsContact OE1-CG2 3.26Å; E67-V105 WeakPolarHBondContact OE1-CG2 3.27Å; V105-F112 HydrophobicContact CG1-CB 4.01Å; V105-F112 HydrophobicContact CG1-CD1 4Å; V105-F112 HydrophobicContact CG1-CG 4.46Å
106L90.9Very high87.5Confident15 Ų1560.9 Ų60.98%0.07937%0.366CS..EExtended strand (participates in β ladder)trans-93.9127.7173.8-66.6172000109.3L87 M88 L108 F112 V113 L115 L275L87-L106 HydrophobicContact CB-CD1 4.06Å; L87-L106 HydrophobicContact CB-CD2 4.31Å; L87-L106 VanDerWaalsContact O-CD2 3.28Å; L87-L106 WeakPolarHBondContact O-CD2 3.4Å; M88-L106 HydrophobicContact CG-CD2 4.32Å; M88-L106 HydrophobicContact SD-CD2 3.36Å; M88-L106 WeakPolarHBondContact SD-CD2 3.36Å; M88-L106 HydrophobicContact SD-CG 3.7Å; L106-L108 HydrophobicContact CB-CG 4.45Å; L106-F112 WeakPolarHBondContact O-CA 3.28Å; L106-V113 PolarHBondContact N-O 2.97Å; L106-V113 PolarHBondContact O-N 3.04Å; L106-L115 HydrophobicContact CD1-CB 4.2Å; L106-L115 HydrophobicContact CD1-CD2 3.97Å; L106-L275 HydrophobicContact CD1-CD1 4.06Å
107Q88.6Confident88Confident136 Ų13654.6 Ų54.664%0.63633%0.328SS*.EExtended strand (participates in β ladder)trans-90.6113.1168.4-173.3176.6-9.100109.1G109 F112Q107-G109 PolarHBondContact NE2-O 3.37Å; Q107-F112 HydrophobicContact CB-CD1 4.14Å; Q107-F112 HydrophobicContact CB-CE1 3.95Å; Q107-F112 HydrophobicContact CG-CD1 4.23Å; Q107-F112 HydrophobicContact CG-CE1 3.77Å; Q107-F112 HydrophobicContact CG-CZ 4.29Å
108L85.2Confident88.4Confident37 Ų3749.2 Ų49.219%0.19430%0.295CS..EExtended strand (participates in β ladder)trans-115.492178.4-63.6172.7000108.2L106 T110 S111 V113 L275L106-L108 HydrophobicContact CB-CG 4.45Å; L108-T110 PolarHBondContact O-N 3.15Å; L108-S111 PolarHBondContact N-O 3.32Å; L108-S111 PolarHBondContact O-N 3.4Å; L108-S111 VanDerWaalsContact O-N 3.16Å; L108-V113 HydrophobicContact CD1-CG2 4.16Å; L108-L275 HydrophobicContact CD1-CB 3.36Å; L108-L275 HydrophobicContact CD1-CD1 4.46Å
109G82.7Confident88.8Confident64 Ų6448.3 Ų48.366%0.6629%0.289SS*.THydrogen-bonded Turntrans63.7-116.2-171.500000111.4Q107Q107-G109 PolarHBondContact NE2-O 3.37Å
110T80.8Confident88.7Confident135 Ų13544.4 Ų44.483%0.82826%0.257SS*.THydrogen-bonded Turntrans-92.4-7178.959.70000113.8L108L108-T110 PolarHBondContact O-N 3.15Å
111S83.6Confident88.5Confident42 Ų4242.7 Ų42.729%0.29425%0.248SC..EExtended strand (participates in β ladder)trans-104.1143.9-174.9-65.40000111.5L108L108-S111 PolarHBondContact N-O 3.32Å; L108-S111 PolarHBondContact O-N 3.4Å; L108-S111 VanDerWaalsContact O-N 3.16Å
112F88.7Confident88Confident97 Ų9746.1 Ų46.143%0.42526%0.26SS..EExtended strand (participates in β ladder)trans-107.7126.7174.6-63.7-82.2000109.9K68 V105 L106 Q107K68-F112 PolarHBondContact N-O 3.09Å; V105-F112 HydrophobicContact CG1-CB 4.01Å; V105-F112 HydrophobicContact CG1-CD1 4Å; V105-F112 HydrophobicContact CG1-CG 4.46Å; L106-F112 WeakPolarHBondContact O-CA 3.28Å; Q107-F112 HydrophobicContact CB-CD1 4.14Å; Q107-F112 HydrophobicContact CB-CE1 3.95Å; Q107-F112 HydrophobicContact CG-CD1 4.23Å; Q107-F112 HydrophobicContact CG-CE1 3.77Å; Q107-F112 HydrophobicContact CG-CZ 4.29Å
113V91.9Very high87.2Confident1 Ų152.3 Ų52.31%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-119.5118178.4-178.10000109.1K68 V70 L106 L108 L115 L275K68-V113 HydrophobicContact CB-CG2 4.4Å; K68-V113 CarbonylContact O-C 3.55Å; K68-V113 WeakPolarHBondContact O-CA 3.48Å; V70-V113 HydrophobicContact CB-CG1 4.02Å; V70-V113 HydrophobicContact CG2-CG1 3.59Å; L106-V113 PolarHBondContact N-O 2.97Å; L106-V113 PolarHBondContact O-N 3.04Å; L108-V113 HydrophobicContact CD1-CG2 4.16Å; V113-L115 PolarHBondContact O-N 2.8Å; V113-L275 HydrophobicContact CG1-CD2 4.14Å
114R93Very high86.4Confident72 Ų7251.8 Ų51.827%0.27229%0.287SS..EExtended strand (participates in β ladder)trans-78.5107.4169.7-174.7177-68.4-88.5-12.2109E67 K68 I69 V70 E103 G104 V116E67-R114 VanDerWaalsContact CD-NE 3.25Å; E67-R114 VanDerWaalsContact CD-NH2 3.34Å; E67-R114 HydrophobicContact CG-CB 3.97Å; E67-R114 WeakPolarHBondContact OE1-CB 3.31Å; E67-R114 IonicContact OE1-CZ 3.73Å; E67-R114 IonicContact OE1-NE 3.36Å; E67-R114 PolarHBondContact OE1-NE 2.86Å; E67-R114 VanDerWaalsContact OE1-NE 3.13Å; E67-R114 IonicContact OE1-NH2 3.64Å; E67-R114 PolarHBondContact OE1-NH2 3.5Å; E67-R114 IonicContact OE2-CZ 2.81Å; E67-R114 IonicContact OE2-NE 3Å; E67-R114 PolarHBondContact OE2-NE 2.85Å; E67-R114 IonicContact OE2-NH2 3.04Å; E67-R114 PolarHBondContact OE2-NH2 3.17Å; K68-R114 PolarHBondContact O-N 3.02Å; I69-R114 WeakPolarHBondContact CA-O 3.18Å; I69-R114 HydrophobicContact CG1-CB 4.4Å; V70-R114 PolarHBondContact N-O 3Å; E103-R114 IonicContact OE2-NH1 3.02Å; E103-R114 PolarHBondContact OE2-NH1 2.83Å; G104-R114 CarbonylContact O-C 3.53Å; G104-R114 WeakPolarHBondContact O-CA 3.26Å; R114-V116 HydrophobicContact CG-CG2 4.17Å
115L94.2Very high85.9Confident0 Ų051.8 Ų51.80%028%0.284CS..EExtended strand (participates in β ladder)trans-88.8129172.7-170.964.2000109.3V70 L72 F84 L87 E103 G104 L106 V113 I141V70-L115 HydrophobicContact CB-CD1 4.23Å; V70-L115 HydrophobicContact CG1-CD1 4.01Å; V70-L115 WeakPolarHBondContact O-CA 3.46Å; L72-L115 HydrophobicContact CB-CD1 4.24Å; F84-L115 HydrophobicContact CD2-CB 4.37Å; F84-L115 HydrophobicContact CD2-CD2 3.72Å; F84-L115 HydrophobicContact CD2-CG 3.91Å; F84-L115 HydrophobicContact CE2-CB 4.31Å; F84-L115 HydrophobicContact CE2-CD2 4.39Å; F84-L115 HydrophobicContact CE2-CG 4.34Å; L87-L115 HydrophobicContact CB-CD2 4.42Å; L87-L115 HydrophobicContact CD1-CD2 3.71Å; E103-L115 WeakPolarHBondContact CA-O 3.17Å; G104-L115 PolarHBondContact N-O 2.84Å; G104-L115 PolarHBondContact O-N 3.36Å; L106-L115 HydrophobicContact CD1-CB 4.2Å; L106-L115 HydrophobicContact CD1-CD2 3.97Å; V113-L115 PolarHBondContact O-N 2.8Å; L115-I141 HydrophobicContact CD1-CD1 4.42Å
116V93.6Very high85.3Confident1 Ų152.7 Ų52.71%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-119.2108.7-179.8-176.70000109.3I69 V70 L71 L72 N102 E103 R114 I118 K132I69-V116 HydrophobicContact CG2-CG2 4.11Å; V70-V116 PolarHBondContact O-N 3Å; L71-V116 HydrophobicContact CD2-CB 3.86Å; L71-V116 HydrophobicContact CD2-CG1 4.32Å; L71-V116 HydrophobicContact CD2-CG2 4.21Å; L72-V116 PolarHBondContact N-O 2.78Å; N102-V116 CarbonylContact O-C 3.57Å; N102-V116 WeakPolarHBondContact O-CA 3.43Å; E103-V116 HydrophobicContact CG-CB 4.44Å; E103-V116 HydrophobicContact CG-CG1 4.08Å; E103-V116 HydrophobicContact CG-CG2 4.05Å; R114-V116 HydrophobicContact CG-CG2 4.17Å; V116-I118 HydrophobicContact CG1-CD1 3.85Å; V116-K132 HydrophobicContact CG1-CD 4.33Å
117D93.6Very high84.9Confident0 Ų057.2 Ų57.20%031%0.305CS..EExtended strand (participates in β ladder)trans-76.2119.9172.5-17627.7000110.4K80 T81 F84 T101 N102K80-D117 WeakPolarHBondContact CB-OD1 3.44Å; T81-D117 VanDerWaalsContact CA-OD2 3.32Å; T81-D117 WeakPolarHBondContact CA-OD2 3.22Å; T81-D117 WeakPolarHBondContact CB-OD2 3.45Å; T81-D117 PolarHBondContact OG1-OD2 3.35Å; F84-D117 HydrophobicContact CB-CB 4.12Å; F84-D117 HydrophobicContact CD2-CB 4.03Å; F84-D117 HydrophobicContact CG-CB 3.96Å; T101-D117 VanDerWaalsContact CA-O 3.26Å; T101-D117 WeakPolarHBondContact CA-O 3.41Å; N102-D117 HydrophobicContact CB-CB 3.92Å; N102-D117 PolarHBondContact N-O 3.02Å; N102-D117 PolarHBondContact ND2-OD2 2.81Å; N102-D117 PolarHBondContact O-N 2.68Å
118I91.8Very high84.6Confident0 Ų051.7 Ų51.70%028%0.28CS..PPolyproline II helixtrans-97.3129-179.4-52.4-66.5000109.2L72 C73 K80 T101 V116 I128 I129 K132L72-I118 WeakPolarHBondContact O-CB 3.41Å; L72-I118 WeakPolarHBondContact O-CG1 3.48Å; L72-I118 PolarHBondContact O-N 3.09Å; C73-I118 HydrophobicContact CB-CB 4.45Å; C73-I118 HydrophobicContact CB-CG1 4.43Å; K80-I118 WeakPolarHBondContact CE-O 3.23Å; T101-I118 HydrophobicContact CG2-CD1 4.39Å; V116-I118 HydrophobicContact CG1-CD1 3.85Å; I118-I128 HydrophobicContact CD1-CG2 3.51Å; I118-I128 HydrophobicContact CG2-CB 4.47Å; I118-I128 HydrophobicContact CG2-CG2 4.37Å; I118-I129 HydrophobicContact CG2-CD1 4.49Å; I118-I129 HydrophobicContact CG2-CG1 4.04Å; I118-K132 HydrophobicContact CD1-CG 4.37Å
119P88.7Confident84.4Confident1 Ų150.1 Ų50.11%0.00627%0.272CS..PPolyproline II helixtrans-51144173.1-29.636.5000113.3L124 I128P119-L124 HydrophobicContact CB-CB 4.39Å; P119-L124 HydrophobicContact CB-CD1 4.43Å; P119-I128 HydrophobicContact CG-CD1 4.15Å
120G78.6Confident84.4Confident5 Ų550.1 Ų50.15%0.05226%0.256CS..SBendtrans-78.9-17.5178.600000114.6S76 E122 R125S76-G120 WeakPolarHBondContact OG-CA 3.29Å; S76-G120 PolarHBondContact OG-O 2.87Å; G120-E122 PolarHBondContact O-N 3.13Å; G120-R125 PolarHBondContact O-NE 2.84Å; G120-R125 PolarHBondContact O-NH2 3.21Å
121A79.7Confident84.6Confident41 Ų4148.4 Ų48.434%0.33924%0.239SC..SBendtrans-65.5132.2-179.400000111E123 L124 R125A121-E123 PolarHBondContact O-N 2.96Å; A121-L124 PolarHBondContact O-N 3.03Å; A121-R125 WeakPolarHBondContact O-CB 3.34Å; A121-R125 PolarHBondContact O-N 2.93Å
122E75.1Confident84.6Confident115 Ų11548 Ų4854%0.53723%0.232SC..Hα-helixtrans-56.5-46.5-168.9-169.8-178.1170.400113.3G120 L124 R125 K126G120-E122 PolarHBondContact O-N 3.13Å; E122-L124 PolarHBondContact O-N 3.26Å; E122-R125 PolarHBondContact O-N 2.95Å; E122-K126 PolarHBondContact O-N 2.69Å; E122-K126 WeakPolarHBondContact OE1-CE 3.46Å; E122-K126 IonicContact OE1-NZ 2.93Å; E122-K126 PolarHBondContact OE1-NZ 2.95Å
123E74.3Confident84.2Confident182 Ų18243.8 Ų43.885%0.8521%0.214SC*.Hα-helixtrans-60.6-46.5-176.5-62.8177.1176.200112.5A121A121-E123 PolarHBondContact O-N 2.96Å
124L75.7Confident83.5Confident71 Ų7150.2 Ų50.237%0.37224%0.241SC..Hα-helixtrans-72.5-37.9179.1-63.7177.4000111.4A99 P119 A121 E122 K126 I128A99-L124 WeakPolarHBondContact O-CD1 3.5Å; P119-L124 HydrophobicContact CB-CB 4.39Å; P119-L124 HydrophobicContact CB-CD1 4.43Å; A121-L124 PolarHBondContact O-N 3.03Å; E122-L124 PolarHBondContact O-N 3.26Å; L124-K126 PolarHBondContact O-N 3.39Å; L124-I128 HydrophobicContact CB-CD1 3.98Å; L124-I128 WeakPolarHBondContact O-CB 3.45Å; L124-I128 VanDerWaalsContact O-CD1 3.27Å; L124-I128 WeakPolarHBondContact O-CD1 3.43Å; L124-I128 WeakPolarHBondContact O-CG1 3.34Å; L124-I128 PolarHBondContact O-N 2.85Å
125R80.9Confident82.9Confident8 Ų853.6 Ų53.63%0.0326%0.258CS..Hα-helixtrans-59-49.8-174.4174.6161.435134.3-16.4112G120 A121 E122 I129 E155 L159G120-R125 PolarHBondContact O-NE 2.84Å; G120-R125 PolarHBondContact O-NH2 3.21Å; A121-R125 WeakPolarHBondContact O-CB 3.34Å; A121-R125 PolarHBondContact O-N 2.93Å; E122-R125 PolarHBondContact O-N 2.95Å; R125-I129 HydrophobicContact CG-CD1 3.58Å; R125-I129 VanDerWaalsContact O-CB 3.29Å; R125-I129 WeakPolarHBondContact O-CB 3.36Å; R125-I129 WeakPolarHBondContact O-CD1 3.29Å; R125-I129 WeakPolarHBondContact O-CG1 3.31Å; R125-I129 PolarHBondContact O-N 3.5Å; R125-E155 IonicContact CZ-OE1 3.05Å; R125-E155 IonicContact NH1-OE1 2.96Å; R125-E155 IonicContact NH2-OE1 3.97Å; R125-E155 PolarHBondContact NH2-OE1 3.16Å; R125-L159 HydrophobicContact CG-CD1 3.86Å; R125-L159 VanDerWaalsContact NH1-CD2 3.28Å
126K79.6Confident82Confident84 Ų8458.4 Ų58.437%0.36529%0.292SS..Hα-helixtrans-65.2-45.5-176.7-62.6-170.9-169.5-170.70112.4E122 L124 L130 E162E122-K126 PolarHBondContact O-N 2.69Å; E122-K126 WeakPolarHBondContact OE1-CE 3.46Å; E122-K126 IonicContact OE1-NZ 2.93Å; E122-K126 PolarHBondContact OE1-NZ 2.95Å; L124-K126 PolarHBondContact O-N 3.39Å; K126-L130 WeakPolarHBondContact O-CB 3.27Å; K126-L130 PolarHBondContact O-N 2.89Å; K126-L130 VanDerWaalsContact O-N 3.11Å; K126-E162 WeakPolarHBondContact CE-OE1 3.4Å; K126-E162 WeakPolarHBondContact CE-OE2 3.47Å; K126-E162 IonicContact NZ-OE1 3.78Å; K126-E162 PolarHBondContact NZ-OE1 2.8Å; K126-E162 IonicContact NZ-OE2 2.91Å
127M82.5Confident81.7Confident110 Ų11058.7 Ų58.754%0.54229%0.293SS..Hα-helixtrans-61.4-51.1179.2-176.3-174.3123.600111.2L130 E131M127-L130 PolarHBondContact O-N 3.48Å; M127-E131 WeakPolarHBondContact O-CG 3.01Å; M127-E131 PolarHBondContact O-N 2.86Å
128I81.9Confident81.6Confident19 Ų1960 Ų6010%0.09730%0.303CS..Hα-helixtrans-67.4-42.3-175.9-61.4163.9000110.7T101 I118 P119 L124 L130 E131 K132T101-I128 HydrophobicContact CG2-CB 4.49Å; T101-I128 HydrophobicContact CG2-CD1 3.81Å; T101-I128 HydrophobicContact CG2-CG1 4.36Å; T101-I128 HydrophobicContact CG2-CG2 3.42Å; T101-I128 VanDerWaalsContact CG2-CG2 3.42Å; I118-I128 HydrophobicContact CD1-CG2 3.51Å; I118-I128 HydrophobicContact CG2-CB 4.47Å; I118-I128 HydrophobicContact CG2-CG2 4.37Å; P119-I128 HydrophobicContact CG-CD1 4.15Å; L124-I128 HydrophobicContact CB-CD1 3.98Å; L124-I128 WeakPolarHBondContact O-CB 3.45Å; L124-I128 VanDerWaalsContact O-CD1 3.27Å; L124-I128 WeakPolarHBondContact O-CD1 3.43Å; L124-I128 WeakPolarHBondContact O-CG1 3.34Å; L124-I128 PolarHBondContact O-N 2.85Å; I128-L130 VanDerWaalsContact C-N 3.33Å; I128-L130 PolarHBondContact O-N 3.21Å; I128-E131 PolarHBondContact O-N 3.29Å; I128-K132 HydrophobicContact CG2-CG 3.96Å; I128-K132 WeakPolarHBondContact O-CB 3.46Å; I128-K132 WeakPolarHBondContact O-CG 3.39Å; I128-K132 PolarHBondContact O-N 3.17Å
129I81.6Confident81.7Confident5 Ų560 Ų603%0.02630%0.303CS..Hα-helixtrans-58.2-47.8177.1-72.5170.3000110C73 I118 R125 E131 K132 L133 L159 V163 L166C73-I129 HydrophobicContact CB-CD1 4.23Å; I118-I129 HydrophobicContact CG2-CD1 4.49Å; I118-I129 HydrophobicContact CG2-CG1 4.04Å; R125-I129 HydrophobicContact CG-CD1 3.58Å; R125-I129 VanDerWaalsContact O-CB 3.29Å; R125-I129 WeakPolarHBondContact O-CB 3.36Å; R125-I129 WeakPolarHBondContact O-CD1 3.29Å; R125-I129 WeakPolarHBondContact O-CG1 3.31Å; R125-I129 PolarHBondContact O-N 3.5Å; I129-E131 PolarHBondContact O-N 3.16Å; I129-K132 PolarHBondContact O-N 3.5Å; I129-L133 HydrophobicContact CG2-CD1 3.5Å; I129-L133 HydrophobicContact CG2-CG 4.03Å; I129-L133 VanDerWaalsContact O-CB 3.28Å; I129-L133 WeakPolarHBondContact O-CB 3.45Å; I129-L133 WeakPolarHBondContact O-CG 3.24Å; I129-L133 PolarHBondContact O-N 3.13Å; I129-L159 HydrophobicContact CD1-CD1 4.34Å; I129-V163 HydrophobicContact CD1-CG2 4.14Å; I129-V163 HydrophobicContact CG2-CG2 4.45Å; I129-L166 HydrophobicContact CG2-CD1 3.94Å
130L82.8Confident82Confident64 Ų6460 Ų6034%0.33530%0.303SS..Hα-helixtrans-60.9-45.9179179.963.9000111.9K126 M127 I128 K134 L166K126-L130 WeakPolarHBondContact O-CB 3.27Å; K126-L130 PolarHBondContact O-N 2.89Å; K126-L130 VanDerWaalsContact O-N 3.11Å; M127-L130 PolarHBondContact O-N 3.48Å; I128-L130 VanDerWaalsContact C-N 3.33Å; I128-L130 PolarHBondContact O-N 3.21Å; L130-K134 VanDerWaalsContact O-CG 3.29Å; L130-K134 WeakPolarHBondContact O-CG 2.97Å; L130-K134 PolarHBondContact O-N 2.9Å; L130-L166 HydrophobicContact CD1-CD2 3.84Å
131E84.6Confident82.8Confident98 Ų9859.9 Ų59.946%0.45830%0.301SS..Hα-helixtrans-63.3-41.9178.5-74.7-174.3166.500112.8M127 I128 I129M127-E131 WeakPolarHBondContact O-CG 3.01Å; M127-E131 PolarHBondContact O-N 2.86Å; I128-E131 PolarHBondContact O-N 3.29Å; I129-E131 PolarHBondContact O-N 3.16Å
132K83.2Confident83.6Confident34 Ų3458 Ų5815%0.14829%0.285CS..Hα-helixtrans-73.7-42.7-178.7-66.2-69.7177.7177.90111.5L71 E103 V116 I118 I128 I129 K134 K135 V137L71-K132 HydrophobicContact CD1-CB 3.84Å; L71-K132 HydrophobicContact CD2-CB 3.72Å; L71-K132 HydrophobicContact CD2-CG 4.26Å; L71-K132 HydrophobicContact CG-CB 4.44Å; E103-K132 IonicContact OE1-NZ 3.38Å; E103-K132 PolarHBondContact OE1-NZ 3.25Å; V116-K132 HydrophobicContact CG1-CD 4.33Å; I118-K132 HydrophobicContact CD1-CG 4.37Å; I128-K132 HydrophobicContact CG2-CG 3.96Å; I128-K132 WeakPolarHBondContact O-CB 3.46Å; I128-K132 WeakPolarHBondContact O-CG 3.39Å; I128-K132 PolarHBondContact O-N 3.17Å; I129-K132 PolarHBondContact O-N 3.5Å; K132-K134 PolarHBondContact O-N 3.17Å; K132-K135 WeakPolarHBondContact O-CB 3.3Å; K132-K135 PolarHBondContact O-N 3.16Å; K132-V137 VanDerWaalsContact O-CG2 3.3Å; K132-V137 WeakPolarHBondContact O-CG2 3.45Å
133L80.3Confident84.6Confident9 Ų952.6 Ų52.65%0.04726%0.26CS..Hα-helixtrans-61.6-32.6178-71.8177.9000112.4L71 I129 K135 S136 V137 V140 L166 L167 L170L71-L133 HydrophobicContact CD1-CD2 3.71Å; L71-L133 HydrophobicContact CD1-CG 3.96Å; I129-L133 HydrophobicContact CG2-CD1 3.5Å; I129-L133 HydrophobicContact CG2-CG 4.03Å; I129-L133 VanDerWaalsContact O-CB 3.28Å; I129-L133 WeakPolarHBondContact O-CB 3.45Å; I129-L133 WeakPolarHBondContact O-CG 3.24Å; I129-L133 PolarHBondContact O-N 3.13Å; L133-K135 PolarHBondContact O-N 3.09Å; L133-S136 PolarHBondContact O-N 2.77Å; L133-V137 HydrophobicContact CD2-CB 4.07Å; L133-V137 HydrophobicContact CD2-CG1 4.26Å; L133-V137 HydrophobicContact CD2-CG2 4.09Å; L133-V140 HydrophobicContact CD2-CG2 4.05Å; L133-L166 HydrophobicContact CD1-CB 3.71Å; L133-L166 HydrophobicContact CD1-CD1 4.21Å; L133-L167 HydrophobicContact CD2-CD2 3.59Å; L133-L167 HydrophobicContact CD2-CG 4.34Å; L133-L170 HydrophobicContact CB-CD1 3.42Å; L133-L170 VanDerWaalsContact CB-CD1 3.42Å; L133-L170 HydrophobicContact CD1-CD1 4.45Å
134K78.9Confident85.7Confident135 Ų13544 Ų4459%0.58722%0.22SC*.THydrogen-bonded Turntrans-61.9-22.7172.9-76.3172.9-178.8178.40113.6L130 K132 S136 L170L130-K134 VanDerWaalsContact O-CG 3.29Å; L130-K134 WeakPolarHBondContact O-CG 2.97Å; L130-K134 PolarHBondContact O-N 2.9Å; K132-K134 PolarHBondContact O-N 3.17Å; K134-S136 PolarHBondContact O-N 3.14Å; K134-L170 HydrophobicContact CG-CD2 4.14Å
135K78.5Confident86.6Confident143 Ų14340.9 Ų40.962%0.62220%0.203SC*.THydrogen-bonded Turntrans-85.721.3-178.5-64.4-175.3179.4-176.90114.1K132 L133K132-K135 WeakPolarHBondContact O-CB 3.3Å; K132-K135 PolarHBondContact O-N 3.16Å; L133-K135 PolarHBondContact O-N 3.09Å
136S76.3Confident87.3Confident102 Ų10240.5 Ų40.571%0.71320%0.202SC*.THydrogen-bonded Turntrans59.976.4-177.9-60.90000113.3L133 K134L133-S136 PolarHBondContact O-N 2.77Å; K134-S136 PolarHBondContact O-N 3.14Å
137V88.1Confident88.1Confident6 Ų637.9 Ų37.94%0.03619%0.194CC..  trans-77.1137.5176.7168.90000110.7I69 L71 K132 L133 G139 V140I69-V137 HydrophobicContact CG2-CG2 4.21Å; I69-V137 WeakPolarHBondContact O-CG1 3.38Å; L71-V137 HydrophobicContact CD1-CG1 4.39Å; L71-V137 HydrophobicContact CD1-CG2 3.96Å; L71-V137 HydrophobicContact CD2-CG2 4.08Å; L71-V137 HydrophobicContact CG-CG1 3.93Å; L71-V137 HydrophobicContact CG-CG2 3.89Å; K132-V137 VanDerWaalsContact O-CG2 3.3Å; K132-V137 WeakPolarHBondContact O-CG2 3.45Å; L133-V137 HydrophobicContact CD2-CB 4.07Å; L133-V137 HydrophobicContact CD2-CG1 4.26Å; L133-V137 HydrophobicContact CD2-CG2 4.09Å; V137-G139 WeakPolarHBondContact CG1-O 3.47Å; V137-V140 HydrophobicContact CG1-CG2 4.13Å
138S90.8Very high88.7Confident28 Ų2834.3 Ų34.320%0.19618%0.179CC..SBendtrans-86.2-25.4177.1-49.80000112.4K68 I69 A175 K176 V278K68-S138 WeakPolarHBondContact CA-OG 3.24Å; K68-S138 WeakPolarHBondContact CB-OG 3.35Å; I69-S138 PolarHBondContact O-N 3.08Å; S138-A175 WeakPolarHBondContact O-CA 3.32Å; S138-K176 PolarHBondContact O-N 3.36Å; S138-K176 VanDerWaalsContact O-N 3.17Å; S138-V278 VanDerWaalsContact CB-CG1 3.46Å; S138-V278 WeakPolarHBondContact O-CG1 3.47Å
139G93.4Very high89.3Confident0 Ų033.5 Ų33.50%017%0.174CC..EExtended strand (participates in β ladder)trans-167.1167.5171.600000115.1I69 V70 L71 V137 K176I69-G139 PolarHBondContact O-N 2.91Å; V70-G139 VanDerWaalsContact CA-O 3.24Å; V70-G139 WeakPolarHBondContact CA-O 3.26Å; L71-G139 PolarHBondContact N-O 3.33Å; V137-G139 WeakPolarHBondContact CG1-O 3.47Å; G139-K176 CarbonylContact C-O 3.58Å; G139-K176 WeakPolarHBondContact CA-O 3.13Å
140V94.9Very high89.9Confident1 Ų139.6 Ų39.61%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-130122.7177.7-179.60000109L71 C73 L133 V137 V163 L167 K176 V177 L178L71-V140 HydrophobicContact CB-CG2 4.39Å; L71-V140 CarbonylContact O-C 3.6Å; L71-V140 WeakPolarHBondContact O-CA 3.34Å; C73-V140 WeakPolarHBondContact SG-CG1 3.49Å; L133-V140 HydrophobicContact CD2-CG2 4.05Å; V137-V140 HydrophobicContact CG1-CG2 4.13Å; V140-V163 HydrophobicContact CG1-CG1 4.09Å; V140-L167 HydrophobicContact CG2-CD1 4.15Å; V140-L167 HydrophobicContact CG2-CD2 4.19Å; V140-K176 PolarHBondContact N-O 3.04Å; V140-V177 HydrophobicContact CB-CG2 4.44Å; V140-V177 CarbonylContact O-C 3.37Å; V140-V177 VanDerWaalsContact O-CA 3.27Å; V140-V177 WeakPolarHBondContact O-CA 3.49Å; V140-L178 PolarHBondContact O-N 2.86Å
141I96.7Very high90.4Very high3 Ų345.8 Ų45.82%0.01522%0.222CC..EExtended strand (participates in β ladder)trans-95.9111.4168.6-58.7172.4000107.3V70 L71 L72 C73 L115 M143 L178 A180 V271 W274 L275V70-I141 HydrophobicContact CG1-CD1 3.96Å; V70-I141 HydrophobicContact CG1-CG1 3.89Å; L71-I141 PolarHBondContact O-N 2.84Å; L72-I141 WeakPolarHBondContact CA-O 3.33Å; L72-I141 HydrophobicContact CD1-CB 3.63Å; L72-I141 HydrophobicContact CD1-CD1 4.47Å; L72-I141 HydrophobicContact CD1-CG2 3.49Å; L72-I141 VanDerWaalsContact CD1-CG2 3.49Å; C73-I141 PolarHBondContact N-O 3.19Å; L115-I141 HydrophobicContact CD1-CD1 4.42Å; I141-M143 HydrophobicContact CG2-CG 4.18Å; I141-L178 CarbonylContact C-O 3.57Å; I141-L178 WeakPolarHBondContact CA-O 3.35Å; I141-L178 HydrophobicContact CG1-CB 4.27Å; I141-L178 HydrophobicContact CG1-CD2 4.3Å; I141-L178 HydrophobicContact CG2-CD2 4.39Å; I141-A180 HydrophobicContact CG2-CB 3.92Å; I141-V271 HydrophobicContact CD1-CG1 3.93Å; I141-W274 HydrophobicContact CD1-CE3 4.37Å; I141-W274 HydrophobicContact CD1-CZ3 4.16Å; I141-W274 HydrophobicContact CG1-CE3 4.14Å; I141-W274 HydrophobicContact CG1-CH2 4.32Å; I141-W274 HydrophobicContact CG1-CZ3 3.62Å; I141-L275 HydrophobicContact CD1-CD1 4.39Å; I141-L275 HydrophobicContact CD1-CD2 3.77Å; I141-L275 HydrophobicContact CD1-CG 4.11Å
142F96.5Very high90.8Very high0 Ų043.7 Ų43.70%021%0.213CC..EExtended strand (participates in β ladder)trans-96.5106.9176.4-168.2-84.6000109.6C73 I144 V156 L159 L160 L178 I179 A180C73-F142 CarbonylContact O-C 3.37Å; C73-F142 WeakPolarHBondContact O-CA 3.47Å; F142-I144 HydrophobicContact CD1-CD1 4.12Å; F142-I144 HydrophobicContact CD1-CG1 3.76Å; F142-I144 HydrophobicContact CE1-CD1 4.1Å; F142-I144 HydrophobicContact CE1-CG1 3.74Å; F142-V156 HydrophobicContact CE1-CG1 3.96Å; F142-V156 HydrophobicContact CZ-CG1 4.42Å; F142-V156 WeakPolarHBondContact CZ-O 3.27Å; F142-L159 HydrophobicContact CE2-CB 4.25Å; F142-L159 HydrophobicContact CE2-CD2 3.57Å; F142-L159 HydrophobicContact CE2-CG 3.76Å; F142-L159 HydrophobicContact CZ-CB 4.21Å; F142-L159 HydrophobicContact CZ-CD2 3.81Å; F142-L159 HydrophobicContact CZ-CG 4.15Å; F142-L160 HydrophobicContact CB-CD1 4.42Å; F142-L160 HydrophobicContact CD1-CD1 4.2Å; F142-L160 HydrophobicContact CD2-CD1 3.87Å; F142-L160 HydrophobicContact CE1-CB 4.11Å; F142-L160 HydrophobicContact CE1-CD1 4.44Å; F142-L160 HydrophobicContact CE2-CB 3.9Å; F142-L160 HydrophobicContact CE2-CD1 4.11Å; F142-L160 HydrophobicContact CG-CD1 3.91Å; F142-L160 HydrophobicContact CZ-CB 3.68Å; F142-L160 HydrophobicContact CZ-CD1 4.41Å; F142-L178 PolarHBondContact N-O 3.47Å; F142-I179 HydrophobicContact CB-CG1 4.43Å; F142-I179 WeakPolarHBondContact O-CA 3.41Å; F142-A180 PolarHBondContact O-N 2.99Å
143M95.7Very high91.3Very high3 Ų343.3 Ų43.32%0.01521%0.214CC..EExtended strand (participates in β ladder)trans-88.5133.6-178-66.9-161.171.900112.3L72 C73 S78 K80 A83 I141 A180 N182L72-M143 HydrophobicContact CD1-CG 3.62Å; L72-M143 HydrophobicContact CD1-SD 3.62Å; L72-M143 HydrophobicContact CD2-SD 4.19Å; L72-M143 HydrophobicContact CG-CG 4.38Å; L72-M143 HydrophobicContact CG-SD 4.1Å; C73-M143 PolarHBondContact O-N 2.9Å; S78-M143 WeakPolarHBondContact CB-O 3.45Å; K80-M143 WeakPolarHBondContact CA-SD 3.44Å; K80-M143 HydrophobicContact CB-SD 4.33Å; K80-M143 HydrophobicContact CG-CB 4.14Å; K80-M143 HydrophobicContact CG-CG 4.43Å; K80-M143 HydrophobicContact CG-SD 4.23Å; A83-M143 HydrophobicContact CB-CE 3.67Å; A83-M143 HydrophobicContact CB-SD 3.55Å; A83-M143 VanDerWaalsContact CB-SD 3.55Å; I141-M143 HydrophobicContact CG2-CG 4.18Å; M143-A180 WeakPolarHBondContact CA-O 3.45Å; M143-A180 HydrophobicContact CG-CB 4.35Å; M143-N182 HydrophobicContact CE-CB 3.58Å; M143-N182 VanDerWaalsContact CE-CG 3.44Å; M143-N182 WeakPolarHBondContact CE-ND2 3.4Å
144I96.5Very high92Very high0 Ų049.6 Ų49.60%024%0.241CC..EExtended strand (participates in β ladder)trans-120.7136.2177.9-58.9-179000109.2F142 S146 Y149 V156 I179 A180 N182 L195 L199F142-I144 HydrophobicContact CD1-CD1 4.12Å; F142-I144 HydrophobicContact CD1-CG1 3.76Å; F142-I144 HydrophobicContact CE1-CD1 4.1Å; F142-I144 HydrophobicContact CE1-CG1 3.74Å; I144-S146 PolarHBondContact O-N 2.79Å; I144-Y149 HydrophobicContact CG2-CD2 3.84Å; I144-V156 HydrophobicContact CD1-CG1 3.9Å; I144-V156 HydrophobicContact CG1-CG1 4.01Å; I144-V156 HydrophobicContact CG2-CG1 4.37Å; I144-I179 HydrophobicContact CD1-CG2 3.56Å; I144-I179 HydrophobicContact CG1-CG2 4.32Å; I144-A180 PolarHBondContact N-O 2.71Å; I144-N182 WeakPolarHBondContact O-CA 3.47Å; I144-N182 WeakPolarHBondContact O-CB 3.48Å; I144-N182 PolarHBondContact O-N 2.82Å; I144-L195 HydrophobicContact CG2-CD1 4.42Å; I144-L199 HydrophobicContact CD1-CD1 3.77Å
145D95.7Very high92.7Very high6 Ų647 Ų473%0.03223%0.231CC..EExtended strand (participates in β ladder)trans-74.5104.5162.8-173.7-17.5000109.4S147 T148 Y149 K183D145-S147 PolarHBondContact O-N 2.83Å; D145-S147 WeakPolarHBondContact OD1-CA 3.26Å; D145-S147 WeakPolarHBondContact OD1-CB 3.49Å; D145-S147 PolarHBondContact OD1-N 3.44Å; D145-S147 PolarHBondContact OD1-OG 3.21Å; D145-T148 WeakPolarHBondContact CB-OG1 3.46Å; D145-T148 PolarHBondContact OD1-N 3.24Å; D145-T148 PolarHBondContact OD2-OG1 3.28Å; D145-Y149 PolarHBondContact O-N 3.45Å; D145-Y149 VanDerWaalsContact O-N 3.09Å; D145-K183 WeakPolarHBondContact OD1-CD 3.44Å; D145-K183 WeakPolarHBondContact OD2-CD 3.15Å; D145-K183 WeakPolarHBondContact OD2-CE 3.21Å; D145-K183 IonicContact OD2-NZ 2.87Å; D145-K183 PolarHBondContact OD2-NZ 2.95Å
146S95.7Very high93.5Very high0 Ų040.2 Ų40.20%020%0.202CC..THydrogen-bonded Turntrans-70.6-17.5-177.2-48.20000113.1I144 C181 N182 Q184 K190I144-S146 PolarHBondContact O-N 2.79Å; S146-C181 VanDerWaalsContact OG-CA 3.29Å; S146-C181 WeakPolarHBondContact OG-CA 3.21Å; S146-C181 VanDerWaalsContact OG-CB 3.31Å; S146-C181 WeakPolarHBondContact OG-CB 3.36Å; S146-C181 PolarHBondContact OG-O 3.37Å; S146-N182 WeakPolarHBondContact CB-O 3.21Å; S146-N182 PolarHBondContact N-O 3.36Å; S146-N182 PolarHBondContact OG-N 3.47Å; S146-N182 PolarHBondContact OG-O 3.3Å; S146-Q184 VanDerWaalsContact CB-NE2 3.33Å; S146-Q184 PolarHBondContact OG-NE2 2.94Å; S146-K190 VanDerWaalsContact CB-O 3.27Å; S146-K190 WeakPolarHBondContact CB-O 3.28Å; S146-K190 WeakPolarHBondContact O-CG 3.22Å; S146-K190 PolarHBondContact O-N 3.25Å
147S95.1Very high94.3Very high29 Ų2935.4 Ų35.420%0.20317%0.168CC..THydrogen-bonded Turntrans-84.5-28.8-177.674.70000113.1D145 L186 S188D145-S147 PolarHBondContact O-N 2.83Å; D145-S147 WeakPolarHBondContact OD1-CA 3.26Å; D145-S147 WeakPolarHBondContact OD1-CB 3.49Å; D145-S147 PolarHBondContact OD1-N 3.44Å; D145-S147 PolarHBondContact OD1-OG 3.21Å; S147-L186 WeakPolarHBondContact OG-CD1 3.42Å; S147-S188 WeakPolarHBondContact CB-OG 3.21Å
148T94.9Very high94.5Very high35 Ų3538.7 Ų38.722%0.21518%0.183CC..THydrogen-bonded Turntrans-111.91-179.559.80000113.6D145 Y150 K151 E152D145-T148 WeakPolarHBondContact CB-OG1 3.46Å; D145-T148 PolarHBondContact OD1-N 3.24Å; D145-T148 PolarHBondContact OD2-OG1 3.28Å; T148-Y150 VanDerWaalsContact C-N 3.33Å; T148-Y150 PolarHBondContact O-N 2.71Å; T148-K151 WeakPolarHBondContact O-CB 3.43Å; T148-K151 PolarHBondContact O-N 3.23Å; T148-E152 PolarHBondContact O-N 2.96Å; T148-E152 PolarHBondContact OG1-OE1 2.74Å; T148-E152 VanDerWaalsContact OG1-OE1 3.1Å; T148-E152 PolarHBondContact OG1-OE2 3.36Å
149Y94.9Very high94.6Very high2 Ų237.7 Ų37.71%0.00818%0.175CC..Hα-helixtrans-42.7-50-173.6172.1-99.7000114.7I144 D145 K151 E152 S153 V156 L195 S198 L199I144-Y149 HydrophobicContact CG2-CD2 3.84Å; D145-Y149 PolarHBondContact O-N 3.45Å; D145-Y149 VanDerWaalsContact O-N 3.09Å; Y149-K151 VanDerWaalsContact C-N 3.26Å; Y149-K151 PolarHBondContact O-N 2.82Å; Y149-E152 CarbonylContact O-C 3.53Å; Y149-E152 PolarHBondContact O-N 2.87Å; Y149-E152 VanDerWaalsContact O-N 3.07Å; Y149-S153 WeakPolarHBondContact O-CA 3.14Å; Y149-S153 WeakPolarHBondContact O-CB 3.48Å; Y149-S153 PolarHBondContact O-N 3.44Å; Y149-V156 HydrophobicContact CD2-CG1 4.32Å; Y149-V156 HydrophobicContact CE2-CG1 4.1Å; Y149-L195 HydrophobicContact CD1-CD2 3.18Å; Y149-L195 HydrophobicContact CD2-CD2 4.12Å; Y149-L195 HydrophobicContact CE1-CD2 3.61Å; Y149-L195 HydrophobicContact CE2-CD2 4.48Å; Y149-L195 HydrophobicContact CG-CD1 4.47Å; Y149-L195 HydrophobicContact CG-CD2 3.45Å; Y149-L195 VanDerWaalsContact CG-CD2 3.45Å; Y149-S198 WeakPolarHBondContact CE1-OG 3.43Å; Y149-S198 PolarHBondContact OH-OG 3.2Å; Y149-L199 HydrophobicContact CE2-CD2 3.74Å; Y149-L199 HydrophobicContact CE2-CG 4.07Å; Y149-L199 PolarHBondContact OH-N 3.05Å
150Y93.6Very high94.7Very high134 Ų13437.7 Ų37.753%0.52518%0.175SC..Hα-helixtrans-63.8-30.2-176.8-72.5-66.1000113.6T148 S153 K190T148-Y150 VanDerWaalsContact C-N 3.33Å; T148-Y150 PolarHBondContact O-N 2.71Å; Y150-S153 PolarHBondContact O-OG 2.76Å; Y150-S153 VanDerWaalsContact O-OG 3.12Å; Y150-K190 HydrophobicContact CD2-CG 4.49Å; Y150-K190 HydrophobicContact CE2-CD 4.14Å; Y150-K190 HydrophobicContact CE2-CG 4.01Å
151K94.8Very high94.5Very high193 Ų19338.2 Ų38.284%0.83918%0.177SC*.Hα-helixtrans-73-32.8175.2-62.7-177.4179-179.20112T148 Y149T148-K151 WeakPolarHBondContact O-CB 3.43Å; T148-K151 PolarHBondContact O-N 3.23Å; Y149-K151 VanDerWaalsContact C-N 3.26Å; Y149-K151 PolarHBondContact O-N 2.82Å
152E93.1Very high94.1Very high55 Ų5541.2 Ų41.226%0.25719%0.192SC..Hα-helixtrans-1069-175.3-65.9170.2-15800112.7T148 Y149 K154 E155 V156T148-E152 PolarHBondContact O-N 2.96Å; T148-E152 PolarHBondContact OG1-OE1 2.74Å; T148-E152 VanDerWaalsContact OG1-OE1 3.1Å; T148-E152 PolarHBondContact OG1-OE2 3.36Å; Y149-E152 CarbonylContact O-C 3.53Å; Y149-E152 PolarHBondContact O-N 2.87Å; Y149-E152 VanDerWaalsContact O-N 3.07Å; E152-K154 PolarHBondContact O-N 2.82Å; E152-K154 VanDerWaalsContact O-N 3.14Å; E152-E155 PolarHBondContact O-N 2.97Å; E152-E155 VanDerWaalsContact O-N 3.12Å; E152-V156 HydrophobicContact CB-CG2 4.11Å; E152-V156 WeakPolarHBondContact O-CB 3.5Å; E152-V156 VanDerWaalsContact O-CG2 3.31Å; E152-V156 WeakPolarHBondContact O-CG2 3.14Å; E152-V156 PolarHBondContact O-N 3.17Å
153S93.9Very high93.9Very high26 Ų2641.3 Ų41.318%0.18219%0.192CC..Hα-helixtrans-56.2-38.8-167.852.10000112.8Y149 Y150 S157Y149-S153 WeakPolarHBondContact O-CA 3.14Å; Y149-S153 WeakPolarHBondContact O-CB 3.48Å; Y149-S153 PolarHBondContact O-N 3.44Å; Y150-S153 PolarHBondContact O-OG 2.76Å; Y150-S153 VanDerWaalsContact O-OG 3.12Å; S153-S157 WeakPolarHBondContact O-CB 3.44Å; S153-S157 PolarHBondContact O-N 3.49Å; S153-S157 PolarHBondContact O-OG 3.18Å
154K93.6Very high93.6Very high141 Ų14141.2 Ų41.261%0.61319%0.192SC*.Hα-helixtrans-63.2-55.5176-174.5179.1174-175.90112.3E152 V156 S157 E158E152-K154 PolarHBondContact O-N 2.82Å; E152-K154 VanDerWaalsContact O-N 3.14Å; K154-V156 VanDerWaalsContact C-N 3.32Å; K154-V156 PolarHBondContact O-N 2.75Å; K154-S157 PolarHBondContact O-N 2.98Å; K154-E158 WeakPolarHBondContact CE-OE1 3.43Å; K154-E158 HydrophobicContact CG-CG 4.47Å; K154-E158 WeakPolarHBondContact CG-OE1 3.29Å; K154-E158 IonicContact NZ-OE1 3.03Å; K154-E158 WeakPolarHBondContact O-CB 3.44Å; K154-E158 WeakPolarHBondContact O-CG 3.44Å; K154-E158 PolarHBondContact O-N 2.99Å
155E93.2Very high93.2Very high80 Ų8041.9 Ų41.937%0.37420%0.196SC..Hα-helixtrans-63.1-40-178.5-166.5-167.5158.700111.5V75 R125 E152 L159V75-E155 HydrophobicContact CG1-CB 4.24Å; V75-E155 HydrophobicContact CG1-CG 3.86Å; R125-E155 IonicContact CZ-OE1 3.05Å; R125-E155 IonicContact NH1-OE1 2.96Å; R125-E155 IonicContact NH2-OE1 3.97Å; R125-E155 PolarHBondContact NH2-OE1 3.16Å; E152-E155 PolarHBondContact O-N 2.97Å; E152-E155 VanDerWaalsContact O-N 3.12Å; E155-L159 WeakPolarHBondContact O-CB 3.16Å; E155-L159 PolarHBondContact O-N 3.04Å
156V95.2Very high92.7Very high1 Ų143.8 Ų43.81%0.00621%0.206CC..Hα-helixtrans-61.6-47.1176.2173.30000110.9V75 F142 I144 Y149 E152 K154 L160 L199V75-V156 HydrophobicContact CB-CG2 4.47Å; V75-V156 HydrophobicContact CG1-CB 4.46Å; V75-V156 HydrophobicContact CG1-CG2 3.78Å; V75-V156 HydrophobicContact CG2-CG2 3.83Å; F142-V156 HydrophobicContact CE1-CG1 3.96Å; F142-V156 HydrophobicContact CZ-CG1 4.42Å; F142-V156 WeakPolarHBondContact CZ-O 3.27Å; I144-V156 HydrophobicContact CD1-CG1 3.9Å; I144-V156 HydrophobicContact CG1-CG1 4.01Å; I144-V156 HydrophobicContact CG2-CG1 4.37Å; Y149-V156 HydrophobicContact CD2-CG1 4.32Å; Y149-V156 HydrophobicContact CE2-CG1 4.1Å; E152-V156 HydrophobicContact CB-CG2 4.11Å; E152-V156 WeakPolarHBondContact O-CB 3.5Å; E152-V156 VanDerWaalsContact O-CG2 3.31Å; E152-V156 WeakPolarHBondContact O-CG2 3.14Å; E152-V156 PolarHBondContact O-N 3.17Å; K154-V156 VanDerWaalsContact C-N 3.32Å; K154-V156 PolarHBondContact O-N 2.75Å; V156-L160 WeakPolarHBondContact O-CB 3.48Å; V156-L160 PolarHBondContact O-N 3.41Å; V156-L199 HydrophobicContact CG1-CD2 4.2Å
157S94.7Very high92.4Very high1 Ų143.8 Ų43.81%0.00721%0.206CC..Hα-helixtrans-71.2-38.9-177.4-56.20000112.1S153 K154 L160 F161 E202 L203S153-S157 WeakPolarHBondContact O-CB 3.44Å; S153-S157 PolarHBondContact O-N 3.49Å; S153-S157 PolarHBondContact O-OG 3.18Å; K154-S157 PolarHBondContact O-N 2.98Å; S157-L160 PolarHBondContact O-N 2.89Å; S157-F161 VanDerWaalsContact O-CB 3.27Å; S157-F161 WeakPolarHBondContact O-CB 3.29Å; S157-F161 PolarHBondContact O-N 3.09Å; S157-E202 VanDerWaalsContact OG-CB 3.3Å; S157-E202 WeakPolarHBondContact OG-CB 3.36Å; S157-L203 WeakPolarHBondContact O-CD2 3.31Å
158E92.4Very high91.9Very high75 Ų7545.9 Ų45.935%0.3521%0.211SC..Hα-helixtrans-61.4-48174.8-76173.2174.400111.2K154 L160 F161 E162 L206K154-E158 WeakPolarHBondContact CE-OE1 3.43Å; K154-E158 HydrophobicContact CG-CG 4.47Å; K154-E158 WeakPolarHBondContact CG-OE1 3.29Å; K154-E158 IonicContact NZ-OE1 3.03Å; K154-E158 WeakPolarHBondContact O-CB 3.44Å; K154-E158 WeakPolarHBondContact O-CG 3.44Å; K154-E158 PolarHBondContact O-N 2.99Å; E158-L160 PolarHBondContact O-N 2.79Å; E158-F161 WeakPolarHBondContact O-CB 3.45Å; E158-F161 PolarHBondContact O-N 2.58Å; E158-E162 WeakPolarHBondContact O-CG 3.47Å; E158-E162 PolarHBondContact O-N 3.17Å; E158-L206 HydrophobicContact CG-CD1 4.1Å; E158-L206 HydrophobicContact CG-CD2 3.91Å
159L92.5Very high91.2Very high6 Ų646.3 Ų46.33%0.03122%0.216CC..Hα-helixtrans-63.2-43.8177-178.568.2000112R125 I129 F142 E155 F161 E162 V163R125-L159 HydrophobicContact CG-CD1 3.86Å; R125-L159 VanDerWaalsContact NH1-CD2 3.28Å; I129-L159 HydrophobicContact CD1-CD1 4.34Å; F142-L159 HydrophobicContact CE2-CB 4.25Å; F142-L159 HydrophobicContact CE2-CD2 3.57Å; F142-L159 HydrophobicContact CE2-CG 3.76Å; F142-L159 HydrophobicContact CZ-CB 4.21Å; F142-L159 HydrophobicContact CZ-CD2 3.81Å; F142-L159 HydrophobicContact CZ-CG 4.15Å; E155-L159 WeakPolarHBondContact O-CB 3.16Å; E155-L159 PolarHBondContact O-N 3.04Å; L159-F161 VanDerWaalsContact C-N 3.31Å; L159-F161 PolarHBondContact O-N 2.95Å; L159-E162 PolarHBondContact O-N 3Å; L159-V163 WeakPolarHBondContact O-CG2 3.44Å; L159-V163 PolarHBondContact O-N 3.44Å
160L94.3Very high90.6Very high1 Ų149.2 Ų49.21%0.00523%0.231CC..Hα-helixtrans-62.5-41.9178.8-179.459000111F142 V156 S157 E158 V163 L164 I179 L199 L203 F241F142-L160 HydrophobicContact CB-CD1 4.42Å; F142-L160 HydrophobicContact CD1-CD1 4.2Å; F142-L160 HydrophobicContact CD2-CD1 3.87Å; F142-L160 HydrophobicContact CE1-CB 4.11Å; F142-L160 HydrophobicContact CE1-CD1 4.44Å; F142-L160 HydrophobicContact CE2-CB 3.9Å; F142-L160 HydrophobicContact CE2-CD1 4.11Å; F142-L160 HydrophobicContact CG-CD1 3.91Å; F142-L160 HydrophobicContact CZ-CB 3.68Å; F142-L160 HydrophobicContact CZ-CD1 4.41Å; V156-L160 WeakPolarHBondContact O-CB 3.48Å; V156-L160 PolarHBondContact O-N 3.41Å; S157-L160 PolarHBondContact O-N 2.89Å; E158-L160 PolarHBondContact O-N 2.79Å; L160-V163 PolarHBondContact O-N 2.91Å; L160-L164 HydrophobicContact CD1-CD1 4.1Å; L160-L164 HydrophobicContact CD1-CG 4.12Å; L160-L164 HydrophobicContact CG-CD1 4Å; L160-L164 HydrophobicContact CG-CG 4.44Å; L160-L164 WeakPolarHBondContact O-CB 3.36Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.48Å; L160-L164 PolarHBondContact O-N 2.84Å; L160-I179 HydrophobicContact CD1-CD1 4.39Å; L160-I179 HydrophobicContact CD2-CD1 3.93Å; L160-L199 HydrophobicContact CD2-CD1 4.37Å; L160-L199 HydrophobicContact CD2-CD2 4.1Å; L160-L203 HydrophobicContact CD2-CD1 4.01Å; L160-L203 HydrophobicContact CG-CD1 4.44Å; L160-F241 HydrophobicContact CD2-CE1 4.22Å; L160-F241 HydrophobicContact CD2-CZ 4.07Å
161F92Very high89.8Confident11 Ų1151 Ų515%0.04824%0.242CC..Hα-helixtrans-58.3-49.1175.2-174.1-90.7000111.3S157 E158 L159 V163 L164 C165 L203 L206 N207 Q210 L231S157-F161 VanDerWaalsContact O-CB 3.27Å; S157-F161 WeakPolarHBondContact O-CB 3.29Å; S157-F161 PolarHBondContact O-N 3.09Å; E158-F161 WeakPolarHBondContact O-CB 3.45Å; E158-F161 PolarHBondContact O-N 2.58Å; L159-F161 VanDerWaalsContact C-N 3.31Å; L159-F161 PolarHBondContact O-N 2.95Å; F161-V163 PolarHBondContact O-N 3.23Å; F161-L164 PolarHBondContact O-N 3.14Å; F161-C165 VanDerWaalsContact CE1-SG 3.54Å; F161-C165 WeakPolarHBondContact O-CB 3.27Å; F161-C165 PolarHBondContact O-N 2.78Å; F161-C165 PolarHBondContact O-SG 3.32Å; F161-L203 HydrophobicContact CB-CD2 3.63Å; F161-L203 HydrophobicContact CD2-CD2 3.97Å; F161-L203 HydrophobicContact CG-CD2 4.31Å; F161-L206 HydrophobicContact CB-CD1 4.03Å; F161-L206 HydrophobicContact CD2-CB 4Å; F161-L206 HydrophobicContact CE2-CB 4.33Å; F161-L206 HydrophobicContact CG-CB 4.3Å; F161-L206 HydrophobicContact CG-CD1 4.44Å; F161-N207 HydrophobicContact CE2-CB 4.04Å; F161-Q210 HydrophobicContact CE1-CG 3.77Å; F161-Q210 HydrophobicContact CZ-CB 4.35Å; F161-Q210 HydrophobicContact CZ-CG 3.87Å; F161-L231 HydrophobicContact CD2-CD1 4.13Å; F161-L231 HydrophobicContact CE2-CB 3.82Å; F161-L231 HydrophobicContact CE2-CD1 4.2Å; F161-L231 HydrophobicContact CE2-CG 4.46Å; F161-L231 HydrophobicContact CZ-CB 4.29Å
162E88.9Confident88.8Confident67 Ų6742.8 Ų42.831%0.31321%0.21SC..Hα-helixtrans-57.7-47.8176.9-73.2-179.2177.900111.8K126 E158 L159 L164 C165 L166K126-E162 WeakPolarHBondContact CE-OE1 3.4Å; K126-E162 WeakPolarHBondContact CE-OE2 3.47Å; K126-E162 IonicContact NZ-OE1 3.78Å; K126-E162 PolarHBondContact NZ-OE1 2.8Å; K126-E162 IonicContact NZ-OE2 2.91Å; E158-E162 WeakPolarHBondContact O-CG 3.47Å; E158-E162 PolarHBondContact O-N 3.17Å; L159-E162 PolarHBondContact O-N 3Å; E162-L164 PolarHBondContact O-N 3.06Å; E162-C165 PolarHBondContact O-N 2.87Å; E162-L166 WeakPolarHBondContact O-CB 3.48Å; E162-L166 VanDerWaalsContact O-CG 3.3Å; E162-L166 WeakPolarHBondContact O-CG 3.31Å; E162-L166 PolarHBondContact O-N 3.49Å
163V90.7Very high87.6Confident2 Ų247.7 Ų47.71%0.01223%0.23CC..Hα-helixtrans-60.5-46.1179.6169.40000111.6I129 V140 L159 L160 F161 L166 L167I129-V163 HydrophobicContact CD1-CG2 4.14Å; I129-V163 HydrophobicContact CG2-CG2 4.45Å; V140-V163 HydrophobicContact CG1-CG1 4.09Å; L159-V163 WeakPolarHBondContact O-CG2 3.44Å; L159-V163 PolarHBondContact O-N 3.44Å; L160-V163 PolarHBondContact O-N 2.91Å; F161-V163 PolarHBondContact O-N 3.23Å; V163-L166 PolarHBondContact O-N 2.9Å; V163-L167 HydrophobicContact CG1-CD1 4.07Å; V163-L167 WeakPolarHBondContact O-CG 3.48Å; V163-L167 PolarHBondContact O-N 3.32Å
164L90.9Very high87Confident1 Ų151.3 Ų51.31%0.00526%0.255CS..Hα-helixtrans-67.7-39.8-179.7-69.4173.9000112L160 F161 E162 L167 K168 V177 L203 L231 F241 L244 V248L160-L164 HydrophobicContact CD1-CD1 4.1Å; L160-L164 HydrophobicContact CD1-CG 4.12Å; L160-L164 HydrophobicContact CG-CD1 4Å; L160-L164 HydrophobicContact CG-CG 4.44Å; L160-L164 WeakPolarHBondContact O-CB 3.36Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.48Å; L160-L164 PolarHBondContact O-N 2.84Å; F161-L164 PolarHBondContact O-N 3.14Å; E162-L164 PolarHBondContact O-N 3.06Å; L164-L167 PolarHBondContact O-N 2.89Å; L164-K168 WeakPolarHBondContact O-CB 3.29Å; L164-K168 PolarHBondContact O-N 3Å; L164-V177 HydrophobicContact CD2-CG2 4.2Å; L164-L203 HydrophobicContact CD1-CD1 4.44Å; L164-L231 HydrophobicContact CB-CD1 3.4Å; L164-L231 HydrophobicContact CD1-CD1 4.21Å; L164-L231 HydrophobicContact CG-CD1 4.46Å; L164-F241 HydrophobicContact CD1-CE1 4.2Å; L164-L244 HydrophobicContact CD1-CD1 4.2Å; L164-L244 HydrophobicContact CD2-CD1 4.37Å; L164-V248 HydrophobicContact CD2-CG2 4.48Å
165C87.1Confident86.8Confident13 Ų1344.7 Ų44.79%0.08823%0.227CC..Hα-helixtrans-61.8-42.4173.2-77.70000111.7F161 E162 K168 S169F161-C165 VanDerWaalsContact CE1-SG 3.54Å; F161-C165 WeakPolarHBondContact O-CB 3.27Å; F161-C165 PolarHBondContact O-N 2.78Å; F161-C165 PolarHBondContact O-SG 3.32Å; E162-C165 PolarHBondContact O-N 2.87Å; C165-K168 PolarHBondContact O-N 2.64Å; C165-S169 VanDerWaalsContact O-CB 3.29Å; C165-S169 WeakPolarHBondContact O-CB 3.28Å; C165-S169 PolarHBondContact O-N 3.2Å
166L86.5Confident86.9Confident46 Ų4644 Ų4424%0.24122%0.223CC..Hα-helixtrans-63.3-44.6175.7-73.7173.9000112.1I129 L130 L133 E162 V163 K168 S169 L170I129-L166 HydrophobicContact CG2-CD1 3.94Å; L130-L166 HydrophobicContact CD1-CD2 3.84Å; L133-L166 HydrophobicContact CD1-CB 3.71Å; L133-L166 HydrophobicContact CD1-CD1 4.21Å; E162-L166 WeakPolarHBondContact O-CB 3.48Å; E162-L166 VanDerWaalsContact O-CG 3.3Å; E162-L166 WeakPolarHBondContact O-CG 3.31Å; E162-L166 PolarHBondContact O-N 3.49Å; V163-L166 PolarHBondContact O-N 2.9Å; L166-K168 VanDerWaalsContact C-N 3.32Å; L166-K168 PolarHBondContact O-N 2.89Å; L166-S169 PolarHBondContact O-N 2.96Å; L166-L170 WeakPolarHBondContact O-CB 3.43Å; L166-L170 VanDerWaalsContact O-CG 3.31Å; L166-L170 WeakPolarHBondContact O-CG 3.34Å; L166-L170 PolarHBondContact O-N 2.92Å
167L87.6Confident86.9Confident1 Ų144 Ų441%0.00522%0.223CC..Hα-helixtrans-60.3-41.7176.2-75169.5000112L133 V140 V163 L164 A172 A175 V177 I246L133-L167 HydrophobicContact CD2-CD2 3.59Å; L133-L167 HydrophobicContact CD2-CG 4.34Å; V140-L167 HydrophobicContact CG2-CD1 4.15Å; V140-L167 HydrophobicContact CG2-CD2 4.19Å; V163-L167 HydrophobicContact CG1-CD1 4.07Å; V163-L167 WeakPolarHBondContact O-CG 3.48Å; V163-L167 PolarHBondContact O-N 3.32Å; L164-L167 PolarHBondContact O-N 2.89Å; L167-A172 HydrophobicContact CD2-CB 4.08Å; L167-A172 PolarHBondContact O-N 2.97Å; L167-A175 HydrophobicContact CD2-CB 3.93Å; L167-V177 HydrophobicContact CD1-CG2 3.45Å; L167-V177 VanDerWaalsContact CD1-CG2 3.45Å; L167-I246 HydrophobicContact CB-CD1 3.66Å
168K84.5Confident87Confident72 Ų7243.9 Ų43.931%0.31322%0.222SC..Hα-helixtrans-63.5-50.2175-176.3-178176-176.90111.3L164 C165 L166 L170 K171 R230 L231L164-K168 WeakPolarHBondContact O-CB 3.29Å; L164-K168 PolarHBondContact O-N 3Å; C165-K168 PolarHBondContact O-N 2.64Å; L166-K168 VanDerWaalsContact C-N 3.32Å; L166-K168 PolarHBondContact O-N 2.89Å; K168-L170 VanDerWaalsContact C-N 3.34Å; K168-L170 PolarHBondContact O-N 2.75Å; K168-K171 PolarHBondContact O-N 3.27Å; K168-K171 VanDerWaalsContact O-N 3.08Å; K168-R230 WeakPolarHBondContact CD-O 3.2Å; K168-R230 PolarHBondContact NZ-O 3.32Å; K168-L231 PolarHBondContact NZ-O 2.72Å
169S81.9Confident87.2Confident45 Ų4540.3 Ų40.332%0.31521%0.206SC..Hα-helixtrans-59.6-42-178.51800000112.5C165 L166 K171C165-S169 VanDerWaalsContact O-CB 3.29Å; C165-S169 WeakPolarHBondContact O-CB 3.28Å; C165-S169 PolarHBondContact O-N 3.2Å; L166-S169 PolarHBondContact O-N 2.96Å; S169-K171 PolarHBondContact O-N 3.38Å; S169-K171 VanDerWaalsContact O-N 3.16Å
170L81Confident87.4Confident62 Ų6240.1 Ų40.133%0.32520%0.204SC..THydrogen-bonded Turntrans-76.53.6179.2-66.2171.1000113.7L133 K134 L166 K168 A172L133-L170 HydrophobicContact CB-CD1 3.42Å; L133-L170 VanDerWaalsContact CB-CD1 3.42Å; L133-L170 HydrophobicContact CD1-CD1 4.45Å; K134-L170 HydrophobicContact CG-CD2 4.14Å; L166-L170 WeakPolarHBondContact O-CB 3.43Å; L166-L170 VanDerWaalsContact O-CG 3.31Å; L166-L170 WeakPolarHBondContact O-CG 3.34Å; L166-L170 PolarHBondContact O-N 2.92Å; K168-L170 VanDerWaalsContact C-N 3.34Å; K168-L170 PolarHBondContact O-N 2.75Å; L170-A172 PolarHBondContact O-N 3.33Å; L170-A172 VanDerWaalsContact O-N 3.14Å
171K76.9Confident87.5Confident172 Ų17240 Ų4075%0.74820%0.204SC*.THydrogen-bonded Turntrans50.336.5-176.1-60.4179.5-179.9175.70112K168 S169 K173K168-K171 PolarHBondContact O-N 3.27Å; K168-K171 VanDerWaalsContact O-N 3.08Å; S169-K171 PolarHBondContact O-N 3.38Å; S169-K171 VanDerWaalsContact O-N 3.16Å; K171-K173 PolarHBondContact O-N 3.41Å
172A74.1Confident87.6Confident20 Ų2039.7 Ų39.717%0.16520%0.203CC..  trans-75.255.5179.200000110.8L167 L170 S174 A175L167-A172 HydrophobicContact CD2-CB 4.08Å; L167-A172 PolarHBondContact O-N 2.97Å; L170-A172 PolarHBondContact O-N 3.33Å; L170-A172 VanDerWaalsContact O-N 3.14Å; A172-S174 PolarHBondContact O-N 3.44Å; A172-S174 VanDerWaalsContact O-N 3.09Å; A172-A175 HydrophobicContact CB-CB 3.94Å; A172-A175 VanDerWaalsContact O-CB 3.29Å; A172-A175 WeakPolarHBondContact O-CB 3.1Å; A172-A175 PolarHBondContact O-N 2.87Å
173K68.6Low87.8Confident159 Ų15938.8 Ų38.869%0.69120%0.198SC*.THydrogen-bonded Turntrans-59.7-24.3-172.7-68.9-173.7175.6-173.70113.5K171K171-K173 PolarHBondContact O-N 3.41Å
174S81.3Confident87.9Confident101 Ų10141.2 Ų41.271%0.70621%0.209SC*.THydrogen-bonded Turntrans-87.7-10.2176.958.30000113.6A172 K176A172-S174 PolarHBondContact O-N 3.44Å; A172-S174 VanDerWaalsContact O-N 3.09Å; S174-K176 PolarHBondContact O-N 2.95Å
175A89.3Confident87.8Confident2 Ų244.8 Ų44.82%0.01723%0.228CC..  trans-73.9129.1-178.500000110.2S138 L167 A172S138-A175 WeakPolarHBondContact O-CA 3.32Å; L167-A175 HydrophobicContact CD2-CB 3.93Å; A172-A175 HydrophobicContact CB-CB 3.94Å; A172-A175 VanDerWaalsContact O-CB 3.29Å; A172-A175 WeakPolarHBondContact O-CB 3.1Å; A172-A175 PolarHBondContact O-N 2.87Å
176K93.8Very high88Confident66 Ų6647.5 Ų47.529%0.28724%0.241SC..EExtended strand (participates in β ladder)trans-97.1146.9172-59-178180175.60109.9S138 G139 V140 S174 H247 W274 A277 V278S138-K176 PolarHBondContact O-N 3.36Å; S138-K176 VanDerWaalsContact O-N 3.17Å; G139-K176 CarbonylContact C-O 3.58Å; G139-K176 WeakPolarHBondContact CA-O 3.13Å; V140-K176 PolarHBondContact N-O 3.04Å; S174-K176 PolarHBondContact O-N 2.95Å; K176-H247 HydrophobicContact CG-CB 4.36Å; K176-W274 HydrophobicContact CB-CH2 4.16Å; K176-W274 HydrophobicContact CB-CZ2 3.44Å; K176-W274 VanDerWaalsContact CB-CZ2 3.44Å; K176-W274 WeakPolarHBondContact O-CH2 3.37Å; K176-A277 PolarHBondContact NZ-O 3.42Å; K176-V278 HydrophobicContact CB-CG2 4.4Å; K176-V278 HydrophobicContact CD-CG2 4.28Å
177V95.6Very high88.2Confident0 Ų054.4 Ų54.40%028%0.278CS..EExtended strand (participates in β ladder)trans-114.8133.1175-178.50000109.3V140 L164 L167 I246 H247 V248 D249V140-V177 HydrophobicContact CB-CG2 4.44Å; V140-V177 CarbonylContact O-C 3.37Å; V140-V177 VanDerWaalsContact O-CA 3.27Å; V140-V177 WeakPolarHBondContact O-CA 3.49Å; L164-V177 HydrophobicContact CD2-CG2 4.2Å; L167-V177 HydrophobicContact CD1-CG2 3.45Å; L167-V177 VanDerWaalsContact CD1-CG2 3.45Å; V177-I246 HydrophobicContact CG2-CG2 3.72Å; V177-H247 PolarHBondContact N-O 3.44Å; V177-V248 HydrophobicContact CB-CG1 4.36Å; V177-V248 HydrophobicContact CB-CG2 4.21Å; V177-V248 HydrophobicContact CG1-CG1 4.31Å; V177-V248 CarbonylContact O-C 3.4Å; V177-V248 WeakPolarHBondContact O-CA 3.46Å; V177-D249 PolarHBondContact O-N 2.97Å
178L97Very high88.5Confident0 Ų057.4 Ų57.40%030%0.299CS..EExtended strand (participates in β ladder)trans-116118171.7177.563.4000109.2V140 I141 F142 A180 D249 C251 F270 V271 W274V140-L178 PolarHBondContact O-N 2.86Å; I141-L178 CarbonylContact C-O 3.57Å; I141-L178 WeakPolarHBondContact CA-O 3.35Å; I141-L178 HydrophobicContact CG1-CB 4.27Å; I141-L178 HydrophobicContact CG1-CD2 4.3Å; I141-L178 HydrophobicContact CG2-CD2 4.39Å; F142-L178 PolarHBondContact N-O 3.47Å; L178-A180 PolarHBondContact O-N 2.96Å; L178-D249 CarbonylContact C-O 3.59Å; L178-D249 WeakPolarHBondContact CA-O 3.04Å; L178-D249 HydrophobicContact CD1-CB 3.77Å; L178-C251 HydrophobicContact CD1-CB 4.11Å; L178-F270 HydrophobicContact CD1-CD1 4.32Å; L178-F270 HydrophobicContact CD1-CE1 3.75Å; L178-V271 HydrophobicContact CD2-CG1 4.4Å; L178-V271 HydrophobicContact CD2-CG2 4.27Å; L178-W274 HydrophobicContact CB-CD2 3.8Å; L178-W274 HydrophobicContact CB-CE3 4.06Å; L178-W274 HydrophobicContact CB-CG 4.37Å; L178-W274 HydrophobicContact CB-CH2 3.94Å; L178-W274 HydrophobicContact CB-CZ2 3.66Å; L178-W274 HydrophobicContact CB-CZ3 4.13Å; L178-W274 HydrophobicContact CD1-CG 4.35Å; L178-W274 HydrophobicContact CD2-CB 4.12Å; L178-W274 HydrophobicContact CD2-CD2 3.88Å; L178-W274 HydrophobicContact CD2-CE3 4Å; L178-W274 HydrophobicContact CD2-CG 3.92Å; L178-W274 HydrophobicContact CG-CD2 4.32Å; L178-W274 HydrophobicContact CG-CG 4.46Å
179I97.1Very high88.9Confident0 Ų054.9 Ų54.90%029%0.291CS..EExtended strand (participates in β ladder)trans-87.6104.9169.3-65.1168000107.7F142 I144 L160 L199 F241 V248 D249 F250 C251F142-I179 HydrophobicContact CB-CG1 4.43Å; F142-I179 WeakPolarHBondContact O-CA 3.41Å; I144-I179 HydrophobicContact CD1-CG2 3.56Å; I144-I179 HydrophobicContact CG1-CG2 4.32Å; L160-I179 HydrophobicContact CD1-CD1 4.39Å; L160-I179 HydrophobicContact CD2-CD1 3.93Å; I179-L199 HydrophobicContact CG2-CD1 4.33Å; I179-F241 HydrophobicContact CD1-CE1 3.81Å; I179-F241 HydrophobicContact CD1-CZ 3.88Å; I179-V248 HydrophobicContact CD1-CG1 3.69Å; I179-V248 HydrophobicContact CG1-CG1 4.16Å; I179-D249 PolarHBondContact N-O 2.94Å; I179-F250 HydrophobicContact CB-CD1 3.75Å; I179-F250 HydrophobicContact CB-CE1 3.74Å; I179-F250 HydrophobicContact CB-CG 4.21Å; I179-F250 HydrophobicContact CB-CZ 4.18Å; I179-F250 HydrophobicContact CD1-CD1 4.39Å; I179-F250 HydrophobicContact CD1-CE1 3.6Å; I179-F250 HydrophobicContact CD1-CE2 3.76Å; I179-F250 HydrophobicContact CD1-CZ 3.23Å; I179-F250 HydrophobicContact CG1-CE1 4.26Å; I179-F250 HydrophobicContact CG1-CZ 4.25Å; I179-F250 HydrophobicContact CG2-CD1 3.72Å; I179-F250 HydrophobicContact CG2-CE1 3.57Å; I179-F250 HydrophobicContact CG2-CZ 4.38Å; I179-F250 WeakPolarHBondContact O-CA 3.35Å; I179-C251 PolarHBondContact O-N 3.4Å
180A96.4Very high89.5Confident1 Ų156.7 Ų56.71%0.00829%0.294CS..EExtended strand (participates in β ladder)trans-96.8100.9-177.800000110I141 F142 M143 I144 L178 N182I141-A180 HydrophobicContact CG2-CB 3.92Å; F142-A180 PolarHBondContact O-N 2.99Å; M143-A180 WeakPolarHBondContact CA-O 3.45Å; M143-A180 HydrophobicContact CG-CB 4.35Å; I144-A180 PolarHBondContact N-O 2.71Å; L178-A180 PolarHBondContact O-N 2.96Å; A180-N182 PolarHBondContact O-N 2.86Å
181C95.6Very high90.1Very high0 Ų056.5 Ų56.50%030%0.295CS..EExtended strand (participates in β ladder)trans-75.690.2176.3-60.10000109S146 Q184 L195 C251 C253S146-C181 VanDerWaalsContact OG-CA 3.29Å; S146-C181 WeakPolarHBondContact OG-CA 3.21Å; S146-C181 VanDerWaalsContact OG-CB 3.31Å; S146-C181 WeakPolarHBondContact OG-CB 3.36Å; S146-C181 PolarHBondContact OG-O 3.37Å; C181-Q184 WeakPolarHBondContact O-CG 3.32Å; C181-Q184 PolarHBondContact O-NE2 2.72Å; C181-L195 HydrophobicContact CB-CD1 4.2Å; C181-C251 WeakPolarHBondContact CB-O 3.23Å; C181-C251 PolarHBondContact N-O 2.89Å; C181-C253 PolarHBondContact O-N 3.29Å
182N95Very high90.9Very high4 Ų449.2 Ų49.22%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-84.4170.3-173.3-167.724.8000112.5S78 M143 I144 S146 A180 C253 S254 S255S78-N182 PolarHBondContact O-ND2 3.23Å; M143-N182 HydrophobicContact CE-CB 3.58Å; M143-N182 VanDerWaalsContact CE-CG 3.44Å; M143-N182 WeakPolarHBondContact CE-ND2 3.4Å; I144-N182 WeakPolarHBondContact O-CA 3.47Å; I144-N182 WeakPolarHBondContact O-CB 3.48Å; I144-N182 PolarHBondContact O-N 2.82Å; S146-N182 WeakPolarHBondContact CB-O 3.21Å; S146-N182 PolarHBondContact N-O 3.36Å; S146-N182 PolarHBondContact OG-N 3.47Å; S146-N182 PolarHBondContact OG-O 3.3Å; A180-N182 PolarHBondContact O-N 2.86Å; N182-C253 CarbonylContact C-O 3.59Å; N182-C253 VanDerWaalsContact CA-O 3.26Å; N182-C253 WeakPolarHBondContact CA-O 3.44Å; N182-C253 PolarHBondContact OD1-O 3.24Å; N182-S254 WeakPolarHBondContact OD1-CA 3.39Å; N182-S255 PolarHBondContact ND2-OG 2.91Å; N182-S255 VanDerWaalsContact ND2-OG 3.17Å; N182-S255 PolarHBondContact OD1-N 3.32Å; N182-S255 PolarHBondContact OD1-OG 2.68Å; N182-S255 VanDerWaalsContact OD1-OG 3.14Å
183K93.5Very high91.9Very high47 Ų4752.5 Ų52.520%0.20429%0.287CS..  trans66.231.9179-46.1-166.2-166174.80113.8S77 D145 D185 L186 A189 C253S77-K183 WeakPolarHBondContact O-CE 3.48Å; S77-K183 PolarHBondContact O-NZ 2.87Å; D145-K183 WeakPolarHBondContact OD1-CD 3.44Å; D145-K183 WeakPolarHBondContact OD2-CD 3.15Å; D145-K183 WeakPolarHBondContact OD2-CE 3.21Å; D145-K183 IonicContact OD2-NZ 2.87Å; D145-K183 PolarHBondContact OD2-NZ 2.95Å; K183-D185 VanDerWaalsContact C-OD1 3.28Å; K183-D185 VanDerWaalsContact CA-OD1 3.26Å; K183-D185 WeakPolarHBondContact CA-OD1 3.26Å; K183-D185 PolarHBondContact O-N 3.05Å; K183-D185 VanDerWaalsContact O-N 3.09Å; K183-L186 HydrophobicContact CB-CD1 3.95Å; K183-L186 HydrophobicContact CB-CG 4.3Å; K183-L186 HydrophobicContact CD-CD1 4.14Å; K183-L186 WeakPolarHBondContact O-CB 3.27Å; K183-L186 PolarHBondContact O-N 3.26Å; K183-A189 WeakPolarHBondContact O-CB 3.39Å; K183-C253 PolarHBondContact N-O 2.88Å; K183-C253 VanDerWaalsContact N-O 3.16Å
184Q91.9Very high93.1Very high53 Ų5346.8 Ų46.825%0.24827%0.268CS..THydrogen-bonded Turntrans-64.3-7.2175.4-62.9-65.4-31.300113.8S146 C181 K190 D252 C253S146-Q184 VanDerWaalsContact CB-NE2 3.33Å; S146-Q184 PolarHBondContact OG-NE2 2.94Å; C181-Q184 WeakPolarHBondContact O-CG 3.32Å; C181-Q184 PolarHBondContact O-NE2 2.72Å; Q184-K190 PolarHBondContact NE2-O 2.97Å; Q184-D252 HydrophobicContact CG-CB 3.96Å; Q184-D252 PolarHBondContact NE2-OD1 3.14Å; Q184-C253 WeakPolarHBondContact CB-O 3.42Å; Q184-C253 VanDerWaalsContact CG-O 3.24Å; Q184-C253 WeakPolarHBondContact CG-O 3.3Å; Q184-C253 PolarHBondContact N-O 3.06Å; Q184-C253 VanDerWaalsContact N-O 3.17Å
185D89.6Confident93.8Very high76 Ų7642 Ų4241%0.40623%0.234SC..THydrogen-bonded Turntrans-70.5-17.616954.2-66.4000113.3K183 S254K183-D185 VanDerWaalsContact C-OD1 3.28Å; K183-D185 VanDerWaalsContact CA-OD1 3.26Å; K183-D185 WeakPolarHBondContact CA-OD1 3.26Å; K183-D185 PolarHBondContact O-N 3.05Å; K183-D185 VanDerWaalsContact O-N 3.09Å; D185-S254 VanDerWaalsContact CG-OG 3.24Å; D185-S254 WeakPolarHBondContact OD1-CB 3.21Å; D185-S254 PolarHBondContact OD1-OG 2.96Å
186L91.1Very high94.1Very high70 Ų7044.5 Ų44.537%0.36624%0.244SC..SBendtrans-88.6136.3179.7-58.5178.6000111.3S147 K183 S188 A189S147-L186 WeakPolarHBondContact OG-CD1 3.42Å; K183-L186 HydrophobicContact CB-CD1 3.95Å; K183-L186 HydrophobicContact CB-CG 4.3Å; K183-L186 HydrophobicContact CD-CD1 4.14Å; K183-L186 WeakPolarHBondContact O-CB 3.27Å; K183-L186 PolarHBondContact O-N 3.26Å; L186-S188 PolarHBondContact O-N 3.06Å; L186-S188 VanDerWaalsContact O-N 3.13Å; L186-A189 WeakPolarHBondContact O-CB 3.37Å; L186-A189 PolarHBondContact O-N 2.85Å
187L90.8Very high94.2Very high192 Ų19244.7 Ų44.7100%1.00525%0.253SS*.THydrogen-bonded Turntrans-59.6-26.5178.1-66174.9000113.7A189L187-A189 VanDerWaalsContact C-N 3.3Å
188S92.9Very high94.2Very high64 Ų6445.9 Ų45.945%0.44826%0.261SS..THydrogen-bonded Turntrans-82.1-5.9177.448.90000113.7S147 L186S147-S188 WeakPolarHBondContact CB-OG 3.21Å; L186-S188 PolarHBondContact O-N 3.06Å; L186-S188 VanDerWaalsContact O-N 3.13Å
189A93.1Very high94.1Very high19 Ų1945.9 Ų45.916%0.15726%0.261CS..PPolyproline II helixtrans-65136.9-176.900000112.5K183 L186 L187K183-A189 WeakPolarHBondContact O-CB 3.39Å; L186-A189 WeakPolarHBondContact O-CB 3.37Å; L186-A189 PolarHBondContact O-N 2.85Å; L187-A189 VanDerWaalsContact C-N 3.3Å
190K94.7Very high94Very high83 Ų8347.5 Ų47.536%0.36127%0.268SS..PPolyproline II helixtrans-95.3138175.1-56.7-56.4171.2-174.80110.1S146 Y150 Q184 L195S146-K190 VanDerWaalsContact CB-O 3.27Å; S146-K190 WeakPolarHBondContact CB-O 3.28Å; S146-K190 WeakPolarHBondContact O-CG 3.22Å; S146-K190 PolarHBondContact O-N 3.25Å; Y150-K190 HydrophobicContact CD2-CG 4.49Å; Y150-K190 HydrophobicContact CE2-CD 4.14Å; Y150-K190 HydrophobicContact CE2-CG 4.01Å; Q184-K190 PolarHBondContact NE2-O 2.97Å; K190-L195 HydrophobicContact CB-CD1 4.19Å; K190-L195 HydrophobicContact CB-CD2 3.69Å; K190-L195 HydrophobicContact CB-CG 3.84Å; K190-L195 HydrophobicContact CG-CD2 4.31Å
191T93.8Very high93.9Very high58 Ų5854.4 Ų54.436%0.35630%0.298SS..PPolyproline II helixtrans-74.3154.1177.962.40000110.5S193 S194 L195 D252T191-S193 PolarHBondContact O-N 2.58Å; T191-S193 PolarHBondContact OG1-OG 3.13Å; T191-S194 PolarHBondContact N-OG 3.11Å; T191-S194 PolarHBondContact O-N 3.03Å; T191-S194 PolarHBondContact O-OG 3.29Å; T191-L195 PolarHBondContact O-N 3.39Å; T191-D252 WeakPolarHBondContact CA-OD1 3.29Å
192S94.3Very high93.8Very high18 Ų1857.2 Ų57.213%0.12631%0.311CS..Hα-helixtrans-51.3-38.8174.5610000112.6S194 L195 K196 D252S192-S194 VanDerWaalsContact C-N 3.29Å; S192-S194 PolarHBondContact O-N 2.91Å; S192-L195 PolarHBondContact O-N 2.79Å; S192-K196 PolarHBondContact O-N 2.96Å; S192-D252 WeakPolarHBondContact CB-OD1 3.42Å; S192-D252 PolarHBondContact N-OD1 3.05Å; S192-D252 PolarHBondContact N-OD2 2.75Å; S192-D252 VanDerWaalsContact OG-CG 3.31Å; S192-D252 PolarHBondContact OG-OD1 2.82Å; S192-D252 PolarHBondContact OG-OD2 3.07Å
193S94Very high93.8Very high89 Ų8957 Ų5762%0.62231%0.31SS*.Hα-helixtrans-60.7-32.6175.266.10000114.1T191 P197T191-S193 PolarHBondContact O-N 2.58Å; T191-S193 PolarHBondContact OG1-OG 3.13Å; S193-P197 WeakPolarHBondContact O-CD 3.29Å
194S94.4Very high93.7Very high40 Ų4055.7 Ų55.728%0.2831%0.307SS..Hα-helixtrans-84.7-30.7175.870.70000112.7T191 S192 P197T191-S194 PolarHBondContact N-OG 3.11Å; T191-S194 PolarHBondContact O-N 3.03Å; T191-S194 PolarHBondContact O-OG 3.29Å; S192-S194 VanDerWaalsContact C-N 3.29Å; S192-S194 PolarHBondContact O-N 2.91Å; S194-P197 WeakPolarHBondContact O-CG 3.42Å
195L95.5Very high93.7Very high0 Ų056.8 Ų56.80%032%0.317CS..Hα-helixtrans-79.4-34.8-178.3-67.1-174.6000112.9I144 Y149 C181 K190 T191 S192 S198 L199I144-L195 HydrophobicContact CG2-CD1 4.42Å; Y149-L195 HydrophobicContact CD1-CD2 3.18Å; Y149-L195 HydrophobicContact CD2-CD2 4.12Å; Y149-L195 HydrophobicContact CE1-CD2 3.61Å; Y149-L195 HydrophobicContact CE2-CD2 4.48Å; Y149-L195 HydrophobicContact CG-CD1 4.47Å; Y149-L195 HydrophobicContact CG-CD2 3.45Å; Y149-L195 VanDerWaalsContact CG-CD2 3.45Å; C181-L195 HydrophobicContact CB-CD1 4.2Å; K190-L195 HydrophobicContact CB-CD1 4.19Å; K190-L195 HydrophobicContact CB-CD2 3.69Å; K190-L195 HydrophobicContact CB-CG 3.84Å; K190-L195 HydrophobicContact CG-CD2 4.31Å; T191-L195 PolarHBondContact O-N 3.39Å; S192-L195 PolarHBondContact O-N 2.79Å; L195-S198 PolarHBondContact O-N 2.9Å; L195-L199 WeakPolarHBondContact O-CB 3.46Å; L195-L199 WeakPolarHBondContact O-CG 3.47Å; L195-L199 PolarHBondContact O-N 3.01Å
196K96.2Very high93.7Very high54 Ų5454.6 Ų54.624%0.23531%0.305CS..Hα-helixtrans-50.6-58.2176.7-179.2177.4-178.5-179.80112.4S192 S198 L199 E200 F241 D242 F250S192-K196 PolarHBondContact O-N 2.96Å; K196-S198 VanDerWaalsContact C-N 3.28Å; K196-S198 PolarHBondContact O-N 3.13Å; K196-L199 PolarHBondContact O-N 2.91Å; K196-E200 WeakPolarHBondContact O-CG 3.27Å; K196-E200 PolarHBondContact O-N 3.2Å; K196-F241 HydrophobicContact CG-CD2 4.04Å; K196-F241 HydrophobicContact CG-CE2 4.36Å; K196-D242 IonicContact NZ-OD1 3.64Å; K196-D242 PolarHBondContact NZ-OD1 3.26Å; K196-D242 IonicContact NZ-OD2 2.82Å; K196-F250 HydrophobicContact CB-CD1 4.19Å; K196-F250 HydrophobicContact CB-CE1 3.86Å; K196-F250 HydrophobicContact CB-CE2 4.29Å; K196-F250 HydrophobicContact CB-CZ 3.9Å; K196-F250 HydrophobicContact CD-CD2 4.18Å; K196-F250 HydrophobicContact CD-CE2 4Å; K196-F250 HydrophobicContact CD-CZ 4.44Å; K196-F250 HydrophobicContact CG-CD2 4.38Å; K196-F250 HydrophobicContact CG-CE1 4.28Å; K196-F250 HydrophobicContact CG-CE2 3.86Å; K196-F250 HydrophobicContact CG-CZ 3.79Å
197P95.5Very high93.6Very high71 Ų7151.3 Ų51.346%0.46129%0.288SS..Hα-helixtrans-65.4-31-17925.3-34.8000112.9S193 S194 E200 K201S193-P197 WeakPolarHBondContact O-CD 3.29Å; S194-P197 WeakPolarHBondContact O-CG 3.42Å; P197-E200 PolarHBondContact O-N 3.49Å; P197-K201 PolarHBondContact O-N 3.02Å; P197-K201 VanDerWaalsContact O-N 3.1Å
198S95.4Very high93.4Very high24 Ų2446.2 Ų46.217%0.16826%0.258CS..Hα-helixtrans-67.1-45.1176-166.50000111.7Y149 L195 K196 K201 E202Y149-S198 WeakPolarHBondContact CE1-OG 3.43Å; Y149-S198 PolarHBondContact OH-OG 3.2Å; L195-S198 PolarHBondContact O-N 2.9Å; K196-S198 VanDerWaalsContact C-N 3.28Å; K196-S198 PolarHBondContact O-N 3.13Å; S198-K201 PolarHBondContact O-N 3.49Å; S198-E202 PolarHBondContact O-N 2.89Å; S198-E202 VanDerWaalsContact O-N 3.1Å
199L95.9Very high93Very high0 Ų047.1 Ų47.10%026%0.261CS..Hα-helixtrans-63.4-40.9174.8-76.5166.4000111.4I144 Y149 V156 L160 I179 L195 K196 K201 E202 L203 F241 F250I144-L199 HydrophobicContact CD1-CD1 3.77Å; Y149-L199 HydrophobicContact CE2-CD2 3.74Å; Y149-L199 HydrophobicContact CE2-CG 4.07Å; Y149-L199 PolarHBondContact OH-N 3.05Å; V156-L199 HydrophobicContact CG1-CD2 4.2Å; L160-L199 HydrophobicContact CD2-CD1 4.37Å; L160-L199 HydrophobicContact CD2-CD2 4.1Å; I179-L199 HydrophobicContact CG2-CD1 4.33Å; L195-L199 WeakPolarHBondContact O-CB 3.46Å; L195-L199 WeakPolarHBondContact O-CG 3.47Å; L195-L199 PolarHBondContact O-N 3.01Å; K196-L199 PolarHBondContact O-N 2.91Å; L199-K201 VanDerWaalsContact C-N 3.28Å; L199-K201 PolarHBondContact O-N 3.11Å; L199-E202 PolarHBondContact O-N 2.74Å; L199-L203 VanDerWaalsContact O-CB 3.29Å; L199-L203 WeakPolarHBondContact O-CB 3.3Å; L199-L203 WeakPolarHBondContact O-CG 3.34Å; L199-L203 PolarHBondContact O-N 3.39Å; L199-F241 HydrophobicContact CB-CE2 4.02Å; L199-F241 HydrophobicContact CB-CZ 4.01Å; L199-F250 HydrophobicContact CD1-CE1 3.98Å; L199-F250 HydrophobicContact CD1-CZ 4.43Å
200E94.9Very high92.4Very high35 Ų3550 Ų5016%0.16427%0.27CS..Hα-helixtrans-60.3-40.4177.2-73.9-178.3146.300112.2K196 P197 S204 F239 S240 F241K196-E200 WeakPolarHBondContact O-CG 3.27Å; K196-E200 PolarHBondContact O-N 3.2Å; P197-E200 PolarHBondContact O-N 3.49Å; E200-S204 WeakPolarHBondContact O-CB 3.49Å; E200-S204 PolarHBondContact O-N 3.42Å; E200-S204 PolarHBondContact O-OG 2.99Å; E200-F239 HydrophobicContact CB-CD1 4.28Å; E200-F239 HydrophobicContact CG-CD1 4.2Å; E200-F239 HydrophobicContact CG-CE1 4.12Å; E200-S240 VanDerWaalsContact OE1-CA 3.27Å; E200-S240 WeakPolarHBondContact OE1-CA 3.46Å; E200-S240 WeakPolarHBondContact OE1-CB 3.39Å; E200-S240 PolarHBondContact OE1-OG 2.81Å; E200-F241 HydrophobicContact CG-CD2 3.31Å; E200-F241 HydrophobicContact CG-CE2 3.44Å; E200-F241 VanDerWaalsContact CG-CE2 3.44Å; E200-F241 HydrophobicContact CG-CG 4.38Å; E200-F241 WeakPolarHBondContact OE1-CD2 3.13Å; E200-F241 PolarHBondContact OE1-N 3.03Å
201K93.8Very high91.3Very high145 Ų14548.2 Ų48.263%0.6326%0.264SS*.Hα-helixtrans-63.5-49.6176-174.3-176.8176.6-173.80111.9P197 S198 L199 S204 V205P197-K201 PolarHBondContact O-N 3.02Å; P197-K201 VanDerWaalsContact O-N 3.1Å; S198-K201 PolarHBondContact O-N 3.49Å; L199-K201 VanDerWaalsContact C-N 3.28Å; L199-K201 PolarHBondContact O-N 3.11Å; K201-S204 WeakPolarHBondContact O-CB 3.43Å; K201-S204 PolarHBondContact O-N 2.85Å; K201-V205 WeakPolarHBondContact O-CG2 3.43Å; K201-V205 PolarHBondContact O-N 3.1Å; K201-V205 VanDerWaalsContact O-N 3.16Å
202E94.2Very high90.4Very high60 Ų6052.9 Ų52.928%0.2828%0.28SS..Hα-helixtrans-64.3-42.9179.1-68.6-57.9137.400111.9S157 S198 L199 S204 V205 L206S157-E202 VanDerWaalsContact OG-CB 3.3Å; S157-E202 WeakPolarHBondContact OG-CB 3.36Å; S198-E202 PolarHBondContact O-N 2.89Å; S198-E202 VanDerWaalsContact O-N 3.1Å; L199-E202 PolarHBondContact O-N 2.74Å; E202-S204 VanDerWaalsContact C-N 3.3Å; E202-S204 PolarHBondContact O-N 3.41Å; E202-V205 WeakPolarHBondContact O-CB 3.49Å; E202-V205 PolarHBondContact O-N 3.33Å; E202-V205 VanDerWaalsContact O-N 3.11Å; E202-L206 PolarHBondContact O-N 2.86Å
203L93.5Very high89.6Confident0 Ų054.3 Ų54.30%029%0.293CS..Hα-helixtrans-64.8-33175.9-69.9173.8000112.3S157 L160 F161 L164 L199 V205 L206 N207 F239 F241S157-L203 WeakPolarHBondContact O-CD2 3.31Å; L160-L203 HydrophobicContact CD2-CD1 4.01Å; L160-L203 HydrophobicContact CG-CD1 4.44Å; F161-L203 HydrophobicContact CB-CD2 3.63Å; F161-L203 HydrophobicContact CD2-CD2 3.97Å; F161-L203 HydrophobicContact CG-CD2 4.31Å; L164-L203 HydrophobicContact CD1-CD1 4.44Å; L199-L203 VanDerWaalsContact O-CB 3.29Å; L199-L203 WeakPolarHBondContact O-CB 3.3Å; L199-L203 WeakPolarHBondContact O-CG 3.34Å; L199-L203 PolarHBondContact O-N 3.39Å; L203-V205 VanDerWaalsContact C-N 3.34Å; L203-L206 HydrophobicContact CD2-CD1 4.34Å; L203-L206 PolarHBondContact O-N 2.92Å; L203-N207 VanDerWaalsContact O-CB 3.28Å; L203-N207 WeakPolarHBondContact O-CB 3.47Å; L203-N207 PolarHBondContact O-N 3.28Å; L203-F239 HydrophobicContact CB-CB 4.49Å; L203-F239 HydrophobicContact CB-CD1 3.48Å; L203-F239 VanDerWaalsContact CB-CD1 3.48Å; L203-F239 HydrophobicContact CB-CE1 3.91Å; L203-F239 HydrophobicContact CB-CG 4.01Å; L203-F239 HydrophobicContact CD1-CD1 3.85Å; L203-F239 HydrophobicContact CD1-CE1 3.33Å; L203-F239 HydrophobicContact CD1-CZ 3.95Å; L203-F239 HydrophobicContact CG-CD1 4.33Å; L203-F239 HydrophobicContact CG-CE1 4.28Å; L203-F241 HydrophobicContact CD1-CE1 3.78Å; L203-F241 HydrophobicContact CD1-CE2 4.41Å; L203-F241 HydrophobicContact CD1-CZ 3.52Å
204S92.2Very high88.1Confident18 Ų1851.9 Ų51.913%0.12627%0.273CS..Hα-helixtrans-62.7-41.3171.8-61.70000111.6E200 K201 E202 K208 F239E200-S204 WeakPolarHBondContact O-CB 3.49Å; E200-S204 PolarHBondContact O-N 3.42Å; E200-S204 PolarHBondContact O-OG 2.99Å; K201-S204 WeakPolarHBondContact O-CB 3.43Å; K201-S204 PolarHBondContact O-N 2.85Å; E202-S204 VanDerWaalsContact C-N 3.3Å; E202-S204 PolarHBondContact O-N 3.41Å; S204-K208 WeakPolarHBondContact O-CG 3.29Å; S204-K208 PolarHBondContact O-N 3.29Å; S204-K208 VanDerWaalsContact O-N 3.08Å; S204-F239 WeakPolarHBondContact OG-CB 3.41Å; S204-F239 PolarHBondContact OG-N 3.34Å
205V91.4Very high86.3Confident76 Ų7651.4 Ų51.446%0.46127%0.274SS..Hα-helixtrans-64.4-48176175.80000110.1K201 E202 L203 N207 K208 T209K201-V205 WeakPolarHBondContact O-CG2 3.43Å; K201-V205 PolarHBondContact O-N 3.1Å; K201-V205 VanDerWaalsContact O-N 3.16Å; E202-V205 WeakPolarHBondContact O-CB 3.49Å; E202-V205 PolarHBondContact O-N 3.33Å; E202-V205 VanDerWaalsContact O-N 3.11Å; L203-V205 VanDerWaalsContact C-N 3.34Å; V205-N207 PolarHBondContact O-N 3.34Å; V205-K208 PolarHBondContact O-N 3.1Å; V205-T209 PolarHBondContact O-N 3.38Å; V205-T209 PolarHBondContact O-OG1 3.49Å
206L90.8Very high84.4Confident31 Ų3155 Ų5516%0.16230%0.299CS..Hα-helixtrans-60.9-43.1177.8-71.3171.8000112.4E158 F161 E202 L203 K208 T209 Q210E158-L206 HydrophobicContact CG-CD1 4.1Å; E158-L206 HydrophobicContact CG-CD2 3.91Å; F161-L206 HydrophobicContact CB-CD1 4.03Å; F161-L206 HydrophobicContact CD2-CB 4Å; F161-L206 HydrophobicContact CE2-CB 4.33Å; F161-L206 HydrophobicContact CG-CB 4.3Å; F161-L206 HydrophobicContact CG-CD1 4.44Å; E202-L206 PolarHBondContact O-N 2.86Å; L203-L206 HydrophobicContact CD2-CD1 4.34Å; L203-L206 PolarHBondContact O-N 2.92Å; L206-K208 VanDerWaalsContact C-N 3.34Å; L206-K208 PolarHBondContact O-N 2.94Å; L206-T209 PolarHBondContact O-N 3.45Å; L206-Q210 WeakPolarHBondContact O-CG 3.13Å; L206-Q210 PolarHBondContact O-N 2.95Å
207N87.7Confident82.3Confident0 Ų055.2 Ų55.20%031%0.305CS..Hα-helixtrans-61.5-43177.7-167.353000111.2F161 L203 V205 Q210 M211 L231F161-N207 HydrophobicContact CE2-CB 4.04Å; L203-N207 VanDerWaalsContact O-CB 3.28Å; L203-N207 WeakPolarHBondContact O-CB 3.47Å; L203-N207 PolarHBondContact O-N 3.28Å; V205-N207 PolarHBondContact O-N 3.34Å; N207-Q210 PolarHBondContact O-N 3.38Å; N207-M211 VanDerWaalsContact O-CG 3.23Å; N207-M211 WeakPolarHBondContact O-CG 3.34Å; N207-M211 PolarHBondContact O-N 3.46Å; N207-L231 PolarHBondContact OD1-N 3.37Å
208K86.2Confident80Confident86 Ų8656.4 Ų56.437%0.37431%0.311SS..Hα-helixtrans-62-48.4174.1-74177-178.4-174.60111.9S204 V205 L206 Q210 M211 F212 N236S204-K208 WeakPolarHBondContact O-CG 3.29Å; S204-K208 PolarHBondContact O-N 3.29Å; S204-K208 VanDerWaalsContact O-N 3.08Å; V205-K208 PolarHBondContact O-N 3.1Å; L206-K208 VanDerWaalsContact C-N 3.34Å; L206-K208 PolarHBondContact O-N 2.94Å; K208-Q210 VanDerWaalsContact C-N 3.29Å; K208-Q210 PolarHBondContact O-N 3.42Å; K208-M211 WeakPolarHBondContact O-CB 3.42Å; K208-M211 PolarHBondContact O-N 3.35Å; K208-M211 VanDerWaalsContact O-N 3.1Å; K208-F212 HydrophobicContact CB-CD2 4.43Å; K208-F212 HydrophobicContact CB-CE2 4.18Å; K208-F212 WeakPolarHBondContact O-CD2 3.49Å; K208-F212 PolarHBondContact O-N 2.67Å; K208-N236 WeakPolarHBondContact CE-O 3.46Å; K208-N236 PolarHBondContact NZ-O 2.74Å
209T85.7Confident77.9Confident83 Ų8362.5 Ų62.551%0.50934%0.341SS..Hα-helixtrans-57.5-42.6178.9-580000111.5V205 L206 F212 A213V205-T209 PolarHBondContact O-N 3.38Å; V205-T209 PolarHBondContact O-OG1 3.49Å; L206-T209 PolarHBondContact O-N 3.45Å; T209-F212 PolarHBondContact O-N 3.23Å; T209-A213 WeakPolarHBondContact O-CB 3.44Å; T209-A213 PolarHBondContact O-N 3.35Å
210Q80.2Confident75.6Confident78 Ų7867.6 Ų67.636%0.36437%0.372SS..Hα-helixtrans-66.7-39175.7-69.6-71.61.300112.5F161 L206 N207 K208 F212 A213 L214F161-Q210 HydrophobicContact CE1-CG 3.77Å; F161-Q210 HydrophobicContact CZ-CB 4.35Å; F161-Q210 HydrophobicContact CZ-CG 3.87Å; L206-Q210 WeakPolarHBondContact O-CG 3.13Å; L206-Q210 PolarHBondContact O-N 2.95Å; N207-Q210 PolarHBondContact O-N 3.38Å; K208-Q210 VanDerWaalsContact C-N 3.29Å; K208-Q210 PolarHBondContact O-N 3.42Å; Q210-F212 VanDerWaalsContact C-N 3.34Å; Q210-F212 PolarHBondContact O-N 2.96Å; Q210-A213 PolarHBondContact O-N 3.33Å; Q210-L214 WeakPolarHBondContact O-CB 3.42Å; Q210-L214 VanDerWaalsContact O-CG 3.28Å; Q210-L214 WeakPolarHBondContact O-CG 3.4Å; Q210-L214 PolarHBondContact O-N 3.48Å
211M72.8Confident73.1Confident46 Ų4669.4 Ų69.423%0.22740%0.4CS..Hα-helixtrans-60.5-42.7173.6-71.5169.374.300111.9N207 K208 G215N207-M211 VanDerWaalsContact O-CG 3.23Å; N207-M211 WeakPolarHBondContact O-CG 3.34Å; N207-M211 PolarHBondContact O-N 3.46Å; K208-M211 WeakPolarHBondContact O-CB 3.42Å; K208-M211 PolarHBondContact O-N 3.35Å; K208-M211 VanDerWaalsContact O-N 3.1Å; M211-G215 PolarHBondContact O-N 3.41Å
212F74.7Confident70.8Confident156 Ų15667.1 Ų67.168%0.68440%0.398SS*.Hα-helixtrans-69.7-40.8177.7-71.2-64.2000112.7K208 T209 Q210 L214 G215 S216K208-F212 HydrophobicContact CB-CD2 4.43Å; K208-F212 HydrophobicContact CB-CE2 4.18Å; K208-F212 WeakPolarHBondContact O-CD2 3.49Å; K208-F212 PolarHBondContact O-N 2.67Å; T209-F212 PolarHBondContact O-N 3.23Å; Q210-F212 VanDerWaalsContact C-N 3.34Å; Q210-F212 PolarHBondContact O-N 2.96Å; F212-L214 VanDerWaalsContact C-N 3.32Å; F212-L214 PolarHBondContact O-N 2.87Å; F212-G215 PolarHBondContact O-N 3.48Å; F212-G215 VanDerWaalsContact O-N 3.14Å; F212-S216 PolarHBondContact O-N 2.99Å
213A77.4Confident68.3Low49 Ų4973 Ų7341%0.40543%0.426SS..Hα-helixtrans-58.4-44.9175.500000111.2T209 Q210 S216T209-A213 WeakPolarHBondContact O-CB 3.44Å; T209-A213 PolarHBondContact O-N 3.35Å; Q210-A213 PolarHBondContact O-N 3.33Å; A213-S216 PolarHBondContact O-N 3.11Å; A213-S216 PolarHBondContact O-OG 3.43Å
214L62.2Low65.8Low37 Ų3776.4 Ų76.419%0.19445%0.449CS..Hα-helixtrans-70.1-30.1175.4-66.5168.2000113.3Q210 F212 T217 A229 R230Q210-L214 WeakPolarHBondContact O-CB 3.42Å; Q210-L214 VanDerWaalsContact O-CG 3.28Å; Q210-L214 WeakPolarHBondContact O-CG 3.4Å; Q210-L214 PolarHBondContact O-N 3.48Å; F212-L214 VanDerWaalsContact C-N 3.32Å; F212-L214 PolarHBondContact O-N 2.87Å; L214-T217 PolarHBondContact O-OG1 3.36Å; L214-A229 HydrophobicContact CD1-CB 4.19Å; L214-R230 HydrophobicContact CD1-CG 4.03Å
215G57Low63.5Low31 Ų3186.7 Ų86.732%0.3249%0.485SS..Hα-helixtrans-68-37.2174.600000112.2M211 F212 T217 T218M211-G215 PolarHBondContact O-N 3.41Å; F212-G215 PolarHBondContact O-N 3.48Å; F212-G215 VanDerWaalsContact O-N 3.14Å; G215-T217 VanDerWaalsContact C-N 3.29Å; G215-T217 PolarHBondContact O-N 3Å; G215-T218 PolarHBondContact O-N 2.99Å; G215-T218 VanDerWaalsContact O-N 3.13Å; G215-T218 PolarHBondContact O-OG1 3.33Å
216S55.1Low61.6Low74 Ų7487.8 Ų87.852%0.51749%0.489SS..Hα-helixtrans-65.6-29-179.372.40000113.6F212 A213 T218F212-S216 PolarHBondContact O-N 2.99Å; A213-S216 PolarHBondContact O-N 3.11Å; A213-S216 PolarHBondContact O-OG 3.43Å; S216-T218 VanDerWaalsContact C-N 3.29Å; S216-T218 PolarHBondContact O-N 2.97Å
217T51.5Low59.6Low60 Ų6090.1 Ų90.137%0.36851%0.508SS..G310 helixtrans-77.5-12.3176.552.50000113.4L214 G215 I219 T220L214-T217 PolarHBondContact O-OG1 3.36Å; G215-T217 VanDerWaalsContact C-N 3.29Å; G215-T217 PolarHBondContact O-N 3Å; T217-I219 VanDerWaalsContact C-N 3.29Å; T217-I219 PolarHBondContact O-N 3.31Å; T217-T220 PolarHBondContact O-N 3.09Å; T217-T220 PolarHBondContact O-OG1 3.34Å
218T47.4Very low58Low95 Ų9593.8 Ų93.858%0.58353%0.527SS*.G310 helixtrans-74.9-16.4175.464.20000113.6G215 S216 T220 G221G215-T218 PolarHBondContact O-N 2.99Å; G215-T218 VanDerWaalsContact O-N 3.13Å; G215-T218 PolarHBondContact O-OG1 3.33Å; S216-T218 VanDerWaalsContact C-N 3.29Å; S216-T218 PolarHBondContact O-N 2.97Å; T218-T220 PolarHBondContact O-N 3.1Å; T218-G221 PolarHBondContact O-N 3Å
219I50.7Low56.7Low153 Ų15391.3 Ų91.379%0.78552%0.522SS*.G310 helixtrans-65.8-21.4172.9-57.5176.1000110.9T217T217-I219 VanDerWaalsContact C-N 3.29Å; T217-I219 PolarHBondContact O-N 3.31Å
220T47.6Very low55.9Low106 Ų10691.5 Ų91.565%0.6551%0.514SS*.G310 helixtrans-102.328.8176.751.20000114.1T217 T218 V222T217-T220 PolarHBondContact O-N 3.09Å; T217-T220 PolarHBondContact O-OG1 3.34Å; T218-T220 PolarHBondContact O-N 3.1Å; T220-V222 PolarHBondContact O-N 3.23Å
221G43Very low55.6Low74 Ų7487.9 Ų87.976%0.76350%0.497SS*.THydrogen-bonded Turntrans60.67161.400000118T218T218-G221 PolarHBondContact O-N 3Å
222V45.5Very low55.8Low97 Ų9786.7 Ų86.759%0.58849%0.492SS*.  trans-101.2103.8175.5-178.10000107.4T220 S224T220-V222 PolarHBondContact O-N 3.23Å; V222-S224 PolarHBondContact O-N 3.5Å
223E42Very low55.3Low184 Ų18484.9 Ų84.986%0.8649%0.489SS*.  trans-63.285.9169.1-66.4-176.4165.200109.4R225E223-R225 PolarHBondContact O-N 3.42Å
224S40.7Very low55Low71 Ų7185.6 Ų85.650%0.49749%0.486SS..  trans-67.1107.4173.4-570000108.9V222 D226V222-S224 PolarHBondContact O-N 3.5Å; S224-D226 PolarHBondContact O-N 2.86Å
225R43.5Very low55.2Low234 Ų23489.1 Ų89.188%0.88351%0.511SS*.  trans-58.616.8178.1-76.5179.2169171.3-2.9116E223 S227E223-R225 PolarHBondContact O-N 3.42Å; R225-S227 VanDerWaalsContact C-N 3.31Å; R225-S227 PolarHBondContact O-N 3.26Å; R225-S227 VanDerWaalsContact O-N 3.11Å
226D51.9Low56Low99 Ų9992.6 Ų92.653%0.52952%0.522SS..  trans-92.660.8-175.3-68.8-32.3000112S224 N228 A229S224-D226 PolarHBondContact O-N 2.86Å; D226-N228 PolarHBondContact O-N 2.59Å; D226-A229 PolarHBondContact O-N 2.64Å
227S49.8Very low56.8Low80 Ų8089.1 Ų89.156%0.55950%0.498SS*.G310 helixtrans-55.9-10.9159.753.90000112.7R225R225-S227 VanDerWaalsContact C-N 3.31Å; R225-S227 PolarHBondContact O-N 3.26Å; R225-S227 VanDerWaalsContact O-N 3.11Å
228N53.4Low58.2Low76 Ų7692.3 Ų92.341%0.40651%0.509SS..G310 helixtrans-79.6-15.5-177.9-63.2-24.3000114.2D226D226-N228 PolarHBondContact O-N 2.59Å
229A59Low60.1Low34 Ų3488.2 Ų88.228%0.28148%0.483SS..G310 helixtrans-84.4-11.5178.300000113.4L214 D226L214-A229 HydrophobicContact CD1-CB 4.19Å; D226-A229 PolarHBondContact O-N 2.64Å
230R67.9Low62Low87 Ų8782.8 Ų82.833%0.32846%0.459SS..  trans-93.5130.4-178.6-63.7-177.7-177.2176.40.2110.4K168 L214K168-R230 WeakPolarHBondContact CD-O 3.2Å; K168-R230 PolarHBondContact NZ-O 3.32Å; L214-R230 HydrophobicContact CD1-CG 4.03Å
231L74.5Confident64.1Low2 Ų278 Ų781%0.0143%0.429CS..SBendtrans-74.2-42.6177.3-156.5102.8000110.9F161 L164 K168 N207 F239 L244F161-L231 HydrophobicContact CD2-CD1 4.13Å; F161-L231 HydrophobicContact CE2-CB 3.82Å; F161-L231 HydrophobicContact CE2-CD1 4.2Å; F161-L231 HydrophobicContact CE2-CG 4.46Å; F161-L231 HydrophobicContact CZ-CB 4.29Å; L164-L231 HydrophobicContact CB-CD1 3.4Å; L164-L231 HydrophobicContact CD1-CD1 4.21Å; L164-L231 HydrophobicContact CG-CD1 4.46Å; K168-L231 PolarHBondContact NZ-O 2.72Å; N207-L231 PolarHBondContact OD1-N 3.37Å; L231-F239 HydrophobicContact CD2-CD2 3.13Å; L231-F239 HydrophobicContact CD2-CE2 2.99Å; L231-F239 HydrophobicContact CD2-CG 4.09Å; L231-F239 HydrophobicContact CD2-CZ 3.83Å; L231-F239 HydrophobicContact CG-CE2 4.35Å; L231-L244 HydrophobicContact CD2-CD2 3.93Å; L231-L244 HydrophobicContact CG-CD2 4.02Å
232L76.5Confident66.2Low22 Ų2280.3 Ų80.312%0.11542%0.424CS..  trans-139.1150.6176.9-69.3168.7000111.6N234 F239 S243 L244L232-N234 VanDerWaalsContact C-N 3.32Å; L232-N234 PolarHBondContact O-N 3.42Å; L232-F239 HydrophobicContact CD1-CB 4.38Å; L232-F239 HydrophobicContact CD1-CD2 3.45Å; L232-F239 VanDerWaalsContact CD1-CD2 3.45Å; L232-F239 HydrophobicContact CD1-CE2 4.13Å; L232-F239 HydrophobicContact CD1-CG 4.36Å; L232-F239 HydrophobicContact CG-CD2 4.22Å; L232-S243 WeakPolarHBondContact CD1-OG 3.39Å; L232-L244 HydrophobicContact CD2-CD2 4.09Å; L232-L244 HydrophobicContact CG-CD2 4.31Å
233D65.3Low68.2Low118 Ų11878.7 Ų78.763%0.63142%0.417SS*.  trans-95.227.4177-59-47000112.6
234N70.8Confident70.3Confident63 Ų6371.1 Ų71.134%0.33738%0.382SS..  trans-81.1122.6178.2-172.3-10.8000110.2L232 N236 G237L232-N234 VanDerWaalsContact C-N 3.32Å; L232-N234 PolarHBondContact O-N 3.42Å; N234-N236 PolarHBondContact O-N 3.05Å; N234-N236 VanDerWaalsContact O-N 3.13Å; N234-N236 PolarHBondContact OD1-N 2.62Å; N234-G237 PolarHBondContact O-N 2.98Å
235P66.4Low72.4Confident112 Ų11275.5 Ų75.573%0.72740%0.395SS*.THydrogen-bonded Turntrans-58.3-27.3-179.822.8-35.3000113.7G237P235-G237 PolarHBondContact O-N 2.87Å
236N73.2Confident74.4Confident103 Ų10365.1 Ų65.155%0.55136%0.357SS*.THydrogen-bonded Turntrans-77.1-10.8-179.2-65.7-11.4000113.1K208 N234 Q238K208-N236 WeakPolarHBondContact CE-O 3.46Å; K208-N236 PolarHBondContact NZ-O 2.74Å; N234-N236 PolarHBondContact O-N 3.05Å; N234-N236 VanDerWaalsContact O-N 3.13Å; N234-N236 PolarHBondContact OD1-N 2.62Å; N236-Q238 HydrophobicContact CB-CG 4.34Å; N236-Q238 PolarHBondContact O-N 3.46Å
237G71.8Confident76.3Confident1 Ų165.5 Ų65.51%0.0136%0.355CS..  trans61.810.2-17500000114.3N234 P235 F239N234-G237 PolarHBondContact O-N 2.98Å; P235-G237 PolarHBondContact O-N 2.87Å; G237-F239 PolarHBondContact O-N 3.24Å
238Q81.5Confident78.5Confident127 Ų12762.6 Ų62.659%0.59333%0.334SS*.  trans-75.2124174.4-70.4-176.3-0.600108.9N236N236-Q238 HydrophobicContact CB-CG 4.34Å; N236-Q238 PolarHBondContact O-N 3.46Å
239F87.4Confident80.5Confident9 Ų961 Ų614%0.03933%0.325CS..  trans-102.9135.2178.2170.5-97.4000110.1E200 L203 S204 L231 L232 G237 F241 L244E200-F239 HydrophobicContact CB-CD1 4.28Å; E200-F239 HydrophobicContact CG-CD1 4.2Å; E200-F239 HydrophobicContact CG-CE1 4.12Å; L203-F239 HydrophobicContact CB-CB 4.49Å; L203-F239 HydrophobicContact CB-CD1 3.48Å; L203-F239 VanDerWaalsContact CB-CD1 3.48Å; L203-F239 HydrophobicContact CB-CE1 3.91Å; L203-F239 HydrophobicContact CB-CG 4.01Å; L203-F239 HydrophobicContact CD1-CD1 3.85Å; L203-F239 HydrophobicContact CD1-CE1 3.33Å; L203-F239 HydrophobicContact CD1-CZ 3.95Å; L203-F239 HydrophobicContact CG-CD1 4.33Å; L203-F239 HydrophobicContact CG-CE1 4.28Å; S204-F239 WeakPolarHBondContact OG-CB 3.41Å; S204-F239 PolarHBondContact OG-N 3.34Å; L231-F239 HydrophobicContact CD2-CD2 3.13Å; L231-F239 HydrophobicContact CD2-CE2 2.99Å; L231-F239 HydrophobicContact CD2-CG 4.09Å; L231-F239 HydrophobicContact CD2-CZ 3.83Å; L231-F239 HydrophobicContact CG-CE2 4.35Å; L232-F239 HydrophobicContact CD1-CB 4.38Å; L232-F239 HydrophobicContact CD1-CD2 3.45Å; L232-F239 VanDerWaalsContact CD1-CD2 3.45Å; L232-F239 HydrophobicContact CD1-CE2 4.13Å; L232-F239 HydrophobicContact CD1-CG 4.36Å; L232-F239 HydrophobicContact CG-CD2 4.22Å; G237-F239 PolarHBondContact O-N 3.24Å; F239-F241 AromaticContact CE1-CD1 3.81Å; F239-F241 HydrophobicContact CE1-CD1 3.81Å; F239-F241 HydrophobicContact CE1-CD2 4.01Å; F239-F241 AromaticContact CE1-CE1 3.78Å; F239-F241 HydrophobicContact CE1-CE1 3.78Å; F239-F241 AromaticContact CE1-CE2 3.96Å; F239-F241 HydrophobicContact CE1-CE2 3.96Å; F239-F241 AromaticContact CE1-CG 3.93Å; F239-F241 HydrophobicContact CE1-CG 3.93Å; F239-F241 AromaticContact CE1-CZ 3.86Å; F239-F241 HydrophobicContact CE1-CZ 3.86Å; F239-F241 HydrophobicContact CZ-CB 4.45Å; F239-F241 AromaticContact CZ-CD1 3.54Å; F239-F241 HydrophobicContact CZ-CD1 3.54Å; F239-F241 HydrophobicContact CZ-CD2 4.46Å; F239-F241 AromaticContact CZ-CE1 3.78Å; F239-F241 HydrophobicContact CZ-CE1 3.78Å; F239-F241 AromaticContact CZ-CG 3.92Å; F239-F241 HydrophobicContact CZ-CG 3.92Å; F239-F241 HydrophobicContact CZ-CZ 4.34Å; F239-L244 HydrophobicContact CE2-CD1 3.68Å; F239-L244 HydrophobicContact CE2-CD2 3.89Å; F239-L244 HydrophobicContact CE2-CG 3.7Å; F239-L244 HydrophobicContact CZ-CD1 3.71Å; F239-L244 HydrophobicContact CZ-CG 4.19Å
240S89.9Confident82.2Confident39 Ų3961.1 Ų61.127%0.27332%0.32SS..  trans-136.4141.6163.5175.20000109.3E200 D242 S243E200-S240 VanDerWaalsContact OE1-CA 3.27Å; E200-S240 WeakPolarHBondContact OE1-CA 3.46Å; E200-S240 WeakPolarHBondContact OE1-CB 3.39Å; E200-S240 PolarHBondContact OE1-OG 2.81Å; S240-D242 PolarHBondContact O-N 3.02Å; S240-D242 PolarHBondContact OG-N 2.93Å; S240-S243 PolarHBondContact O-N 3.45Å; S240-S243 VanDerWaalsContact O-N 3.09Å; S240-S243 PolarHBondContact O-OG 3.44Å
241F91.4Very high83.5Confident5 Ų557.2 Ų57.22%0.02231%0.306CS..G310 helixtrans-58.3-33178.8-70.8-74.3000112.1L160 L164 I179 K196 L199 E200 L203 F239 S243 L244 V248 F250L160-F241 HydrophobicContact CD2-CE1 4.22Å; L160-F241 HydrophobicContact CD2-CZ 4.07Å; L164-F241 HydrophobicContact CD1-CE1 4.2Å; I179-F241 HydrophobicContact CD1-CE1 3.81Å; I179-F241 HydrophobicContact CD1-CZ 3.88Å; K196-F241 HydrophobicContact CG-CD2 4.04Å; K196-F241 HydrophobicContact CG-CE2 4.36Å; L199-F241 HydrophobicContact CB-CE2 4.02Å; L199-F241 HydrophobicContact CB-CZ 4.01Å; E200-F241 HydrophobicContact CG-CD2 3.31Å; E200-F241 HydrophobicContact CG-CE2 3.44Å; E200-F241 VanDerWaalsContact CG-CE2 3.44Å; E200-F241 HydrophobicContact CG-CG 4.38Å; E200-F241 WeakPolarHBondContact OE1-CD2 3.13Å; E200-F241 PolarHBondContact OE1-N 3.03Å; L203-F241 HydrophobicContact CD1-CE1 3.78Å; L203-F241 HydrophobicContact CD1-CE2 4.41Å; L203-F241 HydrophobicContact CD1-CZ 3.52Å; F239-F241 AromaticContact CE1-CD1 3.81Å; F239-F241 HydrophobicContact CE1-CD1 3.81Å; F239-F241 HydrophobicContact CE1-CD2 4.01Å; F239-F241 AromaticContact CE1-CE1 3.78Å; F239-F241 HydrophobicContact CE1-CE1 3.78Å; F239-F241 AromaticContact CE1-CE2 3.96Å; F239-F241 HydrophobicContact CE1-CE2 3.96Å; F239-F241 AromaticContact CE1-CG 3.93Å; F239-F241 HydrophobicContact CE1-CG 3.93Å; F239-F241 AromaticContact CE1-CZ 3.86Å; F239-F241 HydrophobicContact CE1-CZ 3.86Å; F239-F241 HydrophobicContact CZ-CB 4.45Å; F239-F241 AromaticContact CZ-CD1 3.54Å; F239-F241 HydrophobicContact CZ-CD1 3.54Å; F239-F241 HydrophobicContact CZ-CD2 4.46Å; F239-F241 AromaticContact CZ-CE1 3.78Å; F239-F241 HydrophobicContact CZ-CE1 3.78Å; F239-F241 AromaticContact CZ-CG 3.92Å; F239-F241 HydrophobicContact CZ-CG 3.92Å; F239-F241 HydrophobicContact CZ-CZ 4.34Å; F241-S243 PolarHBondContact O-N 3.11Å; F241-L244 HydrophobicContact CD1-CD1 4.28Å; F241-L244 WeakPolarHBondContact O-CB 2.96Å; F241-L244 PolarHBondContact O-N 3.16Å; F241-V248 HydrophobicContact CB-CB 4.42Å; F241-V248 HydrophobicContact CD1-CB 4.14Å; F241-V248 HydrophobicContact CD1-CG1 3.82Å; F241-V248 HydrophobicContact CD1-CG2 4.15Å; F241-V248 HydrophobicContact CE1-CG1 4.28Å; F241-V248 HydrophobicContact CG-CG1 4.42Å; F241-F250 HydrophobicContact CD1-CE2 4.48Å; F241-F250 AromaticContact CD2-CE2 3.81Å; F241-F250 HydrophobicContact CD2-CE2 3.81Å; F241-F250 AromaticContact CD2-CZ 3.74Å; F241-F250 HydrophobicContact CD2-CZ 3.74Å; F241-F250 HydrophobicContact CE1-CZ 4.37Å; F241-F250 HydrophobicContact CE2-CE2 4.04Å; F241-F250 AromaticContact CE2-CZ 3.48Å; F241-F250 HydrophobicContact CE2-CZ 3.48Å; F241-F250 VanDerWaalsContact CE2-CZ 3.48Å; F241-F250 HydrophobicContact CG-CE2 4.05Å; F241-F250 HydrophobicContact CG-CZ 4.31Å; F241-F250 HydrophobicContact CZ-CE2 4.46Å; F241-F250 AromaticContact CZ-CZ 3.82Å; F241-F250 HydrophobicContact CZ-CZ 3.82Å
242D88.6Confident84.4Confident123 Ų12360.2 Ų60.266%0.65832%0.322SS*.G310 helixtrans-71.1-17.4-176.9-54-13.9000112.2K196 S240K196-D242 IonicContact NZ-OD1 3.64Å; K196-D242 PolarHBondContact NZ-OD1 3.26Å; K196-D242 IonicContact NZ-OD2 2.82Å; S240-D242 PolarHBondContact O-N 3.02Å; S240-D242 PolarHBondContact OG-N 2.93Å
243S86.9Confident85.2Confident64 Ų6459.4 Ų59.445%0.44832%0.318SS..G310 helixtrans-87-7.1176.6690000114L232 S240 F241L232-S243 WeakPolarHBondContact CD1-OG 3.39Å; S240-S243 PolarHBondContact O-N 3.45Å; S240-S243 VanDerWaalsContact O-N 3.09Å; S240-S243 PolarHBondContact O-OG 3.44Å; F241-S243 PolarHBondContact O-N 3.11Å
244L85.3Confident86.4Confident24 Ų2454 Ų5413%0.12629%0.29CS..SBendtrans-76148176.3-69.1173.1000111.3L164 L231 L232 F239 F241 I246 V248L164-L244 HydrophobicContact CD1-CD1 4.2Å; L164-L244 HydrophobicContact CD2-CD1 4.37Å; L231-L244 HydrophobicContact CD2-CD2 3.93Å; L231-L244 HydrophobicContact CG-CD2 4.02Å; L232-L244 HydrophobicContact CD2-CD2 4.09Å; L232-L244 HydrophobicContact CG-CD2 4.31Å; F239-L244 HydrophobicContact CE2-CD1 3.68Å; F239-L244 HydrophobicContact CE2-CD2 3.89Å; F239-L244 HydrophobicContact CE2-CG 3.7Å; F239-L244 HydrophobicContact CZ-CD1 3.71Å; F239-L244 HydrophobicContact CZ-CG 4.19Å; F241-L244 HydrophobicContact CD1-CD1 4.28Å; F241-L244 WeakPolarHBondContact O-CB 2.96Å; F241-L244 PolarHBondContact O-N 3.16Å; L244-I246 PolarHBondContact O-N 3.08Å; L244-V248 HydrophobicContact CD1-CG2 4.13Å
245Q84.7Confident87.1Confident164 Ų16451.1 Ų51.177%0.76627%0.274SS*.SBendtrans-73.2-5.8168.6-65-177.4300113
246I87.3Confident87.7Confident15 Ų1551.4 Ų51.48%0.07726%0.264CS..SBendtrans-101.9130.7-177.9-61165.8000107.4L167 V177 L244 V248L167-I246 HydrophobicContact CB-CD1 3.66Å; V177-I246 HydrophobicContact CG2-CG2 3.72Å; L244-I246 PolarHBondContact O-N 3.08Å; I246-V248 HydrophobicContact CG2-CG2 4.45Å; I246-V248 PolarHBondContact O-N 3.45Å
247H91.3Very high87.3Confident107 Ų10748 Ų4850%0.49525%0.247SC..  trans-71.1118.7176.2-168-93.4000110.1K176 V177 D249K176-H247 HydrophobicContact CG-CB 4.36Å; V177-H247 PolarHBondContact N-O 3.44Å; H247-D249 IonicContact CE1-OD1 2.89Å; H247-D249 PolarHBondContact CE1-OD1 3.28Å; H247-D249 IonicContact CE1-OD2 2.62Å; H247-D249 PolarHBondContact CE1-OD2 2.95Å; H247-D249 IonicContact ND1-OD1 2.58Å; H247-D249 IonicContact ND1-OD2 3.68Å; H247-D249 PolarHBondContact ND1-OD2 3.1Å
248V94.6Very high86.3Confident20 Ų2052.2 Ų52.212%0.12128%0.276CS..EExtended strand (participates in β ladder)trans-118.6112.7179.4-171.50000110L164 V177 I179 F241 L244 I246 F250L164-V248 HydrophobicContact CD2-CG2 4.48Å; V177-V248 HydrophobicContact CB-CG1 4.36Å; V177-V248 HydrophobicContact CB-CG2 4.21Å; V177-V248 HydrophobicContact CG1-CG1 4.31Å; V177-V248 CarbonylContact O-C 3.4Å; V177-V248 WeakPolarHBondContact O-CA 3.46Å; I179-V248 HydrophobicContact CD1-CG1 3.69Å; I179-V248 HydrophobicContact CG1-CG1 4.16Å; F241-V248 HydrophobicContact CB-CB 4.42Å; F241-V248 HydrophobicContact CD1-CB 4.14Å; F241-V248 HydrophobicContact CD1-CG1 3.82Å; F241-V248 HydrophobicContact CD1-CG2 4.15Å; F241-V248 HydrophobicContact CE1-CG1 4.28Å; F241-V248 HydrophobicContact CG-CG1 4.42Å; L244-V248 HydrophobicContact CD1-CG2 4.13Å; I246-V248 HydrophobicContact CG2-CG2 4.45Å; I246-V248 PolarHBondContact O-N 3.45Å; V248-F250 HydrophobicContact CG1-CE2 4.02Å
249D95.4Very high84.9Confident42 Ų4249.3 Ų49.323%0.22527%0.274CS..EExtended strand (participates in β ladder)trans-98.5156.9173.9-68-55.1000111.1V177 L178 I179 H247 W274V177-D249 PolarHBondContact O-N 2.97Å; L178-D249 CarbonylContact C-O 3.59Å; L178-D249 WeakPolarHBondContact CA-O 3.04Å; L178-D249 HydrophobicContact CD1-CB 3.77Å; I179-D249 PolarHBondContact N-O 2.94Å; H247-D249 IonicContact CE1-OD1 2.89Å; H247-D249 PolarHBondContact CE1-OD1 3.28Å; H247-D249 IonicContact CE1-OD2 2.62Å; H247-D249 PolarHBondContact CE1-OD2 2.95Å; H247-D249 IonicContact ND1-OD1 2.58Å; H247-D249 IonicContact ND1-OD2 3.68Å; H247-D249 PolarHBondContact ND1-OD2 3.1Å; D249-W274 VanDerWaalsContact OD2-CD1 3.32Å; D249-W274 PolarHBondContact OD2-NE1 3.12Å
250F95.7Very high83.1Confident36 Ų3655.1 Ų55.116%0.15831%0.31CS..EExtended strand (participates in β ladder)trans-124.2141175-80.1-100.7000109.8I179 K196 L199 F241 V248I179-F250 HydrophobicContact CB-CD1 3.75Å; I179-F250 HydrophobicContact CB-CE1 3.74Å; I179-F250 HydrophobicContact CB-CG 4.21Å; I179-F250 HydrophobicContact CB-CZ 4.18Å; I179-F250 HydrophobicContact CD1-CD1 4.39Å; I179-F250 HydrophobicContact CD1-CE1 3.6Å; I179-F250 HydrophobicContact CD1-CE2 3.76Å; I179-F250 HydrophobicContact CD1-CZ 3.23Å; I179-F250 HydrophobicContact CG1-CE1 4.26Å; I179-F250 HydrophobicContact CG1-CZ 4.25Å; I179-F250 HydrophobicContact CG2-CD1 3.72Å; I179-F250 HydrophobicContact CG2-CE1 3.57Å; I179-F250 HydrophobicContact CG2-CZ 4.38Å; I179-F250 WeakPolarHBondContact O-CA 3.35Å; K196-F250 HydrophobicContact CB-CD1 4.19Å; K196-F250 HydrophobicContact CB-CE1 3.86Å; K196-F250 HydrophobicContact CB-CE2 4.29Å; K196-F250 HydrophobicContact CB-CZ 3.9Å; K196-F250 HydrophobicContact CD-CD2 4.18Å; K196-F250 HydrophobicContact CD-CE2 4Å; K196-F250 HydrophobicContact CD-CZ 4.44Å; K196-F250 HydrophobicContact CG-CD2 4.38Å; K196-F250 HydrophobicContact CG-CE1 4.28Å; K196-F250 HydrophobicContact CG-CE2 3.86Å; K196-F250 HydrophobicContact CG-CZ 3.79Å; L199-F250 HydrophobicContact CD1-CE1 3.98Å; L199-F250 HydrophobicContact CD1-CZ 4.43Å; F241-F250 HydrophobicContact CD1-CE2 4.48Å; F241-F250 AromaticContact CD2-CE2 3.81Å; F241-F250 HydrophobicContact CD2-CE2 3.81Å; F241-F250 AromaticContact CD2-CZ 3.74Å; F241-F250 HydrophobicContact CD2-CZ 3.74Å; F241-F250 HydrophobicContact CE1-CZ 4.37Å; F241-F250 HydrophobicContact CE2-CE2 4.04Å; F241-F250 AromaticContact CE2-CZ 3.48Å; F241-F250 HydrophobicContact CE2-CZ 3.48Å; F241-F250 VanDerWaalsContact CE2-CZ 3.48Å; F241-F250 HydrophobicContact CG-CE2 4.05Å; F241-F250 HydrophobicContact CG-CZ 4.31Å; F241-F250 HydrophobicContact CZ-CE2 4.46Å; F241-F250 AromaticContact CZ-CZ 3.82Å; F241-F250 HydrophobicContact CZ-CZ 3.82Å; V248-F250 HydrophobicContact CG1-CE2 4.02Å
251C94.6Very high81.1Confident6 Ų657.7 Ų57.74%0.04132%0.324CS..EExtended strand (participates in β ladder)trans-146.1152.317376.10000113.1L178 I179 C181 F270L178-C251 HydrophobicContact CD1-CB 4.11Å; I179-C251 PolarHBondContact O-N 3.4Å; C181-C251 WeakPolarHBondContact CB-O 3.23Å; C181-C251 PolarHBondContact N-O 2.89Å; C251-F270 HydrophobicContact CB-CB 4.36Å; C251-F270 HydrophobicContact CB-CD1 3.19Å; C251-F270 HydrophobicContact CB-CE1 3.5Å; C251-F270 HydrophobicContact CB-CG 3.81Å; C251-F270 HydrophobicContact CB-CZ 4.32Å
252D93.9Very high78.8Confident65 Ų6566 Ų6635%0.34837%0.368SS..EExtended strand (participates in β ladder)trans-95.7126.8171.8-72-48000109.3Q184 T191 S192Q184-D252 HydrophobicContact CG-CB 3.96Å; Q184-D252 PolarHBondContact NE2-OD1 3.14Å; T191-D252 WeakPolarHBondContact CA-OD1 3.29Å; S192-D252 WeakPolarHBondContact CB-OD1 3.42Å; S192-D252 PolarHBondContact N-OD1 3.05Å; S192-D252 PolarHBondContact N-OD2 2.75Å; S192-D252 VanDerWaalsContact OG-CG 3.31Å; S192-D252 PolarHBondContact OG-OD1 2.82Å; S192-D252 PolarHBondContact OG-OD2 3.07Å
253C92.3Very high76.8Confident5 Ų566.6 Ų66.63%0.03437%0.365CS..  trans-144.6162.3-178.569.80000113.6C181 N182 K183 Q184 T267 L268 V271C181-C253 PolarHBondContact O-N 3.29Å; N182-C253 CarbonylContact C-O 3.59Å; N182-C253 VanDerWaalsContact CA-O 3.26Å; N182-C253 WeakPolarHBondContact CA-O 3.44Å; N182-C253 PolarHBondContact OD1-O 3.24Å; K183-C253 PolarHBondContact N-O 2.88Å; K183-C253 VanDerWaalsContact N-O 3.16Å; Q184-C253 WeakPolarHBondContact CB-O 3.42Å; Q184-C253 VanDerWaalsContact CG-O 3.24Å; Q184-C253 WeakPolarHBondContact CG-O 3.3Å; Q184-C253 PolarHBondContact N-O 3.06Å; Q184-C253 VanDerWaalsContact N-O 3.17Å; C253-T267 WeakPolarHBondContact CA-O 3.5Å; C253-T267 WeakPolarHBondContact CB-O 3.33Å; C253-L268 HydrophobicContact CB-CD2 3.99Å; C253-V271 HydrophobicContact CB-CG2 4.38Å
254S91.3Very high75Confident5 Ų569 Ų694%0.03537%0.369CS..  trans-138.1119.1170173.50000110.1N182 D185 K256 T267N182-S254 WeakPolarHBondContact OD1-CA 3.39Å; D185-S254 VanDerWaalsContact CG-OG 3.24Å; D185-S254 WeakPolarHBondContact OD1-CB 3.21Å; D185-S254 PolarHBondContact OD1-OG 2.96Å; S254-K256 VanDerWaalsContact C-N 3.26Å; S254-K256 PolarHBondContact OG-N 3.12Å; S254-K256 PolarHBondContact OG-O 3.48Å; S254-T267 VanDerWaalsContact O-CB 3.27Å; S254-T267 WeakPolarHBondContact O-CB 3.34Å; S254-T267 PolarHBondContact O-OG1 2.95Å
255S85.3Confident73.4Confident2 Ų273.9 Ų73.91%0.01439%0.391CS..SBendtrans-75.5-15.6172.2-44.10000113A83 N182A83-S255 WeakPolarHBondContact CB-OG 3.35Å; N182-S255 PolarHBondContact ND2-OG 2.91Å; N182-S255 VanDerWaalsContact ND2-OG 3.17Å; N182-S255 PolarHBondContact OD1-N 3.32Å; N182-S255 PolarHBondContact OD1-OG 2.68Å; N182-S255 VanDerWaalsContact OD1-OG 3.14Å
256K78.8Confident72.2Confident117 Ų11768.7 Ų68.751%0.50937%0.371SS..  trans-10697.6179.5-74.3-170.9176.5-174.70109.1F92 S254F92-K256 HydrophobicContact CD2-CG 4.07Å; F92-K256 HydrophobicContact CE2-CD 4.19Å; F92-K256 HydrophobicContact CE2-CG 3.56Å; F92-K256 HydrophobicContact CZ-CD 4.33Å; F92-K256 HydrophobicContact CZ-CG 4.14Å; S254-K256 VanDerWaalsContact C-N 3.26Å; S254-K256 PolarHBondContact OG-N 3.12Å; S254-K256 PolarHBondContact OG-O 3.48Å
257T64.7Low71.5Confident31 Ų3169.6 Ų69.619%0.1938%0.377CS..  trans-134.3116.6166.9-51.70000108.1A259 T267T257-A259 PolarHBondContact O-N 2.95Å; T257-T267 HydrophobicContact CG2-CG2 4.49Å; T257-T267 VanDerWaalsContact OG1-CG2 3.29Å; T257-T267 WeakPolarHBondContact OG1-CG2 3.21Å
258S51.2Low71.1Confident90 Ų9065 Ų6563%0.62936%0.356SS*.  trans-59.2134.4173.8-56.70000109T260 V261S258-T260 PolarHBondContact O-N 3.46Å; S258-V261 PolarHBondContact O-N 3.34Å
259A51.8Low70.6Confident67 Ų6770 Ų7055%0.55437%0.373SS*.THydrogen-bonded Turntrans-53.6-11.7178.200000114.2T257 V261 E264T257-A259 PolarHBondContact O-N 2.95Å; A259-V261 VanDerWaalsContact C-N 3.31Å; A259-V261 PolarHBondContact O-N 2.98Å; A259-E264 WeakPolarHBondContact CB-OE1 3.42Å
260T49.5Very low70.2Confident130 Ų13072.3 Ų72.380%0.79838%0.381SS*.THydrogen-bonded Turntrans-73.5-15.2-175.3-14.30000114.5S258S258-T260 PolarHBondContact O-N 3.46Å
261V48Very low70Confident93 Ų9370.8 Ų70.856%0.56438%0.375SS*.SBendtrans-104.4116.5171-175.50000107.8S258 A259 K263S258-V261 PolarHBondContact O-N 3.34Å; A259-V261 VanDerWaalsContact C-N 3.31Å; A259-V261 PolarHBondContact O-N 2.98Å; V261-K263 PolarHBondContact O-N 3.39Å
262L44.2Very low69.8Low180 Ų18074.8 Ų74.894%0.94239%0.392SS*.SBendtrans-58.748.7175.3-81.6157.3000114.3
263K47.1Very low69.6Low135 Ų13578 Ų7859%0.58741%0.405SS*.  trans-141.345.8168.3-72.9-173.1170.2179.70109.7V261 E265 T266V261-K263 PolarHBondContact O-N 3.39Å; K263-E265 PolarHBondContact O-N 3.17Å; K263-T266 HydrophobicContact CB-CG2 4Å; K263-T266 WeakPolarHBondContact CB-OG1 3.22Å; K263-T266 HydrophobicContact CD-CG2 4.07Å; K263-T266 HydrophobicContact CG-CG2 4.23Å; K263-T266 PolarHBondContact O-N 3.46Å; K263-T266 PolarHBondContact O-OG1 3.36Å; K263-T266 VanDerWaalsContact O-OG1 3.12Å
264E48.3Very low69.6Low115 Ų11578.5 Ų78.554%0.53741%0.405SS..THydrogen-bonded Turntrans-56.4-15.4178.3-71.9-173.4132.700114.4A259A259-E264 WeakPolarHBondContact CB-OE1 3.42Å
265E52.3Low69.7Low126 Ų12678.3 Ų78.359%0.58940%0.404SS*.THydrogen-bonded Turntrans-99.8-15.4177-67.8-177.315000114.7K263 R269K263-E265 PolarHBondContact O-N 3.17Å; E265-R269 VanDerWaalsContact CB-NE 3.3Å; E265-R269 VanDerWaalsContact O-CB 3.23Å; E265-R269 WeakPolarHBondContact O-CB 3.38Å; E265-R269 WeakPolarHBondContact O-CD 3.4Å; E265-R269 WeakPolarHBondContact O-CG 3.43Å; E265-R269 PolarHBondContact O-N 3.29Å; E265-R269 PolarHBondContact O-NE 3.34Å; E265-R269 IonicContact OE2-CZ 3.1Å; E265-R269 IonicContact OE2-NE 3.66Å; E265-R269 IonicContact OE2-NH2 2.66Å; E265-R269 PolarHBondContact OE2-NH2 2.93Å
266T58.8Low69.9Low56 Ų5681.2 Ų81.234%0.34442%0.424SS..THydrogen-bonded Turntrans-75.7-31.3-167.350.10000115.1K263 R269K263-T266 HydrophobicContact CB-CG2 4Å; K263-T266 WeakPolarHBondContact CB-OG1 3.22Å; K263-T266 HydrophobicContact CD-CG2 4.07Å; K263-T266 HydrophobicContact CG-CG2 4.23Å; K263-T266 PolarHBondContact O-N 3.46Å; K263-T266 PolarHBondContact O-OG1 3.36Å; K263-T266 VanDerWaalsContact O-OG1 3.12Å; T266-R269 VanDerWaalsContact CG2-NH1 3.27Å
267T71.7Confident70.3Confident33 Ų3378.4 Ų78.420%0.20242%0.423CS..SBendtrans-79.3-26.7-165.757.10000114.3C253 S254 T257C253-T267 WeakPolarHBondContact CA-O 3.5Å; C253-T267 WeakPolarHBondContact CB-O 3.33Å; S254-T267 VanDerWaalsContact O-CB 3.27Å; S254-T267 WeakPolarHBondContact O-CB 3.34Å; S254-T267 PolarHBondContact O-OG1 2.95Å; T257-T267 HydrophobicContact CG2-CG2 4.49Å; T257-T267 VanDerWaalsContact OG1-CG2 3.29Å; T257-T267 WeakPolarHBondContact OG1-CG2 3.21Å
268L83.1Confident71.2Confident12 Ų1278 Ų786%0.06342%0.42CS..SBendtrans-114.811.3174.4-67.2173.8000112.7R86 L87 C253 F270 V271 K272R86-L268 HydrophobicContact CB-CD1 4Å; R86-L268 HydrophobicContact CG-CD1 3.52Å; L87-L268 HydrophobicContact CD2-CB 4.47Å; L87-L268 HydrophobicContact CD2-CD1 4.34Å; L87-L268 HydrophobicContact CG-CD1 4.38Å; C253-L268 HydrophobicContact CB-CD2 3.99Å; L268-F270 VanDerWaalsContact C-N 3.31Å; L268-F270 PolarHBondContact O-N 3.04Å; L268-V271 HydrophobicContact CD2-CB 4.36Å; L268-V271 HydrophobicContact CD2-CG2 3.93Å; L268-V271 PolarHBondContact O-N 3.47Å; L268-V271 VanDerWaalsContact O-N 3.14Å; L268-K272 PolarHBondContact O-N 2.93Å
269R84.2Confident72.2Confident124 Ų12477.4 Ų77.447%0.46841%0.41SS..Hα-helixtrans-54.6-47.4179-119169.9-140.7-177.7-2.6111.4E265 T266 V271 K272 Q273E265-R269 VanDerWaalsContact CB-NE 3.3Å; E265-R269 VanDerWaalsContact O-CB 3.23Å; E265-R269 WeakPolarHBondContact O-CB 3.38Å; E265-R269 WeakPolarHBondContact O-CD 3.4Å; E265-R269 WeakPolarHBondContact O-CG 3.43Å; E265-R269 PolarHBondContact O-N 3.29Å; E265-R269 PolarHBondContact O-NE 3.34Å; E265-R269 IonicContact OE2-CZ 3.1Å; E265-R269 IonicContact OE2-NE 3.66Å; E265-R269 IonicContact OE2-NH2 2.66Å; E265-R269 PolarHBondContact OE2-NH2 2.93Å; T266-R269 VanDerWaalsContact CG2-NH1 3.27Å; R269-V271 PolarHBondContact O-N 3.14Å; R269-K272 PolarHBondContact O-N 2.94Å; R269-Q273 WeakPolarHBondContact O-CB 3.47Å; R269-Q273 PolarHBondContact O-N 2.83Å
270F87.2Confident73.3Confident90 Ų9077.9 Ų77.940%0.39540%0.402SS..Hα-helixtrans-63.1-42.3178.1-170.6-82.6000111.9L178 C251 L268 K272 Q273 W274L178-F270 HydrophobicContact CD1-CD1 4.32Å; L178-F270 HydrophobicContact CD1-CE1 3.75Å; C251-F270 HydrophobicContact CB-CB 4.36Å; C251-F270 HydrophobicContact CB-CD1 3.19Å; C251-F270 HydrophobicContact CB-CE1 3.5Å; C251-F270 HydrophobicContact CB-CG 3.81Å; C251-F270 HydrophobicContact CB-CZ 4.32Å; L268-F270 VanDerWaalsContact C-N 3.31Å; L268-F270 PolarHBondContact O-N 3.04Å; F270-K272 VanDerWaalsContact C-N 3.34Å; F270-K272 PolarHBondContact O-N 3.42Å; F270-Q273 PolarHBondContact O-N 3.05Å; F270-W274 HydrophobicContact CD1-CB 4.46Å; F270-W274 HydrophobicContact CE1-CB 4.32Å; F270-W274 VanDerWaalsContact O-CB 3.3Å; F270-W274 WeakPolarHBondContact O-CB 3Å; F270-W274 PolarHBondContact O-N 3.32Å
271V91.6Very high74.6Confident5 Ų575 Ų753%0.0338%0.38CS..Hα-helixtrans-62.2-43.3178-178.20000110.6L87 I141 L178 C253 L268 R269 W274 L275L87-V271 HydrophobicContact CD1-CG1 4.21Å; I141-V271 HydrophobicContact CD1-CG1 3.93Å; L178-V271 HydrophobicContact CD2-CG1 4.4Å; L178-V271 HydrophobicContact CD2-CG2 4.27Å; C253-V271 HydrophobicContact CB-CG2 4.38Å; L268-V271 HydrophobicContact CD2-CB 4.36Å; L268-V271 HydrophobicContact CD2-CG2 3.93Å; L268-V271 PolarHBondContact O-N 3.47Å; L268-V271 VanDerWaalsContact O-N 3.14Å; R269-V271 PolarHBondContact O-N 3.14Å; V271-W274 PolarHBondContact O-N 3.45Å; V271-L275 HydrophobicContact CG1-CD1 4.14Å; V271-L275 WeakPolarHBondContact O-CB 3.12Å; V271-L275 VanDerWaalsContact O-CG 3.24Å; V271-L275 WeakPolarHBondContact O-CG 3.27Å; V271-L275 PolarHBondContact O-N 2.98Å
272K89.6Confident76.2Confident90 Ų9073.9 Ų73.939%0.39137%0.37SS..Hα-helixtrans-63.3-43.4175.2-71.6-176177-175.70112.3L87 L268 R269 F270 L275 S276L87-K272 HydrophobicContact CD2-CG 3.76Å; L268-K272 PolarHBondContact O-N 2.93Å; R269-K272 PolarHBondContact O-N 2.94Å; F270-K272 VanDerWaalsContact C-N 3.34Å; F270-K272 PolarHBondContact O-N 3.42Å; K272-L275 PolarHBondContact O-N 3.41Å; K272-S276 PolarHBondContact O-N 3.13Å
273Q90.2Very high78.2Confident133 Ų13367.3 Ų67.362%0.62133%0.334SS*.Hα-helixtrans-64.4-42177.4-175.6178.66.200111.4R269 F270 S276 A277R269-Q273 WeakPolarHBondContact O-CB 3.47Å; R269-Q273 PolarHBondContact O-N 2.83Å; F270-Q273 PolarHBondContact O-N 3.05Å; Q273-S276 WeakPolarHBondContact CA-OG 3.28Å; Q273-S276 PolarHBondContact O-N 3.33Å; Q273-S276 PolarHBondContact O-OG 2.62Å; Q273-A277 PolarHBondContact O-N 3.24Å; Q273-A277 VanDerWaalsContact O-N 3.16Å
274W93.6Very high80.3Confident14 Ų1462.8 Ų62.85%0.05332%0.317CS..Hα-helixtrans-63.3-45.8175.8-173.890.9000111V70 I141 K176 L178 D249 F270 V271 S276 A277 V278V70-W274 HydrophobicContact CG1-CZ3 4.22Å; I141-W274 HydrophobicContact CD1-CE3 4.37Å; I141-W274 HydrophobicContact CD1-CZ3 4.16Å; I141-W274 HydrophobicContact CG1-CE3 4.14Å; I141-W274 HydrophobicContact CG1-CH2 4.32Å; I141-W274 HydrophobicContact CG1-CZ3 3.62Å; K176-W274 HydrophobicContact CB-CH2 4.16Å; K176-W274 HydrophobicContact CB-CZ2 3.44Å; K176-W274 VanDerWaalsContact CB-CZ2 3.44Å; K176-W274 WeakPolarHBondContact O-CH2 3.37Å; L178-W274 HydrophobicContact CB-CD2 3.8Å; L178-W274 HydrophobicContact CB-CE3 4.06Å; L178-W274 HydrophobicContact CB-CG 4.37Å; L178-W274 HydrophobicContact CB-CH2 3.94Å; L178-W274 HydrophobicContact CB-CZ2 3.66Å; L178-W274 HydrophobicContact CB-CZ3 4.13Å; L178-W274 HydrophobicContact CD1-CG 4.35Å; L178-W274 HydrophobicContact CD2-CB 4.12Å; L178-W274 HydrophobicContact CD2-CD2 3.88Å; L178-W274 HydrophobicContact CD2-CE3 4Å; L178-W274 HydrophobicContact CD2-CG 3.92Å; L178-W274 HydrophobicContact CG-CD2 4.32Å; L178-W274 HydrophobicContact CG-CG 4.46Å; D249-W274 VanDerWaalsContact OD2-CD1 3.32Å; D249-W274 PolarHBondContact OD2-NE1 3.12Å; F270-W274 HydrophobicContact CD1-CB 4.46Å; F270-W274 HydrophobicContact CE1-CB 4.32Å; F270-W274 VanDerWaalsContact O-CB 3.3Å; F270-W274 WeakPolarHBondContact O-CB 3Å; F270-W274 PolarHBondContact O-N 3.32Å; V271-W274 PolarHBondContact O-N 3.45Å; W274-S276 VanDerWaalsContact C-N 3.27Å; W274-S276 PolarHBondContact O-N 3.27Å; W274-A277 CarbonylContact O-C 3.59Å; W274-A277 WeakPolarHBondContact O-CA 3.49Å; W274-A277 PolarHBondContact O-N 2.8Å; W274-V278 HydrophobicContact CD2-CG2 3.93Å; W274-V278 HydrophobicContact CE3-CG2 3.64Å; W274-V278 HydrophobicContact CH2-CG2 3.56Å; W274-V278 HydrophobicContact CZ2-CG2 3.83Å; W274-V278 HydrophobicContact CZ3-CG2 3.44Å; W274-V278 VanDerWaalsContact CZ3-CG2 3.44Å; W274-V278 WeakPolarHBondContact O-CG2 3.45Å; W274-V278 PolarHBondContact O-N 2.76Å
275L92.3Very high82.6Confident1 Ų159.1 Ų59.11%0.00530%0.301CS..Hα-helixtrans-59.1-34.6174.9-75.1168.5000113V70 L87 L106 L108 V113 I141 V271 K272 A277V70-L275 HydrophobicContact CB-CD2 4.08Å; V70-L275 HydrophobicContact CG1-CD2 3.81Å; V70-L275 HydrophobicContact CG2-CD2 3.98Å; L87-L275 HydrophobicContact CD1-CD1 4.17Å; L87-L275 HydrophobicContact CD2-CD1 4.5Å; L106-L275 HydrophobicContact CD1-CD1 4.06Å; L108-L275 HydrophobicContact CD1-CB 3.36Å; L108-L275 HydrophobicContact CD1-CD1 4.46Å; V113-L275 HydrophobicContact CG1-CD2 4.14Å; I141-L275 HydrophobicContact CD1-CD1 4.39Å; I141-L275 HydrophobicContact CD1-CD2 3.77Å; I141-L275 HydrophobicContact CD1-CG 4.11Å; V271-L275 HydrophobicContact CG1-CD1 4.14Å; V271-L275 WeakPolarHBondContact O-CB 3.12Å; V271-L275 VanDerWaalsContact O-CG 3.24Å; V271-L275 WeakPolarHBondContact O-CG 3.27Å; V271-L275 PolarHBondContact O-N 2.98Å; K272-L275 PolarHBondContact O-N 3.41Å; L275-A277 VanDerWaalsContact C-N 3.29Å
276S88.7Confident84.9Confident63 Ų6353.9 Ų53.944%0.44128%0.279SS..Hα-helixtrans-72.7-21.4173.962.80000113.8K272 Q273 W274K272-S276 PolarHBondContact O-N 3.13Å; Q273-S276 WeakPolarHBondContact CA-OG 3.28Å; Q273-S276 PolarHBondContact O-N 3.33Å; Q273-S276 PolarHBondContact O-OG 2.62Å; W274-S276 VanDerWaalsContact C-N 3.27Å; W274-S276 PolarHBondContact O-N 3.27Å
277A88Confident87.1Confident59 Ų5953.8 Ų53.849%0.48827%0.274SS..Hα-helixtrans-95.6-15.1-177.800000113.6K176 Q273 W274 L275K176-A277 PolarHBondContact NZ-O 3.42Å; Q273-A277 PolarHBondContact O-N 3.24Å; Q273-A277 VanDerWaalsContact O-N 3.16Å; W274-A277 CarbonylContact O-C 3.59Å; W274-A277 WeakPolarHBondContact O-CA 3.49Å; W274-A277 PolarHBondContact O-N 2.8Å; L275-A277 VanDerWaalsContact C-N 3.29Å
278V84.5Confident88.5Confident21 Ų2155.6 Ų55.613%0.12728%0.28CS..  trans-67.50164.9173.50000108.3K68 V70 S138 K176 W274K68-V278 HydrophobicContact CD-CG1 4.47Å; K68-V278 WeakPolarHBondContact CD-OXT 2.89Å; K68-V278 WeakPolarHBondContact CE-OXT 3.49Å; K68-V278 PolarHBondContact NZ-O 3.44Å; K68-V278 PolarHBondContact NZ-OXT 2.92Å; V70-V278 HydrophobicContact CG2-CG1 4.11Å; S138-V278 VanDerWaalsContact CB-CG1 3.46Å; S138-V278 WeakPolarHBondContact O-CG1 3.47Å; K176-V278 HydrophobicContact CB-CG2 4.4Å; K176-V278 HydrophobicContact CD-CG2 4.28Å; W274-V278 HydrophobicContact CD2-CG2 3.93Å; W274-V278 HydrophobicContact CE3-CG2 3.64Å; W274-V278 HydrophobicContact CH2-CG2 3.56Å; W274-V278 HydrophobicContact CZ2-CG2 3.83Å; W274-V278 HydrophobicContact CZ3-CG2 3.44Å; W274-V278 VanDerWaalsContact CZ3-CG2 3.44Å; W274-V278 WeakPolarHBondContact O-CG2 3.45Å; W274-V278 PolarHBondContact O-N 2.76Å

Retrieved 278 of 278 residues in 288.4 ms (Link to these results)