G4LWL6_SCHMA Loading...

L-2-hydroxyglutarate dehydrogenase, mitochondrial

AlphaFold DB , UniProt , Accession G4LWL6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 451 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	37.9	Very low	35	Very low	232 Å²	232	164.5 Å²	164.5	100%	1.143	83%	0.834	S	S	*	*				0	95.9	0	-151.4	175.6	-169.5	0	0	107
2	F	33.1	Very low	34.7	Very low	216 Å²	216	164.7 Å²	164.7	95%	0.947	84%	0.837	S	S	*	*			trans	-75.2	123	-178.2	-80.6	-93.3	0	0	0	109.5
3	T	34.2	Very low	34.4	Very low	118 Å²	118	163.6 Å²	163.6	72%	0.724	83%	0.832	S	S	*	*			trans	-146	108.5	168.7	8.1	0	0	0	0	111.8
4	K	34.2	Very low	34.2	Very low	194 Å²	194	159.4 Å²	159.4	84%	0.843	83%	0.825	S	S	*	*			trans	62.2	88.1	144.9	-65.3	179.9	177.4	-179.6	0	118.5
5	L	37	Very low	34	Very low	181 Å²	181	161.5 Å²	161.5	95%	0.948	83%	0.829	S	S	*	*			trans	-70.7	137.4	149.9	-93.6	99	0	0	0	110.6
6	K	37.2	Very low	34	Very low	195 Å²	195	156.4 Å²	156.4	85%	0.848	82%	0.819	S	S	*	*			trans	-79.2	139.8	-173.9	-74.1	176.2	172.9	177.6	0	113.3
7	S	35.9	Very low	34	Very low	103 Å²	103	159.1 Å²	159.1	72%	0.72	82%	0.823	S	S	*	*			trans	42.4	106.6	148.3	67.9	0	0	0	0	119.4	N9	S7-N9 PolarHBondContact O-N 2.97Å
8	L	34.4	Very low	33.8	Very low	145 Å²	145	163.6 Å²	163.6	76%	0.759	83%	0.827	S	S	*	*			trans	-66.8	113.7	159.8	-71.2	101.8	0	0	0	110.8	H10	L8-H10 VanDerWaalsContact CD2-CD2 3.5Å; L8-H10 WeakPolarHBondContact CD2-CD2 3.33Å; L8-H10 PolarHBondContact O-N 3.46Å
9	N	31.4	Very low	33.6	Very low	151 Å²	151	167.2 Å²	167.2	81%	0.807	83%	0.83	S	S	*	*			trans	-81.2	92.8	153.7	-83.6	-27.2	0	0	0	107.8	S7 V11	S7-N9 PolarHBondContact O-N 2.97Å; N9-V11 PolarHBondContact O-N 2.78Å
10	H	35.7	Very low	33.7	Very low	162 Å²	162	163.5 Å²	163.5	75%	0.75	82%	0.821	S	S	*	*			trans	-86.1	99.1	162.5	-95.5	-74.3	0	0	0	109.2	L8 L12	L8-H10 VanDerWaalsContact CD2-CD2 3.5Å; L8-H10 WeakPolarHBondContact CD2-CD2 3.33Å; L8-H10 PolarHBondContact O-N 3.46Å; H10-L12 PolarHBondContact O-N 2.66Å
11	V	33.9	Very low	33.9	Very low	113 Å²	113	160.8 Å²	160.8	69%	0.685	82%	0.818	S	S	*	*			trans	-48.8	115.5	165	173.8	0	0	0	0	109.7	N9 I13	N9-V11 PolarHBondContact O-N 2.78Å; V11-I13 HydrophobicContact CG1-CG1 4.13Å; V11-I13 PolarHBondContact O-N 2.9Å; V11-I13 VanDerWaalsContact O-N 3.09Å
12	L	31.8	Very low	34.1	Very low	166 Å²	166	155.2 Å²	155.2	87%	0.869	80%	0.796	S	S	*	*			trans	-63.4	99.7	159.3	-84.5	153	0	0	0	107.9	H10 S14	H10-L12 PolarHBondContact O-N 2.66Å; L12-S14 VanDerWaalsContact C-N 3.26Å; L12-S14 PolarHBondContact O-N 3.27Å
13	I	30.6	Very low	34.7	Very low	151 Å²	151	153.6 Å²	153.6	77%	0.774	79%	0.789	S	S	*	*			trans	-74.3	86.7	167	-61	171.7	0	0	0	106.3	V11	V11-I13 HydrophobicContact CG1-CG1 4.13Å; V11-I13 PolarHBondContact O-N 2.9Å; V11-I13 VanDerWaalsContact O-N 3.09Å
14	S	31.5	Very low	36	Very low	104 Å²	104	150.9 Å²	150.9	73%	0.727	78%	0.778	S	S	*	*			trans	-76.1	124.4	164.9	61.7	0	0	0	0	108.6	L12 A16	L12-S14 VanDerWaalsContact C-N 3.26Å; L12-S14 PolarHBondContact O-N 3.27Å; S14-A16 VanDerWaalsContact C-N 3.3Å; S14-A16 PolarHBondContact O-N 2.91Å
15	Q	31	Very low	38.5	Very low	191 Å²	191	145.4 Å²	145.4	89%	0.893	76%	0.756	S	S	*	*			trans	-62.4	87.1	174.2	-67.7	169.9	-18.7	0	0	109.9
16	A	34.3	Very low	41.3	Very low	80 Å²	80	139.1 Å²	139.1	66%	0.661	73%	0.725	S	S	*	*			trans	-110.4	93.1	153.4	0	0	0	0	0	105.6	S14 R18	S14-A16 VanDerWaalsContact C-N 3.3Å; S14-A16 PolarHBondContact O-N 2.91Å; A16-R18 PolarHBondContact O-N 2.78Å
17	F	33.8	Very low	44.2	Very low	202 Å²	202	130.1 Å²	130.1	89%	0.886	69%	0.686	S	S	*	*			trans	-42.8	101.5	155.5	-103.9	-105	0	0	0	106.4	R19	F17-R19 PolarHBondContact O-N 3.21Å
18	R	29.8	Very low	47.1	Very low	241 Å²	241	125.9 Å²	125.9	91%	0.909	66%	0.655	S	S	*	*			trans	-62.6	91.3	161.4	-77.2	-177.1	177.6	-163	-0.4	103.8	A16 S20	A16-R18 PolarHBondContact O-N 2.78Å; R18-S20 PolarHBondContact O-N 3.18Å
19	R	31.5	Very low	50.1	Low	232 Å²	232	119 Å²	119	88%	0.875	62%	0.619	S	S	*	*			trans	-51.3	98.3	148.2	-82.8	-178.9	170.4	177.9	-3.6	103.4	F17 S21	F17-R19 PolarHBondContact O-N 3.21Å; R19-S21 VanDerWaalsContact C-N 3.3Å; R19-S21 PolarHBondContact O-N 2.93Å
20	S	34.5	Very low	53.3	Low	93 Å²	93	111.8 Å²	111.8	65%	0.65	58%	0.58	S	S	*	*			trans	-44.4	110.7	157.2	174.7	0	0	0	0	104.1	R18 T22	R18-S20 PolarHBondContact O-N 3.18Å; S20-T22 PolarHBondContact O-N 3.25Å
21	S	37.1	Very low	56.3	Low	107 Å²	107	104 Å²	104	75%	0.748	55%	0.545	S	S	*	.			trans	-63.4	89.4	168.2	43.3	0	0	0	0	104.6	R19 K23	R19-S21 VanDerWaalsContact C-N 3.3Å; R19-S21 PolarHBondContact O-N 2.93Å; S21-K23 PolarHBondContact O-N 3.03Å
22	T	43.2	Very low	59.4	Low	114 Å²	114	99 Å²	99	70%	0.699	51%	0.514	S	S	*	.			trans	-58.9	89.5	163.2	43.2	0	0	0	0	104.8	S20 A24	S20-T22 PolarHBondContact O-N 3.25Å; T22-A24 VanDerWaalsContact C-N 3.34Å; T22-A24 PolarHBondContact O-N 2.67Å
23	K	45.6	Very low	62.6	Low	183 Å²	183	91.5 Å²	91.5	80%	0.796	48%	0.477	S	S	*	.			trans	-56.6	105.7	172.1	-156.5	179.5	-174.5	-175.1	0	104.2	S21 H25	S21-K23 PolarHBondContact O-N 3.03Å; K23-H25 PolarHBondContact O-CD2 2.88Å; K23-H25 PolarHBondContact O-N 3.12Å
24	A	60.8	Low	65.8	Low	60 Å²	60	84.3 Å²	84.3	50%	0.496	44%	0.44	S	S	.	.			trans	-57.8	118.6	-175	0	0	0	0	0	107.9	T22 T26	T22-A24 VanDerWaalsContact C-N 3.34Å; T22-A24 PolarHBondContact O-N 2.67Å; A24-T26 VanDerWaalsContact C-N 3.32Å; A24-T26 HydrophobicContact CB-CG2 4.29Å; A24-T26 PolarHBondContact O-N 3.34Å; A24-T26 PolarHBondContact O-OG1 3.27Å
25	H	87	Confident	69	Low	80 Å²	80	80.3 Å²	80.3	37%	0.37	42%	0.415	S	S	.	.			trans	-74.8	90.8	178.7	-68.6	-90.6	0	0	0	107.9	K23 F27 Y192 I226 V229 T230	K23-H25 PolarHBondContact O-CD2 2.88Å; K23-H25 PolarHBondContact O-N 3.12Å; H25-F27 HydrophobicContact CB-CE2 3.88Å; H25-F27 HydrophobicContact CB-CZ 4.44Å; H25-Y192 PolarHBondContact ND1-OH 2.98Å; H25-I226 HydrophobicContact CB-CD1 3.64Å; H25-I226 WeakPolarHBondContact CD2-CD1 2.84Å; H25-V229 HydrophobicContact CB-CB 4.5Å; H25-V229 HydrophobicContact CB-CG1 4Å; H25-V229 WeakPolarHBondContact O-CA 3.3Å; H25-V229 WeakPolarHBondContact O-CB 3.35Å; H25-T230 PolarHBondContact O-N 3.47Å
26	T	95.8	Very high	72.2	Confident	48 Å²	48	71.5 Å²	71.5	29%	0.294	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	134.3	-174.1	38.2	0	0	0	0	110.4	A24 Y209 T230	A24-T26 VanDerWaalsContact C-N 3.32Å; A24-T26 HydrophobicContact CB-CG2 4.29Å; A24-T26 PolarHBondContact O-N 3.34Å; A24-T26 PolarHBondContact O-OG1 3.27Å; T26-Y209 HydrophobicContact CG2-CD1 4.39Å; T26-Y209 HydrophobicContact CG2-CD2 3.78Å; T26-Y209 HydrophobicContact CG2-CE2 4.21Å; T26-Y209 HydrophobicContact CG2-CG 3.87Å; T26-T230 CarbonylContact C-O 3.18Å; T26-T230 VanDerWaalsContact CA-O 3.3Å; T26-T230 WeakPolarHBondContact CA-O 3.34Å; T26-T230 WeakPolarHBondContact CG2-OG1 3.31Å
27	F	97.5	Very high	75.3	Confident	7 Å²	7	68.5 Å²	68.5	3%	0.031	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	146.6	-178.7	-60.9	-79.9	0	0	0	111.3	H25 Q53 A55 I190 Y192 Y209 V229 T230 C231 K232	H25-F27 HydrophobicContact CB-CE2 3.88Å; H25-F27 HydrophobicContact CB-CZ 4.44Å; F27-Q53 HydrophobicContact CD1-CB 4.12Å; F27-A55 HydrophobicContact CB-CB 4.34Å; F27-A55 HydrophobicContact CD1-CB 3.71Å; F27-A55 HydrophobicContact CD2-CB 3.49Å; F27-A55 VanDerWaalsContact CD2-CB 3.49Å; F27-A55 HydrophobicContact CE1-CB 3.82Å; F27-A55 HydrophobicContact CE2-CB 3.58Å; F27-A55 HydrophobicContact CG-CB 3.55Å; F27-A55 HydrophobicContact CZ-CB 3.76Å; F27-I190 HydrophobicContact CE1-CB 4.31Å; F27-I190 HydrophobicContact CE1-CD1 3.92Å; F27-I190 HydrophobicContact CE1-CG1 4.31Å; F27-I190 HydrophobicContact CZ-CD1 4.17Å; F27-Y192 AromaticContact CE2-CE2 3.77Å; F27-Y192 HydrophobicContact CE2-CE2 3.77Å; F27-Y192 AromaticContact CZ-CE2 3.62Å; F27-Y192 HydrophobicContact CZ-CE2 3.62Å; F27-Y209 VanDerWaalsContact O-CD1 3.26Å; F27-Y209 WeakPolarHBondContact O-CD1 3.44Å; F27-Y209 WeakPolarHBondContact O-CE1 3.49Å; F27-V229 HydrophobicContact CD2-CB 4.25Å; F27-V229 HydrophobicContact CD2-CG1 4.43Å; F27-V229 HydrophobicContact CE2-CB 4.25Å; F27-V229 HydrophobicContact CE2-CG1 3.96Å; F27-T230 PolarHBondContact N-O 3.36Å; F27-C231 HydrophobicContact CB-CB 4.35Å; F27-C231 CarbonylContact O-C 3.23Å; F27-C231 WeakPolarHBondContact O-CA 3.17Å; F27-C231 WeakPolarHBondContact O-CB 3.42Å; F27-K232 PolarHBondContact O-N 3.29Å
28	D	97.3	Very high	78.4	Confident	13 Å²	13	58.9 Å²	58.9	7%	0.07	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	-45.8	172	-62.2	-72.8	0	0	0	110.3	F52 Q53 K232 Y233	D28-F52 HydrophobicContact CB-CB 4.01Å; D28-F52 HydrophobicContact CB-CD1 3.26Å; D28-F52 HydrophobicContact CB-CE1 3.87Å; D28-F52 HydrophobicContact CB-CG 3.87Å; D28-F52 VanDerWaalsContact OD2-CA 3.3Å; D28-F52 WeakPolarHBondContact OD2-CA 3.46Å; D28-Q53 PolarHBondContact N-O 2.79Å; D28-Q53 PolarHBondContact OD2-N 2.9Å; D28-K232 HydrophobicContact CB-CD 4.37Å; D28-K232 VanDerWaalsContact O-CB 3.27Å; D28-K232 WeakPolarHBondContact O-CB 3.49Å; D28-K232 PolarHBondContact O-N 3.03Å; D28-K232 WeakPolarHBondContact OD1-CD 3.35Å; D28-K232 WeakPolarHBondContact OD1-CE 3.48Å; D28-K232 IonicContact OD1-NZ 2.8Å; D28-K232 PolarHBondContact OD1-NZ 2.87Å; D28-Y233 PolarHBondContact O-N 3.37Å; D28-Y233 VanDerWaalsContact O-N 3.08Å
29	I	98.3	Very high	81.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	126.5	176.8	-51.5	-170.8	0	0	0	110.7	I31 F52 Q53 F54 A55 Y233 I235 L442	I29-I31 HydrophobicContact CG2-CD1 4.25Å; I29-F52 HydrophobicContact CD1-CD1 4.46Å; I29-F52 HydrophobicContact CG1-CD1 4.3Å; I29-Q53 PolarHBondContact N-O 2.9Å; I29-F54 HydrophobicContact CB-CD1 3.8Å; I29-F54 HydrophobicContact CB-CE1 3.8Å; I29-F54 HydrophobicContact CD1-CE1 4.04Å; I29-F54 HydrophobicContact CG1-CE1 4.04Å; I29-F54 WeakPolarHBondContact O-CA 3.49Å; I29-A55 PolarHBondContact O-N 3Å; I29-A55 VanDerWaalsContact O-N 3.17Å; I29-Y233 WeakPolarHBondContact CA-O 3.09Å; I29-Y233 HydrophobicContact CG1-CD2 4.32Å; I29-I235 HydrophobicContact CG2-CD1 4.02Å; I29-I235 HydrophobicContact CG2-CG1 4.13Å; I29-L442 HydrophobicContact CD1-CD1 3.77Å
30	A	98.4	Very high	84.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.8	168.3	0	0	0	0	0	110.6	A55 I213 C231 Y233 V234 I235	A30-A55 CarbonylContact C-O 3.25Å; A30-A55 WeakPolarHBondContact CA-O 3.38Å; A30-I213 HydrophobicContact CB-CD1 3.86Å; A30-C231 HydrophobicContact CB-CB 4.11Å; A30-Y233 PolarHBondContact N-O 3.07Å; A30-V234 HydrophobicContact CB-CG2 4.48Å; A30-V234 CarbonylContact O-C 3.46Å; A30-V234 VanDerWaalsContact O-CA 3.29Å; A30-V234 WeakPolarHBondContact O-CA 3.41Å; A30-I235 PolarHBondContact O-N 3.18Å
31	I	98.8	Very high	88	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125	173.5	-59.1	86.1	0	0	0	108.3	I29 A42 F54 A55 L56 L57 I235	I29-I31 HydrophobicContact CG2-CD1 4.25Å; I31-A42 HydrophobicContact CB-CB 4.46Å; I31-A42 HydrophobicContact CD1-CB 3.95Å; I31-A42 HydrophobicContact CG1-CB 4.02Å; I31-F54 HydrophobicContact CD1-CD1 4.09Å; I31-A55 WeakPolarHBondContact CD1-O 3.3Å; I31-A55 PolarHBondContact N-O 3.38Å; I31-L56 HydrophobicContact CB-CB 4.5Å; I31-L56 HydrophobicContact CB-CD1 4.37Å; I31-L56 HydrophobicContact CB-CG 4.41Å; I31-L56 HydrophobicContact CG2-CD1 4.12Å; I31-L56 HydrophobicContact CG2-CG 4.48Å; I31-L56 CarbonylContact O-C 3.46Å; I31-L56 VanDerWaalsContact O-CA 3.26Å; I31-L56 WeakPolarHBondContact O-CA 3.41Å; I31-L57 PolarHBondContact O-N 3.24Å; I31-I235 CarbonylContact C-O 3.4Å; I31-I235 VanDerWaalsContact CA-O 3.26Å; I31-I235 WeakPolarHBondContact CA-O 3.07Å
32	V	98.6	Very high	90.9	Very high	7 Å²	7	27 Å²	27	4%	0.042	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	117.3	178.1	-170.7	0	0	0	0	109.8	L57 V197 V234 I235 T236 C237 T238	V32-L57 HydrophobicContact CG2-CD1 4.37Å; V32-V197 HydrophobicContact CG1-CB 4.36Å; V32-V197 HydrophobicContact CG1-CG2 3.5Å; V32-V197 HydrophobicContact CG2-CG2 4.19Å; V32-V234 HydrophobicContact CG2-CG1 3.77Å; V32-I235 PolarHBondContact N-O 3.29Å; V32-T236 HydrophobicContact CB-CG2 4.12Å; V32-T236 HydrophobicContact CG2-CG2 4.14Å; V32-C237 CarbonylContact O-C 3.55Å; V32-C237 PolarHBondContact O-N 3.44Å; V32-T238 HydrophobicContact CB-CG2 4.04Å; V32-T238 HydrophobicContact CG1-CG2 3.57Å; V32-T238 VanDerWaalsContact O-CG2 3.3Å; V32-T238 WeakPolarHBondContact O-CG2 3.21Å
33	G	98.6	Very high	93.5	Very high	9 Å²	9	22.7 Å²	22.7	9%	0.093	13%	0.126	C	C	.	.			trans	111.6	112.3	179.7	0	0	0	0	0	113	G35 G38 L57	G33-G35 VanDerWaalsContact C-N 3.25Å; G33-G35 PolarHBondContact O-N 3.28Å; G33-G38 WeakPolarHBondContact O-CA 3.43Å; G33-L57 PolarHBondContact N-O 3.36Å
34	G	98.6	Very high	96	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.093	C	C	.	.			trans	-89.1	32.7	176.3	0	0	0	0	0	114	L39 E58 G64	G34-L39 WeakPolarHBondContact O-CD1 3.5Å; G34-E58 WeakPolarHBondContact CA-OE2 3.35Å; G34-E58 PolarHBondContact N-OE2 3.32Å; G34-G64 PolarHBondContact O-N 3Å; G34-G64 VanDerWaalsContact O-N 3.13Å
35	G	98.6	Very high	97.8	Very high	19 Å²	19	12.3 Å²	12.3	20%	0.196	7%	0.07	C	C	.	.	S	Bend	trans	-85.6	174.8	166.4	0	0	0	0	0	112	G33 V37 G38 L39	G33-G35 VanDerWaalsContact C-N 3.25Å; G33-G35 PolarHBondContact O-N 3.28Å; G35-V37 VanDerWaalsContact C-N 3.32Å; G35-V37 PolarHBondContact O-N 3.33Å; G35-G38 PolarHBondContact O-N 3.45Å; G35-G38 VanDerWaalsContact O-N 3.12Å; G35-L39 PolarHBondContact O-N 2.96Å
36	I	98.8	Very high	98.2	Very high	7 Å²	7	8.7 Å²	8.7	4%	0.036	5%	0.053	C	C	.	.	H	α-helix	trans	-56.9	-40.1	-173.9	-162.4	168.7	0	0	0	113.7	A40 S68 W173 V176 T177 Y180 A422	I36-A40 WeakPolarHBondContact O-CB 3.46Å; I36-A40 PolarHBondContact O-N 3.49Å; I36-S68 WeakPolarHBondContact CB-OG 3.5Å; I36-S68 WeakPolarHBondContact CG2-OG 3.23Å; I36-S68 PolarHBondContact N-OG 3.24Å; I36-W173 HydrophobicContact CD1-CB 4.49Å; I36-W173 HydrophobicContact CD1-CD2 4.24Å; I36-W173 HydrophobicContact CD1-CE3 3.41Å; I36-W173 VanDerWaalsContact CD1-CE3 3.41Å; I36-W173 HydrophobicContact CD1-CZ3 4.03Å; I36-V176 HydrophobicContact CD1-CB 4.44Å; I36-V176 HydrophobicContact CD1-CG1 4.08Å; I36-T177 WeakPolarHBondContact CB-OG1 3.45Å; I36-Y180 HydrophobicContact CD1-CE2 4.16Å; I36-Y180 HydrophobicContact CG1-CD2 3.99Å; I36-Y180 HydrophobicContact CG1-CE2 3.66Å; I36-A422 HydrophobicContact CD1-CB 4.13Å; I36-A422 HydrophobicContact CG2-CB 4.39Å
37	V	98.7	Very high	98.2	Very high	16 Å²	16	7.4 Å²	7.4	10%	0.097	5%	0.045	C	C	.	.	H	α-helix	trans	-68.8	-43.7	178.3	175.9	0	0	0	0	111	G35 T41 C237 A417 A421 I428 L432	G35-V37 VanDerWaalsContact C-N 3.32Å; G35-V37 PolarHBondContact O-N 3.33Å; V37-T41 WeakPolarHBondContact O-CB 3.4Å; V37-T41 PolarHBondContact O-N 3.06Å; V37-T41 PolarHBondContact O-OG1 3.38Å; V37-C237 HydrophobicContact CG1-CB 4.31Å; V37-A417 HydrophobicContact CG2-CB 4.4Å; V37-A421 HydrophobicContact CG2-CB 4.16Å; V37-I428 HydrophobicContact CG1-CG2 3.84Å; V37-L432 HydrophobicContact CG1-CD1 4.12Å
38	G	98.8	Very high	98	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.01	5%	0.052	C	C	.	.	H	α-helix	trans	-63.2	-45	178.1	0	0	0	0	0	112.1	G33 G35 T41 A42 C237	G33-G38 WeakPolarHBondContact O-CA 3.43Å; G35-G38 PolarHBondContact O-N 3.45Å; G35-G38 VanDerWaalsContact O-N 3.12Å; G38-T41 PolarHBondContact O-N 2.76Å; G38-A42 WeakPolarHBondContact O-CB 3.42Å; G38-A42 PolarHBondContact O-N 3.06Å; G38-C237 VanDerWaalsContact CA-CB 3.47Å
39	L	98.9	Very high	98	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-71.5	-36.6	179	-77	161.2	0	0	0	113.3	G34 G35 T41 A42 R43 L56 L63 T177 A181 I191	G34-L39 WeakPolarHBondContact O-CD1 3.5Å; G35-L39 PolarHBondContact O-N 2.96Å; L39-T41 VanDerWaalsContact C-N 3.32Å; L39-A42 PolarHBondContact O-N 3.27Å; L39-R43 VanDerWaalsContact O-CB 3.28Å; L39-R43 WeakPolarHBondContact O-CB 3.4Å; L39-R43 PolarHBondContact O-N 3.36Å; L39-L56 HydrophobicContact CD2-CD1 3.59Å; L39-L56 HydrophobicContact CG-CD1 3.81Å; L39-L63 HydrophobicContact CD1-CB 4.46Å; L39-L63 HydrophobicContact CD1-CD1 4.24Å; L39-L63 HydrophobicContact CD1-CD2 4.37Å; L39-T177 HydrophobicContact CD1-CG2 3.33Å; L39-A181 HydrophobicContact CD1-CB 4.17Å; L39-A181 HydrophobicContact CD2-CB 3.72Å; L39-I191 HydrophobicContact CD2-CD1 4.15Å
40	A	98.8	Very high	97.7	Very high	2 Å²	2	10.4 Å²	10.4	2%	0.017	6%	0.059	C	C	.	.	H	α-helix	trans	-62.2	-42.2	171.5	0	0	0	0	0	111.4	I36 E44 Y180 S425	I36-A40 WeakPolarHBondContact O-CB 3.46Å; I36-A40 PolarHBondContact O-N 3.49Å; A40-E44 WeakPolarHBondContact O-CB 3.5Å; A40-E44 PolarHBondContact O-N 3.18Å; A40-Y180 HydrophobicContact CB-CD2 3.95Å; A40-Y180 HydrophobicContact CB-CE2 3.93Å; A40-S425 VanDerWaalsContact CB-O 3.29Å; A40-S425 WeakPolarHBondContact CB-O 3.4Å
41	T	98.8	Very high	97.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.4	-47.5	176.6	-53.8	0	0	0	0	111.7	V37 G38 L39 R43 E44 L45 I235 L432	V37-T41 WeakPolarHBondContact O-CB 3.4Å; V37-T41 PolarHBondContact O-N 3.06Å; V37-T41 PolarHBondContact O-OG1 3.38Å; G38-T41 PolarHBondContact O-N 2.76Å; L39-T41 VanDerWaalsContact C-N 3.32Å; T41-R43 VanDerWaalsContact C-N 3.33Å; T41-R43 PolarHBondContact O-N 3.15Å; T41-E44 PolarHBondContact O-N 3.11Å; T41-L45 HydrophobicContact CG2-CD1 3.88Å; T41-L45 HydrophobicContact CG2-CG 4.44Å; T41-L45 WeakPolarHBondContact O-CG 3.44Å; T41-L45 PolarHBondContact O-N 3.2Å; T41-I235 HydrophobicContact CG2-CD1 4.45Å; T41-I235 HydrophobicContact CG2-CG2 4.3Å; T41-L432 HydrophobicContact CG2-CB 3.76Å; T41-L432 HydrophobicContact CG2-CD1 4.12Å; T41-L432 WeakPolarHBondContact OG1-CD1 3.4Å
42	A	98.8	Very high	97.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.6	-43.4	179.2	0	0	0	0	0	111.6	I31 G38 L39 A46 L56 F184	I31-A42 HydrophobicContact CB-CB 4.46Å; I31-A42 HydrophobicContact CD1-CB 3.95Å; I31-A42 HydrophobicContact CG1-CB 4.02Å; G38-A42 WeakPolarHBondContact O-CB 3.42Å; G38-A42 PolarHBondContact O-N 3.06Å; L39-A42 PolarHBondContact O-N 3.27Å; A42-A46 WeakPolarHBondContact O-CB 3.32Å; A42-A46 PolarHBondContact O-N 3.32Å; A42-L56 HydrophobicContact CB-CD1 4.11Å; A42-F184 HydrophobicContact CB-CD1 4.35Å; A42-F184 HydrophobicContact CB-CD2 3.71Å; A42-F184 HydrophobicContact CB-CE1 4.36Å; A42-F184 HydrophobicContact CB-CE2 3.71Å; A42-F184 HydrophobicContact CB-CG 4.03Å; A42-F184 HydrophobicContact CB-CZ 4.04Å; A42-F184 WeakPolarHBondContact O-CD2 3.41Å
43	R	97.8	Very high	97.3	Very high	25 Å²	25	24.9 Å²	24.9	9%	0.094	12%	0.123	C	C	.	.	H	α-helix	trans	-60.1	-48	174.1	177.2	-173	176.6	-78	5.2	111.7	L39 T41 A46 L47 N183 F450	L39-R43 VanDerWaalsContact O-CB 3.28Å; L39-R43 WeakPolarHBondContact O-CB 3.4Å; L39-R43 PolarHBondContact O-N 3.36Å; T41-R43 VanDerWaalsContact C-N 3.33Å; T41-R43 PolarHBondContact O-N 3.15Å; R43-A46 PolarHBondContact O-N 3.14Å; R43-L47 PolarHBondContact O-N 2.97Å; R43-L47 VanDerWaalsContact O-N 3.14Å; R43-N183 HydrophobicContact CG-CB 4.08Å; R43-N183 PolarHBondContact NE-OD1 3.44Å; R43-F450 HydrophobicContact CG-CE2 3.61Å; R43-F450 HydrophobicContact CG-CZ 3.97Å
44	E	98	Very high	97.2	Very high	25 Å²	25	24.7 Å²	24.7	12%	0.117	12%	0.12	C	C	.	.	H	α-helix	trans	-63.9	-42.3	-178.7	-173.1	67.8	-174.6	0	0	112	A40 T41 L47 R48 C430 A433	A40-E44 WeakPolarHBondContact O-CB 3.5Å; A40-E44 PolarHBondContact O-N 3.18Å; T41-E44 PolarHBondContact O-N 3.11Å; E44-L47 WeakPolarHBondContact O-CB 3.45Å; E44-L47 PolarHBondContact O-N 3.07Å; E44-R48 WeakPolarHBondContact O-CG 3.37Å; E44-R48 PolarHBondContact O-N 3.32Å; E44-R48 IonicContact OE1-CZ 2.76Å; E44-R48 IonicContact OE1-NE 2.73Å; E44-R48 PolarHBondContact OE1-NE 3.1Å; E44-R48 IonicContact OE1-NH2 2.59Å; E44-R48 PolarHBondContact OE1-NH2 3.35Å; E44-C430 PolarHBondContact OE1-SG 2.76Å; E44-C430 VanDerWaalsContact OE1-SG 3.36Å; E44-A433 HydrophobicContact CB-CB 4.41Å; E44-A433 HydrophobicContact CG-CB 3.68Å
45	L	97.8	Very high	97.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64	-44.4	175.8	-71.4	167	0	0	0	112	T41 L47 R48 F49 F54 I235 A433 A436	T41-L45 HydrophobicContact CG2-CD1 3.88Å; T41-L45 HydrophobicContact CG2-CG 4.44Å; T41-L45 WeakPolarHBondContact O-CG 3.44Å; T41-L45 PolarHBondContact O-N 3.2Å; L45-L47 PolarHBondContact O-N 3.1Å; L45-R48 PolarHBondContact O-N 2.86Å; L45-F49 HydrophobicContact CD2-CD2 4.04Å; L45-F49 HydrophobicContact CD2-CE2 3.88Å; L45-F49 WeakPolarHBondContact O-CD2 3.47Å; L45-F49 PolarHBondContact O-N 3.36Å; L45-F54 HydrophobicContact CB-CD1 4.37Å; L45-F54 HydrophobicContact CB-CE1 3.65Å; L45-F54 HydrophobicContact CB-CZ 3.88Å; L45-F54 HydrophobicContact CD1-CE1 4.41Å; L45-I235 HydrophobicContact CD1-CD1 3.5Å; L45-A433 HydrophobicContact CD2-CB 3.89Å; L45-A433 HydrophobicContact CG-CB 4.35Å; L45-A436 HydrophobicContact CD2-CB 4.11Å
46	A	96.9	Very high	97.2	Very high	3 Å²	3	23.8 Å²	23.8	3%	0.025	11%	0.11	C	C	.	.	H	α-helix	trans	-62.9	-28.9	179.1	0	0	0	0	0	112.9	A42 R43 F54 F184	A42-A46 WeakPolarHBondContact O-CB 3.32Å; A42-A46 PolarHBondContact O-N 3.32Å; R43-A46 PolarHBondContact O-N 3.14Å; A46-F54 HydrophobicContact CB-CD2 4.12Å; A46-F54 HydrophobicContact CB-CE2 4.23Å; A46-F184 HydrophobicContact CB-CD2 4Å; A46-F184 HydrophobicContact CB-CE2 4.23Å
47	L	94.4	Very high	97.2	Very high	21 Å²	21	23.6 Å²	23.6	11%	0.11	11%	0.109	C	C	.	.	H	α-helix	trans	-69.5	-46.5	172.5	-80.9	168.8	0	0	0	113.5	R43 E44 L45 R448 F450	R43-L47 PolarHBondContact O-N 2.97Å; R43-L47 VanDerWaalsContact O-N 3.14Å; E44-L47 WeakPolarHBondContact O-CB 3.45Å; E44-L47 PolarHBondContact O-N 3.07Å; L45-L47 PolarHBondContact O-N 3.1Å; L47-R448 VanDerWaalsContact CD2-O 3.24Å; L47-R448 WeakPolarHBondContact CD2-O 3.38Å; L47-R448 PolarHBondContact O-N 3.38Å; L47-F450 HydrophobicContact CD1-CD2 3.45Å; L47-F450 VanDerWaalsContact CD1-CD2 3.45Å; L47-F450 HydrophobicContact CD1-CE2 3.23Å; L47-F450 HydrophobicContact CD1-CZ 4.34Å; L47-F450 HydrophobicContact CD2-CD1 4.22Å; L47-F450 HydrophobicContact CD2-CD2 3.14Å; L47-F450 HydrophobicContact CD2-CE1 4.14Å; L47-F450 HydrophobicContact CD2-CE2 3.11Å; L47-F450 HydrophobicContact CD2-CG 3.76Å; L47-F450 HydrophobicContact CD2-CZ 3.63Å; L47-F450 HydrophobicContact CG-CD2 3.54Å; L47-F450 HydrophobicContact CG-CE2 3.07Å; L47-F450 HydrophobicContact CG-CZ 3.74Å
48	R	95.3	Very high	97.2	Very high	51 Å²	51	23.5 Å²	23.5	19%	0.192	11%	0.108	C	C	.	.	H	α-helix	trans	-79.5	-28.4	-172.3	-66.8	-178.3	-176	-153.2	8.1	112.6	E44 L45 P50 D434	E44-R48 WeakPolarHBondContact O-CG 3.37Å; E44-R48 PolarHBondContact O-N 3.32Å; E44-R48 IonicContact OE1-CZ 2.76Å; E44-R48 IonicContact OE1-NE 2.73Å; E44-R48 PolarHBondContact OE1-NE 3.1Å; E44-R48 IonicContact OE1-NH2 2.59Å; E44-R48 PolarHBondContact OE1-NH2 3.35Å; L45-R48 PolarHBondContact O-N 2.86Å; R48-P50 VanDerWaalsContact C-CD 3.45Å; R48-P50 WeakPolarHBondContact O-CD 3.48Å; R48-D434 IonicContact CZ-OD1 2.81Å; R48-D434 IonicContact NH1-OD1 3.78Å; R48-D434 PolarHBondContact NH1-OD1 3.38Å; R48-D434 IonicContact NH2-OD1 2.78Å
49	F	95.6	Very high	97.1	Very high	1 Å²	1	25.6 Å²	25.6	0%	0.004	12%	0.117	C	C	.	.			trans	-126.3	64.5	-177.3	-51.8	-78.2	0	0	0	111.1	L45 K51 F52 F54 Q437 L442 L444	L45-F49 HydrophobicContact CD2-CD2 4.04Å; L45-F49 HydrophobicContact CD2-CE2 3.88Å; L45-F49 WeakPolarHBondContact O-CD2 3.47Å; L45-F49 PolarHBondContact O-N 3.36Å; F49-K51 PolarHBondContact O-N 3.4Å; F49-F52 HydrophobicContact CB-CB 4.05Å; F49-F52 HydrophobicContact CB-CD2 3.87Å; F49-F52 HydrophobicContact CB-CG 3.91Å; F49-F52 WeakPolarHBondContact O-CB 3.24Å; F49-F52 PolarHBondContact O-N 3.27Å; F49-F54 HydrophobicContact CB-CZ 4.05Å; F49-F54 WeakPolarHBondContact O-CE2 3.26Å; F49-Q437 HydrophobicContact CE1-CG 4.34Å; F49-Q437 HydrophobicContact CZ-CB 3.91Å; F49-Q437 HydrophobicContact CZ-CG 3.88Å; F49-L442 HydrophobicContact CD1-CB 4.27Å; F49-L442 HydrophobicContact CE1-CB 3.65Å; F49-L442 HydrophobicContact CE1-CD1 4.4Å; F49-L442 HydrophobicContact CE2-CD1 4.06Å; F49-L442 HydrophobicContact CZ-CB 3.93Å; F49-L442 HydrophobicContact CZ-CD1 4.02Å; F49-L444 HydrophobicContact CE1-CD2 3.99Å; F49-L444 HydrophobicContact CZ-CD2 4.26Å
50	P	93.3	Very high	97	Very high	32 Å²	32	28.3 Å²	28.3	21%	0.208	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-9.4	-172.4	27.1	-35.9	0	0	0	114.8	R48 E446 R448	R48-P50 VanDerWaalsContact C-CD 3.45Å; R48-P50 WeakPolarHBondContact O-CD 3.48Å; P50-E446 VanDerWaalsContact CG-O 3.28Å; P50-E446 WeakPolarHBondContact CG-O 3.38Å; P50-R448 HydrophobicContact CB-CG 4.28Å
51	K	93.3	Very high	96.9	Very high	172 Å²	172	35 Å²	35	75%	0.748	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-17.7	173.8	-65.4	-177.1	179.8	176.5	0	112.9	F49	F49-K51 PolarHBondContact O-N 3.4Å
52	F	95.6	Very high	96.9	Very high	40 Å²	40	39.7 Å²	39.7	18%	0.175	18%	0.182	C	C	.	.	S	Bend	trans	-79.9	144.2	-177.3	-81.7	-130.5	0	0	0	110.2	D28 I29 F49 F54 L442	D28-F52 HydrophobicContact CB-CB 4.01Å; D28-F52 HydrophobicContact CB-CD1 3.26Å; D28-F52 HydrophobicContact CB-CE1 3.87Å; D28-F52 HydrophobicContact CB-CG 3.87Å; D28-F52 VanDerWaalsContact OD2-CA 3.3Å; D28-F52 WeakPolarHBondContact OD2-CA 3.46Å; I29-F52 HydrophobicContact CD1-CD1 4.46Å; I29-F52 HydrophobicContact CG1-CD1 4.3Å; F49-F52 HydrophobicContact CB-CB 4.05Å; F49-F52 HydrophobicContact CB-CD2 3.87Å; F49-F52 HydrophobicContact CB-CG 3.91Å; F49-F52 WeakPolarHBondContact O-CB 3.24Å; F49-F52 PolarHBondContact O-N 3.27Å; F52-F54 HydrophobicContact CB-CD2 4.26Å; F52-F54 HydrophobicContact CB-CE1 4.24Å; F52-F54 HydrophobicContact CB-CE2 3.44Å; F52-F54 VanDerWaalsContact CB-CE2 3.44Å; F52-F54 HydrophobicContact CB-CZ 3.43Å; F52-F54 VanDerWaalsContact CB-CZ 3.43Å; F52-F54 HydrophobicContact CD1-CZ 4.49Å; F52-F54 HydrophobicContact CG-CZ 4.29Å; F52-F54 WeakPolarHBondContact O-CD2 3.27Å; F52-F54 WeakPolarHBondContact O-CE2 3.37Å; F52-L442 HydrophobicContact CE1-CD2 3.78Å; F52-L442 HydrophobicContact CZ-CD2 4.14Å
53	Q	96.9	Very high	96.8	Very high	98 Å²	98	40.4 Å²	40.4	46%	0.458	19%	0.186	S	C	.	.			trans	-91.1	126.8	171.7	-59.8	-56.2	-67.2	0	0	109.4	F27 D28 I29	F27-Q53 HydrophobicContact CD1-CB 4.12Å; D28-Q53 PolarHBondContact N-O 2.79Å; D28-Q53 PolarHBondContact OD2-N 2.9Å; I29-Q53 PolarHBondContact N-O 2.9Å
54	F	98.4	Very high	96.8	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	136	-176.6	-63	-82.6	0	0	0	111.6	I29 I31 L45 A46 F49 F52 F184 I190	I29-F54 HydrophobicContact CB-CD1 3.8Å; I29-F54 HydrophobicContact CB-CE1 3.8Å; I29-F54 HydrophobicContact CD1-CE1 4.04Å; I29-F54 HydrophobicContact CG1-CE1 4.04Å; I29-F54 WeakPolarHBondContact O-CA 3.49Å; I31-F54 HydrophobicContact CD1-CD1 4.09Å; L45-F54 HydrophobicContact CB-CD1 4.37Å; L45-F54 HydrophobicContact CB-CE1 3.65Å; L45-F54 HydrophobicContact CB-CZ 3.88Å; L45-F54 HydrophobicContact CD1-CE1 4.41Å; A46-F54 HydrophobicContact CB-CD2 4.12Å; A46-F54 HydrophobicContact CB-CE2 4.23Å; F49-F54 HydrophobicContact CB-CZ 4.05Å; F49-F54 WeakPolarHBondContact O-CE2 3.26Å; F52-F54 HydrophobicContact CB-CD2 4.26Å; F52-F54 HydrophobicContact CB-CE1 4.24Å; F52-F54 HydrophobicContact CB-CE2 3.44Å; F52-F54 VanDerWaalsContact CB-CE2 3.44Å; F52-F54 HydrophobicContact CB-CZ 3.43Å; F52-F54 VanDerWaalsContact CB-CZ 3.43Å; F52-F54 HydrophobicContact CD1-CZ 4.49Å; F52-F54 HydrophobicContact CG-CZ 4.29Å; F52-F54 WeakPolarHBondContact O-CD2 3.27Å; F52-F54 WeakPolarHBondContact O-CE2 3.37Å; F54-F184 HydrophobicContact CB-CE2 3.54Å; F54-F184 HydrophobicContact CB-CZ 3.58Å; F54-F184 HydrophobicContact CG-CE2 4.21Å; F54-I190 PolarHBondContact O-N 3.48Å
55	A	98.4	Very high	96.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	144.6	165.5	0	0	0	0	0	110.4	F27 I29 A30 I31 L57 I190 Y192	F27-A55 HydrophobicContact CB-CB 4.34Å; F27-A55 HydrophobicContact CD1-CB 3.71Å; F27-A55 HydrophobicContact CD2-CB 3.49Å; F27-A55 VanDerWaalsContact CD2-CB 3.49Å; F27-A55 HydrophobicContact CE1-CB 3.82Å; F27-A55 HydrophobicContact CE2-CB 3.58Å; F27-A55 HydrophobicContact CG-CB 3.55Å; F27-A55 HydrophobicContact CZ-CB 3.76Å; I29-A55 PolarHBondContact O-N 3Å; I29-A55 VanDerWaalsContact O-N 3.17Å; A30-A55 CarbonylContact C-O 3.25Å; A30-A55 WeakPolarHBondContact CA-O 3.38Å; I31-A55 WeakPolarHBondContact CD1-O 3.3Å; I31-A55 PolarHBondContact N-O 3.38Å; A55-L57 HydrophobicContact CB-CD2 4.5Å; A55-I190 CarbonylContact C-O 3.59Å; A55-I190 VanDerWaalsContact CA-O 3.31Å; A55-I190 WeakPolarHBondContact CA-O 3.36Å; A55-Y192 HydrophobicContact CB-CD2 4.26Å; A55-Y192 HydrophobicContact CB-CE2 4.17Å
56	L	98.8	Very high	96.8	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.2	164.1	-175.4	145.9	0	0	0	109.6	I31 L39 A42 E58 L63 F184 I190 I191 Y192	I31-L56 HydrophobicContact CB-CB 4.5Å; I31-L56 HydrophobicContact CB-CD1 4.37Å; I31-L56 HydrophobicContact CB-CG 4.41Å; I31-L56 HydrophobicContact CG2-CD1 4.12Å; I31-L56 HydrophobicContact CG2-CG 4.48Å; I31-L56 CarbonylContact O-C 3.46Å; I31-L56 VanDerWaalsContact O-CA 3.26Å; I31-L56 WeakPolarHBondContact O-CA 3.41Å; L39-L56 HydrophobicContact CD2-CD1 3.59Å; L39-L56 HydrophobicContact CG-CD1 3.81Å; A42-L56 HydrophobicContact CB-CD1 4.11Å; L56-E58 HydrophobicContact CD2-CB 4.24Å; L56-L63 HydrophobicContact CD2-CD2 4.3Å; L56-F184 HydrophobicContact CB-CE1 3.87Å; L56-F184 HydrophobicContact CB-CZ 4.44Å; L56-I190 PolarHBondContact N-O 2.84Å; L56-I191 HydrophobicContact CB-CG1 4.32Å; L56-I191 HydrophobicContact CD2-CG2 3.99Å; L56-I191 WeakPolarHBondContact O-CA 3.29Å; L56-Y192 PolarHBondContact O-N 3.06Å
57	L	98.5	Very high	96.8	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.2	-177.1	-50.8	178.9	0	0	0	109.4	I31 V32 G33 A55 Y192 F195 V197 I213 V229	I31-L57 PolarHBondContact O-N 3.24Å; V32-L57 HydrophobicContact CG2-CD1 4.37Å; G33-L57 PolarHBondContact N-O 3.36Å; A55-L57 HydrophobicContact CB-CD2 4.5Å; L57-Y192 HydrophobicContact CD2-CD2 3.74Å; L57-Y192 HydrophobicContact CD2-CG 4.32Å; L57-F195 HydrophobicContact CB-CB 4.47Å; L57-F195 HydrophobicContact CB-CD1 3.81Å; L57-F195 HydrophobicContact CB-CE1 4.46Å; L57-F195 HydrophobicContact CB-CG 4.3Å; L57-F195 HydrophobicContact CD1-CD1 3.93Å; L57-F195 HydrophobicContact CD1-CE1 3.71Å; L57-F195 HydrophobicContact CD1-CZ 4.31Å; L57-F195 HydrophobicContact CD2-CD1 4.08Å; L57-F195 HydrophobicContact CD2-CD2 4.4Å; L57-F195 HydrophobicContact CD2-CE1 4.34Å; L57-F195 HydrophobicContact CD2-CG 4.11Å; L57-F195 HydrophobicContact CG-CD1 4.15Å; L57-F195 HydrophobicContact CG-CE1 4.39Å; L57-V197 HydrophobicContact CD1-CG2 4.31Å; L57-I213 HydrophobicContact CD1-CB 4.35Å; L57-I213 HydrophobicContact CD1-CD1 3.8Å; L57-I213 HydrophobicContact CD1-CG2 3.91Å; L57-V229 HydrophobicContact CD1-CG2 3.86Å; L57-V229 HydrophobicContact CD2-CG1 4.32Å; L57-V229 HydrophobicContact CD2-CG2 4.24Å
58	E	98.3	Very high	97	Very high	15 Å²	15	44.7 Å²	44.7	7%	0.07	21%	0.209	C	C	.	.			trans	-116.1	131.4	177.8	172.9	51.9	-115.7	0	0	110.2	G34 L56 E60 L63 Y192 K193 S194 F195	G34-E58 WeakPolarHBondContact CA-OE2 3.35Å; G34-E58 PolarHBondContact N-OE2 3.32Å; L56-E58 HydrophobicContact CD2-CB 4.24Å; E58-E60 HydrophobicContact CG-CB 4.19Å; E58-E60 WeakPolarHBondContact OE1-CB 3.32Å; E58-E60 WeakPolarHBondContact OE1-CG 3.44Å; E58-E60 PolarHBondContact OE1-N 2.94Å; E58-L63 HydrophobicContact CB-CD2 3.99Å; E58-L63 HydrophobicContact CG-CD2 4.03Å; E58-Y192 PolarHBondContact N-O 3.48Å; E58-K193 CarbonylContact O-C 3.52Å; E58-K193 WeakPolarHBondContact O-CA 3.44Å; E58-S194 PolarHBondContact O-N 3.14Å; E58-F195 CarbonylContact C-O 3.59Å; E58-F195 CarbonylContact O-C 3.5Å; E58-F195 WeakPolarHBondContact O-CA 3.41Å; E58-F195 PolarHBondContact O-N 3.19Å
59	K	97	Very high	97	Very high	45 Å²	45	43.3 Å²	43.3	20%	0.196	21%	0.21	C	C	.	.	S	Bend	trans	-72	-32	-179.1	66.6	177.9	-178.1	95	0	112.9	H66 S194 F195 K196 E315	K59-H66 WeakPolarHBondContact CE-NE2 3.22Å; K59-H66 PolarHBondContact NZ-NE2 3.39Å; K59-S194 WeakPolarHBondContact O-CA 3.45Å; K59-F195 WeakPolarHBondContact CA-O 3.4Å; K59-F195 PolarHBondContact N-O 2.79Å; K59-K196 HydrophobicContact CB-CB 3.82Å; K59-K196 HydrophobicContact CB-CG 4.02Å; K59-E315 WeakPolarHBondContact CE-OE1 3.13Å; K59-E315 IonicContact NZ-OE1 2.72Å; K59-E315 PolarHBondContact NZ-OE1 2.93Å; K59-E315 IonicContact NZ-OE2 3.95Å; K59-E315 PolarHBondContact NZ-OE2 2.91Å
60	E	96.7	Very high	97	Very high	56 Å²	56	46.6 Å²	46.6	26%	0.262	23%	0.226	S	C	.	.	S	Bend	trans	-81.4	161	-178.9	-62.4	-55.4	144.2	0	0	112.2	E58 E62 M65 H66 K193 S194	E58-E60 HydrophobicContact CG-CB 4.19Å; E58-E60 WeakPolarHBondContact OE1-CB 3.32Å; E58-E60 WeakPolarHBondContact OE1-CG 3.44Å; E58-E60 PolarHBondContact OE1-N 2.94Å; E60-E62 VanDerWaalsContact CB-O 3.31Å; E60-E62 WeakPolarHBondContact CB-O 3.2Å; E60-E62 PolarHBondContact O-N 3.11Å; E60-M65 HydrophobicContact CB-CB 4.29Å; E60-M65 HydrophobicContact CB-CG 4.17Å; E60-M65 HydrophobicContact CG-CB 4.02Å; E60-M65 HydrophobicContact CG-CG 4.45Å; E60-H66 IonicContact OE1-CE1 2.81Å; E60-H66 IonicContact OE1-NE2 3.48Å; E60-H66 PolarHBondContact OE1-NE2 2.77Å; E60-H66 VanDerWaalsContact OE1-NE2 3.13Å; E60-K193 WeakPolarHBondContact O-CB 3.08Å; E60-S194 PolarHBondContact O-N 3.43Å
61	E	96.1	Very high	97.1	Very high	143 Å²	143	46.9 Å²	46.9	67%	0.668	23%	0.225	S	C	*	.	S	Bend	trans	-72.2	-16	174.8	-58.1	-170.3	161.7	0	0	112.7	K193	E61-K193 VanDerWaalsContact O-CD 3.23Å; E61-K193 WeakPolarHBondContact O-CD 3.32Å; E61-K193 VanDerWaalsContact O-CE 3.24Å; E61-K193 WeakPolarHBondContact O-CE 3.31Å; E61-K193 PolarHBondContact O-NZ 2.82Å
62	E	98	Very high	97.1	Very high	99 Å²	99	39.4 Å²	39.4	46%	0.463	19%	0.194	S	C	.	.	S	Bend	trans	-135.5	156.7	179.8	-70.7	-169.3	-126.1	0	0	111.1	E60 M65 R174	E60-E62 VanDerWaalsContact CB-O 3.31Å; E60-E62 WeakPolarHBondContact CB-O 3.2Å; E60-E62 PolarHBondContact O-N 3.11Å; E62-M65 HydrophobicContact CB-CG 3.75Å; E62-M65 HydrophobicContact CB-SD 3.69Å; E62-M65 VanDerWaalsContact O-CG 3.26Å; E62-M65 WeakPolarHBondContact O-CG 3.5Å; E62-R174 IonicContact OE2-CZ 2.68Å; E62-R174 IonicContact OE2-NH2 3.46Å; E62-R174 PolarHBondContact OE2-NH2 2.95Å
63	L	98.6	Very high	97.2	Very high	15 Å²	15	37.7 Å²	37.7	8%	0.079	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	151.2	-179.2	-61.6	169	0	0	0	111.3	L39 L56 E58 M65 R174 L178 A181 I191	L39-L63 HydrophobicContact CD1-CB 4.46Å; L39-L63 HydrophobicContact CD1-CD1 4.24Å; L39-L63 HydrophobicContact CD1-CD2 4.37Å; L56-L63 HydrophobicContact CD2-CD2 4.3Å; E58-L63 HydrophobicContact CB-CD2 3.99Å; E58-L63 HydrophobicContact CG-CD2 4.03Å; L63-M65 VanDerWaalsContact C-N 3.29Å; L63-M65 PolarHBondContact O-N 2.82Å; L63-R174 PolarHBondContact O-NE 2.84Å; L63-L178 HydrophobicContact CB-CD2 3.94Å; L63-L178 HydrophobicContact CD1-CD2 4.32Å; L63-A181 HydrophobicContact CD1-CB 3.5Å; L63-A181 VanDerWaalsContact CD1-CB 3.5Å; L63-I191 HydrophobicContact CD1-CD1 4.04Å; L63-I191 HydrophobicContact CD1-CG2 4.49Å; L63-I191 HydrophobicContact CD2-CG2 4.02Å
64	G	97.7	Very high	97.2	Very high	3 Å²	3	33.1 Å²	33.1	3%	0.031	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	24.2	173.7	0	0	0	0	0	115.4	G34 H66 G69	G34-G64 PolarHBondContact O-N 3Å; G34-G64 VanDerWaalsContact O-N 3.13Å; G64-H66 PolarHBondContact O-N 3.08Å; G64-G69 WeakPolarHBondContact O-CA 3.29Å; G64-G69 PolarHBondContact O-N 3.47Å
65	M	97.6	Very high	97.3	Very high	66 Å²	66	32.8 Å²	32.8	33%	0.325	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-2.1	-174.2	-66.7	-58.7	-69	0	0	115.5	E60 E62 L63	E60-M65 HydrophobicContact CB-CB 4.29Å; E60-M65 HydrophobicContact CB-CG 4.17Å; E60-M65 HydrophobicContact CG-CB 4.02Å; E60-M65 HydrophobicContact CG-CG 4.45Å; E62-M65 HydrophobicContact CB-CG 3.75Å; E62-M65 HydrophobicContact CB-SD 3.69Å; E62-M65 VanDerWaalsContact O-CG 3.26Å; E62-M65 WeakPolarHBondContact O-CG 3.5Å; L63-M65 VanDerWaalsContact C-N 3.29Å; L63-M65 PolarHBondContact O-N 2.82Å
66	H	97.2	Very high	97.2	Very high	34 Å²	34	33.9 Å²	33.9	16%	0.157	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-121.4	180	-59.2	-37.3	0	0	0	111.5	K59 E60 G64 S68 G69 H70 E315 Y317	K59-H66 WeakPolarHBondContact CE-NE2 3.22Å; K59-H66 PolarHBondContact NZ-NE2 3.39Å; E60-H66 IonicContact OE1-CE1 2.81Å; E60-H66 IonicContact OE1-NE2 3.48Å; E60-H66 PolarHBondContact OE1-NE2 2.77Å; E60-H66 VanDerWaalsContact OE1-NE2 3.13Å; G64-H66 PolarHBondContact O-N 3.08Å; H66-S68 PolarHBondContact O-N 3.04Å; H66-G69 PolarHBondContact O-N 3.28Å; H66-H70 WeakPolarHBondContact O-CB 3.19Å; H66-H70 PolarHBondContact O-N 3.3Å; H66-E315 IonicContact CD2-OE1 2.66Å; H66-E315 IonicContact NE2-OE1 3.66Å; H66-E315 IonicContact NE2-OE2 2.81Å; H66-Y317 WeakPolarHBondContact CA-OH 3.48Å; H66-Y317 VanDerWaalsContact CB-OH 3.27Å; H66-Y317 WeakPolarHBondContact CB-OH 3.3Å; H66-Y317 AromaticContact ND1-CE2 3.92Å; H66-Y317 PolarHBondContact ND1-OH 2.69Å
67	Q	96.9	Very high	97.1	Very high	50 Å²	50	34 Å²	34	23%	0.234	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-32.6	-172	-56.1	-176.1	-96.9	0	0	113.7	N71 G239 L240	Q67-N71 PolarHBondContact O-ND2 3.01Å; Q67-G239 VanDerWaalsContact OE1-CA 3.25Å; Q67-L240 HydrophobicContact CG-CD1 3.76Å; Q67-L240 HydrophobicContact CG-CG 3.99Å; Q67-L240 VanDerWaalsContact OE1-N 3.14Å
68	S	97.8	Very high	96.9	Very high	11 Å²	11	33.9 Å²	33.9	8%	0.077	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-30	179.2	-59.1	0	0	0	0	114	I36 H66 N71 W173 R174	I36-S68 WeakPolarHBondContact CB-OG 3.5Å; I36-S68 WeakPolarHBondContact CG2-OG 3.23Å; I36-S68 PolarHBondContact N-OG 3.24Å; H66-S68 PolarHBondContact O-N 3.04Å; S68-N71 VanDerWaalsContact C-ND2 3.28Å; S68-N71 PolarHBondContact O-ND2 2.92Å; S68-W173 CarbonylContact O-C 3.5Å; S68-W173 WeakPolarHBondContact O-CB 3.43Å; S68-R174 PolarHBondContact O-N 3.1Å
69	G	96.4	Very high	96.8	Very high	22 Å²	22	33.4 Å²	33.4	23%	0.227	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-23.1	174.4	0	0	0	0	0	113.8	G64 H66	G64-G69 WeakPolarHBondContact O-CA 3.29Å; G64-G69 PolarHBondContact O-N 3.47Å; H66-G69 PolarHBondContact O-N 3.28Å
70	H	96	Very high	96.7	Very high	70 Å²	70	33.2 Å²	33.2	32%	0.324	17%	0.167	S	C	.	.	S	Bend	trans	-108.9	69.8	-175.1	-62.1	-177.4	0	0	0	111.1	H66 Y317 G382	H66-H70 WeakPolarHBondContact O-CB 3.19Å; H66-H70 PolarHBondContact O-N 3.3Å; H70-Y317 HydrophobicContact CB-CD1 4.49Å; H70-Y317 HydrophobicContact CB-CE1 3.94Å; H70-Y317 AromaticContact CE1-CD2 3.74Å; H70-Y317 AromaticContact CE1-CE1 3.95Å; H70-Y317 AromaticContact CE1-CE2 3.64Å; H70-Y317 AromaticContact CE1-CG 3.95Å; H70-Y317 AromaticContact CE1-CZ 3.77Å; H70-Y317 AromaticContact CG-CE1 3.82Å; H70-Y317 AromaticContact ND1-CD1 3.22Å; H70-Y317 WeakPolarHBondContact ND1-CD1 3.4Å; H70-Y317 AromaticContact ND1-CD2 3.68Å; H70-Y317 AromaticContact ND1-CE1 2.95Å; H70-Y317 WeakPolarHBondContact ND1-CE1 3.3Å; H70-Y317 AromaticContact ND1-CE2 3.43Å; H70-Y317 WeakPolarHBondContact ND1-CE2 3.37Å; H70-Y317 AromaticContact ND1-CG 3.59Å; H70-Y317 AromaticContact ND1-CZ 3.09Å; H70-G382 WeakPolarHBondContact O-CA 3.24Å
71	N	94.8	Very high	96.5	Very high	38 Å²	38	31.5 Å²	31.5	20%	0.203	16%	0.159	C	C	.	.	S	Bend	trans	-143.8	-178.4	177	61.1	68.6	0	0	0	110.7	Q67 S68 G73 W173 R297	Q67-N71 PolarHBondContact O-ND2 3.01Å; S68-N71 VanDerWaalsContact C-ND2 3.28Å; S68-N71 PolarHBondContact O-ND2 2.92Å; N71-G73 VanDerWaalsContact C-N 3.33Å; N71-G73 WeakPolarHBondContact OD1-CA 3.28Å; N71-G73 PolarHBondContact OD1-N 3.29Å; N71-W173 VanDerWaalsContact OD1-CD1 3.23Å; N71-R297 PolarHBondContact O-NH1 2.76Å
72	S	94.3	Very high	96.4	Very high	14 Å²	14	29 Å²	29	10%	0.098	15%	0.153	C	C	.	.			trans	-76.8	-15.8	-176.9	60.5	0	0	0	0	113.9	V74 T295 R297	S72-V74 VanDerWaalsContact C-N 3.35Å; S72-V74 WeakPolarHBondContact OG-CG2 3.46Å; S72-T295 VanDerWaalsContact O-CG2 3.28Å; S72-T295 WeakPolarHBondContact O-CG2 3.31Å; S72-R297 PolarHBondContact O-NH1 2.97Å
73	G	96.9	Very high	96.3	Very high	4 Å²	4	25.9 Å²	25.9	4%	0.041	14%	0.142	C	C	.	.			trans	84.4	4.7	-176.4	0	0	0	0	0	114.3	N71 I170 V171	N71-G73 VanDerWaalsContact C-N 3.33Å; N71-G73 WeakPolarHBondContact OD1-CA 3.28Å; N71-G73 PolarHBondContact OD1-N 3.29Å; G73-I170 CarbonylContact O-C 3.52Å; G73-I170 VanDerWaalsContact O-CA 3.28Å; G73-I170 WeakPolarHBondContact O-CA 3.35Å; G73-V171 CarbonylContact C-O 3.56Å; G73-V171 WeakPolarHBondContact CA-O 3.13Å; G73-V171 PolarHBondContact O-N 3.01Å; G73-V171 VanDerWaalsContact O-O 3.08Å
74	V	97.9	Very high	96.2	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	136.7	-173.7	177.6	0	0	0	0	112	S72 H76 T168 W173 N278 Y280 T295	S72-V74 VanDerWaalsContact C-N 3.35Å; S72-V74 WeakPolarHBondContact OG-CG2 3.46Å; V74-H76 PolarHBondContact O-CD2 3.48Å; V74-T168 HydrophobicContact CG1-CG2 3.82Å; V74-W173 PolarHBondContact O-NE1 2.96Å; V74-N278 WeakPolarHBondContact CG2-OD1 3.32Å; V74-Y280 WeakPolarHBondContact CG2-OH 3.37Å; V74-T295 HydrophobicContact CG2-CG2 3.51Å
75	I	98.6	Very high	96	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	104.2	167.8	-47.6	166.3	0	0	0	107.7	L95 Y99 F102 T168 G169 V171 W173 T423	I75-L95 HydrophobicContact CG2-CD1 3.48Å; I75-L95 VanDerWaalsContact CG2-CD1 3.48Å; I75-Y99 HydrophobicContact CD1-CE1 3.72Å; I75-F102 HydrophobicContact CD1-CD2 4.47Å; I75-F102 HydrophobicContact CD1-CE2 3.76Å; I75-F102 HydrophobicContact CG1-CE2 4.42Å; I75-T168 WeakPolarHBondContact O-CA 3.41Å; I75-T168 VanDerWaalsContact O-CG2 3.3Å; I75-T168 WeakPolarHBondContact O-CG2 3.29Å; I75-G169 PolarHBondContact N-O 2.83Å; I75-G169 PolarHBondContact O-N 2.93Å; I75-V171 HydrophobicContact CD1-CB 4.06Å; I75-V171 HydrophobicContact CD1-CG1 4.11Å; I75-V171 HydrophobicContact CG1-CB 4.15Å; I75-V171 HydrophobicContact CG1-CG1 3.66Å; I75-W173 HydrophobicContact CB-CZ2 4.22Å; I75-W173 HydrophobicContact CG1-CH2 4.26Å; I75-W173 HydrophobicContact CG1-CZ2 3.79Å; I75-W173 HydrophobicContact CG2-CH2 4.44Å; I75-W173 HydrophobicContact CG2-CZ2 4.34Å; I75-T423 HydrophobicContact CG2-CG2 3.71Å
76	H	97.7	Very high	95.9	Very high	22 Å²	22	29 Å²	29	10%	0.102	17%	0.173	C	C	.	.			trans	-81.8	140	-170.8	-68.6	-96	0	0	0	113	V74 C91 S419 P420 T423	V74-H76 PolarHBondContact O-CD2 3.48Å; H76-C91 PolarHBondContact O-SG 3.41Å; H76-S419 PolarHBondContact NE2-OG 3.19Å; H76-P420 HydrophobicContact CB-CB 3.89Å; H76-T423 PolarHBondContact N-OG1 3.05Å; H76-T423 WeakPolarHBondContact O-CG2 3.42Å
77	A	96.2	Very high	95.8	Very high	2 Å²	2	28.2 Å²	28.2	2%	0.017	17%	0.169	C	C	.	.			trans	-94.6	-8.8	-179.1	0	0	0	0	0	115.7	L95 V139 S165	A77-L95 HydrophobicContact CB-CD2 4.08Å; A77-V139 HydrophobicContact CB-CG1 3.81Å; A77-V139 WeakPolarHBondContact O-CG2 3.43Å; A77-S165 WeakPolarHBondContact CB-OG 3.46Å
78	G	95.3	Very high	95.7	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.01	16%	0.158	C	C	.	.	S	Bend	trans	103.8	9.8	176.5	0	0	0	0	0	117.1	Y80 C91 N137	G78-Y80 PolarHBondContact O-N 3.4Å; G78-C91 PolarHBondContact N-SG 2.77Å; G78-N137 PolarHBondContact O-ND2 2.79Å
79	V	95.9	Very high	95.7	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.03	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-35.1	-173	180	0	0	0	0	114.2	Y81 I116 A134 V139 I163	V79-Y81 PolarHBondContact O-N 2.79Å; V79-I116 HydrophobicContact CB-CD1 3.9Å; V79-I116 HydrophobicContact CG1-CD1 3.32Å; V79-I116 HydrophobicContact CG2-CD1 4.41Å; V79-A134 HydrophobicContact CB-CB 4.36Å; V79-A134 HydrophobicContact CG1-CB 4.08Å; V79-A134 HydrophobicContact CG2-CB 4.17Å; V79-V139 HydrophobicContact CG2-CG1 4.06Å; V79-V139 HydrophobicContact CG2-CG2 4.38Å; V79-I163 HydrophobicContact CG1-CD1 4.09Å; V79-I163 HydrophobicContact CG1-CG2 4.4Å
80	Y	93.2	Very high	95.7	Very high	40 Å²	40	30.8 Å²	30.8	16%	0.157	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-5.6	-170.2	-71.4	-76.3	0	0	0	115	G78 I116 L130 Y280 P281 P283 L290	G78-Y80 PolarHBondContact O-N 3.4Å; Y80-I116 HydrophobicContact CD2-CD1 4.49Å; Y80-I116 HydrophobicContact CE1-CD1 4.07Å; Y80-I116 HydrophobicContact CE1-CG2 4.38Å; Y80-I116 HydrophobicContact CE2-CD1 3.74Å; Y80-I116 HydrophobicContact CE2-CG1 4.33Å; Y80-I116 VanDerWaalsContact CZ-CD1 3.5Å; Y80-I116 WeakPolarHBondContact OH-CD1 3.48Å; Y80-I116 WeakPolarHBondContact OH-CG1 3.36Å; Y80-I116 WeakPolarHBondContact OH-CG2 3.24Å; Y80-L130 HydrophobicContact CD1-CD1 4.18Å; Y80-L130 HydrophobicContact CD1-CD2 4.25Å; Y80-L130 HydrophobicContact CE1-CD1 4.09Å; Y80-Y280 HydrophobicContact CE2-CD1 4.46Å; Y80-Y280 VanDerWaalsContact OH-CB 3.29Å; Y80-Y280 WeakPolarHBondContact OH-CB 3.48Å; Y80-P281 PolarHBondContact OH-O 2.61Å; Y80-P283 HydrophobicContact CD1-CG 4.1Å; Y80-P283 HydrophobicContact CE1-CG 4.11Å; Y80-L290 HydrophobicContact CD1-CD1 3.68Å; Y80-L290 HydrophobicContact CE1-CD1 3.28Å; Y80-L290 HydrophobicContact CE1-CD2 4.43Å; Y80-L290 HydrophobicContact CE1-CG 4.4Å; Y80-L290 HydrophobicContact CE2-CD1 4.43Å; Y80-L290 HydrophobicContact CE2-CD2 4.19Å; Y80-L290 HydrophobicContact CG-CD1 4.38Å
81	Y	93.4	Very high	95.8	Very high	20 Å²	20	27.5 Å²	27.5	8%	0.078	16%	0.157	C	C	.	.	S	Bend	trans	-101.2	138.9	-163.7	-49.2	-47.4	0	0	0	111.5	V79 K87 C91 N137 P420	V79-Y81 PolarHBondContact O-N 2.79Å; Y81-K87 HydrophobicContact CD1-CD 3.51Å; Y81-K87 HydrophobicContact CD1-CG 3.87Å; Y81-K87 HydrophobicContact CD2-CG 4.26Å; Y81-K87 HydrophobicContact CE1-CD 3.9Å; Y81-K87 VanDerWaalsContact CE1-CE 3.44Å; Y81-K87 HydrophobicContact CE1-CG 4.22Å; Y81-K87 HydrophobicContact CG-CD 4.01Å; Y81-K87 HydrophobicContact CG-CG 3.9Å; Y81-C91 HydrophobicContact CD2-CB 4.01Å; Y81-C91 HydrophobicContact CE2-CB 3.84Å; Y81-N137 PolarHBondContact O-ND2 3.13Å; Y81-P420 HydrophobicContact CD2-CG 4.42Å; Y81-P420 HydrophobicContact CE2-CB 4.14Å; Y81-P420 HydrophobicContact CE2-CG 3.55Å; Y81-P420 WeakPolarHBondContact OH-CB 3.21Å; Y81-P420 WeakPolarHBondContact OH-CD 3.15Å; Y81-P420 WeakPolarHBondContact OH-CG 3.27Å
82	T	93.8	Very high	96	Very high	91 Å²	91	27.1 Å²	27.1	56%	0.558	16%	0.156	S	C	*	.	P	Polyproline II helix	trans	-56.4	127.8	177.3	-54	0	0	0	0	110.5	S85	T82-S85 WeakPolarHBondContact O-CB 3.42Å; T82-S85 PolarHBondContact O-N 3.32Å; T82-S85 PolarHBondContact O-OG 3.42Å
83	P	96.8	Very high	96.2	Very high	33 Å²	33	30.3 Å²	30.3	21%	0.214	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	141.3	175.9	-28.7	36.4	0	0	0	113.2	S85 F133 Q136 N137	P83-S85 VanDerWaalsContact C-N 3.28Å; P83-S85 PolarHBondContact O-N 3.36Å; P83-F133 HydrophobicContact CG-CB 4.09Å; P83-F133 HydrophobicContact CG-CD1 3.65Å; P83-F133 HydrophobicContact CG-CE1 4.15Å; P83-F133 HydrophobicContact CG-CG 3.87Å; P83-Q136 HydrophobicContact CB-CB 4.03Å; P83-Q136 HydrophobicContact CG-CB 3.86Å; P83-N137 VanDerWaalsContact CA-OD1 3.25Å; P83-N137 WeakPolarHBondContact CA-OD1 3.24Å
84	G	95	Very high	96.3	Very high	51 Å²	51	30.1 Å²	30.1	53%	0.526	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	-19.7	-178.5	0	0	0	0	0	115.6	K89	G84-K89 WeakPolarHBondContact O-CE 3.19Å; G84-K89 PolarHBondContact O-NZ 3.05Å
85	S	95	Very high	96.3	Very high	23 Å²	23	30.2 Å²	30.2	16%	0.161	17%	0.168	C	C	.	.	S	Bend	trans	-62.3	152.5	176.1	64.2	0	0	0	0	112.5	T82 P83 K87 A88 K89 D397	T82-S85 WeakPolarHBondContact O-CB 3.42Å; T82-S85 PolarHBondContact O-N 3.32Å; T82-S85 PolarHBondContact O-OG 3.42Å; P83-S85 VanDerWaalsContact C-N 3.28Å; P83-S85 PolarHBondContact O-N 3.36Å; S85-K87 PolarHBondContact O-N 3.15Å; S85-A88 PolarHBondContact O-N 3.46Å; S85-A88 VanDerWaalsContact OG-CB 3.3Å; S85-A88 WeakPolarHBondContact OG-CB 3.36Å; S85-A88 PolarHBondContact OG-N 3.42Å; S85-A88 VanDerWaalsContact OG-N 3.07Å; S85-K89 WeakPolarHBondContact O-CG 3.35Å; S85-K89 PolarHBondContact O-N 2.96Å; S85-D397 WeakPolarHBondContact CB-OD2 3.49Å
86	L	94.5	Very high	96.3	Very high	76 Å²	76	36.8 Å²	36.8	40%	0.398	20%	0.196	S	C	.	.	H	α-helix	trans	-62.5	-39.1	172.7	-69.6	173.7	0	0	0	109.9	A88 K89 L90 D397 F398	L86-A88 VanDerWaalsContact C-N 3.34Å; L86-A88 PolarHBondContact O-N 2.82Å; L86-K89 PolarHBondContact O-N 3.38Å; L86-L90 HydrophobicContact CB-CD1 4.43Å; L86-L90 VanDerWaalsContact O-CB 3.31Å; L86-L90 WeakPolarHBondContact O-CB 3.45Å; L86-L90 VanDerWaalsContact O-CG 3.27Å; L86-L90 WeakPolarHBondContact O-CG 3.45Å; L86-L90 PolarHBondContact O-N 2.85Å; L86-D397 WeakPolarHBondContact CB-OD1 3.4Å; L86-D397 PolarHBondContact N-OD2 3.23Å; L86-F398 HydrophobicContact CB-CD2 4Å
87	K	94.4	Very high	96.3	Very high	18 Å²	18	38.7 Å²	38.7	8%	0.078	20%	0.204	C	C	.	.	H	α-helix	trans	-51	-48.3	172.9	-164.2	178.9	-163	162.3	0	113.7	Y81 S85 C91 D396 D397 F398 S419 P420	Y81-K87 HydrophobicContact CD1-CD 3.51Å; Y81-K87 HydrophobicContact CD1-CG 3.87Å; Y81-K87 HydrophobicContact CD2-CG 4.26Å; Y81-K87 HydrophobicContact CE1-CD 3.9Å; Y81-K87 VanDerWaalsContact CE1-CE 3.44Å; Y81-K87 HydrophobicContact CE1-CG 4.22Å; Y81-K87 HydrophobicContact CG-CD 4.01Å; Y81-K87 HydrophobicContact CG-CG 3.9Å; S85-K87 PolarHBondContact O-N 3.15Å; K87-C91 WeakPolarHBondContact O-CB 3.48Å; K87-C91 PolarHBondContact O-N 3.48Å; K87-C91 VanDerWaalsContact O-N 3.1Å; K87-D396 WeakPolarHBondContact CD-O 3.38Å; K87-D396 PolarHBondContact NZ-O 3.01Å; K87-D397 WeakPolarHBondContact CB-OD1 3.48Å; K87-D397 PolarHBondContact N-OD1 3.4Å; K87-F398 HydrophobicContact CB-CE2 4.35Å; K87-S419 WeakPolarHBondContact CE-O 3.36Å; K87-S419 PolarHBondContact NZ-O 3.14Å; K87-P420 VanDerWaalsContact CE-CD 3.47Å; K87-P420 HydrophobicContact CG-CG 4.28Å
88	A	96.1	Very high	96.5	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-64.3	-52.9	178.2	0	0	0	0	0	111.2	S85 L86 C91 V92	S85-A88 PolarHBondContact O-N 3.46Å; S85-A88 VanDerWaalsContact OG-CB 3.3Å; S85-A88 WeakPolarHBondContact OG-CB 3.36Å; S85-A88 PolarHBondContact OG-N 3.42Å; S85-A88 VanDerWaalsContact OG-N 3.07Å; L86-A88 VanDerWaalsContact C-N 3.34Å; L86-A88 PolarHBondContact O-N 2.82Å; A88-C91 PolarHBondContact O-N 2.98Å; A88-V92 PolarHBondContact O-N 3.01Å
89	K	96.9	Very high	96.6	Very high	125 Å²	125	39.4 Å²	39.4	54%	0.543	21%	0.207	S	C	.	.	H	α-helix	trans	-59.1	-53.3	-177.3	-67.7	173.7	-179	173	0	111.9	G84 S85 L86 C91 V92 E93	G84-K89 WeakPolarHBondContact O-CE 3.19Å; G84-K89 PolarHBondContact O-NZ 3.05Å; S85-K89 WeakPolarHBondContact O-CG 3.35Å; S85-K89 PolarHBondContact O-N 2.96Å; L86-K89 PolarHBondContact O-N 3.38Å; K89-C91 VanDerWaalsContact C-N 3.29Å; K89-C91 PolarHBondContact O-N 2.91Å; K89-V92 PolarHBondContact O-N 2.96Å; K89-E93 WeakPolarHBondContact O-CB 3.43Å; K89-E93 PolarHBondContact O-N 2.77Å
90	L	97.9	Very high	96.7	Very high	11 Å²	11	44.2 Å²	44.2	6%	0.058	23%	0.229	C	C	.	.	H	α-helix	trans	-70.9	-23.4	-177.3	-58.9	-178.7	0	0	0	112.6	L86 G94 F398 A424 A427 I428 V431	L86-L90 HydrophobicContact CB-CD1 4.43Å; L86-L90 VanDerWaalsContact O-CB 3.31Å; L86-L90 WeakPolarHBondContact O-CB 3.45Å; L86-L90 VanDerWaalsContact O-CG 3.27Å; L86-L90 WeakPolarHBondContact O-CG 3.45Å; L86-L90 PolarHBondContact O-N 2.85Å; L90-G94 VanDerWaalsContact O-CA 3.29Å; L90-G94 WeakPolarHBondContact O-CA 3.32Å; L90-G94 PolarHBondContact O-N 3.36Å; L90-F398 HydrophobicContact CB-CE2 4.11Å; L90-F398 HydrophobicContact CD1-CD2 3.76Å; L90-F398 HydrophobicContact CD1-CE2 3.76Å; L90-F398 HydrophobicContact CG-CE2 4.43Å; L90-A424 HydrophobicContact CB-CB 4.11Å; L90-A424 WeakPolarHBondContact O-CB 3.24Å; L90-A427 HydrophobicContact CB-CB 4.18Å; L90-A427 HydrophobicContact CD2-CB 3.91Å; L90-I428 HydrophobicContact CD1-CG1 3.97Å; L90-V431 HydrophobicContact CD1-CG2 4.13Å; L90-V431 HydrophobicContact CD2-CG2 3.79Å
91	C	98.1	Very high	97	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.4	-46.2	172.2	-170.8	0	0	0	0	111.8	H76 G78 Y81 K87 A88 K89 G94 L95 P420	H76-C91 PolarHBondContact O-SG 3.41Å; G78-C91 PolarHBondContact N-SG 2.77Å; Y81-C91 HydrophobicContact CD2-CB 4.01Å; Y81-C91 HydrophobicContact CE2-CB 3.84Å; K87-C91 WeakPolarHBondContact O-CB 3.48Å; K87-C91 PolarHBondContact O-N 3.48Å; K87-C91 VanDerWaalsContact O-N 3.1Å; A88-C91 PolarHBondContact O-N 2.98Å; K89-C91 VanDerWaalsContact C-N 3.29Å; K89-C91 PolarHBondContact O-N 2.91Å; C91-G94 PolarHBondContact O-N 2.85Å; C91-L95 WeakPolarHBondContact O-CB 3.29Å; C91-L95 PolarHBondContact O-N 3.48Å; C91-P420 HydrophobicContact CB-CB 4.4Å; C91-P420 HydrophobicContact CB-CG 3.64Å
92	V	98.2	Very high	97.2	Very high	30 Å²	30	41.9 Å²	41.9	18%	0.182	22%	0.22	C	C	.	.	H	α-helix	trans	-69	-44.1	-178.8	174.3	0	0	0	0	110.4	A88 K89 L95 K96 N137 V139	A88-V92 PolarHBondContact O-N 3.01Å; K89-V92 PolarHBondContact O-N 2.96Å; V92-L95 WeakPolarHBondContact O-CB 3.11Å; V92-L95 PolarHBondContact O-N 2.82Å; V92-K96 PolarHBondContact O-N 3.17Å; V92-N137 HydrophobicContact CG2-CB 4.41Å; V92-N137 WeakPolarHBondContact CG2-O 3.47Å; V92-V139 HydrophobicContact CG2-CG2 4.39Å
93	E	98.2	Very high	97.5	Very high	81 Å²	81	43 Å²	43	38%	0.379	22%	0.219	S	C	.	.	H	α-helix	trans	-62.6	-45.8	173.3	-175.2	-176	163.9	0	0	111.8	K89 L95 K96 K97 A427	K89-E93 WeakPolarHBondContact O-CB 3.43Å; K89-E93 PolarHBondContact O-N 2.77Å; E93-L95 VanDerWaalsContact C-N 3.32Å; E93-L95 PolarHBondContact O-N 3.48Å; E93-K96 PolarHBondContact O-N 3.46Å; E93-K97 HydrophobicContact CG-CD 4.21Å; E93-K97 PolarHBondContact O-N 2.86Å; E93-K97 WeakPolarHBondContact OE1-CE 3.28Å; E93-K97 IonicContact OE1-NZ 3.63Å; E93-A427 HydrophobicContact CB-CB 4.32Å; E93-A427 HydrophobicContact CG-CB 4.14Å
94	G	98.5	Very high	97.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.2	-34.8	179.5	0	0	0	0	0	113.5	L90 C91 K97 S98 T423	L90-G94 VanDerWaalsContact O-CA 3.29Å; L90-G94 WeakPolarHBondContact O-CA 3.32Å; L90-G94 PolarHBondContact O-N 3.36Å; C91-G94 PolarHBondContact O-N 2.85Å; G94-K97 PolarHBondContact O-N 3.38Å; G94-S98 WeakPolarHBondContact O-CB 3.47Å; G94-S98 PolarHBondContact O-N 3.38Å; G94-S98 PolarHBondContact O-OG 3Å; G94-T423 CarbonylContact C-O 3.59Å; G94-T423 VanDerWaalsContact CA-O 3.27Å; G94-T423 WeakPolarHBondContact CA-O 3.4Å
95	L	98.6	Very high	97.7	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-56.9	-51.8	172.8	179.9	71.3	0	0	0	110.9	I75 A77 C91 V92 E93 S98 Y99 P140 E167 T423	I75-L95 HydrophobicContact CG2-CD1 3.48Å; I75-L95 VanDerWaalsContact CG2-CD1 3.48Å; A77-L95 HydrophobicContact CB-CD2 4.08Å; C91-L95 WeakPolarHBondContact O-CB 3.29Å; C91-L95 PolarHBondContact O-N 3.48Å; V92-L95 WeakPolarHBondContact O-CB 3.11Å; V92-L95 PolarHBondContact O-N 2.82Å; E93-L95 VanDerWaalsContact C-N 3.32Å; E93-L95 PolarHBondContact O-N 3.48Å; L95-S98 PolarHBondContact O-N 3.24Å; L95-Y99 HydrophobicContact CD1-CD2 4.21Å; L95-Y99 HydrophobicContact CD1-CE2 3.44Å; L95-Y99 VanDerWaalsContact CD1-CE2 3.44Å; L95-Y99 HydrophobicContact CG-CD2 4.22Å; L95-Y99 HydrophobicContact CG-CE2 3.82Å; L95-Y99 WeakPolarHBondContact O-CD2 3.35Å; L95-Y99 PolarHBondContact O-N 3.33Å; L95-Y99 VanDerWaalsContact O-N 3.16Å; L95-P140 HydrophobicContact CD2-CG 3.87Å; L95-E167 HydrophobicContact CD2-CB 4.07Å; L95-T423 HydrophobicContact CB-CG2 4.33Å; L95-T423 HydrophobicContact CD1-CG2 4.44Å
96	K	98.3	Very high	97.8	Very high	138 Å²	138	50.2 Å²	50.2	60%	0.6	25%	0.25	S	C	*	.	H	α-helix	trans	-60.5	-52.8	179	177.7	178.4	171.6	-179.7	0	110.9	V92 E93 S98 Y99 E100	V92-K96 PolarHBondContact O-N 3.17Å; E93-K96 PolarHBondContact O-N 3.46Å; K96-S98 VanDerWaalsContact C-N 3.25Å; K96-S98 PolarHBondContact O-N 3.01Å; K96-Y99 PolarHBondContact O-N 2.93Å; K96-E100 WeakPolarHBondContact CE-OE1 3.46Å; K96-E100 WeakPolarHBondContact CG-OE1 3.31Å; K96-E100 IonicContact NZ-OE1 2.72Å; K96-E100 WeakPolarHBondContact O-CG 3.27Å; K96-E100 PolarHBondContact O-N 3.18Å
97	K	98.6	Very high	98	Very high	62 Å²	62	47 Å²	47	27%	0.27	23%	0.233	S	C	.	.	H	α-helix	trans	-59.1	-36.5	178.5	-71.4	-179.1	-176.9	-74.6	0	112.5	E93 G94 Y101 L426 A427	E93-K97 HydrophobicContact CG-CD 4.21Å; E93-K97 PolarHBondContact O-N 2.86Å; E93-K97 WeakPolarHBondContact OE1-CE 3.28Å; E93-K97 IonicContact OE1-NZ 3.63Å; G94-K97 PolarHBondContact O-N 3.38Å; K97-Y101 WeakPolarHBondContact O-CB 3.48Å; K97-Y101 PolarHBondContact O-N 2.95Å; K97-L426 HydrophobicContact CB-CB 4.06Å; K97-L426 HydrophobicContact CB-CD1 3.96Å; K97-L426 HydrophobicContact CD-CB 4.08Å; K97-L426 WeakPolarHBondContact O-CD1 3.33Å; K97-A427 HydrophobicContact CD-CB 4.35Å
98	S	98.7	Very high	98.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.3	-49.6	178.5	-68	0	0	0	0	110.8	G94 L95 K96 Y101 F102 T423	G94-S98 WeakPolarHBondContact O-CB 3.47Å; G94-S98 PolarHBondContact O-N 3.38Å; G94-S98 PolarHBondContact O-OG 3Å; L95-S98 PolarHBondContact O-N 3.24Å; K96-S98 VanDerWaalsContact C-N 3.25Å; K96-S98 PolarHBondContact O-N 3.01Å; S98-Y101 PolarHBondContact O-N 3.36Å; S98-F102 WeakPolarHBondContact O-CB 3.4Å; S98-F102 VanDerWaalsContact O-CD1 3.29Å; S98-F102 WeakPolarHBondContact O-CD1 3.42Å; S98-F102 WeakPolarHBondContact O-CD2 3.09Å; S98-F102 WeakPolarHBondContact O-CG 3.46Å; S98-F102 PolarHBondContact O-N 3.44Å; S98-T423 PolarHBondContact OG-O 3.31Å
99	Y	98.7	Very high	98.3	Very high	18 Å²	18	53 Å²	53	7%	0.071	27%	0.267	C	S	.	.	H	α-helix	trans	-63.8	-45.2	178.1	-70.3	-49.1	0	0	0	112.5	I75 L95 K96 Y101 F102 E103 Y109 K111 E167 G169	I75-Y99 HydrophobicContact CD1-CE1 3.72Å; L95-Y99 HydrophobicContact CD1-CD2 4.21Å; L95-Y99 HydrophobicContact CD1-CE2 3.44Å; L95-Y99 VanDerWaalsContact CD1-CE2 3.44Å; L95-Y99 HydrophobicContact CG-CD2 4.22Å; L95-Y99 HydrophobicContact CG-CE2 3.82Å; L95-Y99 WeakPolarHBondContact O-CD2 3.35Å; L95-Y99 PolarHBondContact O-N 3.33Å; L95-Y99 VanDerWaalsContact O-N 3.16Å; K96-Y99 PolarHBondContact O-N 2.93Å; Y99-Y101 VanDerWaalsContact C-N 3.26Å; Y99-Y101 PolarHBondContact O-N 3.09Å; Y99-F102 HydrophobicContact CD1-CD2 4.11Å; Y99-F102 PolarHBondContact O-N 3.27Å; Y99-E103 WeakPolarHBondContact O-CG 3.36Å; Y99-E103 PolarHBondContact O-N 3.41Å; Y99-Y109 AromaticContact CD1-CD2 3.71Å; Y99-Y109 HydrophobicContact CD1-CD2 3.71Å; Y99-Y109 HydrophobicContact CD1-CE1 4.43Å; Y99-Y109 AromaticContact CD1-CE2 3.35Å; Y99-Y109 HydrophobicContact CD1-CE2 3.35Å; Y99-Y109 HydrophobicContact CD1-CG 4.38Å; Y99-Y109 AromaticContact CD1-CZ 3.75Å; Y99-Y109 AromaticContact CE1-CD2 3.44Å; Y99-Y109 HydrophobicContact CE1-CD2 3.44Å; Y99-Y109 VanDerWaalsContact CE1-CD2 3.44Å; Y99-Y109 AromaticContact CE1-CE2 3.4Å; Y99-Y109 HydrophobicContact CE1-CE2 3.4Å; Y99-Y109 HydrophobicContact CE1-CG 4.32Å; Y99-K111 HydrophobicContact CE1-CD 4.46Å; Y99-K111 HydrophobicContact CE1-CG 3.93Å; Y99-K111 HydrophobicContact CE2-CD 4.42Å; Y99-K111 VanDerWaalsContact CE2-CE 3.49Å; Y99-K111 HydrophobicContact CE2-CG 4.47Å; Y99-E167 PolarHBondContact OH-O 2.98Å; Y99-G169 PolarHBondContact OH-N 2.92Å
100	E	98.5	Very high	98.3	Very high	106 Å²	106	52.7 Å²	52.7	50%	0.495	27%	0.265	S	S	.	.	H	α-helix	trans	-56	-43.5	174.3	-70.4	169.8	177.5	0	0	111.3	K96 A104	K96-E100 WeakPolarHBondContact CE-OE1 3.46Å; K96-E100 WeakPolarHBondContact CG-OE1 3.31Å; K96-E100 IonicContact NZ-OE1 2.72Å; K96-E100 WeakPolarHBondContact O-CG 3.27Å; K96-E100 PolarHBondContact O-N 3.18Å; E100-A104 WeakPolarHBondContact O-CB 3.48Å; E100-A104 PolarHBondContact O-N 3.5Å
101	Y	98.7	Very high	98.4	Very high	10 Å²	10	56.7 Å²	56.7	4%	0.039	28%	0.282	C	S	.	.	H	α-helix	trans	-65.6	-44.3	177.3	-178.5	-89.7	0	0	0	112.5	K97 S98 Y99 A104 N105 V107 S179 Y180 N183 L426	K97-Y101 WeakPolarHBondContact O-CB 3.48Å; K97-Y101 PolarHBondContact O-N 2.95Å; S98-Y101 PolarHBondContact O-N 3.36Å; Y99-Y101 VanDerWaalsContact C-N 3.26Å; Y99-Y101 PolarHBondContact O-N 3.09Å; Y101-A104 PolarHBondContact O-N 3.37Å; Y101-N105 WeakPolarHBondContact CD2-ND2 3.07Å; Y101-N105 HydrophobicContact CE1-CB 4.02Å; Y101-N105 VanDerWaalsContact CE2-ND2 3.25Å; Y101-N105 WeakPolarHBondContact CE2-ND2 3.36Å; Y101-N105 WeakPolarHBondContact O-CB 3.3Å; Y101-N105 PolarHBondContact O-N 2.53Å; Y101-N105 PolarHBondContact O-ND2 2.97Å; Y101-V107 HydrophobicContact CE1-CG2 4.17Å; Y101-S179 WeakPolarHBondContact OH-CB 3.32Å; Y101-S179 PolarHBondContact OH-O 3.33Å; Y101-S179 PolarHBondContact OH-OG 3.23Å; Y101-Y180 AromaticContact CD1-CE1 3.73Å; Y101-Y180 HydrophobicContact CD1-CE1 3.73Å; Y101-Y180 HydrophobicContact CD2-CE1 4.08Å; Y101-Y180 AromaticContact CE1-CD1 3.81Å; Y101-Y180 HydrophobicContact CE1-CD1 3.81Å; Y101-Y180 AromaticContact CE1-CE1 3.4Å; Y101-Y180 HydrophobicContact CE1-CE1 3.4Å; Y101-Y180 AromaticContact CE2-CD1 3.95Å; Y101-Y180 HydrophobicContact CE2-CD1 3.95Å; Y101-Y180 AromaticContact CE2-CE1 3.77Å; Y101-Y180 HydrophobicContact CE2-CE1 3.77Å; Y101-Y180 HydrophobicContact CG-CE1 4.08Å; Y101-Y180 AromaticContact CZ-CD1 3.47Å; Y101-Y180 VanDerWaalsContact CZ-CD1 3.47Å; Y101-Y180 AromaticContact CZ-CE1 3.44Å; Y101-Y180 VanDerWaalsContact CZ-CE1 3.44Å; Y101-Y180 WeakPolarHBondContact OH-CD1 3.5Å; Y101-N183 VanDerWaalsContact CE2-OD1 3.27Å; Y101-N183 WeakPolarHBondContact CE2-OD1 2.95Å; Y101-N183 PolarHBondContact OH-OD1 2.91Å; Y101-L426 HydrophobicContact CD2-CD1 4.29Å; Y101-L426 HydrophobicContact CG-CD1 4.02Å
102	F	98.6	Very high	98.3	Very high	1 Å²	1	57.8 Å²	57.8	0%	0.004	29%	0.29	C	S	.	.	H	α-helix	trans	-64	-42.3	-178.3	-59.4	-24.7	0	0	0	111.6	I75 S98 Y99 N105 N106 V107 Y109 V171 W173 V176	I75-F102 HydrophobicContact CD1-CD2 4.47Å; I75-F102 HydrophobicContact CD1-CE2 3.76Å; I75-F102 HydrophobicContact CG1-CE2 4.42Å; S98-F102 WeakPolarHBondContact O-CB 3.4Å; S98-F102 VanDerWaalsContact O-CD1 3.29Å; S98-F102 WeakPolarHBondContact O-CD1 3.42Å; S98-F102 WeakPolarHBondContact O-CD2 3.09Å; S98-F102 WeakPolarHBondContact O-CG 3.46Å; S98-F102 PolarHBondContact O-N 3.44Å; Y99-F102 HydrophobicContact CD1-CD2 4.11Å; Y99-F102 PolarHBondContact O-N 3.27Å; F102-N105 PolarHBondContact O-N 3.37Å; F102-N106 CarbonylContact O-C 3.51Å; F102-N106 WeakPolarHBondContact O-CA 3.19Å; F102-N106 PolarHBondContact O-N 3.22Å; F102-V107 HydrophobicContact CB-CB 4.06Å; F102-V107 HydrophobicContact CD1-CB 3.77Å; F102-V107 HydrophobicContact CD1-CG1 3.9Å; F102-V107 HydrophobicContact CD1-CG2 4.26Å; F102-V107 HydrophobicContact CE1-CG1 4.41Å; F102-V107 HydrophobicContact CG-CB 4.18Å; F102-V107 HydrophobicContact CG-CG1 4.42Å; F102-V107 PolarHBondContact O-N 3.33Å; F102-Y109 HydrophobicContact CB-CD1 3.54Å; F102-Y109 HydrophobicContact CB-CE1 3.82Å; F102-Y109 HydrophobicContact CB-CG 4.42Å; F102-Y109 AromaticContact CD2-CD1 3.84Å; F102-Y109 HydrophobicContact CD2-CD1 3.84Å; F102-Y109 HydrophobicContact CD2-CE1 4.49Å; F102-Y109 AromaticContact CD2-CG 3.88Å; F102-Y109 HydrophobicContact CD2-CG 3.88Å; F102-Y109 HydrophobicContact CG-CD1 4.09Å; F102-V171 HydrophobicContact CE2-CG2 4.42Å; F102-V171 HydrophobicContact CZ-CG1 4.41Å; F102-V171 HydrophobicContact CZ-CG2 4.27Å; F102-W173 HydrophobicContact CE1-CZ3 4.45Å; F102-W173 AromaticContact CZ-CH2 3.92Å; F102-W173 HydrophobicContact CZ-CH2 3.92Å; F102-W173 AromaticContact CZ-CZ3 3.79Å; F102-W173 HydrophobicContact CZ-CZ3 3.79Å; F102-V176 HydrophobicContact CD1-CG2 4.34Å; F102-V176 HydrophobicContact CE1-CB 4.37Å; F102-V176 HydrophobicContact CE1-CG1 3.89Å; F102-V176 HydrophobicContact CE1-CG2 3.5Å; F102-V176 VanDerWaalsContact CE1-CG2 3.5Å; F102-V176 HydrophobicContact CZ-CG2 3.94Å
103	E	98.4	Very high	98.3	Very high	115 Å²	115	56.6 Å²	56.6	54%	0.537	28%	0.284	S	S	.	.	H	α-helix	trans	-61.7	-50.5	173.5	-67.6	-59.1	153.4	0	0	111.3	Y99 N105 N106 Y109	Y99-E103 WeakPolarHBondContact O-CG 3.36Å; Y99-E103 PolarHBondContact O-N 3.41Å; E103-N105 VanDerWaalsContact C-N 3.27Å; E103-N105 PolarHBondContact O-N 2.92Å; E103-N106 PolarHBondContact O-N 3.48Å; E103-Y109 HydrophobicContact CG-CE1 4.44Å; E103-Y109 WeakPolarHBondContact OE1-CE1 3.36Å; E103-Y109 PolarHBondContact OE1-OH 2.84Å
104	A	98.2	Very high	98.4	Very high	62 Å²	62	53 Å²	53	51%	0.512	27%	0.267	S	S	.	.	H	α-helix	trans	-64.5	-29.3	-178.2	0	0	0	0	0	113.5	E100 Y101	E100-A104 WeakPolarHBondContact O-CB 3.48Å; E100-A104 PolarHBondContact O-N 3.5Å; Y101-A104 PolarHBondContact O-N 3.37Å
105	N	97.9	Very high	98.4	Very high	50 Å²	50	53.3 Å²	53.3	27%	0.267	27%	0.268	S	S	.	.	H	α-helix	trans	-109.5	8.7	-175	-66.7	-98.4	0	0	0	113.4	Y101 F102 E103 V107 N183	Y101-N105 WeakPolarHBondContact CD2-ND2 3.07Å; Y101-N105 HydrophobicContact CE1-CB 4.02Å; Y101-N105 VanDerWaalsContact CE2-ND2 3.25Å; Y101-N105 WeakPolarHBondContact CE2-ND2 3.36Å; Y101-N105 WeakPolarHBondContact O-CB 3.3Å; Y101-N105 PolarHBondContact O-N 2.53Å; Y101-N105 PolarHBondContact O-ND2 2.97Å; F102-N105 PolarHBondContact O-N 3.37Å; E103-N105 VanDerWaalsContact C-N 3.27Å; E103-N105 PolarHBondContact O-N 2.92Å; N105-V107 VanDerWaalsContact C-N 3.26Å; N105-V107 HydrophobicContact CB-CG2 4.19Å; N105-V107 PolarHBondContact O-N 2.8Å; N105-N183 PolarHBondContact OD1-ND2 2.95Å
106	N	97.6	Very high	98.4	Very high	145 Å²	145	53 Å²	53	78%	0.775	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	40	-177.4	-58.2	-75.9	0	0	0	113.4	F102 E103 P108	F102-N106 CarbonylContact O-C 3.51Å; F102-N106 WeakPolarHBondContact O-CA 3.19Å; F102-N106 PolarHBondContact O-N 3.22Å; E103-N106 PolarHBondContact O-N 3.48Å; N106-P108 WeakPolarHBondContact O-CD 3.26Å
107	V	98.4	Very high	98.4	Very high	9 Å²	9	46.5 Å²	46.5	6%	0.055	24%	0.238	C	C	.	.			trans	-82.6	122.2	175.2	179	0	0	0	0	108.8	Y101 F102 N105 Y109 V171 T175 V176	Y101-V107 HydrophobicContact CE1-CG2 4.17Å; F102-V107 HydrophobicContact CB-CB 4.06Å; F102-V107 HydrophobicContact CD1-CB 3.77Å; F102-V107 HydrophobicContact CD1-CG1 3.9Å; F102-V107 HydrophobicContact CD1-CG2 4.26Å; F102-V107 HydrophobicContact CE1-CG1 4.41Å; F102-V107 HydrophobicContact CG-CB 4.18Å; F102-V107 HydrophobicContact CG-CG1 4.42Å; F102-V107 PolarHBondContact O-N 3.33Å; N105-V107 VanDerWaalsContact C-N 3.26Å; N105-V107 HydrophobicContact CB-CG2 4.19Å; N105-V107 PolarHBondContact O-N 2.8Å; V107-Y109 WeakPolarHBondContact O-CD1 3.49Å; V107-Y109 PolarHBondContact O-N 3.08Å; V107-V171 HydrophobicContact CG1-CG2 4.14Å; V107-T175 HydrophobicContact CG1-CG2 4.38Å; V107-V176 HydrophobicContact CG1-CG2 3.95Å
108	P	98.3	Very high	98.4	Very high	85 Å²	85	43.5 Å²	43.5	55%	0.552	23%	0.226	S	C	*	.			trans	-63.9	132.8	179.9	-22.1	33.6	0	0	0	111.9	N106 L298	N106-P108 WeakPolarHBondContact O-CD 3.26Å; P108-L298 HydrophobicContact CB-CD1 4.27Å; P108-L298 VanDerWaalsContact O-CD1 3.3Å; P108-L298 WeakPolarHBondContact O-CD1 3.32Å
109	Y	98.6	Very high	98.3	Very high	61 Å²	61	45.1 Å²	45.1	24%	0.239	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	168.1	174	74.4	-86.6	0	0	0	110.5	Y99 F102 E103 V107 K111 I170	Y99-Y109 AromaticContact CD1-CD2 3.71Å; Y99-Y109 HydrophobicContact CD1-CD2 3.71Å; Y99-Y109 HydrophobicContact CD1-CE1 4.43Å; Y99-Y109 AromaticContact CD1-CE2 3.35Å; Y99-Y109 HydrophobicContact CD1-CE2 3.35Å; Y99-Y109 HydrophobicContact CD1-CG 4.38Å; Y99-Y109 AromaticContact CD1-CZ 3.75Å; Y99-Y109 AromaticContact CE1-CD2 3.44Å; Y99-Y109 HydrophobicContact CE1-CD2 3.44Å; Y99-Y109 VanDerWaalsContact CE1-CD2 3.44Å; Y99-Y109 AromaticContact CE1-CE2 3.4Å; Y99-Y109 HydrophobicContact CE1-CE2 3.4Å; Y99-Y109 HydrophobicContact CE1-CG 4.32Å; F102-Y109 HydrophobicContact CB-CD1 3.54Å; F102-Y109 HydrophobicContact CB-CE1 3.82Å; F102-Y109 HydrophobicContact CB-CG 4.42Å; F102-Y109 AromaticContact CD2-CD1 3.84Å; F102-Y109 HydrophobicContact CD2-CD1 3.84Å; F102-Y109 HydrophobicContact CD2-CE1 4.49Å; F102-Y109 AromaticContact CD2-CG 3.88Å; F102-Y109 HydrophobicContact CD2-CG 3.88Å; F102-Y109 HydrophobicContact CG-CD1 4.09Å; E103-Y109 HydrophobicContact CG-CE1 4.44Å; E103-Y109 WeakPolarHBondContact OE1-CE1 3.36Å; E103-Y109 PolarHBondContact OE1-OH 2.84Å; V107-Y109 WeakPolarHBondContact O-CD1 3.49Å; V107-Y109 PolarHBondContact O-N 3.08Å; Y109-K111 HydrophobicContact CD2-CG 4.49Å; Y109-K111 HydrophobicContact CE2-CG 4.04Å; Y109-I170 WeakPolarHBondContact CA-O 3.37Å
110	K	98.4	Very high	98.1	Very high	117 Å²	117	47.7 Å²	47.7	51%	0.509	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	127.5	173.7	-176.6	-179.7	179.3	-176.7	0	111.2	C112 G169 I170 L298	K110-C112 HydrophobicContact CD-CB 4.36Å; K110-C112 HydrophobicContact CG-CB 4.3Å; K110-C112 PolarHBondContact O-N 3.13Å; K110-G169 CarbonylContact O-C 3.58Å; K110-G169 WeakPolarHBondContact O-CA 3.26Å; K110-I170 HydrophobicContact CB-CD1 4.32Å; K110-I170 HydrophobicContact CB-CG1 3.87Å; K110-I170 PolarHBondContact N-O 3.27Å; K110-I170 PolarHBondContact O-N 2.92Å; K110-L298 HydrophobicContact CB-CD2 3.96Å
111	K	97.9	Very high	98.1	Very high	95 Å²	95	49.9 Å²	49.9	41%	0.413	26%	0.26	S	S	.	.			trans	-81.5	82.3	168	-69.3	-177.1	-177.7	-166.2	0	109.9	Y99 Y109 E167	Y99-K111 HydrophobicContact CE1-CD 4.46Å; Y99-K111 HydrophobicContact CE1-CG 3.93Å; Y99-K111 HydrophobicContact CE2-CD 4.42Å; Y99-K111 VanDerWaalsContact CE2-CE 3.49Å; Y99-K111 HydrophobicContact CE2-CG 4.47Å; Y109-K111 HydrophobicContact CD2-CG 4.49Å; Y109-K111 HydrophobicContact CE2-CG 4.04Å; K111-E167 WeakPolarHBondContact CE-OE2 3.49Å; K111-E167 IonicContact NZ-OE2 2.64Å; K111-E167 PolarHBondContact NZ-OE2 2.93Å
112	C	97.8	Very high	97.9	Very high	24 Å²	24	56.6 Å²	56.6	16%	0.162	30%	0.296	C	S	.	.			trans	-90.3	-0.7	179.8	60.7	0	0	0	0	113.9	K110 T168 G277 N278	K110-C112 HydrophobicContact CD-CB 4.36Å; K110-C112 HydrophobicContact CG-CB 4.3Å; K110-C112 PolarHBondContact O-N 3.13Å; C112-T168 PolarHBondContact N-O 3.39Å; C112-G277 WeakPolarHBondContact O-CA 3.31Å; C112-N278 PolarHBondContact SG-ND2 3.38Å
113	G	98.3	Very high	97.8	Very high	5 Å²	5	58.6 Å²	58.6	5%	0.052	31%	0.306	C	S	.	.			trans	71.2	176.4	-178.8	0	0	0	0	0	113.7	S165 T168 N278	G113-S165 CarbonylContact C-O 3.53Å; G113-S165 WeakPolarHBondContact CA-O 3.5Å; G113-T168 VanDerWaalsContact CA-O 3.31Å; G113-T168 WeakPolarHBondContact CA-O 3.28Å; G113-T168 PolarHBondContact N-O 3.2Å; G113-N278 WeakPolarHBondContact O-CB 3.42Å; G113-N278 PolarHBondContact O-N 3.34Å; G113-N278 VanDerWaalsContact O-N 3.11Å; G113-N278 PolarHBondContact O-ND2 3.11Å
114	K	98.6	Very high	97.8	Very high	6 Å²	6	54.8 Å²	54.8	3%	0.026	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	136.4	174.3	176.5	-179.5	-71.3	134	0	111.1	I116 H164 S165 T168 N278 Y280	K114-I116 HydrophobicContact CD-CG1 4.16Å; K114-I116 HydrophobicContact CG-CG1 4.26Å; K114-H164 WeakPolarHBondContact O-CA 3.43Å; K114-S165 PolarHBondContact N-O 2.9Å; K114-S165 PolarHBondContact O-N 3.25Å; K114-T168 HydrophobicContact CB-CG2 3.78Å; K114-T168 HydrophobicContact CD-CG2 4.49Å; K114-T168 VanDerWaalsContact NZ-CG2 3.27Å; K114-T168 PolarHBondContact NZ-OG1 2.81Å; K114-N278 CarbonylContact C-O 3.53Å; K114-N278 VanDerWaalsContact CA-O 3.26Å; K114-N278 WeakPolarHBondContact CA-O 3.45Å; K114-N278 HydrophobicContact CB-CB 3.82Å; K114-N278 HydrophobicContact CG-CB 3.96Å; K114-Y280 HydrophobicContact CD-CD2 3.91Å; K114-Y280 HydrophobicContact CD-CE2 4.38Å; K114-Y280 HydrophobicContact CD-CG 4.11Å; K114-Y280 HydrophobicContact CG-CD2 3.91Å; K114-Y280 HydrophobicContact CG-CG 4.37Å
115	L	98.7	Very high	97.7	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.026	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.4	164.3	-65.5	175.5	0	0	0	109.4	V117 I145 I150 I153 E154 A162 I163 H164 N278 Y280	L115-V117 HydrophobicContact CB-CG2 3.78Å; L115-I145 HydrophobicContact CD2-CD1 3.84Å; L115-I150 HydrophobicContact CD1-CG2 4.13Å; L115-I153 HydrophobicContact CD1-CB 4.36Å; L115-I153 HydrophobicContact CD1-CG2 4.16Å; L115-I153 HydrophobicContact CD2-CD1 4.15Å; L115-I153 HydrophobicContact CD2-CG2 4.31Å; L115-I153 HydrophobicContact CG-CG2 4.32Å; L115-E154 HydrophobicContact CD1-CB 3.64Å; L115-A162 HydrophobicContact CD2-CB 4.37Å; L115-I163 CarbonylContact C-O 3.44Å; L115-I163 WeakPolarHBondContact CA-O 3.46Å; L115-H164 HydrophobicContact CD2-CB 3.86Å; L115-N278 PolarHBondContact N-O 2.92Å; L115-Y280 PolarHBondContact O-N 3.23Å
116	I	98.4	Very high	97.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	112.1	166.5	-53	175	0	0	0	106	V79 Y80 K114 L127 A162 I163 Y280 V282	V79-I116 HydrophobicContact CB-CD1 3.9Å; V79-I116 HydrophobicContact CG1-CD1 3.32Å; V79-I116 HydrophobicContact CG2-CD1 4.41Å; Y80-I116 HydrophobicContact CD2-CD1 4.49Å; Y80-I116 HydrophobicContact CE1-CD1 4.07Å; Y80-I116 HydrophobicContact CE1-CG2 4.38Å; Y80-I116 HydrophobicContact CE2-CD1 3.74Å; Y80-I116 HydrophobicContact CE2-CG1 4.33Å; Y80-I116 VanDerWaalsContact CZ-CD1 3.5Å; Y80-I116 WeakPolarHBondContact OH-CD1 3.48Å; Y80-I116 WeakPolarHBondContact OH-CG1 3.36Å; Y80-I116 WeakPolarHBondContact OH-CG2 3.24Å; K114-I116 HydrophobicContact CD-CG1 4.16Å; K114-I116 HydrophobicContact CG-CG1 4.26Å; I116-L127 HydrophobicContact CB-CD1 4.26Å; I116-L127 HydrophobicContact CG2-CD1 3.89Å; I116-L127 WeakPolarHBondContact O-CD1 3.34Å; I116-A162 CarbonylContact O-C 3.49Å; I116-A162 WeakPolarHBondContact O-CA 3.23Å; I116-A162 VanDerWaalsContact O-CB 3.28Å; I116-A162 WeakPolarHBondContact O-CB 3.34Å; I116-I163 HydrophobicContact CB-CB 4.22Å; I116-I163 HydrophobicContact CD1-CB 4.48Å; I116-I163 HydrophobicContact CD1-CD1 4.46Å; I116-I163 PolarHBondContact N-O 3.2Å; I116-I163 PolarHBondContact O-N 2.71Å; I116-Y280 CarbonylContact C-O 3.54Å; I116-Y280 WeakPolarHBondContact CA-O 3.24Å; I116-V282 HydrophobicContact CG2-CG2 4.32Å
117	V	98.6	Very high	97.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.5	-161.9	-175.4	0	0	0	0	110.4	L115 V119 I150 A162 I279 Y280 Y367	L115-V117 HydrophobicContact CB-CG2 3.78Å; V117-V119 HydrophobicContact CG1-CG1 4.07Å; V117-I150 HydrophobicContact CG1-CD1 3.97Å; V117-A162 HydrophobicContact CG2-CB 4.1Å; V117-I279 HydrophobicContact CG2-CG2 4.2Å; V117-Y280 PolarHBondContact N-O 3Å; V117-Y367 HydrophobicContact CB-CD1 3.88Å; V117-Y367 HydrophobicContact CB-CE1 3.99Å; V117-Y367 HydrophobicContact CG1-CD1 4.1Å; V117-Y367 HydrophobicContact CG1-CE1 4.38Å
118	A	98.1	Very high	97.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	125.4	166.7	0	0	0	0	0	109.3	E123 L124 L127 G159 L160 K161 V282	A118-E123 WeakPolarHBondContact CA-OE2 3.44Å; A118-E123 HydrophobicContact CB-CB 3.91Å; A118-L124 HydrophobicContact CB-CD2 3.85Å; A118-L127 HydrophobicContact CB-CB 4.43Å; A118-L127 HydrophobicContact CB-CD2 3.87Å; A118-G159 CarbonylContact O-C 3.51Å; A118-G159 WeakPolarHBondContact O-CA 3.48Å; A118-L160 PolarHBondContact O-N 2.82Å; A118-K161 PolarHBondContact N-O 2.81Å; A118-V282 HydrophobicContact CB-CG2 4.01Å
119	V	96.9	Very high	97.6	Very high	34 Å²	34	54.1 Å²	54.1	21%	0.206	27%	0.266	C	S	.	.			trans	-112.5	-5.9	179.4	-66.5	0	0	0	0	112.7	V117 E123 K366 Y367	V117-V119 HydrophobicContact CG1-CG1 4.07Å; V119-E123 WeakPolarHBondContact CG2-OE2 3.14Å; V119-E123 PolarHBondContact N-OE2 2.97Å; V119-K366 HydrophobicContact CB-CB 4.47Å; V119-K366 HydrophobicContact CG1-CB 4.43Å; V119-K366 HydrophobicContact CG2-CB 4.15Å; V119-K366 HydrophobicContact CG2-CD 4.09Å; V119-Y367 HydrophobicContact CG1-CD1 3.58Å; V119-Y367 HydrophobicContact CG1-CE1 3.52Å; V119-Y367 HydrophobicContact CG1-CG 4.43Å; V119-Y367 HydrophobicContact CG2-CE1 4.18Å
120	D	95.8	Very high	97.6	Very high	72 Å²	72	51.4 Å²	51.4	39%	0.385	26%	0.256	S	S	.	.	S	Bend	trans	-132.4	146.8	176.2	-167.5	-61.1	0	0	0	109.7	L122 E123 L160	D120-L122 PolarHBondContact O-N 3Å; D120-L122 WeakPolarHBondContact OD1-CB 3.22Å; D120-L122 WeakPolarHBondContact OD1-CG 3.36Å; D120-L122 PolarHBondContact OD1-N 2.9Å; D120-E123 HydrophobicContact CB-CG 4.21Å; D120-E123 PolarHBondContact N-OE2 3.35Å; D120-E123 WeakPolarHBondContact O-CB 3.35Å; D120-E123 PolarHBondContact O-N 3.11Å; D120-L160 VanDerWaalsContact C-CD1 3.46Å
121	E	97.2	Very high	97.6	Very high	151 Å²	151	48.4 Å²	48.4	71%	0.706	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-59.5	-32	178.9	-67.8	-174.5	178.2	0	0	112.2	E123 L124 L160	E121-E123 PolarHBondContact O-N 3.31Å; E121-L124 WeakPolarHBondContact O-CB 3.26Å; E121-L124 PolarHBondContact O-N 2.97Å; E121-L160 HydrophobicContact CG-CD1 4.01Å
122	L	95.6	Very high	97.6	Very high	152 Å²	152	46.1 Å²	46.1	80%	0.796	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-64.8	-19.6	177.2	-63.8	175	0	0	0	113.1	D120	D120-L122 PolarHBondContact O-N 3Å; D120-L122 WeakPolarHBondContact OD1-CB 3.22Å; D120-L122 WeakPolarHBondContact OD1-CG 3.36Å; D120-L122 PolarHBondContact OD1-N 2.9Å
123	E	96.7	Very high	97.6	Very high	43 Å²	43	46.8 Å²	46.8	20%	0.201	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-86.1	-17.8	179.4	-64.5	172.1	168.8	0	0	112.4	A118 V119 D120 E121 Q126 L127 V282	A118-E123 WeakPolarHBondContact CA-OE2 3.44Å; A118-E123 HydrophobicContact CB-CB 3.91Å; V119-E123 WeakPolarHBondContact CG2-OE2 3.14Å; V119-E123 PolarHBondContact N-OE2 2.97Å; D120-E123 HydrophobicContact CB-CG 4.21Å; D120-E123 PolarHBondContact N-OE2 3.35Å; D120-E123 WeakPolarHBondContact O-CB 3.35Å; D120-E123 PolarHBondContact O-N 3.11Å; E121-E123 PolarHBondContact O-N 3.31Å; E123-Q126 PolarHBondContact O-N 3.29Å; E123-L127 PolarHBondContact O-N 2.91Å; E123-V282 HydrophobicContact CB-CB 4.08Å; E123-V282 HydrophobicContact CB-CG1 4.18Å; E123-V282 HydrophobicContact CB-CG2 4.16Å; E123-V282 HydrophobicContact CG-CB 4.38Å
124	L	97.8	Very high	97.6	Very high	35 Å²	35	46.6 Å²	46.6	18%	0.183	24%	0.236	C	C	.	.	H	α-helix	trans	-60.1	-46.2	-174.4	-64.7	174.1	0	0	0	113.7	A118 E121 Q126 L127 E128 L160 K161	A118-L124 HydrophobicContact CB-CD2 3.85Å; E121-L124 WeakPolarHBondContact O-CB 3.26Å; E121-L124 PolarHBondContact O-N 2.97Å; L124-Q126 VanDerWaalsContact C-N 3.28Å; L124-Q126 PolarHBondContact O-N 3.02Å; L124-L127 WeakPolarHBondContact O-CB 3.3Å; L124-L127 PolarHBondContact O-N 3.14Å; L124-E128 WeakPolarHBondContact O-CG 3.1Å; L124-E128 PolarHBondContact O-N 2.86Å; L124-L160 HydrophobicContact CD1-CD1 4.48Å; L124-L160 HydrophobicContact CD2-CB 4.2Å; L124-K161 HydrophobicContact CD2-CB 4.01Å; L124-K161 HydrophobicContact CD2-CD 4.09Å; L124-K161 HydrophobicContact CD2-CG 3.98Å
125	P	96.9	Very high	97.6	Very high	85 Å²	85	51.3 Å²	51.3	55%	0.552	26%	0.258	S	S	*	.	H	α-helix	trans	-62.2	-36.8	178.5	-23.2	35	0	0	0	112.7	E128 K129	P125-E128 PolarHBondContact O-N 2.81Å; P125-K129 WeakPolarHBondContact O-CB 3.3Å; P125-K129 PolarHBondContact O-N 2.96Å
126	Q	96.1	Very high	97.6	Very high	48 Å²	48	56.9 Å²	56.9	22%	0.224	28%	0.284	C	S	.	.	H	α-helix	trans	-72	-36.1	178.1	-178.2	60.4	26	0	0	111.4	E123 L124 K129 L130 V282	E123-Q126 PolarHBondContact O-N 3.29Å; L124-Q126 VanDerWaalsContact C-N 3.28Å; L124-Q126 PolarHBondContact O-N 3.02Å; Q126-K129 PolarHBondContact O-N 2.85Å; Q126-L130 WeakPolarHBondContact O-CG 3.14Å; Q126-L130 PolarHBondContact O-N 3.45Å; Q126-V282 HydrophobicContact CB-CG1 3.75Å; Q126-V282 HydrophobicContact CG-CG1 3.54Å
127	L	97.9	Very high	97.6	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-44.8	172	-171.8	75.1	0	0	0	111.2	I116 A118 E123 L124 K129 L130 Y131 Y144 K161 I163 V282	I116-L127 HydrophobicContact CB-CD1 4.26Å; I116-L127 HydrophobicContact CG2-CD1 3.89Å; I116-L127 WeakPolarHBondContact O-CD1 3.34Å; A118-L127 HydrophobicContact CB-CB 4.43Å; A118-L127 HydrophobicContact CB-CD2 3.87Å; E123-L127 PolarHBondContact O-N 2.91Å; L124-L127 WeakPolarHBondContact O-CB 3.3Å; L124-L127 PolarHBondContact O-N 3.14Å; L127-K129 PolarHBondContact O-N 3.2Å; L127-L130 PolarHBondContact O-N 2.77Å; L127-Y131 PolarHBondContact O-N 2.86Å; L127-Y144 HydrophobicContact CB-CE2 4.5Å; L127-Y144 HydrophobicContact CD2-CE2 3.66Å; L127-Y144 HydrophobicContact CG-CE2 3.78Å; L127-K161 HydrophobicContact CD2-CB 3.93Å; L127-I163 HydrophobicContact CD1-CB 4.5Å; L127-I163 HydrophobicContact CD1-CD1 3.83Å; L127-I163 HydrophobicContact CD1-CG1 3.83Å; L127-I163 HydrophobicContact CG-CD1 4.29Å; L127-I163 HydrophobicContact CG-CG1 4.15Å; L127-I163 WeakPolarHBondContact O-CD1 3.37Å; L127-V282 HydrophobicContact CB-CG2 3.96Å; L127-V282 HydrophobicContact CD1-CG2 3.62Å; L127-V282 HydrophobicContact CG-CG2 4.32Å
128	E	98.2	Very high	97.6	Very high	98 Å²	98	60.1 Å²	60.1	46%	0.458	31%	0.312	S	S	.	.	H	α-helix	trans	-62.2	-42.4	177.1	-71.2	174.4	-176.3	0	0	111.9	L124 P125 L130 Y131 S132 Y144 K161	L124-E128 WeakPolarHBondContact O-CG 3.1Å; L124-E128 PolarHBondContact O-N 2.86Å; P125-E128 PolarHBondContact O-N 2.81Å; E128-L130 VanDerWaalsContact C-N 3.35Å; E128-L130 PolarHBondContact O-N 3.43Å; E128-Y131 WeakPolarHBondContact O-CB 3.19Å; E128-Y131 PolarHBondContact O-N 3.3Å; E128-S132 PolarHBondContact O-N 3.3Å; E128-Y144 HydrophobicContact CG-CE2 4.05Å; E128-Y144 VanDerWaalsContact CG-OH 3.27Å; E128-Y144 WeakPolarHBondContact CG-OH 3.49Å; E128-K161 IonicContact OE1-NZ 3.72Å
129	K	97.4	Very high	97.6	Very high	105 Å²	105	60.5 Å²	60.5	46%	0.457	32%	0.315	S	S	.	.	H	α-helix	trans	-58.6	-45	173.2	-178	177.9	179	178.4	0	112.1	P125 Q126 L127 Y131 S132 F133	P125-K129 WeakPolarHBondContact O-CB 3.3Å; P125-K129 PolarHBondContact O-N 2.96Å; Q126-K129 PolarHBondContact O-N 2.85Å; L127-K129 PolarHBondContact O-N 3.2Å; K129-Y131 VanDerWaalsContact C-N 3.31Å; K129-Y131 PolarHBondContact O-N 2.75Å; K129-S132 WeakPolarHBondContact O-CB 3.47Å; K129-S132 PolarHBondContact O-N 2.86Å; K129-F133 HydrophobicContact CD-CZ 4.36Å; K129-F133 HydrophobicContact CG-CD1 4.47Å; K129-F133 HydrophobicContact CG-CE1 4.08Å; K129-F133 HydrophobicContact CG-CE2 4.47Å; K129-F133 HydrophobicContact CG-CZ 4.1Å; K129-F133 WeakPolarHBondContact O-CD1 3.39Å; K129-F133 WeakPolarHBondContact O-CG 3.35Å; K129-F133 PolarHBondContact O-N 3.37Å
130	L	97.4	Very high	97.6	Very high	4 Å²	4	61 Å²	61	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-64	-36.4	176.8	-75.6	177.9	0	0	0	112.8	Y80 Q126 L127 E128 F133 A134 I163 P283	Y80-L130 HydrophobicContact CD1-CD1 4.18Å; Y80-L130 HydrophobicContact CD1-CD2 4.25Å; Y80-L130 HydrophobicContact CE1-CD1 4.09Å; Q126-L130 WeakPolarHBondContact O-CG 3.14Å; Q126-L130 PolarHBondContact O-N 3.45Å; L127-L130 PolarHBondContact O-N 2.77Å; E128-L130 VanDerWaalsContact C-N 3.35Å; E128-L130 PolarHBondContact O-N 3.43Å; L130-F133 PolarHBondContact O-N 3.1Å; L130-A134 PolarHBondContact O-N 2.82Å; L130-I163 HydrophobicContact CB-CD1 3.68Å; L130-P283 HydrophobicContact CD1-CG 3.73Å; L130-P283 HydrophobicContact CD2-CG 4.47Å
131	Y	98.6	Very high	97.7	Very high	54 Å²	54	63 Å²	63	21%	0.212	33%	0.329	C	S	.	.	H	α-helix	trans	-63.7	-44.6	175.2	-178	-116.8	0	0	0	111	L127 E128 K129 F133 A134 Q135 V142 Y144 I163	L127-Y131 PolarHBondContact O-N 2.86Å; E128-Y131 WeakPolarHBondContact O-CB 3.19Å; E128-Y131 PolarHBondContact O-N 3.3Å; K129-Y131 VanDerWaalsContact C-N 3.31Å; K129-Y131 PolarHBondContact O-N 2.75Å; Y131-F133 VanDerWaalsContact C-N 3.3Å; Y131-F133 PolarHBondContact O-N 3.37Å; Y131-A134 WeakPolarHBondContact O-CB 3.45Å; Y131-A134 PolarHBondContact O-N 2.87Å; Y131-A134 VanDerWaalsContact O-N 3.15Å; Y131-Q135 HydrophobicContact CE1-CG 4.25Å; Y131-Q135 HydrophobicContact CE2-CG 4.33Å; Y131-Q135 WeakPolarHBondContact O-CG 3.34Å; Y131-Q135 PolarHBondContact O-N 3.05Å; Y131-Q135 PolarHBondContact OH-NE2 3Å; Y131-V142 HydrophobicContact CD2-CG2 4.24Å; Y131-V142 HydrophobicContact CE2-CG1 4.15Å; Y131-V142 HydrophobicContact CE2-CG2 4.19Å; Y131-Y144 HydrophobicContact CD1-CD2 4.17Å; Y131-Y144 HydrophobicContact CD1-CG 4.31Å; Y131-Y144 HydrophobicContact CD2-CD2 4.32Å; Y131-Y144 AromaticContact CG-CD2 3.82Å; Y131-Y144 HydrophobicContact CG-CD2 3.82Å; Y131-Y144 HydrophobicContact CG-CG 4.29Å; Y131-I163 HydrophobicContact CD2-CG1 4.26Å; Y131-I163 HydrophobicContact CD2-CG2 4.41Å
132	S	98.3	Very high	97.8	Very high	47 Å²	47	56.8 Å²	56.8	33%	0.329	30%	0.302	S	S	.	.	H	α-helix	trans	-59.3	-40.9	173.4	-176.6	0	0	0	0	112.1	E128 K129 Q135 Q136	E128-S132 PolarHBondContact O-N 3.3Å; K129-S132 WeakPolarHBondContact O-CB 3.47Å; K129-S132 PolarHBondContact O-N 2.86Å; S132-Q135 PolarHBondContact O-N 3.32Å; S132-Q136 VanDerWaalsContact O-CG 3.31Å; S132-Q136 WeakPolarHBondContact O-CG 3.2Å; S132-Q136 PolarHBondContact O-N 3.12Å; S132-Q136 PolarHBondContact O-NE2 2.95Å; S132-Q136 PolarHBondContact OG-NE2 3.1Å
133	F	98	Very high	97.9	Very high	39 Å²	39	51.5 Å²	51.5	17%	0.171	28%	0.277	C	S	.	.	H	α-helix	trans	-62.8	-42.9	174.8	-73.8	4	0	0	0	111.8	P83 K129 L130 Y131 Q135 Q136 N137	P83-F133 HydrophobicContact CG-CB 4.09Å; P83-F133 HydrophobicContact CG-CD1 3.65Å; P83-F133 HydrophobicContact CG-CE1 4.15Å; P83-F133 HydrophobicContact CG-CG 3.87Å; K129-F133 HydrophobicContact CD-CZ 4.36Å; K129-F133 HydrophobicContact CG-CD1 4.47Å; K129-F133 HydrophobicContact CG-CE1 4.08Å; K129-F133 HydrophobicContact CG-CE2 4.47Å; K129-F133 HydrophobicContact CG-CZ 4.1Å; K129-F133 WeakPolarHBondContact O-CD1 3.39Å; K129-F133 WeakPolarHBondContact O-CG 3.35Å; K129-F133 PolarHBondContact O-N 3.37Å; L130-F133 PolarHBondContact O-N 3.1Å; Y131-F133 VanDerWaalsContact C-N 3.3Å; Y131-F133 PolarHBondContact O-N 3.37Å; F133-Q135 VanDerWaalsContact C-N 3.31Å; F133-Q135 PolarHBondContact O-N 3.4Å; F133-Q136 PolarHBondContact O-N 3.41Å; F133-N137 VanDerWaalsContact O-CB 3.3Å; F133-N137 WeakPolarHBondContact O-CB 3.34Å; F133-N137 PolarHBondContact O-N 2.8Å; F133-N137 PolarHBondContact O-ND2 2.85Å
134	A	98.4	Very high	98	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.1	-41.9	176.4	0	0	0	0	0	112	V79 L130 Y131 N137 G138 V139 V142	V79-A134 HydrophobicContact CB-CB 4.36Å; V79-A134 HydrophobicContact CG1-CB 4.08Å; V79-A134 HydrophobicContact CG2-CB 4.17Å; L130-A134 PolarHBondContact O-N 2.82Å; Y131-A134 WeakPolarHBondContact O-CB 3.45Å; Y131-A134 PolarHBondContact O-N 2.87Å; Y131-A134 VanDerWaalsContact O-N 3.15Å; A134-N137 PolarHBondContact O-N 2.92Å; A134-G138 PolarHBondContact O-N 2.95Å; A134-V139 HydrophobicContact CB-CB 4.05Å; A134-V139 HydrophobicContact CB-CG2 3.84Å; A134-V139 WeakPolarHBondContact O-CB 3.42Å; A134-V139 VanDerWaalsContact O-CG2 3.29Å; A134-V139 WeakPolarHBondContact O-CG2 3.28Å; A134-V139 PolarHBondContact O-N 2.9Å; A134-V142 HydrophobicContact CB-CB 4.48Å; A134-V142 HydrophobicContact CB-CG1 4.07Å; A134-V142 HydrophobicContact CB-CG2 3.97Å
135	Q	98.5	Very high	98	Very high	106 Å²	106	51.5 Å²	51.5	50%	0.495	28%	0.275	S	S	.	.	H	α-helix	trans	-63.3	-48.6	175.2	-68.1	177.9	-54.1	0	0	111.6	Y131 S132 F133 N137 G138	Y131-Q135 HydrophobicContact CE1-CG 4.25Å; Y131-Q135 HydrophobicContact CE2-CG 4.33Å; Y131-Q135 WeakPolarHBondContact O-CG 3.34Å; Y131-Q135 PolarHBondContact O-N 3.05Å; Y131-Q135 PolarHBondContact OH-NE2 3Å; S132-Q135 PolarHBondContact O-N 3.32Å; F133-Q135 VanDerWaalsContact C-N 3.31Å; F133-Q135 PolarHBondContact O-N 3.4Å; Q135-N137 VanDerWaalsContact C-N 3.28Å; Q135-N137 PolarHBondContact O-N 2.96Å; Q135-G138 PolarHBondContact O-N 2.89Å
136	Q	98.4	Very high	98.1	Very high	121 Å²	121	50 Å²	50	57%	0.565	27%	0.266	S	S	*	.	H	α-helix	trans	-62.8	-34.1	178.9	-71.4	175.1	61.2	0	0	113	P83 S132 F133 G138	P83-Q136 HydrophobicContact CB-CB 4.03Å; P83-Q136 HydrophobicContact CG-CB 3.86Å; S132-Q136 VanDerWaalsContact O-CG 3.31Å; S132-Q136 WeakPolarHBondContact O-CG 3.2Å; S132-Q136 PolarHBondContact O-N 3.12Å; S132-Q136 PolarHBondContact O-NE2 2.95Å; S132-Q136 PolarHBondContact OG-NE2 3.1Å; F133-Q136 PolarHBondContact O-N 3.41Å; Q136-G138 PolarHBondContact O-N 2.66Å
137	N	98.3	Very high	98.1	Very high	23 Å²	23	48.4 Å²	48.4	12%	0.123	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-10.5	176.4	-68.4	-17.5	0	0	0	112.8	G78 Y81 P83 V92 F133 A134 Q135 V139	G78-N137 PolarHBondContact O-ND2 2.79Å; Y81-N137 PolarHBondContact O-ND2 3.13Å; P83-N137 VanDerWaalsContact CA-OD1 3.25Å; P83-N137 WeakPolarHBondContact CA-OD1 3.24Å; V92-N137 HydrophobicContact CG2-CB 4.41Å; V92-N137 WeakPolarHBondContact CG2-O 3.47Å; F133-N137 VanDerWaalsContact O-CB 3.3Å; F133-N137 WeakPolarHBondContact O-CB 3.34Å; F133-N137 PolarHBondContact O-N 2.8Å; F133-N137 PolarHBondContact O-ND2 2.85Å; A134-N137 PolarHBondContact O-N 2.92Å; Q135-N137 VanDerWaalsContact C-N 3.28Å; Q135-N137 PolarHBondContact O-N 2.96Å; N137-V139 HydrophobicContact CB-CG2 4.14Å
138	G	98	Very high	98	Very high	46 Å²	46	52.6 Å²	52.6	47%	0.474	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	33.1	-175	0	0	0	0	0	113.1	A134 Q135 Q136 P140	A134-G138 PolarHBondContact O-N 2.95Å; Q135-G138 PolarHBondContact O-N 2.89Å; Q136-G138 PolarHBondContact O-N 2.66Å; G138-P140 WeakPolarHBondContact O-CD 3.42Å
139	V	98.3	Very high	98	Very high	8 Å²	8	51.9 Å²	51.9	5%	0.048	28%	0.281	C	S	.	.			trans	-61.4	120.5	175.9	179.7	0	0	0	0	109.1	A77 V79 V92 A134 N137 V142	A77-V139 HydrophobicContact CB-CG1 3.81Å; A77-V139 WeakPolarHBondContact O-CG2 3.43Å; V79-V139 HydrophobicContact CG2-CG1 4.06Å; V79-V139 HydrophobicContact CG2-CG2 4.38Å; V92-V139 HydrophobicContact CG2-CG2 4.39Å; A134-V139 HydrophobicContact CB-CB 4.05Å; A134-V139 HydrophobicContact CB-CG2 3.84Å; A134-V139 WeakPolarHBondContact O-CB 3.42Å; A134-V139 VanDerWaalsContact O-CG2 3.29Å; A134-V139 WeakPolarHBondContact O-CG2 3.28Å; A134-V139 PolarHBondContact O-N 2.9Å; N137-V139 HydrophobicContact CB-CG2 4.14Å; V139-V142 HydrophobicContact CB-CB 4.27Å; V139-V142 HydrophobicContact CB-CG1 4.21Å; V139-V142 HydrophobicContact CG1-CB 4Å; V139-V142 HydrophobicContact CG1-CG1 4.5Å; V139-V142 HydrophobicContact CG1-CG2 4.48Å; V139-V142 WeakPolarHBondContact O-CG1 3.18Å
140	P	97.7	Very high	98	Very high	45 Å²	45	46.9 Å²	46.9	29%	0.292	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	140	-173.8	26.1	-34.7	0	0	0	112	L95 G138 V142 E167	L95-P140 HydrophobicContact CD2-CG 3.87Å; G138-P140 WeakPolarHBondContact O-CD 3.42Å; P140-V142 PolarHBondContact O-N 3.27Å; P140-E167 HydrophobicContact CB-CG 3.96Å; P140-E167 HydrophobicContact CG-CB 3.96Å; P140-E167 HydrophobicContact CG-CG 3.72Å
141	N	98	Very high	98	Very high	113 Å²	113	53.2 Å²	53.2	60%	0.604	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	21.1	172.4	-58.2	-34.8	0	0	0	114.9	P166 E167	N141-P166 HydrophobicContact CB-CG 3.58Å; N141-P166 WeakPolarHBondContact O-CD 3.31Å; N141-P166 WeakPolarHBondContact O-CG 3.49Å; N141-E167 HydrophobicContact CB-CG 4.39Å; N141-E167 PolarHBondContact ND2-OE1 2.97Å
142	V	98.3	Very high	98	Very high	21 Å²	21	56.9 Å²	56.9	13%	0.127	30%	0.301	C	S	.	.			trans	-72.5	133.9	-179	70	0	0	0	0	111.3	Y131 A134 V139 P140 I163 H164	Y131-V142 HydrophobicContact CD2-CG2 4.24Å; Y131-V142 HydrophobicContact CE2-CG1 4.15Å; Y131-V142 HydrophobicContact CE2-CG2 4.19Å; A134-V142 HydrophobicContact CB-CB 4.48Å; A134-V142 HydrophobicContact CB-CG1 4.07Å; A134-V142 HydrophobicContact CB-CG2 3.97Å; V139-V142 HydrophobicContact CB-CB 4.27Å; V139-V142 HydrophobicContact CB-CG1 4.21Å; V139-V142 HydrophobicContact CG1-CB 4Å; V139-V142 HydrophobicContact CG1-CG1 4.5Å; V139-V142 HydrophobicContact CG1-CG2 4.48Å; V139-V142 WeakPolarHBondContact O-CG1 3.18Å; P140-V142 PolarHBondContact O-N 3.27Å; V142-I163 HydrophobicContact CG2-CG2 3.43Å; V142-I163 VanDerWaalsContact CG2-CG2 3.43Å; V142-H164 WeakPolarHBondContact CA-O 3.37Å
143	S	98.6	Very high	97.9	Very high	41 Å²	41	57.7 Å²	57.7	29%	0.287	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	153.7	177.7	64.1	0	0	0	0	112.3	I163 H164	S143-I163 CarbonylContact O-C 3.6Å; S143-I163 WeakPolarHBondContact O-CA 3.36Å; S143-H164 PolarHBondContact N-O 3.14Å; S143-H164 PolarHBondContact O-N 3.42Å
144	Y	98.6	Very high	97.9	Very high	58 Å²	58	56 Å²	56	23%	0.227	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	121.7	173.5	-167.3	-94.4	0	0	0	108.2	L127 E128 Y131 K161 I163	L127-Y144 HydrophobicContact CB-CE2 4.5Å; L127-Y144 HydrophobicContact CD2-CE2 3.66Å; L127-Y144 HydrophobicContact CG-CE2 3.78Å; E128-Y144 HydrophobicContact CG-CE2 4.05Å; E128-Y144 VanDerWaalsContact CG-OH 3.27Å; E128-Y144 WeakPolarHBondContact CG-OH 3.49Å; Y131-Y144 HydrophobicContact CD1-CD2 4.17Å; Y131-Y144 HydrophobicContact CD1-CG 4.31Å; Y131-Y144 HydrophobicContact CD2-CD2 4.32Å; Y131-Y144 AromaticContact CG-CD2 3.82Å; Y131-Y144 HydrophobicContact CG-CD2 3.82Å; Y131-Y144 HydrophobicContact CG-CG 4.29Å; Y144-K161 HydrophobicContact CE1-CB 4.35Å; Y144-K161 HydrophobicContact CE1-CD 3.48Å; Y144-K161 VanDerWaalsContact CE1-CD 3.48Å; Y144-K161 VanDerWaalsContact OH-CD 3.3Å; Y144-K161 WeakPolarHBondContact OH-CD 3.42Å; Y144-I163 HydrophobicContact CD2-CG1 4.06Å
145	I	98.5	Very high	97.9	Very high	20 Å²	20	59.3 Å²	59.3	10%	0.103	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	150	-169	66.4	170.7	0	0	0	111.8	L115 K149 I150 I153 K161 A162 H164	L115-I145 HydrophobicContact CD2-CD1 3.84Å; I145-K149 HydrophobicContact CB-CB 4.04Å; I145-K149 HydrophobicContact CD1-CB 4.3Å; I145-I150 HydrophobicContact CD1-CG1 4.11Å; I145-I150 HydrophobicContact CG1-CG1 4.44Å; I145-I153 HydrophobicContact CD1-CD1 3.69Å; I145-K161 WeakPolarHBondContact O-CA 3.37Å; I145-A162 HydrophobicContact CD1-CB 4.22Å; I145-A162 HydrophobicContact CG1-CB 3.86Å; I145-A162 WeakPolarHBondContact CG1-O 3.48Å; I145-A162 PolarHBondContact N-O 3.09Å; I145-A162 PolarHBondContact O-N 2.68Å; I145-H164 HydrophobicContact CD1-CB 4.24Å; I145-H164 HydrophobicContact CG2-CB 4.45Å
146	S	97.9	Very high	97.8	Very high	52 Å²	52	56.9 Å²	56.9	36%	0.364	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	162.2	173.8	50.6	0	0	0	0	112.1	D148 K149 I150	S146-D148 VanDerWaalsContact C-N 3.29Å; S146-D148 WeakPolarHBondContact CB-OD1 3.45Å; S146-D148 PolarHBondContact O-N 3.12Å; S146-D148 PolarHBondContact OG-OD1 3.28Å; S146-K149 WeakPolarHBondContact O-CB 3.21Å; S146-K149 PolarHBondContact O-N 3.15Å; S146-K149 VanDerWaalsContact O-N 3.09Å; S146-I150 PolarHBondContact O-N 2.88Å
147	G	96.9	Very high	97.8	Very high	15 Å²	15	51.1 Å²	51.1	16%	0.155	28%	0.279	C	S	.	.	H	α-helix	trans	-60.8	-30.2	-176.2	0	0	0	0	0	115.3	I150 G159 L160	G147-I150 WeakPolarHBondContact O-CB 3.39Å; G147-I150 PolarHBondContact O-N 2.7Å; G147-G159 VanDerWaalsContact CA-O 3.31Å; G147-G159 WeakPolarHBondContact CA-O 3.5Å; G147-L160 VanDerWaalsContact CA-O 3.32Å; G147-L160 WeakPolarHBondContact CA-O 3.49Å; G147-L160 PolarHBondContact N-O 2.82Å
148	D	95.7	Very high	97.8	Very high	89 Å²	89	52.2 Å²	52.2	48%	0.476	29%	0.286	S	S	.	.	H	α-helix	trans	-66	-37.6	173.9	59.9	-49	0	0	0	112.2	S146 I150	S146-D148 VanDerWaalsContact C-N 3.29Å; S146-D148 WeakPolarHBondContact CB-OD1 3.45Å; S146-D148 PolarHBondContact O-N 3.12Å; S146-D148 PolarHBondContact OG-OD1 3.28Å; D148-I150 VanDerWaalsContact C-N 3.31Å; D148-I150 PolarHBondContact O-N 3.47Å
149	K	97.9	Very high	97.8	Very high	83 Å²	83	51 Å²	51	36%	0.361	27%	0.274	S	S	.	.	H	α-helix	trans	-72.4	-20.1	177.2	-65.3	-55.7	-172	-177	0	114.1	I145 S146 R151 E152	I145-K149 HydrophobicContact CB-CB 4.04Å; I145-K149 HydrophobicContact CD1-CB 4.3Å; S146-K149 WeakPolarHBondContact O-CB 3.21Å; S146-K149 PolarHBondContact O-N 3.15Å; S146-K149 VanDerWaalsContact O-N 3.09Å; K149-R151 VanDerWaalsContact C-N 3.31Å; K149-R151 PolarHBondContact O-N 3.21Å; K149-E152 VanDerWaalsContact CD-CD 3.4Å; K149-E152 HydrophobicContact CD-CG 4.45Å; K149-E152 VanDerWaalsContact CD-OE1 3.32Å; K149-E152 WeakPolarHBondContact CD-OE1 3.26Å; K149-E152 WeakPolarHBondContact CD-OE2 3.33Å; K149-E152 IonicContact NZ-OE1 2.82Å; K149-E152 PolarHBondContact NZ-OE1 2.74Å; K149-E152 IonicContact NZ-OE2 3.68Å; K149-E152 PolarHBondContact NZ-OE2 2.96Å; K149-E152 PolarHBondContact O-N 3.45Å
150	I	98.6	Very high	97.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-57.4	-46.3	175.3	-67.2	177.2	0	0	0	110.5	L115 V117 I145 S146 G147 D148 E152 I153 E154 C157 A162	L115-I150 HydrophobicContact CD1-CG2 4.13Å; V117-I150 HydrophobicContact CG1-CD1 3.97Å; I145-I150 HydrophobicContact CD1-CG1 4.11Å; I145-I150 HydrophobicContact CG1-CG1 4.44Å; S146-I150 PolarHBondContact O-N 2.88Å; G147-I150 WeakPolarHBondContact O-CB 3.39Å; G147-I150 PolarHBondContact O-N 2.7Å; D148-I150 VanDerWaalsContact C-N 3.31Å; D148-I150 PolarHBondContact O-N 3.47Å; I150-E152 VanDerWaalsContact C-N 3.28Å; I150-E152 PolarHBondContact O-N 3.23Å; I150-I153 PolarHBondContact O-N 3.29Å; I150-I153 VanDerWaalsContact O-N 3.13Å; I150-E154 PolarHBondContact O-N 3.01Å; I150-C157 HydrophobicContact CG2-CB 3.8Å; I150-A162 HydrophobicContact CD1-CB 3.82Å; I150-A162 HydrophobicContact CG1-CB 3.86Å
151	R	97.1	Very high	97.9	Very high	136 Å²	136	55.6 Å²	55.6	51%	0.513	29%	0.292	S	S	.	.	H	α-helix	trans	-71.9	-19.9	-177.3	-72.7	-173	-68.4	-117	-0.9	114	K149 I153 P155 C157	K149-R151 VanDerWaalsContact C-N 3.31Å; K149-R151 PolarHBondContact O-N 3.21Å; R151-I153 VanDerWaalsContact C-N 3.26Å; R151-P155 VanDerWaalsContact O-CA 3.26Å; R151-P155 WeakPolarHBondContact O-CA 3.33Å; R151-C157 WeakPolarHBondContact CG-O 3.49Å
152	E	97.5	Very high	97.9	Very high	131 Å²	131	50.2 Å²	50.2	61%	0.612	26%	0.263	S	S	*	.	H	α-helix	trans	-69	-29.7	171.9	-64.5	-180	-167.7	0	0	111.3	K149 I150	K149-E152 VanDerWaalsContact CD-CD 3.4Å; K149-E152 HydrophobicContact CD-CG 4.45Å; K149-E152 VanDerWaalsContact CD-OE1 3.32Å; K149-E152 WeakPolarHBondContact CD-OE1 3.26Å; K149-E152 WeakPolarHBondContact CD-OE2 3.33Å; K149-E152 IonicContact NZ-OE1 2.82Å; K149-E152 PolarHBondContact NZ-OE1 2.74Å; K149-E152 IonicContact NZ-OE2 3.68Å; K149-E152 PolarHBondContact NZ-OE2 2.96Å; K149-E152 PolarHBondContact O-N 3.45Å; I150-E152 VanDerWaalsContact C-N 3.28Å; I150-E152 PolarHBondContact O-N 3.23Å
153	I	97.6	Very high	98	Very high	65 Å²	65	49.2 Å²	49.2	33%	0.333	26%	0.257	S	S	.	.	H	α-helix	trans	-94.8	-45.9	-179.3	-61.5	167.7	0	0	0	111	L115 I145 I150 R151 H164	L115-I153 HydrophobicContact CD1-CB 4.36Å; L115-I153 HydrophobicContact CD1-CG2 4.16Å; L115-I153 HydrophobicContact CD2-CD1 4.15Å; L115-I153 HydrophobicContact CD2-CG2 4.31Å; L115-I153 HydrophobicContact CG-CG2 4.32Å; I145-I153 HydrophobicContact CD1-CD1 3.69Å; I150-I153 PolarHBondContact O-N 3.29Å; I150-I153 VanDerWaalsContact O-N 3.13Å; R151-I153 VanDerWaalsContact C-N 3.26Å; I153-H164 HydrophobicContact CD1-CB 4.21Å
154	E	98	Very high	98	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.009	25%	0.251	C	S	.	.	S	Bend	trans	-131	91.2	-179.5	-174.1	60.9	-105.8	0	0	109.5	L115 I150 N156 C157 N276 G277 I279	L115-E154 HydrophobicContact CD1-CB 3.64Å; I150-E154 PolarHBondContact O-N 3.01Å; E154-N156 PolarHBondContact O-N 2.96Å; E154-N156 VanDerWaalsContact O-N 3.08Å; E154-C157 HydrophobicContact CB-CB 3.75Å; E154-C157 HydrophobicContact CG-CB 3.47Å; E154-C157 VanDerWaalsContact CG-CB 3.47Å; E154-C157 WeakPolarHBondContact O-CB 3.46Å; E154-C157 PolarHBondContact O-N 2.9Å; E154-N276 PolarHBondContact OE1-N 2.89Å; E154-N276 VanDerWaalsContact OE1-N 3.14Å; E154-N276 WeakPolarHBondContact OE2-CA 3.46Å; E154-N276 WeakPolarHBondContact OE2-CB 3.02Å; E154-N276 PolarHBondContact OE2-N 3Å; E154-G277 PolarHBondContact OE2-N 3.22Å; E154-I279 HydrophobicContact CG-CD1 3.61Å; E154-I279 HydrophobicContact CG-CG1 4.04Å
155	P	97.3	Very high	98	Very high	71 Å²	71	46.1 Å²	46.1	46%	0.461	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-31	-168	-30	36.8	0	0	0	115.8	R151 N276	R151-P155 VanDerWaalsContact O-CA 3.26Å; R151-P155 WeakPolarHBondContact O-CA 3.33Å; P155-N276 WeakPolarHBondContact CD-ND2 3.42Å
156	N	97.5	Very high	97.9	Very high	55 Å²	55	46.8 Å²	46.8	29%	0.294	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-2.7	-179.4	-59.5	-69.5	0	0	0	113.3	E154 L274 V368	E154-N156 PolarHBondContact O-N 2.96Å; E154-N156 VanDerWaalsContact O-N 3.08Å; N156-L274 WeakPolarHBondContact CB-O 3.47Å; N156-L274 PolarHBondContact ND2-O 2.83Å; N156-V368 HydrophobicContact CB-CG1 4.13Å
157	C	98.3	Very high	98	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.236	C	C	.	.			trans	-91.6	140.1	-179.1	-171.1	0	0	0	0	111.7	I150 R151 E154 I279 Y367	I150-C157 HydrophobicContact CG2-CB 3.8Å; R151-C157 WeakPolarHBondContact CG-O 3.49Å; E154-C157 HydrophobicContact CB-CB 3.75Å; E154-C157 HydrophobicContact CG-CB 3.47Å; E154-C157 VanDerWaalsContact CG-CB 3.47Å; E154-C157 WeakPolarHBondContact O-CB 3.46Å; E154-C157 PolarHBondContact O-N 2.9Å; C157-I279 HydrophobicContact CB-CD1 4.07Å; C157-Y367 CarbonylContact C-O 3.57Å; C157-Y367 VanDerWaalsContact CA-O 3.24Å; C157-Y367 WeakPolarHBondContact CA-O 3.36Å
158	V	98.2	Very high	98	Very high	45 Å²	45	45.3 Å²	45.3	27%	0.273	23%	0.229	S	C	.	.			trans	-127.3	151.2	173.8	-56.4	0	0	0	0	110.9	Y367 P369	V158-Y367 PolarHBondContact N-O 3.03Å; V158-P369 HydrophobicContact CG1-CG 4.3Å; V158-P369 HydrophobicContact CG2-CG 3.63Å
159	G	98.2	Very high	98.2	Very high	20 Å²	20	41.1 Å²	41.1	21%	0.206	21%	0.206	C	C	.	.			trans	179.7	170.7	176.2	0	0	0	0	0	111.2	A118 G147	A118-G159 CarbonylContact O-C 3.51Å; A118-G159 WeakPolarHBondContact O-CA 3.48Å; G147-G159 VanDerWaalsContact CA-O 3.31Å; G147-G159 WeakPolarHBondContact CA-O 3.5Å
160	L	98.4	Very high	98.2	Very high	78 Å²	78	37.3 Å²	37.3	41%	0.408	19%	0.19	S	C	.	.	S	Bend	trans	-76.4	-48.3	178.2	-57.8	180	0	0	0	110.9	A118 D120 E121 L124 G147	A118-L160 PolarHBondContact O-N 2.82Å; D120-L160 VanDerWaalsContact C-CD1 3.46Å; E121-L160 HydrophobicContact CG-CD1 4.01Å; L124-L160 HydrophobicContact CD1-CD1 4.48Å; L124-L160 HydrophobicContact CD2-CB 4.2Å; G147-L160 VanDerWaalsContact CA-O 3.32Å; G147-L160 WeakPolarHBondContact CA-O 3.49Å; G147-L160 PolarHBondContact N-O 2.82Å
161	K	98.7	Very high	98.2	Very high	73 Å²	73	37.7 Å²	37.7	32%	0.317	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	162.8	177.5	-60.9	-168	-171.7	171.2	0	109.6	A118 L124 L127 E128 Y144 I145	A118-K161 PolarHBondContact N-O 2.81Å; L124-K161 HydrophobicContact CD2-CB 4.01Å; L124-K161 HydrophobicContact CD2-CD 4.09Å; L124-K161 HydrophobicContact CD2-CG 3.98Å; L127-K161 HydrophobicContact CD2-CB 3.93Å; E128-K161 IonicContact OE1-NZ 3.72Å; Y144-K161 HydrophobicContact CE1-CB 4.35Å; Y144-K161 HydrophobicContact CE1-CD 3.48Å; Y144-K161 VanDerWaalsContact CE1-CD 3.48Å; Y144-K161 VanDerWaalsContact OH-CD 3.3Å; Y144-K161 WeakPolarHBondContact OH-CD 3.42Å; I145-K161 WeakPolarHBondContact O-CA 3.37Å
162	A	98.8	Very high	98.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	158.5	176.7	0	0	0	0	0	113.5	L115 I116 V117 I145 I150	L115-A162 HydrophobicContact CD2-CB 4.37Å; I116-A162 CarbonylContact O-C 3.49Å; I116-A162 WeakPolarHBondContact O-CA 3.23Å; I116-A162 VanDerWaalsContact O-CB 3.28Å; I116-A162 WeakPolarHBondContact O-CB 3.34Å; V117-A162 HydrophobicContact CG2-CB 4.1Å; I145-A162 HydrophobicContact CD1-CB 4.22Å; I145-A162 HydrophobicContact CG1-CB 3.86Å; I145-A162 WeakPolarHBondContact CG1-O 3.48Å; I145-A162 PolarHBondContact N-O 3.09Å; I145-A162 PolarHBondContact O-N 2.68Å; I150-A162 HydrophobicContact CD1-CB 3.82Å; I150-A162 HydrophobicContact CG1-CB 3.86Å
163	I	98.8	Very high	98.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	127.6	158.7	-63.1	162.9	0	0	0	107.7	V79 L115 I116 L127 L130 Y131 V142 S143 Y144	V79-I163 HydrophobicContact CG1-CD1 4.09Å; V79-I163 HydrophobicContact CG1-CG2 4.4Å; L115-I163 CarbonylContact C-O 3.44Å; L115-I163 WeakPolarHBondContact CA-O 3.46Å; I116-I163 HydrophobicContact CB-CB 4.22Å; I116-I163 HydrophobicContact CD1-CB 4.48Å; I116-I163 HydrophobicContact CD1-CD1 4.46Å; I116-I163 PolarHBondContact N-O 3.2Å; I116-I163 PolarHBondContact O-N 2.71Å; L127-I163 HydrophobicContact CD1-CB 4.5Å; L127-I163 HydrophobicContact CD1-CD1 3.83Å; L127-I163 HydrophobicContact CD1-CG1 3.83Å; L127-I163 HydrophobicContact CG-CD1 4.29Å; L127-I163 HydrophobicContact CG-CG1 4.15Å; L127-I163 WeakPolarHBondContact O-CD1 3.37Å; L130-I163 HydrophobicContact CB-CD1 3.68Å; Y131-I163 HydrophobicContact CD2-CG1 4.26Å; Y131-I163 HydrophobicContact CD2-CG2 4.41Å; V142-I163 HydrophobicContact CG2-CG2 3.43Å; V142-I163 VanDerWaalsContact CG2-CG2 3.43Å; S143-I163 CarbonylContact O-C 3.6Å; S143-I163 WeakPolarHBondContact O-CA 3.36Å; Y144-I163 HydrophobicContact CD2-CG1 4.06Å
164	H	98.8	Very high	98.3	Very high	34 Å²	34	28.3 Å²	28.3	16%	0.157	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.3	170	179.7	-136.7	0	0	0	110.4	K114 L115 V142 S143 I145 I153	K114-H164 WeakPolarHBondContact O-CA 3.43Å; L115-H164 HydrophobicContact CD2-CB 3.86Å; V142-H164 WeakPolarHBondContact CA-O 3.37Å; S143-H164 PolarHBondContact N-O 3.14Å; S143-H164 PolarHBondContact O-N 3.42Å; I145-H164 HydrophobicContact CD1-CB 4.24Å; I145-H164 HydrophobicContact CG2-CB 4.45Å; I153-H164 HydrophobicContact CD1-CB 4.21Å
165	S	98.5	Very high	98.4	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	87.7	175.4	175.9	0	0	0	0	108.8	A77 G113 K114 E167 T168	A77-S165 WeakPolarHBondContact CB-OG 3.46Å; G113-S165 CarbonylContact C-O 3.53Å; G113-S165 WeakPolarHBondContact CA-O 3.5Å; K114-S165 PolarHBondContact N-O 2.9Å; K114-S165 PolarHBondContact O-N 3.25Å; S165-E167 VanDerWaalsContact C-N 3.28Å; S165-E167 PolarHBondContact O-N 2.82Å; S165-T168 PolarHBondContact O-N 3.28Å; S165-T168 PolarHBondContact OG-OG1 2.9Å; S165-T168 VanDerWaalsContact OG-OG1 3.13Å
166	P	98.2	Very high	98.4	Very high	34 Å²	34	27.6 Å²	27.6	22%	0.221	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-27.9	-174.2	25.3	-33.8	0	0	0	113	N141 T168	N141-P166 HydrophobicContact CB-CG 3.58Å; N141-P166 WeakPolarHBondContact O-CD 3.31Å; N141-P166 WeakPolarHBondContact O-CG 3.49Å; P166-T168 PolarHBondContact O-N 3Å
167	E	98.2	Very high	98.5	Very high	36 Å²	36	25 Å²	25	17%	0.168	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-0.2	177.3	-58.5	-59	147.2	0	0	113.6	L95 Y99 K111 P140 N141 S165	L95-E167 HydrophobicContact CD2-CB 4.07Å; Y99-E167 PolarHBondContact OH-O 2.98Å; K111-E167 WeakPolarHBondContact CE-OE2 3.49Å; K111-E167 IonicContact NZ-OE2 2.64Å; K111-E167 PolarHBondContact NZ-OE2 2.93Å; P140-E167 HydrophobicContact CB-CG 3.96Å; P140-E167 HydrophobicContact CG-CB 3.96Å; P140-E167 HydrophobicContact CG-CG 3.72Å; N141-E167 HydrophobicContact CB-CG 4.39Å; N141-E167 PolarHBondContact ND2-OE1 2.97Å; S165-E167 VanDerWaalsContact C-N 3.28Å; S165-E167 PolarHBondContact O-N 2.82Å
168	T	98.6	Very high	98.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.15	C	C	.	.			trans	-68.4	136.4	166.5	-66.7	0	0	0	0	108.9	V74 I75 C112 G113 K114 S165 P166	V74-T168 HydrophobicContact CG1-CG2 3.82Å; I75-T168 WeakPolarHBondContact O-CA 3.41Å; I75-T168 VanDerWaalsContact O-CG2 3.3Å; I75-T168 WeakPolarHBondContact O-CG2 3.29Å; C112-T168 PolarHBondContact N-O 3.39Å; G113-T168 VanDerWaalsContact CA-O 3.31Å; G113-T168 WeakPolarHBondContact CA-O 3.28Å; G113-T168 PolarHBondContact N-O 3.2Å; K114-T168 HydrophobicContact CB-CG2 3.78Å; K114-T168 HydrophobicContact CD-CG2 4.49Å; K114-T168 VanDerWaalsContact NZ-CG2 3.27Å; K114-T168 PolarHBondContact NZ-OG1 2.81Å; S165-T168 PolarHBondContact O-N 3.28Å; S165-T168 PolarHBondContact OG-OG1 2.9Å; S165-T168 VanDerWaalsContact OG-OG1 3.13Å; P166-T168 PolarHBondContact O-N 3Å
169	G	98.5	Very high	98.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	-171.3	175.1	0	0	0	0	0	114.3	I75 Y99 K110	I75-G169 PolarHBondContact N-O 2.83Å; I75-G169 PolarHBondContact O-N 2.93Å; Y99-G169 PolarHBondContact OH-N 2.92Å; K110-G169 CarbonylContact O-C 3.58Å; K110-G169 WeakPolarHBondContact O-CA 3.26Å
170	I	98.6	Very high	98.6	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.021	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	144.9	176.1	57.9	171.4	0	0	0	110.4	G73 Y109 K110 T295 P296 L298	G73-I170 CarbonylContact O-C 3.52Å; G73-I170 VanDerWaalsContact O-CA 3.28Å; G73-I170 WeakPolarHBondContact O-CA 3.35Å; Y109-I170 WeakPolarHBondContact CA-O 3.37Å; K110-I170 HydrophobicContact CB-CD1 4.32Å; K110-I170 HydrophobicContact CB-CG1 3.87Å; K110-I170 PolarHBondContact N-O 3.27Å; K110-I170 PolarHBondContact O-N 2.92Å; I170-T295 HydrophobicContact CG2-CG2 4.48Å; I170-P296 HydrophobicContact CD1-CB 4.28Å; I170-P296 HydrophobicContact CD1-CG 4.31Å; I170-P296 WeakPolarHBondContact CD1-O 3.48Å; I170-P296 WeakPolarHBondContact CG2-O 3.48Å; I170-L298 HydrophobicContact CD1-CD2 4.18Å; I170-L298 HydrophobicContact CG1-CD2 4.05Å
171	V	98.7	Very high	98.6	Very high	7 Å²	7	22.5 Å²	22.5	4%	0.042	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	160.9	-179	66.1	0	0	0	0	109.8	G73 I75 F102 V107 W173 V176	G73-V171 CarbonylContact C-O 3.56Å; G73-V171 WeakPolarHBondContact CA-O 3.13Å; G73-V171 PolarHBondContact O-N 3.01Å; G73-V171 VanDerWaalsContact O-O 3.08Å; I75-V171 HydrophobicContact CD1-CB 4.06Å; I75-V171 HydrophobicContact CD1-CG1 4.11Å; I75-V171 HydrophobicContact CG1-CB 4.15Å; I75-V171 HydrophobicContact CG1-CG1 3.66Å; F102-V171 HydrophobicContact CE2-CG2 4.42Å; F102-V171 HydrophobicContact CZ-CG1 4.41Å; F102-V171 HydrophobicContact CZ-CG2 4.27Å; V107-V171 HydrophobicContact CG1-CG2 4.14Å; V171-W173 HydrophobicContact CG1-CD2 3.53Å; V171-W173 HydrophobicContact CG1-CE3 3.93Å; V171-W173 HydrophobicContact CG1-CG 4.01Å; V171-W173 HydrophobicContact CG1-CH2 3.97Å; V171-W173 HydrophobicContact CG1-CZ2 3.58Å; V171-W173 HydrophobicContact CG1-CZ3 4.15Å; V171-V176 HydrophobicContact CG1-CG2 4.41Å; V171-V176 HydrophobicContact CG2-CG2 3.56Å
172	D	98.2	Very high	98.6	Very high	66 Å²	66	26.7 Å²	26.7	35%	0.353	13%	0.134	S	C	.	.			trans	-87.2	104.1	160.9	173.5	20.9	0	0	0	110.2	R174 T175 V176	D172-R174 PolarHBondContact O-N 3.05Å; D172-R174 WeakPolarHBondContact OD1-CB 3.37Å; D172-R174 PolarHBondContact OD1-N 2.86Å; D172-T175 WeakPolarHBondContact O-CB 3.44Å; D172-T175 PolarHBondContact O-N 3.47Å; D172-T175 VanDerWaalsContact O-N 3.1Å; D172-T175 WeakPolarHBondContact OD2-CB 3.37Å; D172-T175 PolarHBondContact OD2-N 3.33Å; D172-T175 PolarHBondContact OD2-OG1 3.42Å; D172-V176 PolarHBondContact O-N 2.83Å; D172-V176 VanDerWaalsContact O-N 3.1Å
173	W	98.4	Very high	98.5	Very high	3 Å²	3	27.5 Å²	27.5	1%	0.011	14%	0.138	C	C	.	.	H	α-helix	trans	-65.3	-19.6	179.7	-70.9	113.3	0	0	0	113.7	I36 S68 N71 V74 I75 F102 V171 V176 T177 A422 T423	I36-W173 HydrophobicContact CD1-CB 4.49Å; I36-W173 HydrophobicContact CD1-CD2 4.24Å; I36-W173 HydrophobicContact CD1-CE3 3.41Å; I36-W173 VanDerWaalsContact CD1-CE3 3.41Å; I36-W173 HydrophobicContact CD1-CZ3 4.03Å; S68-W173 CarbonylContact O-C 3.5Å; S68-W173 WeakPolarHBondContact O-CB 3.43Å; N71-W173 VanDerWaalsContact OD1-CD1 3.23Å; V74-W173 PolarHBondContact O-NE1 2.96Å; I75-W173 HydrophobicContact CB-CZ2 4.22Å; I75-W173 HydrophobicContact CG1-CH2 4.26Å; I75-W173 HydrophobicContact CG1-CZ2 3.79Å; I75-W173 HydrophobicContact CG2-CH2 4.44Å; I75-W173 HydrophobicContact CG2-CZ2 4.34Å; F102-W173 HydrophobicContact CE1-CZ3 4.45Å; F102-W173 AromaticContact CZ-CH2 3.92Å; F102-W173 HydrophobicContact CZ-CH2 3.92Å; F102-W173 AromaticContact CZ-CZ3 3.79Å; F102-W173 HydrophobicContact CZ-CZ3 3.79Å; V171-W173 HydrophobicContact CG1-CD2 3.53Å; V171-W173 HydrophobicContact CG1-CE3 3.93Å; V171-W173 HydrophobicContact CG1-CG 4.01Å; V171-W173 HydrophobicContact CG1-CH2 3.97Å; V171-W173 HydrophobicContact CG1-CZ2 3.58Å; V171-W173 HydrophobicContact CG1-CZ3 4.15Å; W173-V176 HydrophobicContact CE3-CB 3.97Å; W173-V176 HydrophobicContact CE3-CG1 4.05Å; W173-V176 HydrophobicContact CE3-CG2 3.82Å; W173-V176 HydrophobicContact CZ3-CB 4.46Å; W173-V176 HydrophobicContact CZ3-CG1 4.15Å; W173-V176 HydrophobicContact CZ3-CG2 4.16Å; W173-T177 WeakPolarHBondContact O-CB 3.48Å; W173-T177 PolarHBondContact O-N 2.72Å; W173-T177 PolarHBondContact O-OG1 2.59Å; W173-A422 HydrophobicContact CD2-CB 3.58Å; W173-A422 HydrophobicContact CE3-CB 3.96Å; W173-A422 HydrophobicContact CG-CB 3.85Å; W173-A422 HydrophobicContact CZ2-CB 4.26Å; W173-A422 HydrophobicContact CZ3-CB 4.44Å; W173-A422 VanDerWaalsContact CZ3-O 3.32Å; W173-A422 WeakPolarHBondContact CZ3-O 3.44Å; W173-T423 WeakPolarHBondContact CZ2-OG1 3.44Å
174	R	98.2	Very high	98.5	Very high	66 Å²	66	27.5 Å²	27.5	25%	0.249	14%	0.138	C	C	.	.	H	α-helix	trans	-69.9	-46.1	170.5	-171	176.3	-178.2	-98.7	2.7	110.6	E62 L63 S68 D172 V176 T177 L178	E62-R174 IonicContact OE2-CZ 2.68Å; E62-R174 IonicContact OE2-NH2 3.46Å; E62-R174 PolarHBondContact OE2-NH2 2.95Å; L63-R174 PolarHBondContact O-NE 2.84Å; S68-R174 PolarHBondContact O-N 3.1Å; D172-R174 PolarHBondContact O-N 3.05Å; D172-R174 WeakPolarHBondContact OD1-CB 3.37Å; D172-R174 PolarHBondContact OD1-N 2.86Å; R174-V176 VanDerWaalsContact C-N 3.29Å; R174-V176 PolarHBondContact O-N 2.86Å; R174-T177 WeakPolarHBondContact O-CA 3.43Å; R174-T177 VanDerWaalsContact O-CB 3.32Å; R174-T177 WeakPolarHBondContact O-CB 3.43Å; R174-T177 PolarHBondContact O-N 3.3Å; R174-T177 VanDerWaalsContact O-N 3.07Å; R174-L178 HydrophobicContact CG-CD1 4.49Å; R174-L178 WeakPolarHBondContact O-CG 3.36Å; R174-L178 PolarHBondContact O-N 2.8Å
175	T	98.5	Very high	98.5	Very high	59 Å²	59	29.5 Å²	29.5	36%	0.362	15%	0.153	S	C	.	.	H	α-helix	trans	-56.4	-43.5	173.4	-67.5	0	0	0	0	111.4	V107 D172 T177 L178 S179	V107-T175 HydrophobicContact CG1-CG2 4.38Å; D172-T175 WeakPolarHBondContact O-CB 3.44Å; D172-T175 PolarHBondContact O-N 3.47Å; D172-T175 VanDerWaalsContact O-N 3.1Å; D172-T175 WeakPolarHBondContact OD2-CB 3.37Å; D172-T175 PolarHBondContact OD2-N 3.33Å; D172-T175 PolarHBondContact OD2-OG1 3.42Å; T175-T177 PolarHBondContact O-N 3.01Å; T175-L178 PolarHBondContact O-N 3.02Å; T175-S179 PolarHBondContact O-N 2.93Å
176	V	98.8	Very high	98.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.4	-45.7	173.5	179.9	0	0	0	0	111.5	I36 F102 V107 V171 D172 W173 R174 L178 S179 Y180	I36-V176 HydrophobicContact CD1-CB 4.44Å; I36-V176 HydrophobicContact CD1-CG1 4.08Å; F102-V176 HydrophobicContact CD1-CG2 4.34Å; F102-V176 HydrophobicContact CE1-CB 4.37Å; F102-V176 HydrophobicContact CE1-CG1 3.89Å; F102-V176 HydrophobicContact CE1-CG2 3.5Å; F102-V176 VanDerWaalsContact CE1-CG2 3.5Å; F102-V176 HydrophobicContact CZ-CG2 3.94Å; V107-V176 HydrophobicContact CG1-CG2 3.95Å; V171-V176 HydrophobicContact CG1-CG2 4.41Å; V171-V176 HydrophobicContact CG2-CG2 3.56Å; D172-V176 PolarHBondContact O-N 2.83Å; D172-V176 VanDerWaalsContact O-N 3.1Å; W173-V176 HydrophobicContact CE3-CB 3.97Å; W173-V176 HydrophobicContact CE3-CG1 4.05Å; W173-V176 HydrophobicContact CE3-CG2 3.82Å; W173-V176 HydrophobicContact CZ3-CB 4.46Å; W173-V176 HydrophobicContact CZ3-CG1 4.15Å; W173-V176 HydrophobicContact CZ3-CG2 4.16Å; R174-V176 VanDerWaalsContact C-N 3.29Å; R174-V176 PolarHBondContact O-N 2.86Å; V176-L178 VanDerWaalsContact C-N 3.33Å; V176-L178 PolarHBondContact O-N 3.19Å; V176-S179 WeakPolarHBondContact O-CB 3.28Å; V176-S179 PolarHBondContact O-N 2.89Å; V176-S179 VanDerWaalsContact O-N 3.13Å; V176-Y180 HydrophobicContact CG1-CD2 4.43Å; V176-Y180 HydrophobicContact CG1-CE1 3.88Å; V176-Y180 HydrophobicContact CG1-CE2 3.77Å; V176-Y180 VanDerWaalsContact CG1-CZ 3.43Å; V176-Y180 WeakPolarHBondContact CG1-OH 3.47Å; V176-Y180 PolarHBondContact O-N 2.63Å
177	T	98.9	Very high	98.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59	-44	178.7	-59.2	0	0	0	0	111.5	I36 L39 W173 R174 T175 S179 Y180 A181	I36-T177 WeakPolarHBondContact CB-OG1 3.45Å; L39-T177 HydrophobicContact CD1-CG2 3.33Å; W173-T177 WeakPolarHBondContact O-CB 3.48Å; W173-T177 PolarHBondContact O-N 2.72Å; W173-T177 PolarHBondContact O-OG1 2.59Å; R174-T177 WeakPolarHBondContact O-CA 3.43Å; R174-T177 VanDerWaalsContact O-CB 3.32Å; R174-T177 WeakPolarHBondContact O-CB 3.43Å; R174-T177 PolarHBondContact O-N 3.3Å; R174-T177 VanDerWaalsContact O-N 3.07Å; T175-T177 PolarHBondContact O-N 3.01Å; T177-S179 VanDerWaalsContact C-N 3.33Å; T177-S179 PolarHBondContact O-N 3.31Å; T177-Y180 PolarHBondContact O-N 2.76Å; T177-A181 PolarHBondContact O-N 2.9Å
178	L	98.8	Very high	98.2	Very high	67 Å²	67	33.6 Å²	33.6	35%	0.351	20%	0.199	S	C	.	.	H	α-helix	trans	-66.7	-34.8	176.3	-65.2	174.8	0	0	0	112.2	L63 R174 T175 V176 A181 K182	L63-L178 HydrophobicContact CB-CD2 3.94Å; L63-L178 HydrophobicContact CD1-CD2 4.32Å; R174-L178 HydrophobicContact CG-CD1 4.49Å; R174-L178 WeakPolarHBondContact O-CG 3.36Å; R174-L178 PolarHBondContact O-N 2.8Å; T175-L178 PolarHBondContact O-N 3.02Å; V176-L178 VanDerWaalsContact C-N 3.33Å; V176-L178 PolarHBondContact O-N 3.19Å; L178-A181 WeakPolarHBondContact O-CB 3.41Å; L178-A181 PolarHBondContact O-N 3.45Å; L178-K182 PolarHBondContact O-N 3.28Å
179	S	98.7	Very high	98.2	Very high	17 Å²	17	33.9 Å²	33.9	12%	0.119	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-43	172.9	-169.6	0	0	0	0	111.9	Y101 T175 V176 T177 A181 K182 N183	Y101-S179 WeakPolarHBondContact OH-CB 3.32Å; Y101-S179 PolarHBondContact OH-O 3.33Å; Y101-S179 PolarHBondContact OH-OG 3.23Å; T175-S179 PolarHBondContact O-N 2.93Å; V176-S179 WeakPolarHBondContact O-CB 3.28Å; V176-S179 PolarHBondContact O-N 2.89Å; V176-S179 VanDerWaalsContact O-N 3.13Å; T177-S179 VanDerWaalsContact C-N 3.33Å; T177-S179 PolarHBondContact O-N 3.31Å; S179-A181 VanDerWaalsContact C-N 3.3Å; S179-A181 PolarHBondContact O-N 3.04Å; S179-K182 WeakPolarHBondContact O-CB 3.32Å; S179-K182 PolarHBondContact O-N 3.08Å; S179-N183 PolarHBondContact O-N 3.04Å
180	Y	98.8	Very high	98.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.8	-40.5	173.2	-64.2	-17.3	0	0	0	112	I36 A40 Y101 V176 T177 K182 N183 F184 S425 L426	I36-Y180 HydrophobicContact CD1-CE2 4.16Å; I36-Y180 HydrophobicContact CG1-CD2 3.99Å; I36-Y180 HydrophobicContact CG1-CE2 3.66Å; A40-Y180 HydrophobicContact CB-CD2 3.95Å; A40-Y180 HydrophobicContact CB-CE2 3.93Å; Y101-Y180 AromaticContact CD1-CE1 3.73Å; Y101-Y180 HydrophobicContact CD1-CE1 3.73Å; Y101-Y180 HydrophobicContact CD2-CE1 4.08Å; Y101-Y180 AromaticContact CE1-CD1 3.81Å; Y101-Y180 HydrophobicContact CE1-CD1 3.81Å; Y101-Y180 AromaticContact CE1-CE1 3.4Å; Y101-Y180 HydrophobicContact CE1-CE1 3.4Å; Y101-Y180 AromaticContact CE2-CD1 3.95Å; Y101-Y180 HydrophobicContact CE2-CD1 3.95Å; Y101-Y180 AromaticContact CE2-CE1 3.77Å; Y101-Y180 HydrophobicContact CE2-CE1 3.77Å; Y101-Y180 HydrophobicContact CG-CE1 4.08Å; Y101-Y180 AromaticContact CZ-CD1 3.47Å; Y101-Y180 VanDerWaalsContact CZ-CD1 3.47Å; Y101-Y180 AromaticContact CZ-CE1 3.44Å; Y101-Y180 VanDerWaalsContact CZ-CE1 3.44Å; Y101-Y180 WeakPolarHBondContact OH-CD1 3.5Å; V176-Y180 HydrophobicContact CG1-CD2 4.43Å; V176-Y180 HydrophobicContact CG1-CE1 3.88Å; V176-Y180 HydrophobicContact CG1-CE2 3.77Å; V176-Y180 VanDerWaalsContact CG1-CZ 3.43Å; V176-Y180 WeakPolarHBondContact CG1-OH 3.47Å; V176-Y180 PolarHBondContact O-N 2.63Å; T177-Y180 PolarHBondContact O-N 2.76Å; Y180-K182 PolarHBondContact O-N 2.61Å; Y180-N183 PolarHBondContact O-N 3.41Å; Y180-F184 WeakPolarHBondContact O-CB 3.47Å; Y180-F184 PolarHBondContact O-N 3.28Å; Y180-S425 PolarHBondContact OH-OG 2.94Å; Y180-L426 HydrophobicContact CE1-CD1 4.49Å; Y180-L426 HydrophobicContact CE1-CD2 3.81Å; Y180-L426 HydrophobicContact CE1-CG 4.26Å; Y180-L426 HydrophobicContact CE2-CD2 4.5Å; Y180-L426 WeakPolarHBondContact OH-CG 3.49Å
181	A	98.8	Very high	98.1	Very high	6 Å²	6	38.8 Å²	38.8	5%	0.05	23%	0.226	C	C	.	.	H	α-helix	trans	-60.7	-44.3	175.4	0	0	0	0	0	112.5	L39 L63 T177 L178 S179 N183 F184 V185 I191	L39-A181 HydrophobicContact CD1-CB 4.17Å; L39-A181 HydrophobicContact CD2-CB 3.72Å; L63-A181 HydrophobicContact CD1-CB 3.5Å; L63-A181 VanDerWaalsContact CD1-CB 3.5Å; T177-A181 PolarHBondContact O-N 2.9Å; L178-A181 WeakPolarHBondContact O-CB 3.41Å; L178-A181 PolarHBondContact O-N 3.45Å; S179-A181 VanDerWaalsContact C-N 3.3Å; S179-A181 PolarHBondContact O-N 3.04Å; A181-N183 VanDerWaalsContact C-N 3.33Å; A181-N183 PolarHBondContact O-N 3Å; A181-F184 PolarHBondContact O-N 3.39Å; A181-V185 WeakPolarHBondContact O-CG2 3.21Å; A181-V185 PolarHBondContact O-N 2.96Å; A181-I191 HydrophobicContact CB-CD1 3.79Å
182	K	98.4	Very high	98.1	Very high	161 Å²	161	40.1 Å²	40.1	70%	0.7	23%	0.231	S	C	*	.	H	α-helix	trans	-58.7	-45	175.1	-176.8	-176.8	175.7	-173.5	0	111.4	L178 S179 Y180 A186	L178-K182 PolarHBondContact O-N 3.28Å; S179-K182 WeakPolarHBondContact O-CB 3.32Å; S179-K182 PolarHBondContact O-N 3.08Å; Y180-K182 PolarHBondContact O-N 2.61Å; K182-A186 VanDerWaalsContact O-CB 3.32Å; K182-A186 WeakPolarHBondContact O-CB 3.37Å; K182-A186 PolarHBondContact O-N 3.5Å
183	N	97.8	Very high	98	Very high	17 Å²	17	42 Å²	42	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-64	-44.3	177	-68.1	172.4	0	0	0	112	R43 Y101 N105 S179 Y180 A181 V185 A186 S187 F450	R43-N183 HydrophobicContact CG-CB 4.08Å; R43-N183 PolarHBondContact NE-OD1 3.44Å; Y101-N183 VanDerWaalsContact CE2-OD1 3.27Å; Y101-N183 WeakPolarHBondContact CE2-OD1 2.95Å; Y101-N183 PolarHBondContact OH-OD1 2.91Å; N105-N183 PolarHBondContact OD1-ND2 2.95Å; S179-N183 PolarHBondContact O-N 3.04Å; Y180-N183 PolarHBondContact O-N 3.41Å; A181-N183 VanDerWaalsContact C-N 3.33Å; A181-N183 PolarHBondContact O-N 3Å; N183-V185 PolarHBondContact O-N 3.33Å; N183-A186 PolarHBondContact O-N 2.98Å; N183-S187 PolarHBondContact O-N 3.42Å; N183-S187 PolarHBondContact O-OG 2.68Å; N183-F450 HydrophobicContact CB-CE1 4.19Å; N183-F450 HydrophobicContact CB-CE2 4.46Å; N183-F450 HydrophobicContact CB-CZ 3.97Å
184	F	98.5	Very high	97.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60	-45.4	178.4	173.6	-118.3	0	0	0	112.2	A42 A46 F54 L56 Y180 A181 S187 G188 G189 I191	A42-F184 HydrophobicContact CB-CD1 4.35Å; A42-F184 HydrophobicContact CB-CD2 3.71Å; A42-F184 HydrophobicContact CB-CE1 4.36Å; A42-F184 HydrophobicContact CB-CE2 3.71Å; A42-F184 HydrophobicContact CB-CG 4.03Å; A42-F184 HydrophobicContact CB-CZ 4.04Å; A42-F184 WeakPolarHBondContact O-CD2 3.41Å; A46-F184 HydrophobicContact CB-CD2 4Å; A46-F184 HydrophobicContact CB-CE2 4.23Å; F54-F184 HydrophobicContact CB-CE2 3.54Å; F54-F184 HydrophobicContact CB-CZ 3.58Å; F54-F184 HydrophobicContact CG-CE2 4.21Å; L56-F184 HydrophobicContact CB-CE1 3.87Å; L56-F184 HydrophobicContact CB-CZ 4.44Å; Y180-F184 WeakPolarHBondContact O-CB 3.47Å; Y180-F184 PolarHBondContact O-N 3.28Å; A181-F184 PolarHBondContact O-N 3.39Å; F184-S187 PolarHBondContact O-N 3.15Å; F184-G188 PolarHBondContact O-N 3.27Å; F184-G189 VanDerWaalsContact CZ-CA 3.43Å; F184-G189 PolarHBondContact O-N 3.05Å; F184-I191 HydrophobicContact CD1-CD1 4.09Å; F184-I191 HydrophobicContact CD1-CG1 3.8Å; F184-I191 HydrophobicContact CE1-CG1 3.9Å
185	V	98.4	Very high	97.7	Very high	77 Å²	77	39.7 Å²	39.7	47%	0.467	23%	0.23	S	C	.	.	H	α-helix	trans	-65.3	-40.5	176	173.4	0	0	0	0	111.4	A181 N183 S187 G188 G189 I191	A181-V185 WeakPolarHBondContact O-CG2 3.21Å; A181-V185 PolarHBondContact O-N 2.96Å; N183-V185 PolarHBondContact O-N 3.33Å; V185-S187 PolarHBondContact O-N 3.39Å; V185-G188 PolarHBondContact O-N 2.86Å; V185-G189 WeakPolarHBondContact CA-O 3.34Å; V185-I191 HydrophobicContact CG2-CD1 3.77Å; V185-I191 HydrophobicContact CG2-CG1 4Å
186	A	97	Very high	97.6	Very high	82 Å²	82	42.2 Å²	42.2	68%	0.678	24%	0.236	S	C	*	.	H	α-helix	trans	-62.1	-27.4	175.1	0	0	0	0	0	112.9	K182 N183 G188	K182-A186 VanDerWaalsContact O-CB 3.32Å; K182-A186 WeakPolarHBondContact O-CB 3.37Å; K182-A186 PolarHBondContact O-N 3.5Å; N183-A186 PolarHBondContact O-N 2.98Å; A186-G188 VanDerWaalsContact C-N 3.25Å; A186-G188 PolarHBondContact O-N 3.3Å
187	S	95.8	Very high	97.5	Very high	26 Å²	26	42.8 Å²	42.8	18%	0.182	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	4	172.3	-65.3	0	0	0	0	114.5	N183 F184 V185 F450	N183-S187 PolarHBondContact O-N 3.42Å; N183-S187 PolarHBondContact O-OG 2.68Å; F184-S187 PolarHBondContact O-N 3.15Å; V185-S187 PolarHBondContact O-N 3.39Å; S187-F450 WeakPolarHBondContact OG-CE1 3.43Å; S187-F450 WeakPolarHBondContact OG-CZ 3.22Å
188	G	96	Very high	97.3	Very high	48 Å²	48	44.5 Å²	44.5	50%	0.495	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.8	4.7	179.4	0	0	0	0	0	114.8	F184 V185 A186	F184-G188 PolarHBondContact O-N 3.27Å; V185-G188 PolarHBondContact O-N 2.86Å; A186-G188 VanDerWaalsContact C-N 3.25Å; A186-G188 PolarHBondContact O-N 3.3Å
189	G	98.1	Very high	97.1	Very high	5 Å²	5	45 Å²	45	5%	0.052	26%	0.258	C	S	.	.			trans	-69	148.2	173.6	0	0	0	0	0	112.8	F184 V185	F184-G189 VanDerWaalsContact CZ-CA 3.43Å; F184-G189 PolarHBondContact O-N 3.05Å; V185-G189 WeakPolarHBondContact CA-O 3.34Å
190	I	98	Very high	96.9	Very high	69 Å²	69	44.7 Å²	44.7	35%	0.354	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.6	176.7	-56.4	-174.7	0	0	0	109.8	F27 F54 A55 L56 Y192	F27-I190 HydrophobicContact CE1-CB 4.31Å; F27-I190 HydrophobicContact CE1-CD1 3.92Å; F27-I190 HydrophobicContact CE1-CG1 4.31Å; F27-I190 HydrophobicContact CZ-CD1 4.17Å; F54-I190 PolarHBondContact O-N 3.48Å; A55-I190 CarbonylContact C-O 3.59Å; A55-I190 VanDerWaalsContact CA-O 3.31Å; A55-I190 WeakPolarHBondContact CA-O 3.36Å; L56-I190 PolarHBondContact N-O 2.84Å; I190-Y192 HydrophobicContact CB-CE2 4.42Å; I190-Y192 HydrophobicContact CG2-CD1 4.4Å; I190-Y192 HydrophobicContact CG2-CD2 4.24Å; I190-Y192 HydrophobicContact CG2-CE1 3.89Å; I190-Y192 HydrophobicContact CG2-CE2 3.71Å
191	I	98.3	Very high	96.6	Very high	38 Å²	38	45.8 Å²	45.8	20%	0.195	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.2	175.6	-58.4	179.2	0	0	0	109.3	L39 L56 L63 A181 F184 V185 K193	L39-I191 HydrophobicContact CD2-CD1 4.15Å; L56-I191 HydrophobicContact CB-CG1 4.32Å; L56-I191 HydrophobicContact CD2-CG2 3.99Å; L56-I191 WeakPolarHBondContact O-CA 3.29Å; L63-I191 HydrophobicContact CD1-CD1 4.04Å; L63-I191 HydrophobicContact CD1-CG2 4.49Å; L63-I191 HydrophobicContact CD2-CG2 4.02Å; A181-I191 HydrophobicContact CB-CD1 3.79Å; F184-I191 HydrophobicContact CD1-CD1 4.09Å; F184-I191 HydrophobicContact CD1-CG1 3.8Å; F184-I191 HydrophobicContact CE1-CG1 3.9Å; V185-I191 HydrophobicContact CG2-CD1 3.77Å; V185-I191 HydrophobicContact CG2-CG1 4Å; I191-K193 HydrophobicContact CG2-CG 4.08Å
192	Y	97.2	Very high	96.3	Very high	36 Å²	36	51.5 Å²	51.5	14%	0.141	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	107.3	171.3	-62.6	-67.2	0	0	0	110	H25 F27 A55 L56 L57 E58 I190 I226 V229	H25-Y192 PolarHBondContact ND1-OH 2.98Å; F27-Y192 AromaticContact CE2-CE2 3.77Å; F27-Y192 HydrophobicContact CE2-CE2 3.77Å; F27-Y192 AromaticContact CZ-CE2 3.62Å; F27-Y192 HydrophobicContact CZ-CE2 3.62Å; A55-Y192 HydrophobicContact CB-CD2 4.26Å; A55-Y192 HydrophobicContact CB-CE2 4.17Å; L56-Y192 PolarHBondContact O-N 3.06Å; L57-Y192 HydrophobicContact CD2-CD2 3.74Å; L57-Y192 HydrophobicContact CD2-CG 4.32Å; E58-Y192 PolarHBondContact N-O 3.48Å; I190-Y192 HydrophobicContact CB-CE2 4.42Å; I190-Y192 HydrophobicContact CG2-CD1 4.4Å; I190-Y192 HydrophobicContact CG2-CD2 4.24Å; I190-Y192 HydrophobicContact CG2-CE1 3.89Å; I190-Y192 HydrophobicContact CG2-CE2 3.71Å; Y192-I226 HydrophobicContact CD1-CB 4.33Å; Y192-I226 HydrophobicContact CD1-CD1 4.26Å; Y192-I226 HydrophobicContact CD1-CG2 3.6Å; Y192-I226 HydrophobicContact CD2-CD1 4.5Å; Y192-I226 HydrophobicContact CE1-CB 4.42Å; Y192-I226 HydrophobicContact CE1-CD1 3.79Å; Y192-I226 HydrophobicContact CE1-CG2 4.12Å; Y192-I226 HydrophobicContact CE2-CD1 4.06Å; Y192-I226 HydrophobicContact CG-CG2 3.82Å; Y192-V229 HydrophobicContact CD2-CG1 4.36Å; Y192-V229 HydrophobicContact CE2-CG1 4.15Å
193	K	96.3	Very high	96	Very high	104 Å²	104	44.7 Å²	44.7	45%	0.452	26%	0.259	S	S	.	.			trans	-86	165.2	172.2	-55.1	-174.3	-59.5	159.1	0	110.2	E58 E60 E61 I191 F195	E58-K193 CarbonylContact O-C 3.52Å; E58-K193 WeakPolarHBondContact O-CA 3.44Å; E60-K193 WeakPolarHBondContact O-CB 3.08Å; E61-K193 VanDerWaalsContact O-CD 3.23Å; E61-K193 WeakPolarHBondContact O-CD 3.32Å; E61-K193 VanDerWaalsContact O-CE 3.24Å; E61-K193 WeakPolarHBondContact O-CE 3.31Å; E61-K193 PolarHBondContact O-NZ 2.82Å; I191-K193 HydrophobicContact CG2-CG 4.08Å; K193-F195 PolarHBondContact O-N 2.84Å; K193-F195 VanDerWaalsContact O-N 3.14Å
194	S	94.9	Very high	95.7	Very high	19 Å²	19	49.4 Å²	49.4	13%	0.133	29%	0.294	C	S	.	.	S	Bend	trans	54.3	28.3	-174.2	-45	0	0	0	0	112.9	E58 K59 E60 N215 H225	E58-S194 PolarHBondContact O-N 3.14Å; K59-S194 WeakPolarHBondContact O-CA 3.45Å; E60-S194 PolarHBondContact O-N 3.43Å; S194-N215 PolarHBondContact O-ND2 3.13Å; S194-H225 VanDerWaalsContact CB-CE1 3.4Å; S194-H225 WeakPolarHBondContact CB-CE1 3.24Å; S194-H225 WeakPolarHBondContact CB-ND1 3.41Å
195	F	96.1	Very high	95.2	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.009	33%	0.326	C	S	.	.			trans	-107.8	87.7	176.5	-164.6	-75.3	0	0	0	109.4	L57 E58 K59 K193 V197 I213 N215 I226	L57-F195 HydrophobicContact CB-CB 4.47Å; L57-F195 HydrophobicContact CB-CD1 3.81Å; L57-F195 HydrophobicContact CB-CE1 4.46Å; L57-F195 HydrophobicContact CB-CG 4.3Å; L57-F195 HydrophobicContact CD1-CD1 3.93Å; L57-F195 HydrophobicContact CD1-CE1 3.71Å; L57-F195 HydrophobicContact CD1-CZ 4.31Å; L57-F195 HydrophobicContact CD2-CD1 4.08Å; L57-F195 HydrophobicContact CD2-CD2 4.4Å; L57-F195 HydrophobicContact CD2-CE1 4.34Å; L57-F195 HydrophobicContact CD2-CG 4.11Å; L57-F195 HydrophobicContact CG-CD1 4.15Å; L57-F195 HydrophobicContact CG-CE1 4.39Å; E58-F195 CarbonylContact C-O 3.59Å; E58-F195 CarbonylContact O-C 3.5Å; E58-F195 WeakPolarHBondContact O-CA 3.41Å; E58-F195 PolarHBondContact O-N 3.19Å; K59-F195 WeakPolarHBondContact CA-O 3.4Å; K59-F195 PolarHBondContact N-O 2.79Å; K193-F195 PolarHBondContact O-N 2.84Å; K193-F195 VanDerWaalsContact O-N 3.14Å; F195-V197 HydrophobicContact CD1-CG2 4.12Å; F195-V197 HydrophobicContact CE1-CG2 4.01Å; F195-V197 PolarHBondContact O-N 2.93Å; F195-I213 HydrophobicContact CE1-CG2 3.82Å; F195-I213 HydrophobicContact CZ-CG2 4.26Å; F195-N215 HydrophobicContact CD1-CB 4.45Å; F195-N215 HydrophobicContact CD2-CB 3.85Å; F195-N215 HydrophobicContact CE1-CB 4.25Å; F195-N215 HydrophobicContact CE2-CB 3.69Å; F195-N215 HydrophobicContact CG-CB 4.27Å; F195-N215 HydrophobicContact CZ-CB 3.9Å; F195-I226 HydrophobicContact CD2-CG2 3.5Å; F195-I226 VanDerWaalsContact CD2-CG2 3.5Å; F195-I226 HydrophobicContact CE2-CG2 3.86Å
196	K	96.2	Very high	94.7	Very high	112 Å²	112	55.4 Å²	55.4	49%	0.487	32%	0.319	S	S	.	.			trans	-85.6	110.6	174.3	-174.1	173.7	-177.3	170.5	0	108.4	K59 G198 N215 V216	K59-K196 HydrophobicContact CB-CB 3.82Å; K59-K196 HydrophobicContact CB-CG 4.02Å; K196-G198 PolarHBondContact O-N 3.2Å; K196-G198 VanDerWaalsContact O-N 3.09Å; K196-N215 PolarHBondContact N-OD1 2.94Å; K196-N215 CarbonylContact O-C 3.56Å; K196-N215 WeakPolarHBondContact O-CA 3.27Å; K196-N215 PolarHBondContact O-OD1 3.26Å; K196-V216 HydrophobicContact CB-CB 4.4Å; K196-V216 HydrophobicContact CB-CG2 4.22Å; K196-V216 HydrophobicContact CD-CG2 4.14Å; K196-V216 HydrophobicContact CG-CG2 3.94Å; K196-V216 WeakPolarHBondContact O-CG2 3.26Å; K196-V216 PolarHBondContact O-N 3.38Å
197	V	96.4	Very high	94.3	Very high	13 Å²	13	57.5 Å²	57.5	8%	0.079	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	116.7	174.7	177.1	0	0	0	0	109.6	V32 L57 F195 I200 I213 M248	V32-V197 HydrophobicContact CG1-CB 4.36Å; V32-V197 HydrophobicContact CG1-CG2 3.5Å; V32-V197 HydrophobicContact CG2-CG2 4.19Å; L57-V197 HydrophobicContact CD1-CG2 4.31Å; F195-V197 HydrophobicContact CD1-CG2 4.12Å; F195-V197 HydrophobicContact CE1-CG2 4.01Å; F195-V197 PolarHBondContact O-N 2.93Å; V197-I200 HydrophobicContact CG1-CD1 4.12Å; V197-I200 HydrophobicContact CG1-CG1 3.74Å; V197-I213 HydrophobicContact CB-CG2 4.28Å; V197-I213 HydrophobicContact CG1-CG2 3.77Å; V197-I213 HydrophobicContact CG2-CG2 3.71Å; V197-M248 HydrophobicContact CG1-SD 4.22Å
198	G	94.4	Very high	94	Very high	35 Å²	35	61.2 Å²	61.2	36%	0.361	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-30.9	176.8	0	0	0	0	0	113	K196 K214 V216	K196-G198 PolarHBondContact O-N 3.2Å; K196-G198 VanDerWaalsContact O-N 3.09Å; G198-K214 PolarHBondContact N-O 3.03Å; G198-V216 VanDerWaalsContact CA-CG2 3.44Å
199	E	94	Very high	94	Very high	79 Å²	79	61 Å²	61	37%	0.369	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	141.8	-177.9	-166.3	-168.4	152	0	0	109.7	S201 I213 K214	E199-S201 VanDerWaalsContact OE1-CB 3.29Å; E199-S201 WeakPolarHBondContact OE1-CB 3.36Å; E199-S201 PolarHBondContact OE1-OG 2.9Å; E199-I213 WeakPolarHBondContact O-CA 3.43Å; E199-K214 HydrophobicContact CB-CB 4.27Å; E199-K214 PolarHBondContact O-N 3.11Å; E199-K214 IonicContact OE1-NZ 3.06Å; E199-K214 PolarHBondContact OE1-NZ 2.92Å; E199-K214 WeakPolarHBondContact OE2-CD 3.44Å; E199-K214 IonicContact OE2-NZ 3.3Å; E199-K214 PolarHBondContact OE2-NZ 2.88Å
200	I	94.6	Very high	93.8	Very high	10 Å²	10	61.4 Å²	61.4	5%	0.051	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117.5	165.7	-55.1	174.9	0	0	0	106.2	V197 I211 L212 I213 V245 I411	V197-I200 HydrophobicContact CG1-CD1 4.12Å; V197-I200 HydrophobicContact CG1-CG1 3.74Å; I200-I211 HydrophobicContact CG2-CG2 3.7Å; I200-L212 WeakPolarHBondContact CA-O 3.19Å; I200-I213 HydrophobicContact CG1-CG2 4.43Å; I200-V245 HydrophobicContact CD1-CG1 4.32Å; I200-I411 HydrophobicContact CG2-CD1 3.7Å
201	S	93.1	Very high	93.7	Very high	23 Å²	23	58.2 Å²	58.2	16%	0.161	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	168.2	-175.6	47.3	0	0	0	0	111.7	E199 L212	E199-S201 VanDerWaalsContact OE1-CB 3.29Å; E199-S201 WeakPolarHBondContact OE1-CB 3.36Å; E199-S201 PolarHBondContact OE1-OG 2.9Å; S201-L212 PolarHBondContact N-O 2.86Å; S201-L212 PolarHBondContact O-N 3.16Å
202	E	92.7	Very high	93.5	Very high	126 Å²	126	57 Å²	57	59%	0.589	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	144.7	173.8	-174.3	168	-163.1	0	0	110.2	P210 I407	E202-P210 CarbonylContact C-O 3.47Å; E202-P210 VanDerWaalsContact CA-O 3.28Å; E202-P210 WeakPolarHBondContact CA-O 3.35Å; E202-I407 HydrophobicContact CB-CD1 3.58Å; E202-I407 HydrophobicContact CB-CG1 3.77Å; E202-I407 VanDerWaalsContact N-CD1 3.29Å
203	T	92.2	Very high	93.5	Very high	17 Å²	17	55.3 Å²	55.3	10%	0.104	30%	0.298	C	S	.	.			trans	-131.7	140.7	171.3	-178.8	0	0	0	0	110.5	E205 P210 L212 T230	T203-E205 WeakPolarHBondContact OG1-CB 3.1Å; T203-E205 WeakPolarHBondContact OG1-CG 3.14Å; T203-E205 PolarHBondContact OG1-N 3.48Å; T203-P210 PolarHBondContact N-O 2.75Å; T203-L212 HydrophobicContact CG2-CB 3.87Å; T203-T230 HydrophobicContact CG2-CG2 3.98Å
204	S	90.4	Very high	93.4	Very high	117 Å²	117	53.2 Å²	53.2	82%	0.818	29%	0.289	S	S	*	.	S	Bend	trans	-95.9	5.2	173.3	64.4	0	0	0	0	112.7	N206	S204-N206 VanDerWaalsContact C-N 3.26Å; S204-N206 PolarHBondContact O-N 2.97Å
205	E	88.2	Confident	93.4	Very high	142 Å²	142	52.5 Å²	52.5	66%	0.664	28%	0.284	S	S	*	.	S	Bend	trans	-62.9	-34.3	-179.1	-73	-178.1	-179.5	0	0	112.3	T203	T203-E205 WeakPolarHBondContact OG1-CB 3.1Å; T203-E205 WeakPolarHBondContact OG1-CG 3.14Å; T203-E205 PolarHBondContact OG1-N 3.48Å
206	N	89.4	Confident	93.2	Very high	60 Å²	60	56.5 Å²	56.5	32%	0.321	31%	0.308	S	S	.	.			trans	-146	114.2	174.3	-170.7	-26.7	0	0	0	110	S204 D208 Y209	S204-N206 VanDerWaalsContact C-N 3.26Å; S204-N206 PolarHBondContact O-N 2.97Å; N206-D208 PolarHBondContact O-N 3.29Å; N206-D208 WeakPolarHBondContact OD1-CB 3.1Å; N206-D208 PolarHBondContact OD1-N 3.18Å; N206-Y209 HydrophobicContact CB-CD2 4.43Å; N206-Y209 WeakPolarHBondContact ND2-CD2 3.42Å; N206-Y209 CarbonylContact O-C 3.56Å; N206-Y209 VanDerWaalsContact O-C 3.23Å; N206-Y209 PolarHBondContact O-N 3.44Å
207	V	87.6	Confident	92.6	Very high	126 Å²	126	55 Å²	55	76%	0.764	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.6	-178.5	179.8	0	0	0	0	112	Y209	V207-Y209 VanDerWaalsContact C-N 3.26Å; V207-Y209 PolarHBondContact O-N 2.8Å
208	D	90.8	Very high	91.4	Very high	105 Å²	105	56.6 Å²	56.6	56%	0.561	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-13.9	177.2	-64.9	-34	0	0	0	112.7	N206 K232	N206-D208 PolarHBondContact O-N 3.29Å; N206-D208 WeakPolarHBondContact OD1-CB 3.1Å; N206-D208 PolarHBondContact OD1-N 3.18Å; D208-K232 WeakPolarHBondContact O-CE 3.31Å; D208-K232 WeakPolarHBondContact O-CG 3.48Å
209	Y	94.8	Very high	90.1	Very high	43 Å²	43	58.6 Å²	58.6	17%	0.169	34%	0.337	C	S	.	.	S	Bend	trans	-138.2	66	-178.8	-56.4	-85.6	0	0	0	110.4	T26 F27 N206 V207 I211 C231 K232	T26-Y209 HydrophobicContact CG2-CD1 4.39Å; T26-Y209 HydrophobicContact CG2-CD2 3.78Å; T26-Y209 HydrophobicContact CG2-CE2 4.21Å; T26-Y209 HydrophobicContact CG2-CG 3.87Å; F27-Y209 VanDerWaalsContact O-CD1 3.26Å; F27-Y209 WeakPolarHBondContact O-CD1 3.44Å; F27-Y209 WeakPolarHBondContact O-CE1 3.49Å; N206-Y209 HydrophobicContact CB-CD2 4.43Å; N206-Y209 WeakPolarHBondContact ND2-CD2 3.42Å; N206-Y209 CarbonylContact O-C 3.56Å; N206-Y209 VanDerWaalsContact O-C 3.23Å; N206-Y209 PolarHBondContact O-N 3.44Å; V207-Y209 VanDerWaalsContact C-N 3.26Å; V207-Y209 PolarHBondContact O-N 2.8Å; Y209-I211 PolarHBondContact O-N 3.45Å; Y209-C231 CarbonylContact C-O 3.5Å; Y209-C231 VanDerWaalsContact C-O 3.25Å; Y209-C231 WeakPolarHBondContact CA-O 3.5Å; Y209-K232 HydrophobicContact CD1-CG 4.01Å; Y209-K232 HydrophobicContact CE1-CD 4.41Å; Y209-K232 HydrophobicContact CE1-CG 4.26Å
210	P	94.3	Very high	88.6	Confident	14 Å²	14	57.8 Å²	57.8	9%	0.091	34%	0.341	C	S	.	.			trans	-75.5	-7.6	-166.1	31.6	-37.5	0	0	0	114.1	E202 T203	E202-P210 CarbonylContact C-O 3.47Å; E202-P210 VanDerWaalsContact CA-O 3.28Å; E202-P210 WeakPolarHBondContact CA-O 3.35Å; T203-P210 PolarHBondContact N-O 2.75Å
211	I	95.6	Very high	86.9	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.1	179.8	-54.1	173.5	0	0	0	109.5	I200 Y209 I213 T230 C231 K232 V234 R410 I411	I200-I211 HydrophobicContact CG2-CG2 3.7Å; Y209-I211 PolarHBondContact O-N 3.45Å; I211-I213 HydrophobicContact CG2-CG1 4.19Å; I211-T230 CarbonylContact O-C 3.57Å; I211-T230 WeakPolarHBondContact O-CA 3.43Å; I211-C231 WeakPolarHBondContact CB-O 3.3Å; I211-C231 PolarHBondContact N-O 3.42Å; I211-C231 PolarHBondContact O-N 3.39Å; I211-K232 WeakPolarHBondContact CD1-O 3.4Å; I211-V234 HydrophobicContact CD1-CG2 3.85Å; I211-V234 HydrophobicContact CG2-CG2 3.91Å; I211-R410 HydrophobicContact CD1-CB 3.61Å; I211-R410 HydrophobicContact CG1-CB 4.47Å; I211-I411 HydrophobicContact CD1-CG1 4.27Å
212	L	95.1	Very high	85.2	Confident	13 Å²	13	69 Å²	69	7%	0.068	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.5	170.1	179.1	62.4	0	0	0	110	I200 S201 T203 K214 Q228 T230	I200-L212 WeakPolarHBondContact CA-O 3.19Å; S201-L212 PolarHBondContact N-O 2.86Å; S201-L212 PolarHBondContact O-N 3.16Å; T203-L212 HydrophobicContact CG2-CB 3.87Å; L212-K214 HydrophobicContact CD2-CD 4.46Å; L212-K214 HydrophobicContact CD2-CG 4.29Å; L212-K214 HydrophobicContact CG-CG 4.12Å; L212-Q228 HydrophobicContact CD1-CB 3.99Å; L212-Q228 HydrophobicContact CD1-CG 4.24Å; L212-T230 HydrophobicContact CB-CG2 4.49Å; L212-T230 HydrophobicContact CD1-CG2 3.78Å
213	I	95.9	Very high	83.5	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.6	172.1	-50.1	178.7	0	0	0	108.4	A30 L57 F195 V197 E199 I200 I211 Q228 V229 V234	A30-I213 HydrophobicContact CB-CD1 3.86Å; L57-I213 HydrophobicContact CD1-CB 4.35Å; L57-I213 HydrophobicContact CD1-CD1 3.8Å; L57-I213 HydrophobicContact CD1-CG2 3.91Å; F195-I213 HydrophobicContact CE1-CG2 3.82Å; F195-I213 HydrophobicContact CZ-CG2 4.26Å; V197-I213 HydrophobicContact CB-CG2 4.28Å; V197-I213 HydrophobicContact CG1-CG2 3.77Å; V197-I213 HydrophobicContact CG2-CG2 3.71Å; E199-I213 WeakPolarHBondContact O-CA 3.43Å; I200-I213 HydrophobicContact CG1-CG2 4.43Å; I211-I213 HydrophobicContact CG2-CG1 4.19Å; I213-Q228 VanDerWaalsContact O-CA 3.24Å; I213-Q228 WeakPolarHBondContact O-CA 3.33Å; I213-Q228 WeakPolarHBondContact O-CB 3.35Å; I213-V229 HydrophobicContact CB-CG2 3.9Å; I213-V229 HydrophobicContact CD1-CG2 4.24Å; I213-V229 HydrophobicContact CG1-CG2 4.35Å; I213-V229 PolarHBondContact N-O 2.7Å; I213-V229 PolarHBondContact O-N 2.67Å; I213-V234 HydrophobicContact CD1-CG1 4.33Å; I213-V234 HydrophobicContact CD1-CG2 3.79Å; I213-V234 HydrophobicContact CG1-CG2 4.5Å
214	K	95.1	Very high	82.4	Confident	61 Å²	61	73.3 Å²	73.3	27%	0.265	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	138.1	178	-59.2	-175.6	-164.7	147	0	111.8	G198 E199 L212 Q228	G198-K214 PolarHBondContact N-O 3.03Å; E199-K214 HydrophobicContact CB-CB 4.27Å; E199-K214 PolarHBondContact O-N 3.11Å; E199-K214 IonicContact OE1-NZ 3.06Å; E199-K214 PolarHBondContact OE1-NZ 2.92Å; E199-K214 WeakPolarHBondContact OE2-CD 3.44Å; E199-K214 IonicContact OE2-NZ 3.3Å; E199-K214 PolarHBondContact OE2-NZ 2.88Å; L212-K214 HydrophobicContact CD2-CD 4.46Å; L212-K214 HydrophobicContact CD2-CG 4.29Å; L212-K214 HydrophobicContact CG-CG 4.12Å; K214-Q228 HydrophobicContact CG-CB 4.37Å
215	N	94.5	Very high	81.8	Confident	4 Å²	4	71.2 Å²	71.2	2%	0.021	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	139.6	167.2	-166.8	-14.8	0	0	0	109	S194 F195 K196 N217 S218 I226 S227	S194-N215 PolarHBondContact O-ND2 3.13Å; F195-N215 HydrophobicContact CD1-CB 4.45Å; F195-N215 HydrophobicContact CD2-CB 3.85Å; F195-N215 HydrophobicContact CE1-CB 4.25Å; F195-N215 HydrophobicContact CE2-CB 3.69Å; F195-N215 HydrophobicContact CG-CB 4.27Å; F195-N215 HydrophobicContact CZ-CB 3.9Å; K196-N215 PolarHBondContact N-OD1 2.94Å; K196-N215 CarbonylContact O-C 3.56Å; K196-N215 WeakPolarHBondContact O-CA 3.27Å; K196-N215 PolarHBondContact O-OD1 3.26Å; N215-N217 PolarHBondContact O-N 3.27Å; N215-N217 VanDerWaalsContact O-N 3.1Å; N215-N217 PolarHBondContact OD1-N 2.81Å; N215-S218 PolarHBondContact N-OG 2.77Å; N215-S218 VanDerWaalsContact O-CB 3.31Å; N215-S218 WeakPolarHBondContact O-CB 3.2Å; N215-S218 PolarHBondContact O-N 2.84Å; N215-S218 PolarHBondContact O-OG 2.79Å; N215-I226 PolarHBondContact ND2-O 2.65Å; N215-I226 VanDerWaalsContact ND2-O 3.17Å; N215-S227 WeakPolarHBondContact CB-O 3.33Å; N215-S227 PolarHBondContact N-O 2.87Å
216	V	91.9	Very high	81.8	Confident	85 Å²	85	65.8 Å²	65.8	52%	0.515	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-30.8	171.1	173.3	0	0	0	0	111.1	K196 G198 S218	K196-V216 HydrophobicContact CB-CB 4.4Å; K196-V216 HydrophobicContact CB-CG2 4.22Å; K196-V216 HydrophobicContact CD-CG2 4.14Å; K196-V216 HydrophobicContact CG-CG2 3.94Å; K196-V216 WeakPolarHBondContact O-CG2 3.26Å; K196-V216 PolarHBondContact O-N 3.38Å; G198-V216 VanDerWaalsContact CA-CG2 3.44Å; V216-S218 VanDerWaalsContact C-N 3.29Å; V216-S218 PolarHBondContact O-N 2.91Å
217	N	83	Confident	81.9	Confident	81 Å²	81	65.2 Å²	65.2	43%	0.433	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	9.6	-179.6	-62	-32.2	0	0	0	114.5	N215 G219 S220	N215-N217 PolarHBondContact O-N 3.27Å; N215-N217 VanDerWaalsContact O-N 3.1Å; N215-N217 PolarHBondContact OD1-N 2.81Å; N217-G219 PolarHBondContact O-N 3Å; N217-S220 WeakPolarHBondContact O-CB 3.49Å; N217-S220 PolarHBondContact O-N 3.05Å
218	S	71.7	Confident	82.2	Confident	47 Å²	47	62.2 Å²	62.2	33%	0.329	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-20.4	-174.7	-65.2	0	0	0	0	115.4	N215 V216 S227	N215-S218 PolarHBondContact N-OG 2.77Å; N215-S218 VanDerWaalsContact O-CB 3.31Å; N215-S218 WeakPolarHBondContact O-CB 3.2Å; N215-S218 PolarHBondContact O-N 2.84Å; N215-S218 PolarHBondContact O-OG 2.79Å; V216-S218 VanDerWaalsContact C-N 3.29Å; V216-S218 PolarHBondContact O-N 2.91Å; S218-S227 PolarHBondContact OG-O 2.87Å
219	G	66.4	Low	82.5	Confident	76 Å²	76	57.3 Å²	57.3	78%	0.784	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-0.3	176.5	0	0	0	0	0	115.3	N217	N217-G219 PolarHBondContact O-N 3Å
220	S	64	Low	82.6	Confident	63 Å²	63	55.6 Å²	55.6	44%	0.441	34%	0.337	S	S	.	.	S	Bend	trans	-78.9	132.3	178	-174.9	0	0	0	0	110.1	N217 N222	N217-S220 WeakPolarHBondContact O-CB 3.49Å; N217-S220 PolarHBondContact O-N 3.05Å; S220-N222 PolarHBondContact O-N 3.36Å
221	N	58.5	Low	82.7	Confident	165 Å²	165	54.9 Å²	54.9	88%	0.882	33%	0.333	S	S	*	.	S	Bend	trans	-65.7	4	176.6	-73.8	-20.7	0	0	0	114	S223	N221-S223 PolarHBondContact O-N 3.34Å
222	N	56.6	Low	82.7	Confident	104 Å²	104	57.5 Å²	57.5	56%	0.556	34%	0.344	S	S	*	.			trans	-72.5	94.2	172.9	-77.1	-2.2	0	0	0	110.2	S220 T224	S220-N222 PolarHBondContact O-N 3.36Å; N222-T224 PolarHBondContact O-N 3.11Å
223	S	58.5	Low	82.8	Confident	122 Å²	122	59 Å²	59	85%	0.853	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-6	-178.7	67.3	0	0	0	0	115.4	N221	N221-S223 PolarHBondContact O-N 3.34Å
224	T	68.6	Low	82.9	Confident	111 Å²	111	59 Å²	59	68%	0.681	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-19	-176	52.4	0	0	0	0	113.6	N222	N222-T224 PolarHBondContact O-N 3.11Å
225	H	78.2	Confident	83.1	Confident	73 Å²	73	56.1 Å²	56.1	34%	0.338	34%	0.337	S	S	.	.	S	Bend	trans	-106.9	137.4	-178	-60.6	-72.3	0	0	0	111.5	S194 S227	S194-H225 VanDerWaalsContact CB-CE1 3.4Å; S194-H225 WeakPolarHBondContact CB-CE1 3.24Å; S194-H225 WeakPolarHBondContact CB-ND1 3.41Å; H225-S227 PolarHBondContact O-N 3.36Å
226	I	87.1	Confident	83.2	Confident	28 Å²	28	55.9 Å²	55.9	14%	0.144	34%	0.336	C	S	.	.			trans	-64.8	129.5	169.4	-169.5	176.8	0	0	0	109.5	H25 Y192 F195 N215 Q228 V229	H25-I226 HydrophobicContact CB-CD1 3.64Å; H25-I226 WeakPolarHBondContact CD2-CD1 2.84Å; Y192-I226 HydrophobicContact CD1-CB 4.33Å; Y192-I226 HydrophobicContact CD1-CD1 4.26Å; Y192-I226 HydrophobicContact CD1-CG2 3.6Å; Y192-I226 HydrophobicContact CD2-CD1 4.5Å; Y192-I226 HydrophobicContact CE1-CB 4.42Å; Y192-I226 HydrophobicContact CE1-CD1 3.79Å; Y192-I226 HydrophobicContact CE1-CG2 4.12Å; Y192-I226 HydrophobicContact CE2-CD1 4.06Å; Y192-I226 HydrophobicContact CG-CG2 3.82Å; F195-I226 HydrophobicContact CD2-CG2 3.5Å; F195-I226 VanDerWaalsContact CD2-CG2 3.5Å; F195-I226 HydrophobicContact CE2-CG2 3.86Å; N215-I226 PolarHBondContact ND2-O 2.65Å; N215-I226 VanDerWaalsContact ND2-O 3.17Å; I226-Q228 WeakPolarHBondContact CD1-O 3.49Å; I226-Q228 WeakPolarHBondContact CG1-O 3.48Å; I226-V229 HydrophobicContact CD1-CG1 3.59Å
227	S	91.2	Very high	83.6	Confident	47 Å²	47	52.4 Å²	52.4	33%	0.329	32%	0.315	S	S	.	.			trans	-82.4	-37.4	-179.7	53.4	0	0	0	0	111.8	N215 S218 H225	N215-S227 WeakPolarHBondContact CB-O 3.33Å; N215-S227 PolarHBondContact N-O 2.87Å; S218-S227 PolarHBondContact OG-O 2.87Å; H225-S227 PolarHBondContact O-N 3.36Å
228	Q	94.4	Very high	84.3	Confident	64 Å²	64	49.7 Å²	49.7	30%	0.299	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	157.3	-174.9	64.6	-172	6.9	0	0	112.9	L212 I213 K214 I226	L212-Q228 HydrophobicContact CD1-CB 3.99Å; L212-Q228 HydrophobicContact CD1-CG 4.24Å; I213-Q228 VanDerWaalsContact O-CA 3.24Å; I213-Q228 WeakPolarHBondContact O-CA 3.33Å; I213-Q228 WeakPolarHBondContact O-CB 3.35Å; K214-Q228 HydrophobicContact CG-CB 4.37Å; I226-Q228 WeakPolarHBondContact CD1-O 3.49Å; I226-Q228 WeakPolarHBondContact CG1-O 3.48Å
229	V	96.3	Very high	85.4	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.006	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	154.5	170.1	-60	0	0	0	0	109.6	H25 F27 L57 Y192 I213 I226	H25-V229 HydrophobicContact CB-CB 4.5Å; H25-V229 HydrophobicContact CB-CG1 4Å; H25-V229 WeakPolarHBondContact O-CA 3.3Å; H25-V229 WeakPolarHBondContact O-CB 3.35Å; F27-V229 HydrophobicContact CD2-CB 4.25Å; F27-V229 HydrophobicContact CD2-CG1 4.43Å; F27-V229 HydrophobicContact CE2-CB 4.25Å; F27-V229 HydrophobicContact CE2-CG1 3.96Å; L57-V229 HydrophobicContact CD1-CG2 3.86Å; L57-V229 HydrophobicContact CD2-CG1 4.32Å; L57-V229 HydrophobicContact CD2-CG2 4.24Å; Y192-V229 HydrophobicContact CD2-CG1 4.36Å; Y192-V229 HydrophobicContact CE2-CG1 4.15Å; I213-V229 HydrophobicContact CB-CG2 3.9Å; I213-V229 HydrophobicContact CD1-CG2 4.24Å; I213-V229 HydrophobicContact CG1-CG2 4.35Å; I213-V229 PolarHBondContact N-O 2.7Å; I213-V229 PolarHBondContact O-N 2.67Å; I226-V229 HydrophobicContact CD1-CG1 3.59Å
230	T	97.2	Very high	86.9	Confident	7 Å²	7	45.2 Å²	45.2	4%	0.043	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	147.7	169.8	50.5	0	0	0	0	110.8	H25 T26 F27 T203 I211 L212	H25-T230 PolarHBondContact O-N 3.47Å; T26-T230 CarbonylContact C-O 3.18Å; T26-T230 VanDerWaalsContact CA-O 3.3Å; T26-T230 WeakPolarHBondContact CA-O 3.34Å; T26-T230 WeakPolarHBondContact CG2-OG1 3.31Å; F27-T230 PolarHBondContact N-O 3.36Å; T203-T230 HydrophobicContact CG2-CG2 3.98Å; I211-T230 CarbonylContact O-C 3.57Å; I211-T230 WeakPolarHBondContact O-CA 3.43Å; L212-T230 HydrophobicContact CB-CG2 4.49Å; L212-T230 HydrophobicContact CD1-CG2 3.78Å
231	C	97.1	Very high	88.5	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	166.1	-177.1	56.4	0	0	0	0	115.1	F27 A30 Y209 I211 V234	F27-C231 HydrophobicContact CB-CB 4.35Å; F27-C231 CarbonylContact O-C 3.23Å; F27-C231 WeakPolarHBondContact O-CA 3.17Å; F27-C231 WeakPolarHBondContact O-CB 3.42Å; A30-C231 HydrophobicContact CB-CB 4.11Å; Y209-C231 CarbonylContact C-O 3.5Å; Y209-C231 VanDerWaalsContact C-O 3.25Å; Y209-C231 WeakPolarHBondContact CA-O 3.5Å; I211-C231 WeakPolarHBondContact CB-O 3.3Å; I211-C231 PolarHBondContact N-O 3.42Å; I211-C231 PolarHBondContact O-N 3.39Å; C231-V234 VanDerWaalsContact SG-CG2 3.52Å
232	K	96.2	Very high	90.3	Very high	55 Å²	55	35.9 Å²	35.9	24%	0.239	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-45.8	172.8	-69.2	168.1	-176.6	170.3	0	112.1	F27 D28 D208 Y209 I211	F27-K232 PolarHBondContact O-N 3.29Å; D28-K232 HydrophobicContact CB-CD 4.37Å; D28-K232 VanDerWaalsContact O-CB 3.27Å; D28-K232 WeakPolarHBondContact O-CB 3.49Å; D28-K232 PolarHBondContact O-N 3.03Å; D28-K232 WeakPolarHBondContact OD1-CD 3.35Å; D28-K232 WeakPolarHBondContact OD1-CE 3.48Å; D28-K232 IonicContact OD1-NZ 2.8Å; D28-K232 PolarHBondContact OD1-NZ 2.87Å; D208-K232 WeakPolarHBondContact O-CE 3.31Å; D208-K232 WeakPolarHBondContact O-CG 3.48Å; Y209-K232 HydrophobicContact CD1-CG 4.01Å; Y209-K232 HydrophobicContact CE1-CD 4.41Å; Y209-K232 HydrophobicContact CE1-CG 4.26Å; I211-K232 WeakPolarHBondContact CD1-O 3.4Å
233	Y	97	Very high	92.1	Very high	45 Å²	45	31 Å²	31	18%	0.176	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	155.1	-174.2	-52.3	-67	0	0	0	111.6	D28 I29 A30 R410 F440 L442	D28-Y233 PolarHBondContact O-N 3.37Å; D28-Y233 VanDerWaalsContact O-N 3.08Å; I29-Y233 WeakPolarHBondContact CA-O 3.09Å; I29-Y233 HydrophobicContact CG1-CD2 4.32Å; A30-Y233 PolarHBondContact N-O 3.07Å; Y233-R410 WeakPolarHBondContact CA-O 3.17Å; Y233-R410 HydrophobicContact CD1-CB 3.93Å; Y233-R410 HydrophobicContact CD1-CG 4.28Å; Y233-R410 HydrophobicContact CE1-CB 4.45Å; Y233-R410 HydrophobicContact CE1-CG 4.32Å; Y233-F440 HydrophobicContact CD1-CB 3.86Å; Y233-F440 AromaticContact CD1-CD1 3.47Å; Y233-F440 HydrophobicContact CD1-CD1 3.47Å; Y233-F440 VanDerWaalsContact CD1-CD1 3.47Å; Y233-F440 HydrophobicContact CD1-CD2 4.2Å; Y233-F440 AromaticContact CD1-CE1 3.99Å; Y233-F440 HydrophobicContact CD1-CE1 3.99Å; Y233-F440 AromaticContact CD1-CG 3.59Å; Y233-F440 HydrophobicContact CD1-CG 3.59Å; Y233-F440 HydrophobicContact CD2-CB 3.95Å; Y233-F440 HydrophobicContact CD2-CD2 4.27Å; Y233-F440 HydrophobicContact CD2-CG 4.14Å; Y233-F440 HydrophobicContact CE1-CB 3.78Å; Y233-F440 AromaticContact CE1-CD1 3.92Å; Y233-F440 HydrophobicContact CE1-CD1 3.92Å; Y233-F440 HydrophobicContact CE1-CG 4.01Å; Y233-F440 HydrophobicContact CE2-CB 3.84Å; Y233-F440 HydrophobicContact CE2-CG 4.47Å; Y233-F440 HydrophobicContact CG-CB 3.95Å; Y233-F440 AromaticContact CG-CD1 3.98Å; Y233-F440 HydrophobicContact CG-CD1 3.98Å; Y233-F440 AromaticContact CG-CD2 3.84Å; Y233-F440 HydrophobicContact CG-CD2 3.84Å; Y233-F440 HydrophobicContact CG-CE1 4.42Å; Y233-F440 HydrophobicContact CG-CE2 4.29Å; Y233-F440 AromaticContact CG-CG 3.67Å; Y233-F440 HydrophobicContact CG-CG 3.67Å; Y233-F440 PolarHBondContact OH-O 2.77Å; Y233-L442 HydrophobicContact CD2-CD2 4.01Å; Y233-L442 HydrophobicContact CE2-CD2 3.67Å
234	V	97.8	Very high	93.9	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	137.2	178	-177	0	0	0	0	110.6	A30 V32 I211 I213 C231 T236 R410 I411 M412	A30-V234 HydrophobicContact CB-CG2 4.48Å; A30-V234 CarbonylContact O-C 3.46Å; A30-V234 VanDerWaalsContact O-CA 3.29Å; A30-V234 WeakPolarHBondContact O-CA 3.41Å; V32-V234 HydrophobicContact CG2-CG1 3.77Å; I211-V234 HydrophobicContact CD1-CG2 3.85Å; I211-V234 HydrophobicContact CG2-CG2 3.91Å; I213-V234 HydrophobicContact CD1-CG1 4.33Å; I213-V234 HydrophobicContact CD1-CG2 3.79Å; I213-V234 HydrophobicContact CG1-CG2 4.5Å; C231-V234 VanDerWaalsContact SG-CG2 3.52Å; V234-T236 HydrophobicContact CG1-CG2 3.83Å; V234-R410 PolarHBondContact N-O 3.44Å; V234-I411 HydrophobicContact CB-CB 4.43Å; V234-I411 HydrophobicContact CB-CG1 4.06Å; V234-I411 HydrophobicContact CB-CG2 3.96Å; V234-I411 HydrophobicContact CG1-CG2 4.19Å; V234-I411 HydrophobicContact CG2-CG1 4.45Å; V234-I411 WeakPolarHBondContact O-CA 3.42Å; V234-M412 PolarHBondContact O-N 3.06Å
235	I	98.4	Very high	95.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.6	170	-57.9	173	0	0	0	108.3	I29 A30 I31 V32 T41 L45 M412 A436 F440	I29-I235 HydrophobicContact CG2-CD1 4.02Å; I29-I235 HydrophobicContact CG2-CG1 4.13Å; A30-I235 PolarHBondContact O-N 3.18Å; I31-I235 CarbonylContact C-O 3.4Å; I31-I235 VanDerWaalsContact CA-O 3.26Å; I31-I235 WeakPolarHBondContact CA-O 3.07Å; V32-I235 PolarHBondContact N-O 3.29Å; T41-I235 HydrophobicContact CG2-CD1 4.45Å; T41-I235 HydrophobicContact CG2-CG2 4.3Å; L45-I235 HydrophobicContact CD1-CD1 3.5Å; I235-M412 CarbonylContact C-O 3.52Å; I235-M412 WeakPolarHBondContact CA-O 3.31Å; I235-M412 HydrophobicContact CB-CE 4.38Å; I235-M412 HydrophobicContact CD1-CE 3.64Å; I235-M412 HydrophobicContact CG1-CB 4.36Å; I235-M412 HydrophobicContact CG1-CE 3.73Å; I235-M412 HydrophobicContact CG2-CE 3.78Å; I235-A436 HydrophobicContact CD1-CB 3.91Å; I235-F440 HydrophobicContact CD1-CE2 4.22Å; I235-F440 HydrophobicContact CG1-CE2 3.91Å; I235-F440 HydrophobicContact CG1-CZ 4.43Å
236	T	98.3	Very high	95.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128	-178	73.6	0	0	0	0	111	V32 V234 V245 I411 M412 H413 V414	V32-T236 HydrophobicContact CB-CG2 4.12Å; V32-T236 HydrophobicContact CG2-CG2 4.14Å; V234-T236 HydrophobicContact CG1-CG2 3.83Å; T236-V245 HydrophobicContact CG2-CG1 3.78Å; T236-I411 HydrophobicContact CG2-CG2 4.23Å; T236-M412 PolarHBondContact N-O 2.96Å; T236-H413 WeakPolarHBondContact OG1-CA 3.48Å; T236-H413 PolarHBondContact OG1-ND1 3.4Å; T236-V414 WeakPolarHBondContact O-CB 3.5Å; T236-V414 PolarHBondContact O-N 3Å
237	C	98.4	Very high	96.1	Very high	12 Å²	12	22 Å²	22	8%	0.081	11%	0.114	C	C	.	.			trans	-128.6	48	-179.2	-64.8	0	0	0	0	109.5	V32 V37 G38 G239	V32-C237 CarbonylContact O-C 3.55Å; V32-C237 PolarHBondContact O-N 3.44Å; V37-C237 HydrophobicContact CG1-CB 4.31Å; G38-C237 VanDerWaalsContact CA-CB 3.47Å; C237-G239 VanDerWaalsContact C-N 3.34Å; C237-G239 PolarHBondContact O-N 2.93Å
238	T	97.7	Very high	96.1	Very high	23 Å²	23	23.3 Å²	23.3	14%	0.141	12%	0.116	C	C	.	.			trans	-91.1	13.1	-163.5	56	0	0	0	0	115	V32 L240 Q241 S242 V245	V32-T238 HydrophobicContact CB-CG2 4.04Å; V32-T238 HydrophobicContact CG1-CG2 3.57Å; V32-T238 VanDerWaalsContact O-CG2 3.3Å; V32-T238 WeakPolarHBondContact O-CG2 3.21Å; T238-L240 PolarHBondContact O-N 3.25Å; T238-L240 VanDerWaalsContact O-N 3.09Å; T238-Q241 PolarHBondContact O-N 3.02Å; T238-Q241 PolarHBondContact OG1-O 3.29Å; T238-S242 VanDerWaalsContact OG1-CA 3.24Å; T238-S242 WeakPolarHBondContact OG1-CA 3.4Å; T238-S242 PolarHBondContact OG1-N 3.36Å; T238-V245 HydrophobicContact CG2-CB 4.43Å; T238-V245 HydrophobicContact CG2-CG1 4.39Å; T238-V245 HydrophobicContact CG2-CG2 4.05Å
239	G	96.6	Very high	95.7	Very high	26 Å²	26	20.9 Å²	20.9	27%	0.268	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	50.6	-113.7	168.9	0	0	0	0	0	113.4	Q67 C237 Q241 S242	Q67-G239 VanDerWaalsContact OE1-CA 3.25Å; C237-G239 VanDerWaalsContact C-N 3.34Å; C237-G239 PolarHBondContact O-N 2.93Å; G239-Q241 PolarHBondContact O-N 2.81Å; G239-S242 WeakPolarHBondContact O-CB 3.12Å; G239-S242 PolarHBondContact O-N 3.1Å; G239-S242 PolarHBondContact O-OG 3.24Å
240	L	96.8	Very high	95.1	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.016	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-57.3	-14.9	176.8	-74.2	158.4	0	0	0	114.9	Q67 T238 P259 R314 E315 I383 A385	Q67-L240 HydrophobicContact CG-CD1 3.76Å; Q67-L240 HydrophobicContact CG-CG 3.99Å; Q67-L240 VanDerWaalsContact OE1-N 3.14Å; T238-L240 PolarHBondContact O-N 3.25Å; T238-L240 VanDerWaalsContact O-N 3.09Å; L240-P259 HydrophobicContact CD2-CB 4.12Å; L240-R314 WeakPolarHBondContact CD1-O 3.17Å; L240-R314 PolarHBondContact O-NH1 3.2Å; L240-E315 HydrophobicContact CD1-CG 4.22Å; L240-I383 HydrophobicContact CD1-CB 4.33Å; L240-I383 HydrophobicContact CD1-CG2 4.3Å; L240-I383 HydrophobicContact CD2-CG2 3.67Å; L240-A385 HydrophobicContact CD2-CB 3.73Å; L240-A385 HydrophobicContact CG-CB 4.08Å
241	Q	96.9	Very high	94.6	Very high	30 Å²	30	23.4 Å²	23.4	14%	0.14	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-112.6	12	178.7	-50.9	-64.5	-22.7	0	0	112.6	T238 G239 D243 R244 V245 E315	T238-Q241 PolarHBondContact O-N 3.02Å; T238-Q241 PolarHBondContact OG1-O 3.29Å; G239-Q241 PolarHBondContact O-N 2.81Å; Q241-D243 PolarHBondContact O-N 3.49Å; Q241-R244 PolarHBondContact O-N 3.37Å; Q241-V245 HydrophobicContact CB-CG2 4.39Å; Q241-V245 WeakPolarHBondContact O-CG2 3.27Å; Q241-V245 PolarHBondContact O-N 3.42Å; Q241-E315 PolarHBondContact NE2-OE1 3.24Å
242	S	96.7	Very high	94.1	Very high	2 Å²	2	26 Å²	26	1%	0.014	15%	0.15	C	C	.	.	H	α-helix	trans	-61.1	-39.6	-172.4	70.5	0	0	0	0	113.8	T238 G239 A246 I257 V414 R415	T238-S242 VanDerWaalsContact OG1-CA 3.24Å; T238-S242 WeakPolarHBondContact OG1-CA 3.4Å; T238-S242 PolarHBondContact OG1-N 3.36Å; G239-S242 WeakPolarHBondContact O-CB 3.12Å; G239-S242 PolarHBondContact O-N 3.1Å; G239-S242 PolarHBondContact O-OG 3.24Å; S242-A246 WeakPolarHBondContact O-CB 3.25Å; S242-A246 PolarHBondContact O-N 3.1Å; S242-I257 WeakPolarHBondContact OG-CD1 3.29Å; S242-I257 WeakPolarHBondContact OG-CG1 3.49Å; S242-V414 WeakPolarHBondContact CB-O 3.5Å; S242-R415 PolarHBondContact OG-O 3.32Å
243	D	95.2	Very high	93.7	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-68.7	-39	175.7	59.1	-14.6	0	0	0	112.8	Q241 K247 I257 R314	Q241-D243 PolarHBondContact O-N 3.49Å; D243-K247 VanDerWaalsContact O-CG 3.31Å; D243-K247 WeakPolarHBondContact O-CG 3.42Å; D243-K247 PolarHBondContact O-N 3.21Å; D243-K247 VanDerWaalsContact O-N 3.12Å; D243-I257 HydrophobicContact CB-CG1 4.05Å; D243-I257 PolarHBondContact OD2-N 3.14Å; D243-R314 IonicContact OD1-CZ 2.86Å; D243-R314 IonicContact OD1-NH1 2.8Å; D243-R314 PolarHBondContact OD1-NH1 2.93Å; D243-R314 IonicContact OD1-NH2 3.36Å; D243-R314 PolarHBondContact OD1-NH2 3.36Å; D243-R314 IonicContact OD2-CZ 3.73Å; D243-R314 IonicContact OD2-NH1 3.67Å; D243-R314 PolarHBondContact OD2-NH1 3.33Å; D243-R314 IonicContact OD2-NH2 3.55Å; D243-R314 PolarHBondContact OD2-NH2 3.18Å
244	R	95.1	Very high	93.4	Very high	39 Å²	39	26.8 Å²	26.8	15%	0.147	16%	0.163	C	C	.	.	H	α-helix	trans	-67.4	-46.2	177.9	-76.5	170.8	165.6	176	-0.6	112.3	Q241 A246 K247 M248 D326 D329	Q241-R244 PolarHBondContact O-N 3.37Å; R244-A246 VanDerWaalsContact C-N 3.34Å; R244-K247 PolarHBondContact O-N 3.06Å; R244-M248 PolarHBondContact O-N 2.87Å; R244-D326 IonicContact CZ-OD1 3.54Å; R244-D326 IonicContact NH1-OD1 3.82Å; R244-D326 PolarHBondContact NH1-OD1 2.96Å; R244-D326 IonicContact NH2-OD1 3.13Å; R244-D326 PolarHBondContact NH2-OD1 3.38Å; R244-D329 IonicContact CZ-OD2 3.72Å; R244-D329 IonicContact NE-OD2 3.93Å; R244-D329 PolarHBondContact NE-OD2 2.82Å; R244-D329 IonicContact NH2-OD2 2.65Å; R244-D329 PolarHBondContact NH2-OD2 3.18Å
245	V	95.2	Very high	93.3	Very high	11 Å²	11	27 Å²	27	7%	0.067	16%	0.164	C	C	.	.	H	α-helix	trans	-68.9	-36.3	179.5	175.9	0	0	0	0	110.8	I200 T236 T238 Q241 K247 M248	I200-V245 HydrophobicContact CD1-CG1 4.32Å; T236-V245 HydrophobicContact CG2-CG1 3.78Å; T238-V245 HydrophobicContact CG2-CB 4.43Å; T238-V245 HydrophobicContact CG2-CG1 4.39Å; T238-V245 HydrophobicContact CG2-CG2 4.05Å; Q241-V245 HydrophobicContact CB-CG2 4.39Å; Q241-V245 WeakPolarHBondContact O-CG2 3.27Å; Q241-V245 PolarHBondContact O-N 3.42Å; V245-K247 VanDerWaalsContact C-N 3.33Å; V245-K247 PolarHBondContact O-N 2.92Å; V245-M248 WeakPolarHBondContact O-CB 3.43Å; V245-M248 PolarHBondContact O-N 3.2Å
246	A	93.9	Very high	93.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.2	-35.5	174	0	0	0	0	0	113.1	S242 R244 M248 S249 C251 H413 R415	S242-A246 WeakPolarHBondContact O-CB 3.25Å; S242-A246 PolarHBondContact O-N 3.1Å; R244-A246 VanDerWaalsContact C-N 3.34Å; A246-M248 VanDerWaalsContact C-N 3.25Å; A246-M248 PolarHBondContact O-N 2.99Å; A246-S249 PolarHBondContact O-N 3.24Å; A246-S249 PolarHBondContact O-OG 3.49Å; A246-C251 HydrophobicContact CB-CB 3.85Å; A246-C251 WeakPolarHBondContact O-CB 3.35Å; A246-C251 PolarHBondContact O-N 3.33Å; A246-H413 HydrophobicContact CB-CB 4.43Å; A246-R415 VanDerWaalsContact CB-NH1 3.31Å
247	K	92	Very high	93	Very high	95 Å²	95	27.8 Å²	27.8	41%	0.413	17%	0.169	S	C	.	.	H	α-helix	trans	-64	-29.8	174.1	-73	171.9	-171.7	-176.2	0	112.9	D243 R244 V245 S249 G250 P253	D243-K247 VanDerWaalsContact O-CG 3.31Å; D243-K247 WeakPolarHBondContact O-CG 3.42Å; D243-K247 PolarHBondContact O-N 3.21Å; D243-K247 VanDerWaalsContact O-N 3.12Å; R244-K247 PolarHBondContact O-N 3.06Å; V245-K247 VanDerWaalsContact C-N 3.33Å; V245-K247 PolarHBondContact O-N 2.92Å; K247-S249 PolarHBondContact O-N 2.87Å; K247-G250 PolarHBondContact O-N 2.9Å; K247-P253 HydrophobicContact CD-CB 4.49Å; K247-P253 VanDerWaalsContact CE-CB 3.5Å
248	M	90.7	Very high	92.8	Very high	76 Å²	76	27.2 Å²	27.2	37%	0.374	17%	0.165	S	C	.	.	H	α-helix	trans	-63.9	-28	179.6	-65.2	171.5	171.5	0	0	112.6	V197 R244 V245 A246	V197-M248 HydrophobicContact CG1-SD 4.22Å; R244-M248 PolarHBondContact O-N 2.87Å; V245-M248 WeakPolarHBondContact O-CB 3.43Å; V245-M248 PolarHBondContact O-N 3.2Å; A246-M248 VanDerWaalsContact C-N 3.25Å; A246-M248 PolarHBondContact O-N 2.99Å
249	S	87	Confident	92.7	Very high	13 Å²	13	26.1 Å²	26.1	9%	0.091	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	10.4	178.4	56.4	0	0	0	0	113.6	A246 K247 C251 H413	A246-S249 PolarHBondContact O-N 3.24Å; A246-S249 PolarHBondContact O-OG 3.49Å; K247-S249 PolarHBondContact O-N 2.87Å; S249-C251 PolarHBondContact OG-SG 2.88Å; S249-H413 PolarHBondContact OG-CE1 3.47Å; S249-H413 PolarHBondContact OG-NE2 2.95Å
250	G	82	Confident	92.5	Very high	51 Å²	51	25.9 Å²	25.9	53%	0.526	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	8	-179.4	0	0	0	0	0	115.3	K247	K247-G250 PolarHBondContact O-N 2.9Å
251	C	86.6	Confident	92.3	Very high	9 Å²	9	26.5 Å²	26.5	6%	0.061	15%	0.153	C	C	.	.			trans	-66.5	159.4	174.8	-61.5	0	0	0	0	112.2	A246 S249 G403 H413	A246-C251 HydrophobicContact CB-CB 3.85Å; A246-C251 WeakPolarHBondContact O-CB 3.35Å; A246-C251 PolarHBondContact O-N 3.33Å; S249-C251 PolarHBondContact OG-SG 2.88Å; C251-G403 WeakPolarHBondContact SG-CA 3.3Å; C251-H413 PolarHBondContact SG-CD2 3.25Å; C251-H413 PolarHBondContact SG-NE2 3.22Å; C251-H413 VanDerWaalsContact SG-NE2 3.35Å
252	S	87.6	Confident	92.1	Very high	56 Å²	56	25.5 Å²	25.5	39%	0.392	15%	0.15	S	C	.	.			trans	-48	135.8	172.3	176.1	0	0	0	0	112.8	N254 R415	S252-N254 PolarHBondContact O-N 3.15Å; S252-N254 VanDerWaalsContact O-N 3.16Å; S252-N254 PolarHBondContact OG-N 3.32Å; S252-N254 PolarHBondContact OG-O 2.88Å; S252-R415 PolarHBondContact O-NH1 2.89Å; S252-R415 PolarHBondContact O-NH2 3.19Å; S252-R415 VanDerWaalsContact O-NH2 3.15Å
253	P	87.9	Confident	91.9	Very high	67 Å²	67	26.2 Å²	26.2	44%	0.435	15%	0.154	S	C	.	.	S	Bend	trans	-65.3	-14.6	174.9	29	-36.7	0	0	0	113.1	K247	K247-P253 HydrophobicContact CD-CB 4.49Å; K247-P253 VanDerWaalsContact CE-CB 3.5Å
254	N	91.1	Very high	91.9	Very high	49 Å²	49	27.2 Å²	27.2	26%	0.262	16%	0.158	S	C	.	.	P	Polyproline II helix	trans	-102	150.6	177.2	-61.9	-64.2	0	0	0	111.4	S252 R415	S252-N254 PolarHBondContact O-N 3.15Å; S252-N254 VanDerWaalsContact O-N 3.16Å; S252-N254 PolarHBondContact OG-N 3.32Å; S252-N254 PolarHBondContact OG-O 2.88Å; N254-R415 VanDerWaalsContact C-NH2 3.31Å; N254-R415 PolarHBondContact O-NH2 3.29Å; N254-R415 VanDerWaalsContact O-NH2 3.1Å
255	P	94.3	Very high	92	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.019	15%	0.152	C	C	.	.	S	Bend	cis	-68.3	153.6	-9.6	31	-35.7	0	0	0	111.1	A387 I388 V395 R415	P255-A387 HydrophobicContact CB-CB 3.96Å; P255-A387 HydrophobicContact CG-CB 4Å; P255-I388 WeakPolarHBondContact CA-O 3.32Å; P255-I388 WeakPolarHBondContact CB-O 3.39Å; P255-V395 HydrophobicContact CB-CG2 4Å; P255-V395 HydrophobicContact CG-CG2 4.47Å; P255-R415 PolarHBondContact O-NH2 2.79Å
256	V	94.7	Very high	92.1	Very high	16 Å²	16	26.4 Å²	26.4	10%	0.097	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	140.9	173.4	178.9	0	0	0	0	108.6	A387 I388	V256-A387 WeakPolarHBondContact O-CA 3.44Å; V256-I388 PolarHBondContact N-O 2.89Å; V256-I388 PolarHBondContact O-N 2.95Å
257	I	95.5	Very high	92.3	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	123.9	174.4	-61	-52.8	0	0	0	110.1	S242 D243 R314 A385 A387 R415	S242-I257 WeakPolarHBondContact OG-CD1 3.29Å; S242-I257 WeakPolarHBondContact OG-CG1 3.49Å; D243-I257 HydrophobicContact CB-CG1 4.05Å; D243-I257 PolarHBondContact OD2-N 3.14Å; I257-R314 VanDerWaalsContact O-CZ 3.31Å; I257-R314 PolarHBondContact O-NH2 2.86Å; I257-A385 HydrophobicContact CG2-CB 3.64Å; I257-A387 HydrophobicContact CD1-CB 3.79Å; I257-R415 WeakPolarHBondContact CD1-O 3.34Å
258	V	94.8	Very high	92.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	121.9	176.5	179.1	0	0	0	0	108.9	F260 L310 L330 L336 Q386 I388	V258-F260 HydrophobicContact CB-CE2 4.02Å; V258-F260 HydrophobicContact CG1-CD2 4.06Å; V258-F260 HydrophobicContact CG1-CE2 3.5Å; V258-F260 VanDerWaalsContact CG1-CE2 3.5Å; V258-F260 HydrophobicContact CG1-CZ 3.96Å; V258-F260 PolarHBondContact O-N 3.04Å; V258-L310 HydrophobicContact CG1-CD1 3.34Å; V258-L330 HydrophobicContact CB-CD2 4.31Å; V258-L330 HydrophobicContact CG1-CD2 4.09Å; V258-L330 HydrophobicContact CG2-CD2 3.99Å; V258-L336 HydrophobicContact CG1-CD1 3.95Å; V258-L336 HydrophobicContact CG1-CD2 4.22Å; V258-L336 HydrophobicContact CG2-CB 4.42Å; V258-L336 HydrophobicContact CG2-CD1 4.19Å; V258-L336 HydrophobicContact CG2-CD2 4.19Å; V258-Q386 PolarHBondContact N-O 2.78Å; V258-Q386 PolarHBondContact O-N 2.91Å; V258-I388 HydrophobicContact CB-CD1 3.92Å; V258-I388 HydrophobicContact CB-CG1 4.3Å; V258-I388 HydrophobicContact CG1-CD1 4.45Å; V258-I388 HydrophobicContact CG2-CD1 3.55Å; V258-I388 HydrophobicContact CG2-CG1 3.88Å
259	P	95.1	Very high	92.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	118.3	179.8	32.6	-33.4	0	0	0	110.4	L240 S311 R314 L330 I383	L240-P259 HydrophobicContact CD2-CB 4.12Å; P259-S311 WeakPolarHBondContact CG-O 3.43Å; P259-S311 WeakPolarHBondContact O-CB 3.38Å; P259-S311 PolarHBondContact O-N 2.89Å; P259-R314 HydrophobicContact CB-CB 4.48Å; P259-R314 HydrophobicContact CB-CG 4.23Å; P259-R314 HydrophobicContact CG-CB 4.47Å; P259-R314 HydrophobicContact CG-CG 3.83Å; P259-L330 HydrophobicContact CG-CD1 4.32Å; P259-I383 HydrophobicContact CB-CG2 3.52Å
260	F	93.1	Very high	93.3	Very high	21 Å²	21	32.1 Å²	32.1	9%	0.092	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	112.5	169.2	-74.2	-87.9	0	0	0	109.6	V258 F289 I309 L310 L339 I383 R384 Q386	V258-F260 HydrophobicContact CB-CE2 4.02Å; V258-F260 HydrophobicContact CG1-CD2 4.06Å; V258-F260 HydrophobicContact CG1-CE2 3.5Å; V258-F260 VanDerWaalsContact CG1-CE2 3.5Å; V258-F260 HydrophobicContact CG1-CZ 3.96Å; V258-F260 PolarHBondContact O-N 3.04Å; F260-F289 HydrophobicContact CB-CE1 4.2Å; F260-F289 HydrophobicContact CB-CZ 4.14Å; F260-F289 HydrophobicContact CD1-CE1 4.25Å; F260-F289 AromaticContact CD1-CE2 3.91Å; F260-F289 HydrophobicContact CD1-CE2 3.91Å; F260-F289 AromaticContact CD1-CZ 3.37Å; F260-F289 HydrophobicContact CD1-CZ 3.37Å; F260-F289 HydrophobicContact CD2-CE1 4.29Å; F260-F289 AromaticContact CD2-CZ 3.8Å; F260-F289 HydrophobicContact CD2-CZ 3.8Å; F260-F289 AromaticContact CE1-CE2 3.88Å; F260-F289 HydrophobicContact CE1-CE2 3.88Å; F260-F289 AromaticContact CE1-CZ 3.57Å; F260-F289 HydrophobicContact CE1-CZ 3.57Å; F260-F289 AromaticContact CE2-CZ 3.97Å; F260-F289 HydrophobicContact CE2-CZ 3.97Å; F260-F289 AromaticContact CG-CE1 3.99Å; F260-F289 HydrophobicContact CG-CE1 3.99Å; F260-F289 HydrophobicContact CG-CE2 4.45Å; F260-F289 AromaticContact CG-CZ 3.48Å; F260-F289 HydrophobicContact CG-CZ 3.48Å; F260-F289 VanDerWaalsContact CG-CZ 3.48Å; F260-F289 HydrophobicContact CZ-CE2 4.39Å; F260-F289 AromaticContact CZ-CZ 3.86Å; F260-F289 HydrophobicContact CZ-CZ 3.86Å; F260-I309 CarbonylContact C-O 3.48Å; F260-I309 WeakPolarHBondContact CA-O 3.39Å; F260-L310 HydrophobicContact CE1-CB 4.43Å; F260-L339 HydrophobicContact CZ-CD2 4.06Å; F260-I383 WeakPolarHBondContact O-CA 3.45Å; F260-R384 PolarHBondContact N-O 3.14Å; F260-R384 PolarHBondContact O-N 2.88Å; F260-Q386 HydrophobicContact CD2-CB 3.65Å; F260-Q386 HydrophobicContact CD2-CG 4.32Å; F260-Q386 HydrophobicContact CE2-CB 3.86Å; F260-Q386 HydrophobicContact CE2-CG 4.15Å
261	R	93.3	Very high	94	Very high	17 Å²	17	31.4 Å²	31.4	6%	0.064	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	134.8	172.6	-165.1	-177.1	77.4	-128.6	-9.4	109.5	D263 I309 G318 R319 G382 I383	R261-D263 IonicContact CZ-OD1 3.88Å; R261-D263 IonicContact CZ-OD2 2.91Å; R261-D263 IonicContact NE-OD1 3.72Å; R261-D263 PolarHBondContact NE-OD1 2.83Å; R261-D263 IonicContact NE-OD2 3.81Å; R261-D263 PolarHBondContact NE-OD2 3.05Å; R261-D263 IonicContact NH2-OD1 2.76Å; R261-D263 IonicContact NH2-OD2 3.96Å; R261-D263 PolarHBondContact NH2-OD2 3.31Å; R261-I309 PolarHBondContact N-O 2.86Å; R261-I309 PolarHBondContact O-N 2.73Å; R261-G318 PolarHBondContact NH1-O 3.2Å; R261-R319 VanDerWaalsContact NH1-CA 3.27Å; R261-R319 PolarHBondContact NH1-O 3.32Å; R261-R319 VanDerWaalsContact NH1-O 3.1Å; R261-G382 CarbonylContact C-O 3.37Å; R261-G382 WeakPolarHBondContact CA-O 3.38Å; R261-I383 HydrophobicContact CB-CG1 4.38Å; R261-I383 HydrophobicContact CG-CG1 4.24Å
262	G	92.2	Very high	94.3	Very high	8 Å²	8	32.8 Å²	32.8	8%	0.082	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	112.5	171.7	0	0	0	0	0	110.5	N307 S381 G382	G262-N307 WeakPolarHBondContact CA-O 3.19Å; G262-S381 CarbonylContact O-C 3.6Å; G262-S381 WeakPolarHBondContact O-CA 3.15Å; G262-G382 PolarHBondContact N-O 3.12Å; G262-G382 PolarHBondContact O-N 3.45Å
263	D	93	Very high	94.6	Very high	18 Å²	18	34.2 Å²	34.2	10%	0.096	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	128.6	176.4	-60	-40.4	0	0	0	109.6	R261 P306 N307 S381	R261-D263 IonicContact CZ-OD1 3.88Å; R261-D263 IonicContact CZ-OD2 2.91Å; R261-D263 IonicContact NE-OD1 3.72Å; R261-D263 PolarHBondContact NE-OD1 2.83Å; R261-D263 IonicContact NE-OD2 3.81Å; R261-D263 PolarHBondContact NE-OD2 3.05Å; R261-D263 IonicContact NH2-OD1 2.76Å; R261-D263 IonicContact NH2-OD2 3.96Å; R261-D263 PolarHBondContact NH2-OD2 3.31Å; D263-P306 WeakPolarHBondContact O-CA 3.12Å; D263-N307 PolarHBondContact N-OD1 3.47Å; D263-N307 PolarHBondContact O-N 3.21Å; D263-S381 WeakPolarHBondContact OD1-CB 3.09Å
264	Y	95.2	Very high	95	Very high	22 Å²	22	32.4 Å²	32.4	9%	0.086	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	152.2	174.2	-65.7	-89.3	0	0	0	111.2	L303 L304 P306 G379 P380	Y264-L303 HydrophobicContact CD1-CB 3.79Å; Y264-L303 HydrophobicContact CD1-CD1 3.7Å; Y264-L303 HydrophobicContact CD1-CG 4.36Å; Y264-L303 HydrophobicContact CD2-CD1 4.08Å; Y264-L303 HydrophobicContact CE1-CB 4.31Å; Y264-L303 HydrophobicContact CE1-CD1 3.92Å; Y264-L303 HydrophobicContact CE2-CD1 4.32Å; Y264-L303 HydrophobicContact CG-CB 4.36Å; Y264-L303 HydrophobicContact CG-CD1 3.75Å; Y264-L304 WeakPolarHBondContact CA-O 3.36Å; Y264-P306 HydrophobicContact CD1-CB 4.06Å; Y264-P306 HydrophobicContact CD2-CB 4.16Å; Y264-P306 HydrophobicContact CE1-CB 3.75Å; Y264-P306 HydrophobicContact CE1-CG 3.86Å; Y264-P306 VanDerWaalsContact CE1-N 3.35Å; Y264-P306 HydrophobicContact CE2-CB 3.82Å; Y264-P306 HydrophobicContact CE2-CG 4.21Å; Y264-P306 HydrophobicContact CG-CB 4.28Å; Y264-P306 WeakPolarHBondContact OH-CG 3.33Å; Y264-G379 WeakPolarHBondContact O-CA 3.21Å; Y264-G379 PolarHBondContact O-N 3.39Å; Y264-P380 WeakPolarHBondContact CB-O 3.36Å; Y264-P380 PolarHBondContact N-O 3.49Å
265	L	96.3	Very high	95.3	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.026	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	163.9	154.1	-60.7	173.2	0	0	0	108.9	L303 L304 I357 Q360 V361 V376 V377 R378	L265-L303 WeakPolarHBondContact O-CA 3.4Å; L265-L304 HydrophobicContact CB-CB 4.25Å; L265-L304 HydrophobicContact CB-CD1 3.9Å; L265-L304 PolarHBondContact N-O 3.34Å; L265-L304 WeakPolarHBondContact O-CD1 3.45Å; L265-L304 PolarHBondContact O-N 3.24Å; L265-I357 HydrophobicContact CD1-CG2 3.82Å; L265-I357 HydrophobicContact CD2-CD1 4.17Å; L265-I357 HydrophobicContact CD2-CG1 4.05Å; L265-I357 HydrophobicContact CD2-CG2 4.09Å; L265-Q360 HydrophobicContact CD1-CB 4.25Å; L265-Q360 HydrophobicContact CD1-CG 4.41Å; L265-V361 HydrophobicContact CD1-CG2 4.17Å; L265-V376 HydrophobicContact CB-CB 4.36Å; L265-V376 HydrophobicContact CD1-CB 4.41Å; L265-V376 HydrophobicContact CD1-CG2 4.19Å; L265-V377 CarbonylContact C-O 3.14Å; L265-V377 VanDerWaalsContact CA-O 3.26Å; L265-V377 WeakPolarHBondContact CA-O 3.47Å; L265-R378 HydrophobicContact CD2-CG 4.24Å
266	V	97.6	Very high	95.5	Very high	27 Å²	27	34 Å²	34	16%	0.164	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.4	175	178.7	0	0	0	0	108.2	V302 L303 L304 V376 V377	V266-V302 WeakPolarHBondContact CA-O 3.32Å; V266-L303 HydrophobicContact CG2-CD2 3.68Å; V266-L304 VanDerWaalsContact C-CD1 3.5Å; V266-V376 CarbonylContact O-C 3.57Å; V266-V376 VanDerWaalsContact O-CA 3.32Å; V266-V376 WeakPolarHBondContact O-CA 3.44Å; V266-V377 HydrophobicContact CB-CG2 4.1Å; V266-V377 PolarHBondContact N-O 2.98Å; V266-V377 PolarHBondContact O-N 3.2Å
267	L	97.9	Very high	95.6	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.016	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	135.5	168.9	-75.2	-177.1	0	0	0	108.7	L274 I275 V302 L304 L371 V376	L267-L274 HydrophobicContact CD1-CB 4.44Å; L267-I275 HydrophobicContact CD1-CG1 3.83Å; L267-V302 HydrophobicContact CB-CB 4.11Å; L267-V302 HydrophobicContact CD1-CB 3.81Å; L267-V302 HydrophobicContact CD1-CG1 3.92Å; L267-V302 HydrophobicContact CD1-CG2 4.19Å; L267-V302 HydrophobicContact CG-CB 4.08Å; L267-V302 HydrophobicContact CG-CG1 4.34Å; L267-V302 PolarHBondContact N-O 3.49Å; L267-L304 HydrophobicContact CB-CD1 4.45Å; L267-L304 HydrophobicContact CD2-CD1 4.12Å; L267-L304 HydrophobicContact CD2-CD2 3.88Å; L267-L304 HydrophobicContact CD2-CG 4.47Å; L267-L304 HydrophobicContact CG-CD1 3.86Å; L267-L304 HydrophobicContact CG-CD2 4.19Å; L267-L304 HydrophobicContact CG-CG 4.28Å; L267-L304 VanDerWaalsContact N-CD1 3.29Å; L267-L371 HydrophobicContact CD2-CD1 3.51Å; L267-V376 HydrophobicContact CD2-CG1 3.9Å
268	K	98	Very high	95.8	Very high	68 Å²	68	33.7 Å²	33.7	30%	0.296	19%	0.189	S	C	.	.			trans	-58.1	144	171.1	-68.7	-178.4	174.9	174.8	0	110.2	E270 N271 S272 K374 D375 V377	K268-E270 HydrophobicContact CB-CG 4.45Å; K268-E270 WeakPolarHBondContact CB-OE1 3.19Å; K268-E270 WeakPolarHBondContact CB-OE2 3.5Å; K268-E270 VanDerWaalsContact CD-OE1 3.31Å; K268-E270 WeakPolarHBondContact CD-OE1 3.35Å; K268-E270 PolarHBondContact O-N 3.37Å; K268-E270 VanDerWaalsContact O-N 3.12Å; K268-N271 PolarHBondContact O-N 3.03Å; K268-S272 PolarHBondContact O-N 3.03Å; K268-K374 WeakPolarHBondContact CD-O 3.41Å; K268-K374 WeakPolarHBondContact CE-O 3.43Å; K268-K374 PolarHBondContact NZ-O 2.64Å; K268-D375 WeakPolarHBondContact CG-O 3.5Å; K268-D375 PolarHBondContact N-O 3.36Å; K268-V377 HydrophobicContact CG-CG1 4.13Å
269	P	96.6	Very high	95.9	Very high	106 Å²	106	33.7 Å²	33.7	69%	0.688	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-51.2	-40.4	-172.6	-29.2	36.2	0	0	0	114.4	N271 S272	P269-N271 PolarHBondContact O-N 3.43Å; P269-N271 VanDerWaalsContact O-N 3.15Å; P269-S272 WeakPolarHBondContact O-CB 3.47Å; P269-S272 PolarHBondContact O-N 2.85Å; P269-S272 VanDerWaalsContact O-N 3.14Å; P269-S272 PolarHBondContact O-OG 3.38Å
270	E	96.2	Very high	96.1	Very high	127 Å²	127	33.9 Å²	33.9	59%	0.593	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-62.1	-19.4	178.6	63.7	-88.5	-156.8	0	0	114.4	K268	K268-E270 HydrophobicContact CB-CG 4.45Å; K268-E270 WeakPolarHBondContact CB-OE1 3.19Å; K268-E270 WeakPolarHBondContact CB-OE2 3.5Å; K268-E270 VanDerWaalsContact CD-OE1 3.31Å; K268-E270 WeakPolarHBondContact CD-OE1 3.35Å; K268-E270 PolarHBondContact O-N 3.37Å; K268-E270 VanDerWaalsContact O-N 3.12Å
271	N	96.2	Very high	96.2	Very high	36 Å²	36	33.2 Å²	33.2	19%	0.193	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-108.9	5	-179.5	-67.3	-44.8	0	0	0	112.9	K268 P269 S273 L274 D375	K268-N271 PolarHBondContact O-N 3.03Å; P269-N271 PolarHBondContact O-N 3.43Å; P269-N271 VanDerWaalsContact O-N 3.15Å; N271-S273 PolarHBondContact O-N 3.09Å; N271-L274 HydrophobicContact CB-CD1 3.94Å; N271-L274 HydrophobicContact CB-CG 4.46Å; N271-L274 VanDerWaalsContact O-CB 3.28Å; N271-L274 WeakPolarHBondContact O-CB 3.39Å; N271-L274 VanDerWaalsContact O-CG 3.28Å; N271-L274 WeakPolarHBondContact O-CG 3.25Å; N271-L274 PolarHBondContact O-N 3.37Å; N271-L274 VanDerWaalsContact O-N 3.1Å; N271-D375 VanDerWaalsContact ND2-CB 3.35Å; N271-D375 WeakPolarHBondContact ND2-CB 3.24Å; N271-D375 PolarHBondContact ND2-OD1 2.85Å
272	S	94.4	Very high	96.3	Very high	38 Å²	38	32.9 Å²	32.9	27%	0.266	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-59.7	-32.7	-178.6	55.1	0	0	0	0	112.8	K268 P269 L274 I275 G300	K268-S272 PolarHBondContact O-N 3.03Å; P269-S272 WeakPolarHBondContact O-CB 3.47Å; P269-S272 PolarHBondContact O-N 2.85Å; P269-S272 VanDerWaalsContact O-N 3.14Å; P269-S272 PolarHBondContact O-OG 3.38Å; S272-L274 PolarHBondContact O-N 2.9Å; S272-L274 VanDerWaalsContact O-N 3.12Å; S272-I275 PolarHBondContact O-N 2.82Å; S272-G300 WeakPolarHBondContact CB-O 3.3Å
273	S	93.9	Very high	96.3	Very high	87 Å²	87	33.8 Å²	33.8	61%	0.608	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-67	-6.3	177	60.3	0	0	0	0	114.7	N271 I275	N271-S273 PolarHBondContact O-N 3.09Å; S273-I275 PolarHBondContact O-N 2.99Å
274	L	95.7	Very high	95.8	Very high	28 Å²	28	35 Å²	35	15%	0.147	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-64.8	-23.2	172.7	-71.5	175.5	0	0	0	112.5	N156 L267 N271 S272	N156-L274 WeakPolarHBondContact CB-O 3.47Å; N156-L274 PolarHBondContact ND2-O 2.83Å; L267-L274 HydrophobicContact CD1-CB 4.44Å; N271-L274 HydrophobicContact CB-CD1 3.94Å; N271-L274 HydrophobicContact CB-CG 4.46Å; N271-L274 VanDerWaalsContact O-CB 3.28Å; N271-L274 WeakPolarHBondContact O-CB 3.39Å; N271-L274 VanDerWaalsContact O-CG 3.28Å; N271-L274 WeakPolarHBondContact O-CG 3.25Å; N271-L274 PolarHBondContact O-N 3.37Å; N271-L274 VanDerWaalsContact O-N 3.1Å; S272-L274 PolarHBondContact O-N 2.9Å; S272-L274 VanDerWaalsContact O-N 3.12Å
275	I	98.1	Very high	94.7	Very high	7 Å²	7	39 Å²	39	4%	0.036	23%	0.229	C	C	.	.			trans	-130.3	117.4	-171.1	-52.3	-63.7	0	0	0	109.7	L267 S272 S273 G277 I279 F294 V302 V368	L267-I275 HydrophobicContact CD1-CG1 3.83Å; S272-I275 PolarHBondContact O-N 2.82Å; S273-I275 PolarHBondContact O-N 2.99Å; I275-G277 WeakPolarHBondContact CG2-O 3.18Å; I275-I279 HydrophobicContact CD1-CD1 3.65Å; I275-I279 HydrophobicContact CG2-CD1 4.43Å; I275-F294 HydrophobicContact CD1-CB 4.22Å; I275-F294 HydrophobicContact CD1-CD1 3.52Å; I275-F294 HydrophobicContact CD1-CE1 3.91Å; I275-F294 HydrophobicContact CD1-CG 3.92Å; I275-F294 HydrophobicContact CG1-CB 4.38Å; I275-F294 HydrophobicContact CG1-CD1 3.82Å; I275-F294 HydrophobicContact CG1-CE1 4.47Å; I275-F294 HydrophobicContact CG1-CG 4.39Å; I275-F294 HydrophobicContact CG2-CB 4.01Å; I275-V302 HydrophobicContact CB-CG1 4.02Å; I275-V302 HydrophobicContact CB-CG2 4.31Å; I275-V302 HydrophobicContact CG1-CG1 4.01Å; I275-V302 HydrophobicContact CG2-CG1 4.11Å; I275-V368 HydrophobicContact CD1-CG2 3.81Å
276	N	97	Very high	93.5	Very high	80 Å²	80	46.7 Å²	46.7	43%	0.428	26%	0.258	S	S	.	.	S	Bend	trans	-93.6	-37.2	177.6	-64.8	-40.7	0	0	0	112.6	E154 P155	E154-N276 PolarHBondContact OE1-N 2.89Å; E154-N276 VanDerWaalsContact OE1-N 3.14Å; E154-N276 WeakPolarHBondContact OE2-CA 3.46Å; E154-N276 WeakPolarHBondContact OE2-CB 3.02Å; E154-N276 PolarHBondContact OE2-N 3Å; P155-N276 WeakPolarHBondContact CD-ND2 3.42Å
277	G	97.9	Very high	92.4	Very high	8 Å²	8	48.5 Å²	48.5	8%	0.082	26%	0.264	C	S	.	.	S	Bend	trans	-130.7	-175.2	-174.8	0	0	0	0	0	113.6	C112 E154 I275 P296	C112-G277 WeakPolarHBondContact O-CA 3.31Å; E154-G277 PolarHBondContact OE2-N 3.22Å; I275-G277 WeakPolarHBondContact CG2-O 3.18Å; G277-P296 WeakPolarHBondContact O-CD 3.24Å
278	N	98.5	Very high	91.2	Very high	1 Å²	1	50 Å²	50	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	125.6	176.2	-72.1	-80.1	0	0	0	110.5	V74 C112 G113 K114 L115 Y280 F294	V74-N278 WeakPolarHBondContact CG2-OD1 3.32Å; C112-N278 PolarHBondContact SG-ND2 3.38Å; G113-N278 WeakPolarHBondContact O-CB 3.42Å; G113-N278 PolarHBondContact O-N 3.34Å; G113-N278 VanDerWaalsContact O-N 3.11Å; G113-N278 PolarHBondContact O-ND2 3.11Å; K114-N278 CarbonylContact C-O 3.53Å; K114-N278 VanDerWaalsContact CA-O 3.26Å; K114-N278 WeakPolarHBondContact CA-O 3.45Å; K114-N278 HydrophobicContact CB-CB 3.82Å; K114-N278 HydrophobicContact CG-CB 3.96Å; L115-N278 PolarHBondContact N-O 2.92Å; N278-Y280 HydrophobicContact CB-CD2 3.85Å; N278-Y280 HydrophobicContact CB-CE2 3.64Å; N278-F294 WeakPolarHBondContact CA-O 3.42Å
279	I	98.5	Very high	90.2	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	115.6	176.2	-50.8	171.3	0	0	0	109	V117 E154 C157 I275 H293 F294 Y367 V368	V117-I279 HydrophobicContact CG2-CG2 4.2Å; E154-I279 HydrophobicContact CG-CD1 3.61Å; E154-I279 HydrophobicContact CG-CG1 4.04Å; C157-I279 HydrophobicContact CB-CD1 4.07Å; I275-I279 HydrophobicContact CD1-CD1 3.65Å; I275-I279 HydrophobicContact CG2-CD1 4.43Å; I279-H293 CarbonylContact O-C 3.33Å; I279-H293 WeakPolarHBondContact O-CA 3.39Å; I279-H293 WeakPolarHBondContact O-CB 3.49Å; I279-F294 HydrophobicContact CB-CB 4.13Å; I279-F294 HydrophobicContact CB-CD2 3.89Å; I279-F294 HydrophobicContact CB-CG 4.39Å; I279-F294 HydrophobicContact CD1-CB 4.45Å; I279-F294 HydrophobicContact CD1-CD2 4.24Å; I279-F294 HydrophobicContact CD1-CG 4.4Å; I279-F294 HydrophobicContact CG1-CB 4.44Å; I279-F294 HydrophobicContact CG2-CD2 4.28Å; I279-F294 PolarHBondContact N-O 2.8Å; I279-F294 PolarHBondContact O-N 3.25Å; I279-Y367 HydrophobicContact CG2-CD1 4.35Å; I279-Y367 HydrophobicContact CG2-CG 4.29Å; I279-V368 HydrophobicContact CD1-CG2 3.94Å
280	Y	97.8	Very high	89.1	Confident	3 Å²	3	45.6 Å²	45.6	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	148.9	-171.2	-83.5	-107.7	0	0	0	112.3	V74 Y80 K114 L115 I116 V117 N278 L290 H293 T295	V74-Y280 WeakPolarHBondContact CG2-OH 3.37Å; Y80-Y280 HydrophobicContact CE2-CD1 4.46Å; Y80-Y280 VanDerWaalsContact OH-CB 3.29Å; Y80-Y280 WeakPolarHBondContact OH-CB 3.48Å; K114-Y280 HydrophobicContact CD-CD2 3.91Å; K114-Y280 HydrophobicContact CD-CE2 4.38Å; K114-Y280 HydrophobicContact CD-CG 4.11Å; K114-Y280 HydrophobicContact CG-CD2 3.91Å; K114-Y280 HydrophobicContact CG-CG 4.37Å; L115-Y280 PolarHBondContact O-N 3.23Å; I116-Y280 CarbonylContact C-O 3.54Å; I116-Y280 WeakPolarHBondContact CA-O 3.24Å; V117-Y280 PolarHBondContact N-O 3Å; N278-Y280 HydrophobicContact CB-CD2 3.85Å; N278-Y280 HydrophobicContact CB-CE2 3.64Å; Y280-L290 HydrophobicContact CD1-CD2 3.41Å; Y280-L290 VanDerWaalsContact CD1-CD2 3.41Å; Y280-L290 HydrophobicContact CD1-CG 4.46Å; Y280-L290 HydrophobicContact CE1-CD2 3.65Å; Y280-H293 HydrophobicContact CD1-CB 3.9Å; Y280-H293 AromaticContact CD1-CG 3.84Å; Y280-H293 HydrophobicContact CD2-CB 4.07Å; Y280-H293 HydrophobicContact CE1-CB 4.07Å; Y280-H293 AromaticContact CE1-CD2 3.49Å; Y280-H293 VanDerWaalsContact CE1-CD2 3.49Å; Y280-H293 WeakPolarHBondContact CE1-CD2 3.48Å; Y280-H293 AromaticContact CE1-CE1 3.73Å; Y280-H293 AromaticContact CE1-CG 3.53Å; Y280-H293 AromaticContact CE1-ND1 3.69Å; Y280-H293 AromaticContact CE1-NE2 3.59Å; Y280-H293 HydrophobicContact CE2-CB 4.2Å; Y280-H293 AromaticContact CE2-CD2 3.71Å; Y280-H293 HydrophobicContact CG-CB 3.91Å; Y280-H293 AromaticContact CZ-CD2 3.18Å; Y280-H293 AromaticContact CZ-CG 3.67Å; Y280-H293 AromaticContact CZ-NE2 3.46Å; Y280-H293 PolarHBondContact OH-CD2 3.47Å; Y280-H293 PolarHBondContact OH-NE2 2.9Å; Y280-T295 PolarHBondContact OH-OG1 2.8Å
281	P	96.4	Very high	88.4	Confident	8 Å²	8	40.3 Å²	40.3	5%	0.052	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	157.7	174.8	34.4	-38.1	0	0	0	111.9	Y80 L290 Y367	Y80-P281 PolarHBondContact OH-O 2.61Å; P281-L290 HydrophobicContact CG-CG 4.33Å; P281-L290 WeakPolarHBondContact CG-O 3.37Å; P281-Y367 WeakPolarHBondContact CA-OH 3.39Å; P281-Y367 WeakPolarHBondContact CB-OH 3.29Å
282	V	96.1	Very high	88.1	Confident	10 Å²	10	38.8 Å²	38.8	6%	0.061	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-64.8	130.9	157.6	-179.6	0	0	0	0	108.4	I116 A118 E123 Q126 L127	I116-V282 HydrophobicContact CG2-CG2 4.32Å; A118-V282 HydrophobicContact CB-CG2 4.01Å; E123-V282 HydrophobicContact CB-CB 4.08Å; E123-V282 HydrophobicContact CB-CG1 4.18Å; E123-V282 HydrophobicContact CB-CG2 4.16Å; E123-V282 HydrophobicContact CG-CB 4.38Å; Q126-V282 HydrophobicContact CB-CG1 3.75Å; Q126-V282 HydrophobicContact CG-CG1 3.54Å; L127-V282 HydrophobicContact CB-CG2 3.96Å; L127-V282 HydrophobicContact CD1-CG2 3.62Å; L127-V282 HydrophobicContact CG-CG2 4.32Å
283	P	90.5	Very high	88.2	Confident	26 Å²	26	37.7 Å²	37.7	17%	0.169	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-69.5	136.7	-178.8	27.3	-27.5	0	0	0	109.7	Y80 L130 S285 L290	Y80-P283 HydrophobicContact CD1-CG 4.1Å; Y80-P283 HydrophobicContact CE1-CG 4.11Å; L130-P283 HydrophobicContact CD1-CG 3.73Å; L130-P283 HydrophobicContact CD2-CG 4.47Å; P283-S285 PolarHBondContact O-N 3.18Å; P283-L290 HydrophobicContact CB-CD1 3.75Å; P283-L290 HydrophobicContact CG-CD1 4.37Å
284	D	82.3	Confident	88.4	Confident	44 Å²	44	33.6 Å²	33.6	24%	0.235	18%	0.18	C	C	.	.			trans	-82.5	115.6	171.2	-169.6	-26	0	0	0	109.4	R286 F287	D284-R286 PolarHBondContact O-N 3.13Å; D284-R286 WeakPolarHBondContact OD1-CB 3.38Å; D284-R286 VanDerWaalsContact OD1-CG 3.29Å; D284-R286 WeakPolarHBondContact OD1-CG 3.34Å; D284-R286 IonicContact OD1-CZ 3.74Å; D284-R286 PolarHBondContact OD1-N 2.77Å; D284-R286 IonicContact OD1-NE 2.88Å; D284-R286 PolarHBondContact OD1-NE 3.31Å; D284-R286 IonicContact OD1-NH2 3.76Å; D284-R286 IonicContact OD2-CZ 3.3Å; D284-R286 VanDerWaalsContact OD2-CZ 3.3Å; D284-R286 IonicContact OD2-NE 3.12Å; D284-R286 PolarHBondContact OD2-NE 3.5Å; D284-R286 VanDerWaalsContact OD2-NE 3.12Å; D284-R286 IonicContact OD2-NH2 2.67Å; D284-R286 PolarHBondContact OD2-NH2 2.83Å; D284-F287 HydrophobicContact CB-CD2 3.73Å; D284-F287 HydrophobicContact CB-CE2 4.43Å; D284-F287 VanDerWaalsContact CG-CD2 3.47Å; D284-F287 PolarHBondContact O-N 3.02Å; D284-F287 VanDerWaalsContact OD2-CD2 3.28Å; D284-F287 WeakPolarHBondContact OD2-CD2 3.28Å; D284-F287 WeakPolarHBondContact OD2-CE2 3.4Å
285	S	72.9	Confident	88.5	Confident	105 Å²	105	32.3 Å²	32.3	73%	0.734	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-17.1	179.5	58.5	0	0	0	0	113.6	P283 F287	P283-S285 PolarHBondContact O-N 3.18Å; S285-F287 VanDerWaalsContact C-N 3.28Å
286	R	71.9	Confident	88.5	Confident	168 Å²	168	32.5 Å²	32.5	63%	0.634	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-13.4	176.2	-56.5	172.2	-65.9	-172.7	-0.3	112.6	D284 Y343	D284-R286 PolarHBondContact O-N 3.13Å; D284-R286 WeakPolarHBondContact OD1-CB 3.38Å; D284-R286 VanDerWaalsContact OD1-CG 3.29Å; D284-R286 WeakPolarHBondContact OD1-CG 3.34Å; D284-R286 IonicContact OD1-CZ 3.74Å; D284-R286 PolarHBondContact OD1-N 2.77Å; D284-R286 IonicContact OD1-NE 2.88Å; D284-R286 PolarHBondContact OD1-NE 3.31Å; D284-R286 IonicContact OD1-NH2 3.76Å; D284-R286 IonicContact OD2-CZ 3.3Å; D284-R286 VanDerWaalsContact OD2-CZ 3.3Å; D284-R286 IonicContact OD2-NE 3.12Å; D284-R286 PolarHBondContact OD2-NE 3.5Å; D284-R286 VanDerWaalsContact OD2-NE 3.12Å; D284-R286 IonicContact OD2-NH2 2.67Å; D284-R286 PolarHBondContact OD2-NH2 2.83Å; R286-Y343 VanDerWaalsContact O-CE1 3.23Å; R286-Y343 WeakPolarHBondContact O-CE1 3.46Å
287	F	74.1	Confident	88.5	Confident	65 Å²	65	31.6 Å²	31.6	29%	0.285	17%	0.165	S	C	.	.	S	Bend	trans	-129.2	143.8	-173.4	-55	-52.7	0	0	0	112.2	D284 S285 F289 F346	D284-F287 HydrophobicContact CB-CD2 3.73Å; D284-F287 HydrophobicContact CB-CE2 4.43Å; D284-F287 VanDerWaalsContact CG-CD2 3.47Å; D284-F287 PolarHBondContact O-N 3.02Å; D284-F287 VanDerWaalsContact OD2-CD2 3.28Å; D284-F287 WeakPolarHBondContact OD2-CD2 3.28Å; D284-F287 WeakPolarHBondContact OD2-CE2 3.4Å; S285-F287 VanDerWaalsContact C-N 3.28Å; F287-F289 VanDerWaalsContact C-N 3.27Å; F287-F289 PolarHBondContact O-N 3.29Å; F287-F346 HydrophobicContact CB-CD2 4.14Å; F287-F346 HydrophobicContact CB-CE1 4.36Å; F287-F346 HydrophobicContact CB-CE2 3.8Å; F287-F346 HydrophobicContact CB-CZ 3.92Å; F287-F346 HydrophobicContact CD1-CB 3.69Å; F287-F346 HydrophobicContact CD1-CD1 4.1Å; F287-F346 AromaticContact CD1-CD2 3.09Å; F287-F346 HydrophobicContact CD1-CD2 3.09Å; F287-F346 AromaticContact CD1-CE2 3.67Å; F287-F346 HydrophobicContact CD1-CE2 3.67Å; F287-F346 AromaticContact CD1-CG 3.33Å; F287-F346 HydrophobicContact CD1-CG 3.33Å; F287-F346 HydrophobicContact CD1-CZ 4.38Å; F287-F346 AromaticContact CD2-CD2 3.69Å; F287-F346 HydrophobicContact CD2-CD2 3.69Å; F287-F346 AromaticContact CD2-CE2 3.56Å; F287-F346 HydrophobicContact CD2-CE2 3.56Å; F287-F346 HydrophobicContact CD2-CZ 4.49Å; F287-F346 HydrophobicContact CE1-CB 3.58Å; F287-F346 AromaticContact CE1-CD2 3.26Å; F287-F346 HydrophobicContact CE1-CD2 3.26Å; F287-F346 HydrophobicContact CE1-CE2 4.15Å; F287-F346 AromaticContact CE1-CG 3.63Å; F287-F346 HydrophobicContact CE1-CG 3.63Å; F287-F346 AromaticContact CE2-CD2 3.83Å; F287-F346 HydrophobicContact CE2-CD2 3.83Å; F287-F346 HydrophobicContact CE2-CE2 4.05Å; F287-F346 AromaticContact CG-CD2 3.35Å; F287-F346 HydrophobicContact CG-CD2 3.35Å; F287-F346 AromaticContact CG-CE2 3.36Å; F287-F346 HydrophobicContact CG-CE2 3.36Å; F287-F346 AromaticContact CG-CG 3.94Å; F287-F346 HydrophobicContact CG-CG 3.94Å; F287-F346 HydrophobicContact CG-CZ 4.01Å; F287-F346 AromaticContact CZ-CD2 3.63Å; F287-F346 HydrophobicContact CZ-CD2 3.63Å; F287-F346 HydrophobicContact CZ-CE2 4.32Å; F287-F346 HydrophobicContact CZ-CG 4.41Å
288	P	71.5	Confident	88.4	Confident	35 Å²	35	34.8 Å²	34.8	23%	0.227	18%	0.18	C	C	.	.	S	Bend	trans	-78.9	-7.1	-175.2	29.9	-34.5	0	0	0	114.8	L394	P288-L394 HydrophobicContact CB-CD1 3.14Å; P288-L394 HydrophobicContact CG-CD1 4.14Å
289	F	77.6	Confident	88.2	Confident	29 Å²	29	40.8 Å²	40.8	13%	0.127	21%	0.212	C	C	.	.	S	Bend	trans	-116.9	145.2	-177.4	-56.1	-73.3	0	0	0	111	F260 F287 G291 A308 F346	F260-F289 HydrophobicContact CB-CE1 4.2Å; F260-F289 HydrophobicContact CB-CZ 4.14Å; F260-F289 HydrophobicContact CD1-CE1 4.25Å; F260-F289 AromaticContact CD1-CE2 3.91Å; F260-F289 HydrophobicContact CD1-CE2 3.91Å; F260-F289 AromaticContact CD1-CZ 3.37Å; F260-F289 HydrophobicContact CD1-CZ 3.37Å; F260-F289 HydrophobicContact CD2-CE1 4.29Å; F260-F289 AromaticContact CD2-CZ 3.8Å; F260-F289 HydrophobicContact CD2-CZ 3.8Å; F260-F289 AromaticContact CE1-CE2 3.88Å; F260-F289 HydrophobicContact CE1-CE2 3.88Å; F260-F289 AromaticContact CE1-CZ 3.57Å; F260-F289 HydrophobicContact CE1-CZ 3.57Å; F260-F289 AromaticContact CE2-CZ 3.97Å; F260-F289 HydrophobicContact CE2-CZ 3.97Å; F260-F289 AromaticContact CG-CE1 3.99Å; F260-F289 HydrophobicContact CG-CE1 3.99Å; F260-F289 HydrophobicContact CG-CE2 4.45Å; F260-F289 AromaticContact CG-CZ 3.48Å; F260-F289 HydrophobicContact CG-CZ 3.48Å; F260-F289 VanDerWaalsContact CG-CZ 3.48Å; F260-F289 HydrophobicContact CZ-CE2 4.39Å; F260-F289 AromaticContact CZ-CZ 3.86Å; F260-F289 HydrophobicContact CZ-CZ 3.86Å; F287-F289 VanDerWaalsContact C-N 3.27Å; F287-F289 PolarHBondContact O-N 3.29Å; F289-G291 VanDerWaalsContact C-N 3.29Å; F289-G291 PolarHBondContact O-N 3.36Å; F289-A308 HydrophobicContact CB-CB 3.99Å; F289-A308 HydrophobicContact CD1-CB 3.73Å; F289-A308 HydrophobicContact CD2-CB 3.39Å; F289-A308 HydrophobicContact CE1-CB 4.04Å; F289-A308 HydrophobicContact CE2-CB 3.72Å; F289-A308 HydrophobicContact CG-CB 3.4Å; F289-A308 HydrophobicContact CZ-CB 4.05Å; F289-F346 HydrophobicContact CD2-CE1 4Å
290	L	72.9	Confident	88.1	Confident	51 Å²	51	42.9 Å²	42.9	27%	0.267	23%	0.234	S	C	.	.			trans	-64.7	-32.7	-172.9	-165.9	65.2	0	0	0	113.3	Y80 Y280 P281 P283	Y80-L290 HydrophobicContact CD1-CD1 3.68Å; Y80-L290 HydrophobicContact CE1-CD1 3.28Å; Y80-L290 HydrophobicContact CE1-CD2 4.43Å; Y80-L290 HydrophobicContact CE1-CG 4.4Å; Y80-L290 HydrophobicContact CE2-CD1 4.43Å; Y80-L290 HydrophobicContact CE2-CD2 4.19Å; Y80-L290 HydrophobicContact CG-CD1 4.38Å; Y280-L290 HydrophobicContact CD1-CD2 3.41Å; Y280-L290 VanDerWaalsContact CD1-CD2 3.41Å; Y280-L290 HydrophobicContact CD1-CG 4.46Å; Y280-L290 HydrophobicContact CE1-CD2 3.65Å; P281-L290 HydrophobicContact CG-CG 4.33Å; P281-L290 WeakPolarHBondContact CG-O 3.37Å; P283-L290 HydrophobicContact CB-CD1 3.75Å; P283-L290 HydrophobicContact CG-CD1 4.37Å
291	G	82.4	Confident	88.1	Confident	16 Å²	16	44 Å²	44	17%	0.165	24%	0.242	C	C	.	.			trans	99	176.9	-172.4	0	0	0	0	0	113.1	F289 H293	F289-G291 VanDerWaalsContact C-N 3.29Å; F289-G291 PolarHBondContact O-N 3.36Å; G291-H293 PolarHBondContact O-ND1 2.77Å
292	V	89.9	Confident	88.1	Confident	5 Å²	5	43.8 Å²	43.8	3%	0.03	24%	0.241	C	C	.	.			trans	-73.3	137.2	-174.4	-59.4	0	0	0	0	111.4	Q360 R363 L364	V292-Q360 HydrophobicContact CG1-CG 3.85Å; V292-R363 HydrophobicContact CG2-CB 3.82Å; V292-L364 HydrophobicContact CB-CD2 4.03Å; V292-L364 HydrophobicContact CB-CG 4.32Å; V292-L364 HydrophobicContact CG2-CD2 3.82Å; V292-L364 HydrophobicContact CG2-CG 3.84Å
293	H	95.7	Very high	88.2	Confident	14 Å²	14	43.4 Å²	43.4	7%	0.065	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	171.4	-176	49.2	-92.5	0	0	0	110.8	I279 Y280 G291 T295 L304 G305 P306	I279-H293 CarbonylContact O-C 3.33Å; I279-H293 WeakPolarHBondContact O-CA 3.39Å; I279-H293 WeakPolarHBondContact O-CB 3.49Å; Y280-H293 HydrophobicContact CD1-CB 3.9Å; Y280-H293 AromaticContact CD1-CG 3.84Å; Y280-H293 HydrophobicContact CD2-CB 4.07Å; Y280-H293 HydrophobicContact CE1-CB 4.07Å; Y280-H293 AromaticContact CE1-CD2 3.49Å; Y280-H293 VanDerWaalsContact CE1-CD2 3.49Å; Y280-H293 WeakPolarHBondContact CE1-CD2 3.48Å; Y280-H293 AromaticContact CE1-CE1 3.73Å; Y280-H293 AromaticContact CE1-CG 3.53Å; Y280-H293 AromaticContact CE1-ND1 3.69Å; Y280-H293 AromaticContact CE1-NE2 3.59Å; Y280-H293 HydrophobicContact CE2-CB 4.2Å; Y280-H293 AromaticContact CE2-CD2 3.71Å; Y280-H293 HydrophobicContact CG-CB 3.91Å; Y280-H293 AromaticContact CZ-CD2 3.18Å; Y280-H293 AromaticContact CZ-CG 3.67Å; Y280-H293 AromaticContact CZ-NE2 3.46Å; Y280-H293 PolarHBondContact OH-CD2 3.47Å; Y280-H293 PolarHBondContact OH-NE2 2.9Å; G291-H293 PolarHBondContact O-ND1 2.77Å; H293-T295 PolarHBondContact CD2-OG1 3.05Å; H293-L304 CarbonylContact O-C 3.49Å; H293-L304 VanDerWaalsContact O-CA 3.3Å; H293-L304 WeakPolarHBondContact O-CA 3.31Å; H293-G305 PolarHBondContact CD2-O 2.72Å; H293-G305 VanDerWaalsContact CD2-O 3.31Å; H293-G305 PolarHBondContact CE1-O 3.35Å; H293-G305 PolarHBondContact N-O 3.16Å; H293-G305 PolarHBondContact ND1-O 3.04Å; H293-G305 PolarHBondContact NE2-O 2.76Å; H293-G305 PolarHBondContact O-N 3.45Å; H293-P306 WeakPolarHBondContact CE1-CD 3.46Å
294	F	98.2	Very high	88.5	Confident	1 Å²	1	42.2 Å²	42.2	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	129.6	175	-58	-103.8	0	0	0	109.5	I275 N278 I279 L303 L304 L364 Y367 V368 L371	I275-F294 HydrophobicContact CD1-CB 4.22Å; I275-F294 HydrophobicContact CD1-CD1 3.52Å; I275-F294 HydrophobicContact CD1-CE1 3.91Å; I275-F294 HydrophobicContact CD1-CG 3.92Å; I275-F294 HydrophobicContact CG1-CB 4.38Å; I275-F294 HydrophobicContact CG1-CD1 3.82Å; I275-F294 HydrophobicContact CG1-CE1 4.47Å; I275-F294 HydrophobicContact CG1-CG 4.39Å; I275-F294 HydrophobicContact CG2-CB 4.01Å; N278-F294 WeakPolarHBondContact CA-O 3.42Å; I279-F294 HydrophobicContact CB-CB 4.13Å; I279-F294 HydrophobicContact CB-CD2 3.89Å; I279-F294 HydrophobicContact CB-CG 4.39Å; I279-F294 HydrophobicContact CD1-CB 4.45Å; I279-F294 HydrophobicContact CD1-CD2 4.24Å; I279-F294 HydrophobicContact CD1-CG 4.4Å; I279-F294 HydrophobicContact CG1-CB 4.44Å; I279-F294 HydrophobicContact CG2-CD2 4.28Å; I279-F294 PolarHBondContact N-O 2.8Å; I279-F294 PolarHBondContact O-N 3.25Å; F294-L303 WeakPolarHBondContact CA-O 3.26Å; F294-L304 HydrophobicContact CD1-CD2 3.9Å; F294-L304 HydrophobicContact CD1-CG 4.15Å; F294-L304 HydrophobicContact CE1-CD2 3.62Å; F294-L304 HydrophobicContact CE1-CG 4.37Å; F294-L364 HydrophobicContact CD2-CD2 3.91Å; F294-L364 HydrophobicContact CE1-CB 4.49Å; F294-L364 HydrophobicContact CE1-CD2 4.31Å; F294-L364 HydrophobicContact CE2-CB 4.08Å; F294-L364 HydrophobicContact CE2-CD2 3.49Å; F294-L364 VanDerWaalsContact CE2-CD2 3.49Å; F294-L364 HydrophobicContact CE2-CG 4.4Å; F294-L364 HydrophobicContact CG-CD2 4.49Å; F294-L364 HydrophobicContact CZ-CB 3.69Å; F294-L364 HydrophobicContact CZ-CD2 3.75Å; F294-L364 HydrophobicContact CZ-CG 4.26Å; F294-Y367 HydrophobicContact CE2-CD2 4.45Å; F294-V368 HydrophobicContact CE1-CB 4.37Å; F294-V368 HydrophobicContact CE1-CG2 4.1Å; F294-V368 HydrophobicContact CE2-CG2 3.91Å; F294-V368 HydrophobicContact CZ-CB 3.86Å; F294-V368 HydrophobicContact CZ-CG2 3.62Å; F294-L371 HydrophobicContact CE1-CD2 4.02Å; F294-L371 HydrophobicContact CZ-CD2 4.05Å
295	T	97.9	Very high	89.1	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	107.8	179.1	-64.7	0	0	0	0	110.4	S72 V74 I170 Y280 H293 V302 L303	S72-T295 VanDerWaalsContact O-CG2 3.28Å; S72-T295 WeakPolarHBondContact O-CG2 3.31Å; V74-T295 HydrophobicContact CG2-CG2 3.51Å; I170-T295 HydrophobicContact CG2-CG2 4.48Å; Y280-T295 PolarHBondContact OH-OG1 2.8Å; H293-T295 PolarHBondContact CD2-OG1 3.05Å; T295-V302 WeakPolarHBondContact O-CA 3.27Å; T295-L303 PolarHBondContact N-O 2.81Å; T295-L303 PolarHBondContact O-N 3.47Å
296	P	97.9	Very high	90	Very high	11 Å²	11	36.4 Å²	36.4	7%	0.071	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	155.6	169.7	28.4	-33.3	0	0	0	110.9	I170 G277 V302	I170-P296 HydrophobicContact CD1-CB 4.28Å; I170-P296 HydrophobicContact CD1-CG 4.31Å; I170-P296 WeakPolarHBondContact CD1-O 3.48Å; I170-P296 WeakPolarHBondContact CG2-O 3.48Å; G277-P296 WeakPolarHBondContact O-CD 3.24Å; P296-V302 HydrophobicContact CB-CG2 4.49Å
297	R	97.3	Very high	90.8	Very high	61 Å²	61	28.7 Å²	28.7	23%	0.23	16%	0.164	C	C	.	.			trans	-124.2	159.8	-176.8	-59.4	-86.3	-106.8	-146.1	-3.1	109.7	N71 S72 D299 G300 S301 L303	N71-R297 PolarHBondContact O-NH1 2.76Å; S72-R297 PolarHBondContact O-NH1 2.97Å; R297-D299 WeakPolarHBondContact CB-OD1 3.48Å; R297-D299 PolarHBondContact O-N 3.48Å; R297-G300 PolarHBondContact O-N 3.15Å; R297-G300 VanDerWaalsContact O-N 3.11Å; R297-S301 VanDerWaalsContact CB-O 3.24Å; R297-S301 WeakPolarHBondContact CB-O 3.4Å; R297-S301 WeakPolarHBondContact CB-OG 3.15Å; R297-S301 WeakPolarHBondContact CG-O 3.27Å; R297-S301 WeakPolarHBondContact CG-OG 3.29Å; R297-S301 PolarHBondContact N-O 3.27Å; R297-L303 HydrophobicContact CG-CG 4.21Å
298	L	95.8	Very high	91.5	Very high	76 Å²	76	26.1 Å²	26.1	40%	0.398	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-26.2	178.9	-69.3	-177.6	0	0	0	113	P108 K110 I170 G300	P108-L298 HydrophobicContact CB-CD1 4.27Å; P108-L298 VanDerWaalsContact O-CD1 3.3Å; P108-L298 WeakPolarHBondContact O-CD1 3.32Å; K110-L298 HydrophobicContact CB-CD2 3.96Å; I170-L298 HydrophobicContact CD1-CD2 4.18Å; I170-L298 HydrophobicContact CG1-CD2 4.05Å; L298-G300 PolarHBondContact O-N 3.4Å
299	D	95.2	Very high	92.3	Very high	126 Å²	126	25.6 Å²	25.6	67%	0.674	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	2.7	175.4	66.9	2	0	0	0	113.5	R297 S301	R297-D299 WeakPolarHBondContact CB-OD1 3.48Å; R297-D299 PolarHBondContact O-N 3.48Å; D299-S301 VanDerWaalsContact C-N 3.28Å; D299-S301 PolarHBondContact O-N 2.88Å; D299-S301 VanDerWaalsContact OD1-CB 3.27Å; D299-S301 WeakPolarHBondContact OD1-CB 3.3Å; D299-S301 PolarHBondContact OD1-N 3.41Å; D299-S301 PolarHBondContact OD1-OG 2.7Å; D299-S301 PolarHBondContact OD2-OG 2.79Å
300	G	95.6	Very high	93	Very high	45 Å²	45	26.8 Å²	26.8	46%	0.464	16%	0.157	S	C	.	.	S	Bend	trans	83.8	-7.1	-178.1	0	0	0	0	0	114.6	S272 R297 L298	S272-G300 WeakPolarHBondContact CB-O 3.3Å; R297-G300 PolarHBondContact O-N 3.15Å; R297-G300 VanDerWaalsContact O-N 3.11Å; L298-G300 PolarHBondContact O-N 3.4Å
301	S	97.3	Very high	94	Very high	27 Å²	27	24.4 Å²	24.4	19%	0.189	15%	0.145	C	C	.	.			trans	-70.5	156.8	172.1	70.2	0	0	0	0	111.2	R297 D299	R297-S301 VanDerWaalsContact CB-O 3.24Å; R297-S301 WeakPolarHBondContact CB-O 3.4Å; R297-S301 WeakPolarHBondContact CB-OG 3.15Å; R297-S301 WeakPolarHBondContact CG-O 3.27Å; R297-S301 WeakPolarHBondContact CG-OG 3.29Å; R297-S301 PolarHBondContact N-O 3.27Å; D299-S301 VanDerWaalsContact C-N 3.28Å; D299-S301 PolarHBondContact O-N 2.88Å; D299-S301 VanDerWaalsContact OD1-CB 3.27Å; D299-S301 WeakPolarHBondContact OD1-CB 3.3Å; D299-S301 PolarHBondContact OD1-N 3.41Å; D299-S301 PolarHBondContact OD1-OG 2.7Å; D299-S301 PolarHBondContact OD2-OG 2.79Å
302	V	98.3	Very high	94.5	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.018	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	118	174.9	-176.7	0	0	0	0	108.4	V266 L267 I275 T295 P296	V266-V302 WeakPolarHBondContact CA-O 3.32Å; L267-V302 HydrophobicContact CB-CB 4.11Å; L267-V302 HydrophobicContact CD1-CB 3.81Å; L267-V302 HydrophobicContact CD1-CG1 3.92Å; L267-V302 HydrophobicContact CD1-CG2 4.19Å; L267-V302 HydrophobicContact CG-CB 4.08Å; L267-V302 HydrophobicContact CG-CG1 4.34Å; L267-V302 PolarHBondContact N-O 3.49Å; I275-V302 HydrophobicContact CB-CG1 4.02Å; I275-V302 HydrophobicContact CB-CG2 4.31Å; I275-V302 HydrophobicContact CG1-CG1 4.01Å; I275-V302 HydrophobicContact CG2-CG1 4.11Å; T295-V302 WeakPolarHBondContact O-CA 3.27Å; P296-V302 HydrophobicContact CB-CG2 4.49Å
303	L	97.8	Very high	94.8	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.016	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	140.9	173.6	-63.9	-160	0	0	0	110.6	Y264 L265 V266 F294 T295 R297 P380	Y264-L303 HydrophobicContact CD1-CB 3.79Å; Y264-L303 HydrophobicContact CD1-CD1 3.7Å; Y264-L303 HydrophobicContact CD1-CG 4.36Å; Y264-L303 HydrophobicContact CD2-CD1 4.08Å; Y264-L303 HydrophobicContact CE1-CB 4.31Å; Y264-L303 HydrophobicContact CE1-CD1 3.92Å; Y264-L303 HydrophobicContact CE2-CD1 4.32Å; Y264-L303 HydrophobicContact CG-CB 4.36Å; Y264-L303 HydrophobicContact CG-CD1 3.75Å; L265-L303 WeakPolarHBondContact O-CA 3.4Å; V266-L303 HydrophobicContact CG2-CD2 3.68Å; F294-L303 WeakPolarHBondContact CA-O 3.26Å; T295-L303 PolarHBondContact N-O 2.81Å; T295-L303 PolarHBondContact O-N 3.47Å; R297-L303 HydrophobicContact CG-CG 4.21Å; L303-P380 HydrophobicContact CD2-CG 4.35Å
304	L	97	Very high	94.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	129.9	170.4	-37.4	83.5	0	0	0	109.5	Y264 L265 V266 L267 H293 F294 L364 L371 V376	Y264-L304 WeakPolarHBondContact CA-O 3.36Å; L265-L304 HydrophobicContact CB-CB 4.25Å; L265-L304 HydrophobicContact CB-CD1 3.9Å; L265-L304 PolarHBondContact N-O 3.34Å; L265-L304 WeakPolarHBondContact O-CD1 3.45Å; L265-L304 PolarHBondContact O-N 3.24Å; V266-L304 VanDerWaalsContact C-CD1 3.5Å; L267-L304 HydrophobicContact CB-CD1 4.45Å; L267-L304 HydrophobicContact CD2-CD1 4.12Å; L267-L304 HydrophobicContact CD2-CD2 3.88Å; L267-L304 HydrophobicContact CD2-CG 4.47Å; L267-L304 HydrophobicContact CG-CD1 3.86Å; L267-L304 HydrophobicContact CG-CD2 4.19Å; L267-L304 HydrophobicContact CG-CG 4.28Å; L267-L304 VanDerWaalsContact N-CD1 3.29Å; H293-L304 CarbonylContact O-C 3.49Å; H293-L304 VanDerWaalsContact O-CA 3.3Å; H293-L304 WeakPolarHBondContact O-CA 3.31Å; F294-L304 HydrophobicContact CD1-CD2 3.9Å; F294-L304 HydrophobicContact CD1-CG 4.15Å; F294-L304 HydrophobicContact CE1-CD2 3.62Å; F294-L304 HydrophobicContact CE1-CG 4.37Å; L304-L364 HydrophobicContact CB-CD1 3.6Å; L304-L364 HydrophobicContact CB-CD2 4.38Å; L304-L364 HydrophobicContact CD2-CD1 3.79Å; L304-L364 HydrophobicContact CG-CD1 4.37Å; L304-L371 HydrophobicContact CD2-CD1 4.23Å; L304-L371 HydrophobicContact CD2-CD2 3.88Å; L304-V376 HydrophobicContact CD1-CG1 3.89Å; L304-V376 HydrophobicContact CD2-CG1 3.86Å
305	G	93.6	Very high	94.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	122.3	-146	-174.7	0	0	0	0	0	111.6	H293	H293-G305 PolarHBondContact CD2-O 2.72Å; H293-G305 VanDerWaalsContact CD2-O 3.31Å; H293-G305 PolarHBondContact CE1-O 3.35Å; H293-G305 PolarHBondContact N-O 3.16Å; H293-G305 PolarHBondContact ND1-O 3.04Å; H293-G305 PolarHBondContact NE2-O 2.76Å; H293-G305 PolarHBondContact O-N 3.45Å
306	P	92.3	Very high	94.6	Very high	28 Å²	28	29.3 Å²	29.3	18%	0.182	17%	0.167	C	C	.	.			cis	-78.7	166.4	-9.3	35	-30.8	0	0	0	111.2	D263 Y264 H293	D263-P306 WeakPolarHBondContact O-CA 3.12Å; Y264-P306 HydrophobicContact CD1-CB 4.06Å; Y264-P306 HydrophobicContact CD2-CB 4.16Å; Y264-P306 HydrophobicContact CE1-CB 3.75Å; Y264-P306 HydrophobicContact CE1-CG 3.86Å; Y264-P306 VanDerWaalsContact CE1-N 3.35Å; Y264-P306 HydrophobicContact CE2-CB 3.82Å; Y264-P306 HydrophobicContact CE2-CG 4.21Å; Y264-P306 HydrophobicContact CG-CB 4.28Å; Y264-P306 WeakPolarHBondContact OH-CG 3.33Å; H293-P306 WeakPolarHBondContact CE1-CD 3.46Å
307	N	88.3	Confident	94.5	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.027	17%	0.172	C	C	.	.			trans	-73.8	-178.9	156.1	63.9	4.1	0	0	0	110.4	G262 D263 I309 E350 G354	G262-N307 WeakPolarHBondContact CA-O 3.19Å; D263-N307 PolarHBondContact N-OD1 3.47Å; D263-N307 PolarHBondContact O-N 3.21Å; N307-I309 VanDerWaalsContact ND2-CD1 3.29Å; N307-I309 WeakPolarHBondContact ND2-CD1 3.3Å; N307-E350 WeakPolarHBondContact CA-OE2 3.32Å; N307-E350 WeakPolarHBondContact CB-OE2 3.42Å; N307-G354 WeakPolarHBondContact ND2-CA 3.38Å
308	A	88.6	Confident	94.2	Very high	12 Å²	12	29.2 Å²	29.2	10%	0.099	17%	0.173	C	C	.	.			trans	-133.8	105.8	172.7	0	0	0	0	0	111.3	F289 E350	F289-A308 HydrophobicContact CB-CB 3.99Å; F289-A308 HydrophobicContact CD1-CB 3.73Å; F289-A308 HydrophobicContact CD2-CB 3.39Å; F289-A308 HydrophobicContact CE1-CB 4.04Å; F289-A308 HydrophobicContact CE2-CB 3.72Å; F289-A308 HydrophobicContact CG-CB 3.4Å; F289-A308 HydrophobicContact CZ-CB 4.05Å; A308-E350 PolarHBondContact N-OE2 2.87Å; A308-E350 WeakPolarHBondContact O-CB 3.35Å
309	I	89.6	Confident	93.8	Very high	24 Å²	24	31.1 Å²	31.1	12%	0.123	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	136.4	-178.4	-60.6	175.2	0	0	0	109.1	F260 R261 N307 S311 I351	F260-I309 CarbonylContact C-O 3.48Å; F260-I309 WeakPolarHBondContact CA-O 3.39Å; R261-I309 PolarHBondContact N-O 2.86Å; R261-I309 PolarHBondContact O-N 2.73Å; N307-I309 VanDerWaalsContact ND2-CD1 3.29Å; N307-I309 WeakPolarHBondContact ND2-CD1 3.3Å; I309-S311 PolarHBondContact O-N 3.2Å; I309-I351 HydrophobicContact CG2-CG1 4.19Å
310	L	91.2	Very high	93.5	Very high	53 Å²	53	33.7 Å²	33.7	28%	0.277	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	120.3	171.5	177.6	63.7	0	0	0	109.7	V258 F260 L330 L336 I340	V258-L310 HydrophobicContact CG1-CD1 3.34Å; F260-L310 HydrophobicContact CE1-CB 4.43Å; L310-L330 HydrophobicContact CD1-CD1 4.4Å; L310-L336 HydrophobicContact CD1-CD2 4.43Å; L310-L336 HydrophobicContact CD2-CD2 4.42Å; L310-I340 HydrophobicContact CD2-CD1 4.17Å
311	S	93.5	Very high	93.5	Very high	2 Å²	2	35 Å²	35	1%	0.014	18%	0.178	C	C	.	.			trans	-84	140.7	174.3	-162.3	0	0	0	0	110.3	P259 I309 D313 L330	P259-S311 WeakPolarHBondContact CG-O 3.43Å; P259-S311 WeakPolarHBondContact O-CB 3.38Å; P259-S311 PolarHBondContact O-N 2.89Å; I309-S311 PolarHBondContact O-N 3.2Å; S311-D313 VanDerWaalsContact C-N 3.32Å; S311-D313 VanDerWaalsContact CB-O 3.31Å; S311-D313 WeakPolarHBondContact CB-O 3.21Å; S311-D313 PolarHBondContact OG-N 2.47Å; S311-D313 PolarHBondContact OG-O 2.71Å; S311-L330 WeakPolarHBondContact O-CD1 3.32Å
312	L	94.1	Very high	93.4	Very high	61 Å²	61	39 Å²	39	32%	0.319	19%	0.191	S	C	.	.	B	Isolated β-bridge	trans	-96.3	8.3	172.5	-56.8	-175.1	0	0	0	112.3	F322 N323 Y327	L312-F322 HydrophobicContact CB-CD2 3.88Å; L312-F322 HydrophobicContact CB-CE2 4.43Å; L312-F322 HydrophobicContact CD1-CD2 3.93Å; L312-F322 HydrophobicContact CD1-CE2 4.18Å; L312-N323 PolarHBondContact O-N 3.37Å; L312-Y327 HydrophobicContact CD1-CD2 4.3Å; L312-Y327 HydrophobicContact CD2-CD2 4.15Å
313	D	96.1	Very high	93.3	Very high	30 Å²	30	41.6 Å²	41.6	16%	0.16	21%	0.205	C	C	.	.	S	Bend	trans	-139.3	125.4	170.9	-173.7	-27.5	0	0	0	107.6	S311 E315 G316 D321 N323 D326	S311-D313 VanDerWaalsContact C-N 3.32Å; S311-D313 VanDerWaalsContact CB-O 3.31Å; S311-D313 WeakPolarHBondContact CB-O 3.21Å; S311-D313 PolarHBondContact OG-N 2.47Å; S311-D313 PolarHBondContact OG-O 2.71Å; D313-E315 PolarHBondContact O-N 2.78Å; D313-E315 PolarHBondContact OD1-N 3.12Å; D313-G316 PolarHBondContact OD1-N 3.42Å; D313-D321 HydrophobicContact CB-CB 4.19Å; D313-N323 HydrophobicContact CB-CB 4.01Å; D313-D326 WeakPolarHBondContact CA-OD2 3.48Å
314	R	95.9	Very high	93.2	Very high	1 Å²	1	48.5 Å²	48.5	0%	0.004	24%	0.235	C	C	.	.	S	Bend	trans	-62	-29	-179.1	-76.3	176	176.6	-123.3	4.1	112.2	L240 D243 I257 P259 D326 I383	L240-R314 WeakPolarHBondContact CD1-O 3.17Å; L240-R314 PolarHBondContact O-NH1 3.2Å; D243-R314 IonicContact OD1-CZ 2.86Å; D243-R314 IonicContact OD1-NH1 2.8Å; D243-R314 PolarHBondContact OD1-NH1 2.93Å; D243-R314 IonicContact OD1-NH2 3.36Å; D243-R314 PolarHBondContact OD1-NH2 3.36Å; D243-R314 IonicContact OD2-CZ 3.73Å; D243-R314 IonicContact OD2-NH1 3.67Å; D243-R314 PolarHBondContact OD2-NH1 3.33Å; D243-R314 IonicContact OD2-NH2 3.55Å; D243-R314 PolarHBondContact OD2-NH2 3.18Å; I257-R314 VanDerWaalsContact O-CZ 3.31Å; I257-R314 PolarHBondContact O-NH2 2.86Å; P259-R314 HydrophobicContact CB-CB 4.48Å; P259-R314 HydrophobicContact CB-CG 4.23Å; P259-R314 HydrophobicContact CG-CB 4.47Å; P259-R314 HydrophobicContact CG-CG 3.83Å; R314-D326 HydrophobicContact CG-CB 4.49Å; R314-D326 PolarHBondContact N-OD2 3.1Å; R314-I383 WeakPolarHBondContact O-CD1 3.32Å
315	E	96	Very high	93.1	Very high	44 Å²	44	54.8 Å²	54.8	21%	0.206	26%	0.263	C	S	.	.	S	Bend	trans	-126.4	11.6	-175.3	-68	164.6	175.5	0	0	112	K59 H66 L240 Q241 D313 Y317	K59-E315 WeakPolarHBondContact CE-OE1 3.13Å; K59-E315 IonicContact NZ-OE1 2.72Å; K59-E315 PolarHBondContact NZ-OE1 2.93Å; K59-E315 IonicContact NZ-OE2 3.95Å; K59-E315 PolarHBondContact NZ-OE2 2.91Å; H66-E315 IonicContact CD2-OE1 2.66Å; H66-E315 IonicContact NE2-OE1 3.66Å; H66-E315 IonicContact NE2-OE2 2.81Å; L240-E315 HydrophobicContact CD1-CG 4.22Å; Q241-E315 PolarHBondContact NE2-OE1 3.24Å; D313-E315 PolarHBondContact O-N 2.78Å; D313-E315 PolarHBondContact OD1-N 3.12Å; E315-Y317 WeakPolarHBondContact O-CD2 3.38Å; E315-Y317 WeakPolarHBondContact O-CE2 3.19Å; E315-Y317 PolarHBondContact O-N 2.83Å
316	G	95.6	Very high	93.2	Very high	3 Å²	3	55 Å²	55	3%	0.031	26%	0.264	C	S	.	.			trans	-86.8	104.1	175.7	0	0	0	0	0	112.4	D313 D321 I383	D313-G316 PolarHBondContact OD1-N 3.42Å; G316-D321 WeakPolarHBondContact CA-OD2 3.32Å; G316-I383 WeakPolarHBondContact O-CD1 3.4Å
317	Y	94.7	Very high	93.3	Very high	44 Å²	44	59 Å²	59	17%	0.173	28%	0.276	C	S	.	.			trans	-83.9	-14.9	-178.4	-63	-76	0	0	0	112.6	H66 H70 E315 D321 S381 I383	H66-Y317 WeakPolarHBondContact CA-OH 3.48Å; H66-Y317 VanDerWaalsContact CB-OH 3.27Å; H66-Y317 WeakPolarHBondContact CB-OH 3.3Å; H66-Y317 AromaticContact ND1-CE2 3.92Å; H66-Y317 PolarHBondContact ND1-OH 2.69Å; H70-Y317 HydrophobicContact CB-CD1 4.49Å; H70-Y317 HydrophobicContact CB-CE1 3.94Å; H70-Y317 AromaticContact CE1-CD2 3.74Å; H70-Y317 AromaticContact CE1-CE1 3.95Å; H70-Y317 AromaticContact CE1-CE2 3.64Å; H70-Y317 AromaticContact CE1-CG 3.95Å; H70-Y317 AromaticContact CE1-CZ 3.77Å; H70-Y317 AromaticContact CG-CE1 3.82Å; H70-Y317 AromaticContact ND1-CD1 3.22Å; H70-Y317 WeakPolarHBondContact ND1-CD1 3.4Å; H70-Y317 AromaticContact ND1-CD2 3.68Å; H70-Y317 AromaticContact ND1-CE1 2.95Å; H70-Y317 WeakPolarHBondContact ND1-CE1 3.3Å; H70-Y317 AromaticContact ND1-CE2 3.43Å; H70-Y317 WeakPolarHBondContact ND1-CE2 3.37Å; H70-Y317 AromaticContact ND1-CG 3.59Å; H70-Y317 AromaticContact ND1-CZ 3.09Å; E315-Y317 WeakPolarHBondContact O-CD2 3.38Å; E315-Y317 WeakPolarHBondContact O-CE2 3.19Å; E315-Y317 PolarHBondContact O-N 2.83Å; Y317-D321 PolarHBondContact N-OD2 3.32Å; Y317-D321 VanDerWaalsContact N-OD2 3.08Å; Y317-S381 WeakPolarHBondContact CA-OG 3.09Å; Y317-S381 WeakPolarHBondContact CB-OG 3.38Å; Y317-S381 PolarHBondContact O-OG 2.89Å; Y317-I383 HydrophobicContact CD1-CD1 3.83Å; Y317-I383 HydrophobicContact CD1-CG1 3.78Å; Y317-I383 HydrophobicContact CE1-CB 4.1Å; Y317-I383 HydrophobicContact CE1-CD1 3.65Å; Y317-I383 HydrophobicContact CE1-CG1 3.59Å; Y317-I383 HydrophobicContact CG-CD1 4.35Å
318	G	92.3	Very high	93.6	Very high	26 Å²	26	64.6 Å²	64.6	27%	0.268	30%	0.3	S	S	.	.	S	Bend	trans	-71.5	157.7	174.3	0	0	0	0	0	113	R261 F320 D321	R261-G318 PolarHBondContact NH1-O 3.2Å; G318-F320 VanDerWaalsContact C-N 3.27Å; G318-F320 PolarHBondContact O-N 3.13Å; G318-D321 VanDerWaalsContact CA-CG 3.46Å; G318-D321 WeakPolarHBondContact CA-OD1 3.1Å; G318-D321 WeakPolarHBondContact CA-OD2 3.39Å; G318-D321 VanDerWaalsContact N-CG 3.35Å; G318-D321 PolarHBondContact N-OD2 3.32Å
319	R	86.4	Confident	93.8	Very high	116 Å²	116	66.3 Å²	66.3	44%	0.438	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-30.1	-177.7	-85.7	-178.5	-85.7	154.5	0.2	113.8	R261 R378	R261-R319 VanDerWaalsContact NH1-CA 3.27Å; R261-R319 PolarHBondContact NH1-O 3.32Å; R261-R319 VanDerWaalsContact NH1-O 3.1Å; R319-R378 VanDerWaalsContact NH1-CZ 3.34Å; R319-R378 VanDerWaalsContact NH2-CD 3.28Å
320	F	89.1	Confident	93.9	Very high	181 Å²	181	65.4 Å²	65.4	79%	0.794	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	10.8	-175.3	-54.3	-69.8	0	0	0	112.4	G318 F322	G318-F320 VanDerWaalsContact C-N 3.27Å; G318-F320 PolarHBondContact O-N 3.13Å; F320-F322 PolarHBondContact O-N 2.67Å
321	D	94.9	Very high	94	Very high	73 Å²	73	65.1 Å²	65.1	39%	0.39	31%	0.309	S	S	.	.			trans	-62	134	177.8	-68.2	3.9	0	0	0	108.9	D313 G316 Y317 G318	D313-D321 HydrophobicContact CB-CB 4.19Å; G316-D321 WeakPolarHBondContact CA-OD2 3.32Å; Y317-D321 PolarHBondContact N-OD2 3.32Å; Y317-D321 VanDerWaalsContact N-OD2 3.08Å; G318-D321 VanDerWaalsContact CA-CG 3.46Å; G318-D321 WeakPolarHBondContact CA-OD1 3.1Å; G318-D321 WeakPolarHBondContact CA-OD2 3.39Å; G318-D321 VanDerWaalsContact N-CG 3.35Å; G318-D321 PolarHBondContact N-OD2 3.32Å
322	F	95.9	Very high	93.9	Very high	110 Å²	110	67.8 Å²	67.8	48%	0.482	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-143.3	127.1	-172.5	175.8	-94.3	0	0	0	109	L312 F320 F324 Y327	L312-F322 HydrophobicContact CB-CD2 3.88Å; L312-F322 HydrophobicContact CB-CE2 4.43Å; L312-F322 HydrophobicContact CD1-CD2 3.93Å; L312-F322 HydrophobicContact CD1-CE2 4.18Å; F320-F322 PolarHBondContact O-N 2.67Å; F322-F324 HydrophobicContact CE1-CB 4.01Å; F322-F324 HydrophobicContact CE1-CD2 4.32Å; F322-F324 HydrophobicContact CZ-CB 4.5Å; F322-F324 HydrophobicContact CZ-CD2 4.3Å; F322-Y327 HydrophobicContact CE2-CD2 4.03Å; F322-Y327 AromaticContact CE2-CG 3.89Å; F322-Y327 HydrophobicContact CE2-CG 3.89Å; F322-Y327 HydrophobicContact CZ-CG 4.12Å
323	N	97.2	Very high	93.8	Very high	58 Å²	58	65.2 Å²	65.2	31%	0.31	31%	0.314	S	S	.	.			trans	-120.7	118	172.7	-175	-67.5	0	0	0	109.3	L312 D313 K325 D326 Y327	L312-N323 PolarHBondContact O-N 3.37Å; D313-N323 HydrophobicContact CB-CB 4.01Å; N323-K325 VanDerWaalsContact C-N 3.28Å; N323-K325 PolarHBondContact O-N 2.91Å; N323-K325 WeakPolarHBondContact OD1-CB 3.38Å; N323-K325 PolarHBondContact OD1-N 3.42Å; N323-D326 HydrophobicContact CB-CB 3.93Å; N323-D326 WeakPolarHBondContact CB-OD2 3.41Å; N323-D326 PolarHBondContact O-N 3.45Å; N323-D326 PolarHBondContact OD1-N 3.07Å; N323-Y327 WeakPolarHBondContact O-CB 3.41Å; N323-Y327 PolarHBondContact O-N 2.97Å
324	F	96	Very high	93.6	Very high	147 Å²	147	66.8 Å²	66.8	65%	0.645	33%	0.326	S	S	*	.	H	α-helix	trans	-59.6	-38.6	-175.8	-177.4	-101.1	0	0	0	113	F322 F328	F322-F324 HydrophobicContact CE1-CB 4.01Å; F322-F324 HydrophobicContact CE1-CD2 4.32Å; F322-F324 HydrophobicContact CZ-CB 4.5Å; F322-F324 HydrophobicContact CZ-CD2 4.3Å; F324-F328 PolarHBondContact O-N 3.1Å
325	K	94.8	Very high	93.4	Very high	133 Å²	133	66.8 Å²	66.8	58%	0.578	33%	0.327	S	S	*	.	H	α-helix	trans	-67.6	-44.5	178.3	-177.3	-176.4	177.3	176.6	0	111	N323 F328 D329	N323-K325 VanDerWaalsContact C-N 3.28Å; N323-K325 PolarHBondContact O-N 2.91Å; N323-K325 WeakPolarHBondContact OD1-CB 3.38Å; N323-K325 PolarHBondContact OD1-N 3.42Å; K325-F328 PolarHBondContact O-N 2.85Å; K325-D329 PolarHBondContact O-N 3.43Å
326	D	95.8	Very high	93.2	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-62.8	-45.1	176.8	-64.4	-16	0	0	0	111.1	R244 D313 R314 N323 F328 D329 L330	R244-D326 IonicContact CZ-OD1 3.54Å; R244-D326 IonicContact NH1-OD1 3.82Å; R244-D326 PolarHBondContact NH1-OD1 2.96Å; R244-D326 IonicContact NH2-OD1 3.13Å; R244-D326 PolarHBondContact NH2-OD1 3.38Å; D313-D326 WeakPolarHBondContact CA-OD2 3.48Å; R314-D326 HydrophobicContact CG-CB 4.49Å; R314-D326 PolarHBondContact N-OD2 3.1Å; N323-D326 HydrophobicContact CB-CB 3.93Å; N323-D326 WeakPolarHBondContact CB-OD2 3.41Å; N323-D326 PolarHBondContact O-N 3.45Å; N323-D326 PolarHBondContact OD1-N 3.07Å; D326-F328 VanDerWaalsContact C-N 3.34Å; D326-F328 PolarHBondContact O-N 3.09Å; D326-D329 PolarHBondContact O-N 3.29Å; D326-L330 WeakPolarHBondContact O-CB 3.46Å; D326-L330 WeakPolarHBondContact O-CG 3.46Å; D326-L330 PolarHBondContact O-N 3.37Å
327	Y	94.4	Very high	93.1	Very high	111 Å²	111	71.7 Å²	71.7	44%	0.435	34%	0.343	S	S	.	.	H	α-helix	trans	-54.7	-48.5	175	171.2	-94.8	0	0	0	111.9	L312 F322 N323 L330 A331	L312-Y327 HydrophobicContact CD1-CD2 4.3Å; L312-Y327 HydrophobicContact CD2-CD2 4.15Å; F322-Y327 HydrophobicContact CE2-CD2 4.03Å; F322-Y327 AromaticContact CE2-CG 3.89Å; F322-Y327 HydrophobicContact CE2-CG 3.89Å; F322-Y327 HydrophobicContact CZ-CG 4.12Å; N323-Y327 WeakPolarHBondContact O-CB 3.41Å; N323-Y327 PolarHBondContact O-N 2.97Å; Y327-L330 PolarHBondContact O-N 2.85Å; Y327-A331 WeakPolarHBondContact O-CB 3.39Å; Y327-A331 PolarHBondContact O-N 3.05Å
328	F	94.2	Very high	92.9	Very high	123 Å²	123	74.6 Å²	74.6	54%	0.539	36%	0.356	S	S	.	.	H	α-helix	trans	-65	-42.3	-179.4	-174.2	-93.7	0	0	0	112.5	F324 K325 D326 L330 A331 S332	F324-F328 PolarHBondContact O-N 3.1Å; K325-F328 PolarHBondContact O-N 2.85Å; D326-F328 VanDerWaalsContact C-N 3.34Å; D326-F328 PolarHBondContact O-N 3.09Å; F328-L330 VanDerWaalsContact C-N 3.3Å; F328-L330 PolarHBondContact O-N 2.77Å; F328-A331 PolarHBondContact O-N 2.66Å; F328-S332 VanDerWaalsContact O-CB 3.3Å; F328-S332 WeakPolarHBondContact O-CB 3.49Å; F328-S332 PolarHBondContact O-N 3.1Å; F328-S332 PolarHBondContact O-OG 3.37Å
329	D	92.2	Very high	92.9	Very high	48 Å²	48	73.8 Å²	73.8	26%	0.257	35%	0.345	S	S	.	.	H	α-helix	trans	-58.8	-43.3	175.1	-77.7	-14.8	0	0	0	111.1	R244 K325 D326 S333	R244-D329 IonicContact CZ-OD2 3.72Å; R244-D329 IonicContact NE-OD2 3.93Å; R244-D329 PolarHBondContact NE-OD2 2.82Å; R244-D329 IonicContact NH2-OD2 2.65Å; R244-D329 PolarHBondContact NH2-OD2 3.18Å; K325-D329 PolarHBondContact O-N 3.43Å; D326-D329 PolarHBondContact O-N 3.29Å; D329-S333 PolarHBondContact O-N 2.63Å
330	L	92.6	Very high	93	Very high	6 Å²	6	71.6 Å²	71.6	3%	0.031	34%	0.342	C	S	.	.	H	α-helix	trans	-69.1	-47.5	179.2	-67.6	172.2	0	0	0	111.9	V258 P259 L310 S311 D326 Y327 F328 S332 S333 L336	V258-L330 HydrophobicContact CB-CD2 4.31Å; V258-L330 HydrophobicContact CG1-CD2 4.09Å; V258-L330 HydrophobicContact CG2-CD2 3.99Å; P259-L330 HydrophobicContact CG-CD1 4.32Å; L310-L330 HydrophobicContact CD1-CD1 4.4Å; S311-L330 WeakPolarHBondContact O-CD1 3.32Å; D326-L330 WeakPolarHBondContact O-CB 3.46Å; D326-L330 WeakPolarHBondContact O-CG 3.46Å; D326-L330 PolarHBondContact O-N 3.37Å; Y327-L330 PolarHBondContact O-N 2.85Å; F328-L330 VanDerWaalsContact C-N 3.3Å; F328-L330 PolarHBondContact O-N 2.77Å; L330-S332 PolarHBondContact O-N 3.23Å; L330-S333 WeakPolarHBondContact O-CB 3.31Å; L330-S333 PolarHBondContact O-N 3Å; L330-S333 VanDerWaalsContact O-N 3.11Å; L330-L336 HydrophobicContact CB-CD2 3.77Å; L330-L336 HydrophobicContact CD2-CD2 3.73Å; L330-L336 HydrophobicContact CG-CD2 4.29Å
331	A	92	Very high	93	Very high	47 Å²	47	71.7 Å²	71.7	39%	0.388	34%	0.342	S	S	.	.	H	α-helix	trans	-61	-33.7	179.3	0	0	0	0	0	112.2	Y327 F328 S333	Y327-A331 WeakPolarHBondContact O-CB 3.39Å; Y327-A331 PolarHBondContact O-N 3.05Å; F328-A331 PolarHBondContact O-N 2.66Å; A331-S333 VanDerWaalsContact C-N 3.34Å
332	S	91.2	Very high	92.6	Very high	57 Å²	57	74.8 Å²	74.8	40%	0.399	35%	0.349	S	S	.	.	H	α-helix	trans	-76.9	-19	178.9	-58.5	0	0	0	0	113.3	F328 L330 P334	F328-S332 VanDerWaalsContact O-CB 3.3Å; F328-S332 WeakPolarHBondContact O-CB 3.49Å; F328-S332 PolarHBondContact O-N 3.1Å; F328-S332 PolarHBondContact O-OG 3.37Å; L330-S332 PolarHBondContact O-N 3.23Å; S332-P334 VanDerWaalsContact O-CD 3.22Å; S332-P334 WeakPolarHBondContact O-CD 3.47Å
333	S	92.1	Very high	92.2	Very high	7 Å²	7	72.4 Å²	72.4	5%	0.049	34%	0.337	C	S	.	.			trans	-68.4	116.3	-176.1	176.6	0	0	0	0	112.4	D329 L330 A331 G335 L336 R337	D329-S333 PolarHBondContact O-N 2.63Å; L330-S333 WeakPolarHBondContact O-CB 3.31Å; L330-S333 PolarHBondContact O-N 3Å; L330-S333 VanDerWaalsContact O-N 3.11Å; A331-S333 VanDerWaalsContact C-N 3.34Å; S333-G335 VanDerWaalsContact C-N 3.34Å; S333-G335 PolarHBondContact O-N 3.06Å; S333-L336 PolarHBondContact OG-N 3.39Å; S333-R337 WeakPolarHBondContact O-CG 3.39Å; S333-R337 PolarHBondContact O-N 2.76Å; S333-R337 PolarHBondContact O-NE 2.92Å
334	P	92.4	Very high	91.6	Very high	64 Å²	64	74.1 Å²	74.1	42%	0.416	35%	0.345	S	S	.	.	H	α-helix	trans	-63.9	-39.5	175.4	-20.6	33.6	0	0	0	112.4	S332 R337 K338	S332-P334 VanDerWaalsContact O-CD 3.22Å; S332-P334 WeakPolarHBondContact O-CD 3.47Å; P334-R337 PolarHBondContact O-N 3.14Å; P334-K338 WeakPolarHBondContact O-CG 3.43Å; P334-K338 PolarHBondContact O-N 2.97Å; P334-K338 VanDerWaalsContact O-N 3.13Å
335	G	92	Very high	91.1	Very high	1 Å²	1	77.4 Å²	77.4	1%	0.01	35%	0.354	C	S	.	.	H	α-helix	trans	-62	-45.2	178.7	0	0	0	0	0	112.1	S333 R337 K338 L339 D389 G392	S333-G335 VanDerWaalsContact C-N 3.34Å; S333-G335 PolarHBondContact O-N 3.06Å; G335-R337 PolarHBondContact O-N 2.89Å; G335-K338 PolarHBondContact O-N 3.43Å; G335-L339 PolarHBondContact O-N 3.4Å; G335-D389 VanDerWaalsContact CA-O 3.24Å; G335-D389 WeakPolarHBondContact CA-O 3.4Å; G335-G392 VanDerWaalsContact O-CA 3.24Å; G335-G392 WeakPolarHBondContact O-CA 3.34Å
336	L	91.3	Very high	90.5	Very high	4 Å²	4	72.3 Å²	72.3	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-65.2	-40.4	177.7	-178.8	56.1	0	0	0	112.2	V258 L310 L330 S333 K338 L339 I340 I388	V258-L336 HydrophobicContact CG1-CD1 3.95Å; V258-L336 HydrophobicContact CG1-CD2 4.22Å; V258-L336 HydrophobicContact CG2-CB 4.42Å; V258-L336 HydrophobicContact CG2-CD1 4.19Å; V258-L336 HydrophobicContact CG2-CD2 4.19Å; L310-L336 HydrophobicContact CD1-CD2 4.43Å; L310-L336 HydrophobicContact CD2-CD2 4.42Å; L330-L336 HydrophobicContact CB-CD2 3.77Å; L330-L336 HydrophobicContact CD2-CD2 3.73Å; L330-L336 HydrophobicContact CG-CD2 4.29Å; S333-L336 PolarHBondContact OG-N 3.39Å; L336-K338 VanDerWaalsContact C-N 3.32Å; L336-K338 PolarHBondContact O-N 2.87Å; L336-L339 HydrophobicContact CD1-CD2 4.12Å; L336-L339 WeakPolarHBondContact O-CB 3.24Å; L336-L339 PolarHBondContact O-N 3Å; L336-I340 HydrophobicContact CD1-CD1 3.9Å; L336-I340 HydrophobicContact CD1-CG1 3.89Å; L336-I340 HydrophobicContact CD2-CD1 4.37Å; L336-I340 HydrophobicContact CG-CD1 3.76Å; L336-I340 HydrophobicContact CG-CG1 4.22Å; L336-I340 WeakPolarHBondContact O-CB 3.23Å; L336-I340 WeakPolarHBondContact O-CG1 3.42Å; L336-I340 PolarHBondContact O-N 3.22Å; L336-I388 HydrophobicContact CD1-CD1 4.28Å
337	R	92.7	Very high	89.9	Confident	146 Å²	146	73.6 Å²	73.6	55%	0.551	35%	0.345	S	S	*	.	H	α-helix	trans	-59.6	-43.3	176	-74.6	-178.4	-73.8	165.7	-7.2	111.9	S333 P334 G335 I340 F341	S333-R337 WeakPolarHBondContact O-CG 3.39Å; S333-R337 PolarHBondContact O-N 2.76Å; S333-R337 PolarHBondContact O-NE 2.92Å; P334-R337 PolarHBondContact O-N 3.14Å; G335-R337 PolarHBondContact O-N 2.89Å; R337-I340 PolarHBondContact O-N 3.03Å; R337-F341 WeakPolarHBondContact O-CB 3.39Å; R337-F341 PolarHBondContact O-N 3.25Å
338	K	92.2	Very high	89.5	Confident	104 Å²	104	72.4 Å²	72.4	45%	0.452	35%	0.346	S	S	.	.	H	α-helix	trans	-63.6	-42.9	175.3	-69.6	173.9	-175.7	171.1	0	111.8	P334 G335 L336 F341 R342 S390 D391	P334-K338 WeakPolarHBondContact O-CG 3.43Å; P334-K338 PolarHBondContact O-N 2.97Å; P334-K338 VanDerWaalsContact O-N 3.13Å; G335-K338 PolarHBondContact O-N 3.43Å; L336-K338 VanDerWaalsContact C-N 3.32Å; L336-K338 PolarHBondContact O-N 2.87Å; K338-F341 PolarHBondContact O-N 3.04Å; K338-R342 WeakPolarHBondContact O-CB 3.47Å; K338-R342 PolarHBondContact O-N 3.47Å; K338-S390 PolarHBondContact NZ-O 3.34Å; K338-D391 VanDerWaalsContact CD-O 3.26Å; K338-D391 WeakPolarHBondContact CD-O 3.35Å
339	L	90.5	Very high	89	Confident	9 Å²	9	70 Å²	70	5%	0.047	34%	0.338	C	S	.	.	H	α-helix	trans	-61	-50.5	175.7	-171.7	87.5	0	0	0	111.4	F260 G335 L336 F341 R342 Y343 I388 G392 L394	F260-L339 HydrophobicContact CZ-CD2 4.06Å; G335-L339 PolarHBondContact O-N 3.4Å; L336-L339 HydrophobicContact CD1-CD2 4.12Å; L336-L339 WeakPolarHBondContact O-CB 3.24Å; L336-L339 PolarHBondContact O-N 3Å; L339-F341 VanDerWaalsContact C-N 3.32Å; L339-F341 PolarHBondContact O-N 3.49Å; L339-R342 WeakPolarHBondContact O-CB 2.8Å; L339-R342 PolarHBondContact O-N 3.37Å; L339-R342 VanDerWaalsContact O-N 3.15Å; L339-Y343 HydrophobicContact CD1-CD2 3.81Å; L339-Y343 HydrophobicContact CD1-CE2 3.64Å; L339-Y343 HydrophobicContact CG-CD2 3.92Å; L339-Y343 HydrophobicContact CG-CE2 4.27Å; L339-Y343 VanDerWaalsContact O-CD2 3.27Å; L339-Y343 WeakPolarHBondContact O-CD2 3.4Å; L339-Y343 PolarHBondContact O-N 3.01Å; L339-I388 HydrophobicContact CD2-CD1 3.49Å; L339-I388 VanDerWaalsContact CD2-CD1 3.49Å; L339-I388 HydrophobicContact CG-CD1 4.38Å; L339-G392 WeakPolarHBondContact CD1-O 3.36Å; L339-L394 HydrophobicContact CD1-CD1 4.47Å; L339-L394 HydrophobicContact CD1-CD2 3.73Å; L339-L394 HydrophobicContact CD1-CG 3.95Å; L339-L394 HydrophobicContact CD2-CD2 4.3Å
340	I	89.6	Confident	88.7	Confident	71 Å²	71	68.1 Å²	68.1	36%	0.364	33%	0.328	S	S	.	.	H	α-helix	trans	-59.1	-45.6	179.1	-71.2	170.3	0	0	0	110	L310 L336 R337 R342 Y343 L344	L310-I340 HydrophobicContact CD2-CD1 4.17Å; L336-I340 HydrophobicContact CD1-CD1 3.9Å; L336-I340 HydrophobicContact CD1-CG1 3.89Å; L336-I340 HydrophobicContact CD2-CD1 4.37Å; L336-I340 HydrophobicContact CG-CD1 3.76Å; L336-I340 HydrophobicContact CG-CG1 4.22Å; L336-I340 WeakPolarHBondContact O-CB 3.23Å; L336-I340 WeakPolarHBondContact O-CG1 3.42Å; L336-I340 PolarHBondContact O-N 3.22Å; R337-I340 PolarHBondContact O-N 3.03Å; I340-R342 VanDerWaalsContact C-N 3.29Å; I340-R342 PolarHBondContact O-N 3.24Å; I340-Y343 CarbonylContact O-C 3.55Å; I340-Y343 PolarHBondContact O-N 3.44Å; I340-L344 HydrophobicContact CG2-CD1 4.11Å; I340-L344 WeakPolarHBondContact O-CA 3.48Å; I340-L344 VanDerWaalsContact O-CB 3.32Å; I340-L344 WeakPolarHBondContact O-CB 3.33Å; I340-L344 PolarHBondContact O-N 3.25Å
341	F	89.2	Confident	88.3	Confident	182 Å²	182	72 Å²	72	80%	0.798	35%	0.348	S	S	*	.	H	α-helix	trans	-58.7	-41.6	177.5	-177	-98.7	0	0	0	112.1	R337 K338 L339	R337-F341 WeakPolarHBondContact O-CB 3.39Å; R337-F341 PolarHBondContact O-N 3.25Å; K338-F341 PolarHBondContact O-N 3.04Å; L339-F341 VanDerWaalsContact C-N 3.32Å; L339-F341 PolarHBondContact O-N 3.49Å
342	R	87.2	Confident	87.8	Confident	139 Å²	139	72.2 Å²	72.2	53%	0.525	34%	0.342	S	S	.	.	H	α-helix	trans	-66.5	-36.8	177.8	-170.9	-179.7	-65.1	167	2.7	112.9	K338 L339 I340	K338-R342 WeakPolarHBondContact O-CB 3.47Å; K338-R342 PolarHBondContact O-N 3.47Å; L339-R342 WeakPolarHBondContact O-CB 2.8Å; L339-R342 PolarHBondContact O-N 3.37Å; L339-R342 VanDerWaalsContact O-N 3.15Å; I340-R342 VanDerWaalsContact C-N 3.29Å; I340-R342 PolarHBondContact O-N 3.24Å
343	Y	85.8	Confident	87.4	Confident	60 Å²	60	70 Å²	70	24%	0.235	33%	0.326	C	S	.	.	H	α-helix	trans	-116.2	19.5	-172.1	-57.8	-70.6	0	0	0	114.2	R286 L339 I340 R345 F346 G347	R286-Y343 VanDerWaalsContact O-CE1 3.23Å; R286-Y343 WeakPolarHBondContact O-CE1 3.46Å; L339-Y343 HydrophobicContact CD1-CD2 3.81Å; L339-Y343 HydrophobicContact CD1-CE2 3.64Å; L339-Y343 HydrophobicContact CG-CD2 3.92Å; L339-Y343 HydrophobicContact CG-CE2 4.27Å; L339-Y343 VanDerWaalsContact O-CD2 3.27Å; L339-Y343 WeakPolarHBondContact O-CD2 3.4Å; L339-Y343 PolarHBondContact O-N 3.01Å; I340-Y343 CarbonylContact O-C 3.55Å; I340-Y343 PolarHBondContact O-N 3.44Å; Y343-R345 PolarHBondContact O-N 3.28Å; Y343-F346 WeakPolarHBondContact O-CA 2.84Å; Y343-F346 WeakPolarHBondContact O-CB 3.41Å; Y343-F346 PolarHBondContact O-N 3.29Å; Y343-G347 PolarHBondContact O-N 3.06Å
344	L	85.6	Confident	86.8	Confident	94 Å²	94	70 Å²	70	49%	0.492	33%	0.327	S	S	.	.	H	α-helix	trans	-54.4	-48.9	-171.8	-177.2	62.8	0	0	0	112.7	I340 F346 G347 I348	I340-L344 HydrophobicContact CG2-CD1 4.11Å; I340-L344 WeakPolarHBondContact O-CA 3.48Å; I340-L344 VanDerWaalsContact O-CB 3.32Å; I340-L344 WeakPolarHBondContact O-CB 3.33Å; I340-L344 PolarHBondContact O-N 3.25Å; L344-F346 VanDerWaalsContact C-N 3.28Å; L344-F346 PolarHBondContact O-N 3.44Å; L344-G347 PolarHBondContact O-N 3.16Å; L344-I348 HydrophobicContact CD1-CD1 4.28Å; L344-I348 HydrophobicContact CG-CD1 4.13Å; L344-I348 WeakPolarHBondContact O-CG1 3.44Å; L344-I348 PolarHBondContact O-N 3.25Å
345	R	84.5	Confident	86.4	Confident	216 Å²	216	71.4 Å²	71.4	82%	0.815	33%	0.33	S	S	*	.	H	α-helix	trans	-61.1	-37.1	178.9	-70	-176.3	176.3	171.4	-0.7	112.3	Y343 N349	Y343-R345 PolarHBondContact O-N 3.28Å; R345-N349 PolarHBondContact O-N 3Å; R345-N349 PolarHBondContact O-ND2 2.84Å
346	F	82.5	Confident	86.3	Confident	26 Å²	26	77.1 Å²	77.1	11%	0.114	36%	0.355	C	S	.	.	H	α-helix	trans	-70.5	-46.5	177.4	179.4	-97.2	0	0	0	111.1	F287 F289 Y343 L344 I348 N349 E350	F287-F346 HydrophobicContact CB-CD2 4.14Å; F287-F346 HydrophobicContact CB-CE1 4.36Å; F287-F346 HydrophobicContact CB-CE2 3.8Å; F287-F346 HydrophobicContact CB-CZ 3.92Å; F287-F346 HydrophobicContact CD1-CB 3.69Å; F287-F346 HydrophobicContact CD1-CD1 4.1Å; F287-F346 AromaticContact CD1-CD2 3.09Å; F287-F346 HydrophobicContact CD1-CD2 3.09Å; F287-F346 AromaticContact CD1-CE2 3.67Å; F287-F346 HydrophobicContact CD1-CE2 3.67Å; F287-F346 AromaticContact CD1-CG 3.33Å; F287-F346 HydrophobicContact CD1-CG 3.33Å; F287-F346 HydrophobicContact CD1-CZ 4.38Å; F287-F346 AromaticContact CD2-CD2 3.69Å; F287-F346 HydrophobicContact CD2-CD2 3.69Å; F287-F346 AromaticContact CD2-CE2 3.56Å; F287-F346 HydrophobicContact CD2-CE2 3.56Å; F287-F346 HydrophobicContact CD2-CZ 4.49Å; F287-F346 HydrophobicContact CE1-CB 3.58Å; F287-F346 AromaticContact CE1-CD2 3.26Å; F287-F346 HydrophobicContact CE1-CD2 3.26Å; F287-F346 HydrophobicContact CE1-CE2 4.15Å; F287-F346 AromaticContact CE1-CG 3.63Å; F287-F346 HydrophobicContact CE1-CG 3.63Å; F287-F346 AromaticContact CE2-CD2 3.83Å; F287-F346 HydrophobicContact CE2-CD2 3.83Å; F287-F346 HydrophobicContact CE2-CE2 4.05Å; F287-F346 AromaticContact CG-CD2 3.35Å; F287-F346 HydrophobicContact CG-CD2 3.35Å; F287-F346 AromaticContact CG-CE2 3.36Å; F287-F346 HydrophobicContact CG-CE2 3.36Å; F287-F346 AromaticContact CG-CG 3.94Å; F287-F346 HydrophobicContact CG-CG 3.94Å; F287-F346 HydrophobicContact CG-CZ 4.01Å; F287-F346 AromaticContact CZ-CD2 3.63Å; F287-F346 HydrophobicContact CZ-CD2 3.63Å; F287-F346 HydrophobicContact CZ-CE2 4.32Å; F287-F346 HydrophobicContact CZ-CG 4.41Å; F289-F346 HydrophobicContact CD2-CE1 4Å; Y343-F346 WeakPolarHBondContact O-CA 2.84Å; Y343-F346 WeakPolarHBondContact O-CB 3.41Å; Y343-F346 PolarHBondContact O-N 3.29Å; L344-F346 VanDerWaalsContact C-N 3.28Å; L344-F346 PolarHBondContact O-N 3.44Å; F346-I348 VanDerWaalsContact C-N 3.33Å; F346-I348 PolarHBondContact O-N 3.41Å; F346-N349 WeakPolarHBondContact O-CB 3.47Å; F346-N349 PolarHBondContact O-N 3.12Å; F346-E350 HydrophobicContact CD1-CG 4.1Å; F346-E350 HydrophobicContact CE1-CG 3.53Å; F346-E350 HydrophobicContact CE2-CG 4.24Å; F346-E350 HydrophobicContact CZ-CG 3.62Å; F346-E350 PolarHBondContact O-N 2.89Å
347	G	84	Confident	86.3	Confident	30 Å²	30	78.9 Å²	78.9	31%	0.309	36%	0.364	S	S	.	.	H	α-helix	trans	-57.7	-42.9	177.5	0	0	0	0	0	112.8	Y343 L344 N349 E350 I351	Y343-G347 PolarHBondContact O-N 3.06Å; L344-G347 PolarHBondContact O-N 3.16Å; G347-N349 VanDerWaalsContact C-N 3.33Å; G347-N349 PolarHBondContact O-N 3.08Å; G347-E350 PolarHBondContact O-N 2.67Å; G347-I351 WeakPolarHBondContact O-CG1 3.46Å; G347-I351 PolarHBondContact O-N 3.43Å
348	I	85.1	Confident	86.3	Confident	87 Å²	87	77.4 Å²	77.4	45%	0.446	36%	0.363	S	S	.	.	H	α-helix	trans	-60.3	-44	174.6	-68.3	168.5	0	0	0	111	L344 F346 E350 I351 I352	L344-I348 HydrophobicContact CD1-CD1 4.28Å; L344-I348 HydrophobicContact CG-CD1 4.13Å; L344-I348 WeakPolarHBondContact O-CG1 3.44Å; L344-I348 PolarHBondContact O-N 3.25Å; F346-I348 VanDerWaalsContact C-N 3.33Å; F346-I348 PolarHBondContact O-N 3.41Å; I348-E350 PolarHBondContact O-N 3.35Å; I348-I351 PolarHBondContact O-N 2.84Å; I348-I352 HydrophobicContact CG2-CD1 3.87Å; I348-I352 VanDerWaalsContact O-CG1 3.3Å; I348-I352 WeakPolarHBondContact O-CG1 3.35Å; I348-I352 PolarHBondContact O-N 3.25Å; I348-I352 VanDerWaalsContact O-N 3.07Å
349	N	84.6	Confident	86.3	Confident	72 Å²	72	76.5 Å²	76.5	39%	0.385	36%	0.357	S	S	.	.	H	α-helix	trans	-64.2	-39.4	178.6	-82.2	-51	0	0	0	112.9	R345 F346 G347 I352 D353 R359	R345-N349 PolarHBondContact O-N 3Å; R345-N349 PolarHBondContact O-ND2 2.84Å; F346-N349 WeakPolarHBondContact O-CB 3.47Å; F346-N349 PolarHBondContact O-N 3.12Å; G347-N349 VanDerWaalsContact C-N 3.33Å; G347-N349 PolarHBondContact O-N 3.08Å; N349-I352 PolarHBondContact O-N 2.89Å; N349-D353 WeakPolarHBondContact O-CB 3.29Å; N349-D353 VanDerWaalsContact O-CG 3.32Å; N349-D353 PolarHBondContact O-N 2.91Å; N349-R359 PolarHBondContact OD1-NH2 2.7Å
350	E	84.9	Confident	86.3	Confident	8 Å²	8	76.4 Å²	76.4	4%	0.037	36%	0.356	C	S	.	.	H	α-helix	trans	-66.3	-37.2	176.5	-74.3	-68.1	136.2	0	0	112.3	N307 A308 F346 G347 I348 D353 G354 R363	N307-E350 WeakPolarHBondContact CA-OE2 3.32Å; N307-E350 WeakPolarHBondContact CB-OE2 3.42Å; A308-E350 PolarHBondContact N-OE2 2.87Å; A308-E350 WeakPolarHBondContact O-CB 3.35Å; F346-E350 HydrophobicContact CD1-CG 4.1Å; F346-E350 HydrophobicContact CE1-CG 3.53Å; F346-E350 HydrophobicContact CE2-CG 4.24Å; F346-E350 HydrophobicContact CZ-CG 3.62Å; F346-E350 PolarHBondContact O-N 2.89Å; G347-E350 PolarHBondContact O-N 2.67Å; I348-E350 PolarHBondContact O-N 3.35Å; E350-D353 PolarHBondContact O-N 2.83Å; E350-G354 PolarHBondContact O-N 3.49Å; E350-R363 IonicContact OE1-CZ 3.45Å; E350-R363 IonicContact OE1-NH1 2.7Å; E350-R363 PolarHBondContact OE1-NH1 2.97Å; E350-R363 IonicContact OE1-NH2 3.39Å
351	I	84.1	Confident	86.6	Confident	88 Å²	88	73.1 Å²	73.1	45%	0.451	34%	0.339	S	S	.	.	H	α-helix	trans	-60.9	-48.4	172.6	-69	166.4	0	0	0	110.2	I309 G347 I348 D353 G354 L355	I309-I351 HydrophobicContact CG2-CG1 4.19Å; G347-I351 WeakPolarHBondContact O-CG1 3.46Å; G347-I351 PolarHBondContact O-N 3.43Å; I348-I351 PolarHBondContact O-N 2.84Å; I351-D353 VanDerWaalsContact C-N 3.35Å; I351-D353 PolarHBondContact O-N 2.84Å; I351-G354 PolarHBondContact O-N 2.78Å; I351-L355 HydrophobicContact CG2-CD1 4.37Å; I351-L355 WeakPolarHBondContact O-CG 3.36Å; I351-L355 PolarHBondContact O-N 3.2Å; I351-L355 VanDerWaalsContact O-N 3.14Å
352	I	83.3	Confident	86.9	Confident	52 Å²	52	71.3 Å²	71.3	27%	0.267	33%	0.331	S	S	.	.	H	α-helix	trans	-63.6	-42.7	178.8	-60.1	165.8	0	0	0	110.4	I348 N349 G354 L355 F356	I348-I352 HydrophobicContact CG2-CD1 3.87Å; I348-I352 VanDerWaalsContact O-CG1 3.3Å; I348-I352 WeakPolarHBondContact O-CG1 3.35Å; I348-I352 PolarHBondContact O-N 3.25Å; I348-I352 VanDerWaalsContact O-N 3.07Å; N349-I352 PolarHBondContact O-N 2.89Å; I352-G354 VanDerWaalsContact C-N 3.31Å; I352-G354 PolarHBondContact O-N 3.43Å; I352-L355 PolarHBondContact O-N 3.33Å; I352-F356 HydrophobicContact CG2-CD2 3.63Å; I352-F356 HydrophobicContact CG2-CE2 3.9Å; I352-F356 VanDerWaalsContact O-CD2 3.29Å; I352-F356 WeakPolarHBondContact O-CD2 3.17Å; I352-F356 PolarHBondContact O-N 3Å
353	D	82.1	Confident	87.2	Confident	11 Å²	11	67.9 Å²	67.9	6%	0.059	32%	0.318	C	S	.	.	H	α-helix	trans	-60.7	-37.7	176.6	-79	1.8	0	0	0	112.3	N349 E350 I351 R359 R363	N349-D353 WeakPolarHBondContact O-CB 3.29Å; N349-D353 VanDerWaalsContact O-CG 3.32Å; N349-D353 PolarHBondContact O-N 2.91Å; E350-D353 PolarHBondContact O-N 2.83Å; I351-D353 VanDerWaalsContact C-N 3.35Å; I351-D353 PolarHBondContact O-N 2.84Å; D353-R359 WeakPolarHBondContact OD1-CB 3.48Å; D353-R359 IonicContact OD1-CZ 3.06Å; D353-R359 IonicContact OD1-NE 2.66Å; D353-R359 PolarHBondContact OD1-NE 3.49Å; D353-R359 IonicContact OD1-NH2 2.78Å; D353-R359 PolarHBondContact OD1-NH2 2.97Å; D353-R363 WeakPolarHBondContact OD2-CD 3.18Å; D353-R363 IonicContact OD2-CZ 3.54Å; D353-R363 IonicContact OD2-NE 2.75Å; D353-R363 IonicContact OD2-NH1 3.49Å; D353-R363 PolarHBondContact OD2-NH1 2.96Å
354	G	79	Confident	87.6	Confident	6 Å²	6	65 Å²	65	6%	0.062	31%	0.307	C	S	.	.	H	α-helix	trans	-69.4	-31.7	176.4	0	0	0	0	0	114.5	N307 E350 I351 I352 R378	N307-G354 WeakPolarHBondContact ND2-CA 3.38Å; E350-G354 PolarHBondContact O-N 3.49Å; I351-G354 PolarHBondContact O-N 2.78Å; I352-G354 VanDerWaalsContact C-N 3.31Å; I352-G354 PolarHBondContact O-N 3.43Å; G354-R378 PolarHBondContact O-NH1 2.75Å; G354-R378 VanDerWaalsContact O-NH1 3.08Å
355	L	84.1	Confident	88.2	Confident	94 Å²	94	64.1 Å²	64.1	49%	0.492	30%	0.299	S	S	.	.	H	α-helix	trans	-73.1	-44.4	175.8	-69.2	173.7	0	0	0	111.1	I351 I352 R378	I351-L355 HydrophobicContact CG2-CD1 4.37Å; I351-L355 WeakPolarHBondContact O-CG 3.36Å; I351-L355 PolarHBondContact O-N 3.2Å; I351-L355 VanDerWaalsContact O-N 3.14Å; I352-L355 PolarHBondContact O-N 3.33Å; L355-R378 PolarHBondContact O-NH2 2.98Å
356	F	89	Confident	88.8	Confident	120 Å²	120	59.6 Å²	59.6	53%	0.526	29%	0.285	S	S	.	.			trans	-103.9	99.8	-173.8	-61	-73.4	0	0	0	112.8	I352 H358 R359	I352-F356 HydrophobicContact CG2-CD2 3.63Å; I352-F356 HydrophobicContact CG2-CE2 3.9Å; I352-F356 VanDerWaalsContact O-CD2 3.29Å; I352-F356 WeakPolarHBondContact O-CD2 3.17Å; I352-F356 PolarHBondContact O-N 3Å; F356-H358 PolarHBondContact O-N 2.92Å; F356-R359 HydrophobicContact CB-CG 4.2Å; F356-R359 PolarHBondContact O-N 3.31Å
357	I	91.3	Very high	89.5	Confident	41 Å²	41	59 Å²	59	21%	0.21	28%	0.283	C	S	.	.	H	α-helix	trans	-46.9	-40.9	175.5	-60.3	-176.8	0	0	0	111.8	L265 R359 Q360 V361 V373 V376 R378	L265-I357 HydrophobicContact CD1-CG2 3.82Å; L265-I357 HydrophobicContact CD2-CD1 4.17Å; L265-I357 HydrophobicContact CD2-CG1 4.05Å; L265-I357 HydrophobicContact CD2-CG2 4.09Å; I357-R359 VanDerWaalsContact C-N 3.28Å; I357-R359 PolarHBondContact O-N 2.94Å; I357-Q360 PolarHBondContact O-N 3.02Å; I357-V361 HydrophobicContact CG2-CG2 4.05Å; I357-V361 WeakPolarHBondContact O-CG2 3.32Å; I357-V361 PolarHBondContact O-N 2.81Å; I357-V373 HydrophobicContact CG2-CG1 4.16Å; I357-V376 HydrophobicContact CG2-CG2 3.76Å; I357-R378 HydrophobicContact CD1-CG 3.82Å
358	H	93.4	Very high	90.2	Very high	116 Å²	116	57.7 Å²	57.7	54%	0.537	27%	0.268	S	S	.	.	H	α-helix	trans	-54.9	-39.9	178.6	176.6	76.2	0	0	0	113.5	F356 K362 V373	F356-H358 PolarHBondContact O-N 2.92Å; H358-K362 WeakPolarHBondContact O-CB 3.42Å; H358-K362 PolarHBondContact O-N 2.91Å; H358-V373 HydrophobicContact CB-CG2 4.28Å
359	R	91.6	Very high	90.8	Very high	84 Å²	84	56.5 Å²	56.5	32%	0.317	27%	0.266	S	S	.	.	H	α-helix	trans	-69.3	-41.4	-180	-71.5	-177.5	56.7	155.3	-7.2	111.4	N349 D353 F356 I357 K362 R363	N349-R359 PolarHBondContact OD1-NH2 2.7Å; D353-R359 WeakPolarHBondContact OD1-CB 3.48Å; D353-R359 IonicContact OD1-CZ 3.06Å; D353-R359 IonicContact OD1-NE 2.66Å; D353-R359 PolarHBondContact OD1-NE 3.49Å; D353-R359 IonicContact OD1-NH2 2.78Å; D353-R359 PolarHBondContact OD1-NH2 2.97Å; F356-R359 HydrophobicContact CB-CG 4.2Å; F356-R359 PolarHBondContact O-N 3.31Å; I357-R359 VanDerWaalsContact C-N 3.28Å; I357-R359 PolarHBondContact O-N 2.94Å; R359-K362 WeakPolarHBondContact O-CB 3.19Å; R359-K362 PolarHBondContact O-N 3.44Å; R359-R363 PolarHBondContact O-N 3.42Å
360	Q	92.1	Very high	91.3	Very high	8 Å²	8	55.9 Å²	55.9	4%	0.037	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-46.3	176.3	-159.6	178.3	80.7	0	0	111.5	L265 V292 I357 K362 R363 L364	L265-Q360 HydrophobicContact CD1-CB 4.25Å; L265-Q360 HydrophobicContact CD1-CG 4.41Å; V292-Q360 HydrophobicContact CG1-CG 3.85Å; I357-Q360 PolarHBondContact O-N 3.02Å; Q360-K362 VanDerWaalsContact C-N 3.31Å; Q360-K362 PolarHBondContact O-N 3.06Å; Q360-R363 WeakPolarHBondContact O-CB 3.29Å; Q360-R363 PolarHBondContact O-N 3.26Å; Q360-R363 VanDerWaalsContact O-N 3.14Å; Q360-L364 HydrophobicContact CG-CD1 4.26Å; Q360-L364 WeakPolarHBondContact O-CG 3Å; Q360-L364 PolarHBondContact O-N 2.97Å; Q360-L364 VanDerWaalsContact O-N 3.11Å
361	V	95.4	Very high	91.9	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-59.7	-41.3	174.9	172.2	0	0	0	0	111.2	L265 I357 R363 L364 K365 L371 V373 V376	L265-V361 HydrophobicContact CD1-CG2 4.17Å; I357-V361 HydrophobicContact CG2-CG2 4.05Å; I357-V361 WeakPolarHBondContact O-CG2 3.32Å; I357-V361 PolarHBondContact O-N 2.81Å; V361-R363 VanDerWaalsContact C-N 3.29Å; V361-R363 PolarHBondContact O-N 3.29Å; V361-L364 PolarHBondContact O-N 3.13Å; V361-L364 VanDerWaalsContact O-N 3.15Å; V361-K365 HydrophobicContact CG1-CD 4.32Å; V361-K365 HydrophobicContact CG1-CG 4.21Å; V361-K365 WeakPolarHBondContact O-CG 3.37Å; V361-K365 PolarHBondContact O-N 2.97Å; V361-L371 HydrophobicContact CG1-CD2 4.15Å; V361-L371 HydrophobicContact CG1-CG 4.17Å; V361-V373 HydrophobicContact CB-CG2 4.1Å; V361-V373 HydrophobicContact CG1-CG2 4.01Å; V361-V373 HydrophobicContact CG2-CG2 4.31Å; V361-V376 HydrophobicContact CG2-CG2 3.66Å
362	K	94.6	Very high	92.5	Very high	143 Å²	143	54.4 Å²	54.4	62%	0.622	26%	0.261	S	S	*	.	H	α-helix	trans	-58.8	-37.8	176.5	-175.9	178.7	179.8	178.8	0	112.6	H358 R359 Q360	H358-K362 WeakPolarHBondContact O-CB 3.42Å; H358-K362 PolarHBondContact O-N 2.91Å; R359-K362 WeakPolarHBondContact O-CB 3.19Å; R359-K362 PolarHBondContact O-N 3.44Å; Q360-K362 VanDerWaalsContact C-N 3.31Å; Q360-K362 PolarHBondContact O-N 3.06Å
363	R	93.3	Very high	93.1	Very high	68 Å²	68	54.9 Å²	54.9	26%	0.257	27%	0.266	S	S	.	.	H	α-helix	trans	-67.4	-43.7	175	-68.3	171.8	66.7	177.7	-0.6	111.3	V292 E350 D353 R359 Q360 V361 K366	V292-R363 HydrophobicContact CG2-CB 3.82Å; E350-R363 IonicContact OE1-CZ 3.45Å; E350-R363 IonicContact OE1-NH1 2.7Å; E350-R363 PolarHBondContact OE1-NH1 2.97Å; E350-R363 IonicContact OE1-NH2 3.39Å; D353-R363 WeakPolarHBondContact OD2-CD 3.18Å; D353-R363 IonicContact OD2-CZ 3.54Å; D353-R363 IonicContact OD2-NE 2.75Å; D353-R363 IonicContact OD2-NH1 3.49Å; D353-R363 PolarHBondContact OD2-NH1 2.96Å; R359-R363 PolarHBondContact O-N 3.42Å; Q360-R363 WeakPolarHBondContact O-CB 3.29Å; Q360-R363 PolarHBondContact O-N 3.26Å; Q360-R363 VanDerWaalsContact O-N 3.14Å; V361-R363 VanDerWaalsContact C-N 3.29Å; V361-R363 PolarHBondContact O-N 3.29Å; R363-K366 WeakPolarHBondContact O-CB 3.45Å; R363-K366 WeakPolarHBondContact O-CG 3.47Å; R363-K366 PolarHBondContact O-N 3.49Å
364	L	95.9	Very high	93.8	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67.4	-33.2	-179.9	-70.4	160.1	0	0	0	112.9	V292 F294 L304 Q360 V361 K366 Y367 V368 L371	V292-L364 HydrophobicContact CB-CD2 4.03Å; V292-L364 HydrophobicContact CB-CG 4.32Å; V292-L364 HydrophobicContact CG2-CD2 3.82Å; V292-L364 HydrophobicContact CG2-CG 3.84Å; F294-L364 HydrophobicContact CD2-CD2 3.91Å; F294-L364 HydrophobicContact CE1-CB 4.49Å; F294-L364 HydrophobicContact CE1-CD2 4.31Å; F294-L364 HydrophobicContact CE2-CB 4.08Å; F294-L364 HydrophobicContact CE2-CD2 3.49Å; F294-L364 VanDerWaalsContact CE2-CD2 3.49Å; F294-L364 HydrophobicContact CE2-CG 4.4Å; F294-L364 HydrophobicContact CG-CD2 4.49Å; F294-L364 HydrophobicContact CZ-CB 3.69Å; F294-L364 HydrophobicContact CZ-CD2 3.75Å; F294-L364 HydrophobicContact CZ-CG 4.26Å; L304-L364 HydrophobicContact CB-CD1 3.6Å; L304-L364 HydrophobicContact CB-CD2 4.38Å; L304-L364 HydrophobicContact CD2-CD1 3.79Å; L304-L364 HydrophobicContact CG-CD1 4.37Å; Q360-L364 HydrophobicContact CG-CD1 4.26Å; Q360-L364 WeakPolarHBondContact O-CG 3Å; Q360-L364 PolarHBondContact O-N 2.97Å; Q360-L364 VanDerWaalsContact O-N 3.11Å; V361-L364 PolarHBondContact O-N 3.13Å; V361-L364 VanDerWaalsContact O-N 3.15Å; L364-K366 PolarHBondContact O-N 3.48Å; L364-K366 VanDerWaalsContact O-N 3.1Å; L364-Y367 PolarHBondContact O-N 2.77Å; L364-V368 PolarHBondContact O-N 2.85Å; L364-V368 VanDerWaalsContact O-N 3.17Å; L364-L371 HydrophobicContact CB-CD2 3.68Å; L364-L371 HydrophobicContact CD1-CD2 4.4Å
365	K	96.8	Very high	94.7	Very high	74 Å²	74	62 Å²	62	32%	0.322	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.3	176.3	-80.1	-176	77.1	98	0	114.4	V361 Y367 V368 P369 L371	V361-K365 HydrophobicContact CG1-CD 4.32Å; V361-K365 HydrophobicContact CG1-CG 4.21Å; V361-K365 WeakPolarHBondContact O-CG 3.37Å; V361-K365 PolarHBondContact O-N 2.97Å; K365-Y367 PolarHBondContact O-N 3.42Å; K365-V368 WeakPolarHBondContact CA-O 3.43Å; K365-V368 CarbonylContact O-C 3.48Å; K365-P369 WeakPolarHBondContact CE-O 3.48Å; K365-P369 PolarHBondContact NZ-O 3.17Å; K365-P369 WeakPolarHBondContact O-CA 3.48Å; K365-L371 VanDerWaalsContact CD-O 3.27Å; K365-L371 WeakPolarHBondContact CD-O 3.33Å; K365-L371 WeakPolarHBondContact CE-O 3.28Å; K365-L371 HydrophobicContact CG-CB 4.2Å; K365-L371 VanDerWaalsContact CG-O 3.26Å; K365-L371 WeakPolarHBondContact CG-O 3.26Å; K365-L371 PolarHBondContact NZ-O 2.81Å
366	K	96.9	Very high	95.3	Very high	121 Å²	121	58 Å²	58	53%	0.526	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-31.7	173.3	-64.3	-174.3	176.6	-168	0	112.2	V119 R363 L364	V119-K366 HydrophobicContact CB-CB 4.47Å; V119-K366 HydrophobicContact CG1-CB 4.43Å; V119-K366 HydrophobicContact CG2-CB 4.15Å; V119-K366 HydrophobicContact CG2-CD 4.09Å; R363-K366 WeakPolarHBondContact O-CB 3.45Å; R363-K366 WeakPolarHBondContact O-CG 3.47Å; R363-K366 PolarHBondContact O-N 3.49Å; L364-K366 PolarHBondContact O-N 3.48Å; L364-K366 VanDerWaalsContact O-N 3.1Å
367	Y	98	Very high	95.7	Very high	15 Å²	15	55.4 Å²	55.4	6%	0.059	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-41	178.9	-52.2	-78.9	0	0	0	111.2	V117 V119 C157 V158 I279 P281 F294 L364 K365	V117-Y367 HydrophobicContact CB-CD1 3.88Å; V117-Y367 HydrophobicContact CB-CE1 3.99Å; V117-Y367 HydrophobicContact CG1-CD1 4.1Å; V117-Y367 HydrophobicContact CG1-CE1 4.38Å; V119-Y367 HydrophobicContact CG1-CD1 3.58Å; V119-Y367 HydrophobicContact CG1-CE1 3.52Å; V119-Y367 HydrophobicContact CG1-CG 4.43Å; V119-Y367 HydrophobicContact CG2-CE1 4.18Å; C157-Y367 CarbonylContact C-O 3.57Å; C157-Y367 VanDerWaalsContact CA-O 3.24Å; C157-Y367 WeakPolarHBondContact CA-O 3.36Å; V158-Y367 PolarHBondContact N-O 3.03Å; I279-Y367 HydrophobicContact CG2-CD1 4.35Å; I279-Y367 HydrophobicContact CG2-CG 4.29Å; P281-Y367 WeakPolarHBondContact CA-OH 3.39Å; P281-Y367 WeakPolarHBondContact CB-OH 3.29Å; F294-Y367 HydrophobicContact CE2-CD2 4.45Å; L364-Y367 PolarHBondContact O-N 2.77Å; K365-Y367 PolarHBondContact O-N 3.42Å
368	V	98	Very high	95.9	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.006	28%	0.275	C	S	.	.			trans	-124.9	87	-177.8	-175.9	0	0	0	0	109.7	N156 I275 I279 F294 L364 K365 S370 L371	N156-V368 HydrophobicContact CB-CG1 4.13Å; I275-V368 HydrophobicContact CD1-CG2 3.81Å; I279-V368 HydrophobicContact CD1-CG2 3.94Å; F294-V368 HydrophobicContact CE1-CB 4.37Å; F294-V368 HydrophobicContact CE1-CG2 4.1Å; F294-V368 HydrophobicContact CE2-CG2 3.91Å; F294-V368 HydrophobicContact CZ-CB 3.86Å; F294-V368 HydrophobicContact CZ-CG2 3.62Å; L364-V368 PolarHBondContact O-N 2.85Å; L364-V368 VanDerWaalsContact O-N 3.17Å; K365-V368 WeakPolarHBondContact CA-O 3.43Å; K365-V368 CarbonylContact O-C 3.48Å; V368-S370 PolarHBondContact O-N 2.79Å; V368-L371 HydrophobicContact CB-CB 4.47Å; V368-L371 HydrophobicContact CG1-CB 4.3Å; V368-L371 VanDerWaalsContact O-CB 3.24Å; V368-L371 WeakPolarHBondContact O-CB 3.46Å; V368-L371 PolarHBondContact O-N 2.8Å; V368-L371 VanDerWaalsContact O-N 3.1Å
369	P	97.5	Very high	95.9	Very high	63 Å²	63	53.8 Å²	53.8	41%	0.409	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-28.2	-171	-26.4	36.1	0	0	0	114.7	V158 K365 L371	V158-P369 HydrophobicContact CG1-CG 4.3Å; V158-P369 HydrophobicContact CG2-CG 3.63Å; K365-P369 WeakPolarHBondContact CE-O 3.48Å; K365-P369 PolarHBondContact NZ-O 3.17Å; K365-P369 WeakPolarHBondContact O-CA 3.48Å; P369-L371 PolarHBondContact O-N 2.94Å
370	S	96.5	Very high	96.1	Very high	58 Å²	58	52.7 Å²	52.7	41%	0.406	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-16.9	178.1	54.7	0	0	0	0	113.5	V368 N372	V368-S370 PolarHBondContact O-N 2.79Å; S370-N372 PolarHBondContact O-ND2 3Å
371	L	97.5	Very high	96.3	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	27%	0.272	C	S	.	.			trans	-63.9	134.1	-179.7	-177.2	69.3	0	0	0	112	L267 F294 L304 V361 L364 K365 V368 P369 D375 V376	L267-L371 HydrophobicContact CD2-CD1 3.51Å; F294-L371 HydrophobicContact CE1-CD2 4.02Å; F294-L371 HydrophobicContact CZ-CD2 4.05Å; L304-L371 HydrophobicContact CD2-CD1 4.23Å; L304-L371 HydrophobicContact CD2-CD2 3.88Å; V361-L371 HydrophobicContact CG1-CD2 4.15Å; V361-L371 HydrophobicContact CG1-CG 4.17Å; L364-L371 HydrophobicContact CB-CD2 3.68Å; L364-L371 HydrophobicContact CD1-CD2 4.4Å; K365-L371 VanDerWaalsContact CD-O 3.27Å; K365-L371 WeakPolarHBondContact CD-O 3.33Å; K365-L371 WeakPolarHBondContact CE-O 3.28Å; K365-L371 HydrophobicContact CG-CB 4.2Å; K365-L371 VanDerWaalsContact CG-O 3.26Å; K365-L371 WeakPolarHBondContact CG-O 3.26Å; K365-L371 PolarHBondContact NZ-O 2.81Å; V368-L371 HydrophobicContact CB-CB 4.47Å; V368-L371 HydrophobicContact CG1-CB 4.3Å; V368-L371 VanDerWaalsContact O-CB 3.24Å; V368-L371 WeakPolarHBondContact O-CB 3.46Å; V368-L371 PolarHBondContact O-N 2.8Å; V368-L371 VanDerWaalsContact O-N 3.1Å; P369-L371 PolarHBondContact O-N 2.94Å; L371-D375 HydrophobicContact CD1-CB 4.3Å; L371-V376 HydrophobicContact CD1-CG1 4.2Å
372	N	96.5	Very high	96.2	Very high	65 Å²	65	53.4 Å²	53.4	35%	0.348	28%	0.276	S	S	.	.			trans	-127.3	160.9	175.5	-51.8	-75	0	0	0	112.1	S370 K374 D375	S370-N372 PolarHBondContact O-ND2 3Å; N372-K374 HydrophobicContact CB-CG 4.08Å; N372-K374 PolarHBondContact O-N 3.49Å; N372-D375 WeakPolarHBondContact CA-OD2 3.26Å; N372-D375 WeakPolarHBondContact CB-OD2 3.16Å; N372-D375 PolarHBondContact N-OD2 3.03Å; N372-D375 PolarHBondContact ND2-OD2 3Å; N372-D375 VanDerWaalsContact ND2-OD2 3.11Å; N372-D375 VanDerWaalsContact O-CB 3.32Å; N372-D375 WeakPolarHBondContact O-CB 3.4Å; N372-D375 PolarHBondContact O-N 2.81Å
373	V	96.7	Very high	96.3	Very high	62 Å²	62	46.9 Å²	46.9	38%	0.376	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-61.2	-31.8	179.1	-179.9	0	0	0	0	112	I357 H358 V361 D375 V376	I357-V373 HydrophobicContact CG2-CG1 4.16Å; H358-V373 HydrophobicContact CB-CG2 4.28Å; V361-V373 HydrophobicContact CB-CG2 4.1Å; V361-V373 HydrophobicContact CG1-CG2 4.01Å; V361-V373 HydrophobicContact CG2-CG2 4.31Å; V373-D375 PolarHBondContact O-N 2.86Å; V373-V376 WeakPolarHBondContact O-CG2 3.34Å; V373-V376 PolarHBondContact O-N 3.27Å
374	K	96.8	Very high	96.3	Very high	151 Å²	151	47.2 Å²	47.2	66%	0.657	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-68.7	-16	177.4	70.5	179.8	-177	173.7	0	113.4	K268 N372 V376	K268-K374 WeakPolarHBondContact CD-O 3.41Å; K268-K374 WeakPolarHBondContact CE-O 3.43Å; K268-K374 PolarHBondContact NZ-O 2.64Å; N372-K374 HydrophobicContact CB-CG 4.08Å; N372-K374 PolarHBondContact O-N 3.49Å; K374-V376 VanDerWaalsContact C-N 3.34Å
375	D	97.1	Very high	96.2	Very high	14 Å²	14	47.5 Å²	47.5	8%	0.075	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-88.7	-6.8	-174.7	-54	-32.5	0	0	0	112	K268 N271 L371 N372 V373	K268-D375 WeakPolarHBondContact CG-O 3.5Å; K268-D375 PolarHBondContact N-O 3.36Å; N271-D375 VanDerWaalsContact ND2-CB 3.35Å; N271-D375 WeakPolarHBondContact ND2-CB 3.24Å; N271-D375 PolarHBondContact ND2-OD1 2.85Å; L371-D375 HydrophobicContact CD1-CB 4.3Å; N372-D375 WeakPolarHBondContact CA-OD2 3.26Å; N372-D375 WeakPolarHBondContact CB-OD2 3.16Å; N372-D375 PolarHBondContact N-OD2 3.03Å; N372-D375 PolarHBondContact ND2-OD2 3Å; N372-D375 VanDerWaalsContact ND2-OD2 3.11Å; N372-D375 VanDerWaalsContact O-CB 3.32Å; N372-D375 WeakPolarHBondContact O-CB 3.4Å; N372-D375 PolarHBondContact O-N 2.81Å; V373-D375 PolarHBondContact O-N 2.86Å
376	V	97.4	Very high	96	Very high	10 Å²	10	44 Å²	44	6%	0.061	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	151.2	-175.1	-66.2	0	0	0	0	112.3	L265 V266 L267 L304 I357 V361 L371 V373 K374	L265-V376 HydrophobicContact CB-CB 4.36Å; L265-V376 HydrophobicContact CD1-CB 4.41Å; L265-V376 HydrophobicContact CD1-CG2 4.19Å; V266-V376 CarbonylContact O-C 3.57Å; V266-V376 VanDerWaalsContact O-CA 3.32Å; V266-V376 WeakPolarHBondContact O-CA 3.44Å; L267-V376 HydrophobicContact CD2-CG1 3.9Å; L304-V376 HydrophobicContact CD1-CG1 3.89Å; L304-V376 HydrophobicContact CD2-CG1 3.86Å; I357-V376 HydrophobicContact CG2-CG2 3.76Å; V361-V376 HydrophobicContact CG2-CG2 3.66Å; L371-V376 HydrophobicContact CD1-CG1 4.2Å; V373-V376 WeakPolarHBondContact O-CG2 3.34Å; V373-V376 PolarHBondContact O-N 3.27Å; K374-V376 VanDerWaalsContact C-N 3.34Å
377	V	96.4	Very high	95.9	Very high	67 Å²	67	38.2 Å²	38.2	41%	0.406	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	164.9	168.4	-63.5	0	0	0	0	109.8	L265 V266 K268	L265-V377 CarbonylContact C-O 3.14Å; L265-V377 VanDerWaalsContact CA-O 3.26Å; L265-V377 WeakPolarHBondContact CA-O 3.47Å; V266-V377 HydrophobicContact CB-CG2 4.1Å; V266-V377 PolarHBondContact N-O 2.98Å; V266-V377 PolarHBondContact O-N 3.2Å; K268-V377 HydrophobicContact CG-CG1 4.13Å
378	R	94.8	Very high	95.7	Very high	92 Å²	92	37.6 Å²	37.6	35%	0.347	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	138.1	173.5	-68.4	-168.2	-178.7	-92.5	1.9	110	L265 R319 G354 L355 I357	L265-R378 HydrophobicContact CD2-CG 4.24Å; R319-R378 VanDerWaalsContact NH1-CZ 3.34Å; R319-R378 VanDerWaalsContact NH2-CD 3.28Å; G354-R378 PolarHBondContact O-NH1 2.75Å; G354-R378 VanDerWaalsContact O-NH1 3.08Å; L355-R378 PolarHBondContact O-NH2 2.98Å; I357-R378 HydrophobicContact CD1-CG 3.82Å
379	G	95	Very high	95.5	Very high	30 Å²	30	40.3 Å²	40.3	31%	0.309	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-165.9	-177.4	0	0	0	0	0	113.5	Y264	Y264-G379 WeakPolarHBondContact O-CA 3.21Å; Y264-G379 PolarHBondContact O-N 3.39Å
380	P	95.5	Very high	95.2	Very high	62 Å²	62	40.3 Å²	40.3	40%	0.403	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	172.6	174.2	32.7	-36.1	0	0	0	111.2	Y264 L303	Y264-P380 WeakPolarHBondContact CB-O 3.36Å; Y264-P380 PolarHBondContact N-O 3.49Å; L303-P380 HydrophobicContact CD2-CG 4.35Å
381	S	95.1	Very high	95	Very high	16 Å²	16	41 Å²	41	11%	0.112	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	155.7	168.7	67.7	0	0	0	0	110.6	G262 D263 Y317	G262-S381 CarbonylContact O-C 3.6Å; G262-S381 WeakPolarHBondContact O-CA 3.15Å; D263-S381 WeakPolarHBondContact OD1-CB 3.09Å; Y317-S381 WeakPolarHBondContact CA-OG 3.09Å; Y317-S381 WeakPolarHBondContact CB-OG 3.38Å; Y317-S381 PolarHBondContact O-OG 2.89Å
382	G	95.1	Very high	94.7	Very high	9 Å²	9	41 Å²	41	9%	0.093	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	160.5	166.5	0	0	0	0	0	110.3	H70 R261 G262	H70-G382 WeakPolarHBondContact O-CA 3.24Å; R261-G382 CarbonylContact C-O 3.37Å; R261-G382 WeakPolarHBondContact CA-O 3.38Å; G262-G382 PolarHBondContact N-O 3.12Å; G262-G382 PolarHBondContact O-N 3.45Å
383	I	95.5	Very high	94.4	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.026	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123.1	174.2	-57.2	170.9	0	0	0	108.4	L240 P259 F260 R261 R314 G316 Y317	L240-I383 HydrophobicContact CD1-CB 4.33Å; L240-I383 HydrophobicContact CD1-CG2 4.3Å; L240-I383 HydrophobicContact CD2-CG2 3.67Å; P259-I383 HydrophobicContact CB-CG2 3.52Å; F260-I383 WeakPolarHBondContact O-CA 3.45Å; R261-I383 HydrophobicContact CB-CG1 4.38Å; R261-I383 HydrophobicContact CG-CG1 4.24Å; R314-I383 WeakPolarHBondContact O-CD1 3.32Å; G316-I383 WeakPolarHBondContact O-CD1 3.4Å; Y317-I383 HydrophobicContact CD1-CD1 3.83Å; Y317-I383 HydrophobicContact CD1-CG1 3.78Å; Y317-I383 HydrophobicContact CE1-CB 4.1Å; Y317-I383 HydrophobicContact CE1-CD1 3.65Å; Y317-I383 HydrophobicContact CE1-CG1 3.59Å; Y317-I383 HydrophobicContact CG-CD1 4.35Å
384	R	93.5	Very high	94.1	Very high	75 Å²	75	39 Å²	39	28%	0.283	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	121.8	173.5	-179.8	173.5	170	177.2	-8.4	109.2	F260 Q386	F260-R384 PolarHBondContact N-O 3.14Å; F260-R384 PolarHBondContact O-N 2.88Å; R384-Q386 PolarHBondContact O-N 3.36Å
385	A	93.3	Very high	93.9	Very high	7 Å²	7	32.6 Å²	32.6	6%	0.058	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	108.8	163.3	0	0	0	0	0	108.9	L240 I257	L240-A385 HydrophobicContact CD2-CB 3.73Å; L240-A385 HydrophobicContact CG-CB 4.08Å; I257-A385 HydrophobicContact CG2-CB 3.64Å
386	Q	92.8	Very high	93.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	116.4	175.3	-175.7	57.8	57	0	0	109.4	V258 F260 R384 I388 L394 V395	V258-Q386 PolarHBondContact N-O 2.78Å; V258-Q386 PolarHBondContact O-N 2.91Å; F260-Q386 HydrophobicContact CD2-CB 3.65Å; F260-Q386 HydrophobicContact CD2-CG 4.32Å; F260-Q386 HydrophobicContact CE2-CB 3.86Å; F260-Q386 HydrophobicContact CE2-CG 4.15Å; R384-Q386 PolarHBondContact O-N 3.36Å; Q386-I388 HydrophobicContact CG-CG1 4.43Å; Q386-L394 HydrophobicContact CG-CD2 3.69Å; Q386-V395 PolarHBondContact NE2-O 2.76Å
387	A	95.1	Very high	93.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	135.5	173.8	0	0	0	0	0	110.9	P255 V256 I257 V395 N416	P255-A387 HydrophobicContact CB-CB 3.96Å; P255-A387 HydrophobicContact CG-CB 4Å; V256-A387 WeakPolarHBondContact O-CA 3.44Å; I257-A387 HydrophobicContact CD1-CB 3.79Å; A387-V395 HydrophobicContact CB-CB 3.78Å; A387-V395 HydrophobicContact CB-CG1 4.41Å; A387-V395 HydrophobicContact CB-CG2 4.16Å; A387-V395 PolarHBondContact O-N 3.17Å; A387-N416 HydrophobicContact CB-CB 3.8Å; A387-N416 VanDerWaalsContact CB-CG 3.42Å; A387-N416 VanDerWaalsContact CB-OD1 3.26Å; A387-N416 WeakPolarHBondContact CB-OD1 3.44Å
388	I	94	Very high	92.9	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	131.5	180	-45.2	-165.2	0	0	0	109.4	P255 V256 V258 L336 L339 Q386 T393 L394	P255-I388 WeakPolarHBondContact CA-O 3.32Å; P255-I388 WeakPolarHBondContact CB-O 3.39Å; V256-I388 PolarHBondContact N-O 2.89Å; V256-I388 PolarHBondContact O-N 2.95Å; V258-I388 HydrophobicContact CB-CD1 3.92Å; V258-I388 HydrophobicContact CB-CG1 4.3Å; V258-I388 HydrophobicContact CG1-CD1 4.45Å; V258-I388 HydrophobicContact CG2-CD1 3.55Å; V258-I388 HydrophobicContact CG2-CG1 3.88Å; L336-I388 HydrophobicContact CD1-CD1 4.28Å; L339-I388 HydrophobicContact CD2-CD1 3.49Å; L339-I388 VanDerWaalsContact CD2-CD1 3.49Å; L339-I388 HydrophobicContact CG-CD1 4.38Å; Q386-I388 HydrophobicContact CG-CG1 4.43Å; I388-T393 WeakPolarHBondContact CA-O 3.29Å; I388-L394 HydrophobicContact CD1-CD2 3.83Å; I388-L394 HydrophobicContact CG1-CD2 3.76Å
389	D	93.4	Very high	92.9	Very high	59 Å²	59	33 Å²	33	32%	0.316	19%	0.193	S	C	.	.			trans	-80.6	167.2	174.1	-79.9	-39.4	0	0	0	112.6	G335 D391 G392 T393 V395	G335-D389 VanDerWaalsContact CA-O 3.24Å; G335-D389 WeakPolarHBondContact CA-O 3.4Å; D389-D391 WeakPolarHBondContact CB-OD1 3.4Å; D389-D391 PolarHBondContact O-N 2.93Å; D389-D391 VanDerWaalsContact O-N 3.09Å; D389-G392 PolarHBondContact O-N 3.43Å; D389-T393 PolarHBondContact N-O 3.01Å; D389-V395 WeakPolarHBondContact OD2-CG2 3.5Å
390	S	91.4	Very high	92.8	Very high	62 Å²	62	33.4 Å²	33.4	43%	0.434	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-18.2	-176.4	68	0	0	0	0	114.7	K338	K338-S390 PolarHBondContact NZ-O 3.34Å
391	D	92.4	Very high	92.7	Very high	73 Å²	73	33.5 Å²	33.5	39%	0.39	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-5.9	175	71.1	-19	0	0	0	113.4	K338 D389 T393	K338-D391 VanDerWaalsContact CD-O 3.26Å; K338-D391 WeakPolarHBondContact CD-O 3.35Å; D389-D391 WeakPolarHBondContact CB-OD1 3.4Å; D389-D391 PolarHBondContact O-N 2.93Å; D389-D391 VanDerWaalsContact O-N 3.09Å; D391-T393 VanDerWaalsContact OD1-CB 3.23Å; D391-T393 WeakPolarHBondContact OD1-CB 3.45Å; D391-T393 PolarHBondContact OD1-N 3.23Å; D391-T393 PolarHBondContact OD1-OG1 3.05Å; D391-T393 PolarHBondContact OD2-OG1 3.36Å
392	G	90.8	Very high	92.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	85.3	9.3	-176.6	0	0	0	0	0	114	G335 L339 D389	G335-G392 VanDerWaalsContact O-CA 3.24Å; G335-G392 WeakPolarHBondContact O-CA 3.34Å; L339-G392 WeakPolarHBondContact CD1-O 3.36Å; D389-G392 PolarHBondContact O-N 3.43Å
393	T	91.5	Very high	91.7	Very high	58 Å²	58	35.3 Å²	35.3	36%	0.356	19%	0.187	S	C	.	.			trans	-73.3	137.2	172.8	-61.9	0	0	0	0	110	I388 D389 D391	I388-T393 WeakPolarHBondContact CA-O 3.29Å; D389-T393 PolarHBondContact N-O 3.01Å; D391-T393 VanDerWaalsContact OD1-CB 3.23Å; D391-T393 WeakPolarHBondContact OD1-CB 3.45Å; D391-T393 PolarHBondContact OD1-N 3.23Å; D391-T393 PolarHBondContact OD1-OG1 3.05Å; D391-T393 PolarHBondContact OD2-OG1 3.36Å
394	L	90.5	Very high	91	Very high	28 Å²	28	40.9 Å²	40.9	15%	0.147	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-79.1	129.3	174	-65.6	-177.2	0	0	0	109.6	P288 L339 Q386 I388 D396	P288-L394 HydrophobicContact CB-CD1 3.14Å; P288-L394 HydrophobicContact CG-CD1 4.14Å; L339-L394 HydrophobicContact CD1-CD1 4.47Å; L339-L394 HydrophobicContact CD1-CD2 3.73Å; L339-L394 HydrophobicContact CD1-CG 3.95Å; L339-L394 HydrophobicContact CD2-CD2 4.3Å; Q386-L394 HydrophobicContact CG-CD2 3.69Å; I388-L394 HydrophobicContact CD1-CD2 3.83Å; I388-L394 HydrophobicContact CG1-CD2 3.76Å; L394-D396 PolarHBondContact O-N 2.98Å
395	V	91.8	Very high	90.5	Very high	17 Å²	17	39.5 Å²	39.5	10%	0.103	23%	0.226	C	C	.	.			trans	-82.9	105	174.3	-177	0	0	0	0	107.9	P255 Q386 A387 D389 V399 N416	P255-V395 HydrophobicContact CB-CG2 4Å; P255-V395 HydrophobicContact CG-CG2 4.47Å; Q386-V395 PolarHBondContact NE2-O 2.76Å; A387-V395 HydrophobicContact CB-CB 3.78Å; A387-V395 HydrophobicContact CB-CG1 4.41Å; A387-V395 HydrophobicContact CB-CG2 4.16Å; A387-V395 PolarHBondContact O-N 3.17Å; D389-V395 WeakPolarHBondContact OD2-CG2 3.5Å; V395-V399 HydrophobicContact CG1-CG2 3.34Å; V395-N416 HydrophobicContact CG1-CB 4.32Å; V395-N416 WeakPolarHBondContact CG1-ND2 3.47Å; V395-N416 PolarHBondContact O-ND2 3.21Å
396	D	87	Confident	90	Very high	97 Å²	97	45.1 Å²	45.1	52%	0.519	25%	0.251	S	S	.	.			trans	-85.9	-32.8	-173	-81	-34.2	0	0	0	114.3	K87 L394	K87-D396 WeakPolarHBondContact CD-O 3.38Å; K87-D396 PolarHBondContact NZ-O 3.01Å; L394-D396 PolarHBondContact O-N 2.98Å
397	D	91.2	Very high	89.7	Confident	45 Å²	45	47.2 Å²	47.2	24%	0.241	26%	0.261	C	S	.	.	S	Bend	trans	-95.9	171.5	-176.1	-150.9	-7.5	0	0	0	112.2	S85 L86 K87 N416	S85-D397 WeakPolarHBondContact CB-OD2 3.49Å; L86-D397 WeakPolarHBondContact CB-OD1 3.4Å; L86-D397 PolarHBondContact N-OD2 3.23Å; K87-D397 WeakPolarHBondContact CB-OD1 3.48Å; K87-D397 PolarHBondContact N-OD1 3.4Å; D397-N416 PolarHBondContact O-ND2 3.35Å
398	F	91.7	Very high	89.3	Confident	23 Å²	23	47.2 Å²	47.2	10%	0.101	26%	0.262	C	S	.	.			trans	-64.5	134.5	176.8	-59.9	-60.4	0	0	0	111.6	L86 K87 L90 N416 A417 A421 A424 I428	L86-F398 HydrophobicContact CB-CD2 4Å; K87-F398 HydrophobicContact CB-CE2 4.35Å; L90-F398 HydrophobicContact CB-CE2 4.11Å; L90-F398 HydrophobicContact CD1-CD2 3.76Å; L90-F398 HydrophobicContact CD1-CE2 3.76Å; L90-F398 HydrophobicContact CG-CE2 4.43Å; F398-N416 VanDerWaalsContact CA-O 3.32Å; F398-N416 WeakPolarHBondContact CA-O 3.4Å; F398-A417 HydrophobicContact CD1-CB 4.08Å; F398-A417 HydrophobicContact CE1-CB 4.23Å; F398-A421 HydrophobicContact CE1-CB 4.18Å; F398-A424 HydrophobicContact CZ-CB 4.25Å; F398-I428 HydrophobicContact CD1-CD1 4.19Å; F398-I428 HydrophobicContact CE1-CD1 3.55Å; F398-I428 HydrophobicContact CE1-CG1 4.35Å; F398-I428 HydrophobicContact CE2-CD1 4.22Å; F398-I428 HydrophobicContact CE2-CG1 4.28Å; F398-I428 HydrophobicContact CZ-CD1 3.57Å; F398-I428 HydrophobicContact CZ-CG1 4.13Å
399	V	93.7	Very high	89.1	Confident	27 Å²	27	52.3 Å²	52.3	16%	0.164	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.6	176.1	179.7	0	0	0	0	110	V395 H401 R415 N416	V395-V399 HydrophobicContact CG1-CG2 3.34Å; V399-H401 VanDerWaalsContact CG1-CD2 3.47Å; V399-H401 WeakPolarHBondContact CG1-CD2 3.41Å; V399-H401 WeakPolarHBondContact CG1-NE2 3.37Å; V399-R415 HydrophobicContact CB-CB 4.13Å; V399-R415 HydrophobicContact CG1-CB 3.87Å; V399-R415 HydrophobicContact CG1-CG 4.47Å; V399-R415 PolarHBondContact O-N 2.95Å; V399-N416 HydrophobicContact CB-CB 3.87Å; V399-N416 HydrophobicContact CG2-CB 4.02Å; V399-N416 PolarHBondContact N-O 3.27Å; V399-N416 PolarHBondContact O-N 3.47Å
400	I	94.3	Very high	89.1	Confident	38 Å²	38	53.6 Å²	53.6	20%	0.195	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	119.3	176.8	-57.2	166.8	0	0	0	106.6	M412 H413 V431 L432 K435	I400-M412 HydrophobicContact CG2-CG 3.6Å; I400-M412 HydrophobicContact CG2-SD 3.76Å; I400-H413 CarbonylContact C-O 3.59Å; I400-H413 VanDerWaalsContact CA-O 3.3Å; I400-H413 WeakPolarHBondContact CA-O 3.35Å; I400-V431 HydrophobicContact CD1-CG1 4.23Å; I400-L432 HydrophobicContact CD1-CD2 3.61Å; I400-L432 HydrophobicContact CG1-CD2 4.02Å; I400-L432 HydrophobicContact CG2-CD2 4.3Å; I400-K435 HydrophobicContact CD1-CD 3.69Å; I400-K435 HydrophobicContact CG2-CD 4.17Å
401	H	93.1	Very high	89.4	Confident	63 Å²	63	50.7 Å²	50.7	29%	0.292	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	157.3	177.3	-72.3	176.5	0	0	0	110.5	V399 H413 R415	V399-H401 VanDerWaalsContact CG1-CD2 3.47Å; V399-H401 WeakPolarHBondContact CG1-CD2 3.41Å; V399-H401 WeakPolarHBondContact CG1-NE2 3.37Å; H401-H413 PolarHBondContact N-O 3.26Å; H401-H413 PolarHBondContact O-N 2.82Å; H401-R415 HydrophobicContact CB-CG 3.86Å
402	F	88.8	Confident	89.6	Confident	59 Å²	59	47.2 Å²	47.2	26%	0.259	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	152.2	167.4	-56.2	-82.5	0	0	0	108.4	M412 Y439	F402-M412 HydrophobicContact CD1-CB 4Å; F402-M412 HydrophobicContact CD1-CG 4.11Å; F402-M412 HydrophobicContact CE1-CB 3.82Å; F402-M412 HydrophobicContact CE1-CG 3.63Å; F402-M412 HydrophobicContact CE1-SD 3.8Å; F402-M412 HydrophobicContact CZ-CG 4.26Å; F402-M412 HydrophobicContact CZ-SD 4.09Å; F402-Y439 HydrophobicContact CB-CE1 3.95Å; F402-Y439 HydrophobicContact CB-CE2 4.27Å; F402-Y439 WeakPolarHBondContact CB-OH 3.3Å; F402-Y439 AromaticContact CD1-CD1 3.27Å; F402-Y439 HydrophobicContact CD1-CD1 3.27Å; F402-Y439 HydrophobicContact CD1-CD2 4.03Å; F402-Y439 AromaticContact CD1-CE1 3.15Å; F402-Y439 HydrophobicContact CD1-CE1 3.15Å; F402-Y439 AromaticContact CD1-CE2 3.95Å; F402-Y439 HydrophobicContact CD1-CE2 3.95Å; F402-Y439 AromaticContact CD1-CG 3.72Å; F402-Y439 HydrophobicContact CD1-CG 3.72Å; F402-Y439 AromaticContact CD1-CZ 3.53Å; F402-Y439 HydrophobicContact CD2-CD2 4.32Å; F402-Y439 HydrophobicContact CD2-CE2 4.05Å; F402-Y439 AromaticContact CE1-CD1 3.3Å; F402-Y439 HydrophobicContact CE1-CD1 3.3Å; F402-Y439 AromaticContact CE1-CD2 3.86Å; F402-Y439 HydrophobicContact CE1-CD2 3.86Å; F402-Y439 AromaticContact CE1-CE1 3.73Å; F402-Y439 HydrophobicContact CE1-CE1 3.73Å; F402-Y439 HydrophobicContact CE1-CE2 4.26Å; F402-Y439 AromaticContact CE1-CG 3.37Å; F402-Y439 HydrophobicContact CE1-CG 3.37Å; F402-Y439 HydrophobicContact CE2-CD2 4.18Å; F402-Y439 HydrophobicContact CE2-CE2 4.38Å; F402-Y439 HydrophobicContact CE2-CG 4.47Å; F402-Y439 HydrophobicContact CG-CD1 4.13Å; F402-Y439 HydrophobicContact CG-CD2 4.23Å; F402-Y439 AromaticContact CG-CE1 3.67Å; F402-Y439 HydrophobicContact CG-CE1 3.67Å; F402-Y439 AromaticContact CG-CE2 3.81Å; F402-Y439 HydrophobicContact CG-CE2 3.81Å; F402-Y439 HydrophobicContact CG-CG 4.38Å; F402-Y439 AromaticContact CG-CZ 3.52Å; F402-Y439 HydrophobicContact CZ-CD1 4.18Å; F402-Y439 AromaticContact CZ-CD2 3.94Å; F402-Y439 HydrophobicContact CZ-CD2 3.94Å; F402-Y439 HydrophobicContact CZ-CE2 4.46Å; F402-Y439 AromaticContact CZ-CG 3.79Å; F402-Y439 HydrophobicContact CZ-CG 3.79Å
403	G	79.4	Confident	89.9	Confident	4 Å²	4	47.2 Å²	47.2	4%	0.041	25%	0.245	C	C	.	.			trans	-79.3	161.4	177.7	0	0	0	0	0	112.8	C251 G408 K409 I411	C251-G403 WeakPolarHBondContact SG-CA 3.3Å; G403-G408 VanDerWaalsContact C-C 3.47Å; G403-G408 VanDerWaalsContact C-CA 3.48Å; G403-G408 WeakPolarHBondContact CA-O 3.25Å; G403-G408 PolarHBondContact N-O 2.76Å; G403-G408 VanDerWaalsContact N-O 3.12Å; G403-G408 CarbonylContact O-C 3.52Å; G403-K409 PolarHBondContact O-N 2.8Å; G403-I411 PolarHBondContact N-O 3.5Å
404	D	82	Confident	90.1	Very high	123 Å²	123	44.9 Å²	44.9	66%	0.658	23%	0.231	S	C	*	.	S	Bend	trans	-91.2	159.4	171.7	-63.5	-52.5	0	0	0	111	G408	D404-G408 WeakPolarHBondContact O-CA 3.27Å; D404-G408 PolarHBondContact O-N 3.22Å
405	G	82.6	Confident	90.4	Very high	45 Å²	45	43.7 Å²	43.7	46%	0.464	23%	0.225	S	C	.	.	H	α-helix	trans	77.7	-178.8	-179.7	0	0	0	0	0	114.3	I407 G408 K409	G405-I407 PolarHBondContact O-N 2.91Å; G405-G408 PolarHBondContact O-N 2.78Å; G405-K409 WeakPolarHBondContact O-CG 3.41Å; G405-K409 PolarHBondContact O-N 3.47Å; G405-K409 VanDerWaalsContact O-N 3.16Å
406	E	83.1	Confident	90.6	Very high	126 Å²	126	43 Å²	43	59%	0.589	22%	0.221	S	C	*	.	H	α-helix	trans	-66.7	-36.7	-169.9	-65.5	-54.6	109.3	0	0	113.2	K409	E406-K409 IonicContact OE1-NZ 3.18Å; E406-K409 PolarHBondContact OE1-NZ 2.87Å
407	I	86.6	Confident	90.9	Very high	43 Å²	43	39.9 Å²	39.9	22%	0.221	21%	0.208	C	C	.	.	H	α-helix	trans	-75.1	-44.6	172.6	-57.9	167.7	0	0	0	110.5	E202 G405 K409 R410 I411	E202-I407 HydrophobicContact CB-CD1 3.58Å; E202-I407 HydrophobicContact CB-CG1 3.77Å; E202-I407 VanDerWaalsContact N-CD1 3.29Å; G405-I407 PolarHBondContact O-N 2.91Å; I407-K409 VanDerWaalsContact C-N 3.28Å; I407-K409 PolarHBondContact O-N 3.29Å; I407-R410 WeakPolarHBondContact O-CA 3.28Å; I407-R410 WeakPolarHBondContact O-CB 3.15Å; I407-R410 PolarHBondContact O-N 2.89Å; I407-I411 HydrophobicContact CG2-CD1 3.69Å; I407-I411 HydrophobicContact CG2-CG1 4.43Å
408	G	86.7	Confident	90.9	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-60	-35	-173	0	0	0	0	0	113.8	G403 D404 G405 R410 I411	G403-G408 VanDerWaalsContact C-C 3.47Å; G403-G408 VanDerWaalsContact C-CA 3.48Å; G403-G408 WeakPolarHBondContact CA-O 3.25Å; G403-G408 PolarHBondContact N-O 2.76Å; G403-G408 VanDerWaalsContact N-O 3.12Å; G403-G408 CarbonylContact O-C 3.52Å; D404-G408 WeakPolarHBondContact O-CA 3.27Å; D404-G408 PolarHBondContact O-N 3.22Å; G405-G408 PolarHBondContact O-N 2.78Å; G408-R410 PolarHBondContact O-N 2.96Å; G408-R410 VanDerWaalsContact O-N 3.08Å; G408-I411 PolarHBondContact O-N 3.26Å
409	K	89.2	Confident	90.8	Very high	108 Å²	108	39.2 Å²	39.2	47%	0.47	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-13	172.5	-69.9	169	-172.8	164.4	0	114.2	G403 G405 E406 I407 Y439	G403-K409 PolarHBondContact O-N 2.8Å; G405-K409 WeakPolarHBondContact O-CG 3.41Å; G405-K409 PolarHBondContact O-N 3.47Å; G405-K409 VanDerWaalsContact O-N 3.16Å; E406-K409 IonicContact OE1-NZ 3.18Å; E406-K409 PolarHBondContact OE1-NZ 2.87Å; I407-K409 VanDerWaalsContact C-N 3.28Å; I407-K409 PolarHBondContact O-N 3.29Å; K409-Y439 WeakPolarHBondContact O-CE1 3.39Å
410	R	94.2	Very high	90.9	Very high	86 Å²	86	38 Å²	38	33%	0.325	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	7.2	177.7	-57.3	175.5	172	-83.7	-2.1	112.4	I211 Y233 V234 I407 G408	I211-R410 HydrophobicContact CD1-CB 3.61Å; I211-R410 HydrophobicContact CG1-CB 4.47Å; Y233-R410 WeakPolarHBondContact CA-O 3.17Å; Y233-R410 HydrophobicContact CD1-CB 3.93Å; Y233-R410 HydrophobicContact CD1-CG 4.28Å; Y233-R410 HydrophobicContact CE1-CB 4.45Å; Y233-R410 HydrophobicContact CE1-CG 4.32Å; V234-R410 PolarHBondContact N-O 3.44Å; I407-R410 WeakPolarHBondContact O-CA 3.28Å; I407-R410 WeakPolarHBondContact O-CB 3.15Å; I407-R410 PolarHBondContact O-N 2.89Å; G408-R410 PolarHBondContact O-N 2.96Å; G408-R410 VanDerWaalsContact O-N 3.08Å
411	I	96.2	Very high	91	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	123.6	-174.9	-49.5	179.9	0	0	0	110.8	I200 I211 V234 T236 G403 I407 G408 H413	I200-I411 HydrophobicContact CG2-CD1 3.7Å; I211-I411 HydrophobicContact CD1-CG1 4.27Å; V234-I411 HydrophobicContact CB-CB 4.43Å; V234-I411 HydrophobicContact CB-CG1 4.06Å; V234-I411 HydrophobicContact CB-CG2 3.96Å; V234-I411 HydrophobicContact CG1-CG2 4.19Å; V234-I411 HydrophobicContact CG2-CG1 4.45Å; V234-I411 WeakPolarHBondContact O-CA 3.42Å; T236-I411 HydrophobicContact CG2-CG2 4.23Å; G403-I411 PolarHBondContact N-O 3.5Å; I407-I411 HydrophobicContact CG2-CD1 3.69Å; I407-I411 HydrophobicContact CG2-CG1 4.43Å; G408-I411 PolarHBondContact O-N 3.26Å; I411-H413 WeakPolarHBondContact CG2-CE1 3.39Å; I411-H413 WeakPolarHBondContact CG2-NE2 3.32Å
412	M	96.9	Very high	91.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.3	172.1	-176.8	172.5	56.4	0	0	110	V234 I235 T236 I400 F402 L432 K435 A436 F440	V234-M412 PolarHBondContact O-N 3.06Å; I235-M412 CarbonylContact C-O 3.52Å; I235-M412 WeakPolarHBondContact CA-O 3.31Å; I235-M412 HydrophobicContact CB-CE 4.38Å; I235-M412 HydrophobicContact CD1-CE 3.64Å; I235-M412 HydrophobicContact CG1-CB 4.36Å; I235-M412 HydrophobicContact CG1-CE 3.73Å; I235-M412 HydrophobicContact CG2-CE 3.78Å; T236-M412 PolarHBondContact N-O 2.96Å; I400-M412 HydrophobicContact CG2-CG 3.6Å; I400-M412 HydrophobicContact CG2-SD 3.76Å; F402-M412 HydrophobicContact CD1-CB 4Å; F402-M412 HydrophobicContact CD1-CG 4.11Å; F402-M412 HydrophobicContact CE1-CB 3.82Å; F402-M412 HydrophobicContact CE1-CG 3.63Å; F402-M412 HydrophobicContact CE1-SD 3.8Å; F402-M412 HydrophobicContact CZ-CG 4.26Å; F402-M412 HydrophobicContact CZ-SD 4.09Å; M412-L432 HydrophobicContact CE-CB 4.21Å; M412-L432 HydrophobicContact CE-CD2 3.9Å; M412-L432 WeakPolarHBondContact CE-O 3.3Å; M412-L432 HydrophobicContact SD-CD2 4.03Å; M412-K435 HydrophobicContact SD-CB 3.81Å; M412-A436 HydrophobicContact CE-CB 4.04Å; M412-F440 HydrophobicContact CB-CZ 3.86Å
413	H	97	Very high	91.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	119.1	-177.7	-63.6	-84.5	0	0	0	111.9	T236 A246 S249 C251 I400 H401 I411 R415	T236-H413 WeakPolarHBondContact OG1-CA 3.48Å; T236-H413 PolarHBondContact OG1-ND1 3.4Å; A246-H413 HydrophobicContact CB-CB 4.43Å; S249-H413 PolarHBondContact OG-CE1 3.47Å; S249-H413 PolarHBondContact OG-NE2 2.95Å; C251-H413 PolarHBondContact SG-CD2 3.25Å; C251-H413 PolarHBondContact SG-NE2 3.22Å; C251-H413 VanDerWaalsContact SG-NE2 3.35Å; I400-H413 CarbonylContact C-O 3.59Å; I400-H413 VanDerWaalsContact CA-O 3.3Å; I400-H413 WeakPolarHBondContact CA-O 3.35Å; H401-H413 PolarHBondContact N-O 3.26Å; H401-H413 PolarHBondContact O-N 2.82Å; I411-H413 WeakPolarHBondContact CG2-CE1 3.39Å; I411-H413 WeakPolarHBondContact CG2-NE2 3.32Å; H413-R415 HydrophobicContact CB-CG 4.04Å; H413-R415 PolarHBondContact O-N 2.93Å; H413-R415 VanDerWaalsContact O-N 3.14Å
414	V	97.3	Very high	92.6	Very high	10 Å²	10	31.6 Å²	31.6	6%	0.061	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	96.9	163.4	-174.7	0	0	0	0	107.8	T236 S242 A417 L432	T236-V414 WeakPolarHBondContact O-CB 3.5Å; T236-V414 PolarHBondContact O-N 3Å; S242-V414 WeakPolarHBondContact CB-O 3.5Å; V414-A417 HydrophobicContact CG1-CB 3.86Å; V414-L432 HydrophobicContact CG2-CD1 3.58Å; V414-L432 HydrophobicContact CG2-CD2 3.67Å; V414-L432 HydrophobicContact CG2-CG 4.31Å
415	R	95.6	Very high	93.4	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.008	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-35	-174.9	-64.8	-62.8	-61.9	-90.9	-5	112.5	S242 A246 S252 N254 P255 I257 V399 H401 H413	S242-R415 PolarHBondContact OG-O 3.32Å; A246-R415 VanDerWaalsContact CB-NH1 3.31Å; S252-R415 PolarHBondContact O-NH1 2.89Å; S252-R415 PolarHBondContact O-NH2 3.19Å; S252-R415 VanDerWaalsContact O-NH2 3.15Å; N254-R415 VanDerWaalsContact C-NH2 3.31Å; N254-R415 PolarHBondContact O-NH2 3.29Å; N254-R415 VanDerWaalsContact O-NH2 3.1Å; P255-R415 PolarHBondContact O-NH2 2.79Å; I257-R415 WeakPolarHBondContact CD1-O 3.34Å; V399-R415 HydrophobicContact CB-CB 4.13Å; V399-R415 HydrophobicContact CG1-CB 3.87Å; V399-R415 HydrophobicContact CG1-CG 4.47Å; V399-R415 PolarHBondContact O-N 2.95Å; H401-R415 HydrophobicContact CB-CG 3.86Å; H413-R415 HydrophobicContact CB-CG 4.04Å; H413-R415 PolarHBondContact O-N 2.93Å; H413-R415 VanDerWaalsContact O-N 3.14Å
416	N	95.7	Very high	94.2	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	121.6	177.6	-169	41.2	0	0	0	110.2	A387 V395 D397 F398 V399	A387-N416 HydrophobicContact CB-CB 3.8Å; A387-N416 VanDerWaalsContact CB-CG 3.42Å; A387-N416 VanDerWaalsContact CB-OD1 3.26Å; A387-N416 WeakPolarHBondContact CB-OD1 3.44Å; V395-N416 HydrophobicContact CG1-CB 4.32Å; V395-N416 WeakPolarHBondContact CG1-ND2 3.47Å; V395-N416 PolarHBondContact O-ND2 3.21Å; D397-N416 PolarHBondContact O-ND2 3.35Å; F398-N416 VanDerWaalsContact CA-O 3.32Å; F398-N416 WeakPolarHBondContact CA-O 3.4Å; V399-N416 HydrophobicContact CB-CB 3.87Å; V399-N416 HydrophobicContact CG2-CB 4.02Å; V399-N416 PolarHBondContact N-O 3.27Å; V399-N416 PolarHBondContact O-N 3.47Å
417	A	94.7	Very high	94.9	Very high	30 Å²	30	18.2 Å²	18.2	25%	0.248	10%	0.098	C	C	.	.			trans	-141.7	70.6	172.1	0	0	0	0	0	110.3	V37 F398 V414 A421	V37-A417 HydrophobicContact CG2-CB 4.4Å; F398-A417 HydrophobicContact CD1-CB 4.08Å; F398-A417 HydrophobicContact CE1-CB 4.23Å; V414-A417 HydrophobicContact CG1-CB 3.86Å; A417-A421 HydrophobicContact CB-CB 3.99Å; A417-A421 VanDerWaalsContact O-CB 3.25Å; A417-A421 WeakPolarHBondContact O-CB 3.24Å
418	P	89.7	Confident	95.5	Very high	3 Å²	3	16.5 Å²	16.5	2%	0.019	9%	0.089	C	C	.	.			trans	-73.7	177	-179.4	33.7	-34.6	0	0	0	110.5	A421	P418-A421 WeakPolarHBondContact O-CB 3.19Å; P418-A421 PolarHBondContact O-N 3.3Å
419	S	90.9	Very high	96	Very high	52 Å²	52	16.5 Å²	16.5	36%	0.364	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	129.3	167.8	172.6	0	0	0	0	109.6	H76 K87	H76-S419 PolarHBondContact NE2-OG 3.19Å; K87-S419 WeakPolarHBondContact CE-O 3.36Å; K87-S419 PolarHBondContact NZ-O 3.14Å
420	P	95.1	Very high	96.5	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.013	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	cis	-99.8	32.9	20.8	39.9	-35.5	0	0	0	115.2	H76 Y81 K87 C91 A422 T423 A424	H76-P420 HydrophobicContact CB-CB 3.89Å; Y81-P420 HydrophobicContact CD2-CG 4.42Å; Y81-P420 HydrophobicContact CE2-CB 4.14Å; Y81-P420 HydrophobicContact CE2-CG 3.55Å; Y81-P420 WeakPolarHBondContact OH-CB 3.21Å; Y81-P420 WeakPolarHBondContact OH-CD 3.15Å; Y81-P420 WeakPolarHBondContact OH-CG 3.27Å; K87-P420 VanDerWaalsContact CE-CD 3.47Å; K87-P420 HydrophobicContact CG-CG 4.28Å; C91-P420 HydrophobicContact CB-CB 4.4Å; C91-P420 HydrophobicContact CB-CG 3.64Å; P420-A422 PolarHBondContact O-N 3.35Å; P420-T423 WeakPolarHBondContact O-CA 3.5Å; P420-T423 PolarHBondContact O-N 3.06Å; P420-A424 PolarHBondContact O-N 3.08Å
421	A	97.2	Very high	96.6	Very high	7 Å²	7	9.6 Å²	9.6	6%	0.058	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-30.5	-173.9	0	0	0	0	0	115.8	V37 F398 A417 P418 A424 S425 I428	V37-A421 HydrophobicContact CG2-CB 4.16Å; F398-A421 HydrophobicContact CE1-CB 4.18Å; A417-A421 HydrophobicContact CB-CB 3.99Å; A417-A421 VanDerWaalsContact O-CB 3.25Å; A417-A421 WeakPolarHBondContact O-CB 3.24Å; P418-A421 WeakPolarHBondContact O-CB 3.19Å; P418-A421 PolarHBondContact O-N 3.3Å; A421-A424 CarbonylContact O-C 3.5Å; A421-S425 WeakPolarHBondContact O-CA 2.88Å; A421-S425 VanDerWaalsContact O-CB 3.3Å; A421-S425 WeakPolarHBondContact O-CB 3.43Å; A421-S425 PolarHBondContact O-N 3.5Å; A421-I428 HydrophobicContact CB-CD1 4.01Å
422	A	98.2	Very high	96.7	Very high	20 Å²	20	9.6 Å²	9.6	17%	0.165	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-49.9	174.3	0	0	0	0	0	112	I36 W173 P420 A424 S425	I36-A422 HydrophobicContact CD1-CB 4.13Å; I36-A422 HydrophobicContact CG2-CB 4.39Å; W173-A422 HydrophobicContact CD2-CB 3.58Å; W173-A422 HydrophobicContact CE3-CB 3.96Å; W173-A422 HydrophobicContact CG-CB 3.85Å; W173-A422 HydrophobicContact CZ2-CB 4.26Å; W173-A422 HydrophobicContact CZ3-CB 4.44Å; W173-A422 VanDerWaalsContact CZ3-O 3.32Å; W173-A422 WeakPolarHBondContact CZ3-O 3.44Å; P420-A422 PolarHBondContact O-N 3.35Å; A422-A424 VanDerWaalsContact C-N 3.33Å; A422-A424 PolarHBondContact O-N 2.95Å; A422-S425 WeakPolarHBondContact O-CB 3.27Å; A422-S425 PolarHBondContact O-N 3.45Å; A422-S425 PolarHBondContact O-OG 3.19Å
423	T	98.6	Very high	96.8	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.006	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-38.7	173.3	-50.2	0	0	0	0	112.3	I75 H76 G94 L95 S98 W173 P420 S425	I75-T423 HydrophobicContact CG2-CG2 3.71Å; H76-T423 PolarHBondContact N-OG1 3.05Å; H76-T423 WeakPolarHBondContact O-CG2 3.42Å; G94-T423 CarbonylContact C-O 3.59Å; G94-T423 VanDerWaalsContact CA-O 3.27Å; G94-T423 WeakPolarHBondContact CA-O 3.4Å; L95-T423 HydrophobicContact CB-CG2 4.33Å; L95-T423 HydrophobicContact CD1-CG2 4.44Å; S98-T423 PolarHBondContact OG-O 3.31Å; W173-T423 WeakPolarHBondContact CZ2-OG1 3.44Å; P420-T423 WeakPolarHBondContact O-CA 3.5Å; P420-T423 PolarHBondContact O-N 3.06Å; T423-S425 PolarHBondContact O-N 3.19Å
424	A	98.2	Very high	96.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	1.1	178	0	0	0	0	0	113.5	L90 F398 P420 A421 A422 L426 A427 I428	L90-A424 HydrophobicContact CB-CB 4.11Å; L90-A424 WeakPolarHBondContact O-CB 3.24Å; F398-A424 HydrophobicContact CZ-CB 4.25Å; P420-A424 PolarHBondContact O-N 3.08Å; A421-A424 CarbonylContact O-C 3.5Å; A422-A424 VanDerWaalsContact C-N 3.33Å; A422-A424 PolarHBondContact O-N 2.95Å; A424-L426 PolarHBondContact O-N 2.85Å; A424-A427 PolarHBondContact O-N 2.96Å; A424-I428 HydrophobicContact CB-CD1 3.77Å; A424-I428 HydrophobicContact CB-CG1 4.06Å; A424-I428 VanDerWaalsContact O-CG1 3.3Å; A424-I428 WeakPolarHBondContact O-CG1 3.26Å; A424-I428 PolarHBondContact O-N 3.02Å
425	S	98.6	Very high	96.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.6	-42.7	-164.5	55.2	0	0	0	0	113.7	A40 Y180 A421 A422 T423 I428 G429	A40-S425 VanDerWaalsContact CB-O 3.29Å; A40-S425 WeakPolarHBondContact CB-O 3.4Å; Y180-S425 PolarHBondContact OH-OG 2.94Å; A421-S425 WeakPolarHBondContact O-CA 2.88Å; A421-S425 VanDerWaalsContact O-CB 3.3Å; A421-S425 WeakPolarHBondContact O-CB 3.43Å; A421-S425 PolarHBondContact O-N 3.5Å; A422-S425 WeakPolarHBondContact O-CB 3.27Å; A422-S425 PolarHBondContact O-N 3.45Å; A422-S425 PolarHBondContact O-OG 3.19Å; T423-S425 PolarHBondContact O-N 3.19Å; S425-I428 PolarHBondContact O-N 2.93Å; S425-G429 PolarHBondContact O-N 3.06Å
426	L	98.7	Very high	96.8	Very high	14 Å²	14	16.1 Å²	16.1	7%	0.073	10%	0.097	C	C	.	.	H	α-helix	trans	-65.2	-42.3	175.4	-70.1	168.7	0	0	0	112.2	K97 Y101 Y180 A424 G429 C430	K97-L426 HydrophobicContact CB-CB 4.06Å; K97-L426 HydrophobicContact CB-CD1 3.96Å; K97-L426 HydrophobicContact CD-CB 4.08Å; K97-L426 WeakPolarHBondContact O-CD1 3.33Å; Y101-L426 HydrophobicContact CD2-CD1 4.29Å; Y101-L426 HydrophobicContact CG-CD1 4.02Å; Y180-L426 HydrophobicContact CE1-CD1 4.49Å; Y180-L426 HydrophobicContact CE1-CD2 3.81Å; Y180-L426 HydrophobicContact CE1-CG 4.26Å; Y180-L426 HydrophobicContact CE2-CD2 4.5Å; Y180-L426 WeakPolarHBondContact OH-CG 3.49Å; A424-L426 PolarHBondContact O-N 2.85Å; L426-G429 PolarHBondContact O-N 3Å; L426-C430 PolarHBondContact O-N 2.99Å; L426-C430 PolarHBondContact O-SG 3.26Å; L426-C430 VanDerWaalsContact O-SG 3.37Å
427	A	98.3	Very high	96.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.8	-40.4	178.1	0	0	0	0	0	111.6	L90 E93 K97 A424 G429 C430 V431	L90-A427 HydrophobicContact CB-CB 4.18Å; L90-A427 HydrophobicContact CD2-CB 3.91Å; E93-A427 HydrophobicContact CB-CB 4.32Å; E93-A427 HydrophobicContact CG-CB 4.14Å; K97-A427 HydrophobicContact CD-CB 4.35Å; A424-A427 PolarHBondContact O-N 2.96Å; A427-G429 VanDerWaalsContact C-N 3.31Å; A427-G429 PolarHBondContact O-N 3.25Å; A427-C430 WeakPolarHBondContact O-CB 3.1Å; A427-C430 PolarHBondContact O-N 3.4Å; A427-V431 WeakPolarHBondContact O-CG2 3.03Å; A427-V431 PolarHBondContact O-N 3.49Å
428	I	98.3	Very high	96.7	Very high	7 Å²	7	24.7 Å²	24.7	4%	0.036	13%	0.132	C	C	.	.	H	α-helix	trans	-60.6	-42.1	171.4	-66.8	165.8	0	0	0	110.3	V37 L90 F398 A421 A424 S425 C430 V431 L432	V37-I428 HydrophobicContact CG1-CG2 3.84Å; L90-I428 HydrophobicContact CD1-CG1 3.97Å; F398-I428 HydrophobicContact CD1-CD1 4.19Å; F398-I428 HydrophobicContact CE1-CD1 3.55Å; F398-I428 HydrophobicContact CE1-CG1 4.35Å; F398-I428 HydrophobicContact CE2-CD1 4.22Å; F398-I428 HydrophobicContact CE2-CG1 4.28Å; F398-I428 HydrophobicContact CZ-CD1 3.57Å; F398-I428 HydrophobicContact CZ-CG1 4.13Å; A421-I428 HydrophobicContact CB-CD1 4.01Å; A424-I428 HydrophobicContact CB-CD1 3.77Å; A424-I428 HydrophobicContact CB-CG1 4.06Å; A424-I428 VanDerWaalsContact O-CG1 3.3Å; A424-I428 WeakPolarHBondContact O-CG1 3.26Å; A424-I428 PolarHBondContact O-N 3.02Å; S425-I428 PolarHBondContact O-N 2.93Å; I428-C430 VanDerWaalsContact C-N 3.33Å; I428-C430 PolarHBondContact O-N 2.96Å; I428-V431 PolarHBondContact O-N 3.5Å; I428-L432 HydrophobicContact CG2-CD1 3.65Å; I428-L432 HydrophobicContact CG2-CG 4.19Å; I428-L432 WeakPolarHBondContact O-CB 3.14Å; I428-L432 WeakPolarHBondContact O-CG 3.5Å; I428-L432 PolarHBondContact O-N 3.35Å
429	G	98.4	Very high	96.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56.6	-44.9	174.8	0	0	0	0	0	112.3	S425 L426 A427 L432 A433	S425-G429 PolarHBondContact O-N 3.06Å; L426-G429 PolarHBondContact O-N 3Å; A427-G429 VanDerWaalsContact C-N 3.31Å; A427-G429 PolarHBondContact O-N 3.25Å; G429-L432 PolarHBondContact O-N 3.23Å; G429-A433 WeakPolarHBondContact O-CB 3.48Å; G429-A433 PolarHBondContact O-N 3.43Å
430	C	98.2	Very high	97	Very high	16 Å²	16	26.6 Å²	26.6	11%	0.108	13%	0.132	C	C	.	.	H	α-helix	trans	-59.5	-50	173.5	-62.6	0	0	0	0	111.9	E44 L426 A427 I428 L432 A433 D434	E44-C430 PolarHBondContact OE1-SG 2.76Å; E44-C430 VanDerWaalsContact OE1-SG 3.36Å; L426-C430 PolarHBondContact O-N 2.99Å; L426-C430 PolarHBondContact O-SG 3.26Å; L426-C430 VanDerWaalsContact O-SG 3.37Å; A427-C430 WeakPolarHBondContact O-CB 3.1Å; A427-C430 PolarHBondContact O-N 3.4Å; I428-C430 VanDerWaalsContact C-N 3.33Å; I428-C430 PolarHBondContact O-N 2.96Å; C430-L432 VanDerWaalsContact C-N 3.3Å; C430-L432 PolarHBondContact O-N 2.96Å; C430-A433 PolarHBondContact O-N 2.73Å; C430-A433 VanDerWaalsContact O-N 3.14Å; C430-D434 VanDerWaalsContact O-CG 3.26Å; C430-D434 PolarHBondContact O-N 2.94Å
431	V	97.8	Very high	96.8	Very high	33 Å²	33	33.6 Å²	33.6	20%	0.2	17%	0.169	C	C	.	.	H	α-helix	trans	-59.6	-40.2	179	171.2	0	0	0	0	112	L90 I400 A427 I428 K435	L90-V431 HydrophobicContact CD1-CG2 4.13Å; L90-V431 HydrophobicContact CD2-CG2 3.79Å; I400-V431 HydrophobicContact CD1-CG1 4.23Å; A427-V431 WeakPolarHBondContact O-CG2 3.03Å; A427-V431 PolarHBondContact O-N 3.49Å; I428-V431 PolarHBondContact O-N 3.5Å; V431-K435 HydrophobicContact CG1-CD 4.38Å; V431-K435 WeakPolarHBondContact O-CB 3.28Å; V431-K435 WeakPolarHBondContact O-CG 3.19Å; V431-K435 PolarHBondContact O-N 3.11Å
432	L	98.1	Very high	96.4	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-71	-36.5	178	-69.9	169.8	0	0	0	111.6	V37 T41 I400 M412 V414 I428 G429 C430 K435 A436	V37-L432 HydrophobicContact CG1-CD1 4.12Å; T41-L432 HydrophobicContact CG2-CB 3.76Å; T41-L432 HydrophobicContact CG2-CD1 4.12Å; T41-L432 WeakPolarHBondContact OG1-CD1 3.4Å; I400-L432 HydrophobicContact CD1-CD2 3.61Å; I400-L432 HydrophobicContact CG1-CD2 4.02Å; I400-L432 HydrophobicContact CG2-CD2 4.3Å; M412-L432 HydrophobicContact CE-CB 4.21Å; M412-L432 HydrophobicContact CE-CD2 3.9Å; M412-L432 WeakPolarHBondContact CE-O 3.3Å; M412-L432 HydrophobicContact SD-CD2 4.03Å; V414-L432 HydrophobicContact CG2-CD1 3.58Å; V414-L432 HydrophobicContact CG2-CD2 3.67Å; V414-L432 HydrophobicContact CG2-CG 4.31Å; I428-L432 HydrophobicContact CG2-CD1 3.65Å; I428-L432 HydrophobicContact CG2-CG 4.19Å; I428-L432 WeakPolarHBondContact O-CB 3.14Å; I428-L432 WeakPolarHBondContact O-CG 3.5Å; I428-L432 PolarHBondContact O-N 3.35Å; G429-L432 PolarHBondContact O-N 3.23Å; C430-L432 VanDerWaalsContact C-N 3.3Å; C430-L432 PolarHBondContact O-N 2.96Å; L432-K435 PolarHBondContact O-N 2.88Å; L432-A436 VanDerWaalsContact O-CB 3.24Å; L432-A436 WeakPolarHBondContact O-CB 3.48Å; L432-A436 PolarHBondContact O-N 2.73Å
433	A	97.9	Very high	95.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.8	-42.2	173.6	0	0	0	0	0	112	E44 L45 G429 C430 A436 Q437	E44-A433 HydrophobicContact CB-CB 4.41Å; E44-A433 HydrophobicContact CG-CB 3.68Å; L45-A433 HydrophobicContact CD2-CB 3.89Å; L45-A433 HydrophobicContact CG-CB 4.35Å; G429-A433 WeakPolarHBondContact O-CB 3.48Å; G429-A433 PolarHBondContact O-N 3.43Å; C430-A433 PolarHBondContact O-N 2.73Å; C430-A433 VanDerWaalsContact O-N 3.14Å; A433-A436 PolarHBondContact O-N 2.9Å; A433-Q437 WeakPolarHBondContact O-CB 3.1Å; A433-Q437 PolarHBondContact O-N 2.76Å
434	D	97.1	Very high	93.8	Very high	77 Å²	77	42.3 Å²	42.3	41%	0.412	22%	0.218	S	C	.	.	H	α-helix	trans	-59.2	-48.5	174.4	-65.7	-30.6	0	0	0	110.9	R48 C430 A436 Q437 E438	R48-D434 IonicContact CZ-OD1 2.81Å; R48-D434 IonicContact NH1-OD1 3.78Å; R48-D434 PolarHBondContact NH1-OD1 3.38Å; R48-D434 IonicContact NH2-OD1 2.78Å; C430-D434 VanDerWaalsContact O-CG 3.26Å; C430-D434 PolarHBondContact O-N 2.94Å; D434-A436 PolarHBondContact O-N 2.98Å; D434-Q437 WeakPolarHBondContact O-CB 3.44Å; D434-Q437 PolarHBondContact O-N 3.39Å; D434-E438 PolarHBondContact O-N 2.96Å
435	K	96.2	Very high	91.7	Very high	72 Å²	72	43.2 Å²	43.2	31%	0.313	23%	0.227	S	C	.	.	H	α-helix	trans	-64.9	-39.5	178	-77	-176.2	175.2	-60.9	0	112.9	I400 M412 V431 L432 Q437 Y439	I400-K435 HydrophobicContact CD1-CD 3.69Å; I400-K435 HydrophobicContact CG2-CD 4.17Å; M412-K435 HydrophobicContact SD-CB 3.81Å; V431-K435 HydrophobicContact CG1-CD 4.38Å; V431-K435 WeakPolarHBondContact O-CB 3.28Å; V431-K435 WeakPolarHBondContact O-CG 3.19Å; V431-K435 PolarHBondContact O-N 3.11Å; L432-K435 PolarHBondContact O-N 2.88Å; K435-Q437 VanDerWaalsContact C-N 3.33Å; K435-Y439 WeakPolarHBondContact O-CB 3.4Å; K435-Y439 PolarHBondContact O-N 2.76Å
436	A	96.2	Very high	89.3	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.9	-42.5	175.4	0	0	0	0	0	110.7	L45 I235 M412 L432 A433 D434 F440 L442	L45-A436 HydrophobicContact CD2-CB 4.11Å; I235-A436 HydrophobicContact CD1-CB 3.91Å; M412-A436 HydrophobicContact CE-CB 4.04Å; L432-A436 VanDerWaalsContact O-CB 3.24Å; L432-A436 WeakPolarHBondContact O-CB 3.48Å; L432-A436 PolarHBondContact O-N 2.73Å; A433-A436 PolarHBondContact O-N 2.9Å; D434-A436 PolarHBondContact O-N 2.98Å; A436-F440 HydrophobicContact CB-CD2 3.85Å; A436-F440 HydrophobicContact CB-CE2 4.04Å; A436-F440 WeakPolarHBondContact O-CA 3.44Å; A436-F440 WeakPolarHBondContact O-CB 3.41Å; A436-F440 PolarHBondContact O-N 2.8Å; A436-L442 HydrophobicContact CB-CD1 4.24Å
437	Q	95.6	Very high	86.9	Confident	54 Å²	54	56 Å²	56	25%	0.252	30%	0.298	S	S	.	.	H	α-helix	trans	-59.4	-49.9	177	-172.4	-178	-29.9	0	0	112	F49 A433 D434 K435 D441 L442	F49-Q437 HydrophobicContact CE1-CG 4.34Å; F49-Q437 HydrophobicContact CZ-CB 3.91Å; F49-Q437 HydrophobicContact CZ-CG 3.88Å; A433-Q437 WeakPolarHBondContact O-CB 3.1Å; A433-Q437 PolarHBondContact O-N 2.76Å; D434-Q437 WeakPolarHBondContact O-CB 3.44Å; D434-Q437 PolarHBondContact O-N 3.39Å; K435-Q437 VanDerWaalsContact C-N 3.33Å; Q437-D441 WeakPolarHBondContact O-CA 3.5Å; Q437-D441 PolarHBondContact O-N 2.86Å; Q437-L442 HydrophobicContact CG-CB 4.41Å; Q437-L442 WeakPolarHBondContact CG-O 3.35Å; Q437-L442 PolarHBondContact O-N 3.02Å
438	E	94.3	Very high	84.6	Confident	160 Å²	160	63.8 Å²	63.8	75%	0.748	33%	0.327	S	S	*	.	H	α-helix	trans	-66.7	-50.9	-180	-176.9	-174.2	175.3	0	0	111.7	D434	D434-E438 PolarHBondContact O-N 2.96Å
439	Y	92.1	Very high	82.2	Confident	91 Å²	91	68.2 Å²	68.2	36%	0.357	36%	0.358	S	S	.	.	H	α-helix	trans	-79.3	-33.8	-169.2	-169.9	-99	0	0	0	113.4	F402 K409 K435 D441	F402-Y439 HydrophobicContact CB-CE1 3.95Å; F402-Y439 HydrophobicContact CB-CE2 4.27Å; F402-Y439 WeakPolarHBondContact CB-OH 3.3Å; F402-Y439 AromaticContact CD1-CD1 3.27Å; F402-Y439 HydrophobicContact CD1-CD1 3.27Å; F402-Y439 HydrophobicContact CD1-CD2 4.03Å; F402-Y439 AromaticContact CD1-CE1 3.15Å; F402-Y439 HydrophobicContact CD1-CE1 3.15Å; F402-Y439 AromaticContact CD1-CE2 3.95Å; F402-Y439 HydrophobicContact CD1-CE2 3.95Å; F402-Y439 AromaticContact CD1-CG 3.72Å; F402-Y439 HydrophobicContact CD1-CG 3.72Å; F402-Y439 AromaticContact CD1-CZ 3.53Å; F402-Y439 HydrophobicContact CD2-CD2 4.32Å; F402-Y439 HydrophobicContact CD2-CE2 4.05Å; F402-Y439 AromaticContact CE1-CD1 3.3Å; F402-Y439 HydrophobicContact CE1-CD1 3.3Å; F402-Y439 AromaticContact CE1-CD2 3.86Å; F402-Y439 HydrophobicContact CE1-CD2 3.86Å; F402-Y439 AromaticContact CE1-CE1 3.73Å; F402-Y439 HydrophobicContact CE1-CE1 3.73Å; F402-Y439 HydrophobicContact CE1-CE2 4.26Å; F402-Y439 AromaticContact CE1-CG 3.37Å; F402-Y439 HydrophobicContact CE1-CG 3.37Å; F402-Y439 HydrophobicContact CE2-CD2 4.18Å; F402-Y439 HydrophobicContact CE2-CE2 4.38Å; F402-Y439 HydrophobicContact CE2-CG 4.47Å; F402-Y439 HydrophobicContact CG-CD1 4.13Å; F402-Y439 HydrophobicContact CG-CD2 4.23Å; F402-Y439 AromaticContact CG-CE1 3.67Å; F402-Y439 HydrophobicContact CG-CE1 3.67Å; F402-Y439 AromaticContact CG-CE2 3.81Å; F402-Y439 HydrophobicContact CG-CE2 3.81Å; F402-Y439 HydrophobicContact CG-CG 4.38Å; F402-Y439 AromaticContact CG-CZ 3.52Å; F402-Y439 HydrophobicContact CZ-CD1 4.18Å; F402-Y439 AromaticContact CZ-CD2 3.94Å; F402-Y439 HydrophobicContact CZ-CD2 3.94Å; F402-Y439 HydrophobicContact CZ-CE2 4.46Å; F402-Y439 AromaticContact CZ-CG 3.79Å; F402-Y439 HydrophobicContact CZ-CG 3.79Å; K409-Y439 WeakPolarHBondContact O-CE1 3.39Å; K435-Y439 WeakPolarHBondContact O-CB 3.4Å; K435-Y439 PolarHBondContact O-N 2.76Å; Y439-D441 VanDerWaalsContact C-N 3.35Å
440	F	93.8	Very high	79.8	Confident	4 Å²	4	71.3 Å²	71.3	2%	0.018	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	4.3	175.7	-54.9	-38.1	0	0	0	113.1	Y233 I235 M412 A436 L442	Y233-F440 HydrophobicContact CD1-CB 3.86Å; Y233-F440 AromaticContact CD1-CD1 3.47Å; Y233-F440 HydrophobicContact CD1-CD1 3.47Å; Y233-F440 VanDerWaalsContact CD1-CD1 3.47Å; Y233-F440 HydrophobicContact CD1-CD2 4.2Å; Y233-F440 AromaticContact CD1-CE1 3.99Å; Y233-F440 HydrophobicContact CD1-CE1 3.99Å; Y233-F440 AromaticContact CD1-CG 3.59Å; Y233-F440 HydrophobicContact CD1-CG 3.59Å; Y233-F440 HydrophobicContact CD2-CB 3.95Å; Y233-F440 HydrophobicContact CD2-CD2 4.27Å; Y233-F440 HydrophobicContact CD2-CG 4.14Å; Y233-F440 HydrophobicContact CE1-CB 3.78Å; Y233-F440 AromaticContact CE1-CD1 3.92Å; Y233-F440 HydrophobicContact CE1-CD1 3.92Å; Y233-F440 HydrophobicContact CE1-CG 4.01Å; Y233-F440 HydrophobicContact CE2-CB 3.84Å; Y233-F440 HydrophobicContact CE2-CG 4.47Å; Y233-F440 HydrophobicContact CG-CB 3.95Å; Y233-F440 AromaticContact CG-CD1 3.98Å; Y233-F440 HydrophobicContact CG-CD1 3.98Å; Y233-F440 AromaticContact CG-CD2 3.84Å; Y233-F440 HydrophobicContact CG-CD2 3.84Å; Y233-F440 HydrophobicContact CG-CE1 4.42Å; Y233-F440 HydrophobicContact CG-CE2 4.29Å; Y233-F440 AromaticContact CG-CG 3.67Å; Y233-F440 HydrophobicContact CG-CG 3.67Å; Y233-F440 PolarHBondContact OH-O 2.77Å; I235-F440 HydrophobicContact CD1-CE2 4.22Å; I235-F440 HydrophobicContact CG1-CE2 3.91Å; I235-F440 HydrophobicContact CG1-CZ 4.43Å; M412-F440 HydrophobicContact CB-CZ 3.86Å; A436-F440 HydrophobicContact CB-CD2 3.85Å; A436-F440 HydrophobicContact CB-CE2 4.04Å; A436-F440 WeakPolarHBondContact O-CA 3.44Å; A436-F440 WeakPolarHBondContact O-CB 3.41Å; A436-F440 PolarHBondContact O-N 2.8Å; F440-L442 HydrophobicContact CB-CD1 4.46Å; F440-L442 HydrophobicContact CB-CD2 3.65Å; F440-L442 HydrophobicContact CB-CG 3.9Å; F440-L442 PolarHBondContact O-N 3.09Å
441	D	90.9	Very high	77.3	Confident	148 Å²	148	79.2 Å²	79.2	79%	0.791	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	53.7	-178.7	-166.6	28.1	0	0	0	112.6	Q437 Y439	Q437-D441 WeakPolarHBondContact O-CA 3.5Å; Q437-D441 PolarHBondContact O-N 2.86Å; Y439-D441 VanDerWaalsContact C-N 3.35Å
442	L	89.1	Confident	76.3	Confident	9 Å²	9	81.6 Å²	81.6	5%	0.047	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-84.5	120.9	-176.4	-48.3	177.7	0	0	0	110.4	I29 F49 F52 Y233 A436 Q437 F440 L444	I29-L442 HydrophobicContact CD1-CD1 3.77Å; F49-L442 HydrophobicContact CD1-CB 4.27Å; F49-L442 HydrophobicContact CE1-CB 3.65Å; F49-L442 HydrophobicContact CE1-CD1 4.4Å; F49-L442 HydrophobicContact CE2-CD1 4.06Å; F49-L442 HydrophobicContact CZ-CB 3.93Å; F49-L442 HydrophobicContact CZ-CD1 4.02Å; F52-L442 HydrophobicContact CE1-CD2 3.78Å; F52-L442 HydrophobicContact CZ-CD2 4.14Å; Y233-L442 HydrophobicContact CD2-CD2 4.01Å; Y233-L442 HydrophobicContact CE2-CD2 3.67Å; A436-L442 HydrophobicContact CB-CD1 4.24Å; Q437-L442 HydrophobicContact CG-CB 4.41Å; Q437-L442 WeakPolarHBondContact CG-O 3.35Å; Q437-L442 PolarHBondContact O-N 3.02Å; F440-L442 HydrophobicContact CB-CD1 4.46Å; F440-L442 HydrophobicContact CB-CD2 3.65Å; F440-L442 HydrophobicContact CB-CG 3.9Å; F440-L442 PolarHBondContact O-N 3.09Å; L442-L444 PolarHBondContact O-N 3.35Å
443	S	78.7	Confident	75.1	Confident	92 Å²	92	85.8 Å²	85.8	64%	0.643	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-71.1	128.7	171.2	63.9	0	0	0	0	111.1	G445	S443-G445 PolarHBondContact O-N 3.29Å
444	L	62.8	Low	73.9	Confident	110 Å²	110	90.6 Å²	90.6	58%	0.576	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-60.4	135.4	174.2	-73	167.5	0	0	0	111.4	F49 L442	F49-L444 HydrophobicContact CE1-CD2 3.99Å; F49-L444 HydrophobicContact CZ-CD2 4.26Å; L442-L444 PolarHBondContact O-N 3.35Å
445	G	55	Low	72.5	Confident	19 Å²	19	91.4 Å²	91.4	20%	0.196	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-89.6	168.5	159.4	0	0	0	0	0	110.7	S443 S447	S443-G445 PolarHBondContact O-N 3.29Å; G445-S447 PolarHBondContact O-N 3.42Å; G445-S447 VanDerWaalsContact O-N 3.11Å
446	E	47.7	Very low	71	Confident	186 Å²	186	92.6 Å²	92.6	87%	0.869	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-57.6	116.9	166.4	-71.6	-179.4	165.5	0	0	109.1	P50	P50-E446 VanDerWaalsContact CG-O 3.28Å; P50-E446 WeakPolarHBondContact CG-O 3.38Å
447	S	49.3	Very low	69.3	Low	97 Å²	97	98.7 Å²	98.7	68%	0.678	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-65.8	141.4	-174.8	59	0	0	0	0	112.3	G445	G445-S447 PolarHBondContact O-N 3.42Å; G445-S447 VanDerWaalsContact O-N 3.11Å
448	R	48.9	Very low	67.5	Low	163 Å²	163	101.9 Å²	101.9	62%	0.615	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-91.3	142.8	166.6	-69.3	-176.4	178.7	177.9	1	110.5	L47 P50	L47-R448 VanDerWaalsContact CD2-O 3.24Å; L47-R448 WeakPolarHBondContact CD2-O 3.38Å; L47-R448 PolarHBondContact O-N 3.38Å; P50-R448 HydrophobicContact CB-CG 4.28Å
449	S	47.9	Very low	65.4	Low	100 Å²	100	97.5 Å²	97.5	70%	0.699	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-88.2	142.7	163	66.4	0	0	0	0	109.7
450	F	47.4	Very low	63.2	Low	65 Å²	65	98 Å²	98	29%	0.285	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-82.8	117.3	155.8	-67.7	-66.9	0	0	0	106.5	R43 L47 N183 S187	R43-F450 HydrophobicContact CG-CE2 3.61Å; R43-F450 HydrophobicContact CG-CZ 3.97Å; L47-F450 HydrophobicContact CD1-CD2 3.45Å; L47-F450 VanDerWaalsContact CD1-CD2 3.45Å; L47-F450 HydrophobicContact CD1-CE2 3.23Å; L47-F450 HydrophobicContact CD1-CZ 4.34Å; L47-F450 HydrophobicContact CD2-CD1 4.22Å; L47-F450 HydrophobicContact CD2-CD2 3.14Å; L47-F450 HydrophobicContact CD2-CE1 4.14Å; L47-F450 HydrophobicContact CD2-CE2 3.11Å; L47-F450 HydrophobicContact CD2-CG 3.76Å; L47-F450 HydrophobicContact CD2-CZ 3.63Å; L47-F450 HydrophobicContact CG-CD2 3.54Å; L47-F450 HydrophobicContact CG-CE2 3.07Å; L47-F450 HydrophobicContact CG-CZ 3.74Å; N183-F450 HydrophobicContact CB-CE1 4.19Å; N183-F450 HydrophobicContact CB-CE2 4.46Å; N183-F450 HydrophobicContact CB-CZ 3.97Å; S187-F450 WeakPolarHBondContact OG-CE1 3.43Å; S187-F450 WeakPolarHBondContact OG-CZ 3.22Å
451	V	46.6	Very low	60.4	Low	183 Å²	183	106.5 Å²	106.5	100%	1.109	59%	0.592	S	S	*	*			trans	-100.6	0	156.2	-178.7	0	0	0	0	106.8

Retrieved 451 of 451 residues in 164.4 ms (Link to these results)

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