A0A077YV88_TRITR Loading...

BTB

AlphaFold DB , UniProt , Accession A0A077YV88, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 517 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	80.1	Confident	62	Low	109 Å²	109	107.5 Å²	107.5	54%	0.537	54%	0.541	S	S	.	.				0	130.6	0	-175.6	167.8	72.9	0	0	107.4	L18 V19 L20 L35 F86 C88	M1-L18 HydrophobicContact CE-CD1 4.36Å; M1-L18 HydrophobicContact CG-CD1 3.57Å; M1-L18 HydrophobicContact CG-CD2 4.39Å; M1-L18 HydrophobicContact CG-CG 3.91Å; M1-L18 HydrophobicContact SD-CD1 3.8Å; M1-L18 HydrophobicContact SD-CD2 3.72Å; M1-L18 HydrophobicContact SD-CG 3.92Å; M1-V19 CarbonylContact C-O 3.5Å; M1-V19 VanDerWaalsContact CA-O 3.25Å; M1-V19 WeakPolarHBondContact CA-O 3.36Å; M1-L20 HydrophobicContact CB-CD1 4.27Å; M1-L35 HydrophobicContact SD-CD2 4.17Å; M1-F86 HydrophobicContact CE-CB 4.01Å; M1-C88 HydrophobicContact SD-CB 4.37Å
2	S	81.4	Confident	60.5	Low	36 Å²	36	110.9 Å²	110.9	25%	0.252	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	152.8	178.6	62.8	0	0	0	0	111	V19 H21	S2-V19 PolarHBondContact N-O 2.89Å; S2-V19 PolarHBondContact O-N 2.87Å; S2-H21 PolarHBondContact OG-CD2 2.85Å; S2-H21 PolarHBondContact OG-NE2 3.32Å
3	F	78.9	Confident	59.5	Low	89 Å²	89	110 Å²	110	39%	0.39	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.9	121.5	179	-171.2	-96.9	0	0	0	109.2	R16 L18 L71 L74 F86	F3-R16 HydrophobicContact CE1-CB 4.37Å; F3-R16 HydrophobicContact CE1-CG 4.32Å; F3-R16 HydrophobicContact CE2-CB 4.43Å; F3-R16 HydrophobicContact CZ-CB 3.96Å; F3-R16 HydrophobicContact CZ-CG 4.19Å; F3-L18 HydrophobicContact CD2-CD1 4.33Å; F3-L71 HydrophobicContact CD2-CD1 4.01Å; F3-L71 HydrophobicContact CE2-CD1 3.37Å; F3-L71 HydrophobicContact CZ-CD1 4.29Å; F3-L74 HydrophobicContact CE2-CD1 3.9Å; F3-L74 HydrophobicContact CZ-CD1 3.6Å; F3-F86 HydrophobicContact CD2-CE2 4.29Å; F3-F86 HydrophobicContact CD2-CZ 4.26Å; F3-F86 HydrophobicContact CE2-CE2 4.21Å; F3-F86 AromaticContact CE2-CZ 3.87Å; F3-F86 HydrophobicContact CE2-CZ 3.87Å
4	E	79.1	Confident	59.1	Low	70 Å²	70	103.7 Å²	103.7	33%	0.327	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	144.6	-173.3	-65.7	175.9	-173.1	0	0	111.1	R16 A17 V19 R68	E4-R16 CarbonylContact O-C 3.58Å; E4-R16 VanDerWaalsContact O-CA 3.3Å; E4-R16 WeakPolarHBondContact O-CA 3.47Å; E4-A17 PolarHBondContact N-O 3.37Å; E4-A17 PolarHBondContact O-N 3Å; E4-V19 HydrophobicContact CG-CG2 4.21Å; E4-R68 IonicContact OE2-NE 2.86Å
5	S	69.3	Low	59	Low	67 Å²	67	109.1 Å²	109.1	47%	0.469	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136.4	169.8	180	0	0	0	0	109.6	A7 S14	S5-A7 VanDerWaalsContact C-N 3.29Å; S5-A7 PolarHBondContact O-N 3.33Å; S5-S14 PolarHBondContact OG-OG 2.88Å
6	A	56.9	Low	60	Low	74 Å²	74	106.5 Å²	106.5	61%	0.612	52%	0.519	S	S	*	.	S	Bend	trans	-75.3	-12	-179.9	0	0	0	0	0	114.4	W15	A6-W15 HydrophobicContact CB-CB 4.45Å; A6-W15 VanDerWaalsContact CB-O 3.29Å; A6-W15 WeakPolarHBondContact CB-O 3.44Å; A6-W15 PolarHBondContact N-O 2.9Å
7	A	52.6	Low	61.2	Low	43 Å²	43	100.4 Å²	100.4	36%	0.355	49%	0.49	S	S	.	.			trans	-126.1	132	-174.2	0	0	0	0	0	112.7	S5 R9	S5-A7 VanDerWaalsContact C-N 3.29Å; S5-A7 PolarHBondContact O-N 3.33Å; A7-R9 PolarHBondContact O-N 3.02Å
8	E	49.7	Very low	62.4	Low	201 Å²	201	95.1 Å²	95.1	94%	0.939	46%	0.464	S	S	*	.	S	Bend	trans	-70.4	-9.2	160.5	-74.9	-175.3	155.2	0	0	112.5
9	R	45.8	Very low	63.4	Low	205 Å²	205	90.1 Å²	90.1	77%	0.774	44%	0.44	S	S	*	.	S	Bend	trans	-103.4	120.8	-177.9	-66.2	-174.4	-165.4	-179.9	4.8	110.5	A7 Y11	A7-R9 PolarHBondContact O-N 3.02Å; R9-Y11 PolarHBondContact O-N 2.65Å
10	D	45.6	Very low	64.4	Low	114 Å²	114	86.2 Å²	86.2	61%	0.61	42%	0.421	S	S	*	.			trans	-54.8	31.2	-171.6	-67.4	-60.8	0	0	0	118.7
11	Y	42.6	Very low	65.2	Low	175 Å²	175	84 Å²	84	69%	0.686	41%	0.41	S	S	*	.			trans	-87	119.5	169.4	-66.8	-80.6	0	0	0	108.7	R9 S13 S14	R9-Y11 PolarHBondContact O-N 2.65Å; Y11-S13 WeakPolarHBondContact CB-OG 3.23Å; Y11-S13 PolarHBondContact O-N 3.1Å; Y11-S14 PolarHBondContact O-N 3.48Å; Y11-S14 PolarHBondContact O-OG 2.85Å
12	W	44	Very low	65.1	Low	148 Å²	148	79.5 Å²	79.5	56%	0.561	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-17.2	170	-76.4	80.5	0	0	0	113.1	S14	W12-S14 VanDerWaalsContact C-N 3.27Å; W12-S14 PolarHBondContact O-N 2.91Å
13	S	47.7	Very low	64.7	Low	99 Å²	99	84 Å²	84	69%	0.692	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	2.5	173.7	68.2	0	0	0	0	115.4	Y11	Y11-S13 WeakPolarHBondContact CB-OG 3.23Å; Y11-S13 PolarHBondContact O-N 3.1Å
14	S	53.6	Low	63.9	Low	22 Å²	22	81.4 Å²	81.4	15%	0.154	41%	0.409	C	S	.	.	S	Bend	trans	-72	129.5	174.7	64	0	0	0	0	110.7	S5 Y11 W12 R16	S5-S14 PolarHBondContact OG-OG 2.88Å; Y11-S14 PolarHBondContact O-N 3.48Å; Y11-S14 PolarHBondContact O-OG 2.85Å; W12-S14 VanDerWaalsContact C-N 3.27Å; W12-S14 PolarHBondContact O-N 2.91Å; S14-R16 PolarHBondContact O-N 3.3Å
15	W	58.4	Low	63.1	Low	185 Å²	185	80 Å²	80	70%	0.701	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-52.9	125.3	173	-57.2	91.9	0	0	0	110.7	A6 I70	A6-W15 HydrophobicContact CB-CB 4.45Å; A6-W15 VanDerWaalsContact CB-O 3.29Å; A6-W15 WeakPolarHBondContact CB-O 3.44Å; A6-W15 PolarHBondContact N-O 2.9Å; W15-I70 HydrophobicContact CB-CG2 4.31Å; W15-I70 HydrophobicContact CD2-CG2 4.3Å; W15-I70 HydrophobicContact CE3-CG2 3.46Å; W15-I70 VanDerWaalsContact CE3-CG2 3.46Å; W15-I70 HydrophobicContact CZ3-CG2 4.14Å
16	R	74.4	Confident	62.7	Low	67 Å²	67	83.2 Å²	83.2	25%	0.253	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	146.2	175.1	-62.3	-179.5	-177	-157.4	5	109.1	F3 E4 S14 L71	F3-R16 HydrophobicContact CE1-CB 4.37Å; F3-R16 HydrophobicContact CE1-CG 4.32Å; F3-R16 HydrophobicContact CE2-CB 4.43Å; F3-R16 HydrophobicContact CZ-CB 3.96Å; F3-R16 HydrophobicContact CZ-CG 4.19Å; E4-R16 CarbonylContact O-C 3.58Å; E4-R16 VanDerWaalsContact O-CA 3.3Å; E4-R16 WeakPolarHBondContact O-CA 3.47Å; S14-R16 PolarHBondContact O-N 3.3Å; R16-L71 HydrophobicContact CB-CD1 4.48Å; R16-L71 PolarHBondContact O-N 3.35Å
17	A	80.4	Confident	63.1	Low	3 Å²	3	88.9 Å²	88.9	3%	0.025	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134.9	179.6	0	0	0	0	0	111.5	E4 V19 R68 V69	E4-A17 PolarHBondContact N-O 3.37Å; E4-A17 PolarHBondContact O-N 3Å; A17-V19 HydrophobicContact CB-CG2 4.46Å; A17-R68 HydrophobicContact CB-CG 4.13Å; A17-V69 CarbonylContact C-O 3.48Å; A17-V69 WeakPolarHBondContact CA-O 3.41Å
18	L	82.6	Confident	63.8	Low	4 Å²	4	89.6 Å²	89.6	2%	0.021	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	124.7	166.8	-166.8	66.6	0	0	0	108.2	M1 F3 L35 R68 V69 L71 F86	M1-L18 HydrophobicContact CE-CD1 4.36Å; M1-L18 HydrophobicContact CG-CD1 3.57Å; M1-L18 HydrophobicContact CG-CD2 4.39Å; M1-L18 HydrophobicContact CG-CG 3.91Å; M1-L18 HydrophobicContact SD-CD1 3.8Å; M1-L18 HydrophobicContact SD-CD2 3.72Å; M1-L18 HydrophobicContact SD-CG 3.92Å; F3-L18 HydrophobicContact CD2-CD1 4.33Å; L18-L35 HydrophobicContact CD2-CD1 4.24Å; L18-L35 HydrophobicContact CD2-CD2 4.12Å; L18-R68 CarbonylContact O-C 3.57Å; L18-R68 WeakPolarHBondContact O-CA 3.45Å; L18-V69 PolarHBondContact N-O 2.84Å; L18-V69 PolarHBondContact O-N 3.45Å; L18-L71 HydrophobicContact CB-CD1 4.22Å; L18-L71 HydrophobicContact CB-CD2 4.13Å; L18-L71 HydrophobicContact CB-CG 4.33Å; L18-F86 HydrophobicContact CD2-CB 4.37Å; L18-F86 HydrophobicContact CD2-CD1 3.84Å; L18-F86 HydrophobicContact CD2-CE1 4.33Å; L18-F86 HydrophobicContact CD2-CG 4.15Å
19	V	82.1	Confident	64.8	Low	0 Å²	0	83.8 Å²	83.8	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.7	-176.9	-169.4	0	0	0	0	109.7	M1 S2 E4 A17 H21 Q65 A67 R68	M1-V19 CarbonylContact C-O 3.5Å; M1-V19 VanDerWaalsContact CA-O 3.25Å; M1-V19 WeakPolarHBondContact CA-O 3.36Å; S2-V19 PolarHBondContact N-O 2.89Å; S2-V19 PolarHBondContact O-N 2.87Å; E4-V19 HydrophobicContact CG-CG2 4.21Å; A17-V19 HydrophobicContact CB-CG2 4.46Å; V19-H21 WeakPolarHBondContact CG1-CE1 3.45Å; V19-H21 WeakPolarHBondContact CG1-NE2 3.43Å; V19-Q65 HydrophobicContact CG1-CB 4.25Å; V19-Q65 HydrophobicContact CG1-CG 3.51Å; V19-A67 WeakPolarHBondContact CA-O 3.47Å; V19-A67 WeakPolarHBondContact CG1-O 3.41Å; V19-R68 HydrophobicContact CG2-CB 4.33Å; V19-R68 HydrophobicContact CG2-CG 3.98Å
20	L	82.8	Confident	66.2	Low	13 Å²	13	76.6 Å²	76.6	7%	0.068	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	127	174.4	-170.8	66.2	0	0	0	108.8	M1 V33 I66 A67 I90	M1-L20 HydrophobicContact CB-CD1 4.27Å; L20-V33 HydrophobicContact CD2-CG1 3.65Å; L20-V33 HydrophobicContact CD2-CG2 4.06Å; L20-I66 HydrophobicContact CB-CG1 4.11Å; L20-I66 HydrophobicContact CD2-CD1 3.71Å; L20-I66 HydrophobicContact CD2-CG1 4.06Å; L20-I66 HydrophobicContact CG-CD1 3.88Å; L20-I66 HydrophobicContact CG-CG1 3.89Å; L20-I66 VanDerWaalsContact O-CG1 3.23Å; L20-I66 WeakPolarHBondContact O-CG1 3.44Å; L20-I66 PolarHBondContact O-N 3.35Å; L20-A67 HydrophobicContact CB-CB 4.02Å; L20-A67 PolarHBondContact N-O 2.87Å; L20-A67 PolarHBondContact O-N 3.31Å; L20-I90 HydrophobicContact CD2-CD1 4.25Å
21	H	82	Confident	67.7	Low	40 Å²	40	71.3 Å²	71.3	19%	0.185	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138.4	-179.8	-58	-77	0	0	0	110.1	S2 V19 D63 T64 Q65	S2-H21 PolarHBondContact OG-CD2 2.85Å; S2-H21 PolarHBondContact OG-NE2 3.32Å; V19-H21 WeakPolarHBondContact CG1-CE1 3.45Å; V19-H21 WeakPolarHBondContact CG1-NE2 3.43Å; H21-D63 VanDerWaalsContact CB-OD1 3.28Å; H21-D63 WeakPolarHBondContact CB-OD1 3.42Å; H21-D63 IonicContact CG-OD1 3.48Å; H21-T64 CarbonylContact C-O 3.58Å; H21-T64 WeakPolarHBondContact CA-O 3.09Å; H21-Q65 WeakPolarHBondContact ND1-CA 3.49Å
22	S	77.7	Confident	69.5	Low	15 Å²	15	65.1 Å²	65.1	11%	0.105	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	118.1	164.6	175	0	0	0	0	107.9	G24 T60 D63 T64	S22-G24 PolarHBondContact O-N 2.89Å; S22-G24 VanDerWaalsContact O-N 3.13Å; S22-T60 WeakPolarHBondContact CB-OG1 3.23Å; S22-T60 PolarHBondContact OG-OG1 2.98Å; S22-D63 CarbonylContact O-C 3.57Å; S22-D63 WeakPolarHBondContact O-CA 3.35Å; S22-D63 PolarHBondContact O-N 2.89Å; S22-D63 VanDerWaalsContact O-N 3.17Å; S22-T64 PolarHBondContact N-O 2.87Å; S22-T64 PolarHBondContact O-N 3.24Å
23	L	73.5	Confident	71.2	Confident	129 Å²	129	58 Å²	58	68%	0.675	31%	0.309	S	S	*	.			trans	-79.8	16.7	179.5	-61.5	-179.5	0	0	0	113.3	D63	L23-D63 HydrophobicContact CD2-CB 4.48Å; L23-D63 WeakPolarHBondContact CD2-OD1 3.35Å
24	G	61.5	Low	72.8	Confident	36 Å²	36	55.6 Å²	55.6	37%	0.371	29%	0.287	S	S	.	.			trans	91.2	159.8	178.6	0	0	0	0	0	114	S22	S22-G24 PolarHBondContact O-N 2.89Å; S22-G24 VanDerWaalsContact O-N 3.13Å
25	G	62.9	Low	74.1	Confident	40 Å²	40	54.6 Å²	54.6	41%	0.412	28%	0.279	S	S	.	.			trans	166	146.9	179.7	0	0	0	0	0	111.2	Y27 N59	G25-Y27 PolarHBondContact O-N 3.26Å; G25-Y27 VanDerWaalsContact O-N 3.14Å; G25-N59 PolarHBondContact O-OD1 3.04Å; G25-N59 VanDerWaalsContact O-OD1 3.1Å
26	N	60.6	Low	75.3	Confident	135 Å²	135	46 Å²	46	72%	0.722	25%	0.247	S	C	*	.	S	Bend	trans	-73.9	-1.9	-173.7	-67.9	-21.2	0	0	0	114.5
27	Y	63.7	Low	75.7	Confident	192 Å²	192	42.8 Å²	42.8	75%	0.753	24%	0.235	S	C	*	.			trans	-119.9	128	-170.9	-58.9	-74.5	0	0	0	110.8	G25	G25-Y27 PolarHBondContact O-N 3.26Å; G25-Y27 VanDerWaalsContact O-N 3.14Å
28	S	68.7	Low	75.7	Confident	59 Å²	59	43.7 Å²	43.7	41%	0.413	24%	0.24	S	C	.	.			trans	-73.5	138.3	165.7	-58.7	0	0	0	0	110	V57 N58 N59	S28-V57 CarbonylContact C-O 3.05Å; S28-V57 WeakPolarHBondContact CA-O 3.46Å; S28-V57 WeakPolarHBondContact CB-O 3.24Å; S28-N58 WeakPolarHBondContact CB-OD1 3.36Å; S28-N58 WeakPolarHBondContact OG-CA 3.41Å; S28-N58 PolarHBondContact OG-OD1 3.28Å; S28-N59 PolarHBondContact OG-N 3.33Å
29	F	70.1	Confident	75.4	Confident	78 Å²	78	46.4 Å²	46.4	34%	0.342	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	149.8	175.6	63.9	-86	0	0	0	111.6	C31 V57 T92	F29-C31 HydrophobicContact CD2-CB 3.94Å; F29-C31 HydrophobicContact CE2-CB 3.9Å; F29-V57 HydrophobicContact CD1-CB 4.3Å; F29-V57 HydrophobicContact CE1-CB 3.92Å; F29-V57 HydrophobicContact CE1-CG1 4.07Å; F29-V57 HydrophobicContact CE1-CG2 4.38Å; F29-V57 HydrophobicContact CE2-CB 4.37Å; F29-V57 HydrophobicContact CE2-CG2 4.08Å; F29-V57 HydrophobicContact CZ-CB 3.96Å; F29-V57 HydrophobicContact CZ-CG1 4.29Å; F29-V57 HydrophobicContact CZ-CG2 3.89Å; F29-V57 PolarHBondContact N-O 3.46Å; F29-V57 PolarHBondContact O-N 3.2Å; F29-T92 HydrophobicContact CD2-CG2 4.16Å; F29-T92 HydrophobicContact CE2-CG2 4.34Å
30	S	76.3	Confident	74.6	Confident	55 Å²	55	49.5 Å²	49.5	39%	0.385	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	130.3	168.9	-63.5	0	0	0	0	109.1	H56 F93	S30-H56 PolarHBondContact OG-ND1 3.29Å; S30-F93 PolarHBondContact O-N 2.94Å; S30-F93 VanDerWaalsContact O-N 3.13Å
31	C	76.5	Confident	73.7	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.014	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	157	175	63.7	0	0	0	0	111.3	F29 F54 I55 I90 T91 T92	F29-C31 HydrophobicContact CD2-CB 3.94Å; F29-C31 HydrophobicContact CE2-CB 3.9Å; C31-F54 WeakPolarHBondContact O-CA 3.38Å; C31-I55 PolarHBondContact N-O 3Å; C31-I55 PolarHBondContact O-N 3.22Å; C31-I90 HydrophobicContact CB-CG2 3.95Å; C31-T91 CarbonylContact C-O 3.57Å; C31-T91 WeakPolarHBondContact CA-O 3.44Å; C31-T91 WeakPolarHBondContact CB-O 3.29Å; C31-T92 HydrophobicContact CB-CG2 4.26Å
32	K	79.8	Confident	72.4	Confident	45 Å²	45	55.4 Å²	55.4	20%	0.196	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.8	162.7	179.9	-171.1	176.2	-174.8	0	107.1	E52 F54 I90 T91 F93	K32-E52 VanDerWaalsContact CE-CD 3.44Å; K32-E52 VanDerWaalsContact CE-CG 3.41Å; K32-E52 WeakPolarHBondContact CE-OE1 3.41Å; K32-E52 IonicContact NZ-OE1 3.93Å; K32-E52 PolarHBondContact NZ-OE1 3.45Å; K32-F54 HydrophobicContact CB-CD1 4.02Å; K32-F54 HydrophobicContact CB-CE1 3.89Å; K32-F54 HydrophobicContact CB-CZ 4.36Å; K32-F54 HydrophobicContact CD-CE1 4.34Å; K32-F54 HydrophobicContact CD-CZ 4.02Å; K32-F54 HydrophobicContact CG-CD1 4.48Å; K32-F54 HydrophobicContact CG-CE1 4.21Å; K32-F54 HydrophobicContact CG-CE2 4.44Å; K32-F54 HydrophobicContact CG-CZ 4.17Å; K32-I90 WeakPolarHBondContact O-CA 3.48Å; K32-T91 PolarHBondContact N-O 2.9Å; K32-T91 PolarHBondContact O-N 2.95Å; K32-F93 HydrophobicContact CB-CE2 3.8Å; K32-F93 HydrophobicContact CB-CZ 3.81Å
33	V	79.6	Confident	71.3	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.8	173.6	177.4	0	0	0	0	108	L20 L35 E52 K53 I55 I90	L20-V33 HydrophobicContact CD2-CG1 3.65Å; L20-V33 HydrophobicContact CD2-CG2 4.06Å; V33-L35 HydrophobicContact CG1-CG 4.17Å; V33-E52 WeakPolarHBondContact O-CA 3.49Å; V33-K53 PolarHBondContact N-O 3.33Å; V33-K53 PolarHBondContact O-N 3.23Å; V33-I55 HydrophobicContact CB-CD1 4.09Å; V33-I55 HydrophobicContact CG2-CD1 3.86Å; V33-I90 HydrophobicContact CG2-CG1 4.4Å; V33-I90 HydrophobicContact CG2-CG2 4.48Å
34	Q	82.1	Confident	70.5	Confident	48 Å²	48	55.9 Å²	55.9	22%	0.224	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.1	171.4	-172.3	177.8	-32	0	0	108.7	D36 L51 C88 T89	Q34-D36 WeakPolarHBondContact CG-OD2 3.33Å; Q34-D36 PolarHBondContact NE2-OD1 3.44Å; Q34-D36 PolarHBondContact NE2-OD2 3.33Å; Q34-L51 CarbonylContact C-O 3.54Å; Q34-L51 VanDerWaalsContact CA-O 3.31Å; Q34-L51 WeakPolarHBondContact CA-O 3.46Å; Q34-C88 WeakPolarHBondContact O-CA 3.14Å; Q34-T89 PolarHBondContact N-O 3Å; Q34-T89 PolarHBondContact O-N 2.94Å
35	L	81.5	Confident	70.6	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	114.5	176.9	-68.1	170.3	0	0	0	108.8	M1 L18 V33 T50 L51 V69 C88	M1-L35 HydrophobicContact SD-CD2 4.17Å; L18-L35 HydrophobicContact CD2-CD1 4.24Å; L18-L35 HydrophobicContact CD2-CD2 4.12Å; V33-L35 HydrophobicContact CG1-CG 4.17Å; L35-T50 PolarHBondContact O-N 3.14Å; L35-T50 PolarHBondContact O-OG1 3.09Å; L35-L51 HydrophobicContact CB-CB 4.27Å; L35-L51 HydrophobicContact CD1-CD2 4.02Å; L35-L51 PolarHBondContact N-O 3.06Å; L35-L51 PolarHBondContact O-N 2.95Å; L35-V69 HydrophobicContact CD1-CG2 3.68Å; L35-C88 HydrophobicContact CD2-CB 3.56Å; L35-C88 WeakPolarHBondContact CD2-SG 3.43Å
36	D	83.2	Confident	71	Confident	3 Å²	3	64.7 Å²	64.7	2%	0.016	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	141.9	-179.5	-56.6	-59.4	0	0	0	110.1	Q34 L47 N48 N49 F86 L87	Q34-D36 WeakPolarHBondContact CG-OD2 3.33Å; Q34-D36 PolarHBondContact NE2-OD1 3.44Å; Q34-D36 PolarHBondContact NE2-OD2 3.33Å; D36-L47 HydrophobicContact CB-CB 3.96Å; D36-L47 HydrophobicContact CB-CD2 4.01Å; D36-L47 HydrophobicContact CB-CG 4.39Å; D36-N48 VanDerWaalsContact CA-O 3.32Å; D36-N48 WeakPolarHBondContact CA-O 3.49Å; D36-N49 WeakPolarHBondContact OD1-CA 3.46Å; D36-N49 WeakPolarHBondContact OD1-CB 3.36Å; D36-F86 WeakPolarHBondContact O-CA 3.41Å; D36-L87 HydrophobicContact CB-CB 4.38Å; D36-L87 PolarHBondContact N-O 3.21Å; D36-L87 PolarHBondContact O-N 2.83Å
37	I	82.9	Confident	71.7	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	124.3	162.7	-53.1	172.9	0	0	0	107	N48 T50 L71 P72 L74 Y77 L84 F86	I37-N48 HydrophobicContact CB-CB 4.49Å; I37-N48 PolarHBondContact N-O 2.98Å; I37-N48 PolarHBondContact O-N 2.86Å; I37-T50 HydrophobicContact CD1-CG2 3.61Å; I37-T50 HydrophobicContact CG1-CG2 3.66Å; I37-L71 HydrophobicContact CD1-CD2 4.22Å; I37-P72 HydrophobicContact CD1-CG 4.08Å; I37-L74 HydrophobicContact CD1-CD2 3.95Å; I37-Y77 HydrophobicContact CB-CD1 3.89Å; I37-Y77 HydrophobicContact CB-CE1 4.32Å; I37-Y77 HydrophobicContact CD1-CD1 4.3Å; I37-Y77 HydrophobicContact CD1-CE1 4.39Å; I37-Y77 HydrophobicContact CD1-CG 4.41Å; I37-Y77 HydrophobicContact CG2-CD1 3.39Å; I37-Y77 HydrophobicContact CG2-CE1 4.28Å; I37-Y77 HydrophobicContact CG2-CG 3.67Å; I37-L84 HydrophobicContact CG2-CD1 4Å; I37-F86 HydrophobicContact CD1-CE1 4.3Å; I37-F86 HydrophobicContact CG1-CD1 3.95Å; I37-F86 HydrophobicContact CG1-CE1 3.81Å
38	V	79.7	Confident	72.4	Confident	23 Å²	23	55.7 Å²	55.7	14%	0.139	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	125.1	174.1	-171.9	0	0	0	0	107.7	L47 T85 L87	V38-L47 HydrophobicContact CB-CD2 4.4Å; V38-L47 HydrophobicContact CG2-CD2 3.74Å; V38-T85 HydrophobicContact CB-CG2 3.93Å; V38-T85 HydrophobicContact CG2-CG2 3.78Å; V38-T85 PolarHBondContact N-O 2.84Å; V38-L87 HydrophobicContact CG2-CB 3.91Å
39	Y	76.4	Confident	72.7	Confident	60 Å²	60	56.1 Å²	56.1	24%	0.235	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	156.7	173.6	66.8	-74.5	0	0	0	110.2	R46 N48 Y77	Y39-R46 HydrophobicContact CD1-CB 4.31Å; Y39-R46 WeakPolarHBondContact CD1-O 3.33Å; Y39-R46 HydrophobicContact CE1-CB 3.66Å; Y39-R46 HydrophobicContact CE2-CB 3.98Å; Y39-R46 VanDerWaalsContact CZ-CB 3.48Å; Y39-R46 PolarHBondContact N-O 3.48Å; Y39-R46 PolarHBondContact O-N 2.89Å; Y39-N48 HydrophobicContact CD1-CB 4.07Å; Y39-N48 HydrophobicContact CE1-CB 3.68Å; Y39-Y77 AromaticContact CD1-CD1 3.96Å; Y39-Y77 HydrophobicContact CD1-CD1 3.96Å; Y39-Y77 AromaticContact CD1-CE1 3.97Å; Y39-Y77 HydrophobicContact CD1-CE1 3.97Å; Y39-Y77 HydrophobicContact CE1-CE1 4.47Å; Y39-Y77 AromaticContact CG-CD1 3.99Å; Y39-Y77 HydrophobicContact CG-CD1 3.99Å; Y39-Y77 HydrophobicContact CG-CE1 4.26Å
40	T	65	Low	72.9	Confident	66 Å²	66	54.1 Å²	54.1	41%	0.405	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.9	174.8	43.2	0	0	0	0	108.6	E45	T40-E45 HydrophobicContact CG2-CG 4.27Å
41	S	64	Low	72.9	Confident	25 Å²	25	53.2 Å²	53.2	18%	0.175	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	177.3	169.9	81.4	0	0	0	0	110	E43 G44 R46	S41-E43 PolarHBondContact O-N 3.18Å; S41-E43 PolarHBondContact OG-N 2.78Å; S41-G44 PolarHBondContact N-O 2.93Å; S41-G44 PolarHBondContact O-N 2.9Å; S41-G44 PolarHBondContact OG-O 2.79Å; S41-R46 WeakPolarHBondContact OG-CD 3.49Å
42	H	55.1	Low	73	Confident	152 Å²	152	57.7 Å²	57.7	70%	0.704	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-4.9	171.8	-61.5	-72.8	0	0	0	115	D127 T130	H42-D127 VanDerWaalsContact C-OD2 3.27Å; H42-T130 WeakPolarHBondContact ND1-CG2 3.43Å
43	E	54.2	Low	72.9	Confident	146 Å²	146	61.4 Å²	61.4	68%	0.682	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	14.2	177.3	-65.5	-176.9	-142.4	0	0	111.9	S41 R46	S41-E43 PolarHBondContact O-N 3.18Å; S41-E43 PolarHBondContact OG-N 2.78Å; E43-R46 IonicContact OE1-CZ 3.85Å; E43-R46 IonicContact OE1-NH2 3.13Å; E43-R46 PolarHBondContact OE1-NH2 3.49Å; E43-R46 IonicContact OE2-CZ 3.33Å; E43-R46 IonicContact OE2-NE 3.66Å; E43-R46 IonicContact OE2-NH2 3.53Å; E43-R46 PolarHBondContact OE2-NH2 3.42Å
44	G	56.2	Low	72.7	Confident	8 Å²	8	68 Å²	68	8%	0.082	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	96.9	-162.7	-176.8	0	0	0	0	0	114.5	S41 R46	S41-G44 PolarHBondContact N-O 2.93Å; S41-G44 PolarHBondContact O-N 2.9Å; S41-G44 PolarHBondContact OG-O 2.79Å; G44-R46 PolarHBondContact O-N 3.37Å
45	E	63.3	Low	72.4	Confident	160 Å²	160	66.7 Å²	66.7	75%	0.748	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	120.4	177.1	-74.4	-174.2	134.7	0	0	110.4	T40	T40-E45 HydrophobicContact CG2-CG 4.27Å
46	R	71.8	Confident	72	Confident	101 Å²	101	71.7 Å²	71.7	38%	0.381	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	152.5	173.8	-75.1	-167.1	166.4	-176.3	-7.4	110.4	Y39 S41 E43 G44	Y39-R46 HydrophobicContact CD1-CB 4.31Å; Y39-R46 WeakPolarHBondContact CD1-O 3.33Å; Y39-R46 HydrophobicContact CE1-CB 3.66Å; Y39-R46 HydrophobicContact CE2-CB 3.98Å; Y39-R46 VanDerWaalsContact CZ-CB 3.48Å; Y39-R46 PolarHBondContact N-O 3.48Å; Y39-R46 PolarHBondContact O-N 2.89Å; S41-R46 WeakPolarHBondContact OG-CD 3.49Å; E43-R46 IonicContact OE1-CZ 3.85Å; E43-R46 IonicContact OE1-NH2 3.13Å; E43-R46 PolarHBondContact OE1-NH2 3.49Å; E43-R46 IonicContact OE2-CZ 3.33Å; E43-R46 IonicContact OE2-NE 3.66Å; E43-R46 IonicContact OE2-NH2 3.53Å; E43-R46 PolarHBondContact OE2-NH2 3.42Å; G44-R46 PolarHBondContact O-N 3.37Å
47	L	76.2	Confident	71.3	Confident	88 Å²	88	71.8 Å²	71.8	46%	0.461	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	121.8	173.8	-62.1	179.2	0	0	0	108	D36 V38 L87	D36-L47 HydrophobicContact CB-CB 3.96Å; D36-L47 HydrophobicContact CB-CD2 4.01Å; D36-L47 HydrophobicContact CB-CG 4.39Å; V38-L47 HydrophobicContact CB-CD2 4.4Å; V38-L47 HydrophobicContact CG2-CD2 3.74Å; L47-L87 HydrophobicContact CD1-CD2 4.12Å; L47-L87 HydrophobicContact CD2-CD2 3.97Å
48	N	78.1	Confident	70.6	Confident	49 Å²	49	76.5 Å²	76.5	26%	0.262	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	107.1	165.8	-173.2	15.6	0	0	0	108.1	D36 I37 Y39 T50 Y77	D36-N48 VanDerWaalsContact CA-O 3.32Å; D36-N48 WeakPolarHBondContact CA-O 3.49Å; I37-N48 HydrophobicContact CB-CB 4.49Å; I37-N48 PolarHBondContact N-O 2.98Å; I37-N48 PolarHBondContact O-N 2.86Å; Y39-N48 HydrophobicContact CD1-CB 4.07Å; Y39-N48 HydrophobicContact CE1-CB 3.68Å; N48-T50 PolarHBondContact O-N 2.8Å; N48-Y77 HydrophobicContact CB-CE1 3.82Å; N48-Y77 PolarHBondContact ND2-OH 2.82Å
49	N	75.1	Confident	69.7	Low	69 Å²	69	80.3 Å²	80.3	37%	0.369	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	102.5	177.9	-175.2	-8.3	0	0	0	109.8	D36 L51 E52	D36-N49 WeakPolarHBondContact OD1-CA 3.46Å; D36-N49 WeakPolarHBondContact OD1-CB 3.36Å; N49-L51 PolarHBondContact OD1-N 3.16Å; N49-L51 PolarHBondContact OD1-O 3.28Å; N49-E52 PolarHBondContact ND2-OE2 2.87Å; N49-E52 VanDerWaalsContact ND2-OE2 3.12Å
50	T	73.1	Confident	69	Low	35 Å²	35	78.6 Å²	78.6	22%	0.215	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-26	178.7	59.3	0	0	0	0	112.3	L35 I37 N48	L35-T50 PolarHBondContact O-N 3.14Å; L35-T50 PolarHBondContact O-OG1 3.09Å; I37-T50 HydrophobicContact CD1-CG2 3.61Å; I37-T50 HydrophobicContact CG1-CG2 3.66Å; N48-T50 PolarHBondContact O-N 2.8Å
51	L	76	Confident	68.9	Low	37 Å²	37	77.8 Å²	77.8	19%	0.194	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	132.6	175.4	-179.7	81.8	0	0	0	110.8	Q34 L35 N49 K53 A67 V69	Q34-L51 CarbonylContact C-O 3.54Å; Q34-L51 VanDerWaalsContact CA-O 3.31Å; Q34-L51 WeakPolarHBondContact CA-O 3.46Å; L35-L51 HydrophobicContact CB-CB 4.27Å; L35-L51 HydrophobicContact CD1-CD2 4.02Å; L35-L51 PolarHBondContact N-O 3.06Å; L35-L51 PolarHBondContact O-N 2.95Å; N49-L51 PolarHBondContact OD1-N 3.16Å; N49-L51 PolarHBondContact OD1-O 3.28Å; L51-K53 HydrophobicContact CD1-CB 4.32Å; L51-K53 HydrophobicContact CG-CB 4.36Å; L51-A67 HydrophobicContact CD2-CB 4.01Å; L51-V69 HydrophobicContact CB-CB 4.44Å; L51-V69 HydrophobicContact CB-CG1 4.24Å; L51-V69 HydrophobicContact CB-CG2 3.33Å; L51-V69 HydrophobicContact CD1-CG2 4.13Å; L51-V69 HydrophobicContact CD2-CG2 3.44Å; L51-V69 VanDerWaalsContact CD2-CG2 3.44Å; L51-V69 HydrophobicContact CG-CG2 3.78Å
52	E	80.3	Confident	69.1	Low	96 Å²	96	83.7 Å²	83.7	45%	0.449	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	117.2	163.5	-173.7	179.4	164.7	0	0	108.7	K32 V33 N49	K32-E52 VanDerWaalsContact CE-CD 3.44Å; K32-E52 VanDerWaalsContact CE-CG 3.41Å; K32-E52 WeakPolarHBondContact CE-OE1 3.41Å; K32-E52 IonicContact NZ-OE1 3.93Å; K32-E52 PolarHBondContact NZ-OE1 3.45Å; V33-E52 WeakPolarHBondContact O-CA 3.49Å; N49-E52 PolarHBondContact ND2-OE2 2.87Å; N49-E52 VanDerWaalsContact ND2-OE2 3.12Å
53	K	77.2	Confident	69.8	Low	122 Å²	122	81.2 Å²	81.2	53%	0.53	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	140.8	-176.8	-170.5	172.5	179.9	-177.4	0	112.4	V33 L51 I55	V33-K53 PolarHBondContact N-O 3.33Å; V33-K53 PolarHBondContact O-N 3.23Å; L51-K53 HydrophobicContact CD1-CB 4.32Å; L51-K53 HydrophobicContact CG-CB 4.36Å; K53-I55 HydrophobicContact CB-CG1 4.44Å; K53-I55 HydrophobicContact CD-CG1 4.43Å; K53-I55 HydrophobicContact CG-CG1 4.14Å
54	F	75.8	Confident	70.8	Confident	138 Å²	138	76.7 Å²	76.7	61%	0.605	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	126.8	167.4	-67.8	-95.5	0	0	0	109.6	C31 K32 F93	C31-F54 WeakPolarHBondContact O-CA 3.38Å; K32-F54 HydrophobicContact CB-CD1 4.02Å; K32-F54 HydrophobicContact CB-CE1 3.89Å; K32-F54 HydrophobicContact CB-CZ 4.36Å; K32-F54 HydrophobicContact CD-CE1 4.34Å; K32-F54 HydrophobicContact CD-CZ 4.02Å; K32-F54 HydrophobicContact CG-CD1 4.48Å; K32-F54 HydrophobicContact CG-CE1 4.21Å; K32-F54 HydrophobicContact CG-CE2 4.44Å; K32-F54 HydrophobicContact CG-CZ 4.17Å; F54-F93 AromaticContact CD1-CE2 3.73Å; F54-F93 HydrophobicContact CD1-CE2 3.73Å; F54-F93 HydrophobicContact CD1-CZ 4.18Å; F54-F93 AromaticContact CE1-CE2 3.59Å; F54-F93 HydrophobicContact CE1-CE2 3.59Å; F54-F93 AromaticContact CE1-CZ 3.54Å; F54-F93 HydrophobicContact CE1-CZ 3.54Å
55	I	74.5	Confident	72	Confident	21 Å²	21	81.1 Å²	81.1	11%	0.108	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	128.6	-176	-54.2	172	0	0	0	108	C31 V33 K53 V57 I66 A67	C31-I55 PolarHBondContact N-O 3Å; C31-I55 PolarHBondContact O-N 3.22Å; V33-I55 HydrophobicContact CB-CD1 4.09Å; V33-I55 HydrophobicContact CG2-CD1 3.86Å; K53-I55 HydrophobicContact CB-CG1 4.44Å; K53-I55 HydrophobicContact CD-CG1 4.43Å; K53-I55 HydrophobicContact CG-CG1 4.14Å; I55-V57 HydrophobicContact CG2-CG2 4.01Å; I55-I66 HydrophobicContact CG2-CB 4.42Å; I55-A67 HydrophobicContact CD1-CB 3.87Å
56	H	73.7	Confident	72.6	Confident	106 Å²	106	75.3 Å²	75.3	49%	0.491	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	111.3	167	-167.2	68.8	0	0	0	108.2	S30 N58	S30-H56 PolarHBondContact OG-ND1 3.29Å; H56-N58 PolarHBondContact CD2-OD1 3.33Å; H56-N58 VanDerWaalsContact CD2-OD1 3.29Å; H56-N58 PolarHBondContact NE2-OD1 2.7Å; H56-N58 VanDerWaalsContact NE2-OD1 3.11Å
57	V	68.8	Low	72.8	Confident	5 Å²	5	70.9 Å²	70.9	3%	0.03	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	113.4	179.3	-176.2	0	0	0	0	106.8	S28 F29 I55 T60 I66	S28-V57 CarbonylContact C-O 3.05Å; S28-V57 WeakPolarHBondContact CA-O 3.46Å; S28-V57 WeakPolarHBondContact CB-O 3.24Å; F29-V57 HydrophobicContact CD1-CB 4.3Å; F29-V57 HydrophobicContact CE1-CB 3.92Å; F29-V57 HydrophobicContact CE1-CG1 4.07Å; F29-V57 HydrophobicContact CE1-CG2 4.38Å; F29-V57 HydrophobicContact CE2-CB 4.37Å; F29-V57 HydrophobicContact CE2-CG2 4.08Å; F29-V57 HydrophobicContact CZ-CB 3.96Å; F29-V57 HydrophobicContact CZ-CG1 4.29Å; F29-V57 HydrophobicContact CZ-CG2 3.89Å; F29-V57 PolarHBondContact N-O 3.46Å; F29-V57 PolarHBondContact O-N 3.2Å; I55-V57 HydrophobicContact CG2-CG2 4.01Å; V57-T60 HydrophobicContact CG1-CG2 3.8Å; V57-I66 HydrophobicContact CG1-CG2 4.21Å; V57-I66 HydrophobicContact CG2-CD1 4.32Å; V57-I66 HydrophobicContact CG2-CG2 4.02Å
58	N	67.1	Low	73.1	Confident	99 Å²	99	72.4 Å²	72.4	53%	0.529	37%	0.367	S	S	.	.			trans	-101.3	120.2	-179.4	-95.9	-24.5	0	0	0	110.5	S28 H56 T60	S28-N58 WeakPolarHBondContact CB-OD1 3.36Å; S28-N58 WeakPolarHBondContact OG-CA 3.41Å; S28-N58 PolarHBondContact OG-OD1 3.28Å; H56-N58 PolarHBondContact CD2-OD1 3.33Å; H56-N58 VanDerWaalsContact CD2-OD1 3.29Å; H56-N58 PolarHBondContact NE2-OD1 2.7Å; H56-N58 VanDerWaalsContact NE2-OD1 3.11Å; N58-T60 VanDerWaalsContact O-CA 3.31Å; N58-T60 WeakPolarHBondContact O-CA 3Å; N58-T60 WeakPolarHBondContact O-CG2 3.46Å; N58-T60 PolarHBondContact O-N 3.13Å
59	N	62.3	Low	73.2	Confident	103 Å²	103	70.4 Å²	70.4	55%	0.551	36%	0.357	S	S	*	.	S	Bend	trans	3.8	71.7	177	-169.5	8.4	0	0	0	113	G25 S28	G25-N59 PolarHBondContact O-OD1 3.04Å; G25-N59 VanDerWaalsContact O-OD1 3.1Å; S28-N59 PolarHBondContact OG-N 3.33Å
60	T	61	Low	73.5	Confident	25 Å²	25	71.8 Å²	71.8	15%	0.153	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-85	145.6	-168.2	54.6	0	0	0	0	108.5	S22 V57 N58 T64	S22-T60 WeakPolarHBondContact CB-OG1 3.23Å; S22-T60 PolarHBondContact OG-OG1 2.98Å; V57-T60 HydrophobicContact CG1-CG2 3.8Å; N58-T60 VanDerWaalsContact O-CA 3.31Å; N58-T60 WeakPolarHBondContact O-CA 3Å; N58-T60 WeakPolarHBondContact O-CG2 3.46Å; N58-T60 PolarHBondContact O-N 3.13Å; T60-T64 WeakPolarHBondContact CB-OG1 3.48Å; T60-T64 HydrophobicContact CG2-CG2 3.83Å
61	G	63.1	Low	73.8	Confident	49 Å²	49	70.3 Å²	70.3	51%	0.505	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-56.4	167.6	166.1	0	0	0	0	0	111.7	D63 T64	G61-D63 PolarHBondContact O-N 2.83Å; G61-T64 PolarHBondContact O-OG1 3.37Å
62	E	67.9	Low	73.9	Confident	149 Å²	149	70.7 Å²	70.7	70%	0.696	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	137.7	173.7	-70	-173.7	167.7	0	0	110.7	T64	E62-T64 PolarHBondContact O-N 2.84Å
63	D	70.1	Confident	73.8	Confident	100 Å²	100	70.8 Å²	70.8	54%	0.535	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	44.7	174.9	-145.1	19.4	0	0	0	115	H21 S22 L23 G61	H21-D63 VanDerWaalsContact CB-OD1 3.28Å; H21-D63 WeakPolarHBondContact CB-OD1 3.42Å; H21-D63 IonicContact CG-OD1 3.48Å; S22-D63 CarbonylContact O-C 3.57Å; S22-D63 WeakPolarHBondContact O-CA 3.35Å; S22-D63 PolarHBondContact O-N 2.89Å; S22-D63 VanDerWaalsContact O-N 3.17Å; L23-D63 HydrophobicContact CD2-CB 4.48Å; L23-D63 WeakPolarHBondContact CD2-OD1 3.35Å; G61-D63 PolarHBondContact O-N 2.83Å
64	T	76.1	Confident	73.9	Confident	50 Å²	50	65.4 Å²	65.4	31%	0.307	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	123.3	177	-60.1	0	0	0	0	111	H21 S22 T60 G61 E62 I66	H21-T64 CarbonylContact C-O 3.58Å; H21-T64 WeakPolarHBondContact CA-O 3.09Å; S22-T64 PolarHBondContact N-O 2.87Å; S22-T64 PolarHBondContact O-N 3.24Å; T60-T64 WeakPolarHBondContact CB-OG1 3.48Å; T60-T64 HydrophobicContact CG2-CG2 3.83Å; G61-T64 PolarHBondContact O-OG1 3.37Å; E62-T64 PolarHBondContact O-N 2.84Å; T64-I66 PolarHBondContact O-N 2.89Å
65	Q	79.6	Confident	73.9	Confident	102 Å²	102	63.6 Å²	63.6	48%	0.477	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	123.1	172.4	176.5	-179.9	-29.9	0	0	111.5	V19 H21 R68	V19-Q65 HydrophobicContact CG1-CB 4.25Å; V19-Q65 HydrophobicContact CG1-CG 3.51Å; H21-Q65 WeakPolarHBondContact ND1-CA 3.49Å; Q65-R68 VanDerWaalsContact NE2-CB 3.3Å
66	I	77.2	Confident	74	Confident	37 Å²	37	70.4 Å²	70.4	19%	0.19	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-28	177.9	56.8	169.8	0	0	0	112.9	L20 I55 V57 T64	L20-I66 HydrophobicContact CB-CG1 4.11Å; L20-I66 HydrophobicContact CD2-CD1 3.71Å; L20-I66 HydrophobicContact CD2-CG1 4.06Å; L20-I66 HydrophobicContact CG-CD1 3.88Å; L20-I66 HydrophobicContact CG-CG1 3.89Å; L20-I66 VanDerWaalsContact O-CG1 3.23Å; L20-I66 WeakPolarHBondContact O-CG1 3.44Å; L20-I66 PolarHBondContact O-N 3.35Å; I55-I66 HydrophobicContact CG2-CB 4.42Å; V57-I66 HydrophobicContact CG1-CG2 4.21Å; V57-I66 HydrophobicContact CG2-CD1 4.32Å; V57-I66 HydrophobicContact CG2-CG2 4.02Å; T64-I66 PolarHBondContact O-N 2.89Å
67	A	76.4	Confident	74.3	Confident	8 Å²	8	66.9 Å²	66.9	7%	0.066	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	149.4	175.4	0	0	0	0	0	111.4	V19 L20 L51 I55	V19-A67 WeakPolarHBondContact CA-O 3.47Å; V19-A67 WeakPolarHBondContact CG1-O 3.41Å; L20-A67 HydrophobicContact CB-CB 4.02Å; L20-A67 PolarHBondContact N-O 2.87Å; L20-A67 PolarHBondContact O-N 3.31Å; L51-A67 HydrophobicContact CD2-CB 4.01Å; I55-A67 HydrophobicContact CD1-CB 3.87Å
68	R	81.5	Confident	74.7	Confident	120 Å²	120	70.3 Å²	70.3	45%	0.453	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	130.6	172.6	175.9	168.6	-162.6	-103.2	5.8	109.3	E4 A17 L18 V19 Q65	E4-R68 IonicContact OE2-NE 2.86Å; A17-R68 HydrophobicContact CB-CG 4.13Å; L18-R68 CarbonylContact O-C 3.57Å; L18-R68 WeakPolarHBondContact O-CA 3.45Å; V19-R68 HydrophobicContact CG2-CB 4.33Å; V19-R68 HydrophobicContact CG2-CG 3.98Å; Q65-R68 VanDerWaalsContact NE2-CB 3.3Å
69	V	80.2	Confident	75	Confident	8 Å²	8	67.7 Å²	67.7	5%	0.048	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125.8	-178.2	-174.5	0	0	0	0	108.1	A17 L18 L35 L51 L71	A17-V69 CarbonylContact C-O 3.48Å; A17-V69 WeakPolarHBondContact CA-O 3.41Å; L18-V69 PolarHBondContact N-O 2.84Å; L18-V69 PolarHBondContact O-N 3.45Å; L35-V69 HydrophobicContact CD1-CG2 3.68Å; L51-V69 HydrophobicContact CB-CB 4.44Å; L51-V69 HydrophobicContact CB-CG1 4.24Å; L51-V69 HydrophobicContact CB-CG2 3.33Å; L51-V69 HydrophobicContact CD1-CG2 4.13Å; L51-V69 HydrophobicContact CD2-CG2 3.44Å; L51-V69 VanDerWaalsContact CD2-CG2 3.44Å; L51-V69 HydrophobicContact CG-CG2 3.78Å; V69-L71 HydrophobicContact CG1-CD2 4.41Å
70	I	81.1	Confident	75.3	Confident	97 Å²	97	69.7 Å²	69.7	50%	0.497	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	124.4	169.7	-60.6	176.4	0	0	0	106.9	W15	W15-I70 HydrophobicContact CB-CG2 4.31Å; W15-I70 HydrophobicContact CD2-CG2 4.3Å; W15-I70 HydrophobicContact CE3-CG2 3.46Å; W15-I70 VanDerWaalsContact CE3-CG2 3.46Å; W15-I70 HydrophobicContact CZ3-CG2 4.14Å
71	L	78.9	Confident	75.7	Confident	5 Å²	5	75.5 Å²	75.5	3%	0.026	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-86.2	146.1	-175.7	-61.4	173.8	0	0	0	110.9	F3 R16 L18 I37 V69 L74 F86	F3-L71 HydrophobicContact CD2-CD1 4.01Å; F3-L71 HydrophobicContact CE2-CD1 3.37Å; F3-L71 HydrophobicContact CZ-CD1 4.29Å; R16-L71 HydrophobicContact CB-CD1 4.48Å; R16-L71 PolarHBondContact O-N 3.35Å; L18-L71 HydrophobicContact CB-CD1 4.22Å; L18-L71 HydrophobicContact CB-CD2 4.13Å; L18-L71 HydrophobicContact CB-CG 4.33Å; I37-L71 HydrophobicContact CD1-CD2 4.22Å; V69-L71 HydrophobicContact CG1-CD2 4.41Å; L71-L74 HydrophobicContact CB-CD2 4.15Å; L71-L74 HydrophobicContact CD1-CD1 4.15Å; L71-L74 HydrophobicContact CD1-CD2 4.28Å; L71-F86 HydrophobicContact CD1-CE1 3.89Å; L71-F86 HydrophobicContact CD1-CZ 3.84Å; L71-F86 HydrophobicContact CD2-CE1 4.02Å
72	P	78.8	Confident	76.1	Confident	45 Å²	45	76 Å²	76	29%	0.292	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-65.7	172.7	167.6	31.5	-35.7	0	0	0	110.9	I37 L74 Y77	I37-P72 HydrophobicContact CD1-CG 4.08Å; P72-L74 WeakPolarHBondContact O-CG 3.38Å; P72-L74 PolarHBondContact O-N 2.94Å; P72-Y77 HydrophobicContact CG-CE2 3.95Å
73	P	77.8	Confident	76.7	Confident	97 Å²	97	70.1 Å²	70.1	63%	0.63	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-48.2	129.9	165.2	-25.5	35.1	0	0	0	110.3	E75 Y77	P73-E75 WeakPolarHBondContact CB-OE2 3.5Å; P73-Y77 WeakPolarHBondContact O-CD2 3.5Å; P73-Y77 VanDerWaalsContact O-CE2 3.25Å; P73-Y77 WeakPolarHBondContact O-CE2 3.43Å
74	L	79.6	Confident	77.3	Confident	10 Å²	10	67.9 Å²	67.9	5%	0.052	37%	0.366	C	S	.	.	S	Bend	trans	-97.1	-9.3	-167.1	-68.2	172.2	0	0	0	113	F3 I37 L71 P72 E76 Y77 I78 L84	F3-L74 HydrophobicContact CE2-CD1 3.9Å; F3-L74 HydrophobicContact CZ-CD1 3.6Å; I37-L74 HydrophobicContact CD1-CD2 3.95Å; L71-L74 HydrophobicContact CB-CD2 4.15Å; L71-L74 HydrophobicContact CD1-CD1 4.15Å; L71-L74 HydrophobicContact CD1-CD2 4.28Å; P72-L74 WeakPolarHBondContact O-CG 3.38Å; P72-L74 PolarHBondContact O-N 2.94Å; L74-E76 PolarHBondContact O-N 2.86Å; L74-Y77 PolarHBondContact O-N 2.93Å; L74-I78 PolarHBondContact O-N 3.46Å; L74-L84 HydrophobicContact CB-CD2 4.28Å; L74-L84 HydrophobicContact CD1-CD2 3.75Å; L74-L84 HydrophobicContact CD2-CD1 4.37Å; L74-L84 HydrophobicContact CD2-CD2 4.11Å; L74-L84 HydrophobicContact CG-CD2 4.27Å
75	E	76.9	Confident	77.6	Confident	100 Å²	100	68.6 Å²	68.6	47%	0.467	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-57.5	-36.8	-174.1	-66.9	74.9	-166.4	0	0	112.2	P73 Y77	P73-E75 WeakPolarHBondContact CB-OE2 3.5Å; E75-Y77 VanDerWaalsContact C-N 3.28Å; E75-Y77 PolarHBondContact O-N 3.12Å
76	E	76.5	Confident	77.8	Confident	163 Å²	163	66 Å²	66	76%	0.762	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-76.5	-13.1	179.4	-61.6	179.4	175.4	0	0	113.5	L74	L74-E76 PolarHBondContact O-N 2.86Å
77	Y	79.1	Confident	78.1	Confident	32 Å²	32	67.7 Å²	67.7	13%	0.125	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-102.9	-2.9	-177.7	-57.9	-91.7	0	0	0	112.8	I37 Y39 N48 P72 P73 L74 E75 D79	I37-Y77 HydrophobicContact CB-CD1 3.89Å; I37-Y77 HydrophobicContact CB-CE1 4.32Å; I37-Y77 HydrophobicContact CD1-CD1 4.3Å; I37-Y77 HydrophobicContact CD1-CE1 4.39Å; I37-Y77 HydrophobicContact CD1-CG 4.41Å; I37-Y77 HydrophobicContact CG2-CD1 3.39Å; I37-Y77 HydrophobicContact CG2-CE1 4.28Å; I37-Y77 HydrophobicContact CG2-CG 3.67Å; Y39-Y77 AromaticContact CD1-CD1 3.96Å; Y39-Y77 HydrophobicContact CD1-CD1 3.96Å; Y39-Y77 AromaticContact CD1-CE1 3.97Å; Y39-Y77 HydrophobicContact CD1-CE1 3.97Å; Y39-Y77 HydrophobicContact CE1-CE1 4.47Å; Y39-Y77 AromaticContact CG-CD1 3.99Å; Y39-Y77 HydrophobicContact CG-CD1 3.99Å; Y39-Y77 HydrophobicContact CG-CE1 4.26Å; N48-Y77 HydrophobicContact CB-CE1 3.82Å; N48-Y77 PolarHBondContact ND2-OH 2.82Å; P72-Y77 HydrophobicContact CG-CE2 3.95Å; P73-Y77 WeakPolarHBondContact O-CD2 3.5Å; P73-Y77 VanDerWaalsContact O-CE2 3.25Å; P73-Y77 WeakPolarHBondContact O-CE2 3.43Å; L74-Y77 PolarHBondContact O-N 2.93Å; E75-Y77 VanDerWaalsContact C-N 3.28Å; E75-Y77 PolarHBondContact O-N 3.12Å; Y77-D79 PolarHBondContact O-N 2.77Å
78	I	77.6	Confident	78.4	Confident	77 Å²	77	69.4 Å²	69.4	40%	0.395	38%	0.378	S	S	.	.			trans	-77.2	122.5	174.4	-64.1	173.5	0	0	0	107.7	L74 G82 A83	L74-I78 PolarHBondContact O-N 3.46Å; I78-G82 VanDerWaalsContact CG2-C 3.45Å; I78-G82 VanDerWaalsContact CG2-CA 3.42Å; I78-A83 WeakPolarHBondContact CA-O 3.29Å
79	D	73	Confident	78.4	Confident	45 Å²	45	66.5 Å²	66.5	24%	0.241	37%	0.374	C	S	.	.			trans	-69.8	175.3	179.2	77.5	4.7	0	0	0	112.4	Y77 N81 G82 A83	Y77-D79 PolarHBondContact O-N 2.77Å; D79-N81 PolarHBondContact O-N 2.76Å; D79-N81 VanDerWaalsContact OD1-CA 3.26Å; D79-N81 WeakPolarHBondContact OD1-CA 3.3Å; D79-N81 VanDerWaalsContact OD1-CB 3.3Å; D79-N81 WeakPolarHBondContact OD1-CB 3.41Å; D79-N81 PolarHBondContact OD1-N 2.9Å; D79-G82 PolarHBondContact O-N 2.86Å; D79-G82 PolarHBondContact OD1-N 2.77Å; D79-A83 PolarHBondContact N-O 2.82Å; D79-A83 WeakPolarHBondContact OD1-CB 3.48Å; D79-A83 PolarHBondContact OD1-N 2.97Å
80	N	69.1	Low	78.3	Confident	144 Å²	144	70.1 Å²	70.1	77%	0.77	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-16.4	178.7	-65.6	-29.8	0	0	0	113.9
81	N	69.2	Low	78.1	Confident	147 Å²	147	68.6 Å²	68.6	79%	0.786	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	0.3	176	-55.5	-51.5	0	0	0	112.5	D79 A83	D79-N81 PolarHBondContact O-N 2.76Å; D79-N81 VanDerWaalsContact OD1-CA 3.26Å; D79-N81 WeakPolarHBondContact OD1-CA 3.3Å; D79-N81 VanDerWaalsContact OD1-CB 3.3Å; D79-N81 WeakPolarHBondContact OD1-CB 3.41Å; D79-N81 PolarHBondContact OD1-N 2.9Å; N81-A83 VanDerWaalsContact C-N 3.33Å
82	G	72.1	Confident	77.8	Confident	59 Å²	59	72.8 Å²	72.8	61%	0.608	41%	0.413	S	S	*	.	S	Bend	trans	78.1	16.5	-174.8	0	0	0	0	0	113.6	I78 D79	I78-G82 VanDerWaalsContact CG2-C 3.45Å; I78-G82 VanDerWaalsContact CG2-CA 3.42Å; D79-G82 PolarHBondContact O-N 2.86Å; D79-G82 PolarHBondContact OD1-N 2.77Å
83	A	79	Confident	77.1	Confident	26 Å²	26	75.9 Å²	75.9	22%	0.215	42%	0.422	C	S	.	.			trans	-99.6	143.4	-178.8	0	0	0	0	0	111.9	I78 D79 N81	I78-A83 WeakPolarHBondContact CA-O 3.29Å; D79-A83 PolarHBondContact N-O 2.82Å; D79-A83 WeakPolarHBondContact OD1-CB 3.48Å; D79-A83 PolarHBondContact OD1-N 2.97Å; N81-A83 VanDerWaalsContact C-N 3.33Å
84	L	82.7	Confident	76.1	Confident	53 Å²	53	74.3 Å²	74.3	28%	0.277	42%	0.424	S	S	.	.			trans	-114.3	124.1	173.5	178.4	66	0	0	0	108.7	I37 L74 F86	I37-L84 HydrophobicContact CG2-CD1 4Å; L74-L84 HydrophobicContact CB-CD2 4.28Å; L74-L84 HydrophobicContact CD1-CD2 3.75Å; L74-L84 HydrophobicContact CD2-CD1 4.37Å; L74-L84 HydrophobicContact CD2-CD2 4.11Å; L74-L84 HydrophobicContact CG-CD2 4.27Å; L84-F86 HydrophobicContact CD1-CZ 4.46Å; L84-F86 HydrophobicContact CD2-CE1 4.48Å; L84-F86 HydrophobicContact CD2-CE2 3.57Å; L84-F86 HydrophobicContact CD2-CZ 3.44Å; L84-F86 VanDerWaalsContact CD2-CZ 3.44Å; L84-F86 HydrophobicContact CG-CD2 4.49Å; L84-F86 HydrophobicContact CG-CE2 3.75Å; L84-F86 HydrophobicContact CG-CZ 3.84Å
85	T	83	Confident	74.4	Confident	66 Å²	66	82.1 Å²	82.1	41%	0.405	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.4	-172.6	-59.6	0	0	0	0	110.8	V38	V38-T85 HydrophobicContact CB-CG2 3.93Å; V38-T85 HydrophobicContact CG2-CG2 3.78Å; V38-T85 PolarHBondContact N-O 2.84Å
86	F	84.2	Confident	72.2	Confident	47 Å²	47	82.5 Å²	82.5	21%	0.206	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.2	174.2	-61.6	-79.9	0	0	0	109.5	M1 F3 L18 D36 I37 L71 L84	M1-F86 HydrophobicContact CE-CB 4.01Å; F3-F86 HydrophobicContact CD2-CE2 4.29Å; F3-F86 HydrophobicContact CD2-CZ 4.26Å; F3-F86 HydrophobicContact CE2-CE2 4.21Å; F3-F86 AromaticContact CE2-CZ 3.87Å; F3-F86 HydrophobicContact CE2-CZ 3.87Å; L18-F86 HydrophobicContact CD2-CB 4.37Å; L18-F86 HydrophobicContact CD2-CD1 3.84Å; L18-F86 HydrophobicContact CD2-CE1 4.33Å; L18-F86 HydrophobicContact CD2-CG 4.15Å; D36-F86 WeakPolarHBondContact O-CA 3.41Å; I37-F86 HydrophobicContact CD1-CE1 4.3Å; I37-F86 HydrophobicContact CG1-CD1 3.95Å; I37-F86 HydrophobicContact CG1-CE1 3.81Å; L71-F86 HydrophobicContact CD1-CE1 3.89Å; L71-F86 HydrophobicContact CD1-CZ 3.84Å; L71-F86 HydrophobicContact CD2-CE1 4.02Å; L84-F86 HydrophobicContact CD1-CZ 4.46Å; L84-F86 HydrophobicContact CD2-CE1 4.48Å; L84-F86 HydrophobicContact CD2-CE2 3.57Å; L84-F86 HydrophobicContact CD2-CZ 3.44Å; L84-F86 VanDerWaalsContact CD2-CZ 3.44Å; L84-F86 HydrophobicContact CG-CD2 4.49Å; L84-F86 HydrophobicContact CG-CE2 3.75Å; L84-F86 HydrophobicContact CG-CZ 3.84Å
87	L	83.6	Confident	69.8	Low	73 Å²	73	82.7 Å²	82.7	38%	0.382	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	122.6	173.1	-179.8	63.9	0	0	0	109.2	D36 V38 L47	D36-L87 HydrophobicContact CB-CB 4.38Å; D36-L87 PolarHBondContact N-O 3.21Å; D36-L87 PolarHBondContact O-N 2.83Å; V38-L87 HydrophobicContact CG2-CB 3.91Å; L47-L87 HydrophobicContact CD1-CD2 4.12Å; L47-L87 HydrophobicContact CD2-CD2 3.97Å
88	C	83.2	Confident	67.2	Low	44 Å²	44	88.4 Å²	88.4	30%	0.297	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	112.6	173.5	-176.6	0	0	0	0	109.3	M1 Q34 L35	M1-C88 HydrophobicContact SD-CB 4.37Å; Q34-C88 WeakPolarHBondContact O-CA 3.14Å; L35-C88 HydrophobicContact CD2-CB 3.56Å; L35-C88 WeakPolarHBondContact CD2-SG 3.43Å
89	T	81.3	Confident	64.6	Low	59 Å²	59	92.3 Å²	92.3	36%	0.362	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	119.9	174.3	-56.2	0	0	0	0	109	Q34	Q34-T89 PolarHBondContact N-O 3Å; Q34-T89 PolarHBondContact O-N 2.94Å
90	I	77.3	Confident	62.2	Low	83 Å²	83	101.3 Å²	101.3	43%	0.426	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.9	108.2	176.9	-54.6	178.2	0	0	0	108.2	L20 C31 K32 V33 T92	L20-I90 HydrophobicContact CD2-CD1 4.25Å; C31-I90 HydrophobicContact CB-CG2 3.95Å; K32-I90 WeakPolarHBondContact O-CA 3.48Å; V33-I90 HydrophobicContact CG2-CG1 4.4Å; V33-I90 HydrophobicContact CG2-CG2 4.48Å; I90-T92 HydrophobicContact CG2-CG2 4.32Å
91	T	77.8	Confident	60	Low	66 Å²	66	103.4 Å²	103.4	41%	0.405	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.8	108.3	173.7	-48.8	0	0	0	0	108.7	C31 K32 F93	C31-T91 CarbonylContact C-O 3.57Å; C31-T91 WeakPolarHBondContact CA-O 3.44Å; C31-T91 WeakPolarHBondContact CB-O 3.29Å; K32-T91 PolarHBondContact N-O 2.9Å; K32-T91 PolarHBondContact O-N 2.95Å; T91-F93 HydrophobicContact CG2-CE1 4.25Å; T91-F93 HydrophobicContact CG2-CZ 4.43Å
92	T	72.9	Confident	57.9	Low	92 Å²	92	103.8 Å²	103.8	56%	0.564	58%	0.576	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.5	133.3	173.5	53	0	0	0	0	110.1	F29 C31 I90 G94	F29-T92 HydrophobicContact CD2-CG2 4.16Å; F29-T92 HydrophobicContact CE2-CG2 4.34Å; C31-T92 HydrophobicContact CB-CG2 4.26Å; I90-T92 HydrophobicContact CG2-CG2 4.32Å; T92-G94 PolarHBondContact O-N 2.83Å
93	F	64.3	Low	55.6	Low	110 Å²	110	105.3 Å²	105.3	48%	0.482	58%	0.582	S	S	.	*			trans	-92.3	98.2	176.9	-59.5	-72.3	0	0	0	109	S30 K32 F54 T91	S30-F93 PolarHBondContact O-N 2.94Å; S30-F93 VanDerWaalsContact O-N 3.13Å; K32-F93 HydrophobicContact CB-CE2 3.8Å; K32-F93 HydrophobicContact CB-CZ 3.81Å; F54-F93 AromaticContact CD1-CE2 3.73Å; F54-F93 HydrophobicContact CD1-CE2 3.73Å; F54-F93 HydrophobicContact CD1-CZ 4.18Å; F54-F93 AromaticContact CE1-CE2 3.59Å; F54-F93 HydrophobicContact CE1-CE2 3.59Å; F54-F93 AromaticContact CE1-CZ 3.54Å; F54-F93 HydrophobicContact CE1-CZ 3.54Å; T91-F93 HydrophobicContact CG2-CE1 4.25Å; T91-F93 HydrophobicContact CG2-CZ 4.43Å
94	G	55.3	Low	53.2	Low	65 Å²	65	109.1 Å²	109.1	67%	0.67	61%	0.608	S	S	*	*			trans	-70.8	168.2	166.4	0	0	0	0	0	111.6	T92 A96	T92-G94 PolarHBondContact O-N 2.83Å; G94-A96 PolarHBondContact O-N 2.75Å
95	Q	45.4	Very low	50.7	Low	173 Å²	173	112.6 Å²	112.6	81%	0.808	63%	0.625	S	S	*	*			trans	-57.2	132.1	164	-77.6	-177.7	-14.4	0	0	108.9	F97	Q95-F97 VanDerWaalsContact O-CD2 3.29Å; Q95-F97 WeakPolarHBondContact O-CD2 3.22Å; Q95-F97 PolarHBondContact O-N 3.47Å; Q95-F97 VanDerWaalsContact O-N 3.09Å
96	A	30.3	Very low	48.4	Very low	108 Å²	108	115.7 Å²	115.7	89%	0.893	64%	0.639	S	S	*	*			trans	-60.1	113.8	-177.1	0	0	0	0	0	110.5	G94	G94-A96 PolarHBondContact O-N 2.75Å
97	F	26.5	Very low	46.4	Very low	167 Å²	167	117.1 Å²	117.1	73%	0.732	65%	0.652	S	S	*	*			trans	-104.2	133.1	164.1	-75.8	-85.2	0	0	0	108.6	Q95 L99	Q95-F97 VanDerWaalsContact O-CD2 3.29Å; Q95-F97 WeakPolarHBondContact O-CD2 3.22Å; Q95-F97 PolarHBondContact O-N 3.47Å; Q95-F97 VanDerWaalsContact O-N 3.09Å; F97-L99 PolarHBondContact O-N 2.88Å
98	T	22.9	Very low	44.6	Very low	152 Å²	152	116.9 Å²	116.9	93%	0.933	65%	0.651	S	S	*	*			trans	-66.9	92.6	170.2	16.5	0	0	0	0	109.2	R100	T98-R100 PolarHBondContact O-N 2.83Å
99	L	23.2	Very low	42.8	Very low	159 Å²	159	117.3 Å²	117.3	83%	0.832	66%	0.655	S	S	*	*			trans	-75.7	120.5	170.4	-105.1	108.5	0	0	0	109.8	F97 E101	F97-L99 PolarHBondContact O-N 2.88Å; L99-E101 PolarHBondContact O-N 3Å
100	R	23	Very low	41.4	Very low	235 Å²	235	120 Å²	120	89%	0.887	66%	0.663	S	S	*	*			trans	-68.5	123.5	159.1	-90.2	-179.3	170.7	177.9	-2.8	108.1	T98 N102	T98-R100 PolarHBondContact O-N 2.83Å; R100-N102 PolarHBondContact O-N 2.82Å; R100-N102 VanDerWaalsContact O-N 3.11Å
101	E	23	Very low	40	Very low	188 Å²	188	118.7 Å²	118.7	88%	0.879	67%	0.665	S	S	*	*			trans	-53.6	111.2	175.5	-70.2	175.8	146.7	0	0	111.2	L99	L99-E101 PolarHBondContact O-N 3Å
102	N	24.2	Very low	38.7	Very low	154 Å²	154	116 Å²	116	82%	0.824	65%	0.647	S	S	*	*			trans	-102.4	93.5	151.3	-82	-21.4	0	0	0	105.8	R100 S104	R100-N102 PolarHBondContact O-N 2.82Å; R100-N102 VanDerWaalsContact O-N 3.11Å; N102-S104 VanDerWaalsContact C-N 3.33Å; N102-S104 PolarHBondContact O-N 3.01Å
103	A	24.8	Very low	37.9	Very low	91 Å²	91	114.5 Å²	114.5	75%	0.752	64%	0.638	S	S	*	*			trans	-62.3	91.5	176.4	0	0	0	0	0	110.1	I105	A103-I105 PolarHBondContact O-N 2.9Å; A103-I105 VanDerWaalsContact O-N 3.17Å
104	S	28.8	Very low	37.3	Very low	107 Å²	107	112.7 Å²	112.7	75%	0.748	63%	0.633	S	S	*	*			trans	-75.5	98.9	165.4	37.4	0	0	0	0	108.4	N102 N106	N102-S104 VanDerWaalsContact C-N 3.33Å; N102-S104 PolarHBondContact O-N 3.01Å; S104-N106 PolarHBondContact O-N 3.45Å; S104-N106 VanDerWaalsContact O-N 3.07Å
105	I	30.6	Very low	37.2	Very low	126 Å²	126	110.5 Å²	110.5	65%	0.646	61%	0.608	S	S	*	*			trans	-56.5	107	176.5	-59.7	165.7	0	0	0	108.7	A103	A103-I105 PolarHBondContact O-N 2.9Å; A103-I105 VanDerWaalsContact O-N 3.17Å
106	N	34.6	Very low	37.5	Very low	130 Å²	130	103.5 Å²	103.5	70%	0.695	58%	0.575	S	S	*	*			trans	-116.8	42.9	-177.4	-151	32.7	0	0	0	111.1	S104	S104-N106 PolarHBondContact O-N 3.45Å; S104-N106 VanDerWaalsContact O-N 3.07Å
107	T	40.4	Very low	38.5	Very low	78 Å²	78	102.4 Å²	102.4	48%	0.479	55%	0.55	S	S	.	.			trans	-130.7	-2.6	-166.8	50.6	0	0	0	0	115.5	S109 E110 A111	T107-S109 PolarHBondContact O-N 2.82Å; T107-E110 PolarHBondContact O-N 2.77Å; T107-A111 WeakPolarHBondContact O-CB 3.37Å; T107-A111 PolarHBondContact O-N 2.89Å; T107-A111 VanDerWaalsContact O-N 3.12Å
108	N	46.1	Very low	39.8	Very low	68 Å²	68	102.8 Å²	102.8	36%	0.364	55%	0.546	S	S	.	.	H	α-helix	trans	-71.5	-33.6	-168.3	-70.2	24.8	0	0	0	113.8	D419	N108-D419 PolarHBondContact ND2-OD2 2.95Å
109	S	46.6	Very low	41.2	Very low	53 Å²	53	96.7 Å²	96.7	37%	0.371	51%	0.508	S	S	.	.	H	α-helix	trans	-74.4	-42.1	176.3	48.7	0	0	0	0	111.7	T107 F112 V113	T107-S109 PolarHBondContact O-N 2.82Å; S109-F112 WeakPolarHBondContact O-CB 3.5Å; S109-F112 PolarHBondContact O-N 3.47Å; S109-V113 WeakPolarHBondContact O-CG2 3.18Å; S109-V113 PolarHBondContact O-N 2.86Å
110	E	50.7	Low	42.3	Very low	116 Å²	116	90.8 Å²	90.8	54%	0.542	48%	0.477	S	S	.	.	H	α-helix	trans	-67.4	-43.1	-175.5	-160.7	176.8	-167.9	0	0	112	T107 F112 V113 N114	T107-E110 PolarHBondContact O-N 2.77Å; E110-F112 PolarHBondContact O-N 3.4Å; E110-V113 PolarHBondContact O-N 2.93Å; E110-N114 VanDerWaalsContact O-CB 3.27Å; E110-N114 WeakPolarHBondContact O-CB 3.15Å; E110-N114 PolarHBondContact O-N 2.89Å; E110-N114 PolarHBondContact O-ND2 3.49Å
111	A	49.7	Very low	43.5	Very low	55 Å²	55	83.4 Å²	83.4	46%	0.455	45%	0.452	S	S	.	.	H	α-helix	trans	-59.9	-36.9	174.3	0	0	0	0	0	112.3	T107 S115	T107-A111 WeakPolarHBondContact O-CB 3.37Å; T107-A111 PolarHBondContact O-N 2.89Å; T107-A111 VanDerWaalsContact O-N 3.12Å; A111-S115 PolarHBondContact O-N 3.3Å; A111-S115 VanDerWaalsContact O-N 3.08Å; A111-S115 PolarHBondContact O-OG 3.45Å
112	F	50.1	Low	44.7	Very low	9 Å²	9	78.6 Å²	78.6	4%	0.039	45%	0.445	C	S	.	.	H	α-helix	trans	-70.7	-47.1	177.3	-173.2	-80.4	0	0	0	111.8	S109 E110 N114 S115 F116 F347 F351	S109-F112 WeakPolarHBondContact O-CB 3.5Å; S109-F112 PolarHBondContact O-N 3.47Å; E110-F112 PolarHBondContact O-N 3.4Å; F112-N114 VanDerWaalsContact C-N 3.32Å; F112-N114 PolarHBondContact O-N 2.98Å; F112-S115 WeakPolarHBondContact O-CB 3.32Å; F112-S115 PolarHBondContact O-N 3.46Å; F112-F116 HydrophobicContact CD1-CD2 4.29Å; F112-F116 AromaticContact CE1-CD2 3.64Å; F112-F116 HydrophobicContact CE1-CD2 3.64Å; F112-F116 AromaticContact CE1-CE2 3.78Å; F112-F116 HydrophobicContact CE1-CE2 3.78Å; F112-F116 HydrophobicContact CZ-CD2 4.03Å; F112-F116 AromaticContact CZ-CE2 3.77Å; F112-F116 HydrophobicContact CZ-CE2 3.77Å; F112-F116 PolarHBondContact O-N 3.02Å; F112-F347 AromaticContact CD1-CE1 3.43Å; F112-F347 HydrophobicContact CD1-CE1 3.43Å; F112-F347 VanDerWaalsContact CD1-CE1 3.43Å; F112-F347 AromaticContact CD1-CZ 3.91Å; F112-F347 HydrophobicContact CD1-CZ 3.91Å; F112-F347 AromaticContact CE1-CE1 3.71Å; F112-F347 HydrophobicContact CE1-CE1 3.71Å; F112-F347 AromaticContact CE1-CZ 3.85Å; F112-F347 HydrophobicContact CE1-CZ 3.85Å; F112-F347 HydrophobicContact CG-CE1 4.37Å; F112-F351 HydrophobicContact CD1-CE2 4.4Å; F112-F351 HydrophobicContact CE1-CD1 4.4Å; F112-F351 AromaticContact CE1-CD2 3.74Å; F112-F351 HydrophobicContact CE1-CD2 3.74Å; F112-F351 AromaticContact CE1-CE1 3.99Å; F112-F351 HydrophobicContact CE1-CE1 3.99Å; F112-F351 AromaticContact CE1-CE2 3.28Å; F112-F351 HydrophobicContact CE1-CE2 3.28Å; F112-F351 HydrophobicContact CE1-CG 4.27Å; F112-F351 AromaticContact CE1-CZ 3.41Å; F112-F351 HydrophobicContact CE1-CZ 3.41Å; F112-F351 VanDerWaalsContact CE1-CZ 3.41Å; F112-F351 HydrophobicContact CE2-CG 4.48Å; F112-F351 AromaticContact CZ-CD1 3.67Å; F112-F351 HydrophobicContact CZ-CD1 3.67Å; F112-F351 AromaticContact CZ-CD2 3.59Å; F112-F351 HydrophobicContact CZ-CD2 3.59Å; F112-F351 AromaticContact CZ-CE1 3.6Å; F112-F351 HydrophobicContact CZ-CE1 3.6Å; F112-F351 AromaticContact CZ-CE2 3.53Å; F112-F351 HydrophobicContact CZ-CE2 3.53Å; F112-F351 AromaticContact CZ-CG 3.65Å; F112-F351 HydrophobicContact CZ-CG 3.65Å; F112-F351 AromaticContact CZ-CZ 3.52Å; F112-F351 HydrophobicContact CZ-CZ 3.52Å
113	V	54.5	Low	45.8	Very low	60 Å²	60	77 Å²	77	36%	0.364	43%	0.431	S	S	.	.	H	α-helix	trans	-59.9	-44.3	176.9	172	0	0	0	0	110.5	S109 E110 S115 F116 K117 F347	S109-V113 WeakPolarHBondContact O-CG2 3.18Å; S109-V113 PolarHBondContact O-N 2.86Å; E110-V113 PolarHBondContact O-N 2.93Å; V113-S115 VanDerWaalsContact C-N 3.29Å; V113-S115 PolarHBondContact O-N 3.45Å; V113-F116 PolarHBondContact O-N 3.18Å; V113-K117 PolarHBondContact O-N 3.15Å; V113-F347 HydrophobicContact CG2-CE1 4.22Å; V113-F347 HydrophobicContact CG2-CZ 4.36Å
114	N	53.6	Low	46.8	Very low	72 Å²	72	74.9 Å²	74.9	39%	0.385	41%	0.409	S	S	.	.	H	α-helix	trans	-64.6	-32.6	177.5	-70.6	-18	0	0	0	112.6	E110 F112 F116 R118	E110-N114 VanDerWaalsContact O-CB 3.27Å; E110-N114 WeakPolarHBondContact O-CB 3.15Å; E110-N114 PolarHBondContact O-N 2.89Å; E110-N114 PolarHBondContact O-ND2 3.49Å; F112-N114 VanDerWaalsContact C-N 3.32Å; F112-N114 PolarHBondContact O-N 2.98Å; N114-F116 VanDerWaalsContact C-N 3.29Å; N114-F116 PolarHBondContact O-N 3.36Å; N114-R118 WeakPolarHBondContact O-CG 3.43Å; N114-R118 PolarHBondContact O-N 3.44Å
115	S	52.1	Low	47.7	Very low	20 Å²	20	73.3 Å²	73.3	14%	0.14	41%	0.409	C	S	.	.	H	α-helix	trans	-65.1	-34.6	173.4	-57	0	0	0	0	111.7	A111 F112 V113	A111-S115 PolarHBondContact O-N 3.3Å; A111-S115 VanDerWaalsContact O-N 3.08Å; A111-S115 PolarHBondContact O-OG 3.45Å; F112-S115 WeakPolarHBondContact O-CB 3.32Å; F112-S115 PolarHBondContact O-N 3.46Å; V113-S115 VanDerWaalsContact C-N 3.29Å; V113-S115 PolarHBondContact O-N 3.45Å
116	F	51.7	Low	48.3	Very low	25 Å²	25	70.4 Å²	70.4	11%	0.11	40%	0.397	C	S	.	.	H	α-helix	trans	-77.6	-39.5	176.8	-107.1	-84.7	0	0	0	113.4	F112 V113 N114 R118 I119 L120 I143 F351 I378	F112-F116 HydrophobicContact CD1-CD2 4.29Å; F112-F116 AromaticContact CE1-CD2 3.64Å; F112-F116 HydrophobicContact CE1-CD2 3.64Å; F112-F116 AromaticContact CE1-CE2 3.78Å; F112-F116 HydrophobicContact CE1-CE2 3.78Å; F112-F116 HydrophobicContact CZ-CD2 4.03Å; F112-F116 AromaticContact CZ-CE2 3.77Å; F112-F116 HydrophobicContact CZ-CE2 3.77Å; F112-F116 PolarHBondContact O-N 3.02Å; V113-F116 PolarHBondContact O-N 3.18Å; N114-F116 VanDerWaalsContact C-N 3.29Å; N114-F116 PolarHBondContact O-N 3.36Å; F116-R118 PolarHBondContact O-N 2.82Å; F116-I119 HydrophobicContact CD1-CD1 4.45Å; F116-I119 WeakPolarHBondContact O-CB 3.18Å; F116-I119 PolarHBondContact O-N 2.86Å; F116-L120 PolarHBondContact O-N 2.8Å; F116-L120 VanDerWaalsContact O-N 3.17Å; F116-I143 HydrophobicContact CE1-CD1 4.17Å; F116-I143 HydrophobicContact CE1-CG1 4.08Å; F116-I143 HydrophobicContact CE1-CG2 4.27Å; F116-F351 HydrophobicContact CD2-CZ 4.41Å; F116-F351 AromaticContact CE2-CE1 3.62Å; F116-F351 HydrophobicContact CE2-CE1 3.62Å; F116-F351 AromaticContact CE2-CZ 3.7Å; F116-F351 HydrophobicContact CE2-CZ 3.7Å; F116-F351 AromaticContact CZ-CE1 3.79Å; F116-F351 HydrophobicContact CZ-CE1 3.79Å; F116-F351 HydrophobicContact CZ-CZ 4.01Å; F116-I378 HydrophobicContact CE2-CG1 4.13Å; F116-I378 HydrophobicContact CZ-CD1 4.27Å; F116-I378 HydrophobicContact CZ-CG1 3.79Å
117	K	51.9	Low	48.9	Very low	85 Å²	85	65.5 Å²	65.5	37%	0.37	37%	0.371	S	S	.	.	H	α-helix	trans	-52.1	-46.2	173	-78.7	-165.3	171.9	-161	0	110.9	V113 I119 L120 E121	V113-K117 PolarHBondContact O-N 3.15Å; K117-I119 VanDerWaalsContact C-N 3.29Å; K117-I119 PolarHBondContact O-N 3.02Å; K117-L120 PolarHBondContact O-N 2.76Å; K117-L120 VanDerWaalsContact O-N 3.12Å; K117-E121 WeakPolarHBondContact O-CB 3.15Å; K117-E121 WeakPolarHBondContact O-CG 2.94Å; K117-E121 PolarHBondContact O-N 3.45Å
118	R	53.6	Low	49.2	Very low	176 Å²	176	65.1 Å²	65.1	66%	0.664	37%	0.366	S	S	*	.	H	α-helix	trans	-55.6	-36.6	175	-71	175.8	-176.7	-170.6	0.5	114.3	N114 F116 A122	N114-R118 WeakPolarHBondContact O-CG 3.43Å; N114-R118 PolarHBondContact O-N 3.44Å; F116-R118 PolarHBondContact O-N 2.82Å; R118-A122 WeakPolarHBondContact O-CB 3.26Å; R118-A122 PolarHBondContact O-N 3.17Å; R118-A122 VanDerWaalsContact O-N 3.09Å
119	I	51.8	Low	49.2	Very low	23 Å²	23	65.4 Å²	65.4	12%	0.118	37%	0.367	C	S	.	.	H	α-helix	trans	-70.5	-44.6	178.6	-66.5	166.7	0	0	0	110.8	F116 K117 A122 K123 I143 S377 A381	F116-I119 HydrophobicContact CD1-CD1 4.45Å; F116-I119 WeakPolarHBondContact O-CB 3.18Å; F116-I119 PolarHBondContact O-N 2.86Å; K117-I119 VanDerWaalsContact C-N 3.29Å; K117-I119 PolarHBondContact O-N 3.02Å; I119-A122 PolarHBondContact O-N 2.97Å; I119-K123 PolarHBondContact O-N 3.07Å; I119-I143 HydrophobicContact CG2-CD1 4.48Å; I119-S377 VanDerWaalsContact CD1-O 3.27Å; I119-S377 WeakPolarHBondContact CD1-O 3.25Å; I119-A381 HydrophobicContact CD1-CB 3.33Å; I119-A381 HydrophobicContact CG1-CB 4.01Å
120	L	46.8	Very low	49.2	Very low	36 Å²	36	65.3 Å²	65.3	19%	0.188	36%	0.364	C	S	.	.	H	α-helix	trans	-68	-46.7	-176.7	-68.2	165.4	0	0	0	110	F116 K117 A122 K123 T124 L128 I143	F116-L120 PolarHBondContact O-N 2.8Å; F116-L120 VanDerWaalsContact O-N 3.17Å; K117-L120 PolarHBondContact O-N 2.76Å; K117-L120 VanDerWaalsContact O-N 3.12Å; L120-A122 VanDerWaalsContact C-N 3.32Å; L120-A122 PolarHBondContact O-N 2.82Å; L120-K123 PolarHBondContact O-N 2.77Å; L120-K123 VanDerWaalsContact O-N 3.08Å; L120-T124 PolarHBondContact O-N 2.9Å; L120-T124 PolarHBondContact O-OG1 2.71Å; L120-L128 HydrophobicContact CB-CD1 3.39Å; L120-L128 HydrophobicContact CD1-CD1 3.76Å; L120-L128 HydrophobicContact CD1-CD2 3.81Å; L120-L128 HydrophobicContact CD1-CG 4.45Å; L120-L128 HydrophobicContact CD2-CD1 4.27Å; L120-L128 HydrophobicContact CG-CD1 3.99Å; L120-I143 HydrophobicContact CD2-CD1 4.3Å
121	E	48.8	Very low	48.9	Very low	79 Å²	79	62.2 Å²	62.2	37%	0.369	35%	0.353	S	S	.	.	H	α-helix	trans	-57.4	-42.5	174.8	-71.6	163.5	-163.6	0	0	112.1	K117 K123 G125	K117-E121 WeakPolarHBondContact O-CB 3.15Å; K117-E121 WeakPolarHBondContact O-CG 2.94Å; K117-E121 PolarHBondContact O-N 3.45Å; E121-K123 PolarHBondContact O-N 2.84Å; E121-G125 PolarHBondContact O-N 2.84Å
122	A	48.2	Very low	48.6	Very low	88 Å²	88	63 Å²	63	73%	0.727	35%	0.354	S	S	*	.	H	α-helix	trans	-64.2	-23.4	178.7	0	0	0	0	0	113.7	R118 I119 L120	R118-A122 WeakPolarHBondContact O-CB 3.26Å; R118-A122 PolarHBondContact O-N 3.17Å; R118-A122 VanDerWaalsContact O-N 3.09Å; I119-A122 PolarHBondContact O-N 2.97Å; L120-A122 VanDerWaalsContact C-N 3.32Å; L120-A122 PolarHBondContact O-N 2.82Å
123	K	46.1	Very low	48.4	Very low	121 Å²	121	68.9 Å²	68.9	53%	0.526	40%	0.396	S	S	.	.	H	α-helix	trans	-95.4	-36.1	179.4	-81.3	-170.4	176.2	-177.8	0	113.7	I119 L120 E121	I119-K123 PolarHBondContact O-N 3.07Å; L120-K123 PolarHBondContact O-N 2.77Å; L120-K123 VanDerWaalsContact O-N 3.08Å; E121-K123 PolarHBondContact O-N 2.84Å
124	T	47	Very low	47.6	Very low	46 Å²	46	72.5 Å²	72.5	28%	0.282	41%	0.413	S	S	.	.	H	α-helix	trans	-89.8	-18.9	-176.3	54.9	0	0	0	0	112.1	L120 T126	L120-T124 PolarHBondContact O-N 2.9Å; L120-T124 PolarHBondContact O-OG1 2.71Å; T124-T126 VanDerWaalsContact CB-OG1 3.26Å; T124-T126 WeakPolarHBondContact CB-OG1 3.5Å; T124-T126 PolarHBondContact O-N 3.28Å; T124-T126 PolarHBondContact O-OG1 2.81Å; T124-T126 PolarHBondContact OG1-O 2.54Å
125	G	46.8	Very low	46.8	Very low	74 Å²	74	71.8 Å²	71.8	76%	0.763	41%	0.413	S	S	*	.	S	Bend	trans	57.7	11.7	-171.1	0	0	0	0	0	112.9	E121	E121-G125 PolarHBondContact O-N 2.84Å
126	T	44	Very low	46.1	Very low	64 Å²	64	76.7 Å²	76.7	39%	0.393	44%	0.443	S	S	.	.	S	Bend	trans	-138.9	136.6	-172.2	31.7	0	0	0	0	108.1	T124	T124-T126 VanDerWaalsContact CB-OG1 3.26Å; T124-T126 WeakPolarHBondContact CB-OG1 3.5Å; T124-T126 PolarHBondContact O-N 3.28Å; T124-T126 PolarHBondContact O-OG1 2.81Å; T124-T126 PolarHBondContact OG1-O 2.54Å
127	D	47	Very low	45.4	Very low	28 Å²	28	79.3 Å²	79.3	15%	0.15	46%	0.457	C	S	.	.			trans	-64.5	133.4	177.7	-172.2	8	0	0	0	110	H42 D129 T130	H42-D127 VanDerWaalsContact C-OD2 3.27Å; D127-D129 PolarHBondContact O-N 3.18Å; D127-D129 VanDerWaalsContact O-N 3.11Å; D127-T130 HydrophobicContact CB-CG2 4.44Å; D127-T130 PolarHBondContact O-N 2.88Å; D127-T130 PolarHBondContact O-OG1 2.9Å
128	L	45.6	Very low	44.7	Very low	70 Å²	70	80.8 Å²	80.8	37%	0.366	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-61.6	-24	-172.2	-134.2	89	0	0	0	112.8	L120 T130 V131	L120-L128 HydrophobicContact CB-CD1 3.39Å; L120-L128 HydrophobicContact CD1-CD1 3.76Å; L120-L128 HydrophobicContact CD1-CD2 3.81Å; L120-L128 HydrophobicContact CD1-CG 4.45Å; L120-L128 HydrophobicContact CD2-CD1 4.27Å; L120-L128 HydrophobicContact CG-CD1 3.99Å; L128-T130 VanDerWaalsContact C-N 3.27Å; L128-V131 VanDerWaalsContact O-CG2 3.27Å; L128-V131 WeakPolarHBondContact O-CG2 3.45Å
129	D	47.3	Very low	44.2	Very low	74 Å²	74	73.7 Å²	73.7	40%	0.396	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-84	-5.3	-179.2	-62.8	-30.4	0	0	0	112.2	D127	D127-D129 PolarHBondContact O-N 3.18Å; D127-D129 VanDerWaalsContact O-N 3.11Å
130	T	46.2	Very low	44	Very low	50 Å²	50	75 Å²	75	31%	0.307	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-115.6	21.4	-176.4	61.6	0	0	0	0	114.1	H42 D127 L128 P132	H42-T130 WeakPolarHBondContact ND1-CG2 3.43Å; D127-T130 HydrophobicContact CB-CG2 4.44Å; D127-T130 PolarHBondContact O-N 2.88Å; D127-T130 PolarHBondContact O-OG1 2.9Å; L128-T130 VanDerWaalsContact C-N 3.27Å; T130-P132 VanDerWaalsContact O-CD 3.25Å; T130-P132 WeakPolarHBondContact O-CD 3.36Å
131	V	44	Very low	43.8	Very low	51 Å²	51	81.5 Å²	81.5	31%	0.309	48%	0.484	S	S	.	.			trans	-69	117.4	-174.9	-179	0	0	0	0	110.2	L128 C135 I137	L128-V131 VanDerWaalsContact O-CG2 3.27Å; L128-V131 WeakPolarHBondContact O-CG2 3.45Å; V131-C135 HydrophobicContact CG1-CB 3.46Å; V131-C135 VanDerWaalsContact CG1-CB 3.46Å; V131-I137 HydrophobicContact CG1-CD1 4.15Å; V131-I137 HydrophobicContact CG1-CG1 4.17Å; V131-I137 HydrophobicContact CG2-CD1 4.33Å
132	P	43.3	Very low	43.9	Very low	71 Å²	71	78 Å²	78	46%	0.461	47%	0.468	S	S	.	.			trans	-57.9	144.7	171.1	1.1	1.7	0	0	0	110	T130 D134 C135	T130-P132 VanDerWaalsContact O-CD 3.25Å; T130-P132 WeakPolarHBondContact O-CD 3.36Å; P132-D134 WeakPolarHBondContact CB-OD1 3.48Å; P132-D134 PolarHBondContact O-N 2.79Å; P132-C135 HydrophobicContact CG-CB 4.21Å; P132-C135 VanDerWaalsContact O-CB 3.29Å; P132-C135 WeakPolarHBondContact O-CB 3.33Å; P132-C135 PolarHBondContact O-N 2.96Å
133	S	45.6	Very low	44	Very low	134 Å²	134	75.3 Å²	75.3	94%	0.937	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-17	-175.4	44.3	0	0	0	0	115.3
134	D	38.9	Very low	43.8	Very low	135 Å²	135	76.6 Å²	76.6	72%	0.722	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	5.5	-178.3	47.6	-34.7	0	0	0	113.9	P132	P132-D134 WeakPolarHBondContact CB-OD1 3.48Å; P132-D134 PolarHBondContact O-N 2.79Å
135	C	36.7	Very low	43.7	Very low	57 Å²	57	79.6 Å²	79.6	39%	0.385	46%	0.457	S	S	.	.			trans	-76.3	131.7	179.8	-170.1	0	0	0	0	112.8	V131 P132 I137	V131-C135 HydrophobicContact CG1-CB 3.46Å; V131-C135 VanDerWaalsContact CG1-CB 3.46Å; P132-C135 HydrophobicContact CG-CB 4.21Å; P132-C135 VanDerWaalsContact O-CB 3.29Å; P132-C135 WeakPolarHBondContact O-CB 3.33Å; P132-C135 PolarHBondContact O-N 2.96Å; C135-I137 PolarHBondContact O-N 2.99Å
136	V	36.5	Very low	43.5	Very low	124 Å²	124	77.5 Å²	77.5	75%	0.752	43%	0.429	S	S	*	.			trans	-85.2	98.8	171.4	-179.1	0	0	0	0	109.1	T138	V136-T138 PolarHBondContact O-N 2.92Å; V136-T138 VanDerWaalsContact O-N 3.1Å
137	I	36.9	Very low	42.9	Very low	80 Å²	80	85 Å²	85	41%	0.41	45%	0.45	S	S	.	.			trans	-71.1	106.7	173	-54.4	176.4	0	0	0	108.8	V131 C135 A139	V131-I137 HydrophobicContact CG1-CD1 4.15Å; V131-I137 HydrophobicContact CG1-CG1 4.17Å; V131-I137 HydrophobicContact CG2-CD1 4.33Å; C135-I137 PolarHBondContact O-N 2.99Å; I137-A139 VanDerWaalsContact C-N 3.31Å; I137-A139 HydrophobicContact CG2-CB 4.41Å; I137-A139 PolarHBondContact O-N 2.85Å
138	T	37.9	Very low	42.4	Very low	116 Å²	116	88.7 Å²	88.7	71%	0.712	48%	0.478	S	S	*	.			trans	-80.3	82.1	173	-52.9	0	0	0	0	109.3	V136	V136-T138 PolarHBondContact O-N 2.92Å; V136-T138 VanDerWaalsContact O-N 3.1Å
139	A	42.5	Very low	41.7	Very low	26 Å²	26	89.2 Å²	89.2	22%	0.215	49%	0.486	C	S	.	.			trans	-84.2	139.8	173.5	0	0	0	0	0	111.1	I137 F144	I137-A139 VanDerWaalsContact C-N 3.31Å; I137-A139 HydrophobicContact CG2-CB 4.41Å; I137-A139 PolarHBondContact O-N 2.85Å; A139-F144 HydrophobicContact CB-CD2 3.91Å; A139-F144 HydrophobicContact CB-CE2 3.31Å; A139-F144 HydrophobicContact CB-CZ 3.81Å
140	Q	48	Very low	40.6	Very low	52 Å²	52	94.8 Å²	94.8	24%	0.243	51%	0.507	C	S	.	.			trans	-66	135.2	173.9	-156.8	167.7	-17.1	0	0	108.3	S142 I143 D362	Q140-S142 PolarHBondContact O-N 2.8Å; Q140-I143 HydrophobicContact CB-CD1 4.48Å; Q140-I143 HydrophobicContact CB-CG1 4.46Å; Q140-I143 PolarHBondContact O-N 2.92Å; Q140-D362 PolarHBondContact NE2-OD2 3.34Å
141	K	43.6	Very low	39.7	Very low	171 Å²	171	99 Å²	99	74%	0.743	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	-35.9	-176.9	-81.9	-178.6	177.1	175.8	0	112.8	I143 F144 F145	K141-I143 VanDerWaalsContact C-N 3.28Å; K141-I143 PolarHBondContact O-N 2.88Å; K141-F144 PolarHBondContact O-N 3.32Å; K141-F145 WeakPolarHBondContact O-CD2 3.23Å; K141-F145 WeakPolarHBondContact O-CE2 3.42Å
142	S	50.4	Low	38.7	Very low	5 Å²	5	103.6 Å²	103.6	4%	0.035	55%	0.548	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-28.1	177.9	36.2	0	0	0	0	114.6	Q140 F354	Q140-S142 PolarHBondContact O-N 2.8Å; S142-F354 WeakPolarHBondContact O-CE1 3.24Å; S142-F354 WeakPolarHBondContact O-CZ 3.38Å
143	I	49.6	Very low	37.7	Very low	32 Å²	32	105.2 Å²	105.2	16%	0.164	56%	0.557	C	S	.	*	T	Hydrogen-bonded Turn	trans	-77.8	-35.1	-179	-59	-178	0	0	0	111.7	F116 I119 L120 Q140 K141 F145 V146	F116-I143 HydrophobicContact CE1-CD1 4.17Å; F116-I143 HydrophobicContact CE1-CG1 4.08Å; F116-I143 HydrophobicContact CE1-CG2 4.27Å; I119-I143 HydrophobicContact CG2-CD1 4.48Å; L120-I143 HydrophobicContact CD2-CD1 4.3Å; Q140-I143 HydrophobicContact CB-CD1 4.48Å; Q140-I143 HydrophobicContact CB-CG1 4.46Å; Q140-I143 PolarHBondContact O-N 2.92Å; K141-I143 VanDerWaalsContact C-N 3.28Å; K141-I143 PolarHBondContact O-N 2.88Å; I143-F145 PolarHBondContact O-N 2.93Å; I143-F145 VanDerWaalsContact O-N 3.09Å; I143-V146 PolarHBondContact O-N 2.91Å
144	F	42.8	Very low	36.6	Very low	149 Å²	149	104.3 Å²	104.3	65%	0.654	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.8	-178.3	-83.7	-77.2	0	0	0	114.5	A139 K141	A139-F144 HydrophobicContact CB-CD2 3.91Å; A139-F144 HydrophobicContact CB-CE2 3.31Å; A139-F144 HydrophobicContact CB-CZ 3.81Å; K141-F144 PolarHBondContact O-N 3.32Å
145	F	43.4	Very low	35.9	Very low	108 Å²	108	104.2 Å²	104.2	47%	0.474	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-10.2	-174.2	-68.7	-72.6	0	0	0	114.6	K141 I143 R147 F354 T359 A360	K141-F145 WeakPolarHBondContact O-CD2 3.23Å; K141-F145 WeakPolarHBondContact O-CE2 3.42Å; I143-F145 PolarHBondContact O-N 2.93Å; I143-F145 VanDerWaalsContact O-N 3.09Å; F145-R147 VanDerWaalsContact C-N 3.32Å; F145-R147 PolarHBondContact O-N 2.93Å; F145-F354 HydrophobicContact CB-CD2 4.08Å; F145-F354 HydrophobicContact CB-CE2 3.34Å; F145-F354 HydrophobicContact CB-CZ 3.89Å; F145-F354 HydrophobicContact CD2-CE2 4.45Å; F145-F354 HydrophobicContact CG-CE2 4.18Å; F145-T359 HydrophobicContact CB-CG2 4.44Å; F145-T359 HydrophobicContact CD1-CG2 3.9Å; F145-T359 HydrophobicContact CD2-CG2 4.14Å; F145-T359 HydrophobicContact CE1-CG2 4.16Å; F145-T359 HydrophobicContact CE2-CG2 4.4Å; F145-T359 HydrophobicContact CG-CG2 3.9Å; F145-T359 HydrophobicContact CZ-CG2 4.41Å; F145-A360 HydrophobicContact CD2-CB 3.77Å; F145-A360 HydrophobicContact CE2-CB 3.65Å
146	V	42.6	Very low	35.2	Very low	31 Å²	31	109.9 Å²	109.9	19%	0.188	57%	0.565	C	S	.	*	S	Bend	trans	-73.9	92.9	172.5	-173.8	0	0	0	0	107	I143 S148 F351 F354	I143-V146 PolarHBondContact O-N 2.91Å; V146-S148 PolarHBondContact O-N 3.36Å; V146-S148 VanDerWaalsContact O-N 3.13Å; V146-F351 HydrophobicContact CB-CZ 4.15Å; V146-F351 HydrophobicContact CG1-CD2 4.22Å; V146-F351 HydrophobicContact CG1-CE1 4.26Å; V146-F351 HydrophobicContact CG1-CE2 3.54Å; V146-F351 HydrophobicContact CG1-CZ 3.59Å; V146-F351 HydrophobicContact CG2-CD1 4.24Å; V146-F351 HydrophobicContact CG2-CE1 3.52Å; V146-F351 HydrophobicContact CG2-CE2 4.35Å; V146-F351 HydrophobicContact CG2-CZ 3.59Å; V146-F354 HydrophobicContact CG2-CD1 4.18Å; V146-F354 HydrophobicContact CG2-CE1 4.35Å
147	R	33.1	Very low	34.5	Very low	222 Å²	222	112.1 Å²	112.1	84%	0.838	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-50.4	121.1	179.2	-92.5	-177.4	168.8	176.4	-2.2	109.7	F145	F145-R147 VanDerWaalsContact C-N 3.32Å; F145-R147 PolarHBondContact O-N 2.93Å
148	S	35.2	Very low	33.9	Very low	105 Å²	105	111.9 Å²	111.9	73%	0.734	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-54	125.6	156.6	-80.8	0	0	0	0	107.8	V146 K150	V146-S148 PolarHBondContact O-N 3.36Å; V146-S148 VanDerWaalsContact O-N 3.13Å; S148-K150 PolarHBondContact O-N 2.9Å
149	P	30.5	Very low	33.2	Very low	81 Å²	81	115.9 Å²	115.9	53%	0.526	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-55.8	117.9	170	22.3	-29.5	0	0	0	106.9	I151	P149-I151 PolarHBondContact O-N 3.33Å
150	K	25	Very low	32.4	Very low	191 Å²	191	123.7 Å²	123.7	83%	0.83	62%	0.619	S	S	*	*			trans	-57.7	109.8	167.5	-78.9	-174.5	173	-172.1	0	105.8	S148 D152	S148-K150 PolarHBondContact O-N 2.9Å; K150-D152 VanDerWaalsContact C-N 3.29Å; K150-D152 PolarHBondContact O-N 3.01Å
151	I	26.4	Very low	31.3	Very low	139 Å²	139	126.4 Å²	126.4	71%	0.713	64%	0.644	S	S	*	*			trans	-66.8	99.8	165.2	-59.3	171.9	0	0	0	104.1	P149 T153	P149-I151 PolarHBondContact O-N 3.33Å; I151-T153 HydrophobicContact CG2-CG2 4.11Å; I151-T153 PolarHBondContact O-N 2.74Å; I151-T153 PolarHBondContact O-OG1 3.42Å
152	D	23	Very low	30.3	Very low	146 Å²	146	126 Å²	126	78%	0.781	65%	0.649	S	S	*	*			trans	-69.2	84	169.1	-101.7	-26.8	0	0	0	107.2	K150 T154	K150-D152 VanDerWaalsContact C-N 3.29Å; K150-D152 PolarHBondContact O-N 3.01Å; D152-T154 PolarHBondContact O-N 3.1Å
153	T	23.8	Very low	29.1	Very low	106 Å²	106	133.9 Å²	133.9	65%	0.65	69%	0.691	S	S	*	*			trans	-71.9	72.8	171.8	13.1	0	0	0	0	109.3	I151 I155	I151-T153 HydrophobicContact CG2-CG2 4.11Å; I151-T153 PolarHBondContact O-N 2.74Å; I151-T153 PolarHBondContact O-OG1 3.42Å; T153-I155 HydrophobicContact CG2-CD1 4.25Å; T153-I155 HydrophobicContact CG2-CG1 4.11Å; T153-I155 PolarHBondContact O-N 2.82Å; T153-I155 VanDerWaalsContact O-N 3.09Å
154	T	21.4	Very low	27.9	Very low	115 Å²	115	140.4 Å²	140.4	71%	0.706	72%	0.72	S	S	*	*			trans	-81.3	79.6	160	-50.7	0	0	0	0	107.3	D152 Q156	D152-T154 PolarHBondContact O-N 3.1Å; T154-Q156 VanDerWaalsContact C-N 3.33Å; T154-Q156 PolarHBondContact O-N 3.05Å
155	I	24.4	Very low	27	Very low	132 Å²	132	139.1 Å²	139.1	68%	0.677	72%	0.72	S	S	*	*			trans	-69	93.5	173.1	-59.9	172.3	0	0	0	106.8	T153 M157	T153-I155 HydrophobicContact CG2-CD1 4.25Å; T153-I155 HydrophobicContact CG2-CG1 4.11Å; T153-I155 PolarHBondContact O-N 2.82Å; T153-I155 VanDerWaalsContact O-N 3.09Å; I155-M157 PolarHBondContact O-N 2.82Å
156	Q	23	Very low	26.3	Very low	177 Å²	177	140.5 Å²	140.5	83%	0.827	73%	0.732	S	S	*	*			trans	-67.9	100.2	166.6	-80.3	-172.6	-17.3	0	0	107.8	T154 A158	T154-Q156 VanDerWaalsContact C-N 3.33Å; T154-Q156 PolarHBondContact O-N 3.05Å; Q156-A158 PolarHBondContact O-N 2.91Å
157	M	22.2	Very low	25.5	Very low	170 Å²	170	145.1 Å²	145.1	84%	0.837	76%	0.76	S	S	*	*			trans	-59.7	104.1	168.7	-64.8	-152.6	-65.9	0	0	108.5	I155 K159	I155-M157 PolarHBondContact O-N 2.82Å; M157-K159 PolarHBondContact O-N 3.05Å
158	A	23.2	Very low	25.3	Very low	75 Å²	75	143.7 Å²	143.7	62%	0.62	76%	0.76	S	S	*	*			trans	-66.7	106.2	165	0	0	0	0	0	107	Q156 E160	Q156-A158 PolarHBondContact O-N 2.91Å; A158-E160 PolarHBondContact O-N 3.44Å
159	K	23.2	Very low	25	Very low	201 Å²	201	148.1 Å²	148.1	87%	0.874	77%	0.766	S	S	*	*			trans	-63.6	102	168.2	-80.1	178.7	173.2	178.5	0	107.8	M157 S161	M157-K159 PolarHBondContact O-N 3.05Å; K159-S161 PolarHBondContact O-N 3.41Å
160	E	26.2	Very low	25.3	Very low	189 Å²	189	151.2 Å²	151.2	88%	0.883	78%	0.777	S	S	*	*			trans	-75.8	102.7	163.4	-74	-173.5	170	0	0	108	A158	A158-E160 PolarHBondContact O-N 3.44Å
161	S	23.6	Very low	25.8	Very low	109 Å²	109	150.2 Å²	150.2	76%	0.762	78%	0.775	S	S	*	*			trans	-70.3	125.2	171.7	51.6	0	0	0	0	110	K159 L163	K159-S161 PolarHBondContact O-N 3.41Å; S161-L163 PolarHBondContact O-N 2.97Å
162	N	22.9	Very low	26.5	Very low	162 Å²	162	150.9 Å²	150.9	87%	0.866	78%	0.78	S	S	*	*			trans	-44	119.8	164.6	-72.3	-48.7	0	0	0	111.8
163	L	26.4	Very low	27.5	Very low	172 Å²	172	154.8 Å²	154.8	90%	0.901	78%	0.784	S	S	*	*			trans	-141.9	113.7	154.1	-150.4	74.8	0	0	0	110.2	S161	S161-L163 PolarHBondContact O-N 2.97Å
164	H	23.8	Very low	28.8	Very low	169 Å²	169	155.6 Å²	155.6	78%	0.782	79%	0.791	S	S	*	*			trans	-64.5	151.9	170.6	-157.3	65.1	0	0	0	110.2
165	N	24.7	Very low	30.9	Very low	121 Å²	121	155.4 Å²	155.4	65%	0.647	79%	0.79	S	S	*	*			trans	95.6	125.8	166.5	-66	-7.3	0	0	0	120.1
166	D	26.8	Very low	33	Very low	138 Å²	138	151.6 Å²	151.6	74%	0.738	77%	0.774	S	S	*	*			trans	78.4	96.6	144.3	-60.2	-30.8	0	0	0	120.3
167	V	27.7	Very low	35.1	Very low	127 Å²	127	150 Å²	150	77%	0.77	77%	0.771	S	S	*	*				42.8	116	121.2	-178.1	0	0	0	0	116.8
168	K	28.3	Very low	37.5	Very low	192 Å²	192	148.6 Å²	148.6	84%	0.835	76%	0.763	S	S	*	*			trans	84.3	64.1	169.9	-65.2	177.1	178.8	-176.4	0	117.9
169	K	29.6	Very low	40.1	Very low	198 Å²	198	148.7 Å²	148.7	86%	0.861	76%	0.755	S	S	*	*			trans	-136.2	84.8	148.2	-83.6	-175.9	177	174	0	110	E171	K169-E171 VanDerWaalsContact C-N 3.26Å
170	I	35.9	Very low	42.7	Very low	146 Å²	146	142.4 Å²	142.4	75%	0.749	74%	0.737	S	S	*	*			trans	-84.2	-6.6	166.5	-67.3	173.5	0	0	0	110.5
171	E	35.4	Very low	45.2	Very low	170 Å²	170	139 Å²	139	79%	0.794	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	119.4	175.2	-70.4	178.9	163.6	0	0	111	K169	K169-E171 VanDerWaalsContact C-N 3.26Å
172	N	40.6	Very low	48	Very low	153 Å²	153	138 Å²	138	82%	0.818	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	85.1	45.8	170.3	-57.7	-19.7	0	0	0	118.2	P174	N172-P174 VanDerWaalsContact O-CD 3.25Å; N172-P174 WeakPolarHBondContact O-CD 3.44Å
173	R	44.6	Very low	50.8	Low	229 Å²	229	133.5 Å²	133.5	86%	0.864	68%	0.684	S	S	*	*			trans	-68.1	116	145.7	-109.9	-178.6	-177.3	172.4	1.2	107	T175	R173-T175 PolarHBondContact O-N 3.23Å; R173-T175 VanDerWaalsContact O-N 3.09Å
174	P	51.6	Low	53.5	Low	122 Å²	122	128.8 Å²	128.8	79%	0.792	66%	0.659	S	S	*	*			trans	-58.6	119.6	177	22.4	-30.3	0	0	0	108.6	N172	N172-P174 VanDerWaalsContact O-CD 3.25Å; N172-P174 WeakPolarHBondContact O-CD 3.44Å
175	T	64	Low	56.5	Low	112 Å²	112	127 Å²	127	69%	0.687	65%	0.649	S	S	*	*			trans	-75.5	133.3	177.7	54.1	0	0	0	0	109.5	R173 N177	R173-T175 PolarHBondContact O-N 3.23Å; R173-T175 VanDerWaalsContact O-N 3.09Å; T175-N177 PolarHBondContact OG1-OD1 3.29Å
176	C	69.6	Low	59.6	Low	51 Å²	51	127.6 Å²	127.6	35%	0.345	64%	0.643	S	S	.	*			trans	-87.6	105.3	172.3	-143.8	0	0	0	0	108.6	C333	C176-C333 HydrophobicContact CB-CB 4.22Å; C176-C333 WeakPolarHBondContact CB-SG 3.43Å; C176-C333 VanDerWaalsContact SG-CA 3.55Å; C176-C333 WeakPolarHBondContact SG-CB 3.43Å; C176-C333 CovalentContact SG-SG 2.03Å; C176-C333 PolarHBondContact SG-SG 3.49Å
177	N	67.8	Low	62.6	Low	143 Å²	143	122.5 Å²	122.5	77%	0.765	62%	0.617	S	S	*	*			trans	-97.2	-9.9	-176.6	-64.8	-8.2	0	0	0	113.5	T175	T175-N177 PolarHBondContact OG1-OD1 3.29Å
178	E	71.6	Confident	65.7	Low	142 Å²	142	121.5 Å²	121.5	66%	0.664	60%	0.602	S	S	*	*	S	Bend	trans	-116.2	-114.8	-179	-64	177.9	-177	0	0	109.2
179	T	77.7	Confident	68.7	Low	76 Å²	76	112.8 Å²	112.8	47%	0.466	57%	0.565	S	S	.	*			trans	-101.5	126.3	-176.4	-53.2	0	0	0	0	110.9	D334	T179-D334 PolarHBondContact O-N 3.41Å
180	S	78.6	Confident	71.8	Confident	70 Å²	70	109.2 Å²	109.2	49%	0.49	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.2	138.3	164	64.9	0	0	0	0	109.3	V332	S180-V332 CarbonylContact C-O 3.55Å; S180-V332 WeakPolarHBondContact CA-O 3.32Å
181	R	79.1	Confident	74.6	Confident	118 Å²	118	104 Å²	104	45%	0.445	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.4	-179.6	-170.4	-179.3	-62.5	-90.3	-4.9	109.5	T183 T331 V332 D334	R181-T183 HydrophobicContact CG-CG2 4.14Å; R181-T331 CarbonylContact O-C 3.54Å; R181-T331 WeakPolarHBondContact O-CA 3.5Å; R181-V332 HydrophobicContact CB-CG2 4.14Å; R181-V332 PolarHBondContact N-O 2.88Å; R181-V332 PolarHBondContact O-N 3.19Å; R181-D334 IonicContact NE-OD2 3.45Å; R181-D334 IonicContact NH2-OD2 2.65Å
182	T	81.7	Confident	77.4	Confident	86 Å²	86	103.3 Å²	103.3	53%	0.528	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	124.7	175.2	-59.1	0	0	0	0	109.3	I329 S330 T331	T182-I329 HydrophobicContact CG2-CG2 3.52Å; T182-S330 WeakPolarHBondContact CA-O 3.4Å; T182-T331 WeakPolarHBondContact OG1-CG2 3.16Å; T182-T331 PolarHBondContact OG1-OG1 3.26Å
183	T	81	Confident	80	Confident	68 Å²	68	97.2 Å²	97.2	42%	0.417	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	151.6	178.7	56.4	0	0	0	0	110.3	R181 S330	R181-T183 HydrophobicContact CG-CG2 4.14Å; T183-S330 PolarHBondContact N-O 2.89Å; T183-S330 PolarHBondContact O-N 3.19Å; T183-S330 PolarHBondContact OG1-OG 3.47Å
184	I	83.9	Confident	82.2	Confident	74 Å²	74	88.5 Å²	88.5	38%	0.379	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.9	175.1	-169.2	162.4	0	0	0	109.5	Y186 Y326 I329	I184-Y186 HydrophobicContact CG2-CD1 4.47Å; I184-Y186 WeakPolarHBondContact O-CD1 3.47Å; I184-Y326 HydrophobicContact CD1-CD1 3.46Å; I184-Y326 VanDerWaalsContact CD1-CD1 3.46Å; I184-Y326 HydrophobicContact CD1-CE1 4.18Å; I184-Y326 HydrophobicContact CD1-CG 3.77Å; I184-Y326 HydrophobicContact CG1-CD1 3.86Å; I184-Y326 HydrophobicContact CG1-CG 4.43Å; I184-Y326 HydrophobicContact CG2-CD1 4.44Å; I184-I329 HydrophobicContact CB-CG1 4.35Å; I184-I329 HydrophobicContact CD1-CD1 4.42Å; I184-I329 HydrophobicContact CD1-CG1 3.88Å; I184-I329 HydrophobicContact CG1-CG1 3.98Å
185	K	86.8	Confident	84.1	Confident	130 Å²	130	82.9 Å²	82.9	57%	0.565	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	129.3	170.9	-175.2	-177.2	174.5	-170.3	0	108.5	D327 E328	K185-D327 HydrophobicContact CB-CB 4.45Å; K185-D327 HydrophobicContact CD-CB 4.36Å; K185-D327 HydrophobicContact CG-CB 4.41Å; K185-D327 PolarHBondContact O-N 3.43Å; K185-E328 PolarHBondContact N-O 3.07Å
186	Y	89.5	Confident	85.2	Confident	135 Å²	135	83.5 Å²	83.5	53%	0.529	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	155.9	178.8	66.2	-94	0	0	0	112.2	I184 T324 I325	I184-Y186 HydrophobicContact CG2-CD1 4.47Å; I184-Y186 WeakPolarHBondContact O-CD1 3.47Å; Y186-T324 HydrophobicContact CD2-CG2 3.53Å; Y186-T324 HydrophobicContact CE2-CG2 4.29Å; Y186-T324 HydrophobicContact CG-CG2 3.76Å; Y186-I325 CarbonylContact C-O 3.52Å; Y186-I325 WeakPolarHBondContact CA-O 3.42Å; Y186-I325 VanDerWaalsContact CB-O 3.26Å; Y186-I325 WeakPolarHBondContact CB-O 3.44Å
187	T	89.6	Confident	86.1	Confident	31 Å²	31	85.1 Å²	85.1	19%	0.19	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	122	173.2	-63	0	0	0	0	108.6	P220 I325	T187-P220 HydrophobicContact CG2-CG 4Å; T187-I325 PolarHBondContact N-O 2.82Å; T187-I325 PolarHBondContact O-N 3.36Å
188	K	92.3	Very high	86.9	Confident	105 Å²	105	78.3 Å²	78.3	46%	0.457	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	127.5	177.9	-165.8	-178.4	-176.4	-173.2	0	110	Q190 I322 I323	K188-Q190 HydrophobicContact CD-CG 4.34Å; K188-Q190 HydrophobicContact CG-CG 4.18Å; K188-I322 HydrophobicContact CD-CG2 4.46Å; K188-I322 VanDerWaalsContact CE-CG2 3.46Å; K188-I322 HydrophobicContact CG-CG2 4.2Å; K188-I323 CarbonylContact C-O 3.54Å; K188-I323 WeakPolarHBondContact CA-O 3.28Å
189	V	92.5	Very high	87.5	Confident	9 Å²	9	74.8 Å²	74.8	6%	0.055	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.1	173.2	-170.8	0	0	0	0	107.4	F217 I322 I323 I325	V189-F217 HydrophobicContact CG1-CD2 4.01Å; V189-F217 HydrophobicContact CG1-CE2 4.34Å; V189-I322 CarbonylContact O-C 3.57Å; V189-I322 WeakPolarHBondContact O-CA 3.22Å; V189-I323 HydrophobicContact CB-CB 4.21Å; V189-I323 PolarHBondContact N-O 3.27Å; V189-I323 PolarHBondContact O-N 2.87Å; V189-I325 HydrophobicContact CG2-CD1 3.91Å; V189-I325 HydrophobicContact CG2-CG1 4.48Å
190	Q	93.7	Very high	87.7	Confident	123 Å²	123	77.1 Å²	77.1	58%	0.575	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.2	176.9	-60.4	-172.2	-94.9	0	0	108.7	K188 C321 I322	K188-Q190 HydrophobicContact CD-CG 4.34Å; K188-Q190 HydrophobicContact CG-CG 4.18Å; Q190-C321 WeakPolarHBondContact CA-O 3.39Å; Q190-I322 HydrophobicContact CG-CB 4.49Å; Q190-I322 HydrophobicContact CG-CG1 4.11Å; Q190-I322 HydrophobicContact CG-CG2 4.14Å
191	H	95.3	Very high	88	Confident	37 Å²	37	77.5 Å²	77.5	17%	0.171	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124.3	175.5	-173.1	71.7	0	0	0	109.4	F217 A320 C321	H191-F217 HydrophobicContact CB-CD1 3.92Å; H191-F217 HydrophobicContact CB-CD2 3.69Å; H191-F217 HydrophobicContact CB-CE1 3.93Å; H191-F217 HydrophobicContact CB-CE2 3.68Å; H191-F217 HydrophobicContact CB-CG 3.81Å; H191-F217 HydrophobicContact CB-CZ 3.81Å; H191-F217 AromaticContact CD2-CD1 3.58Å; H191-F217 AromaticContact CD2-CE1 3.59Å; H191-F217 AromaticContact CE1-CD1 3.91Å; H191-F217 AromaticContact CG-CD1 3.43Å; H191-F217 VanDerWaalsContact CG-CD1 3.43Å; H191-F217 AromaticContact CG-CE1 3.7Å; H191-F217 AromaticContact CG-CG 3.64Å; H191-F217 AromaticContact ND1-CD1 3.66Å; H191-F217 AromaticContact ND1-CG 3.69Å; H191-F217 AromaticContact NE2-CD1 3.88Å; H191-A320 CarbonylContact O-C 3.58Å; H191-A320 VanDerWaalsContact O-CA 3.29Å; H191-A320 WeakPolarHBondContact O-CA 3.26Å; H191-C321 PolarHBondContact N-O 3.04Å; H191-C321 PolarHBondContact O-N 2.88Å
192	R	94.4	Very high	88	Confident	155 Å²	155	72.5 Å²	72.5	59%	0.585	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	121.4	172.8	-172.3	-176.9	74.2	100.5	4.6	108	V194 T318 V319	R192-V194 VanDerWaalsContact CZ-CG2 3.43Å; R192-T318 HydrophobicContact CG-CG2 3.96Å; R192-V319 CarbonylContact C-O 3.58Å; R192-V319 WeakPolarHBondContact CA-O 3.44Å
193	W	94.6	Very high	88	Confident	26 Å²	26	71.7 Å²	71.7	10%	0.098	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	120.2	178.9	-175.9	22.5	0	0	0	109.4	I195 I212 L228 L230 L251 T318 V319	W193-I195 HydrophobicContact CD2-CD1 3.93Å; W193-I195 HydrophobicContact CD2-CG1 3.91Å; W193-I195 VanDerWaalsContact CE2-CG1 3.49Å; W193-I195 HydrophobicContact CE3-CD1 4.06Å; W193-I195 HydrophobicContact CG-CG1 4.27Å; W193-I195 HydrophobicContact CH2-CD1 3.75Å; W193-I195 HydrophobicContact CH2-CG1 4.46Å; W193-I195 HydrophobicContact CZ2-CD1 3.59Å; W193-I195 HydrophobicContact CZ2-CG1 3.82Å; W193-I195 HydrophobicContact CZ3-CD1 3.97Å; W193-I212 HydrophobicContact CH2-CG2 3.81Å; W193-I212 HydrophobicContact CZ2-CG2 3.62Å; W193-L228 HydrophobicContact CB-CD1 4.26Å; W193-L228 HydrophobicContact CE3-CB 3.74Å; W193-L228 HydrophobicContact CE3-CD1 3.98Å; W193-L228 HydrophobicContact CZ3-CB 3.82Å; W193-L230 HydrophobicContact CH2-CB 4.06Å; W193-L230 HydrophobicContact CZ3-CB 4.25Å; W193-L251 HydrophobicContact CE3-CD1 4.32Å; W193-L251 HydrophobicContact CZ3-CD1 4Å; W193-T318 WeakPolarHBondContact O-CA 3.28Å; W193-V319 PolarHBondContact N-O 2.9Å; W193-V319 PolarHBondContact O-N 2.98Å
194	V	91.6	Very high	87.9	Confident	46 Å²	46	72.5 Å²	72.5	28%	0.279	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.9	176.5	-174.6	0	0	0	0	107.6	R192 E196 V316 T318	R192-V194 VanDerWaalsContact CZ-CG2 3.43Å; V194-E196 HydrophobicContact CG1-CG 4.26Å; V194-V316 HydrophobicContact CG1-CG1 3.38Å; V194-T318 HydrophobicContact CG2-CG2 4.29Å
195	I	90.1	Very high	87.6	Confident	3 Å²	3	69.4 Å²	69.4	2%	0.015	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	99.8	178.4	-52	170.6	0	0	0	107.2	W193 F198 I212 L230 V316 L317	W193-I195 HydrophobicContact CD2-CD1 3.93Å; W193-I195 HydrophobicContact CD2-CG1 3.91Å; W193-I195 VanDerWaalsContact CE2-CG1 3.49Å; W193-I195 HydrophobicContact CE3-CD1 4.06Å; W193-I195 HydrophobicContact CG-CG1 4.27Å; W193-I195 HydrophobicContact CH2-CD1 3.75Å; W193-I195 HydrophobicContact CH2-CG1 4.46Å; W193-I195 HydrophobicContact CZ2-CD1 3.59Å; W193-I195 HydrophobicContact CZ2-CG1 3.82Å; W193-I195 HydrophobicContact CZ3-CD1 3.97Å; I195-F198 HydrophobicContact CB-CD2 4.45Å; I195-F198 HydrophobicContact CG2-CB 4.39Å; I195-F198 HydrophobicContact CG2-CD2 3.99Å; I195-I212 HydrophobicContact CD1-CG2 4.41Å; I195-L230 HydrophobicContact CD1-CD2 4.45Å; I195-V316 CarbonylContact O-C 3.53Å; I195-V316 WeakPolarHBondContact O-CA 2.86Å; I195-L317 HydrophobicContact CB-CB 4.34Å; I195-L317 HydrophobicContact CD1-CD2 4.23Å; I195-L317 PolarHBondContact N-O 2.96Å; I195-L317 PolarHBondContact O-N 2.59Å
196	E	88.6	Confident	86.9	Confident	125 Å²	125	68.2 Å²	68.2	58%	0.584	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	149.2	174.3	-61.5	176.9	159.4	0	0	110.8	V194 F198 Q201 V316	V194-E196 HydrophobicContact CG1-CG 4.26Å; E196-F198 PolarHBondContact O-N 2.72Å; E196-Q201 PolarHBondContact O-NE2 2.98Å; E196-V316 HydrophobicContact CG-CG1 4.41Å; E196-V316 HydrophobicContact CG-CG2 4.26Å
197	N	87.5	Confident	86.3	Confident	86 Å²	86	68.5 Å²	68.5	46%	0.46	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	46.7	-173	-54.8	-28	0	0	0	111.2	H199 E200 Q201 D315	N197-H199 VanDerWaalsContact C-N 3.32Å; N197-H199 PolarHBondContact O-N 3.02Å; N197-E200 HydrophobicContact CB-CB 4.18Å; N197-E200 HydrophobicContact CB-CG 4.47Å; N197-E200 PolarHBondContact O-N 2.88Å; N197-E200 VanDerWaalsContact O-N 3.1Å; N197-Q201 WeakPolarHBondContact O-CG 3.46Å; N197-Q201 PolarHBondContact O-N 2.96Å; N197-D315 VanDerWaalsContact C-OD2 3.31Å; N197-D315 WeakPolarHBondContact CA-O 3.5Å; N197-D315 VanDerWaalsContact CA-OD2 3.23Å; N197-D315 WeakPolarHBondContact CA-OD2 3.31Å; N197-D315 PolarHBondContact N-O 2.81Å
198	F	85.3	Confident	85.5	Confident	0 Å²	0	74 Å²	74	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-53.1	-46.3	-171.3	170.9	-111	0	0	0	112.6	I195 E196 E200 Q201 E202 L230 L308 D315 L317	I195-F198 HydrophobicContact CB-CD2 4.45Å; I195-F198 HydrophobicContact CG2-CB 4.39Å; I195-F198 HydrophobicContact CG2-CD2 3.99Å; E196-F198 PolarHBondContact O-N 2.72Å; F198-E200 PolarHBondContact O-N 2.79Å; F198-Q201 PolarHBondContact O-N 2.84Å; F198-E202 WeakPolarHBondContact O-CB 3.44Å; F198-E202 PolarHBondContact O-N 2.94Å; F198-L230 HydrophobicContact CE2-CD2 3.48Å; F198-L230 VanDerWaalsContact CE2-CD2 3.48Å; F198-L230 HydrophobicContact CZ-CD2 4.12Å; F198-L308 HydrophobicContact CE1-CD2 3.7Å; F198-L308 HydrophobicContact CZ-CD2 3.89Å; F198-D315 WeakPolarHBondContact CB-OD1 3.48Å; F198-D315 PolarHBondContact N-O 3.11Å; F198-D315 PolarHBondContact N-OD1 2.86Å; F198-L317 HydrophobicContact CB-CB 4.09Å; F198-L317 HydrophobicContact CD1-CB 4.35Å; F198-L317 HydrophobicContact CD2-CB 3.92Å; F198-L317 HydrophobicContact CD2-CD2 3.76Å; F198-L317 HydrophobicContact CE1-CD2 4.35Å; F198-L317 HydrophobicContact CE2-CD2 3.55Å; F198-L317 HydrophobicContact CG-CB 3.82Å; F198-L317 HydrophobicContact CG-CD2 4.27Å; F198-L317 HydrophobicContact CZ-CD2 3.87Å
199	H	83.4	Confident	84.6	Confident	68 Å²	68	72.9 Å²	72.9	32%	0.315	36%	0.358	S	S	.	.	H	α-helix	trans	-66.5	-36.1	179.9	-66.3	91.4	0	0	0	112.3	N197 S203 D309 D315	N197-H199 VanDerWaalsContact C-N 3.32Å; N197-H199 PolarHBondContact O-N 3.02Å; H199-S203 WeakPolarHBondContact O-CB 3.16Å; H199-S203 PolarHBondContact O-N 2.98Å; H199-S203 PolarHBondContact O-OG 2.89Å; H199-D309 IonicContact NE2-OD1 3.69Å; H199-D309 PolarHBondContact NE2-OD1 2.84Å; H199-D315 IonicContact CE1-OD1 3.83Å; H199-D315 IonicContact CG-OD1 3.83Å; H199-D315 PolarHBondContact N-OD1 3.22Å; H199-D315 IonicContact ND1-OD1 2.99Å; H199-D315 PolarHBondContact ND1-OD1 2.82Å
200	E	83.5	Confident	83.9	Confident	125 Å²	125	76.4 Å²	76.4	58%	0.584	38%	0.379	S	S	*	.	H	α-helix	trans	-68.5	-43.3	173.6	-67	-167.9	159.8	0	0	111.5	N197 F198 E202 S203 L204	N197-E200 HydrophobicContact CB-CB 4.18Å; N197-E200 HydrophobicContact CB-CG 4.47Å; N197-E200 PolarHBondContact O-N 2.88Å; N197-E200 VanDerWaalsContact O-N 3.1Å; F198-E200 PolarHBondContact O-N 2.79Å; E200-E202 VanDerWaalsContact C-N 3.32Å; E200-E202 PolarHBondContact O-N 3.07Å; E200-S203 PolarHBondContact O-N 3.49Å; E200-L204 WeakPolarHBondContact O-CB 3.31Å; E200-L204 WeakPolarHBondContact O-CG 3.4Å; E200-L204 PolarHBondContact O-N 2.85Å
201	Q	84.1	Confident	83.1	Confident	77 Å²	77	73.3 Å²	73.3	36%	0.36	37%	0.37	S	S	.	.	H	α-helix	trans	-61.4	-41.2	175.6	-67.5	-158.2	24.5	0	0	111.6	E196 N197 F198 L204 Q205 I212	E196-Q201 PolarHBondContact O-NE2 2.98Å; N197-Q201 WeakPolarHBondContact O-CG 3.46Å; N197-Q201 PolarHBondContact O-N 2.96Å; F198-Q201 PolarHBondContact O-N 2.84Å; Q201-L204 PolarHBondContact O-N 2.85Å; Q201-Q205 WeakPolarHBondContact O-CB 3.27Å; Q201-Q205 PolarHBondContact O-N 2.83Å; Q201-I212 HydrophobicContact CB-CD1 3.91Å
202	E	79.7	Confident	82.7	Confident	14 Å²	14	72.3 Å²	72.3	7%	0.065	37%	0.365	C	S	.	.	H	α-helix	trans	-63.2	-43.6	175.3	-176.1	170.6	-128	0	0	111.2	F198 E200 L204 Q205 K206 N232 R249	F198-E202 WeakPolarHBondContact O-CB 3.44Å; F198-E202 PolarHBondContact O-N 2.94Å; E200-E202 VanDerWaalsContact C-N 3.32Å; E200-E202 PolarHBondContact O-N 3.07Å; E202-L204 VanDerWaalsContact C-N 3.34Å; E202-L204 PolarHBondContact O-N 2.85Å; E202-Q205 WeakPolarHBondContact O-CB 3.48Å; E202-Q205 PolarHBondContact O-N 2.98Å; E202-K206 WeakPolarHBondContact O-CG 3.38Å; E202-K206 PolarHBondContact O-N 3.26Å; E202-N232 PolarHBondContact OE1-ND2 3.29Å; E202-N232 VanDerWaalsContact OE1-ND2 3.14Å; E202-R249 IonicContact OE1-CZ 2.84Å; E202-R249 IonicContact OE1-NE 2.78Å; E202-R249 PolarHBondContact OE1-NE 2.92Å; E202-R249 IonicContact OE1-NH2 3.22Å; E202-R249 PolarHBondContact OE1-NH2 3.02Å; E202-R249 IonicContact OE2-CZ 3.55Å; E202-R249 IonicContact OE2-NE 3.99Å; E202-R249 IonicContact OE2-NH2 3.93Å; E202-R249 PolarHBondContact OE2-NH2 2.94Å
203	S	80.9	Confident	82.6	Confident	69 Å²	69	69.5 Å²	69.5	48%	0.483	36%	0.359	S	S	.	.	H	α-helix	trans	-61.8	-41.6	176	-61.1	0	0	0	0	111.9	H199 E200 K206 L207	H199-S203 WeakPolarHBondContact O-CB 3.16Å; H199-S203 PolarHBondContact O-N 2.98Å; H199-S203 PolarHBondContact O-OG 2.89Å; E200-S203 PolarHBondContact O-N 3.49Å; S203-K206 PolarHBondContact O-N 3.39Å; S203-L207 PolarHBondContact O-N 3.27Å
204	L	78.2	Confident	82.6	Confident	84 Å²	84	68.6 Å²	68.6	44%	0.44	36%	0.357	S	S	.	.	H	α-helix	trans	-67.5	-36.1	175.6	-73.4	174	0	0	0	112.9	E200 Q201 E202 K206 L207 K208	E200-L204 WeakPolarHBondContact O-CB 3.31Å; E200-L204 WeakPolarHBondContact O-CG 3.4Å; E200-L204 PolarHBondContact O-N 2.85Å; Q201-L204 PolarHBondContact O-N 2.85Å; E202-L204 VanDerWaalsContact C-N 3.34Å; E202-L204 PolarHBondContact O-N 2.85Å; L204-K206 VanDerWaalsContact C-N 3.3Å; L204-K206 PolarHBondContact O-N 3.09Å; L204-L207 PolarHBondContact O-N 3Å; L204-K208 WeakPolarHBondContact O-CB 3.37Å; L204-K208 PolarHBondContact O-N 2.79Å
205	Q	78.1	Confident	82.7	Confident	9 Å²	9	69.9 Å²	69.9	4%	0.042	37%	0.372	C	S	.	.	H	α-helix	trans	-58.8	-42.9	174.3	169.1	173.4	32.6	0	0	110.9	Q201 E202 L207 S209 V210 I212 L230	Q201-Q205 WeakPolarHBondContact O-CB 3.27Å; Q201-Q205 PolarHBondContact O-N 2.83Å; E202-Q205 WeakPolarHBondContact O-CB 3.48Å; E202-Q205 PolarHBondContact O-N 2.98Å; Q205-L207 VanDerWaalsContact C-N 3.32Å; Q205-L207 PolarHBondContact O-N 3.05Å; Q205-S209 WeakPolarHBondContact O-CA 3.26Å; Q205-S209 PolarHBondContact O-N 3.32Å; Q205-V210 WeakPolarHBondContact CG-O 3.34Å; Q205-I212 HydrophobicContact CB-CD1 4.17Å; Q205-I212 HydrophobicContact CB-CG1 4.04Å; Q205-I212 HydrophobicContact CG-CG1 4.41Å; Q205-I212 VanDerWaalsContact OE1-CD1 3.24Å; Q205-L230 PolarHBondContact NE2-O 3.18Å; Q205-L230 VanDerWaalsContact NE2-O 3.09Å
206	K	72.4	Confident	82.9	Confident	105 Å²	105	75.6 Å²	75.6	46%	0.457	40%	0.399	S	S	.	.	H	α-helix	trans	-63.7	-35.2	176.5	-63.4	-175.6	-172.2	-153.6	0	113	E202 S203 L204 E234	E202-K206 WeakPolarHBondContact O-CG 3.38Å; E202-K206 PolarHBondContact O-N 3.26Å; S203-K206 PolarHBondContact O-N 3.39Å; L204-K206 VanDerWaalsContact C-N 3.3Å; L204-K206 PolarHBondContact O-N 3.09Å; K206-E234 IonicContact NZ-OE2 3.01Å; K206-E234 PolarHBondContact NZ-OE2 3.25Å
207	L	76.1	Confident	83.2	Confident	141 Å²	141	70.7 Å²	70.7	74%	0.738	38%	0.375	S	S	*	.	H	α-helix	trans	-78.3	-41.3	-180	-82.2	150.6	0	0	0	113.3	S203 L204 Q205	S203-L207 PolarHBondContact O-N 3.27Å; L204-L207 PolarHBondContact O-N 3Å; Q205-L207 VanDerWaalsContact C-N 3.32Å; Q205-L207 PolarHBondContact O-N 3.05Å
208	K	73.8	Confident	83.4	Confident	148 Å²	148	68.4 Å²	68.4	64%	0.643	37%	0.369	S	S	*	.	H	α-helix	trans	-93.8	-11.5	-173.7	-67.1	-176.3	178.2	177.4	0	113.6	L204 V210	L204-K208 WeakPolarHBondContact O-CB 3.37Å; L204-K208 PolarHBondContact O-N 2.79Å; K208-V210 HydrophobicContact CB-CG2 4.18Å; K208-V210 PolarHBondContact O-N 3.48Å
209	S	72.8	Confident	83.6	Confident	80 Å²	80	68.5 Å²	68.5	56%	0.559	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	30.1	-173.6	-59.2	0	0	0	0	113.6	Q205 M235	Q205-S209 WeakPolarHBondContact O-CA 3.26Å; Q205-S209 PolarHBondContact O-N 3.32Å; S209-M235 WeakPolarHBondContact O-CE 3.09Å
210	V	77.1	Confident	83.8	Confident	83 Å²	83	70 Å²	70	50%	0.503	39%	0.385	S	S	.	.			trans	-108.4	127.1	179.1	177.4	0	0	0	0	109.3	Q205 K208	Q205-V210 WeakPolarHBondContact CG-O 3.34Å; K208-V210 HydrophobicContact CB-CG2 4.18Å; K208-V210 PolarHBondContact O-N 3.48Å
211	P	78.2	Confident	83.9	Confident	59 Å²	59	67.2 Å²	67.2	38%	0.383	37%	0.374	S	S	.	.			trans	-67.1	139	179.1	28	-34.2	0	0	0	112	Q213 V229	P211-Q213 PolarHBondContact O-N 2.97Å; P211-V229 HydrophobicContact CB-CG1 3.84Å
212	I	87.3	Confident	84	Confident	15 Å²	15	71.5 Å²	71.5	8%	0.077	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	121.1	169.7	-58.3	170.9	0	0	0	107.1	W193 I195 Q201 Q205 L230	W193-I212 HydrophobicContact CH2-CG2 3.81Å; W193-I212 HydrophobicContact CZ2-CG2 3.62Å; I195-I212 HydrophobicContact CD1-CG2 4.41Å; Q201-I212 HydrophobicContact CB-CD1 3.91Å; Q205-I212 HydrophobicContact CB-CD1 4.17Å; Q205-I212 HydrophobicContact CB-CG1 4.04Å; Q205-I212 HydrophobicContact CG-CG1 4.41Å; Q205-I212 VanDerWaalsContact OE1-CD1 3.24Å; I212-L230 HydrophobicContact CB-CB 4.32Å; I212-L230 PolarHBondContact O-N 2.92Å
213	Q	91.8	Very high	84.2	Confident	96 Å²	96	75.5 Å²	75.5	45%	0.449	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	148.1	-176.9	62.3	-175.9	-21	0	0	110.9	P211 L228 V229	P211-Q213 PolarHBondContact O-N 2.97Å; Q213-L228 CarbonylContact C-O 3.58Å; Q213-L228 VanDerWaalsContact CA-O 3.23Å; Q213-L228 WeakPolarHBondContact CA-O 3.47Å; Q213-V229 HydrophobicContact CB-CG2 4.3Å
214	S	94.5	Very high	84.5	Confident	8 Å²	8	72.7 Å²	72.7	6%	0.056	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-72.4	168.2	172.5	74.9	0	0	0	0	111	L228	S214-L228 PolarHBondContact N-O 3.09Å; S214-L228 PolarHBondContact OG-N 3.4Å
215	A	94	Very high	85	Confident	72 Å²	72	73.2 Å²	73.2	60%	0.595	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-57.3	151.8	160.3	0	0	0	0	0	110.4	F217	A215-F217 WeakPolarHBondContact O-CD1 3.29Å
216	E	94.1	Very high	85.7	Confident	124 Å²	124	72.8 Å²	72.8	58%	0.579	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-67.8	134.4	169.8	-60.1	-174.8	-178.4	0	0	109.5	F226 L256	E216-F226 WeakPolarHBondContact CA-O 3.44Å; E216-L256 HydrophobicContact CB-CD1 4.32Å; E216-L256 VanDerWaalsContact CD-CD1 3.46Å; E216-L256 HydrophobicContact CG-CD1 3.66Å
217	F	94.6	Very high	86.8	Confident	22 Å²	22	69.9 Å²	69.9	10%	0.096	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	155.6	175.1	58.8	-84.7	0	0	0	109.7	V189 H191 A215 K225 F226 L228 L253 I323	V189-F217 HydrophobicContact CG1-CD2 4.01Å; V189-F217 HydrophobicContact CG1-CE2 4.34Å; H191-F217 HydrophobicContact CB-CD1 3.92Å; H191-F217 HydrophobicContact CB-CD2 3.69Å; H191-F217 HydrophobicContact CB-CE1 3.93Å; H191-F217 HydrophobicContact CB-CE2 3.68Å; H191-F217 HydrophobicContact CB-CG 3.81Å; H191-F217 HydrophobicContact CB-CZ 3.81Å; H191-F217 AromaticContact CD2-CD1 3.58Å; H191-F217 AromaticContact CD2-CE1 3.59Å; H191-F217 AromaticContact CE1-CD1 3.91Å; H191-F217 AromaticContact CG-CD1 3.43Å; H191-F217 VanDerWaalsContact CG-CD1 3.43Å; H191-F217 AromaticContact CG-CE1 3.7Å; H191-F217 AromaticContact CG-CG 3.64Å; H191-F217 AromaticContact ND1-CD1 3.66Å; H191-F217 AromaticContact ND1-CG 3.69Å; H191-F217 AromaticContact NE2-CD1 3.88Å; A215-F217 WeakPolarHBondContact O-CD1 3.29Å; F217-K225 CarbonylContact O-C 3.59Å; F217-K225 WeakPolarHBondContact O-CA 3.44Å; F217-F226 HydrophobicContact CD2-CB 3.99Å; F217-F226 HydrophobicContact CD2-CD2 4.33Å; F217-F226 HydrophobicContact CE1-CB 4.1Å; F217-F226 HydrophobicContact CE2-CB 3.55Å; F217-F226 HydrophobicContact CE2-CD2 4.14Å; F217-F226 HydrophobicContact CE2-CG 4.15Å; F217-F226 HydrophobicContact CG-CB 4.46Å; F217-F226 HydrophobicContact CZ-CB 3.6Å; F217-F226 PolarHBondContact N-O 3.22Å; F217-F226 PolarHBondContact O-N 2.77Å; F217-L228 HydrophobicContact CE1-CG 4.12Å; F217-L228 HydrophobicContact CZ-CG 4.32Å; F217-L253 HydrophobicContact CZ-CD1 3.95Å; F217-I323 HydrophobicContact CE2-CD1 3.87Å; F217-I323 HydrophobicContact CZ-CD1 4.43Å
218	A	91.4	Very high	87.6	Confident	38 Å²	38	63.1 Å²	63.1	31%	0.314	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	161	-173.9	0	0	0	0	0	111.6	H224 K225	A218-H224 CarbonylContact C-O 3.58Å; A218-H224 WeakPolarHBondContact CA-O 3.27Å; A218-H224 WeakPolarHBondContact CB-O 3.26Å; A218-K225 HydrophobicContact CB-CG 4.07Å
219	S	88.9	Confident	88.5	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.014	31%	0.307	C	S	.	.			trans	-58.6	153	163.1	54.9	0	0	0	0	110.7	D221 K222 R223 H224	S219-D221 VanDerWaalsContact CB-OD1 3.28Å; S219-D221 WeakPolarHBondContact CB-OD1 3.25Å; S219-D221 PolarHBondContact O-N 3.32Å; S219-D221 VanDerWaalsContact O-N 3.15Å; S219-D221 PolarHBondContact OG-OD1 3.39Å; S219-K222 WeakPolarHBondContact O-CA 3.29Å; S219-K222 PolarHBondContact O-N 2.8Å; S219-R223 PolarHBondContact OG-N 2.86Å; S219-H224 PolarHBondContact N-O 3.34Å; S219-H224 PolarHBondContact OG-N 2.86Å; S219-H224 PolarHBondContact OG-O 3.49Å
220	P	89.1	Confident	89.3	Confident	100 Å²	100	53 Å²	53	65%	0.649	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-35.4	179.7	-29.9	34.6	0	0	0	114.8	T187 K222	T187-P220 HydrophobicContact CG2-CG 4Å; P220-K222 VanDerWaalsContact C-N 3.25Å; P220-K222 PolarHBondContact O-N 3.13Å
221	D	84.8	Confident	89.5	Confident	65 Å²	65	52.2 Å²	52.2	35%	0.348	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-1.4	176.5	59.9	13.8	0	0	0	114	S219 R223	S219-D221 VanDerWaalsContact CB-OD1 3.28Å; S219-D221 WeakPolarHBondContact CB-OD1 3.25Å; S219-D221 PolarHBondContact O-N 3.32Å; S219-D221 VanDerWaalsContact O-N 3.15Å; S219-D221 PolarHBondContact OG-OD1 3.39Å; D221-R223 HydrophobicContact CB-CG 4.44Å; D221-R223 PolarHBondContact O-N 3.17Å; D221-R223 WeakPolarHBondContact OD1-CB 3.37Å; D221-R223 PolarHBondContact OD1-N 3.12Å; D221-R223 IonicContact OD1-NE 2.66Å; D221-R223 IonicContact OD2-CZ 2.55Å; D221-R223 IonicContact OD2-NE 2.59Å; D221-R223 PolarHBondContact OD2-NE 2.67Å; D221-R223 IonicContact OD2-NH2 3.54Å; D221-R223 PolarHBondContact OD2-NH2 3.3Å
222	K	85.6	Confident	89.3	Confident	168 Å²	168	49.9 Å²	49.9	73%	0.73	26%	0.256	S	S	*	.	S	Bend	trans	60.9	14.7	-178.1	-53.4	-179.9	-179.6	178.5	0	115	S219 P220	S219-K222 WeakPolarHBondContact O-CA 3.29Å; S219-K222 PolarHBondContact O-N 2.8Å; P220-K222 VanDerWaalsContact C-N 3.25Å; P220-K222 PolarHBondContact O-N 3.13Å
223	R	84.1	Confident	88	Confident	97 Å²	97	50.8 Å²	50.8	37%	0.366	26%	0.263	S	S	.	.	S	Bend	trans	-70.3	-42.6	176.9	-72.2	-170.2	-72	176.8	4.5	112	S219 D221 T257 D327	S219-R223 PolarHBondContact OG-N 2.86Å; D221-R223 HydrophobicContact CB-CG 4.44Å; D221-R223 PolarHBondContact O-N 3.17Å; D221-R223 WeakPolarHBondContact OD1-CB 3.37Å; D221-R223 PolarHBondContact OD1-N 3.12Å; D221-R223 IonicContact OD1-NE 2.66Å; D221-R223 IonicContact OD2-CZ 2.55Å; D221-R223 IonicContact OD2-NE 2.59Å; D221-R223 PolarHBondContact OD2-NE 2.67Å; D221-R223 IonicContact OD2-NH2 3.54Å; D221-R223 PolarHBondContact OD2-NH2 3.3Å; R223-T257 VanDerWaalsContact O-CG2 3.24Å; R223-T257 WeakPolarHBondContact O-CG2 3.44Å; R223-T257 PolarHBondContact O-OG1 3.11Å; R223-T257 VanDerWaalsContact O-OG1 3.07Å; R223-D327 IonicContact CZ-OD1 2.79Å; R223-D327 IonicContact NH1-OD1 3.96Å; R223-D327 IonicContact NH2-OD1 2.61Å; R223-D327 PolarHBondContact NH2-OD1 3.48Å; R223-D327 IonicContact NH2-OD2 3.8Å
224	H	86.7	Confident	86.4	Confident	10 Å²	10	51.1 Å²	51.1	5%	0.046	26%	0.264	C	S	.	.			trans	-112.9	126.7	-176.8	-52.9	-71.3	0	0	0	110.8	A218 S219 F226 T257 I325	A218-H224 CarbonylContact C-O 3.58Å; A218-H224 WeakPolarHBondContact CA-O 3.27Å; A218-H224 WeakPolarHBondContact CB-O 3.26Å; S219-H224 PolarHBondContact N-O 3.34Å; S219-H224 PolarHBondContact OG-N 2.86Å; S219-H224 PolarHBondContact OG-O 3.49Å; H224-F226 HydrophobicContact CB-CE1 4.45Å; H224-F226 HydrophobicContact CB-CE2 3.56Å; H224-F226 HydrophobicContact CB-CZ 3.5Å; H224-T257 WeakPolarHBondContact CA-OG1 3.33Å; H224-I325 HydrophobicContact CB-CD1 4.18Å
225	K	90.6	Very high	84.4	Confident	96 Å²	96	54 Å²	54	42%	0.417	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	141.7	174.2	-70.8	-174.7	178.5	-173.9	0	110.5	F217 A218 L256 T257	F217-K225 CarbonylContact O-C 3.59Å; F217-K225 WeakPolarHBondContact O-CA 3.44Å; A218-K225 HydrophobicContact CB-CG 4.07Å; K225-L256 HydrophobicContact CB-CB 3.93Å; K225-L256 HydrophobicContact CB-CD1 4.47Å; K225-L256 PolarHBondContact O-N 2.78Å; K225-T257 PolarHBondContact N-OG1 3.4Å
226	F	92.7	Very high	82.4	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	159.2	-174.5	-55.8	-76.8	0	0	0	111.3	E216 F217 H224 L253 H254 L262 I299 I323 I325	E216-F226 WeakPolarHBondContact CA-O 3.44Å; F217-F226 HydrophobicContact CD2-CB 3.99Å; F217-F226 HydrophobicContact CD2-CD2 4.33Å; F217-F226 HydrophobicContact CE1-CB 4.1Å; F217-F226 HydrophobicContact CE2-CB 3.55Å; F217-F226 HydrophobicContact CE2-CD2 4.14Å; F217-F226 HydrophobicContact CE2-CG 4.15Å; F217-F226 HydrophobicContact CG-CB 4.46Å; F217-F226 HydrophobicContact CZ-CB 3.6Å; F217-F226 PolarHBondContact N-O 3.22Å; F217-F226 PolarHBondContact O-N 2.77Å; H224-F226 HydrophobicContact CB-CE1 4.45Å; H224-F226 HydrophobicContact CB-CE2 3.56Å; H224-F226 HydrophobicContact CB-CZ 3.5Å; F226-L253 HydrophobicContact CB-CD1 4Å; F226-L253 HydrophobicContact CD1-CD1 4.3Å; F226-L253 HydrophobicContact CG-CD1 4.43Å; F226-H254 CarbonylContact C-O 3.58Å; F226-H254 VanDerWaalsContact CA-O 3.22Å; F226-H254 WeakPolarHBondContact CA-O 3.3Å; F226-L262 HydrophobicContact CE1-CD2 3.73Å; F226-L262 HydrophobicContact CZ-CD2 4.05Å; F226-I299 HydrophobicContact CD1-CD1 4.23Å; F226-I299 HydrophobicContact CE1-CD1 3.97Å; F226-I323 HydrophobicContact CB-CD1 4.42Å; F226-I323 HydrophobicContact CD1-CD1 4Å; F226-I323 HydrophobicContact CD2-CD1 3.8Å; F226-I323 HydrophobicContact CE1-CD1 4.17Å; F226-I323 HydrophobicContact CE2-CD1 3.98Å; F226-I323 HydrophobicContact CG-CD1 3.8Å; F226-I323 HydrophobicContact CZ-CD1 4.16Å; F226-I323 HydrophobicContact CZ-CG2 4.49Å; F226-I325 HydrophobicContact CE2-CD1 4.05Å; F226-I325 HydrophobicContact CZ-CD1 4.01Å
227	K	94.2	Very high	80.1	Confident	43 Å²	43	54.9 Å²	54.9	19%	0.187	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	152.7	163.4	65.7	179.1	-173.2	174.9	0	110.5	V229 H254 L256	K227-V229 HydrophobicContact CG-CG2 4.4Å; K227-H254 HydrophobicContact CG-CB 3.98Å; K227-H254 PolarHBondContact N-O 3.08Å; K227-H254 PolarHBondContact O-N 3.38Å; K227-L256 HydrophobicContact CB-CD1 4.48Å; K227-L256 HydrophobicContact CD-CD1 4.32Å; K227-L256 HydrophobicContact CD-CD2 4.08Å; K227-L256 HydrophobicContact CG-CD1 4.35Å; K227-L256 HydrophobicContact CG-CD2 4.21Å; K227-L256 HydrophobicContact CG-CG 4.46Å
228	L	94.3	Very high	77.8	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	144.1	170	-63.6	170.1	0	0	0	109.5	W193 Q213 S214 F217 L251 L252 L253 F268 C321	W193-L228 HydrophobicContact CB-CD1 4.26Å; W193-L228 HydrophobicContact CE3-CB 3.74Å; W193-L228 HydrophobicContact CE3-CD1 3.98Å; W193-L228 HydrophobicContact CZ3-CB 3.82Å; Q213-L228 CarbonylContact C-O 3.58Å; Q213-L228 VanDerWaalsContact CA-O 3.23Å; Q213-L228 WeakPolarHBondContact CA-O 3.47Å; S214-L228 PolarHBondContact N-O 3.09Å; S214-L228 PolarHBondContact OG-N 3.4Å; F217-L228 HydrophobicContact CE1-CG 4.12Å; F217-L228 HydrophobicContact CZ-CG 4.32Å; L228-L251 HydrophobicContact CB-CD1 4.28Å; L228-L251 HydrophobicContact CD2-CD1 4.44Å; L228-L252 CarbonylContact C-O 3.54Å; L228-L252 VanDerWaalsContact CA-O 3.3Å; L228-L252 WeakPolarHBondContact CA-O 3.39Å; L228-L253 HydrophobicContact CD2-CB 4.17Å; L228-L253 HydrophobicContact CD2-CD1 3.82Å; L228-F268 HydrophobicContact CD2-CE1 3.82Å; L228-C321 HydrophobicContact CD1-CB 3.94Å; L228-C321 HydrophobicContact CD2-CB 3.96Å; L228-C321 HydrophobicContact CG-CB 4.41Å
229	V	91.4	Very high	75.7	Confident	12 Å²	12	62.7 Å²	62.7	7%	0.073	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	125.7	175.9	-178	0	0	0	0	108	P211 Q213 K227 L252	P211-V229 HydrophobicContact CB-CG1 3.84Å; Q213-V229 HydrophobicContact CB-CG2 4.3Å; K227-V229 HydrophobicContact CG-CG2 4.4Å; V229-L252 HydrophobicContact CB-CB 4.46Å; V229-L252 PolarHBondContact N-O 3.02Å; V229-L252 PolarHBondContact O-N 3.09Å
230	L	89.2	Confident	73.5	Confident	4 Å²	4	68.9 Å²	68.9	2%	0.021	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	116.8	171.5	-177.4	65.4	0	0	0	109.2	W193 I195 F198 Q205 I212 L304	W193-L230 HydrophobicContact CH2-CB 4.06Å; W193-L230 HydrophobicContact CZ3-CB 4.25Å; I195-L230 HydrophobicContact CD1-CD2 4.45Å; F198-L230 HydrophobicContact CE2-CD2 3.48Å; F198-L230 VanDerWaalsContact CE2-CD2 3.48Å; F198-L230 HydrophobicContact CZ-CD2 4.12Å; Q205-L230 PolarHBondContact NE2-O 3.18Å; Q205-L230 VanDerWaalsContact NE2-O 3.09Å; I212-L230 HydrophobicContact CB-CB 4.32Å; I212-L230 PolarHBondContact O-N 2.92Å; L230-L304 HydrophobicContact CD1-CD1 3.49Å; L230-L304 VanDerWaalsContact CD1-CD1 3.49Å; L230-L304 HydrophobicContact CD1-CG 4.48Å
231	Q	81.4	Confident	71.5	Confident	66 Å²	66	72.6 Å²	72.6	31%	0.308	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.8	-177.5	-166.9	171.2	43.2	0	0	111	F236 S250 L252	Q231-F236 VanDerWaalsContact NE2-CE2 3.27Å; Q231-S250 PolarHBondContact N-O 3.35Å; Q231-S250 PolarHBondContact O-N 3.17Å; Q231-L252 HydrophobicContact CB-CD1 4.31Å
232	N	74.6	Confident	69.4	Low	10 Å²	10	78.7 Å²	78.7	5%	0.053	39%	0.392	C	S	.	.			trans	-102.7	126.2	170	-167.6	-31.3	0	0	0	108.7	E202 E234 M235	E202-N232 PolarHBondContact OE1-ND2 3.29Å; E202-N232 VanDerWaalsContact OE1-ND2 3.14Å; N232-E234 PolarHBondContact O-N 3.46Å; N232-E234 PolarHBondContact OD1-N 3.01Å; N232-M235 WeakPolarHBondContact O-CB 3.46Å; N232-M235 PolarHBondContact O-N 3.06Å
233	P	59.9	Low	67.3	Low	34 Å²	34	74.5 Å²	74.5	22%	0.221	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-61.7	-23.2	-176.7	21	-32.5	0	0	0	114.3	M235 F236 I239 A247 K248	P233-M235 PolarHBondContact O-N 3.02Å; P233-F236 PolarHBondContact O-N 2.98Å; P233-I239 HydrophobicContact CB-CD1 4.12Å; P233-I239 WeakPolarHBondContact O-CD1 3.48Å; P233-A247 HydrophobicContact CG-CB 3.84Å; P233-K248 VanDerWaalsContact CD-O 3.24Å; P233-K248 WeakPolarHBondContact CD-O 3.47Å; P233-K248 WeakPolarHBondContact CG-O 3.26Å
234	E	58.8	Low	65.5	Low	102 Å²	102	72.5 Å²	72.5	48%	0.477	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-61.4	-11.8	178.1	-66.5	-179.4	167.9	0	0	114	K206 N232 A247	K206-E234 IonicContact NZ-OE2 3.01Å; K206-E234 PolarHBondContact NZ-OE2 3.25Å; N232-E234 PolarHBondContact O-N 3.46Å; N232-E234 PolarHBondContact OD1-N 3.01Å; E234-A247 HydrophobicContact CG-CB 4.34Å
235	M	52.2	Low	63.5	Low	70 Å²	70	83.6 Å²	83.6	35%	0.345	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-68.6	-32	176.8	-77.9	-76	-73.7	0	0	114.2	S209 N232 P233 G237	S209-M235 WeakPolarHBondContact O-CE 3.09Å; N232-M235 WeakPolarHBondContact O-CB 3.46Å; N232-M235 PolarHBondContact O-N 3.06Å; P233-M235 PolarHBondContact O-N 3.02Å; M235-G237 PolarHBondContact O-N 2.93Å
236	F	50.9	Low	61.4	Low	142 Å²	142	85.6 Å²	85.6	62%	0.623	43%	0.434	S	S	*	.	S	Bend	trans	-91.4	95.1	176.6	-62.8	-75.8	0	0	0	107.7	Q231 P233 N238	Q231-F236 VanDerWaalsContact NE2-CE2 3.27Å; P233-F236 PolarHBondContact O-N 2.98Å; F236-N238 PolarHBondContact O-N 2.85Å
237	G	47.2	Very low	59.4	Low	72 Å²	72	87.4 Å²	87.4	74%	0.742	45%	0.448	S	S	*	.	S	Bend	trans	-61.2	25.1	-171.1	0	0	0	0	0	118	M235	M235-G237 PolarHBondContact O-N 2.93Å
238	N	44.9	Very low	58.1	Low	157 Å²	157	90 Å²	90	84%	0.84	46%	0.46	S	S	*	.			trans	-117.8	56.7	172.6	-74.1	-17.3	0	0	0	110.3	F236	F236-N238 PolarHBondContact O-N 2.85Å
239	I	47	Very low	57.4	Low	67 Å²	67	92.2 Å²	92.2	34%	0.344	47%	0.468	S	S	.	.			trans	-116.1	106.8	170.7	-57.9	-177.7	0	0	0	107.2	P233 T243	P233-I239 HydrophobicContact CB-CD1 4.12Å; P233-I239 WeakPolarHBondContact O-CD1 3.48Å; I239-T243 WeakPolarHBondContact CG2-OG1 3.25Å
240	N	43.6	Very low	57.1	Low	132 Å²	132	93.1 Å²	93.1	71%	0.706	48%	0.475	S	S	*	.			trans	-53	140.3	171.4	-63	-19.8	0	0	0	109.3	Q242 T243	N240-Q242 PolarHBondContact O-N 2.88Å; N240-T243 PolarHBondContact O-N 2.86Å; N240-T243 PolarHBondContact O-OG1 2.9Å
241	E	46.2	Very low	57.2	Low	177 Å²	177	93 Å²	93	83%	0.827	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-22.1	-174.3	-66.5	-178.6	160.3	0	0	114.9	S244	E241-S244 WeakPolarHBondContact CA-OG 3.39Å; E241-S244 PolarHBondContact O-N 2.98Å
242	Q	41.4	Very low	57.6	Low	193 Å²	193	90.3 Å²	90.3	90%	0.902	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-26.2	176.4	-75.6	-173.5	-32.7	0	0	114.2	N240	N240-Q242 PolarHBondContact O-N 2.88Å
243	T	41.9	Very low	58.3	Low	81 Å²	81	89.9 Å²	89.9	50%	0.497	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-10.4	175.5	34.6	0	0	0	0	113.2	I239 N240 R245 Q246	I239-T243 WeakPolarHBondContact CG2-OG1 3.25Å; N240-T243 PolarHBondContact O-N 2.86Å; N240-T243 PolarHBondContact O-OG1 2.9Å; T243-R245 PolarHBondContact O-N 3.45Å; T243-R245 VanDerWaalsContact O-N 3.13Å; T243-Q246 PolarHBondContact O-N 2.8Å
244	S	46.4	Very low	59.8	Low	55 Å²	55	90.2 Å²	90.2	39%	0.385	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-57.6	-29	-179.7	-56.7	0	0	0	0	113.9	E241 Q246	E241-S244 WeakPolarHBondContact CA-OG 3.39Å; E241-S244 PolarHBondContact O-N 2.98Å; S244-Q246 VanDerWaalsContact C-N 3.26Å; S244-Q246 PolarHBondContact O-N 2.99Å
245	R	43.9	Very low	61.2	Low	243 Å²	243	85.8 Å²	85.8	92%	0.917	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-76.8	-6.7	178.8	-68.7	-169.7	-179.4	-165.2	0.5	114.7	T243	T243-R245 PolarHBondContact O-N 3.45Å; T243-R245 VanDerWaalsContact O-N 3.13Å
246	Q	48.2	Very low	62.9	Low	138 Å²	138	84.7 Å²	84.7	65%	0.645	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-119	32.6	176.4	-69.8	-172	-11	0	0	112.2	T243 S244 K248	T243-Q246 PolarHBondContact O-N 2.8Å; S244-Q246 VanDerWaalsContact C-N 3.26Å; S244-Q246 PolarHBondContact O-N 2.99Å; Q246-K248 VanDerWaalsContact C-N 3.28Å; Q246-K248 PolarHBondContact O-N 2.87Å
247	A	50	Low	64.3	Low	37 Å²	37	79.2 Å²	79.2	31%	0.306	41%	0.412	S	S	.	.			trans	-60.7	89	171.2	0	0	0	0	0	110.4	P233 E234	P233-A247 HydrophobicContact CG-CB 3.84Å; E234-A247 HydrophobicContact CG-CB 4.34Å
248	K	66.7	Low	65.5	Low	97 Å²	97	80.1 Å²	80.1	42%	0.422	40%	0.4	S	S	.	.			trans	-83.8	115.4	179.8	-83.4	170.6	173.7	-174.8	0	109.2	P233 Q246 T303	P233-K248 VanDerWaalsContact CD-O 3.24Å; P233-K248 WeakPolarHBondContact CD-O 3.47Å; P233-K248 WeakPolarHBondContact CG-O 3.26Å; Q246-K248 VanDerWaalsContact C-N 3.28Å; Q246-K248 PolarHBondContact O-N 2.87Å; K248-T303 HydrophobicContact CB-CG2 3.59Å; K248-T303 HydrophobicContact CD-CG2 3.94Å; K248-T303 HydrophobicContact CG-CG2 3.76Å
249	R	79.2	Confident	66.5	Low	47 Å²	47	76.9 Å²	76.9	18%	0.177	39%	0.389	C	S	.	.			trans	-62.2	136.4	171.8	-63.4	174.7	178.8	105.3	-10.2	109.3	E202 T303 L304	E202-R249 IonicContact OE1-CZ 2.84Å; E202-R249 IonicContact OE1-NE 2.78Å; E202-R249 PolarHBondContact OE1-NE 2.92Å; E202-R249 IonicContact OE1-NH2 3.22Å; E202-R249 PolarHBondContact OE1-NH2 3.02Å; E202-R249 IonicContact OE2-CZ 3.55Å; E202-R249 IonicContact OE2-NE 3.99Å; E202-R249 IonicContact OE2-NH2 3.93Å; E202-R249 PolarHBondContact OE2-NH2 2.94Å; R249-T303 CarbonylContact O-C 3.6Å; R249-T303 WeakPolarHBondContact O-CA 3.46Å; R249-L304 HydrophobicContact CB-CB 4.19Å; R249-L304 HydrophobicContact CB-CD1 4.26Å; R249-L304 PolarHBondContact O-N 2.86Å
250	S	86.1	Confident	67.7	Low	31 Å²	31	78.2 Å²	78.2	22%	0.217	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129.4	-178.1	-66.4	0	0	0	0	110.9	Q231 V302	Q231-S250 PolarHBondContact N-O 3.35Å; Q231-S250 PolarHBondContact O-N 3.17Å; S250-V302 CarbonylContact C-O 3.53Å; S250-V302 WeakPolarHBondContact CA-O 3.3Å
251	L	89.7	Confident	69.4	Low	1 Å²	1	75.6 Å²	75.6	1%	0.005	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	119.3	171	176.8	73.4	0	0	0	108.5	W193 L228 F268 G301 V302 L304 V319	W193-L251 HydrophobicContact CE3-CD1 4.32Å; W193-L251 HydrophobicContact CZ3-CD1 4Å; L228-L251 HydrophobicContact CB-CD1 4.28Å; L228-L251 HydrophobicContact CD2-CD1 4.44Å; L251-F268 HydrophobicContact CD2-CB 4.26Å; L251-F268 HydrophobicContact CD2-CD1 3.47Å; L251-F268 VanDerWaalsContact CD2-CD1 3.47Å; L251-F268 HydrophobicContact CD2-CE1 4.01Å; L251-F268 HydrophobicContact CD2-CG 4.05Å; L251-F268 HydrophobicContact CG-CD1 4.27Å; L251-F268 HydrophobicContact CG-CE1 4.33Å; L251-G301 CarbonylContact O-C 3.58Å; L251-G301 VanDerWaalsContact O-CA 3.29Å; L251-G301 WeakPolarHBondContact O-CA 3.14Å; L251-V302 HydrophobicContact CB-CG1 4.11Å; L251-V302 HydrophobicContact CD2-CG1 4.28Å; L251-V302 PolarHBondContact N-O 3.09Å; L251-V302 PolarHBondContact O-N 3.3Å; L251-L304 HydrophobicContact CB-CD2 4.05Å; L251-L304 HydrophobicContact CB-CG 4.31Å; L251-V319 HydrophobicContact CD1-CG1 4.29Å; L251-V319 HydrophobicContact CD2-CG1 3.35Å; L251-V319 HydrophobicContact CG-CG1 4.45Å
252	L	89.7	Confident	71	Confident	11 Å²	11	67.4 Å²	67.4	6%	0.058	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	140.9	-177.6	-52.6	-177.8	0	0	0	110.5	L228 V229 Q231 E298 A300	L228-L252 CarbonylContact C-O 3.54Å; L228-L252 VanDerWaalsContact CA-O 3.3Å; L228-L252 WeakPolarHBondContact CA-O 3.39Å; V229-L252 HydrophobicContact CB-CB 4.46Å; V229-L252 PolarHBondContact N-O 3.02Å; V229-L252 PolarHBondContact O-N 3.09Å; Q231-L252 HydrophobicContact CB-CD1 4.31Å; L252-E298 HydrophobicContact CB-CG 4.36Å; L252-E298 HydrophobicContact CD1-CG 4.5Å; L252-E298 HydrophobicContact CD2-CG 4.42Å; L252-A300 CarbonylContact C-O 3.59Å; L252-A300 WeakPolarHBondContact CA-O 2.99Å
253	L	91.2	Very high	73.2	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.1	168.9	177.1	68.4	0	0	0	108.7	F217 F226 L228 V266 F268 I299 A300 I323	F217-L253 HydrophobicContact CZ-CD1 3.95Å; F226-L253 HydrophobicContact CB-CD1 4Å; F226-L253 HydrophobicContact CD1-CD1 4.3Å; F226-L253 HydrophobicContact CG-CD1 4.43Å; L228-L253 HydrophobicContact CD2-CB 4.17Å; L228-L253 HydrophobicContact CD2-CD1 3.82Å; L253-V266 HydrophobicContact CD2-CB 4.37Å; L253-V266 HydrophobicContact CD2-CG1 3.7Å; L253-V266 HydrophobicContact CD2-CG2 3.68Å; L253-F268 HydrophobicContact CB-CE1 4.03Å; L253-F268 HydrophobicContact CB-CZ 3.72Å; L253-I299 HydrophobicContact CB-CG1 4.29Å; L253-I299 HydrophobicContact CD2-CD1 3.68Å; L253-I299 HydrophobicContact CD2-CG1 3.92Å; L253-I299 HydrophobicContact CG-CD1 3.97Å; L253-I299 HydrophobicContact CG-CG1 3.87Å; L253-I299 WeakPolarHBondContact O-CG1 3.42Å; L253-I299 PolarHBondContact O-N 2.98Å; L253-A300 HydrophobicContact CB-CB 4.3Å; L253-A300 PolarHBondContact N-O 3.01Å; L253-A300 PolarHBondContact O-N 2.84Å; L253-I323 HydrophobicContact CD1-CD1 4.03Å; L253-I323 HydrophobicContact CD2-CD1 3.77Å; L253-I323 HydrophobicContact CD2-CG1 4.04Å
254	H	90.1	Very high	75.3	Confident	42 Å²	42	57.1 Å²	57.1	19%	0.194	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	137.6	176.1	-72.7	-156.5	0	0	0	110.3	F226 K227 G297	F226-H254 CarbonylContact C-O 3.58Å; F226-H254 VanDerWaalsContact CA-O 3.22Å; F226-H254 WeakPolarHBondContact CA-O 3.3Å; K227-H254 HydrophobicContact CG-CB 3.98Å; K227-H254 PolarHBondContact N-O 3.08Å; K227-H254 PolarHBondContact O-N 3.38Å; H254-G297 CarbonylContact C-O 3.46Å; H254-G297 WeakPolarHBondContact CA-O 3.45Å
255	T	88.5	Confident	77.4	Confident	9 Å²	9	57.1 Å²	57.1	6%	0.055	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	140.9	164.2	-175.5	0	0	0	0	109.8	T257 A295 V296 G297 I299	T255-T257 PolarHBondContact OG1-N 2.77Å; T255-T257 PolarHBondContact OG1-O 3.39Å; T255-A295 WeakPolarHBondContact CG2-O 3.41Å; T255-V296 WeakPolarHBondContact O-CA 3.35Å; T255-G297 PolarHBondContact N-O 3.23Å; T255-G297 PolarHBondContact O-N 3.5Å; T255-I299 HydrophobicContact CG2-CG2 3.48Å; T255-I299 VanDerWaalsContact CG2-CG2 3.48Å
256	L	87.1	Confident	79.6	Confident	46 Å²	46	45.5 Å²	45.5	24%	0.241	24%	0.244	C	C	.	.			trans	-110.3	-6.2	177.6	-55.1	177.1	0	0	0	112.3	E216 K225 K227	E216-L256 HydrophobicContact CB-CD1 4.32Å; E216-L256 VanDerWaalsContact CD-CD1 3.46Å; E216-L256 HydrophobicContact CG-CD1 3.66Å; K225-L256 HydrophobicContact CB-CB 3.93Å; K225-L256 HydrophobicContact CB-CD1 4.47Å; K225-L256 PolarHBondContact O-N 2.78Å; K227-L256 HydrophobicContact CB-CD1 4.48Å; K227-L256 HydrophobicContact CD-CD1 4.32Å; K227-L256 HydrophobicContact CD-CD2 4.08Å; K227-L256 HydrophobicContact CG-CD1 4.35Å; K227-L256 HydrophobicContact CG-CD2 4.21Å; K227-L256 HydrophobicContact CG-CG 4.46Å
257	T	81.2	Confident	81.6	Confident	27 Å²	27	41 Å²	41	17%	0.166	22%	0.223	C	C	.	.			trans	-96.6	134.2	176.6	-57.8	0	0	0	0	110.3	R223 H224 K225 T255 S259	R223-T257 VanDerWaalsContact O-CG2 3.24Å; R223-T257 WeakPolarHBondContact O-CG2 3.44Å; R223-T257 PolarHBondContact O-OG1 3.11Å; R223-T257 VanDerWaalsContact O-OG1 3.07Å; H224-T257 WeakPolarHBondContact CA-OG1 3.33Å; K225-T257 PolarHBondContact N-OG1 3.4Å; T255-T257 PolarHBondContact OG1-N 2.77Å; T255-T257 PolarHBondContact OG1-O 3.39Å; T257-S259 VanDerWaalsContact CG2-OG 3.23Å; T257-S259 WeakPolarHBondContact CG2-OG 3.18Å
258	D	73	Confident	83.6	Confident	92 Å²	92	39.2 Å²	39.2	49%	0.492	21%	0.208	S	C	.	.			trans	-106.1	-3.4	178.7	-162.7	32.4	0	0	0	114.4	A295 V296	D258-A295 PolarHBondContact OD1-N 2.87Å; D258-A295 VanDerWaalsContact OD1-N 3.17Å; D258-V296 HydrophobicContact CB-CG2 4.14Å
259	S	65.4	Low	84.7	Confident	88 Å²	88	35.4 Å²	35.4	62%	0.615	19%	0.193	S	C	*	.	S	Bend	trans	-84.3	-25.4	-162.3	56.1	0	0	0	0	115.7	T257	T257-S259 VanDerWaalsContact CG2-OG 3.23Å; T257-S259 WeakPolarHBondContact CG2-OG 3.18Å
260	E	72.1	Confident	85.1	Confident	95 Å²	95	33.2 Å²	33.2	44%	0.444	18%	0.184	S	C	.	.	S	Bend	trans	-139.4	147.5	-170.6	-66.1	-175.1	173.8	0	0	112.5	L262	E260-L262 PolarHBondContact O-N 3.28Å
261	V	79.1	Confident	85	Confident	77 Å²	77	32.5 Å²	32.5	47%	0.467	18%	0.18	S	C	.	.			trans	-64	116.7	173.3	175	0	0	0	0	108	K291 K292 P293	V261-K291 HydrophobicContact CG1-CD 4.49Å; V261-K291 HydrophobicContact CG1-CG 3.82Å; V261-K292 CarbonylContact C-O 3.59Å; V261-K292 VanDerWaalsContact CA-O 3.31Å; V261-K292 WeakPolarHBondContact CA-O 3.44Å; V261-P293 HydrophobicContact CG2-CB 4.37Å; V261-P293 WeakPolarHBondContact CG2-O 3.08Å
262	L	81.1	Confident	84.3	Confident	6 Å²	6	34.7 Å²	34.7	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	116.1	179	-179.3	66.8	0	0	0	109.5	F226 E260 C264 K291 K292 I299 I325	F226-L262 HydrophobicContact CE1-CD2 3.73Å; F226-L262 HydrophobicContact CZ-CD2 4.05Å; E260-L262 PolarHBondContact O-N 3.28Å; L262-C264 HydrophobicContact CD1-CB 4.34Å; L262-C264 HydrophobicContact CG-CB 4.32Å; L262-K291 CarbonylContact O-C 3.55Å; L262-K291 WeakPolarHBondContact O-CA 3.14Å; L262-K292 PolarHBondContact N-O 3.33Å; L262-K292 PolarHBondContact O-N 3.42Å; L262-I299 HydrophobicContact CD2-CD1 3.86Å; L262-I325 HydrophobicContact CD1-CD1 4.31Å; L262-I325 HydrophobicContact CD1-CG1 4.17Å; L262-I325 HydrophobicContact CD1-CG2 3.77Å
263	T	85.9	Confident	83.2	Confident	56 Å²	56	36.8 Å²	36.8	34%	0.344	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	114.3	168.3	-51.5	0	0	0	0	108.4	L290 Y326	T263-L290 WeakPolarHBondContact CA-O 3.42Å; T263-Y326 HydrophobicContact CG2-CD2 4.38Å; T263-Y326 PolarHBondContact O-N 3.04Å
264	C	87.6	Confident	81.5	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.007	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	160.4	-175.6	64.9	0	0	0	0	113.6	L262 H289 L290 I323 T324 I325	L262-C264 HydrophobicContact CD1-CB 4.34Å; L262-C264 HydrophobicContact CG-CB 4.32Å; C264-H289 WeakPolarHBondContact O-CA 3.38Å; C264-L290 PolarHBondContact N-O 2.88Å; C264-L290 PolarHBondContact O-N 3.07Å; C264-I323 HydrophobicContact CB-CG2 3.97Å; C264-T324 CarbonylContact C-O 3.58Å; C264-T324 WeakPolarHBondContact CA-O 3.46Å; C264-T324 VanDerWaalsContact CB-O 3.27Å; C264-T324 WeakPolarHBondContact CB-O 3.23Å; C264-I325 HydrophobicContact CB-CG1 4.37Å
265	K	89.2	Confident	79.9	Confident	55 Å²	55	43.5 Å²	43.5	24%	0.239	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.3	164.3	174.9	-174.4	174.9	176.6	0	108.6	I287 I288 I323 T324 Y326	K265-I287 HydrophobicContact CD-CG2 4.15Å; K265-I287 VanDerWaalsContact CE-CG2 3.41Å; K265-I287 HydrophobicContact CG-CG2 3.92Å; K265-I288 CarbonylContact C-O 3.37Å; K265-I288 WeakPolarHBondContact CA-O 3.48Å; K265-I323 CarbonylContact O-C 3.59Å; K265-I323 WeakPolarHBondContact O-CA 3.45Å; K265-T324 PolarHBondContact N-O 3.42Å; K265-T324 PolarHBondContact O-N 3.45Å; K265-Y326 HydrophobicContact CB-CE2 3.84Å; K265-Y326 WeakPolarHBondContact CB-OH 3.4Å
266	V	89.6	Confident	78.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	137.7	174.7	-178.9	0	0	0	0	108.6	L253 F268 A286 I287 I288 L290 A300 I322 I323	L253-V266 HydrophobicContact CD2-CB 4.37Å; L253-V266 HydrophobicContact CD2-CG1 3.7Å; L253-V266 HydrophobicContact CD2-CG2 3.68Å; V266-F268 HydrophobicContact CG1-CD2 4.22Å; V266-F268 HydrophobicContact CG1-CE1 4.11Å; V266-F268 HydrophobicContact CG1-CE2 3.67Å; V266-F268 HydrophobicContact CG1-CZ 3.62Å; V266-A286 CarbonylContact C-O 3.58Å; V266-I287 CarbonylContact O-C 3.58Å; V266-I287 VanDerWaalsContact O-CA 3.22Å; V266-I287 WeakPolarHBondContact O-CA 3.41Å; V266-I288 PolarHBondContact N-O 3.08Å; V266-I288 PolarHBondContact O-N 2.99Å; V266-L290 HydrophobicContact CG2-CD2 3.81Å; V266-A300 HydrophobicContact CB-CB 4.25Å; V266-A300 HydrophobicContact CG1-CB 4.16Å; V266-A300 HydrophobicContact CG2-CB 4.23Å; V266-I322 CarbonylContact C-O 3.6Å; V266-I322 WeakPolarHBondContact CA-O 3.25Å; V266-I323 HydrophobicContact CG2-CG2 4.37Å
267	Q	91.9	Very high	76.8	Confident	43 Å²	43	54.8 Å²	54.8	20%	0.201	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	125.3	173.5	178.5	-179	-28.3	0	0	109.9	N269 A286 I287 I322	Q267-N269 WeakPolarHBondContact CG-OD1 3.14Å; Q267-N269 PolarHBondContact NE2-ND2 2.78Å; Q267-N269 PolarHBondContact NE2-OD1 2.79Å; Q267-A286 VanDerWaalsContact CA-O 3.26Å; Q267-A286 WeakPolarHBondContact CA-O 3.26Å; Q267-A286 HydrophobicContact CG-CB 4.5Å; Q267-I287 HydrophobicContact CB-CG1 4.3Å; Q267-I287 HydrophobicContact CG-CG1 4.15Å; Q267-I322 HydrophobicContact CB-CB 4.3Å; Q267-I322 PolarHBondContact N-O 3.21Å; Q267-I322 PolarHBondContact O-N 3.23Å
268	F	91.3	Very high	75.8	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	128.1	173.1	-58.1	-76.5	0	0	0	111.7	L228 L251 L253 V266 P282 L283 A286 I288 A300 V302 A320 C321	L228-F268 HydrophobicContact CD2-CE1 3.82Å; L251-F268 HydrophobicContact CD2-CB 4.26Å; L251-F268 HydrophobicContact CD2-CD1 3.47Å; L251-F268 VanDerWaalsContact CD2-CD1 3.47Å; L251-F268 HydrophobicContact CD2-CE1 4.01Å; L251-F268 HydrophobicContact CD2-CG 4.05Å; L251-F268 HydrophobicContact CG-CD1 4.27Å; L251-F268 HydrophobicContact CG-CE1 4.33Å; L253-F268 HydrophobicContact CB-CE1 4.03Å; L253-F268 HydrophobicContact CB-CZ 3.72Å; V266-F268 HydrophobicContact CG1-CD2 4.22Å; V266-F268 HydrophobicContact CG1-CE1 4.11Å; V266-F268 HydrophobicContact CG1-CE2 3.67Å; V266-F268 HydrophobicContact CG1-CZ 3.62Å; F268-P282 WeakPolarHBondContact O-CA 3.4Å; F268-L283 HydrophobicContact CB-CD1 3.99Å; F268-L283 PolarHBondContact O-N 3.15Å; F268-A286 HydrophobicContact CB-CB 4.3Å; F268-A286 PolarHBondContact N-O 3.08Å; F268-A286 WeakPolarHBondContact O-CB 3.33Å; F268-I288 HydrophobicContact CE2-CD1 4.35Å; F268-A300 HydrophobicContact CE2-CB 4.05Å; F268-A300 HydrophobicContact CZ-CB 4.08Å; F268-V302 HydrophobicContact CB-CG1 3.82Å; F268-V302 HydrophobicContact CD2-CB 3.94Å; F268-V302 HydrophobicContact CD2-CG1 3.56Å; F268-V302 HydrophobicContact CE2-CB 4.4Å; F268-V302 HydrophobicContact CE2-CG1 4.19Å; F268-V302 HydrophobicContact CG-CG1 3.73Å; F268-A320 WeakPolarHBondContact CA-O 3.49Å; F268-C321 HydrophobicContact CD1-CB 4.23Å; F268-C321 HydrophobicContact CE1-CB 4.36Å
269	N	90.2	Very high	75.6	Confident	17 Å²	17	59 Å²	59	9%	0.091	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	148.7	174	-59.8	-10.1	0	0	0	109.8	Q267 M280 Q281 P282 V319 A320	Q267-N269 WeakPolarHBondContact CG-OD1 3.14Å; Q267-N269 PolarHBondContact NE2-ND2 2.78Å; Q267-N269 PolarHBondContact NE2-OD1 2.79Å; N269-M280 HydrophobicContact CB-CB 4.4Å; N269-M280 HydrophobicContact CB-CE 3.69Å; N269-Q281 CarbonylContact C-O 3.53Å; N269-Q281 WeakPolarHBondContact CA-O 3.45Å; N269-Q281 WeakPolarHBondContact CB-O 3.3Å; N269-P282 VanDerWaalsContact OD1-CA 3.26Å; N269-P282 WeakPolarHBondContact OD1-CA 3.25Å; N269-V319 CarbonylContact O-C 3.48Å; N269-V319 WeakPolarHBondContact O-CA 2.96Å; N269-A320 HydrophobicContact CB-CB 4.43Å; N269-A320 PolarHBondContact N-O 2.75Å; N269-A320 PolarHBondContact O-N 3.27Å
270	I	87.9	Confident	76.2	Confident	0 Å²	0	58 Å²	58	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	143.7	173.3	-168.8	174	0	0	0	108.8	Y272 Q281 L283 L308 L317	I270-Y272 HydrophobicContact CG2-CD2 3.9Å; I270-Y272 HydrophobicContact CG2-CE2 3.16Å; I270-Q281 PolarHBondContact N-O 2.98Å; I270-Q281 PolarHBondContact O-N 2.61Å; I270-L283 HydrophobicContact CB-CD2 4.1Å; I270-L283 HydrophobicContact CB-CG 4.31Å; I270-L283 HydrophobicContact CG2-CD2 3.55Å; I270-L283 HydrophobicContact CG2-CG 4.08Å; I270-L308 HydrophobicContact CD1-CD1 4.17Å; I270-L317 HydrophobicContact CD1-CD1 3.74Å; I270-L317 HydrophobicContact CG1-CD1 4.02Å
271	A	83.9	Confident	76.6	Confident	17 Å²	17	57.6 Å²	57.6	14%	0.14	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	129.4	173.7	0	0	0	0	0	109.7	M280 I311 T318	A271-M280 VanDerWaalsContact CA-SD 3.51Å; A271-M280 HydrophobicContact CB-SD 3.51Å; A271-M280 VanDerWaalsContact CB-SD 3.51Å; A271-I311 WeakPolarHBondContact O-CG2 3.37Å; A271-T318 HydrophobicContact CB-CG2 4.22Å; A271-T318 PolarHBondContact N-O 3.03Å
272	Y	74.6	Confident	76.7	Confident	47 Å²	47	57.6 Å²	57.6	18%	0.184	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	142.7	170.3	-69.3	-96.3	0	0	0	110.5	I270 N274 S279 Q281 I311	I270-Y272 HydrophobicContact CG2-CD2 3.9Å; I270-Y272 HydrophobicContact CG2-CE2 3.16Å; Y272-N274 PolarHBondContact O-N 2.76Å; Y272-S279 PolarHBondContact N-O 2.81Å; Y272-Q281 HydrophobicContact CD2-CB 3.78Å; Y272-Q281 HydrophobicContact CD2-CG 3.87Å; Y272-Q281 HydrophobicContact CE2-CB 3.66Å; Y272-Q281 HydrophobicContact CE2-CG 4.2Å; Y272-I311 HydrophobicContact CD1-CB 4.28Å; Y272-I311 HydrophobicContact CD1-CD1 4.06Å; Y272-I311 HydrophobicContact CD1-CG1 3.85Å; Y272-I311 HydrophobicContact CD1-CG2 3.43Å; Y272-I311 VanDerWaalsContact CD1-CG2 3.43Å; Y272-I311 HydrophobicContact CE1-CD1 3.49Å; Y272-I311 VanDerWaalsContact CE1-CD1 3.49Å; Y272-I311 HydrophobicContact CE1-CG1 3.82Å; Y272-I311 HydrophobicContact CE1-CG2 3.86Å; Y272-I311 HydrophobicContact CG-CG2 3.96Å
273	T	66.1	Low	76.7	Confident	55 Å²	55	57.8 Å²	57.8	34%	0.337	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	96.2	170.4	43.4	0	0	0	0	110.5	I311 D313	T273-I311 WeakPolarHBondContact CG2-O 3.32Å; T273-I311 PolarHBondContact OG1-O 3.21Å; T273-D313 HydrophobicContact CG2-CB 3.33Å
274	N	56.6	Low	76	Confident	114 Å²	114	64 Å²	64	61%	0.61	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	74.9	171.5	-85.1	-5.2	0	0	0	109.3	Y272	Y272-N274 PolarHBondContact O-N 2.76Å
275	G	55.3	Low	74.8	Confident	68 Å²	68	66.4 Å²	66.4	70%	0.701	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	-168.1	-171.6	0	0	0	0	0	111.8	Q277	G275-Q277 PolarHBondContact O-N 2.84Å
276	S	55	Low	73.9	Confident	137 Å²	137	63.9 Å²	63.9	96%	0.958	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	14	-170.3	51.8	0	0	0	0	116.3
277	Q	56.6	Low	73	Confident	156 Å²	156	67.8 Å²	67.8	73%	0.729	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121	120.2	172.2	-68.2	-161	-28.1	0	0	110.7	G275 S279	G275-Q277 PolarHBondContact O-N 2.84Å; Q277-S279 PolarHBondContact O-N 3.34Å
278	E	59	Low	72.1	Confident	155 Å²	155	67.9 Å²	67.9	72%	0.724	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	113.8	168.9	-68.7	-175.4	166.9	0	0	109.3
279	S	70.3	Confident	71.2	Confident	52 Å²	52	70.5 Å²	70.5	36%	0.364	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122	172.7	-166.8	0	0	0	0	109.7	Y272 Q277	Y272-S279 PolarHBondContact N-O 2.81Å; Q277-S279 PolarHBondContact O-N 3.34Å
280	M	77.4	Confident	70.6	Confident	67 Å²	67	70.9 Å²	70.9	33%	0.33	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	118.9	175.7	-66.4	-67	-61.4	0	0	109.4	N269 A271 T318 A320	N269-M280 HydrophobicContact CB-CB 4.4Å; N269-M280 HydrophobicContact CB-CE 3.69Å; A271-M280 VanDerWaalsContact CA-SD 3.51Å; A271-M280 HydrophobicContact CB-SD 3.51Å; A271-M280 VanDerWaalsContact CB-SD 3.51Å; M280-T318 HydrophobicContact SD-CG2 4.39Å; M280-A320 HydrophobicContact CE-CB 3.45Å; M280-A320 VanDerWaalsContact CE-CB 3.45Å
281	Q	80.1	Confident	70	Confident	86 Å²	86	78.4 Å²	78.4	40%	0.402	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	146	174.5	-57.9	-169.8	-18.1	0	0	111.3	N269 I270 Y272	N269-Q281 CarbonylContact C-O 3.53Å; N269-Q281 WeakPolarHBondContact CA-O 3.45Å; N269-Q281 WeakPolarHBondContact CB-O 3.3Å; I270-Q281 PolarHBondContact N-O 2.98Å; I270-Q281 PolarHBondContact O-N 2.61Å; Y272-Q281 HydrophobicContact CD2-CB 3.78Å; Y272-Q281 HydrophobicContact CD2-CG 3.87Å; Y272-Q281 HydrophobicContact CE2-CB 3.66Å; Y272-Q281 HydrophobicContact CE2-CG 4.2Å
282	P	82.1	Confident	69.4	Low	77 Å²	77	80.7 Å²	80.7	50%	0.5	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	138.7	173.9	28.9	-33.4	0	0	0	110.8	F268 N269 A286	F268-P282 WeakPolarHBondContact O-CA 3.4Å; N269-P282 VanDerWaalsContact OD1-CA 3.26Å; N269-P282 WeakPolarHBondContact OD1-CA 3.25Å; P282-A286 HydrophobicContact CB-CB 4.33Å
283	L	79.6	Confident	68.9	Low	10 Å²	10	82.4 Å²	82.4	5%	0.052	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-69.6	156.4	173.6	-71.2	168.5	0	0	0	111.2	F268 I270 G285 A286 V302 L304 P305	F268-L283 HydrophobicContact CB-CD1 3.99Å; F268-L283 PolarHBondContact O-N 3.15Å; I270-L283 HydrophobicContact CB-CD2 4.1Å; I270-L283 HydrophobicContact CB-CG 4.31Å; I270-L283 HydrophobicContact CG2-CD2 3.55Å; I270-L283 HydrophobicContact CG2-CG 4.08Å; L283-G285 PolarHBondContact O-N 3.1Å; L283-A286 HydrophobicContact CB-CB 4.07Å; L283-A286 WeakPolarHBondContact O-CB 3.23Å; L283-A286 PolarHBondContact O-N 2.55Å; L283-V302 HydrophobicContact CB-CG1 4.48Å; L283-V302 HydrophobicContact CB-CG2 3.9Å; L283-V302 HydrophobicContact CD1-CG1 3.6Å; L283-V302 HydrophobicContact CD1-CG2 4.4Å; L283-L304 HydrophobicContact CD1-CD2 3.69Å; L283-P305 HydrophobicContact CD2-CG 3.85Å
284	H	71.7	Confident	68.9	Low	186 Å²	186	89.1 Å²	89.1	86%	0.861	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	127	175	-175.7	-81	0	0	0	110.4	A286 V302	H284-A286 PolarHBondContact O-N 3.36Å; H284-V302 WeakPolarHBondContact O-CG2 3.21Å
285	G	63.1	Low	69.1	Low	52 Å²	52	85.8 Å²	85.8	54%	0.536	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	16.5	-172.9	0	0	0	0	0	113.9	L283 I287	L283-G285 PolarHBondContact O-N 3.1Å; G285-I287 VanDerWaalsContact C-N 3.25Å; G285-I287 PolarHBondContact O-N 3.23Å
286	A	69	Low	69.8	Low	3 Å²	3	86.6 Å²	86.6	3%	0.025	46%	0.459	C	S	.	.			trans	-62.7	-28.4	-176.2	0	0	0	0	0	114.4	V266 Q267 F268 P282 L283 H284	V266-A286 CarbonylContact C-O 3.58Å; Q267-A286 VanDerWaalsContact CA-O 3.26Å; Q267-A286 WeakPolarHBondContact CA-O 3.26Å; Q267-A286 HydrophobicContact CG-CB 4.5Å; F268-A286 HydrophobicContact CB-CB 4.3Å; F268-A286 PolarHBondContact N-O 3.08Å; F268-A286 WeakPolarHBondContact O-CB 3.33Å; P282-A286 HydrophobicContact CB-CB 4.33Å; L283-A286 HydrophobicContact CB-CB 4.07Å; L283-A286 WeakPolarHBondContact O-CB 3.23Å; L283-A286 PolarHBondContact O-N 2.55Å; H284-A286 PolarHBondContact O-N 3.36Å
287	I	71.9	Confident	71.1	Confident	81 Å²	81	81 Å²	81	42%	0.415	42%	0.423	S	S	.	.			trans	-91.2	106.8	-175.5	-62.1	176.7	0	0	0	109.6	K265 V266 Q267 G285	K265-I287 HydrophobicContact CD-CG2 4.15Å; K265-I287 VanDerWaalsContact CE-CG2 3.41Å; K265-I287 HydrophobicContact CG-CG2 3.92Å; V266-I287 CarbonylContact O-C 3.58Å; V266-I287 VanDerWaalsContact O-CA 3.22Å; V266-I287 WeakPolarHBondContact O-CA 3.41Å; Q267-I287 HydrophobicContact CB-CG1 4.3Å; Q267-I287 HydrophobicContact CG-CG1 4.15Å; G285-I287 VanDerWaalsContact C-N 3.25Å; G285-I287 PolarHBondContact O-N 3.23Å
288	I	72.6	Confident	72.4	Confident	46 Å²	46	78.2 Å²	78.2	24%	0.236	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	118.4	-179.5	-57.6	164.8	0	0	0	108	K265 V266 F268 L290 A300	K265-I288 CarbonylContact C-O 3.37Å; K265-I288 WeakPolarHBondContact CA-O 3.48Å; V266-I288 PolarHBondContact N-O 3.08Å; V266-I288 PolarHBondContact O-N 2.99Å; F268-I288 HydrophobicContact CE2-CD1 4.35Å; I288-L290 HydrophobicContact CB-CD2 4.37Å; I288-L290 HydrophobicContact CG2-CB 4.44Å; I288-L290 HydrophobicContact CG2-CD2 3.76Å; I288-A300 HydrophobicContact CD1-CB 3.85Å
289	H	72.6	Confident	73.6	Confident	54 Å²	54	71.6 Å²	71.6	25%	0.25	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	131.5	167.2	-64.2	86.2	0	0	0	107.7	C264	C264-H289 WeakPolarHBondContact O-CA 3.38Å
290	L	76.5	Confident	74.3	Confident	25 Å²	25	69.3 Å²	69.3	13%	0.131	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	144.4	-176	60	105.6	0	0	0	111.8	T263 C264 V266 I288 K292 I299 A300	T263-L290 WeakPolarHBondContact CA-O 3.42Å; C264-L290 PolarHBondContact N-O 2.88Å; C264-L290 PolarHBondContact O-N 3.07Å; V266-L290 HydrophobicContact CG2-CD2 3.81Å; I288-L290 HydrophobicContact CB-CD2 4.37Å; I288-L290 HydrophobicContact CG2-CB 4.44Å; I288-L290 HydrophobicContact CG2-CD2 3.76Å; L290-K292 HydrophobicContact CD1-CB 4.36Å; L290-K292 HydrophobicContact CD1-CG 4.08Å; L290-I299 HydrophobicContact CD1-CB 4.09Å; L290-I299 HydrophobicContact CD1-CD1 4.41Å; L290-I299 WeakPolarHBondContact CD2-O 3.31Å; L290-A300 HydrophobicContact CD2-CB 3.99Å
291	K	75.5	Confident	74.7	Confident	159 Å²	159	67.5 Å²	67.5	69%	0.691	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	104.2	169.9	-176.3	179	-177.6	179.4	0	108.2	V261 L262	V261-K291 HydrophobicContact CG1-CD 4.49Å; V261-K291 HydrophobicContact CG1-CG 3.82Å; L262-K291 CarbonylContact O-C 3.55Å; L262-K291 WeakPolarHBondContact O-CA 3.14Å
292	K	72.6	Confident	75.1	Confident	64 Å²	64	63.9 Å²	63.9	28%	0.278	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	112	178.7	-96.4	-89.8	-173.2	155.9	0	109.3	V261 L262 L290 E298 I299	V261-K292 CarbonylContact C-O 3.59Å; V261-K292 VanDerWaalsContact CA-O 3.31Å; V261-K292 WeakPolarHBondContact CA-O 3.44Å; L262-K292 PolarHBondContact N-O 3.33Å; L262-K292 PolarHBondContact O-N 3.42Å; L290-K292 HydrophobicContact CD1-CB 4.36Å; L290-K292 HydrophobicContact CD1-CG 4.08Å; K292-E298 WeakPolarHBondContact CE-O 3.29Å; K292-E298 PolarHBondContact NZ-O 3.3Å; K292-I299 HydrophobicContact CD-CG2 4.09Å; K292-I299 HydrophobicContact CG-CB 4.32Å; K292-I299 HydrophobicContact CG-CG2 3.86Å
293	P	64.3	Low	75.2	Confident	83 Å²	83	63.2 Å²	63.2	54%	0.539	34%	0.341	S	S	.	.			trans	-70.2	-41.8	-175.1	24.4	-31.3	0	0	0	113	V261	V261-P293 HydrophobicContact CG2-CB 4.37Å; V261-P293 WeakPolarHBondContact CG2-O 3.08Å
294	R	65.8	Low	75.4	Confident	196 Å²	196	63 Å²	63	74%	0.74	34%	0.34	S	S	*	.	S	Bend	trans	-161.6	166.5	177.2	-65.3	-169.1	178.9	148.9	-0.4	108.8
295	A	59.2	Low	75.9	Confident	44 Å²	44	55.4 Å²	55.4	36%	0.364	31%	0.307	S	S	.	.			trans	112.4	108.8	174.8	0	0	0	0	0	114	T255 D258 G297	T255-A295 WeakPolarHBondContact CG2-O 3.41Å; D258-A295 PolarHBondContact OD1-N 2.87Å; D258-A295 VanDerWaalsContact OD1-N 3.17Å; A295-G297 PolarHBondContact O-N 3.34Å
296	V	70.3	Confident	76.4	Confident	86 Å²	86	59.5 Å²	59.5	52%	0.521	31%	0.312	S	S	.	.	S	Bend	trans	-50.6	127.9	151.2	176.5	0	0	0	0	108.7	T255 D258	T255-V296 WeakPolarHBondContact O-CA 3.35Å; D258-V296 HydrophobicContact CB-CG2 4.14Å
297	G	82	Confident	76.5	Confident	19 Å²	19	63.6 Å²	63.6	20%	0.196	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	143	-166.9	-179	0	0	0	0	0	113.1	H254 T255 A295 I299	H254-G297 CarbonylContact C-O 3.46Å; H254-G297 WeakPolarHBondContact CA-O 3.45Å; T255-G297 PolarHBondContact N-O 3.23Å; T255-G297 PolarHBondContact O-N 3.5Å; A295-G297 PolarHBondContact O-N 3.34Å; G297-I299 PolarHBondContact O-N 3Å
298	E	84.6	Confident	76.5	Confident	97 Å²	97	59.8 Å²	59.8	45%	0.453	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	130.7	179.9	-171.7	-169.9	154.5	0	0	111.6	L252 K292	L252-E298 HydrophobicContact CB-CG 4.36Å; L252-E298 HydrophobicContact CD1-CG 4.5Å; L252-E298 HydrophobicContact CD2-CG 4.42Å; K292-E298 WeakPolarHBondContact CE-O 3.29Å; K292-E298 PolarHBondContact NZ-O 3.3Å
299	I	84.2	Confident	76.4	Confident	16 Å²	16	62.2 Å²	62.2	8%	0.082	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	-26.9	175.6	61.7	168.1	0	0	0	113	F226 L253 T255 L262 L290 K292 G297	F226-I299 HydrophobicContact CD1-CD1 4.23Å; F226-I299 HydrophobicContact CE1-CD1 3.97Å; L253-I299 HydrophobicContact CB-CG1 4.29Å; L253-I299 HydrophobicContact CD2-CD1 3.68Å; L253-I299 HydrophobicContact CD2-CG1 3.92Å; L253-I299 HydrophobicContact CG-CD1 3.97Å; L253-I299 HydrophobicContact CG-CG1 3.87Å; L253-I299 WeakPolarHBondContact O-CG1 3.42Å; L253-I299 PolarHBondContact O-N 2.98Å; T255-I299 HydrophobicContact CG2-CG2 3.48Å; T255-I299 VanDerWaalsContact CG2-CG2 3.48Å; L262-I299 HydrophobicContact CD2-CD1 3.86Å; L290-I299 HydrophobicContact CD1-CB 4.09Å; L290-I299 HydrophobicContact CD1-CD1 4.41Å; L290-I299 WeakPolarHBondContact CD2-O 3.31Å; K292-I299 HydrophobicContact CD-CG2 4.09Å; K292-I299 HydrophobicContact CG-CB 4.32Å; K292-I299 HydrophobicContact CG-CG2 3.86Å; G297-I299 PolarHBondContact O-N 3Å
300	A	85.9	Confident	76.2	Confident	5 Å²	5	64.1 Å²	64.1	4%	0.041	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	147.1	179.2	0	0	0	0	0	109.5	L252 L253 V266 F268 I288 L290	L252-A300 CarbonylContact C-O 3.59Å; L252-A300 WeakPolarHBondContact CA-O 2.99Å; L253-A300 HydrophobicContact CB-CB 4.3Å; L253-A300 PolarHBondContact N-O 3.01Å; L253-A300 PolarHBondContact O-N 2.84Å; V266-A300 HydrophobicContact CB-CB 4.25Å; V266-A300 HydrophobicContact CG1-CB 4.16Å; V266-A300 HydrophobicContact CG2-CB 4.23Å; F268-A300 HydrophobicContact CE2-CB 4.05Å; F268-A300 HydrophobicContact CZ-CB 4.08Å; I288-A300 HydrophobicContact CD1-CB 3.85Å; L290-A300 HydrophobicContact CD2-CB 3.99Å
301	G	85.9	Confident	75.9	Confident	29 Å²	29	63.3 Å²	63.3	30%	0.299	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	144.5	178.3	0	0	0	0	0	111	L251	L251-G301 CarbonylContact O-C 3.58Å; L251-G301 VanDerWaalsContact O-CA 3.29Å; L251-G301 WeakPolarHBondContact O-CA 3.14Å
302	V	87.2	Confident	75.7	Confident	9 Å²	9	56.6 Å²	56.6	6%	0.055	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	141.7	174.7	68.1	0	0	0	0	110	S250 L251 F268 L283 H284	S250-V302 CarbonylContact C-O 3.53Å; S250-V302 WeakPolarHBondContact CA-O 3.3Å; L251-V302 HydrophobicContact CB-CG1 4.11Å; L251-V302 HydrophobicContact CD2-CG1 4.28Å; L251-V302 PolarHBondContact N-O 3.09Å; L251-V302 PolarHBondContact O-N 3.3Å; F268-V302 HydrophobicContact CB-CG1 3.82Å; F268-V302 HydrophobicContact CD2-CB 3.94Å; F268-V302 HydrophobicContact CD2-CG1 3.56Å; F268-V302 HydrophobicContact CE2-CB 4.4Å; F268-V302 HydrophobicContact CE2-CG1 4.19Å; F268-V302 HydrophobicContact CG-CG1 3.73Å; L283-V302 HydrophobicContact CB-CG1 4.48Å; L283-V302 HydrophobicContact CB-CG2 3.9Å; L283-V302 HydrophobicContact CD1-CG1 3.6Å; L283-V302 HydrophobicContact CD1-CG2 4.4Å; H284-V302 WeakPolarHBondContact O-CG2 3.21Å
303	T	85.8	Confident	75.6	Confident	64 Å²	64	57.9 Å²	57.9	39%	0.393	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	131.1	171.6	-64.8	0	0	0	0	110.1	K248 R249	K248-T303 HydrophobicContact CB-CG2 3.59Å; K248-T303 HydrophobicContact CD-CG2 3.94Å; K248-T303 HydrophobicContact CG-CG2 3.76Å; R249-T303 CarbonylContact O-C 3.6Å; R249-T303 WeakPolarHBondContact O-CA 3.46Å
304	L	83.5	Confident	76.1	Confident	5 Å²	5	60.5 Å²	60.5	3%	0.026	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-75.5	154.8	173.8	-64.6	-177	0	0	0	111.8	L230 R249 L251 L283 L308 L317	L230-L304 HydrophobicContact CD1-CD1 3.49Å; L230-L304 VanDerWaalsContact CD1-CD1 3.49Å; L230-L304 HydrophobicContact CD1-CG 4.48Å; R249-L304 HydrophobicContact CB-CB 4.19Å; R249-L304 HydrophobicContact CB-CD1 4.26Å; R249-L304 PolarHBondContact O-N 2.86Å; L251-L304 HydrophobicContact CB-CD2 4.05Å; L251-L304 HydrophobicContact CB-CG 4.31Å; L283-L304 HydrophobicContact CD1-CD2 3.69Å; L304-L308 HydrophobicContact CB-CD1 3.71Å; L304-L308 HydrophobicContact CD1-CD1 4.31Å; L304-L308 HydrophobicContact CD1-CD2 4.33Å; L304-L317 HydrophobicContact CD1-CD2 4.49Å
305	P	81.4	Confident	76.9	Confident	27 Å²	27	53 Å²	53	18%	0.175	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-57.3	146.6	176.9	-23.2	33.7	0	0	0	112.6	L283 N307 L308 I311	L283-P305 HydrophobicContact CD2-CG 3.85Å; P305-N307 WeakPolarHBondContact CB-OD1 3.44Å; P305-L308 HydrophobicContact CB-CD1 4.29Å; P305-L308 HydrophobicContact CG-CD1 4.43Å; P305-L308 WeakPolarHBondContact O-CD1 3.49Å; P305-I311 HydrophobicContact CB-CD1 3.81Å; P305-I311 HydrophobicContact CG-CD1 4.14Å
306	Q	72.7	Confident	78.2	Confident	137 Å²	137	53.1 Å²	53.1	64%	0.64	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-34.5	-179.5	-70	-179.9	-2	0	0	112.4	L308	Q306-L308 PolarHBondContact O-N 2.03Å; Q306-L308 VanDerWaalsContact O-N 3.12Å
307	N	72.5	Confident	79	Confident	90 Å²	90	49.2 Å²	49.2	48%	0.481	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	38.2	179.2	62.8	-41.6	0	0	0	112.5	P305 D309 S310 I311	P305-N307 WeakPolarHBondContact CB-OD1 3.44Å; N307-D309 PolarHBondContact O-N 3Å; N307-S310 WeakPolarHBondContact O-CB 3.37Å; N307-S310 PolarHBondContact O-N 2.92Å; N307-I311 WeakPolarHBondContact O-CD1 3.48Å; N307-I311 WeakPolarHBondContact O-CG1 3.47Å; N307-I311 PolarHBondContact O-N 3.06Å
308	L	72.2	Confident	79.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-56.2	-40.5	-177.7	-129.5	88.5	0	0	0	111.7	F198 I270 L304 P305 Q306 S310 I311 V312 L317	F198-L308 HydrophobicContact CE1-CD2 3.7Å; F198-L308 HydrophobicContact CZ-CD2 3.89Å; I270-L308 HydrophobicContact CD1-CD1 4.17Å; L304-L308 HydrophobicContact CB-CD1 3.71Å; L304-L308 HydrophobicContact CD1-CD1 4.31Å; L304-L308 HydrophobicContact CD1-CD2 4.33Å; P305-L308 HydrophobicContact CB-CD1 4.29Å; P305-L308 HydrophobicContact CG-CD1 4.43Å; P305-L308 WeakPolarHBondContact O-CD1 3.49Å; Q306-L308 PolarHBondContact O-N 2.03Å; Q306-L308 VanDerWaalsContact O-N 3.12Å; L308-S310 PolarHBondContact O-N 3.32Å; L308-S310 VanDerWaalsContact O-N 3.16Å; L308-I311 WeakPolarHBondContact O-CA 3.21Å; L308-I311 WeakPolarHBondContact O-CB 3.47Å; L308-I311 PolarHBondContact O-N 3.21Å; L308-V312 HydrophobicContact CD2-CG2 4.22Å; L308-V312 HydrophobicContact CG-CG2 4.26Å; L308-V312 WeakPolarHBondContact O-CG2 3.27Å; L308-V312 PolarHBondContact O-N 3.46Å; L308-L317 HydrophobicContact CD2-CD1 4.03Å; L308-L317 HydrophobicContact CD2-CD2 3.86Å
309	D	70.1	Confident	79.6	Confident	97 Å²	97	44.1 Å²	44.1	52%	0.519	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-62.6	-24	-178.7	-46.6	-12.3	0	0	0	112.4	H199 N307	H199-D309 IonicContact NE2-OD1 3.69Å; H199-D309 PolarHBondContact NE2-OD1 2.84Å; N307-D309 PolarHBondContact O-N 3Å
310	S	67.6	Low	80	Confident	94 Å²	94	44.2 Å²	44.2	66%	0.657	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-86.6	-12.9	174.5	-46.1	0	0	0	0	113.3	N307 L308	N307-S310 WeakPolarHBondContact O-CB 3.37Å; N307-S310 PolarHBondContact O-N 2.92Å; L308-S310 PolarHBondContact O-N 3.32Å; L308-S310 VanDerWaalsContact O-N 3.16Å
311	I	69.7	Low	80.4	Confident	8 Å²	8	44 Å²	44	4%	0.041	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-40.2	-174.3	-62.8	163.2	0	0	0	110.7	A271 Y272 T273 P305 N307 L308 D313	A271-I311 WeakPolarHBondContact O-CG2 3.37Å; Y272-I311 HydrophobicContact CD1-CB 4.28Å; Y272-I311 HydrophobicContact CD1-CD1 4.06Å; Y272-I311 HydrophobicContact CD1-CG1 3.85Å; Y272-I311 HydrophobicContact CD1-CG2 3.43Å; Y272-I311 VanDerWaalsContact CD1-CG2 3.43Å; Y272-I311 HydrophobicContact CE1-CD1 3.49Å; Y272-I311 VanDerWaalsContact CE1-CD1 3.49Å; Y272-I311 HydrophobicContact CE1-CG1 3.82Å; Y272-I311 HydrophobicContact CE1-CG2 3.86Å; Y272-I311 HydrophobicContact CG-CG2 3.96Å; T273-I311 WeakPolarHBondContact CG2-O 3.32Å; T273-I311 PolarHBondContact OG1-O 3.21Å; P305-I311 HydrophobicContact CB-CD1 3.81Å; P305-I311 HydrophobicContact CG-CD1 4.14Å; N307-I311 WeakPolarHBondContact O-CD1 3.48Å; N307-I311 WeakPolarHBondContact O-CG1 3.47Å; N307-I311 PolarHBondContact O-N 3.06Å; L308-I311 WeakPolarHBondContact O-CA 3.21Å; L308-I311 WeakPolarHBondContact O-CB 3.47Å; L308-I311 PolarHBondContact O-N 3.21Å; I311-D313 PolarHBondContact O-N 3.37Å
312	V	71.6	Confident	80.7	Confident	19 Å²	19	43.6 Å²	43.6	12%	0.115	25%	0.245	C	C	.	.			trans	-68.3	118.1	-178.2	172.8	0	0	0	0	109.9	L308 L317	L308-V312 HydrophobicContact CD2-CG2 4.22Å; L308-V312 HydrophobicContact CG-CG2 4.26Å; L308-V312 WeakPolarHBondContact O-CG2 3.27Å; L308-V312 PolarHBondContact O-N 3.46Å; V312-L317 HydrophobicContact CG2-CB 4.15Å; V312-L317 HydrophobicContact CG2-CD1 3.96Å
313	D	71.3	Confident	80.9	Confident	90 Å²	90	43.1 Å²	43.1	48%	0.481	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-81.2	140.3	171.6	-155	-5.6	0	0	0	110.6	T273 I311 D315 V316	T273-D313 HydrophobicContact CG2-CB 3.33Å; I311-D313 PolarHBondContact O-N 3.37Å; D313-D315 PolarHBondContact O-N 2.91Å; D313-V316 PolarHBondContact O-N 2.84Å
314	N	75.1	Confident	81.2	Confident	138 Å²	138	41.1 Å²	41.1	74%	0.738	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.1	34.7	169.1	-68.3	-34.4	0	0	0	115	V316	N314-V316 VanDerWaalsContact C-N 3.25Å; N314-V316 PolarHBondContact O-N 3.28Å
315	D	83.1	Confident	81.5	Confident	39 Å²	39	41.1 Å²	41.1	21%	0.209	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	29.2	-176.2	-159	17.3	0	0	0	114.8	N197 F198 H199 D313	N197-D315 VanDerWaalsContact C-OD2 3.31Å; N197-D315 WeakPolarHBondContact CA-O 3.5Å; N197-D315 VanDerWaalsContact CA-OD2 3.23Å; N197-D315 WeakPolarHBondContact CA-OD2 3.31Å; N197-D315 PolarHBondContact N-O 2.81Å; F198-D315 WeakPolarHBondContact CB-OD1 3.48Å; F198-D315 PolarHBondContact N-O 3.11Å; F198-D315 PolarHBondContact N-OD1 2.86Å; H199-D315 IonicContact CE1-OD1 3.83Å; H199-D315 IonicContact CG-OD1 3.83Å; H199-D315 PolarHBondContact N-OD1 3.22Å; H199-D315 IonicContact ND1-OD1 2.99Å; H199-D315 PolarHBondContact ND1-OD1 2.82Å; D313-D315 PolarHBondContact O-N 2.91Å
316	V	85.1	Confident	81.8	Confident	47 Å²	47	42.5 Å²	42.5	29%	0.285	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	105.2	178.6	-175.7	0	0	0	0	111.1	V194 I195 E196 D313 N314	V194-V316 HydrophobicContact CG1-CG1 3.38Å; I195-V316 CarbonylContact O-C 3.53Å; I195-V316 WeakPolarHBondContact O-CA 2.86Å; E196-V316 HydrophobicContact CG-CG1 4.41Å; E196-V316 HydrophobicContact CG-CG2 4.26Å; D313-V316 PolarHBondContact O-N 2.84Å; N314-V316 VanDerWaalsContact C-N 3.25Å; N314-V316 PolarHBondContact O-N 3.28Å
317	L	87.4	Confident	82.2	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	116	174	175.3	62.2	0	0	0	110.1	I195 F198 I270 L304 L308 V312 V319	I195-L317 HydrophobicContact CB-CB 4.34Å; I195-L317 HydrophobicContact CD1-CD2 4.23Å; I195-L317 PolarHBondContact N-O 2.96Å; I195-L317 PolarHBondContact O-N 2.59Å; F198-L317 HydrophobicContact CB-CB 4.09Å; F198-L317 HydrophobicContact CD1-CB 4.35Å; F198-L317 HydrophobicContact CD2-CB 3.92Å; F198-L317 HydrophobicContact CD2-CD2 3.76Å; F198-L317 HydrophobicContact CE1-CD2 4.35Å; F198-L317 HydrophobicContact CE2-CD2 3.55Å; F198-L317 HydrophobicContact CG-CB 3.82Å; F198-L317 HydrophobicContact CG-CD2 4.27Å; F198-L317 HydrophobicContact CZ-CD2 3.87Å; I270-L317 HydrophobicContact CD1-CD1 3.74Å; I270-L317 HydrophobicContact CG1-CD1 4.02Å; L304-L317 HydrophobicContact CD1-CD2 4.49Å; L308-L317 HydrophobicContact CD2-CD1 4.03Å; L308-L317 HydrophobicContact CD2-CD2 3.86Å; V312-L317 HydrophobicContact CG2-CB 4.15Å; V312-L317 HydrophobicContact CG2-CD1 3.96Å; L317-V319 HydrophobicContact CD1-CG2 4.27Å; L317-V319 HydrophobicContact CG-CG2 4.17Å
318	T	88.6	Confident	82.7	Confident	9 Å²	9	40.7 Å²	40.7	6%	0.055	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.9	175.2	-62.7	0	0	0	0	111.4	R192 W193 V194 A271 M280	R192-T318 HydrophobicContact CG-CG2 3.96Å; W193-T318 WeakPolarHBondContact O-CA 3.28Å; V194-T318 HydrophobicContact CG2-CG2 4.29Å; A271-T318 HydrophobicContact CB-CG2 4.22Å; A271-T318 PolarHBondContact N-O 3.03Å; M280-T318 HydrophobicContact SD-CG2 4.39Å
319	V	91.3	Very high	83.2	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	142.4	178.6	173.1	0	0	0	0	108.8	R192 W193 L251 N269 L317	R192-V319 CarbonylContact C-O 3.58Å; R192-V319 WeakPolarHBondContact CA-O 3.44Å; W193-V319 PolarHBondContact N-O 2.9Å; W193-V319 PolarHBondContact O-N 2.98Å; L251-V319 HydrophobicContact CD1-CG1 4.29Å; L251-V319 HydrophobicContact CD2-CG1 3.35Å; L251-V319 HydrophobicContact CG-CG1 4.45Å; N269-V319 CarbonylContact O-C 3.48Å; N269-V319 WeakPolarHBondContact O-CA 2.96Å; L317-V319 HydrophobicContact CD1-CG2 4.27Å; L317-V319 HydrophobicContact CG-CG2 4.17Å
320	A	92	Very high	83.7	Confident	17 Å²	17	43.8 Å²	43.8	14%	0.14	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.1	168.1	0	0	0	0	0	111	H191 F268 N269 M280	H191-A320 CarbonylContact O-C 3.58Å; H191-A320 VanDerWaalsContact O-CA 3.29Å; H191-A320 WeakPolarHBondContact O-CA 3.26Å; F268-A320 WeakPolarHBondContact CA-O 3.49Å; N269-A320 HydrophobicContact CB-CB 4.43Å; N269-A320 PolarHBondContact N-O 2.75Å; N269-A320 PolarHBondContact O-N 3.27Å; M280-A320 HydrophobicContact CE-CB 3.45Å; M280-A320 VanDerWaalsContact CE-CB 3.45Å
321	C	93.9	Very high	84.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	125.9	170.8	-175.2	0	0	0	0	108.8	Q190 H191 L228 F268	Q190-C321 WeakPolarHBondContact CA-O 3.39Å; H191-C321 PolarHBondContact N-O 3.04Å; H191-C321 PolarHBondContact O-N 2.88Å; L228-C321 HydrophobicContact CD1-CB 3.94Å; L228-C321 HydrophobicContact CD2-CB 3.96Å; L228-C321 HydrophobicContact CG-CB 4.41Å; F268-C321 HydrophobicContact CD1-CB 4.23Å; F268-C321 HydrophobicContact CE1-CB 4.36Å
322	I	93.5	Very high	84.6	Confident	21 Å²	21	46.5 Å²	46.5	11%	0.108	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.3	175.1	-56.7	176.8	0	0	0	107.2	K188 V189 Q190 V266 Q267	K188-I322 HydrophobicContact CD-CG2 4.46Å; K188-I322 VanDerWaalsContact CE-CG2 3.46Å; K188-I322 HydrophobicContact CG-CG2 4.2Å; V189-I322 CarbonylContact O-C 3.57Å; V189-I322 WeakPolarHBondContact O-CA 3.22Å; Q190-I322 HydrophobicContact CG-CB 4.49Å; Q190-I322 HydrophobicContact CG-CG1 4.11Å; Q190-I322 HydrophobicContact CG-CG2 4.14Å; V266-I322 CarbonylContact C-O 3.6Å; V266-I322 WeakPolarHBondContact CA-O 3.25Å; Q267-I322 HydrophobicContact CB-CB 4.3Å; Q267-I322 PolarHBondContact N-O 3.21Å; Q267-I322 PolarHBondContact O-N 3.23Å
323	I	91.6	Very high	84.5	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.7	179.1	-48.9	168.1	0	0	0	107.2	K188 V189 F217 F226 L253 C264 K265 V266 I325	K188-I323 CarbonylContact C-O 3.54Å; K188-I323 WeakPolarHBondContact CA-O 3.28Å; V189-I323 HydrophobicContact CB-CB 4.21Å; V189-I323 PolarHBondContact N-O 3.27Å; V189-I323 PolarHBondContact O-N 2.87Å; F217-I323 HydrophobicContact CE2-CD1 3.87Å; F217-I323 HydrophobicContact CZ-CD1 4.43Å; F226-I323 HydrophobicContact CB-CD1 4.42Å; F226-I323 HydrophobicContact CD1-CD1 4Å; F226-I323 HydrophobicContact CD2-CD1 3.8Å; F226-I323 HydrophobicContact CE1-CD1 4.17Å; F226-I323 HydrophobicContact CE2-CD1 3.98Å; F226-I323 HydrophobicContact CG-CD1 3.8Å; F226-I323 HydrophobicContact CZ-CD1 4.16Å; F226-I323 HydrophobicContact CZ-CG2 4.49Å; L253-I323 HydrophobicContact CD1-CD1 4.03Å; L253-I323 HydrophobicContact CD2-CD1 3.77Å; L253-I323 HydrophobicContact CD2-CG1 4.04Å; C264-I323 HydrophobicContact CB-CG2 3.97Å; K265-I323 CarbonylContact O-C 3.59Å; K265-I323 WeakPolarHBondContact O-CA 3.45Å; V266-I323 HydrophobicContact CG2-CG2 4.37Å; I323-I325 HydrophobicContact CG2-CG1 3.85Å
324	T	91.2	Very high	84.2	Confident	21 Å²	21	47.2 Å²	47.2	13%	0.129	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	102.6	171.6	-56.9	0	0	0	0	107.8	Y186 C264 K265 Y326	Y186-T324 HydrophobicContact CD2-CG2 3.53Å; Y186-T324 HydrophobicContact CE2-CG2 4.29Å; Y186-T324 HydrophobicContact CG-CG2 3.76Å; C264-T324 CarbonylContact C-O 3.58Å; C264-T324 WeakPolarHBondContact CA-O 3.46Å; C264-T324 VanDerWaalsContact CB-O 3.27Å; C264-T324 WeakPolarHBondContact CB-O 3.23Å; K265-T324 PolarHBondContact N-O 3.42Å; K265-T324 PolarHBondContact O-N 3.45Å; T324-Y326 HydrophobicContact CG2-CD1 4.28Å; T324-Y326 HydrophobicContact CG2-CE1 3.65Å
325	I	89.3	Confident	83.3	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.026	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	124.5	-179.8	-54.9	176.8	0	0	0	108.2	Y186 T187 V189 H224 F226 L262 C264 I323	Y186-I325 CarbonylContact C-O 3.52Å; Y186-I325 WeakPolarHBondContact CA-O 3.42Å; Y186-I325 VanDerWaalsContact CB-O 3.26Å; Y186-I325 WeakPolarHBondContact CB-O 3.44Å; T187-I325 PolarHBondContact N-O 2.82Å; T187-I325 PolarHBondContact O-N 3.36Å; V189-I325 HydrophobicContact CG2-CD1 3.91Å; V189-I325 HydrophobicContact CG2-CG1 4.48Å; H224-I325 HydrophobicContact CB-CD1 4.18Å; F226-I325 HydrophobicContact CE2-CD1 4.05Å; F226-I325 HydrophobicContact CZ-CD1 4.01Å; L262-I325 HydrophobicContact CD1-CD1 4.31Å; L262-I325 HydrophobicContact CD1-CG1 4.17Å; L262-I325 HydrophobicContact CD1-CG2 3.77Å; C264-I325 HydrophobicContact CB-CG1 4.37Å; I323-I325 HydrophobicContact CG2-CG1 3.85Å
326	Y	87.2	Confident	81.7	Confident	56 Å²	56	51.8 Å²	51.8	22%	0.22	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	122.8	-179.5	-58.6	-65.6	0	0	0	109.7	I184 T263 K265 T324	I184-Y326 HydrophobicContact CD1-CD1 3.46Å; I184-Y326 VanDerWaalsContact CD1-CD1 3.46Å; I184-Y326 HydrophobicContact CD1-CE1 4.18Å; I184-Y326 HydrophobicContact CD1-CG 3.77Å; I184-Y326 HydrophobicContact CG1-CD1 3.86Å; I184-Y326 HydrophobicContact CG1-CG 4.43Å; I184-Y326 HydrophobicContact CG2-CD1 4.44Å; T263-Y326 HydrophobicContact CG2-CD2 4.38Å; T263-Y326 PolarHBondContact O-N 3.04Å; K265-Y326 HydrophobicContact CB-CE2 3.84Å; K265-Y326 WeakPolarHBondContact CB-OH 3.4Å; T324-Y326 HydrophobicContact CG2-CD1 4.28Å; T324-Y326 HydrophobicContact CG2-CE1 3.65Å
327	D	82.8	Confident	80	Confident	58 Å²	58	52.8 Å²	52.8	31%	0.31	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-63.8	-179.8	-77.4	-52.8	0	0	0	110.8	K185 R223	K185-D327 HydrophobicContact CB-CB 4.45Å; K185-D327 HydrophobicContact CD-CB 4.36Å; K185-D327 HydrophobicContact CG-CB 4.41Å; K185-D327 PolarHBondContact O-N 3.43Å; R223-D327 IonicContact CZ-OD1 2.79Å; R223-D327 IonicContact NH1-OD1 3.96Å; R223-D327 IonicContact NH2-OD1 2.61Å; R223-D327 PolarHBondContact NH2-OD1 3.48Å; R223-D327 IonicContact NH2-OD2 3.8Å
328	E	82.3	Confident	77.9	Confident	132 Å²	132	56 Å²	56	62%	0.617	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.8	142.4	-168.7	-173.4	175.7	-169.1	0	0	111.3	K185	K185-E328 PolarHBondContact N-O 3.07Å
329	I	82.1	Confident	76	Confident	115 Å²	115	58.5 Å²	58.5	59%	0.59	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	124.4	168.7	-61.6	171	0	0	0	107.5	T182 I184	T182-I329 HydrophobicContact CG2-CG2 3.52Å; I184-I329 HydrophobicContact CB-CG1 4.35Å; I184-I329 HydrophobicContact CD1-CD1 4.42Å; I184-I329 HydrophobicContact CD1-CG1 3.88Å; I184-I329 HydrophobicContact CG1-CG1 3.98Å
330	S	81.5	Confident	74	Confident	46 Å²	46	64.7 Å²	64.7	32%	0.322	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.6	176.9	62.8	0	0	0	0	110.1	T182 T183	T182-S330 WeakPolarHBondContact CA-O 3.4Å; T183-S330 PolarHBondContact N-O 2.89Å; T183-S330 PolarHBondContact O-N 3.19Å; T183-S330 PolarHBondContact OG1-OG 3.47Å
331	T	78.4	Confident	72.2	Confident	88 Å²	88	70.9 Å²	70.9	54%	0.54	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.8	169.1	-57.4	0	0	0	0	108.8	R181 T182	R181-T331 CarbonylContact O-C 3.54Å; R181-T331 WeakPolarHBondContact O-CA 3.5Å; T182-T331 WeakPolarHBondContact OG1-CG2 3.16Å; T182-T331 PolarHBondContact OG1-OG1 3.26Å
332	V	77.3	Confident	70.3	Confident	72 Å²	72	76.4 Å²	76.4	44%	0.436	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	146.2	173.8	-64.2	0	0	0	0	109.5	S180 R181	S180-V332 CarbonylContact C-O 3.55Å; S180-V332 WeakPolarHBondContact CA-O 3.32Å; R181-V332 HydrophobicContact CB-CG2 4.14Å; R181-V332 PolarHBondContact N-O 2.88Å; R181-V332 PolarHBondContact O-N 3.19Å
333	C	70	Confident	68.7	Low	60 Å²	60	78.6 Å²	78.6	41%	0.405	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	125.1	162.9	-74.8	0	0	0	0	107.8	C176 R335	C176-C333 HydrophobicContact CB-CB 4.22Å; C176-C333 WeakPolarHBondContact CB-SG 3.43Å; C176-C333 VanDerWaalsContact SG-CA 3.55Å; C176-C333 WeakPolarHBondContact SG-CB 3.43Å; C176-C333 CovalentContact SG-SG 2.03Å; C176-C333 PolarHBondContact SG-SG 3.49Å; C333-R335 VanDerWaalsContact C-N 3.28Å; C333-R335 PolarHBondContact O-N 3.05Å
334	D	65.3	Low	67.3	Low	64 Å²	64	79.3 Å²	79.3	34%	0.342	43%	0.428	S	S	.	.			trans	-62.9	101.3	167.8	-69.6	-19	0	0	0	104.8	T179 R181 A336	T179-D334 PolarHBondContact O-N 3.41Å; R181-D334 IonicContact NE-OD2 3.45Å; R181-D334 IonicContact NH2-OD2 2.65Å; D334-A336 PolarHBondContact O-N 3.22Å
335	R	54.6	Low	66.3	Low	214 Å²	214	85 Å²	85	81%	0.808	45%	0.451	S	S	*	.			trans	-60.8	128.5	168.5	-66.9	-176.7	-155.8	-138.9	1.3	104.4	C333 S337	C333-R335 VanDerWaalsContact C-N 3.28Å; C333-R335 PolarHBondContact O-N 3.05Å; R335-S337 PolarHBondContact O-N 3.46Å
336	A	49.7	Very low	65.6	Low	59 Å²	59	87.1 Å²	87.1	49%	0.488	47%	0.469	S	S	.	.			trans	-33.1	103.6	175.7	0	0	0	0	0	109	D334	D334-A336 PolarHBondContact O-N 3.22Å
337	S	49.7	Very low	65.1	Low	67 Å²	67	87.2 Å²	87.2	47%	0.469	47%	0.47	S	S	.	.	S	Bend	trans	-51.2	138.9	159.2	70.7	0	0	0	0	104.7	R335 S339	R335-S337 PolarHBondContact O-N 3.46Å; S337-S339 WeakPolarHBondContact O-CA 3.38Å; S337-S339 PolarHBondContact O-N 3.18Å
338	P	44	Very low	64.9	Low	70 Å²	70	85.3 Å²	85.3	46%	0.455	46%	0.461	S	S	.	.	S	Bend	trans	-35.3	113.5	-171.3	10	-27.2	0	0	0	109.2	E342	P338-E342 HydrophobicContact CB-CB 3.9Å; P338-E342 HydrophobicContact CB-CG 4.34Å; P338-E342 WeakPolarHBondContact CB-OE2 3.29Å
339	S	48.5	Very low	64.8	Low	62 Å²	62	80.7 Å²	80.7	43%	0.434	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-32.6	147.6	-158.3	59.2	0	0	0	0	112.5	S337 K341 E342	S337-S339 WeakPolarHBondContact O-CA 3.38Å; S337-S339 PolarHBondContact O-N 3.18Å; S339-K341 CarbonylContact O-C 3.49Å; S339-K341 WeakPolarHBondContact O-CA 3.49Å; S339-K341 PolarHBondContact O-N 3.49Å; S339-E342 PolarHBondContact O-N 3.01Å
340	D	50.2	Low	64.9	Low	132 Å²	132	76.5 Å²	76.5	71%	0.706	42%	0.424	S	S	*	.	H	α-helix	trans	-44	-25.2	-179.4	-68.4	-39	0	0	0	115.3	G344	D340-G344 PolarHBondContact O-N 2.68Å
341	K	53.2	Low	65	Low	146 Å²	146	74.5 Å²	74.5	64%	0.635	41%	0.41	S	S	*	.	H	α-helix	trans	-58.1	-44.4	167.6	-63.2	-176.3	179.7	177	0	114.9	S339 K345	S339-K341 CarbonylContact O-C 3.49Å; S339-K341 WeakPolarHBondContact O-CA 3.49Å; S339-K341 PolarHBondContact O-N 3.49Å; K341-K345 WeakPolarHBondContact O-CB 3.31Å; K341-K345 VanDerWaalsContact O-CG 3.25Å; K341-K345 WeakPolarHBondContact O-CG 3.42Å; K341-K345 PolarHBondContact O-N 2.88Å
342	E	54.9	Low	65.4	Low	117 Å²	117	73.8 Å²	73.8	55%	0.547	40%	0.4	S	S	.	.	H	α-helix	trans	-70.1	-44.9	174.7	-72.4	-159.1	167.7	0	0	111.8	P338 S339 G344 K345 A346	P338-E342 HydrophobicContact CB-CB 3.9Å; P338-E342 HydrophobicContact CB-CG 4.34Å; P338-E342 WeakPolarHBondContact CB-OE2 3.29Å; S339-E342 PolarHBondContact O-N 3.01Å; E342-G344 VanDerWaalsContact C-N 3.34Å; E342-G344 PolarHBondContact O-N 3.29Å; E342-K345 PolarHBondContact O-N 3.01Å; E342-A346 WeakPolarHBondContact O-CB 3.49Å; E342-A346 PolarHBondContact O-N 3.33Å
343	N	58.6	Low	65.8	Low	67 Å²	67	77.1 Å²	77.1	36%	0.358	41%	0.409	S	S	.	.	H	α-helix	trans	-59.6	-45.4	174.7	-77.9	-17.5	0	0	0	111.4	K345 A346 F347	N343-K345 PolarHBondContact O-N 3.25Å; N343-A346 PolarHBondContact O-N 3.32Å; N343-F347 WeakPolarHBondContact O-CB 3.45Å; N343-F347 PolarHBondContact O-N 2.83Å
344	G	63.8	Low	66.7	Low	15 Å²	15	74.9 Å²	74.9	16%	0.155	39%	0.392	C	S	.	.	H	α-helix	trans	-60.9	-42	175.5	0	0	0	0	0	112.7	D340 E342 V348	D340-G344 PolarHBondContact O-N 2.68Å; E342-G344 VanDerWaalsContact C-N 3.34Å; E342-G344 PolarHBondContact O-N 3.29Å; G344-V348 WeakPolarHBondContact O-CB 3.29Å; G344-V348 VanDerWaalsContact O-CG2 3.32Å; G344-V348 WeakPolarHBondContact O-CG2 3.39Å; G344-V348 PolarHBondContact O-N 2.89Å
345	K	69.5	Low	67.8	Low	141 Å²	141	73.2 Å²	73.2	61%	0.613	38%	0.383	S	S	*	.	H	α-helix	trans	-64.9	-45.4	175	-78.7	175.2	-176.1	179.1	0	112.1	K341 E342 N343 F347 S349	K341-K345 WeakPolarHBondContact O-CB 3.31Å; K341-K345 VanDerWaalsContact O-CG 3.25Å; K341-K345 WeakPolarHBondContact O-CG 3.42Å; K341-K345 PolarHBondContact O-N 2.88Å; E342-K345 PolarHBondContact O-N 3.01Å; N343-K345 PolarHBondContact O-N 3.25Å; K345-F347 VanDerWaalsContact C-N 3.35Å; K345-S349 VanDerWaalsContact O-CB 3.3Å; K345-S349 WeakPolarHBondContact O-CB 2.95Å; K345-S349 PolarHBondContact O-N 2.8Å
346	A	73.6	Confident	69.6	Low	48 Å²	48	70 Å²	70	40%	0.397	38%	0.375	S	S	.	.	H	α-helix	trans	-62.8	-44.3	178.5	0	0	0	0	0	110.8	E342 N343 S349 S350	E342-A346 WeakPolarHBondContact O-CB 3.49Å; E342-A346 PolarHBondContact O-N 3.33Å; N343-A346 PolarHBondContact O-N 3.32Å; A346-S349 PolarHBondContact O-N 2.92Å; A346-S349 PolarHBondContact O-OG 3.45Å; A346-S350 PolarHBondContact O-N 2.81Å
347	F	77	Confident	71.5	Confident	58 Å²	58	70 Å²	70	25%	0.254	38%	0.375	S	S	.	.	H	α-helix	trans	-60.2	-52.5	176	178.6	-106.2	0	0	0	111.9	F112 V113 N343 K345 S349 S350 F351	F112-F347 AromaticContact CD1-CE1 3.43Å; F112-F347 HydrophobicContact CD1-CE1 3.43Å; F112-F347 VanDerWaalsContact CD1-CE1 3.43Å; F112-F347 AromaticContact CD1-CZ 3.91Å; F112-F347 HydrophobicContact CD1-CZ 3.91Å; F112-F347 AromaticContact CE1-CE1 3.71Å; F112-F347 HydrophobicContact CE1-CE1 3.71Å; F112-F347 AromaticContact CE1-CZ 3.85Å; F112-F347 HydrophobicContact CE1-CZ 3.85Å; F112-F347 HydrophobicContact CG-CE1 4.37Å; V113-F347 HydrophobicContact CG2-CE1 4.22Å; V113-F347 HydrophobicContact CG2-CZ 4.36Å; N343-F347 WeakPolarHBondContact O-CB 3.45Å; N343-F347 PolarHBondContact O-N 2.83Å; K345-F347 VanDerWaalsContact C-N 3.35Å; F347-S349 VanDerWaalsContact C-N 3.29Å; F347-S349 PolarHBondContact O-N 2.83Å; F347-S350 VanDerWaalsContact O-CB 3.29Å; F347-S350 WeakPolarHBondContact O-CB 3.34Å; F347-S350 PolarHBondContact O-N 3.45Å; F347-S350 PolarHBondContact O-OG 2.89Å; F347-F351 HydrophobicContact CD2-CE2 4.4Å; F347-F351 HydrophobicContact CE1-CD2 4.46Å; F347-F351 AromaticContact CE1-CE2 3.98Å; F347-F351 HydrophobicContact CE1-CE2 3.98Å; F347-F351 AromaticContact CE2-CE2 3.76Å; F347-F351 HydrophobicContact CE2-CE2 3.76Å; F347-F351 HydrophobicContact CZ-CD2 4.4Å; F347-F351 AromaticContact CZ-CE2 3.54Å; F347-F351 HydrophobicContact CZ-CE2 3.54Å; F347-F351 HydrophobicContact CZ-CZ 4.34Å; F347-F351 PolarHBondContact O-N 3.25Å
348	V	79	Confident	73.5	Confident	19 Å²	19	72.5 Å²	72.5	12%	0.115	38%	0.378	C	S	.	.	H	α-helix	trans	-58.7	-41.4	175.3	165.7	0	0	0	0	111.6	G344 S350 F351 E352 T418	G344-V348 WeakPolarHBondContact O-CB 3.29Å; G344-V348 VanDerWaalsContact O-CG2 3.32Å; G344-V348 WeakPolarHBondContact O-CG2 3.39Å; G344-V348 PolarHBondContact O-N 2.89Å; V348-S350 PolarHBondContact O-N 3.21Å; V348-F351 PolarHBondContact O-N 2.83Å; V348-E352 PolarHBondContact O-N 3.47Å; V348-T418 HydrophobicContact CG1-CG2 4.13Å; V348-T418 WeakPolarHBondContact CG1-O 3.21Å
349	S	80.9	Confident	75.4	Confident	35 Å²	35	71.8 Å²	71.8	25%	0.245	37%	0.372	C	S	.	.	H	α-helix	trans	-63.4	-27.1	177.2	83.3	0	0	0	0	113	K345 A346 F347 E352 K353	K345-S349 VanDerWaalsContact O-CB 3.3Å; K345-S349 WeakPolarHBondContact O-CB 2.95Å; K345-S349 PolarHBondContact O-N 2.8Å; A346-S349 PolarHBondContact O-N 2.92Å; A346-S349 PolarHBondContact O-OG 3.45Å; F347-S349 VanDerWaalsContact C-N 3.29Å; F347-S349 PolarHBondContact O-N 2.83Å; S349-E352 PolarHBondContact O-N 3.49Å; S349-K353 VanDerWaalsContact O-CG 3.31Å; S349-K353 WeakPolarHBondContact O-CG 3.18Å; S349-K353 PolarHBondContact O-N 3.09Å
350	S	82.9	Confident	77.1	Confident	27 Å²	27	70.7 Å²	70.7	19%	0.189	37%	0.367	C	S	.	.	H	α-helix	trans	-67.1	-38.3	177	81.3	0	0	0	0	111.3	A346 F347 V348 K353 F354	A346-S350 PolarHBondContact O-N 2.81Å; F347-S350 VanDerWaalsContact O-CB 3.29Å; F347-S350 WeakPolarHBondContact O-CB 3.34Å; F347-S350 PolarHBondContact O-N 3.45Å; F347-S350 PolarHBondContact O-OG 2.89Å; V348-S350 PolarHBondContact O-N 3.21Å; S350-K353 PolarHBondContact O-N 3.1Å; S350-F354 VanDerWaalsContact O-CB 3.29Å; S350-F354 WeakPolarHBondContact O-CB 3.36Å; S350-F354 PolarHBondContact O-N 2.98Å
351	F	84.2	Confident	79	Confident	4 Å²	4	65.4 Å²	65.4	2%	0.018	34%	0.339	C	S	.	.	H	α-helix	trans	-70.1	-37.8	175.3	-81.2	-83.2	0	0	0	112.6	F112 F116 V146 F347 V348 K353 F354 L355 I378 Y417	F112-F351 HydrophobicContact CD1-CE2 4.4Å; F112-F351 HydrophobicContact CE1-CD1 4.4Å; F112-F351 AromaticContact CE1-CD2 3.74Å; F112-F351 HydrophobicContact CE1-CD2 3.74Å; F112-F351 AromaticContact CE1-CE1 3.99Å; F112-F351 HydrophobicContact CE1-CE1 3.99Å; F112-F351 AromaticContact CE1-CE2 3.28Å; F112-F351 HydrophobicContact CE1-CE2 3.28Å; F112-F351 HydrophobicContact CE1-CG 4.27Å; F112-F351 AromaticContact CE1-CZ 3.41Å; F112-F351 HydrophobicContact CE1-CZ 3.41Å; F112-F351 VanDerWaalsContact CE1-CZ 3.41Å; F112-F351 HydrophobicContact CE2-CG 4.48Å; F112-F351 AromaticContact CZ-CD1 3.67Å; F112-F351 HydrophobicContact CZ-CD1 3.67Å; F112-F351 AromaticContact CZ-CD2 3.59Å; F112-F351 HydrophobicContact CZ-CD2 3.59Å; F112-F351 AromaticContact CZ-CE1 3.6Å; F112-F351 HydrophobicContact CZ-CE1 3.6Å; F112-F351 AromaticContact CZ-CE2 3.53Å; F112-F351 HydrophobicContact CZ-CE2 3.53Å; F112-F351 AromaticContact CZ-CG 3.65Å; F112-F351 HydrophobicContact CZ-CG 3.65Å; F112-F351 AromaticContact CZ-CZ 3.52Å; F112-F351 HydrophobicContact CZ-CZ 3.52Å; F116-F351 HydrophobicContact CD2-CZ 4.41Å; F116-F351 AromaticContact CE2-CE1 3.62Å; F116-F351 HydrophobicContact CE2-CE1 3.62Å; F116-F351 AromaticContact CE2-CZ 3.7Å; F116-F351 HydrophobicContact CE2-CZ 3.7Å; F116-F351 AromaticContact CZ-CE1 3.79Å; F116-F351 HydrophobicContact CZ-CE1 3.79Å; F116-F351 HydrophobicContact CZ-CZ 4.01Å; V146-F351 HydrophobicContact CB-CZ 4.15Å; V146-F351 HydrophobicContact CG1-CD2 4.22Å; V146-F351 HydrophobicContact CG1-CE1 4.26Å; V146-F351 HydrophobicContact CG1-CE2 3.54Å; V146-F351 HydrophobicContact CG1-CZ 3.59Å; V146-F351 HydrophobicContact CG2-CD1 4.24Å; V146-F351 HydrophobicContact CG2-CE1 3.52Å; V146-F351 HydrophobicContact CG2-CE2 4.35Å; V146-F351 HydrophobicContact CG2-CZ 3.59Å; F347-F351 HydrophobicContact CD2-CE2 4.4Å; F347-F351 HydrophobicContact CE1-CD2 4.46Å; F347-F351 AromaticContact CE1-CE2 3.98Å; F347-F351 HydrophobicContact CE1-CE2 3.98Å; F347-F351 AromaticContact CE2-CE2 3.76Å; F347-F351 HydrophobicContact CE2-CE2 3.76Å; F347-F351 HydrophobicContact CZ-CD2 4.4Å; F347-F351 AromaticContact CZ-CE2 3.54Å; F347-F351 HydrophobicContact CZ-CE2 3.54Å; F347-F351 HydrophobicContact CZ-CZ 4.34Å; F347-F351 PolarHBondContact O-N 3.25Å; V348-F351 PolarHBondContact O-N 2.83Å; F351-K353 VanDerWaalsContact C-N 3.34Å; F351-K353 PolarHBondContact O-N 3.19Å; F351-F354 WeakPolarHBondContact O-CB 3.25Å; F351-F354 PolarHBondContact O-N 3.24Å; F351-L355 PolarHBondContact O-N 3.11Å; F351-I378 HydrophobicContact CD1-CD1 3.95Å; F351-I378 HydrophobicContact CE1-CD1 3.89Å; F351-Y417 HydrophobicContact CB-CD1 4.15Å; F351-Y417 WeakPolarHBondContact CB-O 3.23Å; F351-Y417 HydrophobicContact CD1-CD1 4.27Å; F351-Y417 WeakPolarHBondContact O-CD1 3.46Å
352	E	86.5	Confident	80.8	Confident	73 Å²	73	60.2 Å²	60.2	34%	0.341	32%	0.318	S	S	.	.	H	α-helix	trans	-60.7	-45.4	173.4	-163.7	-169.9	154	0	0	111.4	V348 S349 F354 L355 K356 T418	V348-E352 PolarHBondContact O-N 3.47Å; S349-E352 PolarHBondContact O-N 3.49Å; E352-F354 VanDerWaalsContact C-N 3.3Å; E352-F354 PolarHBondContact O-N 3.08Å; E352-L355 PolarHBondContact O-N 3.21Å; E352-K356 HydrophobicContact CG-CD 4.48Å; E352-K356 WeakPolarHBondContact O-CB 3.26Å; E352-K356 WeakPolarHBondContact O-CG 3.48Å; E352-K356 PolarHBondContact O-N 3.21Å; E352-K356 WeakPolarHBondContact OE1-CE 3.49Å; E352-K356 IonicContact OE1-NZ 3.16Å; E352-K356 PolarHBondContact OE1-NZ 3.41Å; E352-T418 HydrophobicContact CB-CG2 3.71Å; E352-T418 HydrophobicContact CG-CG2 4.01Å
353	K	87	Confident	82.6	Confident	142 Å²	142	54.6 Å²	54.6	62%	0.617	29%	0.292	S	S	*	.	H	α-helix	trans	-62.7	-38.9	174.1	-71.5	170.1	-174.8	171.4	0	111.4	S349 S350 F351 K356 A357	S349-K353 VanDerWaalsContact O-CG 3.31Å; S349-K353 WeakPolarHBondContact O-CG 3.18Å; S349-K353 PolarHBondContact O-N 3.09Å; S350-K353 PolarHBondContact O-N 3.1Å; F351-K353 VanDerWaalsContact C-N 3.34Å; F351-K353 PolarHBondContact O-N 3.19Å; K353-K356 PolarHBondContact O-N 3.5Å; K353-A357 VanDerWaalsContact O-CB 3.3Å; K353-A357 WeakPolarHBondContact O-CB 3.33Å; K353-A357 PolarHBondContact O-N 3.34Å
354	F	87.1	Confident	84.4	Confident	13 Å²	13	53 Å²	53	6%	0.057	28%	0.283	C	S	.	.	H	α-helix	trans	-65	-44.4	179.9	-173.6	-129	0	0	0	112.2	S142 F145 V146 S350 F351 E352 A357 K358 T359 H375 I378	S142-F354 WeakPolarHBondContact O-CE1 3.24Å; S142-F354 WeakPolarHBondContact O-CZ 3.38Å; F145-F354 HydrophobicContact CB-CD2 4.08Å; F145-F354 HydrophobicContact CB-CE2 3.34Å; F145-F354 HydrophobicContact CB-CZ 3.89Å; F145-F354 HydrophobicContact CD2-CE2 4.45Å; F145-F354 HydrophobicContact CG-CE2 4.18Å; V146-F354 HydrophobicContact CG2-CD1 4.18Å; V146-F354 HydrophobicContact CG2-CE1 4.35Å; S350-F354 VanDerWaalsContact O-CB 3.29Å; S350-F354 WeakPolarHBondContact O-CB 3.36Å; S350-F354 PolarHBondContact O-N 2.98Å; F351-F354 WeakPolarHBondContact O-CB 3.25Å; F351-F354 PolarHBondContact O-N 3.24Å; E352-F354 VanDerWaalsContact C-N 3.3Å; E352-F354 PolarHBondContact O-N 3.08Å; F354-A357 PolarHBondContact O-N 2.86Å; F354-K358 PolarHBondContact O-N 3.17Å; F354-T359 HydrophobicContact CE2-CG2 4.24Å; F354-T359 WeakPolarHBondContact CE2-O 3.4Å; F354-T359 VanDerWaalsContact CZ-O 3.31Å; F354-T359 WeakPolarHBondContact CZ-O 3.27Å; F354-H375 AromaticContact CD1-CE1 3.57Å; F354-H375 AromaticContact CD1-ND1 3.96Å; F354-H375 AromaticContact CE1-CD2 3.74Å; F354-H375 AromaticContact CE1-CE1 3.26Å; F354-H375 WeakPolarHBondContact CE1-CE1 3.49Å; F354-H375 AromaticContact CE1-CG 3.92Å; F354-H375 AromaticContact CE1-ND1 3.64Å; F354-H375 AromaticContact CE1-NE2 3.33Å; F354-H375 VanDerWaalsContact CE1-NE2 3.33Å; F354-H375 WeakPolarHBondContact CE1-NE2 3.49Å; F354-H375 AromaticContact CE2-NE2 3.95Å; F354-H375 AromaticContact CZ-CD2 3.81Å; F354-H375 AromaticContact CZ-CE1 3.6Å; F354-H375 AromaticContact CZ-NE2 3.23Å; F354-H375 WeakPolarHBondContact CZ-NE2 3.5Å; F354-I378 HydrophobicContact CD1-CD1 4.24Å; F354-I378 HydrophobicContact CE1-CD1 4.17Å
355	L	90.1	Very high	85.9	Confident	28 Å²	28	52.3 Å²	52.3	15%	0.147	28%	0.276	C	S	.	.	H	α-helix	trans	-59.7	-48.5	171.7	178.1	62.1	0	0	0	111.6	F351 E352 A357 K358 A374 I413 Y417	F351-L355 PolarHBondContact O-N 3.11Å; E352-L355 PolarHBondContact O-N 3.21Å; L355-A357 VanDerWaalsContact C-N 3.33Å; L355-A357 PolarHBondContact O-N 3.14Å; L355-K358 PolarHBondContact O-N 3.08Å; L355-K358 VanDerWaalsContact O-N 3.09Å; L355-A374 HydrophobicContact CD1-CB 4.47Å; L355-I413 HydrophobicContact CD1-CG2 4.04Å; L355-I413 HydrophobicContact CD2-CG2 3.86Å; L355-Y417 HydrophobicContact CB-CD1 3.74Å; L355-Y417 HydrophobicContact CB-CE1 3.83Å; L355-Y417 HydrophobicContact CB-CG 4.18Å; L355-Y417 HydrophobicContact CD1-CE1 4.23Å; L355-Y417 HydrophobicContact CD1-CE2 4.05Å; L355-Y417 HydrophobicContact CD2-CD1 4.48Å; L355-Y417 HydrophobicContact CD2-CD2 4.05Å; L355-Y417 HydrophobicContact CD2-CE2 4.4Å; L355-Y417 HydrophobicContact CD2-CG 4.09Å; L355-Y417 HydrophobicContact CG-CE1 4.49Å
356	K	90.9	Very high	87.2	Confident	146 Å²	146	48.1 Å²	48.1	64%	0.635	26%	0.26	S	S	*	.	H	α-helix	trans	-62	-38.5	-179.9	-76.8	172.9	173	170.6	0	112.9	E352 K353 K358	E352-K356 HydrophobicContact CG-CD 4.48Å; E352-K356 WeakPolarHBondContact O-CB 3.26Å; E352-K356 WeakPolarHBondContact O-CG 3.48Å; E352-K356 PolarHBondContact O-N 3.21Å; E352-K356 WeakPolarHBondContact OE1-CE 3.49Å; E352-K356 IonicContact OE1-NZ 3.16Å; E352-K356 PolarHBondContact OE1-NZ 3.41Å; K353-K356 PolarHBondContact O-N 3.5Å; K356-K358 PolarHBondContact O-N 3.45Å
357	A	90.6	Very high	88.4	Confident	60 Å²	60	46 Å²	46	50%	0.496	24%	0.243	S	C	.	.	H	α-helix	trans	-69.8	-17.5	177.7	0	0	0	0	0	113	K353 F354 L355 T359	K353-A357 VanDerWaalsContact O-CB 3.3Å; K353-A357 WeakPolarHBondContact O-CB 3.33Å; K353-A357 PolarHBondContact O-N 3.34Å; F354-A357 PolarHBondContact O-N 2.86Å; L355-A357 VanDerWaalsContact C-N 3.33Å; L355-A357 PolarHBondContact O-N 3.14Å; A357-T359 WeakPolarHBondContact CB-OG1 3.24Å; A357-T359 PolarHBondContact O-N 2.72Å
358	K	90.2	Very high	89.3	Confident	119 Å²	119	46.8 Å²	46.8	52%	0.517	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	15.7	-175.9	-57.4	-178.5	172.8	-166.4	0	114.1	F354 L355 K356 A360 T361 T373	F354-K358 PolarHBondContact O-N 3.17Å; L355-K358 PolarHBondContact O-N 3.08Å; L355-K358 VanDerWaalsContact O-N 3.09Å; K356-K358 PolarHBondContact O-N 3.45Å; K358-A360 PolarHBondContact O-N 2.85Å; K358-T361 HydrophobicContact CB-CG2 4.22Å; K358-T361 WeakPolarHBondContact O-CG2 3.49Å; K358-T361 PolarHBondContact O-N 3.3Å; K358-T361 PolarHBondContact O-OG1 3.29Å; K358-T361 VanDerWaalsContact O-OG1 3.11Å; K358-T373 VanDerWaalsContact CD-OG1 3.29Å; K358-T373 WeakPolarHBondContact CD-OG1 3.48Å; K358-T373 WeakPolarHBondContact CE-OG1 3.45Å
359	T	84.2	Confident	90.1	Very high	56 Å²	56	51.1 Å²	51.1	34%	0.344	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	119.8	-175.2	-58.6	0	0	0	0	110.5	F145 F354 A357 T361 H375	F145-T359 HydrophobicContact CB-CG2 4.44Å; F145-T359 HydrophobicContact CD1-CG2 3.9Å; F145-T359 HydrophobicContact CD2-CG2 4.14Å; F145-T359 HydrophobicContact CE1-CG2 4.16Å; F145-T359 HydrophobicContact CE2-CG2 4.4Å; F145-T359 HydrophobicContact CG-CG2 3.9Å; F145-T359 HydrophobicContact CZ-CG2 4.41Å; F354-T359 HydrophobicContact CE2-CG2 4.24Å; F354-T359 WeakPolarHBondContact CE2-O 3.4Å; F354-T359 VanDerWaalsContact CZ-O 3.31Å; F354-T359 WeakPolarHBondContact CZ-O 3.27Å; A357-T359 WeakPolarHBondContact CB-OG1 3.24Å; A357-T359 PolarHBondContact O-N 2.72Å; T359-T361 PolarHBondContact O-N 2.91Å; T359-H375 PolarHBondContact O-NE2 2.87Å
360	A	84.1	Confident	90.8	Very high	39 Å²	39	51.1 Å²	51.1	32%	0.322	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	24.8	179.3	0	0	0	0	0	115.1	F145 K358 D362 H375	F145-A360 HydrophobicContact CD2-CB 3.77Å; F145-A360 HydrophobicContact CE2-CB 3.65Å; K358-A360 PolarHBondContact O-N 2.85Å; A360-D362 PolarHBondContact O-N 3.3Å; A360-H375 PolarHBondContact O-CD2 3.23Å
361	T	90.7	Very high	91.4	Very high	20 Å²	20	53.7 Å²	53.7	12%	0.123	29%	0.292	C	S	.	.			trans	-60.4	134.6	166.8	56	0	0	0	0	110.1	K358 T359 A374 H375 R396	K358-T361 HydrophobicContact CB-CG2 4.22Å; K358-T361 WeakPolarHBondContact O-CG2 3.49Å; K358-T361 PolarHBondContact O-N 3.3Å; K358-T361 PolarHBondContact O-OG1 3.29Å; K358-T361 VanDerWaalsContact O-OG1 3.11Å; T359-T361 PolarHBondContact O-N 2.91Å; T361-A374 WeakPolarHBondContact CA-O 3.36Å; T361-A374 VanDerWaalsContact CB-O 3.25Å; T361-A374 WeakPolarHBondContact CB-O 3.5Å; T361-H375 PolarHBondContact N-NE2 2.83Å; T361-R396 PolarHBondContact O-NH1 3.41Å; T361-R396 PolarHBondContact O-NH2 3.12Å; T361-R396 PolarHBondContact OG1-NH2 3.46Å
362	D	91.6	Very high	92	Very high	37 Å²	37	53.9 Å²	53.9	20%	0.198	29%	0.293	C	S	.	.			trans	-126.2	5.5	-174.4	55.9	-1.7	0	0	0	112.8	Q140 A360 A374 H375 K376 R396 S397	Q140-D362 PolarHBondContact NE2-OD2 3.34Å; A360-D362 PolarHBondContact O-N 3.3Å; D362-A374 PolarHBondContact N-O 3.23Å; D362-A374 VanDerWaalsContact N-O 3.15Å; D362-H375 WeakPolarHBondContact OD1-CA 3.38Å; D362-K376 WeakPolarHBondContact OD1-CB 3.46Å; D362-K376 PolarHBondContact OD1-N 3.09Å; D362-R396 WeakPolarHBondContact O-CA 3.47Å; D362-S397 PolarHBondContact O-N 2.92Å; D362-S397 VanDerWaalsContact O-N 3.07Å
363	M	92.9	Very high	92.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	145.1	-177.3	-178.9	169.7	171.7	0	0	112.3	V365 T373 A374 K376 L379 I390 R396 S397 L399	M363-V365 HydrophobicContact CE-CG2 4.47Å; M363-T373 CarbonylContact O-C 3.41Å; M363-T373 WeakPolarHBondContact O-CA 3.24Å; M363-A374 PolarHBondContact N-O 2.93Å; M363-A374 VanDerWaalsContact N-O 3.08Å; M363-A374 PolarHBondContact O-N 2.83Å; M363-A374 VanDerWaalsContact O-O 3.12Å; M363-K376 HydrophobicContact CB-CB 4.02Å; M363-K376 HydrophobicContact SD-CB 3.9Å; M363-K376 HydrophobicContact SD-CG 3.97Å; M363-L379 HydrophobicContact CE-CD1 3.83Å; M363-L379 HydrophobicContact CG-CD1 4.45Å; M363-L379 HydrophobicContact SD-CD1 3.66Å; M363-I390 HydrophobicContact CE-CD1 3.72Å; M363-I390 HydrophobicContact CE-CG1 3.56Å; M363-I390 HydrophobicContact SD-CD1 3.87Å; M363-I390 HydrophobicContact SD-CG1 4.27Å; M363-R396 PolarHBondContact O-NH2 3.13Å; M363-S397 CarbonylContact C-O 3.57Å; M363-S397 WeakPolarHBondContact CA-O 2.81Å; M363-S397 WeakPolarHBondContact CG-O 3.42Å; M363-L399 HydrophobicContact CE-CB 3.3Å; M363-L399 HydrophobicContact CE-CD2 4.19Å; M363-L399 HydrophobicContact CE-CG 4.32Å
364	D	95.3	Very high	92.8	Very high	32 Å²	32	45 Å²	45	17%	0.171	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.7	176.4	-64.9	-17.8	0	0	0	110.3	V371 T373 R396 S397 I398 L399	D364-V371 HydrophobicContact CB-CG1 3.79Å; D364-T373 WeakPolarHBondContact OD1-CG2 3.31Å; D364-R396 IonicContact OD1-CZ 3.58Å; D364-R396 IonicContact OD1-NE 2.78Å; D364-R396 PolarHBondContact OD1-NE 3.32Å; D364-R396 IonicContact OD1-NH2 3.48Å; D364-R396 PolarHBondContact OD1-NH2 2.86Å; D364-R396 WeakPolarHBondContact OD2-CD 3.49Å; D364-R396 IonicContact OD2-NE 3.58Å; D364-R396 PolarHBondContact OD2-NE 2.58Å; D364-S397 PolarHBondContact N-O 2.76Å; D364-I398 CarbonylContact O-C 3.53Å; D364-I398 WeakPolarHBondContact O-CA 2.94Å; D364-L399 PolarHBondContact O-N 3.44Å
365	V	96.7	Very high	93.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	114.1	174.6	-177.3	0	0	0	0	107.9	M363 A367 V371 I372 L379 L399 A401 M409 I413	M363-V365 HydrophobicContact CE-CG2 4.47Å; V365-A367 PolarHBondContact O-N 2.87Å; V365-V371 WeakPolarHBondContact O-CA 3.26Å; V365-I372 HydrophobicContact CB-CB 4.38Å; V365-I372 PolarHBondContact N-O 3.46Å; V365-I372 PolarHBondContact O-N 2.87Å; V365-L379 HydrophobicContact CG2-CD1 4.07Å; V365-L399 WeakPolarHBondContact CA-O 3.1Å; V365-L399 HydrophobicContact CG1-CD2 4.22Å; V365-L399 HydrophobicContact CG2-CB 4.35Å; V365-L399 HydrophobicContact CG2-CD2 4.31Å; V365-A401 HydrophobicContact CG1-CB 4.03Å; V365-M409 HydrophobicContact CG1-CE 3.48Å; V365-M409 VanDerWaalsContact CG1-CE 3.48Å; V365-I413 HydrophobicContact CB-CD1 4.08Å; V365-I413 HydrophobicContact CG1-CD1 4.29Å; V365-I413 HydrophobicContact CG2-CD1 3.92Å
366	I	96.6	Very high	93.1	Very high	54 Å²	54	44.7 Å²	44.7	28%	0.277	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	102.8	-177	-54.6	178.8	0	0	0	108	V371 I398 L399 A401 T402	I366-V371 HydrophobicContact CG1-CG2 4.42Å; I366-I398 HydrophobicContact CD1-CG2 3.45Å; I366-I398 VanDerWaalsContact CD1-CG2 3.45Å; I366-I398 HydrophobicContact CG1-CG2 3.93Å; I366-L399 PolarHBondContact N-O 2.9Å; I366-A401 CarbonylContact O-C 3.51Å; I366-A401 VanDerWaalsContact O-CA 3.26Å; I366-A401 WeakPolarHBondContact O-CA 3.47Å; I366-A401 PolarHBondContact O-N 3.17Å; I366-T402 HydrophobicContact CG2-CG2 3.79Å; I366-T402 PolarHBondContact O-N 2.86Å; I366-T402 VanDerWaalsContact O-N 3.16Å
367	A	97.2	Very high	92.9	Very high	4 Å²	4	38 Å²	38	3%	0.033	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	176.3	170.6	0	0	0	0	0	110.3	V365 D369 C370 C406 M409	V365-A367 PolarHBondContact O-N 2.87Å; A367-D369 VanDerWaalsContact C-N 3.27Å; A367-D369 PolarHBondContact O-N 2.77Å; A367-C370 PolarHBondContact N-O 3.28Å; A367-C406 HydrophobicContact CB-CB 4.47Å; A367-M409 HydrophobicContact CB-CB 4.33Å; A367-M409 HydrophobicContact CB-CG 4.11Å
368	S	96.7	Very high	92.9	Very high	73 Å²	73	35.4 Å²	35.4	51%	0.51	20%	0.203	S	C	.	.	S	Bend	trans	-60.8	-35	-178.5	66.9	0	0	0	0	113.4	T402 F404	S368-T402 WeakPolarHBondContact CB-O 3.25Å; S368-F404 WeakPolarHBondContact CB-O 3.47Å; S368-F404 PolarHBondContact N-O 3.2Å; S368-F404 PolarHBondContact OG-O 2.87Å
369	D	95.6	Very high	92.9	Very high	111 Å²	111	29.8 Å²	29.8	59%	0.594	18%	0.178	S	C	*	.	S	Bend	trans	-127.9	3	-171.1	63.2	-33.5	0	0	0	113.8	A367 C406	A367-D369 VanDerWaalsContact C-N 3.27Å; A367-D369 PolarHBondContact O-N 2.77Å; D369-C406 WeakPolarHBondContact OD1-CA 3.37Å; D369-C406 WeakPolarHBondContact OD1-CB 3.46Å; D369-C406 PolarHBondContact OD1-N 3Å
370	C	96.8	Very high	93.2	Very high	34 Å²	34	28.8 Å²	28.8	23%	0.23	17%	0.171	C	C	.	.			trans	-158	171.5	176.8	87.2	0	0	0	0	113.7	A367 C406	A367-C370 PolarHBondContact N-O 3.28Å; C370-C406 HydrophobicContact CB-CB 3.65Å; C370-C406 WeakPolarHBondContact CB-SG 3.3Å; C370-C406 WeakPolarHBondContact SG-CB 3.45Å; C370-C406 CovalentContact SG-SG 2.02Å; C370-C406 PolarHBondContact SG-SG 2.92Å
371	V	95.8	Very high	93.1	Very high	82 Å²	82	27.8 Å²	27.8	50%	0.497	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125.7	170.4	-178.3	0	0	0	0	109.7	D364 V365 I366	D364-V371 HydrophobicContact CB-CG1 3.79Å; V365-V371 WeakPolarHBondContact O-CA 3.26Å; I366-V371 HydrophobicContact CG1-CG2 4.42Å
372	I	96.5	Very high	92.8	Very high	8 Å²	8	29.1 Å²	29.1	4%	0.041	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115.5	-180	-50.6	172.7	0	0	0	109.5	V365 M409 H410 I413	V365-I372 HydrophobicContact CB-CB 4.38Å; V365-I372 PolarHBondContact N-O 3.46Å; V365-I372 PolarHBondContact O-N 2.87Å; I372-M409 HydrophobicContact CD1-CB 3.69Å; I372-H410 HydrophobicContact CD1-CB 4.3Å; I372-I413 HydrophobicContact CB-CD1 3.85Å; I372-I413 HydrophobicContact CD1-CD1 3.86Å; I372-I413 HydrophobicContact CG1-CD1 4.46Å; I372-I413 HydrophobicContact CG2-CD1 3.57Å
373	T	95.2	Very high	92.7	Very high	29 Å²	29	27.4 Å²	27.4	18%	0.178	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	126.9	177.3	58.2	0	0	0	0	110.7	K358 M363 D364	K358-T373 VanDerWaalsContact CD-OG1 3.29Å; K358-T373 WeakPolarHBondContact CD-OG1 3.48Å; K358-T373 WeakPolarHBondContact CE-OG1 3.45Å; M363-T373 CarbonylContact O-C 3.41Å; M363-T373 WeakPolarHBondContact O-CA 3.24Å; D364-T373 WeakPolarHBondContact OD1-CG2 3.31Å
374	A	94.7	Very high	92.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	-179.4	-176.6	0	0	0	0	0	112.4	L355 T361 D362 M363 L379	L355-A374 HydrophobicContact CD1-CB 4.47Å; T361-A374 WeakPolarHBondContact CA-O 3.36Å; T361-A374 VanDerWaalsContact CB-O 3.25Å; T361-A374 WeakPolarHBondContact CB-O 3.5Å; D362-A374 PolarHBondContact N-O 3.23Å; D362-A374 VanDerWaalsContact N-O 3.15Å; M363-A374 PolarHBondContact N-O 2.93Å; M363-A374 VanDerWaalsContact N-O 3.08Å; M363-A374 PolarHBondContact O-N 2.83Å; M363-A374 VanDerWaalsContact O-O 3.12Å; A374-L379 HydrophobicContact CB-CD1 3.98Å; A374-L379 HydrophobicContact CB-CG 4.44Å
375	H	92.2	Very high	92.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.194	C	C	.	.			trans	-99.6	119.8	175.3	-50.7	90.4	0	0	0	110.6	F354 T359 A360 T361 D362 S377 I378 L379 Y417	F354-H375 AromaticContact CD1-CE1 3.57Å; F354-H375 AromaticContact CD1-ND1 3.96Å; F354-H375 AromaticContact CE1-CD2 3.74Å; F354-H375 AromaticContact CE1-CE1 3.26Å; F354-H375 WeakPolarHBondContact CE1-CE1 3.49Å; F354-H375 AromaticContact CE1-CG 3.92Å; F354-H375 AromaticContact CE1-ND1 3.64Å; F354-H375 AromaticContact CE1-NE2 3.33Å; F354-H375 VanDerWaalsContact CE1-NE2 3.33Å; F354-H375 WeakPolarHBondContact CE1-NE2 3.49Å; F354-H375 AromaticContact CE2-NE2 3.95Å; F354-H375 AromaticContact CZ-CD2 3.81Å; F354-H375 AromaticContact CZ-CE1 3.6Å; F354-H375 AromaticContact CZ-NE2 3.23Å; F354-H375 WeakPolarHBondContact CZ-NE2 3.5Å; T359-H375 PolarHBondContact O-NE2 2.87Å; A360-H375 PolarHBondContact O-CD2 3.23Å; T361-H375 PolarHBondContact N-NE2 2.83Å; D362-H375 WeakPolarHBondContact OD1-CA 3.38Å; H375-S377 VanDerWaalsContact C-N 3.31Å; H375-S377 PolarHBondContact O-N 2.81Å; H375-I378 HydrophobicContact CB-CB 4.25Å; H375-I378 HydrophobicContact CB-CD1 3.93Å; H375-I378 HydrophobicContact CB-CG1 4.02Å; H375-I378 PolarHBondContact O-N 2.85Å; H375-L379 PolarHBondContact O-N 3.26Å; H375-Y417 VanDerWaalsContact CB-OH 3.32Å; H375-Y417 WeakPolarHBondContact CB-OH 3.39Å; H375-Y417 PolarHBondContact N-OH 3.12Å; H375-Y417 AromaticContact ND1-CE1 3.62Å; H375-Y417 AromaticContact ND1-CZ 3.61Å; H375-Y417 PolarHBondContact ND1-OH 2.66Å
376	K	91.3	Very high	91.8	Very high	33 Å²	33	33 Å²	33	14%	0.143	19%	0.193	C	C	.	.	H	α-helix	trans	-53.4	-48	179.6	-176.7	-179.3	-174.3	170.8	0	112.2	D362 M363 I378 L379 L380 I390 E392 S397	D362-K376 WeakPolarHBondContact OD1-CB 3.46Å; D362-K376 PolarHBondContact OD1-N 3.09Å; M363-K376 HydrophobicContact CB-CB 4.02Å; M363-K376 HydrophobicContact SD-CB 3.9Å; M363-K376 HydrophobicContact SD-CG 3.97Å; K376-I378 VanDerWaalsContact C-N 3.32Å; K376-I378 PolarHBondContact O-N 3.49Å; K376-L379 PolarHBondContact O-N 2.87Å; K376-L380 HydrophobicContact CD-CD1 4.45Å; K376-L380 HydrophobicContact CG-CD1 3.82Å; K376-L380 HydrophobicContact CG-CG 4.29Å; K376-L380 WeakPolarHBondContact O-CB 3.32Å; K376-L380 VanDerWaalsContact O-CG 3.31Å; K376-L380 WeakPolarHBondContact O-CG 3.4Å; K376-L380 PolarHBondContact O-N 3.44Å; K376-I390 HydrophobicContact CG-CD1 4.19Å; K376-E392 VanDerWaalsContact NZ-CD 3.31Å; K376-E392 IonicContact NZ-OE1 2.8Å; K376-E392 PolarHBondContact NZ-OE1 3.47Å; K376-E392 IonicContact NZ-OE2 3.68Å; K376-E392 PolarHBondContact NZ-OE2 3.16Å; K376-S397 WeakPolarHBondContact CD-OG 3.05Å; K376-S397 PolarHBondContact NZ-OG 2.61Å; K376-S397 VanDerWaalsContact NZ-OG 3.1Å
377	S	87	Confident	91.5	Very high	7 Å²	7	35.6 Å²	35.6	5%	0.049	21%	0.207	C	C	.	.	H	α-helix	trans	-57.4	-45.3	-178.2	51.3	0	0	0	0	111.9	I119 H375 L380 A381	I119-S377 VanDerWaalsContact CD1-O 3.27Å; I119-S377 WeakPolarHBondContact CD1-O 3.25Å; H375-S377 VanDerWaalsContact C-N 3.31Å; H375-S377 PolarHBondContact O-N 2.81Å; S377-L380 PolarHBondContact O-N 3.16Å; S377-A381 PolarHBondContact O-N 3.34Å
378	I	89.5	Confident	91.1	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-68	-41.1	-178.1	-60.8	178	0	0	0	111.3	F116 F351 F354 H375 K376 A381 R382 I416 Y417	F116-I378 HydrophobicContact CE2-CG1 4.13Å; F116-I378 HydrophobicContact CZ-CD1 4.27Å; F116-I378 HydrophobicContact CZ-CG1 3.79Å; F351-I378 HydrophobicContact CD1-CD1 3.95Å; F351-I378 HydrophobicContact CE1-CD1 3.89Å; F354-I378 HydrophobicContact CD1-CD1 4.24Å; F354-I378 HydrophobicContact CE1-CD1 4.17Å; H375-I378 HydrophobicContact CB-CB 4.25Å; H375-I378 HydrophobicContact CB-CD1 3.93Å; H375-I378 HydrophobicContact CB-CG1 4.02Å; H375-I378 PolarHBondContact O-N 2.85Å; K376-I378 VanDerWaalsContact C-N 3.32Å; K376-I378 PolarHBondContact O-N 3.49Å; I378-A381 PolarHBondContact O-N 3.49Å; I378-R382 WeakPolarHBondContact O-CG 3.43Å; I378-R382 PolarHBondContact O-N 2.89Å; I378-I416 HydrophobicContact CG2-CG2 3.87Å; I378-Y417 HydrophobicContact CB-CE1 4.41Å; I378-Y417 HydrophobicContact CB-CE2 4.35Å; I378-Y417 HydrophobicContact CD1-CD1 4.21Å; I378-Y417 HydrophobicContact CD1-CE1 3.46Å; I378-Y417 VanDerWaalsContact CD1-CE1 3.46Å; I378-Y417 HydrophobicContact CG2-CD1 4.27Å; I378-Y417 HydrophobicContact CG2-CD2 4.06Å; I378-Y417 HydrophobicContact CG2-CE1 4.02Å; I378-Y417 HydrophobicContact CG2-CE2 3.79Å; I378-Y417 HydrophobicContact CG2-CG 4.29Å
379	L	91.5	Very high	90.8	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-61.5	-48.2	175.9	-65.9	177.9	0	0	0	111	M363 V365 A374 H375 K376 A381 R382 S383 M386 I413 I416	M363-L379 HydrophobicContact CE-CD1 3.83Å; M363-L379 HydrophobicContact CG-CD1 4.45Å; M363-L379 HydrophobicContact SD-CD1 3.66Å; V365-L379 HydrophobicContact CG2-CD1 4.07Å; A374-L379 HydrophobicContact CB-CD1 3.98Å; A374-L379 HydrophobicContact CB-CG 4.44Å; H375-L379 PolarHBondContact O-N 3.26Å; K376-L379 PolarHBondContact O-N 2.87Å; L379-A381 VanDerWaalsContact C-N 3.34Å; L379-A381 PolarHBondContact O-N 2.71Å; L379-R382 PolarHBondContact O-N 3.26Å; L379-R382 VanDerWaalsContact O-N 3.14Å; L379-S383 PolarHBondContact O-N 3.32Å; L379-M386 HydrophobicContact CB-SD 4.01Å; L379-I413 HydrophobicContact CD2-CG1 4.33Å; L379-I416 HydrophobicContact CD2-CB 4.38Å; L379-I416 HydrophobicContact CD2-CD1 3.37Å; L379-I416 HydrophobicContact CD2-CG1 4.44Å; L379-I416 HydrophobicContact CD2-CG2 3.89Å
380	L	88.7	Confident	90.7	Very high	35 Å²	35	35.9 Å²	35.9	18%	0.183	21%	0.209	C	C	.	.	H	α-helix	trans	-65.6	-32.7	-179.8	-68.9	-178.8	0	0	0	113.8	K376 S377 R382 S383 P384 M386 L387 I390	K376-L380 HydrophobicContact CD-CD1 4.45Å; K376-L380 HydrophobicContact CG-CD1 3.82Å; K376-L380 HydrophobicContact CG-CG 4.29Å; K376-L380 WeakPolarHBondContact O-CB 3.32Å; K376-L380 VanDerWaalsContact O-CG 3.31Å; K376-L380 WeakPolarHBondContact O-CG 3.4Å; K376-L380 PolarHBondContact O-N 3.44Å; S377-L380 PolarHBondContact O-N 3.16Å; L380-R382 PolarHBondContact O-N 3.49Å; L380-S383 CarbonylContact O-C 3.52Å; L380-P384 WeakPolarHBondContact O-CA 3.46Å; L380-M386 HydrophobicContact CD2-CB 3.98Å; L380-L387 HydrophobicContact CD1-CD1 3.83Å; L380-L387 HydrophobicContact CD2-CB 3.77Å; L380-L387 HydrophobicContact CD2-CD1 4.3Å; L380-L387 VanDerWaalsContact CD2-N 3.31Å; L380-I390 HydrophobicContact CD1-CD1 4.35Å; L380-I390 HydrophobicContact CD2-CD1 3.76Å; L380-I390 HydrophobicContact CG-CD1 4.19Å
381	A	83.5	Confident	90.4	Very high	18 Å²	18	39.7 Å²	39.7	15%	0.149	22%	0.224	C	C	.	.	H	α-helix	trans	-57.3	-39.9	173.2	0	0	0	0	0	112	I119 S377 I378 L379	I119-A381 HydrophobicContact CD1-CB 3.33Å; I119-A381 HydrophobicContact CG1-CB 4.01Å; S377-A381 PolarHBondContact O-N 3.34Å; I378-A381 PolarHBondContact O-N 3.49Å; L379-A381 VanDerWaalsContact C-N 3.34Å; L379-A381 PolarHBondContact O-N 2.71Å
382	R	83.6	Confident	90	Very high	48 Å²	48	42 Å²	42	18%	0.181	23%	0.229	C	C	.	.	H	α-helix	trans	-95.9	-24.8	-169.9	-61.1	-76.4	-91.1	118.7	-5.7	112	I378 L379 L380 Y415 I416 D419	I378-R382 WeakPolarHBondContact O-CG 3.43Å; I378-R382 PolarHBondContact O-N 2.89Å; L379-R382 PolarHBondContact O-N 3.26Å; L379-R382 VanDerWaalsContact O-N 3.14Å; L380-R382 PolarHBondContact O-N 3.49Å; R382-Y415 PolarHBondContact NH2-O 3.07Å; R382-Y415 VanDerWaalsContact NH2-O 3.16Å; R382-I416 HydrophobicContact CB-CB 4.4Å; R382-I416 HydrophobicContact CB-CG1 4.17Å; R382-I416 HydrophobicContact CB-CG2 3.87Å; R382-I416 HydrophobicContact CG-CB 4.46Å; R382-I416 HydrophobicContact CG-CG2 3.73Å; R382-I416 PolarHBondContact NE-O 3.13Å; R382-D419 IonicContact CZ-OD1 2.81Å; R382-D419 IonicContact NH1-OD1 2.74Å; R382-D419 IonicContact NH2-OD1 2.71Å; R382-D419 PolarHBondContact NH2-OD1 2.98Å
383	S	89	Confident	89	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.007	24%	0.244	C	C	.	.			trans	-141.3	91.8	171.3	178.5	0	0	0	0	110.2	L379 L380 V385 M386 Y438	L379-S383 PolarHBondContact O-N 3.32Å; L380-S383 CarbonylContact O-C 3.52Å; S383-V385 PolarHBondContact O-N 3.36Å; S383-M386 WeakPolarHBondContact O-CB 3.39Å; S383-M386 PolarHBondContact O-N 3.19Å; S383-Y438 WeakPolarHBondContact CB-O 3.26Å; S383-Y438 PolarHBondContact OG-O 3.13Å
384	P	86.5	Confident	87.9	Confident	90 Å²	90	53.9 Å²	53.9	58%	0.584	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-61.3	-24.9	176.8	-26.2	35.7	0	0	0	113.7	L380 M386 L387	L380-P384 WeakPolarHBondContact O-CA 3.46Å; P384-M386 PolarHBondContact O-N 3.22Å; P384-L387 VanDerWaalsContact O-CB 3.24Å; P384-L387 WeakPolarHBondContact O-CB 3.19Å; P384-L387 PolarHBondContact O-N 3.19Å; P384-L387 VanDerWaalsContact O-N 3.11Å
385	V	90.1	Very high	87.1	Confident	62 Å²	62	61.2 Å²	61.2	38%	0.376	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-63.7	-28.5	179	174.9	0	0	0	0	112	S383 L387 S388 K439	S383-V385 PolarHBondContact O-N 3.36Å; V385-L387 PolarHBondContact O-N 3.36Å; V385-L387 VanDerWaalsContact O-N 3.08Å; V385-S388 PolarHBondContact O-N 3.06Å; V385-S388 PolarHBondContact O-OG 2.66Å; V385-S388 VanDerWaalsContact O-OG 3.09Å; V385-K439 HydrophobicContact CG2-CB 4.19Å; V385-K439 HydrophobicContact CG2-CG 3.83Å
386	M	90.8	Very high	86.8	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-58.7	-23.3	175.3	-68.9	177.2	-174.6	0	0	112.4	L379 L380 S383 P384 S388 L389 I390 L399 M412 I416 Y438 M440	L379-M386 HydrophobicContact CB-SD 4.01Å; L380-M386 HydrophobicContact CD2-CB 3.98Å; S383-M386 WeakPolarHBondContact O-CB 3.39Å; S383-M386 PolarHBondContact O-N 3.19Å; P384-M386 PolarHBondContact O-N 3.22Å; M386-S388 VanDerWaalsContact C-N 3.27Å; M386-S388 PolarHBondContact O-N 3.13Å; M386-L389 PolarHBondContact O-N 2.66Å; M386-I390 VanDerWaalsContact O-CG1 3.26Å; M386-I390 WeakPolarHBondContact O-CG1 3.4Å; M386-I390 PolarHBondContact O-N 2.93Å; M386-I390 VanDerWaalsContact O-N 3.1Å; M386-L399 HydrophobicContact CG-CD2 4.43Å; M386-L399 HydrophobicContact SD-CD2 4.21Å; M386-M412 HydrophobicContact CE-CE 3.7Å; M386-M412 HydrophobicContact CE-SD 4.22Å; M386-I416 HydrophobicContact CE-CD1 4.02Å; M386-Y438 HydrophobicContact CE-CD1 3.95Å; M386-Y438 HydrophobicContact CE-CD2 3.97Å; M386-Y438 HydrophobicContact CE-CG 3.58Å; M386-Y438 HydrophobicContact CG-CD1 3.76Å; M386-Y438 HydrophobicContact CG-CE1 4.36Å; M386-Y438 HydrophobicContact CG-CG 4.31Å; M386-M440 HydrophobicContact CE-SD 4.5Å
387	L	89.5	Confident	86.9	Confident	108 Å²	108	63.4 Å²	63.4	57%	0.565	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-56.2	-40.1	-179	-175	61.5	0	0	0	112.8	L380 P384 V385 L389	L380-L387 HydrophobicContact CD1-CD1 3.83Å; L380-L387 HydrophobicContact CD2-CB 3.77Å; L380-L387 HydrophobicContact CD2-CD1 4.3Å; L380-L387 VanDerWaalsContact CD2-N 3.31Å; P384-L387 VanDerWaalsContact O-CB 3.24Å; P384-L387 WeakPolarHBondContact O-CB 3.19Å; P384-L387 PolarHBondContact O-N 3.19Å; P384-L387 VanDerWaalsContact O-N 3.11Å; V385-L387 PolarHBondContact O-N 3.36Å; V385-L387 VanDerWaalsContact O-N 3.08Å; L387-L389 VanDerWaalsContact C-N 3.29Å; L387-L389 PolarHBondContact O-N 2.99Å
388	S	89	Confident	87.2	Confident	102 Å²	102	65.3 Å²	65.3	71%	0.713	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-79	-12.7	179.3	60.1	0	0	0	0	113.8	V385 M386	V385-S388 PolarHBondContact O-N 3.06Å; V385-S388 PolarHBondContact O-OG 2.66Å; V385-S388 VanDerWaalsContact O-OG 3.09Å; M386-S388 VanDerWaalsContact C-N 3.27Å; M386-S388 PolarHBondContact O-N 3.13Å
389	L	91.2	Very high	87.5	Confident	70 Å²	70	65.2 Å²	65.2	37%	0.366	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-100.3	-8.7	-178.3	-57.1	173.8	0	0	0	112	M386 L387 L399 Y438	M386-L389 PolarHBondContact O-N 2.66Å; L387-L389 VanDerWaalsContact C-N 3.29Å; L387-L389 PolarHBondContact O-N 2.99Å; L389-L399 HydrophobicContact CB-CD1 3.73Å; L389-Y438 HydrophobicContact CD1-CD1 3.92Å; L389-Y438 HydrophobicContact CD1-CE1 3.69Å
390	I	92.3	Very high	87.7	Confident	21 Å²	21	68.8 Å²	68.8	11%	0.108	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	127.9	179.7	-75	166.3	0	0	0	110.1	M363 K376 L380 M386 I398	M363-I390 HydrophobicContact CE-CD1 3.72Å; M363-I390 HydrophobicContact CE-CG1 3.56Å; M363-I390 HydrophobicContact SD-CD1 3.87Å; M363-I390 HydrophobicContact SD-CG1 4.27Å; K376-I390 HydrophobicContact CG-CD1 4.19Å; L380-I390 HydrophobicContact CD1-CD1 4.35Å; L380-I390 HydrophobicContact CD2-CD1 3.76Å; L380-I390 HydrophobicContact CG-CD1 4.19Å; M386-I390 VanDerWaalsContact O-CG1 3.26Å; M386-I390 WeakPolarHBondContact O-CG1 3.4Å; M386-I390 PolarHBondContact O-N 2.93Å; M386-I390 VanDerWaalsContact O-N 3.1Å; I390-I398 CarbonylContact C-O 3.54Å; I390-I398 WeakPolarHBondContact CA-O 3Å
391	E	90.9	Very high	88.1	Confident	114 Å²	114	67.1 Å²	67.1	53%	0.533	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	125.8	169.1	-63.5	177.7	175.5	0	0	109.5	G393 S397 I398	E391-G393 PolarHBondContact O-N 2.79Å; E391-S397 CarbonylContact O-C 3.06Å; E391-S397 WeakPolarHBondContact O-CA 3.31Å; E391-I398 HydrophobicContact CB-CB 4.4Å; E391-I398 PolarHBondContact N-O 2.84Å; E391-I398 PolarHBondContact O-N 2.87Å
392	E	86.2	Confident	88.7	Confident	130 Å²	130	69.6 Å²	69.6	61%	0.607	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	109.8	176.7	-62.4	-68.4	-173.2	0	0	110.5	K376 S397	K376-E392 VanDerWaalsContact NZ-CD 3.31Å; K376-E392 IonicContact NZ-OE1 2.8Å; K376-E392 PolarHBondContact NZ-OE1 3.47Å; K376-E392 IonicContact NZ-OE2 3.68Å; K376-E392 PolarHBondContact NZ-OE2 3.16Å; E392-S397 PolarHBondContact OE2-OG 2.76Å
393	G	75.7	Confident	89.2	Confident	35 Å²	35	71.6 Å²	71.6	36%	0.361	37%	0.373	S	S	.	.			trans	-85.3	170.6	170.5	0	0	0	0	0	112.7	E391 N395 R396	E391-G393 PolarHBondContact O-N 2.79Å; G393-N395 VanDerWaalsContact C-N 3.26Å; G393-N395 PolarHBondContact O-N 3.43Å; G393-R396 WeakPolarHBondContact CA-O 3.49Å; G393-R396 PolarHBondContact N-O 3.29Å; G393-R396 VanDerWaalsContact N-O 3.08Å
394	R	72.6	Confident	89.6	Confident	252 Å²	252	71.6 Å²	71.6	95%	0.951	37%	0.373	S	S	*	.	S	Bend	trans	-58.6	-35.4	177.9	-80	-175.6	179.8	163.5	0.8	113.7
395	N	78.7	Confident	90.1	Very high	154 Å²	154	68.2 Å²	68.2	82%	0.824	35%	0.351	S	S	*	.	S	Bend	trans	-121.4	-26	-173.7	-67	-24.6	0	0	0	113.7	G393	G393-N395 VanDerWaalsContact C-N 3.26Å; G393-N395 PolarHBondContact O-N 3.43Å
396	R	85.7	Confident	90.4	Very high	71 Å²	71	66.1 Å²	66.1	27%	0.268	34%	0.339	S	S	.	.	S	Bend	trans	-147.5	145.6	-171.7	-60.5	177.7	72.9	82.1	-0.7	109.1	T361 D362 M363 D364 G393	T361-R396 PolarHBondContact O-NH1 3.41Å; T361-R396 PolarHBondContact O-NH2 3.12Å; T361-R396 PolarHBondContact OG1-NH2 3.46Å; D362-R396 WeakPolarHBondContact O-CA 3.47Å; M363-R396 PolarHBondContact O-NH2 3.13Å; D364-R396 IonicContact OD1-CZ 3.58Å; D364-R396 IonicContact OD1-NE 2.78Å; D364-R396 PolarHBondContact OD1-NE 3.32Å; D364-R396 IonicContact OD1-NH2 3.48Å; D364-R396 PolarHBondContact OD1-NH2 2.86Å; D364-R396 WeakPolarHBondContact OD2-CD 3.49Å; D364-R396 IonicContact OD2-NE 3.58Å; D364-R396 PolarHBondContact OD2-NE 2.58Å; G393-R396 WeakPolarHBondContact CA-O 3.49Å; G393-R396 PolarHBondContact N-O 3.29Å; G393-R396 VanDerWaalsContact N-O 3.08Å
397	S	92	Very high	90.7	Very high	8 Å²	8	71.7 Å²	71.7	6%	0.056	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	148	170.1	-60.4	0	0	0	0	109.9	D362 M363 D364 K376 E391 E392	D362-S397 PolarHBondContact O-N 2.92Å; D362-S397 VanDerWaalsContact O-N 3.07Å; M363-S397 CarbonylContact C-O 3.57Å; M363-S397 WeakPolarHBondContact CA-O 2.81Å; M363-S397 WeakPolarHBondContact CG-O 3.42Å; D364-S397 PolarHBondContact N-O 2.76Å; K376-S397 WeakPolarHBondContact CD-OG 3.05Å; K376-S397 PolarHBondContact NZ-OG 2.61Å; K376-S397 VanDerWaalsContact NZ-OG 3.1Å; E391-S397 CarbonylContact O-C 3.06Å; E391-S397 WeakPolarHBondContact O-CA 3.31Å; E392-S397 PolarHBondContact OE2-OG 2.76Å
398	I	94.9	Very high	91	Very high	48 Å²	48	66.6 Å²	66.6	25%	0.246	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.6	-176.4	-61.4	174.9	0	0	0	109.3	D364 I366 I390 E391	D364-I398 CarbonylContact O-C 3.53Å; D364-I398 WeakPolarHBondContact O-CA 2.94Å; I366-I398 HydrophobicContact CD1-CG2 3.45Å; I366-I398 VanDerWaalsContact CD1-CG2 3.45Å; I366-I398 HydrophobicContact CG1-CG2 3.93Å; I390-I398 CarbonylContact C-O 3.54Å; I390-I398 WeakPolarHBondContact CA-O 3Å; E391-I398 HydrophobicContact CB-CB 4.4Å; E391-I398 PolarHBondContact N-O 2.84Å; E391-I398 PolarHBondContact O-N 2.87Å
399	L	95.5	Very high	91.4	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	116.4	165.2	174.4	68.1	0	0	0	108.7	M363 D364 V365 I366 M386 L389 A401 Y438	M363-L399 HydrophobicContact CE-CB 3.3Å; M363-L399 HydrophobicContact CE-CD2 4.19Å; M363-L399 HydrophobicContact CE-CG 4.32Å; D364-L399 PolarHBondContact O-N 3.44Å; V365-L399 WeakPolarHBondContact CA-O 3.1Å; V365-L399 HydrophobicContact CG1-CD2 4.22Å; V365-L399 HydrophobicContact CG2-CB 4.35Å; V365-L399 HydrophobicContact CG2-CD2 4.31Å; I366-L399 PolarHBondContact N-O 2.9Å; M386-L399 HydrophobicContact CG-CD2 4.43Å; M386-L399 HydrophobicContact SD-CD2 4.21Å; L389-L399 HydrophobicContact CB-CD1 3.73Å; L399-A401 PolarHBondContact O-N 2.94Å; L399-Y438 HydrophobicContact CD1-CE1 4.18Å; L399-Y438 HydrophobicContact CD2-CE1 4.26Å
400	N	95.2	Very high	91.7	Very high	76 Å²	76	63 Å²	63	41%	0.406	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	114.6	174.5	-169.4	-19.2	0	0	0	109.4	T402	N400-T402 WeakPolarHBondContact OD1-CB 3.47Å; N400-T402 WeakPolarHBondContact OD1-CG2 3.2Å; N400-T402 PolarHBondContact OD1-N 2.02Å; N400-T402 PolarHBondContact OD1-OG1 3.36Å
401	A	96.2	Very high	91.8	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	33.4	-179.6	0	0	0	0	0	110.1	V365 I366 L399 Q403 F404 M409 Y438	V365-A401 HydrophobicContact CG1-CB 4.03Å; I366-A401 CarbonylContact O-C 3.51Å; I366-A401 VanDerWaalsContact O-CA 3.26Å; I366-A401 WeakPolarHBondContact O-CA 3.47Å; I366-A401 PolarHBondContact O-N 3.17Å; L399-A401 PolarHBondContact O-N 2.94Å; A401-Q403 VanDerWaalsContact CA-OE1 3.31Å; A401-Q403 PolarHBondContact O-N 3.32Å; A401-Q403 VanDerWaalsContact O-N 3.12Å; A401-F404 HydrophobicContact CB-CD2 4.25Å; A401-F404 PolarHBondContact O-N 2.73Å; A401-M409 HydrophobicContact CB-CE 3.47Å; A401-M409 VanDerWaalsContact CB-CE 3.47Å; A401-M409 HydrophobicContact CB-CG 4.3Å; A401-M409 HydrophobicContact CB-SD 4Å; A401-Y438 WeakPolarHBondContact CB-OH 3.42Å
402	T	96.3	Very high	92	Very high	69 Å²	69	57 Å²	57	42%	0.423	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-11	-173.6	48	0	0	0	0	114.2	I366 S368 N400 F404	I366-T402 HydrophobicContact CG2-CG2 3.79Å; I366-T402 PolarHBondContact O-N 2.86Å; I366-T402 VanDerWaalsContact O-N 3.16Å; S368-T402 WeakPolarHBondContact CB-O 3.25Å; N400-T402 WeakPolarHBondContact OD1-CB 3.47Å; N400-T402 WeakPolarHBondContact OD1-CG2 3.2Å; N400-T402 PolarHBondContact OD1-N 2.02Å; N400-T402 PolarHBondContact OD1-OG1 3.36Å; T402-F404 VanDerWaalsContact C-N 3.27Å
403	Q	95.7	Very high	92.5	Very high	90 Å²	90	50.8 Å²	50.8	42%	0.421	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-13.8	170.4	72	-83.9	27.4	0	0	113.7	A401 E437	A401-Q403 VanDerWaalsContact CA-OE1 3.31Å; A401-Q403 PolarHBondContact O-N 3.32Å; A401-Q403 VanDerWaalsContact O-N 3.12Å; Q403-E437 VanDerWaalsContact NE2-CD 3.34Å; Q403-E437 PolarHBondContact NE2-OE1 3.22Å; Q403-E437 PolarHBondContact NE2-OE2 2.82Å
404	F	97.3	Very high	93.3	Very high	1 Å²	1	51 Å²	51	0%	0.004	25%	0.247	C	C	.	.	S	Bend	trans	-114.9	146	-177.7	-55.7	-59.5	0	0	0	111.5	S368 A401 T402 M409 E430 Q433 A434 E437 Y438	S368-F404 WeakPolarHBondContact CB-O 3.47Å; S368-F404 PolarHBondContact N-O 3.2Å; S368-F404 PolarHBondContact OG-O 2.87Å; A401-F404 HydrophobicContact CB-CD2 4.25Å; A401-F404 PolarHBondContact O-N 2.73Å; T402-F404 VanDerWaalsContact C-N 3.27Å; F404-M409 HydrophobicContact CB-CG 3.7Å; F404-M409 HydrophobicContact CB-SD 3.75Å; F404-M409 HydrophobicContact CD2-SD 3.65Å; F404-M409 HydrophobicContact CG-SD 3.99Å; F404-E430 HydrophobicContact CD1-CB 4.28Å; F404-Q433 HydrophobicContact CE1-CB 3.96Å; F404-Q433 HydrophobicContact CE1-CG 3.89Å; F404-Q433 HydrophobicContact CZ-CG 4.18Å; F404-A434 HydrophobicContact CD1-CB 4.17Å; F404-A434 HydrophobicContact CD2-CB 4.04Å; F404-A434 HydrophobicContact CE1-CB 3.93Å; F404-A434 HydrophobicContact CE2-CB 3.77Å; F404-A434 HydrophobicContact CG-CB 4.23Å; F404-A434 VanDerWaalsContact CZ-CA 3.48Å; F404-A434 HydrophobicContact CZ-CB 3.73Å; F404-E437 WeakPolarHBondContact CE2-OE2 3.16Å; F404-E437 VanDerWaalsContact CZ-OE2 3.26Å; F404-E437 WeakPolarHBondContact CZ-OE2 3.42Å; F404-Y438 HydrophobicContact CE2-CE2 4.08Å
405	S	96.9	Very high	94.2	Very high	20 Å²	20	39.2 Å²	39.2	14%	0.14	20%	0.203	C	C	.	.			trans	-66.7	156.6	172	68.1	0	0	0	0	112.2	Q407 A408 M409 E430	S405-Q407 PolarHBondContact O-N 3.04Å; S405-A408 PolarHBondContact O-N 2.75Å; S405-A408 PolarHBondContact OG-N 3.24Å; S405-M409 PolarHBondContact O-N 2.93Å; S405-E430 WeakPolarHBondContact CA-OE2 3.42Å; S405-E430 WeakPolarHBondContact CB-OE2 3.32Å; S405-E430 PolarHBondContact N-OE2 3.11Å; S405-E430 PolarHBondContact OG-OE2 2.87Å
406	C	96	Very high	94.8	Very high	17 Å²	17	31.9 Å²	31.9	12%	0.115	16%	0.163	C	C	.	.	H	α-helix	trans	-55	-36.4	173.3	-167.1	0	0	0	0	111.7	A367 D369 C370 H410	A367-C406 HydrophobicContact CB-CB 4.47Å; D369-C406 WeakPolarHBondContact OD1-CA 3.37Å; D369-C406 WeakPolarHBondContact OD1-CB 3.46Å; D369-C406 PolarHBondContact OD1-N 3Å; C370-C406 HydrophobicContact CB-CB 3.65Å; C370-C406 WeakPolarHBondContact CB-SG 3.3Å; C370-C406 WeakPolarHBondContact SG-CB 3.45Å; C370-C406 CovalentContact SG-SG 2.02Å; C370-C406 PolarHBondContact SG-SG 2.92Å; C406-H410 VanDerWaalsContact O-CB 3.25Å; C406-H410 WeakPolarHBondContact O-CB 3.43Å; C406-H410 PolarHBondContact O-CD2 3.49Å; C406-H410 PolarHBondContact O-N 3.12Å; C406-H410 PolarHBondContact SG-CD2 3.4Å
407	Q	96.4	Very high	95	Very high	118 Å²	118	28.5 Å²	28.5	55%	0.551	15%	0.151	S	C	*	.	H	α-helix	trans	-68.1	-45	-179.4	-63.5	-172.5	1.3	0	0	112	S405 H410 C411 I427	S405-Q407 PolarHBondContact O-N 3.04Å; Q407-H410 PolarHBondContact O-N 2.98Å; Q407-C411 WeakPolarHBondContact O-CB 3.46Å; Q407-C411 PolarHBondContact O-N 3.25Å; Q407-I427 HydrophobicContact CB-CG2 3.77Å
408	A	97.2	Very high	94.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.7	-44	176	0	0	0	0	0	111.4	S405 C411 M412 E430 V431	S405-A408 PolarHBondContact O-N 2.75Å; S405-A408 PolarHBondContact OG-N 3.24Å; A408-C411 VanDerWaalsContact O-CB 3.32Å; A408-C411 WeakPolarHBondContact O-CB 3.32Å; A408-C411 PolarHBondContact O-N 3.23Å; A408-M412 PolarHBondContact O-N 3.4Å; A408-E430 HydrophobicContact CB-CB 3.6Å; A408-E430 WeakPolarHBondContact CB-OE2 3.11Å; A408-V431 HydrophobicContact CB-CG2 3.9Å
409	M	97.4	Very high	94	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-69.9	-36.4	179	-65.4	-54.3	-68.4	0	0	112.7	V365 A367 I372 A401 F404 S405 C411 M412 I413 A434 Y438	V365-M409 HydrophobicContact CG1-CE 3.48Å; V365-M409 VanDerWaalsContact CG1-CE 3.48Å; A367-M409 HydrophobicContact CB-CB 4.33Å; A367-M409 HydrophobicContact CB-CG 4.11Å; I372-M409 HydrophobicContact CD1-CB 3.69Å; A401-M409 HydrophobicContact CB-CE 3.47Å; A401-M409 VanDerWaalsContact CB-CE 3.47Å; A401-M409 HydrophobicContact CB-CG 4.3Å; A401-M409 HydrophobicContact CB-SD 4Å; F404-M409 HydrophobicContact CB-CG 3.7Å; F404-M409 HydrophobicContact CB-SD 3.75Å; F404-M409 HydrophobicContact CD2-SD 3.65Å; F404-M409 HydrophobicContact CG-SD 3.99Å; S405-M409 PolarHBondContact O-N 2.93Å; M409-C411 VanDerWaalsContact C-N 3.32Å; M409-C411 PolarHBondContact O-N 3.15Å; M409-M412 HydrophobicContact CE-CE 3.31Å; M409-M412 HydrophobicContact CE-SD 4.48Å; M409-M412 PolarHBondContact O-N 3.19Å; M409-M412 HydrophobicContact SD-CE 4.11Å; M409-I413 WeakPolarHBondContact O-CB 3.39Å; M409-I413 VanDerWaalsContact O-CG1 3.24Å; M409-I413 WeakPolarHBondContact O-CG1 3.43Å; M409-I413 PolarHBondContact O-N 2.79Å; M409-A434 HydrophobicContact SD-CB 4.45Å; M409-Y438 HydrophobicContact CE-CE2 4.07Å; M409-Y438 HydrophobicContact SD-CE2 4.45Å
410	H	95.6	Very high	93.3	Very high	97 Å²	97	33.4 Å²	33.4	45%	0.449	17%	0.172	S	C	.	.	H	α-helix	trans	-62.2	-41	171.1	-92.6	-60.4	0	0	0	112	I372 C406 Q407 S414	I372-H410 HydrophobicContact CD1-CB 4.3Å; C406-H410 VanDerWaalsContact O-CB 3.25Å; C406-H410 WeakPolarHBondContact O-CB 3.43Å; C406-H410 PolarHBondContact O-CD2 3.49Å; C406-H410 PolarHBondContact O-N 3.12Å; C406-H410 PolarHBondContact SG-CD2 3.4Å; Q407-H410 PolarHBondContact O-N 2.98Å; H410-S414 VanDerWaalsContact O-CB 3.23Å; H410-S414 WeakPolarHBondContact O-CB 3.23Å; H410-S414 PolarHBondContact O-N 2.91Å
411	C	95.2	Very high	92.7	Very high	7 Å²	7	31.3 Å²	31.3	5%	0.047	16%	0.162	C	C	.	.	H	α-helix	trans	-59.4	-51.3	175.2	172.8	0	0	0	0	111.5	Q407 A408 M409 I413 S414 Y415 C421 I427 V431	Q407-C411 WeakPolarHBondContact O-CB 3.46Å; Q407-C411 PolarHBondContact O-N 3.25Å; A408-C411 VanDerWaalsContact O-CB 3.32Å; A408-C411 WeakPolarHBondContact O-CB 3.32Å; A408-C411 PolarHBondContact O-N 3.23Å; M409-C411 VanDerWaalsContact C-N 3.32Å; M409-C411 PolarHBondContact O-N 3.15Å; C411-I413 PolarHBondContact O-N 3.42Å; C411-S414 PolarHBondContact O-N 3.27Å; C411-Y415 WeakPolarHBondContact O-CB 3.46Å; C411-Y415 PolarHBondContact O-N 2.94Å; C411-C421 WeakPolarHBondContact CA-SG 3.47Å; C411-C421 HydrophobicContact CB-CB 4.23Å; C411-C421 WeakPolarHBondContact CB-SG 3.46Å; C411-C421 WeakPolarHBondContact O-CB 3.32Å; C411-C421 WeakPolarHBondContact SG-CB 3.09Å; C411-C421 CovalentContact SG-SG 2Å; C411-C421 PolarHBondContact SG-SG 3.02Å; C411-I427 HydrophobicContact CB-CD1 4.14Å; C411-V431 HydrophobicContact CB-CG2 4.09Å
412	M	96.3	Very high	92.2	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-61.2	-46.4	178.9	-175	-172.5	75.9	0	0	112	M386 A408 M409 S414 Y415 I416 A434 Y438 M440 L443	M386-M412 HydrophobicContact CE-CE 3.7Å; M386-M412 HydrophobicContact CE-SD 4.22Å; A408-M412 PolarHBondContact O-N 3.4Å; M409-M412 HydrophobicContact CE-CE 3.31Å; M409-M412 HydrophobicContact CE-SD 4.48Å; M409-M412 PolarHBondContact O-N 3.19Å; M409-M412 HydrophobicContact SD-CE 4.11Å; M412-S414 PolarHBondContact O-N 2.89Å; M412-Y415 WeakPolarHBondContact O-CB 3.32Å; M412-Y415 PolarHBondContact O-N 2.78Å; M412-Y415 VanDerWaalsContact O-N 3.15Å; M412-I416 HydrophobicContact CE-CD1 4.42Å; M412-I416 HydrophobicContact CG-CD1 4.34Å; M412-I416 WeakPolarHBondContact O-CG1 3.4Å; M412-I416 PolarHBondContact O-N 3.47Å; M412-A434 HydrophobicContact SD-CB 4.22Å; M412-Y438 HydrophobicContact CE-CD2 3.76Å; M412-Y438 HydrophobicContact CE-CE2 3.83Å; M412-Y438 HydrophobicContact SD-CD2 3.32Å; M412-Y438 WeakPolarHBondContact SD-CD2 3.18Å; M412-Y438 HydrophobicContact SD-CE2 3.85Å; M412-Y438 HydrophobicContact SD-CG 4.27Å; M412-M440 HydrophobicContact CG-CE 3.98Å; M412-M440 HydrophobicContact CG-SD 3.82Å; M412-M440 HydrophobicContact SD-SD 4.01Å; M412-L443 HydrophobicContact CB-CD2 4.06Å; M412-L443 HydrophobicContact CG-CD2 3.78Å
413	I	95.9	Very high	91.9	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-65.3	-41.1	179.3	-66.8	167.3	0	0	0	110.4	L355 V365 I372 L379 M409 C411 Y415 I416 Y417	L355-I413 HydrophobicContact CD1-CG2 4.04Å; L355-I413 HydrophobicContact CD2-CG2 3.86Å; V365-I413 HydrophobicContact CB-CD1 4.08Å; V365-I413 HydrophobicContact CG1-CD1 4.29Å; V365-I413 HydrophobicContact CG2-CD1 3.92Å; I372-I413 HydrophobicContact CB-CD1 3.85Å; I372-I413 HydrophobicContact CD1-CD1 3.86Å; I372-I413 HydrophobicContact CG1-CD1 4.46Å; I372-I413 HydrophobicContact CG2-CD1 3.57Å; L379-I413 HydrophobicContact CD2-CG1 4.33Å; M409-I413 WeakPolarHBondContact O-CB 3.39Å; M409-I413 VanDerWaalsContact O-CG1 3.24Å; M409-I413 WeakPolarHBondContact O-CG1 3.43Å; M409-I413 PolarHBondContact O-N 2.79Å; C411-I413 PolarHBondContact O-N 3.42Å; I413-Y415 VanDerWaalsContact C-N 3.26Å; I413-Y415 PolarHBondContact O-N 3.34Å; I413-I416 WeakPolarHBondContact O-CB 3.45Å; I413-I416 PolarHBondContact O-N 3.02Å; I413-Y417 HydrophobicContact CG2-CD2 4.2Å; I413-Y417 HydrophobicContact CG2-CE2 4.04Å; I413-Y417 VanDerWaalsContact O-CD2 3.23Å; I413-Y417 WeakPolarHBondContact O-CD2 3.18Å; I413-Y417 PolarHBondContact O-N 3.41Å
414	S	92.5	Very high	91.6	Very high	38 Å²	38	35.3 Å²	35.3	27%	0.266	19%	0.185	S	C	.	.	H	α-helix	trans	-57.4	-43.2	172.8	180	0	0	0	0	111.3	H410 C411 M412 I416 Y417 T418 K420	H410-S414 VanDerWaalsContact O-CB 3.23Å; H410-S414 WeakPolarHBondContact O-CB 3.23Å; H410-S414 PolarHBondContact O-N 2.91Å; C411-S414 PolarHBondContact O-N 3.27Å; M412-S414 PolarHBondContact O-N 2.89Å; S414-I416 PolarHBondContact O-N 3.38Å; S414-Y417 PolarHBondContact O-N 2.86Å; S414-T418 WeakPolarHBondContact O-CB 3.41Å; S414-T418 PolarHBondContact O-N 2.99Å; S414-T418 PolarHBondContact O-OG1 3.04Å; S414-K420 CarbonylContact C-O 3.54Å; S414-K420 PolarHBondContact OG-O 3.16Å
415	Y	91.1	Very high	91.2	Very high	5 Å²	5	37.3 Å²	37.3	2%	0.02	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-39.1	177.7	-180	-89.8	0	0	0	112.4	R382 C411 M412 I413 Y417 T418 D419 K420 M440 N442 L443 I446	R382-Y415 PolarHBondContact NH2-O 3.07Å; R382-Y415 VanDerWaalsContact NH2-O 3.16Å; C411-Y415 WeakPolarHBondContact O-CB 3.46Å; C411-Y415 PolarHBondContact O-N 2.94Å; M412-Y415 WeakPolarHBondContact O-CB 3.32Å; M412-Y415 PolarHBondContact O-N 2.78Å; M412-Y415 VanDerWaalsContact O-N 3.15Å; I413-Y415 VanDerWaalsContact C-N 3.26Å; I413-Y415 PolarHBondContact O-N 3.34Å; Y415-Y417 VanDerWaalsContact C-N 3.27Å; Y415-Y417 PolarHBondContact O-N 3.03Å; Y415-T418 PolarHBondContact O-N 3.14Å; Y415-D419 VanDerWaalsContact CD2-C 3.44Å; Y415-D419 WeakPolarHBondContact CE2-O 3.13Å; Y415-D419 WeakPolarHBondContact CE2-OD1 3.46Å; Y415-D419 WeakPolarHBondContact O-CA 3.49Å; Y415-D419 PolarHBondContact O-N 2.95Å; Y415-D419 PolarHBondContact OH-OD1 3.11Å; Y415-K420 WeakPolarHBondContact CA-O 3.43Å; Y415-K420 PolarHBondContact N-O 3.29Å; Y415-M440 HydrophobicContact CD1-CE 3.34Å; Y415-M440 HydrophobicContact CE1-CE 3.75Å; Y415-M440 HydrophobicContact CG-CE 4.47Å; Y415-N442 WeakPolarHBondContact OH-CB 3.48Å; Y415-L443 HydrophobicContact CD1-CB 3.93Å; Y415-L443 HydrophobicContact CD1-CD1 4.23Å; Y415-L443 HydrophobicContact CD1-CD2 4.1Å; Y415-L443 HydrophobicContact CD1-CG 4.32Å; Y415-L443 HydrophobicContact CD2-CD1 3.84Å; Y415-L443 HydrophobicContact CE1-CB 3.79Å; Y415-L443 HydrophobicContact CE2-CD1 4.38Å; Y415-L443 HydrophobicContact CG-CB 4.32Å; Y415-L443 HydrophobicContact CG-CD1 3.77Å; Y415-L443 HydrophobicContact CG-CD2 4.24Å; Y415-L443 HydrophobicContact CG-CG 4.34Å; Y415-I446 HydrophobicContact CD2-CD1 4.48Å; Y415-I446 HydrophobicContact CE2-CD1 3.83Å
416	I	91.1	Very high	90.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-56.8	-43.7	175.2	-71.9	169.6	0	0	0	110.8	I378 L379 R382 M386 M412 I413 S414 M440	I378-I416 HydrophobicContact CG2-CG2 3.87Å; L379-I416 HydrophobicContact CD2-CB 4.38Å; L379-I416 HydrophobicContact CD2-CD1 3.37Å; L379-I416 HydrophobicContact CD2-CG1 4.44Å; L379-I416 HydrophobicContact CD2-CG2 3.89Å; R382-I416 HydrophobicContact CB-CB 4.4Å; R382-I416 HydrophobicContact CB-CG1 4.17Å; R382-I416 HydrophobicContact CB-CG2 3.87Å; R382-I416 HydrophobicContact CG-CB 4.46Å; R382-I416 HydrophobicContact CG-CG2 3.73Å; R382-I416 PolarHBondContact NE-O 3.13Å; M386-I416 HydrophobicContact CE-CD1 4.02Å; M412-I416 HydrophobicContact CE-CD1 4.42Å; M412-I416 HydrophobicContact CG-CD1 4.34Å; M412-I416 WeakPolarHBondContact O-CG1 3.4Å; M412-I416 PolarHBondContact O-N 3.47Å; I413-I416 WeakPolarHBondContact O-CB 3.45Å; I413-I416 PolarHBondContact O-N 3.02Å; S414-I416 PolarHBondContact O-N 3.38Å; I416-M440 HydrophobicContact CD1-CE 4.37Å; I416-M440 HydrophobicContact CD1-SD 4.21Å; I416-M440 HydrophobicContact CG1-CE 3.76Å; I416-M440 HydrophobicContact CG1-SD 4.19Å
417	Y	89.5	Confident	90.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-80.8	-26.5	-176.1	-78.8	-110.2	0	0	0	113.8	F351 L355 H375 I378 I413 S414 Y415	F351-Y417 HydrophobicContact CB-CD1 4.15Å; F351-Y417 WeakPolarHBondContact CB-O 3.23Å; F351-Y417 HydrophobicContact CD1-CD1 4.27Å; F351-Y417 WeakPolarHBondContact O-CD1 3.46Å; L355-Y417 HydrophobicContact CB-CD1 3.74Å; L355-Y417 HydrophobicContact CB-CE1 3.83Å; L355-Y417 HydrophobicContact CB-CG 4.18Å; L355-Y417 HydrophobicContact CD1-CE1 4.23Å; L355-Y417 HydrophobicContact CD1-CE2 4.05Å; L355-Y417 HydrophobicContact CD2-CD1 4.48Å; L355-Y417 HydrophobicContact CD2-CD2 4.05Å; L355-Y417 HydrophobicContact CD2-CE2 4.4Å; L355-Y417 HydrophobicContact CD2-CG 4.09Å; L355-Y417 HydrophobicContact CG-CE1 4.49Å; H375-Y417 VanDerWaalsContact CB-OH 3.32Å; H375-Y417 WeakPolarHBondContact CB-OH 3.39Å; H375-Y417 PolarHBondContact N-OH 3.12Å; H375-Y417 AromaticContact ND1-CE1 3.62Å; H375-Y417 AromaticContact ND1-CZ 3.61Å; H375-Y417 PolarHBondContact ND1-OH 2.66Å; I378-Y417 HydrophobicContact CB-CE1 4.41Å; I378-Y417 HydrophobicContact CB-CE2 4.35Å; I378-Y417 HydrophobicContact CD1-CD1 4.21Å; I378-Y417 HydrophobicContact CD1-CE1 3.46Å; I378-Y417 VanDerWaalsContact CD1-CE1 3.46Å; I378-Y417 HydrophobicContact CG2-CD1 4.27Å; I378-Y417 HydrophobicContact CG2-CD2 4.06Å; I378-Y417 HydrophobicContact CG2-CE1 4.02Å; I378-Y417 HydrophobicContact CG2-CE2 3.79Å; I378-Y417 HydrophobicContact CG2-CG 4.29Å; I413-Y417 HydrophobicContact CG2-CD2 4.2Å; I413-Y417 HydrophobicContact CG2-CE2 4.04Å; I413-Y417 VanDerWaalsContact O-CD2 3.23Å; I413-Y417 WeakPolarHBondContact O-CD2 3.18Å; I413-Y417 PolarHBondContact O-N 3.41Å; S414-Y417 PolarHBondContact O-N 2.86Å; Y415-Y417 VanDerWaalsContact C-N 3.27Å; Y415-Y417 PolarHBondContact O-N 3.03Å
418	T	84.3	Confident	90.9	Very high	8 Å²	8	36.1 Å²	36.1	5%	0.049	19%	0.194	C	C	.	.	H	α-helix	trans	-130.8	-7.8	-166.4	67.9	0	0	0	0	115.6	V348 E352 S414 Y415 K420	V348-T418 HydrophobicContact CG1-CG2 4.13Å; V348-T418 WeakPolarHBondContact CG1-O 3.21Å; E352-T418 HydrophobicContact CB-CG2 3.71Å; E352-T418 HydrophobicContact CG-CG2 4.01Å; S414-T418 WeakPolarHBondContact O-CB 3.41Å; S414-T418 PolarHBondContact O-N 2.99Å; S414-T418 PolarHBondContact O-OG1 3.04Å; Y415-T418 PolarHBondContact O-N 3.14Å; T418-K420 PolarHBondContact O-N 3.1Å; T418-K420 PolarHBondContact OG1-N 3.32Å; T418-K420 PolarHBondContact OG1-O 2.83Å; T418-K420 VanDerWaalsContact OG1-O 3.13Å
419	D	82	Confident	90.8	Very high	33 Å²	33	38.7 Å²	38.7	18%	0.176	21%	0.206	C	C	.	.	S	Bend	trans	57.1	21.6	-168.5	-147.1	48.8	0	0	0	113	N108 R382 Y415	N108-D419 PolarHBondContact ND2-OD2 2.95Å; R382-D419 IonicContact CZ-OD1 2.81Å; R382-D419 IonicContact NH1-OD1 2.74Å; R382-D419 IonicContact NH2-OD1 2.71Å; R382-D419 PolarHBondContact NH2-OD1 2.98Å; Y415-D419 VanDerWaalsContact CD2-C 3.44Å; Y415-D419 WeakPolarHBondContact CE2-O 3.13Å; Y415-D419 WeakPolarHBondContact CE2-OD1 3.46Å; Y415-D419 WeakPolarHBondContact O-CA 3.49Å; Y415-D419 PolarHBondContact O-N 2.95Å; Y415-D419 PolarHBondContact OH-OD1 3.11Å
420	K	81.5	Confident	90.8	Very high	121 Å²	121	41.7 Å²	41.7	53%	0.526	22%	0.22	S	C	.	.			trans	-132.4	131.3	-179.4	-62.7	173.2	-173	174.4	0	110.6	S414 Y415 T418	S414-K420 CarbonylContact C-O 3.54Å; S414-K420 PolarHBondContact OG-O 3.16Å; Y415-K420 WeakPolarHBondContact CA-O 3.43Å; Y415-K420 PolarHBondContact N-O 3.29Å; T418-K420 PolarHBondContact O-N 3.1Å; T418-K420 PolarHBondContact OG1-N 3.32Å; T418-K420 PolarHBondContact OG1-O 2.83Å; T418-K420 VanDerWaalsContact OG1-O 3.13Å
421	C	83.2	Confident	90.9	Very high	31 Å²	31	37.1 Å²	37.1	21%	0.209	20%	0.199	C	C	.	.			trans	-145.1	138.9	160.6	174.9	0	0	0	0	109.2	C411 I423	C411-C421 WeakPolarHBondContact CA-SG 3.47Å; C411-C421 HydrophobicContact CB-CB 4.23Å; C411-C421 WeakPolarHBondContact CB-SG 3.46Å; C411-C421 WeakPolarHBondContact O-CB 3.32Å; C411-C421 WeakPolarHBondContact SG-CB 3.09Å; C411-C421 CovalentContact SG-SG 2Å; C411-C421 PolarHBondContact SG-SG 3.02Å; C421-I423 HydrophobicContact CB-CG1 4.46Å; C421-I423 PolarHBondContact O-N 3.24Å
422	S	84.3	Confident	91	Very high	97 Å²	97	36.8 Å²	36.8	68%	0.678	20%	0.197	S	C	*	.			trans	-83.2	99.7	166.7	-176.7	0	0	0	0	108.8
423	I	90.9	Very high	90.9	Very high	15 Å²	15	40 Å²	40	8%	0.077	21%	0.212	C	C	.	.			trans	-85.5	127.9	174.6	-56.9	-176.9	0	0	0	108.5	C421 I427 A428 V431 L443 I446 A447 E450	C421-I423 HydrophobicContact CB-CG1 4.46Å; C421-I423 PolarHBondContact O-N 3.24Å; I423-I427 HydrophobicContact CG2-CG1 4.49Å; I423-A428 HydrophobicContact CG2-CB 3.22Å; I423-V431 HydrophobicContact CD1-CB 4.45Å; I423-V431 HydrophobicContact CD1-CG1 3.64Å; I423-V431 HydrophobicContact CG1-CG1 4.26Å; I423-L443 HydrophobicContact CD1-CD1 3.87Å; I423-I446 HydrophobicContact CD1-CB 4.13Å; I423-I446 HydrophobicContact CD1-CG2 3.78Å; I423-I446 HydrophobicContact CG1-CG2 4.37Å; I423-A447 HydrophobicContact CD1-CB 3.79Å; I423-E450 HydrophobicContact CG2-CB 4.32Å; I423-E450 HydrophobicContact CG2-CG 4.31Å
424	K	90.2	Very high	91	Very high	131 Å²	131	40 Å²	40	57%	0.57	21%	0.211	S	C	*	.			trans	-112.3	160	173.8	-68.3	-178.7	-177.8	179.3	0	109.4	D426 I427 A428	K424-D426 WeakPolarHBondContact CB-OD1 3.44Å; K424-D426 PolarHBondContact O-N 3.21Å; K424-D426 VanDerWaalsContact O-N 3.13Å; K424-I427 WeakPolarHBondContact O-CG1 3.38Å; K424-I427 PolarHBondContact O-N 3.27Å; K424-I427 VanDerWaalsContact O-N 3.15Å; K424-A428 PolarHBondContact O-N 2.78Å
425	S	88.5	Confident	91.1	Very high	44 Å²	44	38.1 Å²	38.1	31%	0.308	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-33.4	-176.3	-161.8	0	0	0	0	114.9	A428 T454	S425-A428 PolarHBondContact O-N 2Å; S425-T454 WeakPolarHBondContact OG-CB 3.11Å; S425-T454 PolarHBondContact OG-OG1 2.7Å
426	D	90.9	Very high	91.3	Very high	115 Å²	115	40.2 Å²	40.2	62%	0.615	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-32.4	-178.9	56.2	-28.2	0	0	0	113.8	K424	K424-D426 WeakPolarHBondContact CB-OD1 3.44Å; K424-D426 PolarHBondContact O-N 3.21Å; K424-D426 VanDerWaalsContact O-N 3.13Å
427	I	95.1	Very high	91.5	Very high	14 Å²	14	43.3 Å²	43.3	7%	0.072	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-7.8	175.3	64.4	170.2	0	0	0	113.3	Q407 C411 I423 K424 E429 E430 V431	Q407-I427 HydrophobicContact CB-CG2 3.77Å; C411-I427 HydrophobicContact CB-CD1 4.14Å; I423-I427 HydrophobicContact CG2-CG1 4.49Å; K424-I427 WeakPolarHBondContact O-CG1 3.38Å; K424-I427 PolarHBondContact O-N 3.27Å; K424-I427 VanDerWaalsContact O-N 3.15Å; I427-E429 PolarHBondContact O-N 2.59Å; I427-E430 PolarHBondContact O-N 2.96Å; I427-V431 HydrophobicContact CB-CG2 4.23Å; I427-V431 HydrophobicContact CD1-CG2 4.09Å; I427-V431 HydrophobicContact CG1-CG2 4.17Å; I427-V431 WeakPolarHBondContact O-CG2 3.42Å; I427-V431 PolarHBondContact O-N 3.44Å
428	A	96.2	Very high	91.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-12.9	-75.7	163	0	0	0	0	0	115.4	I423 K424 S425 M432 E450 L451	I423-A428 HydrophobicContact CG2-CB 3.22Å; K424-A428 PolarHBondContact O-N 2.78Å; S425-A428 PolarHBondContact O-N 2Å; A428-M432 PolarHBondContact O-N 2.89Å; A428-M432 VanDerWaalsContact O-N 3.11Å; A428-E450 HydrophobicContact CB-CB 4.23Å; A428-E450 HydrophobicContact CB-CG 4.13Å; A428-L451 HydrophobicContact CB-CD2 3.78Å; A428-L451 HydrophobicContact CB-CG 4.01Å
429	E	95.6	Very high	92.1	Very high	55 Å²	55	48.3 Å²	48.3	26%	0.257	24%	0.244	S	C	.	.	H	α-helix	trans	-70.7	-43.7	-166.2	-60	-174.8	-179.2	0	0	110.7	I427 M432 Q433 L451 S462 R463 L466	I427-E429 PolarHBondContact O-N 2.59Å; E429-M432 PolarHBondContact O-N 2.96Å; E429-Q433 WeakPolarHBondContact O-CB 3.41Å; E429-Q433 PolarHBondContact O-N 3.36Å; E429-L451 HydrophobicContact CG-CD2 3.69Å; E429-S462 WeakPolarHBondContact OE1-CB 3.46Å; E429-S462 PolarHBondContact OE1-OG 2.84Å; E429-R463 IonicContact OE1-CZ 3.3Å; E429-R463 IonicContact OE1-NE 3.68Å; E429-R463 PolarHBondContact OE1-NE 3.22Å; E429-R463 IonicContact OE1-NH2 3.88Å; E429-R463 PolarHBondContact OE1-NH2 3.41Å; E429-L466 HydrophobicContact CB-CD2 3.84Å; E429-L466 HydrophobicContact CG-CD2 3.92Å
430	E	96.2	Very high	92.5	Very high	63 Å²	63	47.1 Å²	47.1	29%	0.294	24%	0.238	S	C	.	.	H	α-helix	trans	-64.1	-42.3	178.1	-66.3	-177	-151.3	0	0	112	F404 S405 A408 I427 Q433 A434	F404-E430 HydrophobicContact CD1-CB 4.28Å; S405-E430 WeakPolarHBondContact CA-OE2 3.42Å; S405-E430 WeakPolarHBondContact CB-OE2 3.32Å; S405-E430 PolarHBondContact N-OE2 3.11Å; S405-E430 PolarHBondContact OG-OE2 2.87Å; A408-E430 HydrophobicContact CB-CB 3.6Å; A408-E430 WeakPolarHBondContact CB-OE2 3.11Å; I427-E430 PolarHBondContact O-N 2.96Å; E430-Q433 PolarHBondContact O-N 3.35Å; E430-A434 VanDerWaalsContact O-CB 3.32Å; E430-A434 WeakPolarHBondContact O-CB 3.42Å; E430-A434 PolarHBondContact O-N 3.09Å
431	V	97.8	Very high	92.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66.8	-39.5	178.5	177.9	0	0	0	0	110.9	A408 C411 I423 I427 A435 L443 A447	A408-V431 HydrophobicContact CB-CG2 3.9Å; C411-V431 HydrophobicContact CB-CG2 4.09Å; I423-V431 HydrophobicContact CD1-CB 4.45Å; I423-V431 HydrophobicContact CD1-CG1 3.64Å; I423-V431 HydrophobicContact CG1-CG1 4.26Å; I427-V431 HydrophobicContact CB-CG2 4.23Å; I427-V431 HydrophobicContact CD1-CG2 4.09Å; I427-V431 HydrophobicContact CG1-CG2 4.17Å; I427-V431 WeakPolarHBondContact O-CG2 3.42Å; I427-V431 PolarHBondContact O-N 3.44Å; V431-A435 WeakPolarHBondContact O-CB 3.48Å; V431-A435 PolarHBondContact O-N 3.35Å; V431-L443 HydrophobicContact CG1-CD1 4.06Å; V431-L443 HydrophobicContact CG1-CD2 4.16Å; V431-L443 HydrophobicContact CG1-CG 4.01Å; V431-A447 HydrophobicContact CB-CB 4.4Å; V431-A447 HydrophobicContact CG1-CB 4.2Å
432	M	96.9	Very high	92.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-45.1	175	-172	174.4	-177.6	0	0	111	A428 E429 A435 H436 E444 A447 E448 L451 L466 V470 L475	A428-M432 PolarHBondContact O-N 2.89Å; A428-M432 VanDerWaalsContact O-N 3.11Å; E429-M432 PolarHBondContact O-N 2.96Å; M432-A435 PolarHBondContact O-N 3.26Å; M432-H436 WeakPolarHBondContact O-CB 3.07Å; M432-H436 PolarHBondContact O-N 2.93Å; M432-E444 HydrophobicContact CE-CG 4.5Å; M432-E444 HydrophobicContact CG-CG 4.05Å; M432-A447 HydrophobicContact CB-CB 3.75Å; M432-A447 HydrophobicContact CG-CB 4.44Å; M432-E448 HydrophobicContact CE-CB 4.04Å; M432-E448 HydrophobicContact CE-CG 3.99Å; M432-E448 HydrophobicContact SD-CB 4.31Å; M432-L451 HydrophobicContact CB-CD1 3.98Å; M432-L451 HydrophobicContact CG-CD1 4.27Å; M432-L451 HydrophobicContact SD-CD1 3.27Å; M432-L451 WeakPolarHBondContact SD-CD1 3.47Å; M432-L466 HydrophobicContact CB-CD2 4.35Å; M432-L466 HydrophobicContact SD-CD2 3.9Å; M432-L466 HydrophobicContact SD-CG 4.43Å; M432-V470 HydrophobicContact CE-CB 4.39Å; M432-V470 HydrophobicContact CE-CG1 3.89Å; M432-V470 HydrophobicContact CE-CG2 4.31Å; M432-V470 HydrophobicContact CG-CG2 4.29Å; M432-L475 HydrophobicContact CE-CB 4.43Å; M432-L475 HydrophobicContact CE-CD2 4.11Å; M432-L475 HydrophobicContact SD-CD2 3.98Å
433	Q	96.1	Very high	93.2	Very high	69 Å²	69	43.6 Å²	43.6	32%	0.322	22%	0.22	S	C	.	.	H	α-helix	trans	-65.5	-44.8	179.4	-173.3	174	-2.9	0	0	112.1	F404 E429 E430 H436 E437 L466 V469	F404-Q433 HydrophobicContact CE1-CB 3.96Å; F404-Q433 HydrophobicContact CE1-CG 3.89Å; F404-Q433 HydrophobicContact CZ-CG 4.18Å; E429-Q433 WeakPolarHBondContact O-CB 3.41Å; E429-Q433 PolarHBondContact O-N 3.36Å; E430-Q433 PolarHBondContact O-N 3.35Å; Q433-H436 PolarHBondContact O-N 3.4Å; Q433-E437 WeakPolarHBondContact O-CB 2.94Å; Q433-E437 PolarHBondContact O-N 3.17Å; Q433-L466 HydrophobicContact CB-CD1 4.09Å; Q433-V469 HydrophobicContact CG-CG1 4.47Å
434	A	96.4	Very high	93.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.1	-44.4	175.2	0	0	0	0	0	111.4	F404 M409 M412 E430 H436 E437 Y438	F404-A434 HydrophobicContact CD1-CB 4.17Å; F404-A434 HydrophobicContact CD2-CB 4.04Å; F404-A434 HydrophobicContact CE1-CB 3.93Å; F404-A434 HydrophobicContact CE2-CB 3.77Å; F404-A434 HydrophobicContact CG-CB 4.23Å; F404-A434 VanDerWaalsContact CZ-CA 3.48Å; F404-A434 HydrophobicContact CZ-CB 3.73Å; M409-A434 HydrophobicContact SD-CB 4.45Å; M412-A434 HydrophobicContact SD-CB 4.22Å; E430-A434 VanDerWaalsContact O-CB 3.32Å; E430-A434 WeakPolarHBondContact O-CB 3.42Å; E430-A434 PolarHBondContact O-N 3.09Å; A434-H436 VanDerWaalsContact C-N 3.29Å; A434-H436 PolarHBondContact O-N 3.39Å; A434-E437 PolarHBondContact O-N 2.85Å; A434-Y438 HydrophobicContact CB-CD2 4.3Å; A434-Y438 HydrophobicContact CB-CE2 4.28Å; A434-Y438 WeakPolarHBondContact O-CD2 3.27Å; A434-Y438 PolarHBondContact O-N 3.09Å
435	A	95.5	Very high	93	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-38.8	176.6	0	0	0	0	0	111.9	V431 M432 K439 M440 L443 E444	V431-A435 WeakPolarHBondContact O-CB 3.48Å; V431-A435 PolarHBondContact O-N 3.35Å; M432-A435 PolarHBondContact O-N 3.26Å; A435-K439 WeakPolarHBondContact O-CA 3.34Å; A435-K439 PolarHBondContact O-N 3.29Å; A435-M440 HydrophobicContact CB-CB 4.28Å; A435-M440 PolarHBondContact O-N 3.49Å; A435-L443 HydrophobicContact CB-CB 4.01Å; A435-L443 HydrophobicContact CB-CD2 4.09Å; A435-L443 HydrophobicContact CB-CG 3.97Å; A435-E444 HydrophobicContact CB-CB 3.8Å
436	H	95	Very high	93	Very high	48 Å²	48	46.5 Å²	46.5	22%	0.222	23%	0.225	C	C	.	.	H	α-helix	trans	-67.7	-43.3	175.2	-175.6	80.6	0	0	0	112.8	M432 Q433 A434 K439 E444 V470	M432-H436 WeakPolarHBondContact O-CB 3.07Å; M432-H436 PolarHBondContact O-N 2.93Å; Q433-H436 PolarHBondContact O-N 3.4Å; A434-H436 VanDerWaalsContact C-N 3.29Å; A434-H436 PolarHBondContact O-N 3.39Å; H436-K439 PolarHBondContact NE2-NZ 2.91Å; H436-K439 WeakPolarHBondContact O-CD 3.04Å; H436-K439 WeakPolarHBondContact O-CE 3.06Å; H436-K439 PolarHBondContact O-N 3.23Å; H436-K439 PolarHBondContact O-NZ 3.15Å; H436-E444 IonicContact CG-OE1 2.92Å; H436-E444 IonicContact ND1-OE1 3.77Å; H436-E444 PolarHBondContact ND1-OE1 2.98Å; H436-E444 VanDerWaalsContact ND1-OE1 3.13Å; H436-E444 IonicContact ND1-OE2 3.79Å; H436-V470 HydrophobicContact CB-CG1 4.29Å; H436-V470 HydrophobicContact CB-CG2 4.32Å; H436-V470 PolarHBondContact CE1-O 3.22Å
437	E	94.5	Very high	93.1	Very high	65 Å²	65	41 Å²	41	30%	0.304	20%	0.196	S	C	.	.	H	α-helix	trans	-62.1	-47.2	179	-172.9	174	154.5	0	0	110.8	Q403 F404 Q433 A434 K439	Q403-E437 VanDerWaalsContact NE2-CD 3.34Å; Q403-E437 PolarHBondContact NE2-OE1 3.22Å; Q403-E437 PolarHBondContact NE2-OE2 2.82Å; F404-E437 WeakPolarHBondContact CE2-OE2 3.16Å; F404-E437 VanDerWaalsContact CZ-OE2 3.26Å; F404-E437 WeakPolarHBondContact CZ-OE2 3.42Å; Q433-E437 WeakPolarHBondContact O-CB 2.94Å; Q433-E437 PolarHBondContact O-N 3.17Å; A434-E437 PolarHBondContact O-N 2.85Å; E437-K439 VanDerWaalsContact C-N 3.31Å; E437-K439 PolarHBondContact O-N 2.94Å
438	Y	94.9	Very high	93.1	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	13.3	-180	-54.8	-57.4	0	0	0	113.8	S383 M386 L389 L399 A401 F404 M409 M412 A434 M440	S383-Y438 WeakPolarHBondContact CB-O 3.26Å; S383-Y438 PolarHBondContact OG-O 3.13Å; M386-Y438 HydrophobicContact CE-CD1 3.95Å; M386-Y438 HydrophobicContact CE-CD2 3.97Å; M386-Y438 HydrophobicContact CE-CG 3.58Å; M386-Y438 HydrophobicContact CG-CD1 3.76Å; M386-Y438 HydrophobicContact CG-CE1 4.36Å; M386-Y438 HydrophobicContact CG-CG 4.31Å; L389-Y438 HydrophobicContact CD1-CD1 3.92Å; L389-Y438 HydrophobicContact CD1-CE1 3.69Å; L399-Y438 HydrophobicContact CD1-CE1 4.18Å; L399-Y438 HydrophobicContact CD2-CE1 4.26Å; A401-Y438 WeakPolarHBondContact CB-OH 3.42Å; F404-Y438 HydrophobicContact CE2-CE2 4.08Å; M409-Y438 HydrophobicContact CE-CE2 4.07Å; M409-Y438 HydrophobicContact SD-CE2 4.45Å; M412-Y438 HydrophobicContact CE-CD2 3.76Å; M412-Y438 HydrophobicContact CE-CE2 3.83Å; M412-Y438 HydrophobicContact SD-CD2 3.32Å; M412-Y438 WeakPolarHBondContact SD-CD2 3.18Å; M412-Y438 HydrophobicContact SD-CE2 3.85Å; M412-Y438 HydrophobicContact SD-CG 4.27Å; A434-Y438 HydrophobicContact CB-CD2 4.3Å; A434-Y438 HydrophobicContact CB-CE2 4.28Å; A434-Y438 WeakPolarHBondContact O-CD2 3.27Å; A434-Y438 PolarHBondContact O-N 3.09Å; Y438-M440 PolarHBondContact O-N 3.35Å
439	K	92.7	Very high	92.7	Very high	112 Å²	112	49 Å²	49	49%	0.487	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	52.8	174.5	-55.2	-59.3	169	-150	0	114.1	V385 A435 H436 E437 P441	V385-K439 HydrophobicContact CG2-CB 4.19Å; V385-K439 HydrophobicContact CG2-CG 3.83Å; A435-K439 WeakPolarHBondContact O-CA 3.34Å; A435-K439 PolarHBondContact O-N 3.29Å; H436-K439 PolarHBondContact NE2-NZ 2.91Å; H436-K439 WeakPolarHBondContact O-CD 3.04Å; H436-K439 WeakPolarHBondContact O-CE 3.06Å; H436-K439 PolarHBondContact O-N 3.23Å; H436-K439 PolarHBondContact O-NZ 3.15Å; E437-K439 VanDerWaalsContact C-N 3.31Å; E437-K439 PolarHBondContact O-N 2.94Å; K439-P441 VanDerWaalsContact C-CD 3.48Å; K439-P441 WeakPolarHBondContact O-CD 3.43Å
440	M	90.7	Very high	92.6	Very high	9 Å²	9	49.7 Å²	49.7	4%	0.044	23%	0.233	C	C	.	.			trans	-111.5	74.1	177.8	-65.3	177	54.9	0	0	111.1	M386 M412 Y415 I416 A435 Y438 N442 L443 E444	M386-M440 HydrophobicContact CE-SD 4.5Å; M412-M440 HydrophobicContact CG-CE 3.98Å; M412-M440 HydrophobicContact CG-SD 3.82Å; M412-M440 HydrophobicContact SD-SD 4.01Å; Y415-M440 HydrophobicContact CD1-CE 3.34Å; Y415-M440 HydrophobicContact CE1-CE 3.75Å; Y415-M440 HydrophobicContact CG-CE 4.47Å; I416-M440 HydrophobicContact CD1-CE 4.37Å; I416-M440 HydrophobicContact CD1-SD 4.21Å; I416-M440 HydrophobicContact CG1-CE 3.76Å; I416-M440 HydrophobicContact CG1-SD 4.19Å; A435-M440 HydrophobicContact CB-CB 4.28Å; A435-M440 PolarHBondContact O-N 3.49Å; Y438-M440 PolarHBondContact O-N 3.35Å; M440-N442 VanDerWaalsContact C-N 3.28Å; M440-N442 PolarHBondContact O-N 2.96Å; M440-N442 VanDerWaalsContact O-N 3.16Å; M440-L443 HydrophobicContact CB-CB 4.18Å; M440-L443 HydrophobicContact CE-CB 4.15Å; M440-L443 HydrophobicContact CE-CD2 3.63Å; M440-L443 PolarHBondContact O-N 2.95Å; M440-E444 PolarHBondContact O-N 3.08Å
441	P	85.6	Confident	92.6	Very high	88 Å²	88	46.7 Å²	46.7	57%	0.571	22%	0.219	S	C	*	.	H	α-helix	trans	-62	-31.4	-167.7	24.2	-35.6	0	0	0	114	K439 R445	K439-P441 VanDerWaalsContact C-CD 3.48Å; K439-P441 WeakPolarHBondContact O-CD 3.43Å; P441-R445 WeakPolarHBondContact O-CB 3.47Å; P441-R445 PolarHBondContact O-N 3.22Å
442	N	86.1	Confident	92.4	Very high	86 Å²	86	49.1 Å²	49.1	46%	0.46	23%	0.232	S	C	.	.	H	α-helix	trans	-69.2	-39.5	177.2	-75.4	-24.6	0	0	0	112.2	Y415 M440 I446	Y415-N442 WeakPolarHBondContact OH-CB 3.48Å; M440-N442 VanDerWaalsContact C-N 3.28Å; M440-N442 PolarHBondContact O-N 2.96Å; M440-N442 VanDerWaalsContact O-N 3.16Å; N442-I446 VanDerWaalsContact O-CG1 3.27Å; N442-I446 WeakPolarHBondContact O-CG1 3.48Å; N442-I446 PolarHBondContact O-N 3.28Å
443	L	90.6	Very high	92.1	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-69.7	-41.3	175.3	-178.3	61.6	0	0	0	110.7	M412 Y415 I423 V431 A435 M440 R445 I446 A447	M412-L443 HydrophobicContact CB-CD2 4.06Å; M412-L443 HydrophobicContact CG-CD2 3.78Å; Y415-L443 HydrophobicContact CD1-CB 3.93Å; Y415-L443 HydrophobicContact CD1-CD1 4.23Å; Y415-L443 HydrophobicContact CD1-CD2 4.1Å; Y415-L443 HydrophobicContact CD1-CG 4.32Å; Y415-L443 HydrophobicContact CD2-CD1 3.84Å; Y415-L443 HydrophobicContact CE1-CB 3.79Å; Y415-L443 HydrophobicContact CE2-CD1 4.38Å; Y415-L443 HydrophobicContact CG-CB 4.32Å; Y415-L443 HydrophobicContact CG-CD1 3.77Å; Y415-L443 HydrophobicContact CG-CD2 4.24Å; Y415-L443 HydrophobicContact CG-CG 4.34Å; I423-L443 HydrophobicContact CD1-CD1 3.87Å; V431-L443 HydrophobicContact CG1-CD1 4.06Å; V431-L443 HydrophobicContact CG1-CD2 4.16Å; V431-L443 HydrophobicContact CG1-CG 4.01Å; A435-L443 HydrophobicContact CB-CB 4.01Å; A435-L443 HydrophobicContact CB-CD2 4.09Å; A435-L443 HydrophobicContact CB-CG 3.97Å; M440-L443 HydrophobicContact CB-CB 4.18Å; M440-L443 HydrophobicContact CE-CB 4.15Å; M440-L443 HydrophobicContact CE-CD2 3.63Å; M440-L443 PolarHBondContact O-N 2.95Å; L443-R445 VanDerWaalsContact C-N 3.3Å; L443-R445 PolarHBondContact O-N 3.3Å; L443-I446 PolarHBondContact O-N 3.33Å; L443-I446 VanDerWaalsContact O-N 3.09Å; L443-A447 PolarHBondContact O-N 3.42Å
444	E	91.1	Very high	92	Very high	28 Å²	28	50.9 Å²	50.9	13%	0.131	26%	0.261	C	S	.	.	H	α-helix	trans	-55.4	-45.9	175.3	-169	175.8	164.5	0	0	110.8	M432 A435 H436 M440 I446 A447 E448 V470	M432-E444 HydrophobicContact CE-CG 4.5Å; M432-E444 HydrophobicContact CG-CG 4.05Å; A435-E444 HydrophobicContact CB-CB 3.8Å; H436-E444 IonicContact CG-OE1 2.92Å; H436-E444 IonicContact ND1-OE1 3.77Å; H436-E444 PolarHBondContact ND1-OE1 2.98Å; H436-E444 VanDerWaalsContact ND1-OE1 3.13Å; H436-E444 IonicContact ND1-OE2 3.79Å; M440-E444 PolarHBondContact O-N 3.08Å; E444-I446 PolarHBondContact O-N 2.97Å; E444-A447 PolarHBondContact O-N 3.44Å; E444-E448 VanDerWaalsContact O-CB 3.27Å; E444-E448 WeakPolarHBondContact O-CB 3.45Å; E444-E448 PolarHBondContact O-N 2.86Å; E444-V470 WeakPolarHBondContact OE1-CG1 3.33Å
445	R	87.1	Confident	91.9	Very high	154 Å²	154	52.3 Å²	52.3	58%	0.581	27%	0.268	S	S	*	.	H	α-helix	trans	-64.4	-35	175.9	-172.6	178.1	62	144.8	-2.3	113.7	P441 L443 K449	P441-R445 WeakPolarHBondContact O-CB 3.47Å; P441-R445 PolarHBondContact O-N 3.22Å; L443-R445 VanDerWaalsContact C-N 3.3Å; L443-R445 PolarHBondContact O-N 3.3Å; R445-K449 PolarHBondContact O-N 3.11Å; R445-K449 VanDerWaalsContact O-N 3.1Å
446	I	87.7	Confident	91.7	Very high	69 Å²	69	55.4 Å²	55.4	35%	0.354	29%	0.285	S	S	.	.	H	α-helix	trans	-68.7	-43.6	176.7	-62.7	163.1	0	0	0	109.6	Y415 I423 N442 L443 E444 K449 E450	Y415-I446 HydrophobicContact CD2-CD1 4.48Å; Y415-I446 HydrophobicContact CE2-CD1 3.83Å; I423-I446 HydrophobicContact CD1-CB 4.13Å; I423-I446 HydrophobicContact CD1-CG2 3.78Å; I423-I446 HydrophobicContact CG1-CG2 4.37Å; N442-I446 VanDerWaalsContact O-CG1 3.27Å; N442-I446 WeakPolarHBondContact O-CG1 3.48Å; N442-I446 PolarHBondContact O-N 3.28Å; L443-I446 PolarHBondContact O-N 3.33Å; L443-I446 VanDerWaalsContact O-N 3.09Å; E444-I446 PolarHBondContact O-N 2.97Å; I446-K449 PolarHBondContact O-N 3Å; I446-E450 PolarHBondContact O-N 2.82Å
447	A	94	Very high	91.5	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.5	-46.2	175.8	0	0	0	0	0	111.1	I423 V431 M432 L443 E444 K449 E450 L451	I423-A447 HydrophobicContact CD1-CB 3.79Å; V431-A447 HydrophobicContact CB-CB 4.4Å; V431-A447 HydrophobicContact CG1-CB 4.2Å; M432-A447 HydrophobicContact CB-CB 3.75Å; M432-A447 HydrophobicContact CG-CB 4.44Å; L443-A447 PolarHBondContact O-N 3.42Å; E444-A447 PolarHBondContact O-N 3.44Å; A447-K449 VanDerWaalsContact C-N 3.28Å; A447-K449 PolarHBondContact O-N 3.1Å; A447-E450 WeakPolarHBondContact O-CB 3.27Å; A447-E450 PolarHBondContact O-N 3.18Å; A447-E450 VanDerWaalsContact O-N 3.08Å; A447-L451 WeakPolarHBondContact O-CG 3.17Å; A447-L451 PolarHBondContact O-N 3.15Å
448	E	93.7	Very high	91.3	Very high	20 Å²	20	63.7 Å²	63.7	9%	0.093	32%	0.321	C	S	.	.	H	α-helix	trans	-53.9	-43.9	176.9	-171.7	-177.6	-140.7	0	0	112.3	M432 E444 E450 L451 I452 T473 V474 L475	M432-E448 HydrophobicContact CE-CB 4.04Å; M432-E448 HydrophobicContact CE-CG 3.99Å; M432-E448 HydrophobicContact SD-CB 4.31Å; E444-E448 VanDerWaalsContact O-CB 3.27Å; E444-E448 WeakPolarHBondContact O-CB 3.45Å; E444-E448 PolarHBondContact O-N 2.86Å; E448-E450 PolarHBondContact O-N 2.98Å; E448-L451 PolarHBondContact O-N 3.48Å; E448-I452 HydrophobicContact CG-CD1 3.94Å; E448-I452 WeakPolarHBondContact O-CG1 3.27Å; E448-I452 PolarHBondContact O-N 3.46Å; E448-T473 WeakPolarHBondContact OE1-CB 3.49Å; E448-T473 PolarHBondContact OE1-OG1 3.49Å; E448-V474 WeakPolarHBondContact OE1-CA 3.29Å; E448-V474 WeakPolarHBondContact OE1-CB 3.46Å; E448-V474 PolarHBondContact OE1-N 3.31Å; E448-L475 HydrophobicContact CG-CB 3.91Å; E448-L475 PolarHBondContact OE1-N 2.91Å
449	K	89.3	Confident	91.2	Very high	162 Å²	162	64.7 Å²	64.7	70%	0.704	33%	0.326	S	S	*	.	H	α-helix	trans	-61.8	-42.2	177.8	-174.5	-179.7	177.7	-177	0	112.5	R445 I446 A447 L451 G453	R445-K449 PolarHBondContact O-N 3.11Å; R445-K449 VanDerWaalsContact O-N 3.1Å; I446-K449 PolarHBondContact O-N 3Å; A447-K449 VanDerWaalsContact C-N 3.28Å; A447-K449 PolarHBondContact O-N 3.1Å; K449-L451 VanDerWaalsContact C-N 3.33Å; K449-G453 PolarHBondContact O-N 3.5Å
450	E	93.2	Very high	91.3	Very high	69 Å²	69	59.4 Å²	59.4	32%	0.322	30%	0.303	S	S	.	.	H	α-helix	trans	-65.8	-38.6	176.1	-175.5	61.9	-162.5	0	0	111.1	I423 A428 I446 A447 E448 G453 T454	I423-E450 HydrophobicContact CG2-CB 4.32Å; I423-E450 HydrophobicContact CG2-CG 4.31Å; A428-E450 HydrophobicContact CB-CB 4.23Å; A428-E450 HydrophobicContact CB-CG 4.13Å; I446-E450 PolarHBondContact O-N 2.82Å; A447-E450 WeakPolarHBondContact O-CB 3.27Å; A447-E450 PolarHBondContact O-N 3.18Å; A447-E450 VanDerWaalsContact O-N 3.08Å; E448-E450 PolarHBondContact O-N 2.98Å; E450-G453 PolarHBondContact O-N 3.09Å; E450-T454 WeakPolarHBondContact O-CG2 3.32Å; E450-T454 PolarHBondContact O-N 3.13Å; E450-T454 PolarHBondContact O-OG1 2.92Å
451	L	95.1	Very high	91.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-66.1	-41.3	178.1	-65.4	170.6	0	0	0	112.5	A428 E429 M432 A447 E448 K449 T454 L455 R463 L466 L475	A428-L451 HydrophobicContact CB-CD2 3.78Å; A428-L451 HydrophobicContact CB-CG 4.01Å; E429-L451 HydrophobicContact CG-CD2 3.69Å; M432-L451 HydrophobicContact CB-CD1 3.98Å; M432-L451 HydrophobicContact CG-CD1 4.27Å; M432-L451 HydrophobicContact SD-CD1 3.27Å; M432-L451 WeakPolarHBondContact SD-CD1 3.47Å; A447-L451 WeakPolarHBondContact O-CG 3.17Å; A447-L451 PolarHBondContact O-N 3.15Å; E448-L451 PolarHBondContact O-N 3.48Å; K449-L451 VanDerWaalsContact C-N 3.33Å; L451-T454 PolarHBondContact O-N 3.18Å; L451-T454 PolarHBondContact O-OG1 3.29Å; L451-L455 PolarHBondContact O-N 3.23Å; L451-R463 PolarHBondContact O-NH1 3.43Å; L451-L466 HydrophobicContact CD1-CD2 3.56Å; L451-L475 HydrophobicContact CB-CD1 4.41Å; L451-L475 HydrophobicContact CD1-CD2 4.22Å
452	I	93.3	Very high	91.8	Very high	50 Å²	50	57.6 Å²	57.6	26%	0.256	29%	0.293	S	S	.	.	H	α-helix	trans	-64.6	-44.6	175.2	-72.7	165.5	0	0	0	110.6	E448 T454 L455 V474 L475 V478	E448-I452 HydrophobicContact CG-CD1 3.94Å; E448-I452 WeakPolarHBondContact O-CG1 3.27Å; E448-I452 PolarHBondContact O-N 3.46Å; I452-T454 PolarHBondContact O-N 2.79Å; I452-L455 WeakPolarHBondContact O-CB 3.47Å; I452-L455 PolarHBondContact O-N 3.21Å; I452-V474 HydrophobicContact CD1-CB 4.42Å; I452-V474 HydrophobicContact CD1-CG1 3.94Å; I452-L475 HydrophobicContact CG1-CD1 3.97Å; I452-V478 HydrophobicContact CD1-CG2 4.01Å; I452-V478 HydrophobicContact CG1-CB 4.28Å; I452-V478 HydrophobicContact CG1-CG1 4.36Å; I452-V478 HydrophobicContact CG1-CG2 4.17Å; I452-V478 HydrophobicContact CG2-CG1 4.1Å; I452-V478 HydrophobicContact CG2-CG2 4.25Å
453	G	91.7	Very high	92.1	Very high	67 Å²	67	53.9 Å²	53.9	69%	0.691	27%	0.272	S	S	*	.	H	α-helix	trans	-65.7	-20.8	-178.6	0	0	0	0	0	114.2	K449 E450	K449-G453 PolarHBondContact O-N 3.5Å; E450-G453 PolarHBondContact O-N 3.09Å
454	T	93.5	Very high	92.4	Very high	40 Å²	40	53.9 Å²	53.9	25%	0.245	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	9	-178.6	55.7	0	0	0	0	113.5	S425 E450 L451 I452 D456 N459 R463	S425-T454 WeakPolarHBondContact OG-CB 3.11Å; S425-T454 PolarHBondContact OG-OG1 2.7Å; E450-T454 WeakPolarHBondContact O-CG2 3.32Å; E450-T454 PolarHBondContact O-N 3.13Å; E450-T454 PolarHBondContact O-OG1 2.92Å; L451-T454 PolarHBondContact O-N 3.18Å; L451-T454 PolarHBondContact O-OG1 3.29Å; I452-T454 PolarHBondContact O-N 2.79Å; T454-D456 PolarHBondContact O-N 2.74Å; T454-N459 PolarHBondContact O-ND2 3.3Å; T454-R463 PolarHBondContact OG1-NH1 3.47Å
455	L	94	Very high	92.5	Very high	29 Å²	29	56.5 Å²	56.5	15%	0.152	28%	0.283	C	S	.	.			trans	-64.4	126.7	-177.8	-177.1	65.2	0	0	0	112.1	L451 I452 I460 R463 V478 L479 Y482	L451-L455 PolarHBondContact O-N 3.23Å; I452-L455 WeakPolarHBondContact O-CB 3.47Å; I452-L455 PolarHBondContact O-N 3.21Å; L455-I460 HydrophobicContact CD1-CD1 3.88Å; L455-R463 HydrophobicContact CD1-CB 4.36Å; L455-R463 HydrophobicContact CD1-CG 4.1Å; L455-V478 HydrophobicContact CD2-CG1 3.85Å; L455-L479 HydrophobicContact CD1-CD2 3.51Å; L455-L479 HydrophobicContact CD2-CD2 4.05Å; L455-L479 HydrophobicContact CG-CD2 4.47Å; L455-Y482 HydrophobicContact CD2-CD2 3.78Å; L455-Y482 HydrophobicContact CD2-CE2 4.5Å; L455-Y482 HydrophobicContact CD2-CG 3.87Å; L455-Y482 HydrophobicContact CG-CD2 4.16Å; L455-Y482 HydrophobicContact CG-CE2 4.41Å; L455-Y482 HydrophobicContact CG-CG 4.42Å
456	D	92.5	Very high	92.9	Very high	66 Å²	66	49.7 Å²	49.7	35%	0.353	26%	0.258	S	S	.	.			trans	-145.3	178	176.7	71.9	19.7	0	0	0	112.1	T454 K458 N459 I460	T454-D456 PolarHBondContact O-N 2.74Å; D456-K458 PolarHBondContact O-N 2.96Å; D456-K458 WeakPolarHBondContact OD1-CA 3.41Å; D456-K458 WeakPolarHBondContact OD1-CB 3.46Å; D456-K458 PolarHBondContact OD1-N 3.5Å; D456-N459 PolarHBondContact N-OD1 3.23Å; D456-N459 PolarHBondContact O-N 3.42Å; D456-N459 PolarHBondContact O-OD1 3.23Å; D456-N459 VanDerWaalsContact O-OD1 3.12Å; D456-N459 PolarHBondContact OD1-N 2.92Å; D456-N459 PolarHBondContact OD1-ND2 3.25Å; D456-N459 PolarHBondContact OD1-OD1 3.18Å; D456-I460 WeakPolarHBondContact O-CB 3.33Å; D456-I460 PolarHBondContact O-N 3.44Å; D456-I460 VanDerWaalsContact O-N 3.08Å
457	E	90.5	Very high	93.1	Very high	101 Å²	101	46.4 Å²	46.4	47%	0.472	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-22.5	179.9	-63.6	-174.3	-173.5	0	0	113.6	I460 Y482 H488 V489	E457-I460 VanDerWaalsContact O-CG2 3.28Å; E457-I460 WeakPolarHBondContact O-CG2 3.35Å; E457-Y482 HydrophobicContact CG-CE1 4.46Å; E457-Y482 WeakPolarHBondContact CG-OH 3.26Å; E457-Y482 PolarHBondContact N-OH 3.38Å; E457-H488 VanDerWaalsContact CD-NE2 3.31Å; E457-H488 IonicContact OE1-CD2 3.87Å; E457-H488 IonicContact OE1-CE1 3.41Å; E457-H488 PolarHBondContact OE1-CE1 3.46Å; E457-H488 IonicContact OE1-NE2 2.71Å; E457-H488 PolarHBondContact OE1-NE2 3.01Å; E457-H488 IonicContact OE2-NE2 3.56Å; E457-V489 HydrophobicContact CG-CG2 4.19Å
458	K	90.5	Very high	93.1	Very high	185 Å²	185	50.5 Å²	50.5	80%	0.804	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-33.5	-177.5	-62.2	179.3	179.7	177.2	0	111.6	D456	D456-K458 PolarHBondContact O-N 2.96Å; D456-K458 WeakPolarHBondContact OD1-CA 3.41Å; D456-K458 WeakPolarHBondContact OD1-CB 3.46Å; D456-K458 PolarHBondContact OD1-N 3.5Å
459	N	92.8	Very high	93	Very high	23 Å²	23	53.7 Å²	53.7	12%	0.123	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-10.2	-177.7	65.5	35.7	0	0	0	113.8	T454 D456 V461 S462 R463	T454-N459 PolarHBondContact O-ND2 3.3Å; D456-N459 PolarHBondContact N-OD1 3.23Å; D456-N459 PolarHBondContact O-N 3.42Å; D456-N459 PolarHBondContact O-OD1 3.23Å; D456-N459 VanDerWaalsContact O-OD1 3.12Å; D456-N459 PolarHBondContact OD1-N 2.92Å; D456-N459 PolarHBondContact OD1-ND2 3.25Å; D456-N459 PolarHBondContact OD1-OD1 3.18Å; N459-V461 PolarHBondContact O-N 2.88Å; N459-S462 PolarHBondContact O-N 2.65Å; N459-S462 PolarHBondContact O-OG 3.24Å; N459-R463 HydrophobicContact CB-CG 4.47Å; N459-R463 VanDerWaalsContact O-CG 3.3Å; N459-R463 WeakPolarHBondContact O-CG 3.47Å; N459-R463 PolarHBondContact O-N 3.03Å
460	I	93.9	Very high	93.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-47.9	-41.7	-179.1	-171.6	66.1	0	0	0	113.5	L455 D456 E457 R463 V464 L479 Y482 I483 V489	L455-I460 HydrophobicContact CD1-CD1 3.88Å; D456-I460 WeakPolarHBondContact O-CB 3.33Å; D456-I460 PolarHBondContact O-N 3.44Å; D456-I460 VanDerWaalsContact O-N 3.08Å; E457-I460 VanDerWaalsContact O-CG2 3.28Å; E457-I460 WeakPolarHBondContact O-CG2 3.35Å; I460-R463 PolarHBondContact O-N 3.38Å; I460-V464 VanDerWaalsContact O-CG2 3.26Å; I460-V464 WeakPolarHBondContact O-CG2 3.41Å; I460-V464 PolarHBondContact O-N 2.75Å; I460-L479 HydrophobicContact CD1-CD2 3.45Å; I460-L479 VanDerWaalsContact CD1-CD2 3.45Å; I460-Y482 HydrophobicContact CD1-CD1 3.8Å; I460-Y482 HydrophobicContact CD1-CE1 4.4Å; I460-Y482 HydrophobicContact CD1-CG 4.4Å; I460-Y482 HydrophobicContact CG1-CD1 4.39Å; I460-I483 HydrophobicContact CD1-CG1 4.37Å; I460-I483 HydrophobicContact CG1-CG1 4.48Å; I460-V489 HydrophobicContact CG1-CG1 4.22Å; I460-V489 HydrophobicContact CG2-CG1 3.67Å
461	V	93.5	Very high	92.8	Very high	19 Å²	19	43.8 Å²	43.8	12%	0.115	24%	0.24	C	C	.	.	H	α-helix	trans	-67.7	-42.5	-179.3	171.9	0	0	0	0	112.1	N459 R463 V464 K465 D494 W495 M498	N459-V461 PolarHBondContact O-N 2.88Å; V461-R463 VanDerWaalsContact C-N 3.34Å; V461-V464 PolarHBondContact O-N 3.36Å; V461-K465 WeakPolarHBondContact O-CG 3.41Å; V461-K465 PolarHBondContact O-N 2.84Å; V461-D494 HydrophobicContact CG2-CB 3.96Å; V461-W495 HydrophobicContact CG2-CE3 4.39Å; V461-M498 HydrophobicContact CG1-CB 3.89Å; V461-M498 HydrophobicContact CG1-CG 4.29Å; V461-M498 HydrophobicContact CG1-SD 3.83Å; V461-M498 HydrophobicContact CG2-CE 4.43Å
462	S	92.7	Very high	92.3	Very high	41 Å²	41	48.8 Å²	48.8	29%	0.287	27%	0.273	S	S	.	.	H	α-helix	trans	-66.6	-40.1	176.4	67.2	0	0	0	0	110.8	E429 N459 V464 K465 L466	E429-S462 WeakPolarHBondContact OE1-CB 3.46Å; E429-S462 PolarHBondContact OE1-OG 2.84Å; N459-S462 PolarHBondContact O-N 2.65Å; N459-S462 PolarHBondContact O-OG 3.24Å; S462-V464 PolarHBondContact O-N 3.15Å; S462-K465 PolarHBondContact O-N 3.36Å; S462-L466 PolarHBondContact O-N 3.17Å
463	R	94.3	Very high	92	Very high	8 Å²	8	47.9 Å²	47.9	3%	0.03	27%	0.269	C	S	.	.	H	α-helix	trans	-65.1	-37	178.5	-58.6	-65.9	154.1	108.9	-10.5	112.9	E429 L451 T454 L455 N459 I460 V461 L466 A467 L479	E429-R463 IonicContact OE1-CZ 3.3Å; E429-R463 IonicContact OE1-NE 3.68Å; E429-R463 PolarHBondContact OE1-NE 3.22Å; E429-R463 IonicContact OE1-NH2 3.88Å; E429-R463 PolarHBondContact OE1-NH2 3.41Å; L451-R463 PolarHBondContact O-NH1 3.43Å; T454-R463 PolarHBondContact OG1-NH1 3.47Å; L455-R463 HydrophobicContact CD1-CB 4.36Å; L455-R463 HydrophobicContact CD1-CG 4.1Å; N459-R463 HydrophobicContact CB-CG 4.47Å; N459-R463 VanDerWaalsContact O-CG 3.3Å; N459-R463 WeakPolarHBondContact O-CG 3.47Å; N459-R463 PolarHBondContact O-N 3.03Å; I460-R463 PolarHBondContact O-N 3.38Å; V461-R463 VanDerWaalsContact C-N 3.34Å; R463-L466 PolarHBondContact O-N 3.48Å; R463-A467 WeakPolarHBondContact O-CB 3.41Å; R463-A467 PolarHBondContact O-N 3.04Å; R463-L479 HydrophobicContact CB-CD1 4.14Å; R463-L479 HydrophobicContact CB-CD2 3.6Å; R463-L479 HydrophobicContact CB-CG 4.49Å; R463-L479 WeakPolarHBondContact O-CD1 3.35Å
464	V	95.4	Very high	91.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.1	-43.7	173.7	166.2	0	0	0	0	111.6	I460 V461 S462 L466 A467 K468 L479 I483 W495 M498 A505 I509	I460-V464 VanDerWaalsContact O-CG2 3.26Å; I460-V464 WeakPolarHBondContact O-CG2 3.41Å; I460-V464 PolarHBondContact O-N 2.75Å; V461-V464 PolarHBondContact O-N 3.36Å; S462-V464 PolarHBondContact O-N 3.15Å; V464-L466 VanDerWaalsContact C-N 3.34Å; V464-L466 PolarHBondContact O-N 3.2Å; V464-A467 PolarHBondContact O-N 3.01Å; V464-K468 PolarHBondContact O-N 3.41Å; V464-L479 HydrophobicContact CG2-CD1 4.26Å; V464-I483 HydrophobicContact CG2-CD1 4.43Å; V464-W495 HydrophobicContact CG2-CZ3 4.25Å; V464-M498 HydrophobicContact CB-CE 4.47Å; V464-M498 HydrophobicContact CB-SD 4.22Å; V464-M498 HydrophobicContact CG1-CE 4.03Å; V464-M498 HydrophobicContact CG1-SD 3.82Å; V464-A505 HydrophobicContact CG1-CB 4.23Å; V464-A505 WeakPolarHBondContact CG1-O 3.25Å; V464-I509 HydrophobicContact CB-CG2 4.43Å; V464-I509 HydrophobicContact CG1-CB 3.99Å; V464-I509 HydrophobicContact CG1-CG2 3.56Å; V464-I509 HydrophobicContact CG2-CB 4.23Å; V464-I509 HydrophobicContact CG2-CG1 4.12Å; V464-I509 HydrophobicContact CG2-CG2 3.93Å
465	K	94.5	Very high	91.8	Very high	84 Å²	84	46.4 Å²	46.4	37%	0.365	25%	0.247	S	C	.	.	H	α-helix	trans	-61.9	-43.3	175.6	-69.9	178.8	177.9	-173.3	0	111.6	V461 S462 K468 V469 M498 A505	V461-K465 WeakPolarHBondContact O-CG 3.41Å; V461-K465 PolarHBondContact O-N 2.84Å; S462-K465 PolarHBondContact O-N 3.36Å; K465-K468 WeakPolarHBondContact O-CB 3.36Å; K465-K468 PolarHBondContact O-N 3.39Å; K465-V469 PolarHBondContact O-N 2.94Å; K465-M498 HydrophobicContact CG-SD 4.24Å; K465-A505 HydrophobicContact CG-CB 4.17Å
466	L	94.2	Very high	91.7	Very high	10 Å²	10	45 Å²	45	5%	0.052	24%	0.24	C	C	.	.	H	α-helix	trans	-62.3	-47.4	175.5	-180	66.1	0	0	0	112	E429 M432 Q433 L451 S462 R463 V464 K468 V469 V470 L475	E429-L466 HydrophobicContact CB-CD2 3.84Å; E429-L466 HydrophobicContact CG-CD2 3.92Å; M432-L466 HydrophobicContact CB-CD2 4.35Å; M432-L466 HydrophobicContact SD-CD2 3.9Å; M432-L466 HydrophobicContact SD-CG 4.43Å; Q433-L466 HydrophobicContact CB-CD1 4.09Å; L451-L466 HydrophobicContact CD1-CD2 3.56Å; S462-L466 PolarHBondContact O-N 3.17Å; R463-L466 PolarHBondContact O-N 3.48Å; V464-L466 VanDerWaalsContact C-N 3.34Å; V464-L466 PolarHBondContact O-N 3.2Å; L466-K468 PolarHBondContact O-N 2.76Å; L466-V469 PolarHBondContact O-N 3.41Å; L466-V470 HydrophobicContact CD1-CG2 4.01Å; L466-V470 HydrophobicContact CG-CG2 4.28Å; L466-V470 WeakPolarHBondContact O-CG2 3.41Å; L466-V470 PolarHBondContact O-N 3Å; L466-L475 HydrophobicContact CD2-CD2 4.4Å
467	A	93.5	Very high	91.5	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.9	-32.8	178.3	0	0	0	0	0	112	R463 V464 G471 L475 L479 F508	R463-A467 WeakPolarHBondContact O-CB 3.41Å; R463-A467 PolarHBondContact O-N 3.04Å; V464-A467 PolarHBondContact O-N 3.01Å; A467-G471 CarbonylContact O-C 3.55Å; A467-G471 WeakPolarHBondContact O-CA 3.5Å; A467-G471 PolarHBondContact O-N 2.92Å; A467-L475 HydrophobicContact CB-CD2 4.37Å; A467-L479 HydrophobicContact CB-CD1 3.65Å; A467-F508 HydrophobicContact CB-CE1 4.26Å; A467-F508 WeakPolarHBondContact O-CE1 3.27Å
468	K	93.6	Very high	91.6	Very high	86 Å²	86	44.2 Å²	44.2	37%	0.374	24%	0.237	S	C	.	.	H	α-helix	trans	-65.3	-42.1	173.3	174.8	62.6	-174.6	170.5	0	112.7	V464 K465 L466 A505 F508	V464-K468 PolarHBondContact O-N 3.41Å; K465-K468 WeakPolarHBondContact O-CB 3.36Å; K465-K468 PolarHBondContact O-N 3.39Å; L466-K468 PolarHBondContact O-N 2.76Å; K468-A505 HydrophobicContact CB-CB 4.29Å; K468-A505 HydrophobicContact CG-CB 4.47Å; K468-F508 HydrophobicContact CB-CD1 4.13Å; K468-F508 HydrophobicContact CB-CG 4.48Å; K468-F508 HydrophobicContact CD-CB 3.61Å; K468-F508 HydrophobicContact CD-CD1 4.15Å; K468-F508 HydrophobicContact CD-CD2 4.01Å; K468-F508 HydrophobicContact CD-CG 3.66Å
469	V	91.8	Very high	91.8	Very high	87 Å²	87	35.4 Å²	35.4	53%	0.527	20%	0.198	S	C	.	.	H	α-helix	trans	-68.1	-46.5	-179.6	172.8	0	0	0	0	110.9	Q433 K465 L466	Q433-V469 HydrophobicContact CG-CG1 4.47Å; K465-V469 PolarHBondContact O-N 2.94Å; L466-V469 PolarHBondContact O-N 3.41Å
470	V	90.5	Very high	91.7	Very high	11 Å²	11	34.3 Å²	34.3	7%	0.067	19%	0.193	C	C	.	.	H	α-helix	trans	-74.4	-32.5	-178.4	179.1	0	0	0	0	111.6	M432 H436 E444 L466 T473	M432-V470 HydrophobicContact CE-CB 4.39Å; M432-V470 HydrophobicContact CE-CG1 3.89Å; M432-V470 HydrophobicContact CE-CG2 4.31Å; M432-V470 HydrophobicContact CG-CG2 4.29Å; H436-V470 HydrophobicContact CB-CG1 4.29Å; H436-V470 HydrophobicContact CB-CG2 4.32Å; H436-V470 PolarHBondContact CE1-O 3.22Å; E444-V470 WeakPolarHBondContact OE1-CG1 3.33Å; L466-V470 HydrophobicContact CD1-CG2 4.01Å; L466-V470 HydrophobicContact CG-CG2 4.28Å; L466-V470 WeakPolarHBondContact O-CG2 3.41Å; L466-V470 PolarHBondContact O-N 3Å; V470-T473 HydrophobicContact CG1-CG2 3.76Å
471	G	88	Confident	91.7	Very high	12 Å²	12	37.7 Å²	37.7	12%	0.124	21%	0.211	C	C	.	.			trans	96.3	-166.3	-177.7	0	0	0	0	0	113.4	A467 T473 S476	A467-G471 CarbonylContact O-C 3.55Å; A467-G471 WeakPolarHBondContact O-CA 3.5Å; A467-G471 PolarHBondContact O-N 2.92Å; G471-T473 PolarHBondContact O-N 3.08Å; G471-T473 VanDerWaalsContact O-N 3.15Å; G471-S476 PolarHBondContact O-OG 3.12Å
472	P	83	Confident	91.7	Very high	106 Å²	106	39.2 Å²	39.2	69%	0.688	21%	0.214	S	C	*	.	S	Bend	trans	-68.8	112.8	-174.3	27	-32.6	0	0	0	111.2
473	T	87.4	Confident	91.7	Very high	30 Å²	30	37.4 Å²	37.4	18%	0.184	20%	0.202	C	C	.	.	S	Bend	trans	-138.2	-179	-177.4	56.5	0	0	0	0	110.4	E448 V470 G471 L475 S476 Q477	E448-T473 WeakPolarHBondContact OE1-CB 3.49Å; E448-T473 PolarHBondContact OE1-OG1 3.49Å; V470-T473 HydrophobicContact CG1-CG2 3.76Å; G471-T473 PolarHBondContact O-N 3.08Å; G471-T473 VanDerWaalsContact O-N 3.15Å; T473-L475 PolarHBondContact O-N 3.36Å; T473-S476 PolarHBondContact N-OG 3.29Å; T473-S476 WeakPolarHBondContact O-CB 3.3Å; T473-S476 PolarHBondContact O-N 3.27Å; T473-Q477 PolarHBondContact O-N 2.9Å
474	V	88.1	Confident	91.6	Very high	76 Å²	76	38.7 Å²	38.7	46%	0.461	21%	0.209	S	C	.	.	H	α-helix	trans	-64.2	-33.8	176	-178.9	0	0	0	0	110.1	E448 I452 S476 Q477 V478	E448-V474 WeakPolarHBondContact OE1-CA 3.29Å; E448-V474 WeakPolarHBondContact OE1-CB 3.46Å; E448-V474 PolarHBondContact OE1-N 3.31Å; I452-V474 HydrophobicContact CD1-CB 4.42Å; I452-V474 HydrophobicContact CD1-CG1 3.94Å; V474-S476 VanDerWaalsContact C-N 3.33Å; V474-S476 PolarHBondContact O-N 3.49Å; V474-Q477 WeakPolarHBondContact O-CB 3.32Å; V474-Q477 PolarHBondContact O-N 3.24Å; V474-V478 HydrophobicContact CG1-CG2 4.32Å; V474-V478 WeakPolarHBondContact O-CG2 3.31Å; V474-V478 PolarHBondContact O-N 2.77Å
475	L	92.2	Very high	91.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-56.6	-47	173.2	178.7	63.2	0	0	0	111	M432 E448 L451 I452 L466 A467 T473 Q477 V478 L479	M432-L475 HydrophobicContact CE-CB 4.43Å; M432-L475 HydrophobicContact CE-CD2 4.11Å; M432-L475 HydrophobicContact SD-CD2 3.98Å; E448-L475 HydrophobicContact CG-CB 3.91Å; E448-L475 PolarHBondContact OE1-N 2.91Å; L451-L475 HydrophobicContact CB-CD1 4.41Å; L451-L475 HydrophobicContact CD1-CD2 4.22Å; I452-L475 HydrophobicContact CG1-CD1 3.97Å; L466-L475 HydrophobicContact CD2-CD2 4.4Å; A467-L475 HydrophobicContact CB-CD2 4.37Å; T473-L475 PolarHBondContact O-N 3.36Å; L475-Q477 VanDerWaalsContact C-N 3.27Å; L475-Q477 PolarHBondContact O-N 3.1Å; L475-V478 PolarHBondContact O-N 2.83Å; L475-V478 VanDerWaalsContact O-N 3.12Å; L475-L479 HydrophobicContact CD1-CD1 4.04Å; L475-L479 HydrophobicContact CD1-CD2 4.33Å; L475-L479 HydrophobicContact CD1-CG 3.94Å; L475-L479 HydrophobicContact CD2-CD1 4.4Å; L475-L479 HydrophobicContact CG-CD1 3.74Å; L475-L479 HydrophobicContact CG-CG 4.12Å; L475-L479 WeakPolarHBondContact O-CB 3.4Å; L475-L479 WeakPolarHBondContact O-CG 3.48Å; L475-L479 PolarHBondContact O-N 3.12Å
476	S	91.9	Very high	91.4	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.007	24%	0.237	C	C	.	.	H	α-helix	trans	-57.1	-41.6	177.7	-50.6	0	0	0	0	111.8	G471 T473 V474 S480 I509	G471-S476 PolarHBondContact O-OG 3.12Å; T473-S476 PolarHBondContact N-OG 3.29Å; T473-S476 WeakPolarHBondContact O-CB 3.3Å; T473-S476 PolarHBondContact O-N 3.27Å; V474-S476 VanDerWaalsContact C-N 3.33Å; V474-S476 PolarHBondContact O-N 3.49Å; S476-S480 WeakPolarHBondContact O-CB 3.43Å; S476-S480 PolarHBondContact O-N 3.21Å; S476-S480 PolarHBondContact O-OG 2.95Å; S476-I509 VanDerWaalsContact O-CD1 3.26Å; S476-I509 WeakPolarHBondContact O-CD1 3.33Å
477	Q	89.2	Confident	91.2	Very high	106 Å²	106	52 Å²	52	50%	0.495	26%	0.264	S	S	.	.	H	α-helix	trans	-68.9	-36.2	177.2	-62.9	177.7	-4.4	0	0	113.1	T473 V474 L475 S480 N481	T473-Q477 PolarHBondContact O-N 2.9Å; V474-Q477 WeakPolarHBondContact O-CB 3.32Å; V474-Q477 PolarHBondContact O-N 3.24Å; L475-Q477 VanDerWaalsContact C-N 3.27Å; L475-Q477 PolarHBondContact O-N 3.1Å; Q477-S480 WeakPolarHBondContact CA-OG 3.48Å; Q477-S480 PolarHBondContact O-OG 3.25Å; Q477-N481 WeakPolarHBondContact O-CB 3.34Å; Q477-N481 PolarHBondContact O-N 3.31Å; Q477-N481 PolarHBondContact O-ND2 3.04Å
478	V	91.7	Very high	91.2	Very high	44 Å²	44	56.9 Å²	56.9	27%	0.267	29%	0.286	S	S	.	.	H	α-helix	trans	-71.6	-42	177.1	172.3	0	0	0	0	110.6	I452 L455 V474 L475 N481 Y482	I452-V478 HydrophobicContact CD1-CG2 4.01Å; I452-V478 HydrophobicContact CG1-CB 4.28Å; I452-V478 HydrophobicContact CG1-CG1 4.36Å; I452-V478 HydrophobicContact CG1-CG2 4.17Å; I452-V478 HydrophobicContact CG2-CG1 4.1Å; I452-V478 HydrophobicContact CG2-CG2 4.25Å; L455-V478 HydrophobicContact CD2-CG1 3.85Å; V474-V478 HydrophobicContact CG1-CG2 4.32Å; V474-V478 WeakPolarHBondContact O-CG2 3.31Å; V474-V478 PolarHBondContact O-N 2.77Å; L475-V478 PolarHBondContact O-N 2.83Å; L475-V478 VanDerWaalsContact O-N 3.12Å; V478-N481 PolarHBondContact O-N 3.31Å; V478-Y482 WeakPolarHBondContact O-CB 3.43Å; V478-Y482 PolarHBondContact O-N 3.5Å
479	L	94.6	Very high	91.1	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.6	-45.6	177.9	-71.2	171.9	0	0	0	111.5	L455 I460 R463 V464 A467 L475 Y482 I483 I509	L455-L479 HydrophobicContact CD1-CD2 3.51Å; L455-L479 HydrophobicContact CD2-CD2 4.05Å; L455-L479 HydrophobicContact CG-CD2 4.47Å; I460-L479 HydrophobicContact CD1-CD2 3.45Å; I460-L479 VanDerWaalsContact CD1-CD2 3.45Å; R463-L479 HydrophobicContact CB-CD1 4.14Å; R463-L479 HydrophobicContact CB-CD2 3.6Å; R463-L479 HydrophobicContact CB-CG 4.49Å; R463-L479 WeakPolarHBondContact O-CD1 3.35Å; V464-L479 HydrophobicContact CG2-CD1 4.26Å; A467-L479 HydrophobicContact CB-CD1 3.65Å; L475-L479 HydrophobicContact CD1-CD1 4.04Å; L475-L479 HydrophobicContact CD1-CD2 4.33Å; L475-L479 HydrophobicContact CD1-CG 3.94Å; L475-L479 HydrophobicContact CD2-CD1 4.4Å; L475-L479 HydrophobicContact CG-CD1 3.74Å; L475-L479 HydrophobicContact CG-CG 4.12Å; L475-L479 WeakPolarHBondContact O-CB 3.4Å; L475-L479 WeakPolarHBondContact O-CG 3.48Å; L475-L479 PolarHBondContact O-N 3.12Å; L479-Y482 WeakPolarHBondContact O-CB 3.47Å; L479-Y482 PolarHBondContact O-N 3.46Å; L479-I483 WeakPolarHBondContact O-CD1 3.4Å; L479-I483 WeakPolarHBondContact O-CG1 3.38Å; L479-I483 PolarHBondContact O-N 2.95Å; L479-I509 HydrophobicContact CB-CD1 3.65Å; L479-I509 HydrophobicContact CB-CG1 4.15Å; L479-I509 HydrophobicContact CD1-CD1 4.45Å
480	S	92.8	Very high	91	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-46	177	60	0	0	0	0	111.4	S476 Q477 Y482 I483 I484 Q516	S476-S480 WeakPolarHBondContact O-CB 3.43Å; S476-S480 PolarHBondContact O-N 3.21Å; S476-S480 PolarHBondContact O-OG 2.95Å; Q477-S480 WeakPolarHBondContact CA-OG 3.48Å; Q477-S480 PolarHBondContact O-OG 3.25Å; S480-Y482 VanDerWaalsContact C-N 3.3Å; S480-Y482 PolarHBondContact O-N 3.39Å; S480-I483 PolarHBondContact O-N 3.3Å; S480-I484 VanDerWaalsContact O-CG1 3.25Å; S480-I484 WeakPolarHBondContact O-CG1 3.26Å; S480-I484 PolarHBondContact O-N 2.84Å; S480-Q516 PolarHBondContact OG-NE2 3.34Å; S480-Q516 PolarHBondContact OG-OE1 2.83Å
481	N	92.4	Very high	91.1	Very high	71 Å²	71	54.9 Å²	54.9	38%	0.38	28%	0.283	S	S	.	.	H	α-helix	trans	-60.7	-38.7	174.8	-83.2	-53.5	0	0	0	112.5	Q477 V478 I484 K485 Q516	Q477-N481 WeakPolarHBondContact O-CB 3.34Å; Q477-N481 PolarHBondContact O-N 3.31Å; Q477-N481 PolarHBondContact O-ND2 3.04Å; V478-N481 PolarHBondContact O-N 3.31Å; N481-I484 PolarHBondContact O-N 3.17Å; N481-K485 WeakPolarHBondContact O-CB 3.19Å; N481-K485 WeakPolarHBondContact O-CG 3.48Å; N481-K485 PolarHBondContact O-N 3.08Å; N481-K485 VanDerWaalsContact O-N 3.11Å; N481-Q516 PolarHBondContact ND2-OE1 3.08Å; N481-Q516 PolarHBondContact OD1-OE1 3.12Å
482	Y	93.9	Very high	91.3	Very high	50 Å²	50	56.1 Å²	56.1	20%	0.196	29%	0.29	C	S	.	.	H	α-helix	trans	-63.8	-45.5	176.6	-170.9	-85.5	0	0	0	111.2	L455 E457 I460 V478 L479 S480 K485 N486 V489	L455-Y482 HydrophobicContact CD2-CD2 3.78Å; L455-Y482 HydrophobicContact CD2-CE2 4.5Å; L455-Y482 HydrophobicContact CD2-CG 3.87Å; L455-Y482 HydrophobicContact CG-CD2 4.16Å; L455-Y482 HydrophobicContact CG-CE2 4.41Å; L455-Y482 HydrophobicContact CG-CG 4.42Å; E457-Y482 HydrophobicContact CG-CE1 4.46Å; E457-Y482 WeakPolarHBondContact CG-OH 3.26Å; E457-Y482 PolarHBondContact N-OH 3.38Å; I460-Y482 HydrophobicContact CD1-CD1 3.8Å; I460-Y482 HydrophobicContact CD1-CE1 4.4Å; I460-Y482 HydrophobicContact CD1-CG 4.4Å; I460-Y482 HydrophobicContact CG1-CD1 4.39Å; V478-Y482 WeakPolarHBondContact O-CB 3.43Å; V478-Y482 PolarHBondContact O-N 3.5Å; L479-Y482 WeakPolarHBondContact O-CB 3.47Å; L479-Y482 PolarHBondContact O-N 3.46Å; S480-Y482 VanDerWaalsContact C-N 3.3Å; S480-Y482 PolarHBondContact O-N 3.39Å; Y482-K485 PolarHBondContact O-N 3.36Å; Y482-N486 HydrophobicContact CD1-CB 4.29Å; Y482-N486 HydrophobicContact CE1-CB 4.06Å; Y482-N486 VanDerWaalsContact O-CB 3.29Å; Y482-N486 WeakPolarHBondContact O-CB 3.49Å; Y482-N486 PolarHBondContact O-N 2.82Å; Y482-N486 PolarHBondContact O-ND2 2.84Å; Y482-V489 HydrophobicContact CE1-CG2 4.3Å
483	I	93.5	Very high	91.8	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-63.6	-42.6	177.5	-68.4	160.5	0	0	0	111.2	I460 V464 L479 S480 K485 N486 R487 L490 W495 I509	I460-I483 HydrophobicContact CD1-CG1 4.37Å; I460-I483 HydrophobicContact CG1-CG1 4.48Å; V464-I483 HydrophobicContact CG2-CD1 4.43Å; L479-I483 WeakPolarHBondContact O-CD1 3.4Å; L479-I483 WeakPolarHBondContact O-CG1 3.38Å; L479-I483 PolarHBondContact O-N 2.95Å; S480-I483 PolarHBondContact O-N 3.3Å; I483-K485 VanDerWaalsContact C-N 3.28Å; I483-K485 PolarHBondContact O-N 3.34Å; I483-N486 CarbonylContact O-C 3.29Å; I483-N486 VanDerWaalsContact O-C 3.29Å; I483-N486 PolarHBondContact O-N 2.69Å; I483-R487 WeakPolarHBondContact O-CA 3.22Å; I483-R487 PolarHBondContact O-N 3.3Å; I483-L490 HydrophobicContact CG2-CD1 4.31Å; I483-L490 HydrophobicContact CG2-CD2 3.71Å; I483-L490 HydrophobicContact CG2-CG 4.1Å; I483-W495 HydrophobicContact CD1-CH2 3.6Å; I483-W495 HydrophobicContact CD1-CZ3 3.84Å; I483-W495 HydrophobicContact CG1-CH2 4.37Å; I483-W495 HydrophobicContact CG1-CZ3 4.3Å; I483-I509 HydrophobicContact CD1-CG1 3.69Å; I483-I509 HydrophobicContact CD1-CG2 3.97Å
484	I	92	Very high	92.1	Very high	35 Å²	35	60.4 Å²	60.4	18%	0.179	31%	0.305	C	S	.	.	H	α-helix	trans	-59.8	-41.2	177.9	-70	163.8	0	0	0	111.2	S480 N481 R487 A513 Q516 L517	S480-I484 VanDerWaalsContact O-CG1 3.25Å; S480-I484 WeakPolarHBondContact O-CG1 3.26Å; S480-I484 PolarHBondContact O-N 2.84Å; N481-I484 PolarHBondContact O-N 3.17Å; I484-R487 VanDerWaalsContact O-CG 3.25Å; I484-R487 WeakPolarHBondContact O-CG 3.45Å; I484-R487 PolarHBondContact O-NE 2.91Å; I484-A513 HydrophobicContact CD1-CB 4.15Å; I484-A513 WeakPolarHBondContact CD1-O 3.31Å; I484-A513 HydrophobicContact CG1-CB 4.07Å; I484-Q516 HydrophobicContact CD1-CB 3.91Å; I484-L517 HydrophobicContact CD1-CD2 4.35Å; I484-L517 HydrophobicContact CD1-CG 4.1Å; I484-L517 HydrophobicContact CG1-CD2 4.28Å; I484-L517 HydrophobicContact CG1-CG 4.2Å; I484-L517 HydrophobicContact CG2-CD2 3.75Å
485	K	91.9	Very high	92.3	Very high	166 Å²	166	56.8 Å²	56.8	72%	0.722	28%	0.283	S	S	*	.	H	α-helix	trans	-76.3	-35.2	178.8	-70.9	177.6	-178.2	179.1	0	112.7	N481 Y482 I483	N481-K485 WeakPolarHBondContact O-CB 3.19Å; N481-K485 WeakPolarHBondContact O-CG 3.48Å; N481-K485 PolarHBondContact O-N 3.08Å; N481-K485 VanDerWaalsContact O-N 3.11Å; Y482-K485 PolarHBondContact O-N 3.36Å; I483-K485 VanDerWaalsContact C-N 3.28Å; I483-K485 PolarHBondContact O-N 3.34Å
486	N	92.5	Very high	92.4	Very high	43 Å²	43	61 Å²	61	23%	0.23	30%	0.302	C	S	.	.			trans	-114.5	57.8	-175	-59.6	-66.9	0	0	0	110.9	Y482 I483 H488 V489	Y482-N486 HydrophobicContact CD1-CB 4.29Å; Y482-N486 HydrophobicContact CE1-CB 4.06Å; Y482-N486 VanDerWaalsContact O-CB 3.29Å; Y482-N486 WeakPolarHBondContact O-CB 3.49Å; Y482-N486 PolarHBondContact O-N 2.82Å; Y482-N486 PolarHBondContact O-ND2 2.84Å; I483-N486 CarbonylContact O-C 3.29Å; I483-N486 VanDerWaalsContact O-C 3.29Å; I483-N486 PolarHBondContact O-N 2.69Å; N486-H488 PolarHBondContact O-N 3.09Å; N486-V489 HydrophobicContact CB-CG2 4Å; N486-V489 WeakPolarHBondContact O-CB 3.43Å; N486-V489 VanDerWaalsContact O-CG2 3.31Å; N486-V489 WeakPolarHBondContact O-CG2 3.23Å; N486-V489 PolarHBondContact O-N 3.42Å
487	R	90.7	Very high	92.5	Very high	163 Å²	163	66.2 Å²	66.2	62%	0.615	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-58.5	-22.5	-172.5	-60.3	-175.8	-177.7	-175.2	-3.9	114	I483 I484 V489 L490	I483-R487 WeakPolarHBondContact O-CA 3.22Å; I483-R487 PolarHBondContact O-N 3.3Å; I484-R487 VanDerWaalsContact O-CG 3.25Å; I484-R487 WeakPolarHBondContact O-CG 3.45Å; I484-R487 PolarHBondContact O-NE 2.91Å; R487-V489 PolarHBondContact O-N 2.83Å; R487-L490 WeakPolarHBondContact O-CB 3.22Å; R487-L490 PolarHBondContact O-N 2.96Å
488	H	92.7	Very high	92.8	Very high	103 Å²	103	61.3 Å²	61.3	48%	0.477	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-63	-23	176	62	-75.2	0	0	0	113	E457 N486 L490 S491	E457-H488 VanDerWaalsContact CD-NE2 3.31Å; E457-H488 IonicContact OE1-CD2 3.87Å; E457-H488 IonicContact OE1-CE1 3.41Å; E457-H488 PolarHBondContact OE1-CE1 3.46Å; E457-H488 IonicContact OE1-NE2 2.71Å; E457-H488 PolarHBondContact OE1-NE2 3.01Å; E457-H488 IonicContact OE2-NE2 3.56Å; N486-H488 PolarHBondContact O-N 3.09Å; H488-L490 PolarHBondContact O-N 3.4Å; H488-S491 WeakPolarHBondContact O-CB 3.32Å; H488-S491 PolarHBondContact O-N 3.45Å
489	V	91.5	Very high	92.9	Very high	4 Å²	4	63 Å²	63	2%	0.024	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-56.8	-35.6	174	172.5	0	0	0	0	111.6	E457 I460 Y482 N486 R487 S491 S492 W495	E457-V489 HydrophobicContact CG-CG2 4.19Å; I460-V489 HydrophobicContact CG1-CG1 4.22Å; I460-V489 HydrophobicContact CG2-CG1 3.67Å; Y482-V489 HydrophobicContact CE1-CG2 4.3Å; N486-V489 HydrophobicContact CB-CG2 4Å; N486-V489 WeakPolarHBondContact O-CB 3.43Å; N486-V489 VanDerWaalsContact O-CG2 3.31Å; N486-V489 WeakPolarHBondContact O-CG2 3.23Å; N486-V489 PolarHBondContact O-N 3.42Å; R487-V489 PolarHBondContact O-N 2.83Å; V489-S491 PolarHBondContact O-N 2.89Å; V489-S492 VanDerWaalsContact O-CB 3.27Å; V489-S492 WeakPolarHBondContact O-CB 3.49Å; V489-S492 PolarHBondContact O-N 3.47Å; V489-S492 PolarHBondContact O-OG 3.31Å; V489-W495 HydrophobicContact CG1-CE3 4.02Å; V489-W495 VanDerWaalsContact O-CB 3.23Å; V489-W495 WeakPolarHBondContact O-CB 3.38Å
490	L	90.6	Very high	92.8	Very high	58 Å²	58	71.1 Å²	71.1	30%	0.304	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-62.5	-23.1	177.3	-58.8	179.1	0	0	0	112.8	I483 R487 H488 W495 L510	I483-L490 HydrophobicContact CG2-CD1 4.31Å; I483-L490 HydrophobicContact CG2-CD2 3.71Å; I483-L490 HydrophobicContact CG2-CG 4.1Å; R487-L490 WeakPolarHBondContact O-CB 3.22Å; R487-L490 PolarHBondContact O-N 2.96Å; H488-L490 PolarHBondContact O-N 3.4Å; L490-W495 HydrophobicContact CD2-CD2 3.91Å; L490-W495 HydrophobicContact CD2-CE3 4.41Å; L490-W495 HydrophobicContact CD2-CG 4.49Å; L490-W495 HydrophobicContact CD2-CH2 3.94Å; L490-W495 HydrophobicContact CD2-CZ2 3.38Å; L490-W495 HydrophobicContact CD2-CZ3 4.42Å; L490-W495 VanDerWaalsContact O-CD1 3.31Å; L490-L510 HydrophobicContact CD2-CD2 3.95Å
491	S	92.2	Very high	92.9	Very high	81 Å²	81	76.2 Å²	76.2	57%	0.566	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-92.3	-7	178.4	-63.8	0	0	0	0	113.5	H488 V489 K496	H488-S491 WeakPolarHBondContact O-CB 3.32Å; H488-S491 PolarHBondContact O-N 3.45Å; V489-S491 PolarHBondContact O-N 2.89Å; S491-K496 VanDerWaalsContact O-CE 3.31Å; S491-K496 WeakPolarHBondContact O-CE 3.29Å; S491-K496 PolarHBondContact O-NZ 3.09Å
492	S	93.3	Very high	92.9	Very high	38 Å²	38	75 Å²	75	27%	0.266	36%	0.358	S	S	.	.	S	Bend	trans	-65.5	153	-179.8	70.6	0	0	0	0	112.1	V489 D494 W495 K496	V489-S492 VanDerWaalsContact O-CB 3.27Å; V489-S492 WeakPolarHBondContact O-CB 3.49Å; V489-S492 PolarHBondContact O-N 3.47Å; V489-S492 PolarHBondContact O-OG 3.31Å; S492-D494 VanDerWaalsContact C-N 3.3Å; S492-D494 PolarHBondContact O-N 3.22Å; S492-W495 PolarHBondContact O-N 3.25Å; S492-W495 VanDerWaalsContact OG-CB 3.24Å; S492-W495 WeakPolarHBondContact OG-CB 3.33Å; S492-W495 PolarHBondContact OG-N 3.15Å; S492-K496 WeakPolarHBondContact O-CG 3.38Å; S492-K496 PolarHBondContact O-N 3.04Å
493	D	93	Very high	92.9	Very high	131 Å²	131	76.3 Å²	76.3	70%	0.701	37%	0.372	S	S	*	.	H	α-helix	trans	-66.1	-35.1	179.4	-69.1	-30.4	0	0	0	112	K496 K497	D493-K496 PolarHBondContact O-N 3.32Å; D493-K497 VanDerWaalsContact O-CB 3.29Å; D493-K497 WeakPolarHBondContact O-CB 3.28Å; D493-K497 PolarHBondContact O-N 3.42Å
494	D	92.4	Very high	92.9	Very high	94 Å²	94	79 Å²	79	50%	0.503	39%	0.391	S	S	.	.	H	α-helix	trans	-65.1	-40.4	176.1	-67.8	-36.7	0	0	0	111.7	V461 S492 K497 M498	V461-D494 HydrophobicContact CG2-CB 3.96Å; S492-D494 VanDerWaalsContact C-N 3.3Å; S492-D494 PolarHBondContact O-N 3.22Å; D494-K497 PolarHBondContact O-N 2.89Å; D494-M498 PolarHBondContact O-N 3.04Å
495	W	93.9	Very high	93	Very high	0 Å²	0	77.3 Å²	77.3	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-66.2	-49	175.4	-171.7	-85	0	0	0	111.9	V461 V464 I483 V489 L490 S492 K497 M498 E499 I509 L510	V461-W495 HydrophobicContact CG2-CE3 4.39Å; V464-W495 HydrophobicContact CG2-CZ3 4.25Å; I483-W495 HydrophobicContact CD1-CH2 3.6Å; I483-W495 HydrophobicContact CD1-CZ3 3.84Å; I483-W495 HydrophobicContact CG1-CH2 4.37Å; I483-W495 HydrophobicContact CG1-CZ3 4.3Å; V489-W495 HydrophobicContact CG1-CE3 4.02Å; V489-W495 VanDerWaalsContact O-CB 3.23Å; V489-W495 WeakPolarHBondContact O-CB 3.38Å; L490-W495 HydrophobicContact CD2-CD2 3.91Å; L490-W495 HydrophobicContact CD2-CE3 4.41Å; L490-W495 HydrophobicContact CD2-CG 4.49Å; L490-W495 HydrophobicContact CD2-CH2 3.94Å; L490-W495 HydrophobicContact CD2-CZ2 3.38Å; L490-W495 HydrophobicContact CD2-CZ3 4.42Å; L490-W495 VanDerWaalsContact O-CD1 3.31Å; S492-W495 PolarHBondContact O-N 3.25Å; S492-W495 VanDerWaalsContact OG-CB 3.24Å; S492-W495 WeakPolarHBondContact OG-CB 3.33Å; S492-W495 PolarHBondContact OG-N 3.15Å; W495-K497 PolarHBondContact O-N 2.87Å; W495-M498 HydrophobicContact CD2-CE 3.67Å; W495-M498 HydrophobicContact CE3-CE 3.45Å; W495-M498 VanDerWaalsContact CE3-CE 3.45Å; W495-M498 HydrophobicContact CG-CE 4.45Å; W495-M498 HydrophobicContact CH2-CE 3.72Å; W495-M498 HydrophobicContact CZ2-CE 3.92Å; W495-M498 HydrophobicContact CZ3-CE 3.49Å; W495-M498 VanDerWaalsContact CZ3-CE 3.49Å; W495-M498 CarbonylContact O-C 3.6Å; W495-M498 WeakPolarHBondContact O-CA 3.49Å; W495-M498 WeakPolarHBondContact O-CB 3.33Å; W495-M498 PolarHBondContact O-N 2.95Å; W495-E499 PolarHBondContact NE1-OE1 2.84Å; W495-E499 PolarHBondContact O-N 3.21Å; W495-I509 HydrophobicContact CH2-CG2 3.7Å; W495-I509 HydrophobicContact CZ2-CG2 4.39Å; W495-L510 HydrophobicContact CZ2-CD1 4.29Å; W495-L510 HydrophobicContact CZ2-CD2 4.15Å; W495-L510 HydrophobicContact CZ2-CG 4.13Å
496	K	93.7	Very high	93.1	Very high	89 Å²	89	69.8 Å²	69.8	39%	0.387	35%	0.351	S	S	.	.	H	α-helix	trans	-59.3	-33.8	176.2	-72.2	170.6	179.5	152.5	0	112	S491 S492 D493 R500	S491-K496 VanDerWaalsContact O-CE 3.31Å; S491-K496 WeakPolarHBondContact O-CE 3.29Å; S491-K496 PolarHBondContact O-NZ 3.09Å; S492-K496 WeakPolarHBondContact O-CG 3.38Å; S492-K496 PolarHBondContact O-N 3.04Å; D493-K496 PolarHBondContact O-N 3.32Å; K496-R500 WeakPolarHBondContact O-CG 3.23Å; K496-R500 PolarHBondContact O-N 3.11Å; K496-R500 PolarHBondContact O-NH1 3.33Å
497	K	94.3	Very high	93.1	Very high	111 Å²	111	69.8 Å²	69.8	48%	0.483	36%	0.357	S	S	.	.	H	α-helix	trans	-67.3	-45.6	173.7	-176	179.6	178.2	-175.5	0	111	D493 D494 W495 E499 R500 D501	D493-K497 VanDerWaalsContact O-CB 3.29Å; D493-K497 WeakPolarHBondContact O-CB 3.28Å; D493-K497 PolarHBondContact O-N 3.42Å; D494-K497 PolarHBondContact O-N 2.89Å; W495-K497 PolarHBondContact O-N 2.87Å; K497-E499 VanDerWaalsContact C-N 3.32Å; K497-E499 PolarHBondContact O-N 3.25Å; K497-R500 PolarHBondContact O-N 3.49Å; K497-R500 VanDerWaalsContact O-N 3.15Å; K497-D501 WeakPolarHBondContact CE-OD2 3.49Å; K497-D501 VanDerWaalsContact CG-OD2 3.31Å; K497-D501 WeakPolarHBondContact CG-OD2 3.38Å; K497-D501 WeakPolarHBondContact O-CB 3.45Å; K497-D501 PolarHBondContact O-N 3.36Å
498	M	94.9	Very high	93.3	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.015	33%	0.334	C	S	.	.	H	α-helix	trans	-58.6	-41.9	173.6	179.2	177	60.8	0	0	112.1	V461 V464 K465 D494 W495 R500 D501 D502 A505	V461-M498 HydrophobicContact CG1-CB 3.89Å; V461-M498 HydrophobicContact CG1-CG 4.29Å; V461-M498 HydrophobicContact CG1-SD 3.83Å; V461-M498 HydrophobicContact CG2-CE 4.43Å; V464-M498 HydrophobicContact CB-CE 4.47Å; V464-M498 HydrophobicContact CB-SD 4.22Å; V464-M498 HydrophobicContact CG1-CE 4.03Å; V464-M498 HydrophobicContact CG1-SD 3.82Å; K465-M498 HydrophobicContact CG-SD 4.24Å; D494-M498 PolarHBondContact O-N 3.04Å; W495-M498 HydrophobicContact CD2-CE 3.67Å; W495-M498 HydrophobicContact CE3-CE 3.45Å; W495-M498 VanDerWaalsContact CE3-CE 3.45Å; W495-M498 HydrophobicContact CG-CE 4.45Å; W495-M498 HydrophobicContact CH2-CE 3.72Å; W495-M498 HydrophobicContact CZ2-CE 3.92Å; W495-M498 HydrophobicContact CZ3-CE 3.49Å; W495-M498 VanDerWaalsContact CZ3-CE 3.49Å; W495-M498 CarbonylContact O-C 3.6Å; W495-M498 WeakPolarHBondContact O-CA 3.49Å; W495-M498 WeakPolarHBondContact O-CB 3.33Å; W495-M498 PolarHBondContact O-N 2.95Å; M498-R500 PolarHBondContact O-N 3.38Å; M498-D501 PolarHBondContact O-N 2.94Å; M498-D502 CarbonylContact O-C 3.44Å; M498-D502 WeakPolarHBondContact O-CA 3.47Å; M498-D502 PolarHBondContact O-N 3.27Å; M498-D502 VanDerWaalsContact O-O 3.11Å; M498-A505 HydrophobicContact SD-CB 4.27Å
499	E	93.3	Very high	93.3	Very high	79 Å²	79	58.6 Å²	58.6	37%	0.369	31%	0.312	S	S	.	.	H	α-helix	trans	-62.5	-29	177.4	-72.9	-178.7	156.8	0	0	113.6	W495 K497 P503	W495-E499 PolarHBondContact NE1-OE1 2.84Å; W495-E499 PolarHBondContact O-N 3.21Å; K497-E499 VanDerWaalsContact C-N 3.32Å; K497-E499 PolarHBondContact O-N 3.25Å; E499-P503 WeakPolarHBondContact O-CB 3.34Å
500	R	94.2	Very high	93.4	Very high	171 Å²	171	60.7 Å²	60.7	65%	0.645	32%	0.322	S	S	*	.	H	α-helix	trans	-80.7	-46.2	174.4	-68.5	-170.3	-55.7	-89.5	2.9	112.5	K496 K497 M498	K496-R500 WeakPolarHBondContact O-CG 3.23Å; K496-R500 PolarHBondContact O-N 3.11Å; K496-R500 PolarHBondContact O-NH1 3.33Å; K497-R500 PolarHBondContact O-N 3.49Å; K497-R500 VanDerWaalsContact O-N 3.15Å; M498-R500 PolarHBondContact O-N 3.38Å
501	D	94.2	Very high	93.4	Very high	106 Å²	106	64.7 Å²	64.7	57%	0.567	34%	0.337	S	S	*	.	H	α-helix	trans	-85.4	-32.6	-170.1	-62.2	-10.5	0	0	0	112.3	K497 M498	K497-D501 WeakPolarHBondContact CE-OD2 3.49Å; K497-D501 VanDerWaalsContact CG-OD2 3.31Å; K497-D501 WeakPolarHBondContact CG-OD2 3.38Å; K497-D501 WeakPolarHBondContact O-CB 3.45Å; K497-D501 PolarHBondContact O-N 3.36Å; M498-D501 PolarHBondContact O-N 2.94Å
502	D	92.7	Very high	93.2	Very high	45 Å²	45	63.6 Å²	63.6	24%	0.241	32%	0.323	C	S	.	.			trans	-145.5	73.1	179.2	-173.3	-0.6	0	0	0	111.3	M498 S504 A505	M498-D502 CarbonylContact O-C 3.44Å; M498-D502 WeakPolarHBondContact O-CA 3.47Å; M498-D502 PolarHBondContact O-N 3.27Å; M498-D502 VanDerWaalsContact O-O 3.11Å; D502-S504 PolarHBondContact O-N 3.32Å; D502-S504 VanDerWaalsContact O-N 3.1Å; D502-S504 WeakPolarHBondContact OD1-CB 3.32Å; D502-S504 PolarHBondContact OD1-N 3.42Å; D502-S504 PolarHBondContact OD1-OG 3.27Å; D502-A505 HydrophobicContact CB-CB 4.43Å; D502-A505 PolarHBondContact O-N 3.18Å; D502-A505 PolarHBondContact OD1-N 2.88Å; D502-A505 VanDerWaalsContact OD1-N 3.15Å; D502-A505 WeakPolarHBondContact OD2-CB 3.5Å
503	P	93.7	Very high	93	Very high	78 Å²	78	62 Å²	62	51%	0.506	31%	0.312	S	S	.	.	H	α-helix	trans	-62.2	-17.5	176.9	24.4	-34	0	0	0	113	E499 S506 A507	E499-P503 WeakPolarHBondContact O-CB 3.34Å; P503-S506 PolarHBondContact O-OG 3.41Å; P503-S506 VanDerWaalsContact O-OG 3.09Å; P503-A507 VanDerWaalsContact O-CB 3.22Å; P503-A507 WeakPolarHBondContact O-CB 3.45Å; P503-A507 PolarHBondContact O-N 3.3Å; P503-A507 VanDerWaalsContact O-N 3.08Å
504	S	93.7	Very high	92.8	Very high	60 Å²	60	61.2 Å²	61.2	42%	0.42	31%	0.307	S	S	.	.	H	α-helix	trans	-73.7	-35.7	-179	84.4	0	0	0	0	112.2	D502 F508	D502-S504 PolarHBondContact O-N 3.32Å; D502-S504 VanDerWaalsContact O-N 3.1Å; D502-S504 WeakPolarHBondContact OD1-CB 3.32Å; D502-S504 PolarHBondContact OD1-N 3.42Å; D502-S504 PolarHBondContact OD1-OG 3.27Å; S504-F508 WeakPolarHBondContact O-CB 3.24Å; S504-F508 PolarHBondContact O-N 3.41Å; S504-F508 VanDerWaalsContact O-N 3.08Å
505	A	93	Very high	92.4	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-70.4	-45.4	176.5	0	0	0	0	0	111.7	V464 K465 K468 M498 D502 F508 I509	V464-A505 HydrophobicContact CG1-CB 4.23Å; V464-A505 WeakPolarHBondContact CG1-O 3.25Å; K465-A505 HydrophobicContact CG-CB 4.17Å; K468-A505 HydrophobicContact CB-CB 4.29Å; K468-A505 HydrophobicContact CG-CB 4.47Å; M498-A505 HydrophobicContact SD-CB 4.27Å; D502-A505 HydrophobicContact CB-CB 4.43Å; D502-A505 PolarHBondContact O-N 3.18Å; D502-A505 PolarHBondContact OD1-N 2.88Å; D502-A505 VanDerWaalsContact OD1-N 3.15Å; D502-A505 WeakPolarHBondContact OD2-CB 3.5Å; A505-F508 PolarHBondContact O-N 3.44Å; A505-I509 PolarHBondContact O-N 3.4Å
506	S	93.8	Very high	91.7	Very high	9 Å²	9	65.7 Å²	65.7	6%	0.063	33%	0.333	C	S	.	.	H	α-helix	trans	-62.6	-44.7	175.8	63.9	0	0	0	0	111.4	P503 F508 I509 L510	P503-S506 PolarHBondContact O-OG 3.41Å; P503-S506 VanDerWaalsContact O-OG 3.09Å; S506-F508 VanDerWaalsContact C-N 3.31Å; S506-F508 PolarHBondContact O-N 3.34Å; S506-I509 WeakPolarHBondContact O-CG2 3.31Å; S506-I509 PolarHBondContact O-N 2.69Å; S506-L510 VanDerWaalsContact O-CB 3.32Å; S506-L510 WeakPolarHBondContact O-CB 3.22Å; S506-L510 VanDerWaalsContact O-CG 3.23Å; S506-L510 WeakPolarHBondContact O-CG 3.48Å; S506-L510 PolarHBondContact O-N 3.44Å
507	A	94.1	Very high	90.8	Very high	42 Å²	42	68.7 Å²	68.7	35%	0.347	35%	0.352	S	S	.	.	H	α-helix	trans	-62.2	-36.5	177.5	0	0	0	0	0	113	P503 K511	P503-A507 VanDerWaalsContact O-CB 3.22Å; P503-A507 WeakPolarHBondContact O-CB 3.45Å; P503-A507 PolarHBondContact O-N 3.3Å; P503-A507 VanDerWaalsContact O-N 3.08Å; A507-K511 WeakPolarHBondContact O-CB 3.44Å; A507-K511 VanDerWaalsContact O-CG 3.22Å; A507-K511 WeakPolarHBondContact O-CG 3.48Å; A507-K511 PolarHBondContact O-N 2.71Å; A507-K511 VanDerWaalsContact O-N 3.12Å
508	F	93.2	Very high	90.6	Very high	32 Å²	32	66.6 Å²	66.6	14%	0.14	35%	0.346	C	S	.	.	H	α-helix	trans	-61.9	-52	177.2	170.8	-101.3	0	0	0	111.5	A467 K468 S504 A505 S506 K511 E512	A467-F508 HydrophobicContact CB-CE1 4.26Å; A467-F508 WeakPolarHBondContact O-CE1 3.27Å; K468-F508 HydrophobicContact CB-CD1 4.13Å; K468-F508 HydrophobicContact CB-CG 4.48Å; K468-F508 HydrophobicContact CD-CB 3.61Å; K468-F508 HydrophobicContact CD-CD1 4.15Å; K468-F508 HydrophobicContact CD-CD2 4.01Å; K468-F508 HydrophobicContact CD-CG 3.66Å; S504-F508 WeakPolarHBondContact O-CB 3.24Å; S504-F508 PolarHBondContact O-N 3.41Å; S504-F508 VanDerWaalsContact O-N 3.08Å; A505-F508 PolarHBondContact O-N 3.44Å; S506-F508 VanDerWaalsContact C-N 3.31Å; S506-F508 PolarHBondContact O-N 3.34Å; F508-K511 PolarHBondContact O-N 3.41Å; F508-E512 PolarHBondContact O-N 2.97Å
509	I	93.7	Very high	90.4	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-74.2	-32.7	-176.9	-165	65.5	0	0	0	113	V464 S476 L479 I483 W495 A505 S506 K511 E512 A513	V464-I509 HydrophobicContact CB-CG2 4.43Å; V464-I509 HydrophobicContact CG1-CB 3.99Å; V464-I509 HydrophobicContact CG1-CG2 3.56Å; V464-I509 HydrophobicContact CG2-CB 4.23Å; V464-I509 HydrophobicContact CG2-CG1 4.12Å; V464-I509 HydrophobicContact CG2-CG2 3.93Å; S476-I509 VanDerWaalsContact O-CD1 3.26Å; S476-I509 WeakPolarHBondContact O-CD1 3.33Å; L479-I509 HydrophobicContact CB-CD1 3.65Å; L479-I509 HydrophobicContact CB-CG1 4.15Å; L479-I509 HydrophobicContact CD1-CD1 4.45Å; I483-I509 HydrophobicContact CD1-CG1 3.69Å; I483-I509 HydrophobicContact CD1-CG2 3.97Å; W495-I509 HydrophobicContact CH2-CG2 3.7Å; W495-I509 HydrophobicContact CZ2-CG2 4.39Å; A505-I509 PolarHBondContact O-N 3.4Å; S506-I509 WeakPolarHBondContact O-CG2 3.31Å; S506-I509 PolarHBondContact O-N 2.69Å; I509-K511 VanDerWaalsContact C-N 3.33Å; I509-K511 PolarHBondContact O-N 3.05Å; I509-E512 HydrophobicContact CD1-CB 4.49Å; I509-E512 PolarHBondContact O-N 3.27Å; I509-A513 WeakPolarHBondContact O-CB 3.44Å; I509-A513 PolarHBondContact O-N 3.2Å
510	L	92.9	Very high	90.2	Very high	47 Å²	47	69.4 Å²	69.4	25%	0.246	36%	0.363	C	S	.	.	H	α-helix	trans	-68	-34	176.8	-71.9	174.9	0	0	0	111.8	L490 W495 S506 A513 I514	L490-L510 HydrophobicContact CD2-CD2 3.95Å; W495-L510 HydrophobicContact CZ2-CD1 4.29Å; W495-L510 HydrophobicContact CZ2-CD2 4.15Å; W495-L510 HydrophobicContact CZ2-CG 4.13Å; S506-L510 VanDerWaalsContact O-CB 3.32Å; S506-L510 WeakPolarHBondContact O-CB 3.22Å; S506-L510 VanDerWaalsContact O-CG 3.23Å; S506-L510 WeakPolarHBondContact O-CG 3.48Å; S506-L510 PolarHBondContact O-N 3.44Å; L510-A513 PolarHBondContact O-N 3.28Å; L510-I514 WeakPolarHBondContact O-CB 3.29Å; L510-I514 WeakPolarHBondContact O-CD1 3.25Å; L510-I514 WeakPolarHBondContact O-CG1 3.44Å; L510-I514 PolarHBondContact O-N 3.31Å
511	K	91	Very high	90	Very high	142 Å²	142	63.4 Å²	63.4	62%	0.617	35%	0.346	S	S	*	.	H	α-helix	trans	-62	-46.4	171.5	-77.7	174.2	-179.2	-176.2	0	111.4	A507 F508 I509 A513 I514 V515	A507-K511 WeakPolarHBondContact O-CB 3.44Å; A507-K511 VanDerWaalsContact O-CG 3.22Å; A507-K511 WeakPolarHBondContact O-CG 3.48Å; A507-K511 PolarHBondContact O-N 2.71Å; A507-K511 VanDerWaalsContact O-N 3.12Å; F508-K511 PolarHBondContact O-N 3.41Å; I509-K511 VanDerWaalsContact C-N 3.33Å; I509-K511 PolarHBondContact O-N 3.05Å; K511-A513 VanDerWaalsContact C-N 3.29Å; K511-A513 PolarHBondContact O-N 3.22Å; K511-I514 PolarHBondContact O-N 3.32Å; K511-V515 WeakPolarHBondContact O-CG2 3.42Å; K511-V515 PolarHBondContact O-N 3.17Å; K511-V515 VanDerWaalsContact O-N 3.09Å
512	E	87.8	Confident	89.7	Confident	58 Å²	58	60.8 Å²	60.8	27%	0.271	33%	0.332	S	S	.	.	H	α-helix	trans	-60.2	-39.5	174.8	-68.4	-63.6	139.1	0	0	111.9	F508 I509 V515 Q516	F508-E512 PolarHBondContact O-N 2.97Å; I509-E512 HydrophobicContact CD1-CB 4.49Å; I509-E512 PolarHBondContact O-N 3.27Å; E512-V515 PolarHBondContact O-N 3.2Å; E512-Q516 WeakPolarHBondContact O-CG 3.42Å; E512-Q516 PolarHBondContact O-N 2.98Å
513	A	89.3	Confident	89.5	Confident	5 Å²	5	61.8 Å²	61.8	4%	0.041	34%	0.338	C	S	.	.	H	α-helix	trans	-67.4	-40.8	176.6	0	0	0	0	0	113.1	I484 I509 L510 K511 V515 Q516 L517	I484-A513 HydrophobicContact CD1-CB 4.15Å; I484-A513 WeakPolarHBondContact CD1-O 3.31Å; I484-A513 HydrophobicContact CG1-CB 4.07Å; I509-A513 WeakPolarHBondContact O-CB 3.44Å; I509-A513 PolarHBondContact O-N 3.2Å; L510-A513 PolarHBondContact O-N 3.28Å; K511-A513 VanDerWaalsContact C-N 3.29Å; K511-A513 PolarHBondContact O-N 3.22Å; A513-V515 VanDerWaalsContact C-N 3.29Å; A513-V515 PolarHBondContact O-N 3.01Å; A513-Q516 PolarHBondContact O-N 3.02Å; A513-L517 PolarHBondContact O-N 2.83Å
514	I	89.6	Confident	89.2	Confident	115 Å²	115	60.6 Å²	60.6	59%	0.59	33%	0.326	S	S	*	.	H	α-helix	trans	-64.2	-36.4	176.8	-71	162.5	0	0	0	111.1	L510 K511 Q516 L517	L510-I514 WeakPolarHBondContact O-CB 3.29Å; L510-I514 WeakPolarHBondContact O-CD1 3.25Å; L510-I514 WeakPolarHBondContact O-CG1 3.44Å; L510-I514 PolarHBondContact O-N 3.31Å; K511-I514 PolarHBondContact O-N 3.32Å; I514-Q516 PolarHBondContact O-N 3.38Å; I514-L517 PolarHBondContact O-N 2.88Å
515	V	83.8	Confident	88.9	Confident	119 Å²	119	60.7 Å²	60.7	72%	0.721	32%	0.319	S	S	*	.	H	α-helix	trans	-67.4	-22.6	177.4	171.9	0	0	0	0	112.4	K511 E512 A513	K511-V515 WeakPolarHBondContact O-CG2 3.42Å; K511-V515 PolarHBondContact O-N 3.17Å; K511-V515 VanDerWaalsContact O-N 3.09Å; E512-V515 PolarHBondContact O-N 3.2Å; A513-V515 VanDerWaalsContact C-N 3.29Å; A513-V515 PolarHBondContact O-N 3.01Å
516	Q	78.1	Confident	88.5	Confident	68 Å²	68	65.8 Å²	65.8	32%	0.318	35%	0.346	S	S	.	.	H	α-helix	trans	-92.5	-15	179.8	-70.6	174.2	11.1	0	0	114.3	S480 N481 I484 E512 A513 I514	S480-Q516 PolarHBondContact OG-NE2 3.34Å; S480-Q516 PolarHBondContact OG-OE1 2.83Å; N481-Q516 PolarHBondContact ND2-OE1 3.08Å; N481-Q516 PolarHBondContact OD1-OE1 3.12Å; I484-Q516 HydrophobicContact CD1-CB 3.91Å; E512-Q516 WeakPolarHBondContact O-CG 3.42Å; E512-Q516 PolarHBondContact O-N 2.98Å; A513-Q516 PolarHBondContact O-N 3.02Å; I514-Q516 PolarHBondContact O-N 3.38Å
517	L	74.8	Confident	88	Confident	152 Å²	152	70.9 Å²	70.9	80%	0.796	37%	0.372	S	S	*	.			trans	-82.8	0	173.7	-75.2	172.9	0	0	0	110.4	I484 A513 I514	I484-L517 HydrophobicContact CD1-CD2 4.35Å; I484-L517 HydrophobicContact CD1-CG 4.1Å; I484-L517 HydrophobicContact CG1-CD2 4.28Å; I484-L517 HydrophobicContact CG1-CG 4.2Å; I484-L517 HydrophobicContact CG2-CD2 3.75Å; A513-L517 PolarHBondContact O-N 2.83Å; I514-L517 PolarHBondContact O-N 2.88Å

Retrieved 517 of 517 residues in 920.1 ms (Link to these results)

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