A0A087X318_POEFO Loading...

Glutamate receptor, ionotropic, AMPA 1a

AlphaFold DB , UniProt , Accession A0A087X318, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 633 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	49	Very low	45.4	Very low	243 Å²	243	151.5 Å²	151.5	100%	1.197	75%	0.753	S	S	*	*				0	92	0	-60.7	168.5	-167.9	0	0	108.6
2	Q	42.2	Very low	45.3	Very low	193 Å²	193	148.3 Å²	148.3	90%	0.902	74%	0.739	S	S	*	*			trans	-158.6	26.9	-173.1	-133.3	167.9	2.6	0	0	116.1
3	R	42.8	Very low	44.9	Very low	229 Å²	229	146.4 Å²	146.4	86%	0.864	73%	0.733	S	S	*	*	S	Bend	trans	-130.6	3.5	175.1	-84.3	-170.6	170.2	-171.6	-3.3	115.3
4	S	47	Very low	44.5	Very low	102 Å²	102	140.2 Å²	140.2	71%	0.713	72%	0.724	S	S	*	*	S	Bend	trans	-102.2	-10	-175.2	-47.4	0	0	0	0	114.5
5	F	47.6	Very low	44.3	Very low	186 Å²	186	139.9 Å²	139.9	82%	0.816	72%	0.722	S	S	*	*	S	Bend	trans	-90	-22.8	-175.8	-101.8	-88.8	0	0	0	114.3	L7	F5-L7 VanDerWaalsContact C-N 3.35Å; F5-L7 PolarHBondContact O-N 3.25Å
6	T	47.3	Very low	43.8	Very low	110 Å²	110	138.3 Å²	138.3	68%	0.675	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-14	-175.2	7.2	0	0	0	0	114.7
7	L	46.3	Very low	43.4	Very low	139 Å²	139	139.1 Å²	139.1	73%	0.728	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-8.4	178.9	-85.8	161.9	0	0	0	114.1	F5	F5-L7 VanDerWaalsContact C-N 3.35Å; F5-L7 PolarHBondContact O-N 3.25Å
8	L	45.9	Very low	43	Very low	117 Å²	117	134.9 Å²	134.9	61%	0.613	73%	0.726	S	S	*	*	S	Bend	trans	-99.3	-13.5	-177.4	-119.1	159.6	0	0	0	113.4	S11	L8-S11 PolarHBondContact O-OG 3.22Å
9	Y	41.4	Very low	42.7	Very low	184 Å²	184	134.3 Å²	134.3	72%	0.722	73%	0.733	S	S	*	*	H	α-helix	trans	-93	-22.6	177.9	-123	-88.6	0	0	0	113.5	L13	Y9-L13 HydrophobicContact CD1-CD1 4.36Å
10	T	46.3	Very low	42.5	Very low	103 Å²	103	131.2 Å²	131.2	63%	0.632	73%	0.734	S	S	*	*	H	α-helix	trans	-82.9	-21.2	177.7	47.4	0	0	0	0	113.4
11	S	44	Very low	42.8	Very low	61 Å²	61	127.8 Å²	127.8	43%	0.427	72%	0.719	S	S	.	*	H	α-helix	trans	-79.5	-32.5	173.9	53.6	0	0	0	0	113.1	L8	L8-S11 PolarHBondContact O-OG 3.22Å
12	L	43.3	Very low	43.4	Very low	112 Å²	112	121.5 Å²	121.5	59%	0.586	70%	0.698	S	S	*	*	H	α-helix	trans	-74.3	-38.2	-179	-115.8	73.6	0	0	0	113.5	G14 I15	L12-G14 PolarHBondContact O-N 3.17Å; L12-I15 PolarHBondContact O-N 3.41Å
13	L	40.5	Very low	44.8	Very low	124 Å²	124	113.4 Å²	113.4	65%	0.649	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-24.3	177.6	-102.2	88.9	0	0	0	113.3	Y9 I15	Y9-L13 HydrophobicContact CD1-CD1 4.36Å; L13-I15 PolarHBondContact O-N 3.17Å
14	G	39.5	Very low	46.3	Very low	60 Å²	60	103.5 Å²	103.5	62%	0.619	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-11.6	176.8	0	0	0	0	0	114.8	L12	L12-G14 PolarHBondContact O-N 3.17Å
15	I	41.5	Very low	47.8	Very low	135 Å²	135	102.3 Å²	102.3	69%	0.692	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	-18.6	-173.2	-61.3	173.8	0	0	0	111.8	L12 L13	L12-I15 PolarHBondContact O-N 3.41Å; L13-I15 PolarHBondContact O-N 3.17Å
16	C	36	Very low	49.7	Very low	115 Å²	115	97.7 Å²	97.7	78%	0.777	60%	0.601	S	S	*	*	S	Bend	trans	-85.3	-12.6	178.8	-64.4	0	0	0	0	114.4	G18	C16-G18 PolarHBondContact O-N 2.75Å
17	L	37.7	Very low	51.7	Low	151 Å²	151	92.5 Å²	92.5	79%	0.791	57%	0.569	S	S	*	*	S	Bend	trans	-80.8	66	163.5	-72.5	176.7	0	0	0	109.7	S19	L17-S19 PolarHBondContact O-N 3.12Å
18	G	35	Very low	53.8	Low	64 Å²	64	88.3 Å²	88.3	66%	0.66	55%	0.548	S	S	*	.			trans	-53.8	127.2	173.1	0	0	0	0	0	110	C16 G20	C16-G18 PolarHBondContact O-N 2.75Å; G18-G20 VanDerWaalsContact C-N 3.26Å; G18-G20 PolarHBondContact O-N 2.8Å
19	S	38.8	Very low	56.1	Low	124 Å²	124	82.8 Å²	82.8	87%	0.867	52%	0.518	S	S	*	.			trans	-69.6	78.7	-171.3	-49.4	0	0	0	0	111.9	L17 S21	L17-S19 PolarHBondContact O-N 3.12Å; S19-S21 PolarHBondContact O-N 3.33Å
20	G	38.3	Very low	58.6	Low	72 Å²	72	74 Å²	74	74%	0.742	48%	0.484	S	S	*	.			trans	-61.9	97.1	169.3	0	0	0	0	0	109.2	G18 S22	G18-G20 VanDerWaalsContact C-N 3.26Å; G18-G20 PolarHBondContact O-N 2.8Å; G20-S22 PolarHBondContact O-N 3.08Å
21	S	48.9	Very low	60.9	Low	60 Å²	60	69.1 Å²	69.1	42%	0.42	45%	0.454	S	S	.	.			trans	-57.3	96.8	175.7	47.7	0	0	0	0	109.2	S19 F23 D313	S19-S21 PolarHBondContact O-N 3.33Å; S21-F23 PolarHBondContact O-N 3.47Å; S21-D313 WeakPolarHBondContact CB-OD2 3.31Å
22	S	61.6	Low	63.3	Low	110 Å²	110	66.2 Å²	66.2	77%	0.769	43%	0.434	S	S	*	.			trans	-63.3	113.7	-178.5	179.7	0	0	0	0	108.8	G20	G20-S22 PolarHBondContact O-N 3.08Å
23	F	70.6	Confident	65.6	Low	23 Å²	23	60.9 Å²	60.9	10%	0.101	41%	0.406	C	S	.	.			trans	-49	132.5	175	-171.7	-80.1	0	0	0	110.1	S21 S25 I27 P54 F304 L307 R308 I312 I314	S21-F23 PolarHBondContact O-N 3.47Å; F23-S25 PolarHBondContact O-N 2.9Å; F23-I27 HydrophobicContact CE1-CD1 3.96Å; F23-I27 HydrophobicContact CZ-CD1 4.16Å; F23-P54 HydrophobicContact CD1-CB 4.5Å; F23-P54 HydrophobicContact CE1-CB 3.87Å; F23-P54 HydrophobicContact CE1-CG 3.82Å; F23-F304 WeakPolarHBondContact CZ-O 3.13Å; F23-L307 HydrophobicContact CE2-CB 3.87Å; F23-L307 HydrophobicContact CZ-CB 4.19Å; F23-R308 HydrophobicContact CB-CG 4.22Å; F23-R308 HydrophobicContact CD1-CB 3.77Å; F23-R308 HydrophobicContact CD1-CG 3.64Å; F23-R308 HydrophobicContact CD2-CB 4.06Å; F23-R308 HydrophobicContact CD2-CG 4.36Å; F23-R308 HydrophobicContact CE1-CB 3.73Å; F23-R308 HydrophobicContact CE1-CG 4.09Å; F23-R308 HydrophobicContact CE2-CB 4.01Å; F23-R308 HydrophobicContact CG-CB 3.95Å; F23-R308 HydrophobicContact CG-CG 3.8Å; F23-R308 HydrophobicContact CZ-CB 3.84Å; F23-I312 VanDerWaalsContact CD2-O 3.31Å; F23-I312 WeakPolarHBondContact CD2-O 3.17Å; F23-I312 WeakPolarHBondContact CE2-O 3.21Å; F23-I314 HydrophobicContact CD2-CG1 4.41Å; F23-I314 HydrophobicContact CE1-CD1 4.23Å; F23-I314 HydrophobicContact CE2-CD1 3.77Å; F23-I314 HydrophobicContact CE2-CG1 3.8Å; F23-I314 HydrophobicContact CE2-CG2 4.49Å; F23-I314 HydrophobicContact CZ-CD1 3.47Å; F23-I314 VanDerWaalsContact CZ-CD1 3.47Å; F23-I314 HydrophobicContact CZ-CG1 3.99Å
24	P	75.8	Confident	67.9	Low	22 Å²	22	56.4 Å²	56.4	14%	0.143	38%	0.384	C	S	.	.			trans	-60	131.2	-171.3	22.6	-33.6	0	0	0	112.1	I27 I314	P24-I27 HydrophobicContact CG-CG1 4.27Å; P24-I314 HydrophobicContact CG-CD1 3.99Å; P24-I314 HydrophobicContact CG-CG1 3.78Å
25	S	77.8	Confident	69.9	Low	76 Å²	76	59.1 Å²	59.1	53%	0.531	39%	0.385	S	S	.	.	S	Bend	trans	-72.4	-31.7	179.5	49.6	0	0	0	0	112.9	F23 P54 K55	F23-S25 PolarHBondContact O-N 2.9Å; S25-P54 CarbonylContact O-C 3.6Å; S25-P54 WeakPolarHBondContact O-CA 3.45Å; S25-K55 PolarHBondContact O-N 3.43Å
26	N	86.9	Confident	71.6	Confident	90 Å²	90	57.7 Å²	57.7	48%	0.481	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	136.5	174.4	-64.9	-23	0	0	0	109.1	K55 V57	N26-K55 CarbonylContact C-O 2.95Å; N26-K55 WeakPolarHBondContact CA-O 3.3Å; N26-V57 HydrophobicContact CB-CG2 3.97Å
27	I	88.9	Confident	73.8	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	118.1	178.4	-67.4	178.4	0	0	0	109.3	F23 P24 I29 P54 K55 L56 V57 Y84 F304 I314	F23-I27 HydrophobicContact CE1-CD1 3.96Å; F23-I27 HydrophobicContact CZ-CD1 4.16Å; P24-I27 HydrophobicContact CG-CG1 4.27Å; I27-I29 HydrophobicContact CG2-CG2 4.14Å; I27-I29 PolarHBondContact O-N 2.98Å; I27-P54 HydrophobicContact CD1-CB 3.61Å; I27-P54 HydrophobicContact CD1-CG 3.63Å; I27-P54 HydrophobicContact CG1-CB 4Å; I27-K55 PolarHBondContact N-O 3.1Å; I27-L56 HydrophobicContact CB-CD2 4.38Å; I27-V57 PolarHBondContact O-N 3.46Å; I27-Y84 HydrophobicContact CG2-CD1 4.37Å; I27-Y84 HydrophobicContact CG2-CD2 3.93Å; I27-Y84 HydrophobicContact CG2-CG 3.74Å; I27-F304 HydrophobicContact CD1-CB 3.62Å; I27-F304 HydrophobicContact CD1-CD1 3.58Å; I27-F304 HydrophobicContact CD1-CD2 4.14Å; I27-F304 HydrophobicContact CD1-CE1 4.26Å; I27-F304 HydrophobicContact CD1-CG 3.52Å; I27-F304 HydrophobicContact CG2-CD1 4.42Å; I27-F304 HydrophobicContact CG2-CD2 4.23Å; I27-F304 HydrophobicContact CG2-CE1 4.15Å; I27-F304 HydrophobicContact CG2-CE2 3.95Å; I27-F304 HydrophobicContact CG2-CG 4.47Å; I27-F304 HydrophobicContact CG2-CZ 3.91Å; I27-I314 HydrophobicContact CD1-CD1 3.88Å; I27-I314 HydrophobicContact CG1-CD1 4.5Å
28	N	91.1	Very high	76	Confident	52 Å²	52	46.1 Å²	46.1	28%	0.278	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	122.1	178.8	-64.4	2.5	0	0	0	109.6	V57 V83 Y84	N28-V57 CarbonylContact C-O 3.55Å; N28-V57 WeakPolarHBondContact CA-O 3.46Å; N28-V83 HydrophobicContact CB-CG1 4.44Å; N28-V83 CarbonylContact O-C 3.58Å; N28-V83 WeakPolarHBondContact O-CA 2.93Å; N28-Y84 HydrophobicContact CB-CD2 4.29Å; N28-Y84 WeakPolarHBondContact O-CD2 3.45Å; N28-Y84 PolarHBondContact O-N 3.18Å
29	I	93.9	Very high	78.6	Confident	0 Å²	0	44 Å²	44	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	143.5	176.5	65	169.8	0	0	0	110.5	I27 F43 L47 L56 V57 S58 H59 A85 M300 F304	I27-I29 HydrophobicContact CG2-CG2 4.14Å; I27-I29 PolarHBondContact O-N 2.98Å; I29-F43 HydrophobicContact CD1-CE2 3.99Å; I29-F43 HydrophobicContact CD1-CZ 3.93Å; I29-L47 HydrophobicContact CD1-CD2 4.22Å; I29-L56 HydrophobicContact CD1-CB 4.13Å; I29-L56 HydrophobicContact CD1-CD1 4.31Å; I29-L56 HydrophobicContact CG2-CD2 4.23Å; I29-V57 PolarHBondContact N-O 3.27Å; I29-S58 CarbonylContact O-C 3.59Å; I29-S58 WeakPolarHBondContact O-CA 3.25Å; I29-H59 PolarHBondContact O-N 3.23Å; I29-A85 CarbonylContact C-O 3.57Å; I29-A85 WeakPolarHBondContact CA-O 3.32Å; I29-M300 HydrophobicContact CB-CE 3.97Å; I29-M300 HydrophobicContact CD1-CE 3.88Å; I29-M300 HydrophobicContact CG2-CE 3.74Å; I29-F304 HydrophobicContact CG2-CE2 4.31Å
30	G	93.9	Very high	81.1	Confident	0 Å²	0	41 Å²	41	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	143.9	174.5	0	0	0	0	0	111.6	H59 A85 I86 I87	G30-H59 CarbonylContact C-O 3.6Å; G30-H59 WeakPolarHBondContact CA-O 3.26Å; G30-A85 PolarHBondContact N-O 3.49Å; G30-I86 CarbonylContact O-C 3.53Å; G30-I86 WeakPolarHBondContact O-CA 3.47Å; G30-I87 PolarHBondContact O-N 3.18Å
31	G	94.2	Very high	83.5	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.4	167.9	0	0	0	0	0	110.6	H59 V60 D61 I87	G31-H59 PolarHBondContact N-O 3.29Å; G31-V60 WeakPolarHBondContact O-CA 3.4Å; G31-D61 PolarHBondContact O-N 2.89Å; G31-I87 VanDerWaalsContact CA-O 3.32Å; G31-I87 WeakPolarHBondContact CA-O 3.43Å
32	L	94.4	Very high	85.4	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	105.8	173.8	-60.9	-173.9	0	0	0	109.7	D61 V63 M71 A74 Q78 I86 I87 G88 L89 F109	L32-D61 HydrophobicContact CD2-CB 4.18Å; L32-V63 HydrophobicContact CB-CG2 4.32Å; L32-V63 HydrophobicContact CD2-CG2 4.01Å; L32-M71 HydrophobicContact CD1-SD 3.79Å; L32-A74 HydrophobicContact CD2-CB 3.76Å; L32-Q78 HydrophobicContact CD2-CG 3.89Å; L32-I86 HydrophobicContact CD1-CG2 4.02Å; L32-I86 HydrophobicContact CG-CG2 3.83Å; L32-I87 PolarHBondContact N-O 3.22Å; L32-G88 WeakPolarHBondContact O-CA 3.4Å; L32-L89 PolarHBondContact O-N 3.2Å; L32-F109 HydrophobicContact CD1-CE2 4.24Å
33	F	92.6	Very high	86.9	Confident	1 Å²	1	30.9 Å²	30.9	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	155.4	-173.4	-66	-82.8	0	0	0	112.4	E39 Y40 F43 V60 M62 V63 I87 T293	F33-E39 HydrophobicContact CD1-CB 4.14Å; F33-E39 HydrophobicContact CE1-CB 3.95Å; F33-Y40 HydrophobicContact CD2-CD2 4.11Å; F33-Y40 HydrophobicContact CG-CD2 4.45Å; F33-F43 HydrophobicContact CE1-CB 4.46Å; F33-F43 HydrophobicContact CE2-CB 4.26Å; F33-F43 AromaticContact CE2-CD1 3.69Å; F33-F43 HydrophobicContact CE2-CD1 3.69Å; F33-F43 HydrophobicContact CE2-CD2 4.46Å; F33-F43 HydrophobicContact CE2-CE1 4.08Å; F33-F43 AromaticContact CE2-CG 3.89Å; F33-F43 HydrophobicContact CE2-CG 3.89Å; F33-F43 HydrophobicContact CZ-CB 3.78Å; F33-F43 HydrophobicContact CZ-CD1 4.05Å; F33-F43 HydrophobicContact CZ-CD2 4.18Å; F33-F43 AromaticContact CZ-CG 3.75Å; F33-F43 HydrophobicContact CZ-CG 3.75Å; F33-V60 HydrophobicContact CD2-CG1 3.99Å; F33-M62 HydrophobicContact CB-SD 4.28Å; F33-M62 CarbonylContact O-C 3.59Å; F33-M62 WeakPolarHBondContact O-CA 3.35Å; F33-V63 PolarHBondContact O-N 3.38Å; F33-I87 HydrophobicContact CZ-CG2 4.45Å; F33-T293 HydrophobicContact CE1-CG2 4.23Å; F33-T293 HydrophobicContact CZ-CG2 4.31Å
34	P	89.6	Confident	87.8	Confident	29 Å²	29	34 Å²	34	19%	0.188	18%	0.182	C	C	.	.			trans	-61.9	152.3	168.3	-15.6	24.7	0	0	0	112.9	V36 M65 L89	P34-V36 PolarHBondContact O-N 2.88Å; P34-M65 HydrophobicContact CB-CG 4.31Å; P34-M65 HydrophobicContact CB-SD 4.47Å; P34-M65 HydrophobicContact CG-CG 3.75Å; P34-M65 HydrophobicContact CG-SD 3.88Å; P34-L89 HydrophobicContact CG-CD1 4.1Å
35	N	79.7	Confident	88.5	Confident	118 Å²	118	33 Å²	33	63%	0.631	18%	0.175	S	C	*	.	S	Bend	trans	-51.8	-28.3	175.4	-72.9	-18	0	0	0	114.7	M62	N35-M62 VanDerWaalsContact OD1-CB 3.3Å; N35-M62 WeakPolarHBondContact OD1-CB 3.33Å
36	V	78.4	Confident	89.1	Confident	104 Å²	104	29.4 Å²	29.4	63%	0.63	15%	0.15	S	C	*	.	S	Bend	trans	-134.9	110.8	173.6	-178.8	0	0	0	0	106.3	P34 M281	P34-V36 PolarHBondContact O-N 2.88Å; V36-M281 HydrophobicContact CG1-CE 4.44Å; V36-M281 HydrophobicContact CG1-CG 4.21Å; V36-M281 HydrophobicContact CG1-SD 3.59Å; V36-M281 VanDerWaalsContact CG1-SD 3.59Å
37	S	82.1	Confident	89.3	Confident	10 Å²	10	26.3 Å²	26.3	7%	0.07	13%	0.133	C	C	.	.			trans	-153.8	130.1	-174.3	163.4	0	0	0	0	110	E39 Y40	S37-E39 VanDerWaalsContact C-N 3.26Å; S37-E39 WeakPolarHBondContact OG-CB 3.22Å; S37-E39 PolarHBondContact OG-N 3.23Å; S37-E39 PolarHBondContact OG-OE2 3.03Å; S37-Y40 PolarHBondContact O-N 3.21Å; S37-Y40 PolarHBondContact OG-N 3.08Å
38	H	84.6	Confident	89.3	Confident	13 Å²	13	28.4 Å²	28.4	6%	0.06	15%	0.148	C	C	.	.	H	α-helix	trans	-66.8	-33.1	172.9	164.2	-97	0	0	0	110.7	Y40 E41 V42 W271 K287	H38-Y40 VanDerWaalsContact C-N 3.33Å; H38-Y40 PolarHBondContact O-N 3.48Å; H38-E41 PolarHBondContact O-N 3.35Å; H38-V42 WeakPolarHBondContact O-CG2 3.32Å; H38-V42 PolarHBondContact O-N 3.18Å; H38-W271 AromaticContact CD2-CZ2 3.93Å; H38-W271 AromaticContact NE2-CZ2 3.85Å; H38-K287 PolarHBondContact CE1-N 3.26Å; H38-K287 VanDerWaalsContact CE1-N 3.33Å
39	E	88.9	Confident	88.9	Confident	21 Å²	21	29.2 Å²	29.2	10%	0.098	15%	0.15	C	C	.	.	H	α-helix	trans	-63.5	-37.2	178.5	-57.8	62.1	-133.1	0	0	111.2	F33 S37 V42 F43 L89 M289 T293	F33-E39 HydrophobicContact CD1-CB 4.14Å; F33-E39 HydrophobicContact CE1-CB 3.95Å; S37-E39 VanDerWaalsContact C-N 3.26Å; S37-E39 WeakPolarHBondContact OG-CB 3.22Å; S37-E39 PolarHBondContact OG-N 3.23Å; S37-E39 PolarHBondContact OG-OE2 3.03Å; E39-V42 PolarHBondContact O-N 3.14Å; E39-F43 VanDerWaalsContact O-CB 3.22Å; E39-F43 WeakPolarHBondContact O-CB 3.24Å; E39-F43 PolarHBondContact O-N 2.97Å; E39-L89 HydrophobicContact CG-CD1 4.25Å; E39-M289 HydrophobicContact CG-CB 4.14Å; E39-T293 HydrophobicContact CB-CG2 4.39Å
40	Y	90.5	Very high	88.4	Confident	60 Å²	60	30.5 Å²	30.5	24%	0.235	16%	0.156	C	C	.	.	H	α-helix	trans	-64.8	-40	173.2	170	-116.2	0	0	0	112.9	F33 S37 H38 F43 R44 V60 M62	F33-Y40 HydrophobicContact CD2-CD2 4.11Å; F33-Y40 HydrophobicContact CG-CD2 4.45Å; S37-Y40 PolarHBondContact O-N 3.21Å; S37-Y40 PolarHBondContact OG-N 3.08Å; H38-Y40 VanDerWaalsContact C-N 3.33Å; H38-Y40 PolarHBondContact O-N 3.48Å; Y40-F43 HydrophobicContact CD2-CD1 4.48Å; Y40-F43 WeakPolarHBondContact O-CB 3.48Å; Y40-F43 PolarHBondContact O-N 2.86Å; Y40-R44 HydrophobicContact CE2-CG 4.16Å; Y40-R44 PolarHBondContact O-N 2.79Å; Y40-R44 VanDerWaalsContact O-N 3.08Å; Y40-V60 HydrophobicContact CD2-CG1 4.06Å; Y40-V60 HydrophobicContact CE2-CB 4.24Å; Y40-V60 HydrophobicContact CE2-CG1 3.88Å; Y40-V60 HydrophobicContact CE2-CG2 4.04Å; Y40-M62 HydrophobicContact CD1-CE 3.75Å; Y40-M62 HydrophobicContact CD2-CE 3.95Å; Y40-M62 HydrophobicContact CE1-CE 3.54Å; Y40-M62 HydrophobicContact CE2-CE 3.77Å; Y40-M62 HydrophobicContact CG-CE 3.94Å
41	E	88.3	Confident	87.6	Confident	30 Å²	30	35.4 Å²	35.4	14%	0.14	18%	0.179	C	C	.	.	H	α-helix	trans	-69.2	-41.6	177.2	-61.4	-163.6	132.1	0	0	111.4	H38 F43 R44 F45 W271 N276 S279	H38-E41 PolarHBondContact O-N 3.35Å; E41-F43 VanDerWaalsContact C-N 3.31Å; E41-F43 PolarHBondContact O-N 3.17Å; E41-R44 PolarHBondContact O-N 2.82Å; E41-F45 PolarHBondContact O-N 2.9Å; E41-W271 HydrophobicContact CB-CH2 3.83Å; E41-W271 HydrophobicContact CB-CZ3 4.44Å; E41-N276 PolarHBondContact OE1-ND2 3.38Å; E41-S279 WeakPolarHBondContact OE1-CB 3.26Å; E41-S279 PolarHBondContact OE1-OG 2.88Å
42	V	90.4	Very high	86.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.1	-33.3	173.9	179.3	0	0	0	0	111.7	H38 E39 F45 A46 W271 L286 G290	H38-V42 WeakPolarHBondContact O-CG2 3.32Å; H38-V42 PolarHBondContact O-N 3.18Å; E39-V42 PolarHBondContact O-N 3.14Å; V42-F45 WeakPolarHBondContact O-CB 3.13Å; V42-F45 PolarHBondContact O-N 2.85Å; V42-A46 WeakPolarHBondContact O-CB 3.28Å; V42-A46 PolarHBondContact O-N 3.25Å; V42-W271 HydrophobicContact CB-CZ3 4.35Å; V42-W271 HydrophobicContact CG2-CD2 4.48Å; V42-W271 HydrophobicContact CG2-CE3 4.17Å; V42-W271 HydrophobicContact CG2-CH2 3.54Å; V42-W271 HydrophobicContact CG2-CZ2 3.87Å; V42-W271 HydrophobicContact CG2-CZ3 3.71Å; V42-L286 HydrophobicContact CB-CD1 4.41Å; V42-L286 HydrophobicContact CG1-CD1 3.97Å; V42-L286 HydrophobicContact CG2-CD1 3.47Å; V42-L286 VanDerWaalsContact CG2-CD1 3.47Å; V42-G290 VanDerWaalsContact CG1-O 3.25Å; V42-G290 WeakPolarHBondContact CG1-O 3.45Å
43	F	92.3	Very high	85.9	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-44.5	171.8	173.9	-110.9	0	0	0	112	I29 F33 E39 Y40 E41 F45 A46 L47 V60 I87 T293 V297	I29-F43 HydrophobicContact CD1-CE2 3.99Å; I29-F43 HydrophobicContact CD1-CZ 3.93Å; F33-F43 HydrophobicContact CE1-CB 4.46Å; F33-F43 HydrophobicContact CE2-CB 4.26Å; F33-F43 AromaticContact CE2-CD1 3.69Å; F33-F43 HydrophobicContact CE2-CD1 3.69Å; F33-F43 HydrophobicContact CE2-CD2 4.46Å; F33-F43 HydrophobicContact CE2-CE1 4.08Å; F33-F43 AromaticContact CE2-CG 3.89Å; F33-F43 HydrophobicContact CE2-CG 3.89Å; F33-F43 HydrophobicContact CZ-CB 3.78Å; F33-F43 HydrophobicContact CZ-CD1 4.05Å; F33-F43 HydrophobicContact CZ-CD2 4.18Å; F33-F43 AromaticContact CZ-CG 3.75Å; F33-F43 HydrophobicContact CZ-CG 3.75Å; E39-F43 VanDerWaalsContact O-CB 3.22Å; E39-F43 WeakPolarHBondContact O-CB 3.24Å; E39-F43 PolarHBondContact O-N 2.97Å; Y40-F43 HydrophobicContact CD2-CD1 4.48Å; Y40-F43 WeakPolarHBondContact O-CB 3.48Å; Y40-F43 PolarHBondContact O-N 2.86Å; E41-F43 VanDerWaalsContact C-N 3.31Å; E41-F43 PolarHBondContact O-N 3.17Å; F43-F45 VanDerWaalsContact C-N 3.32Å; F43-F45 PolarHBondContact O-N 3.38Å; F43-A46 PolarHBondContact O-N 3.29Å; F43-L47 HydrophobicContact CD1-CD1 4.11Å; F43-L47 HydrophobicContact CD2-CD1 4.35Å; F43-L47 HydrophobicContact CE1-CD1 3.67Å; F43-L47 HydrophobicContact CE2-CD1 3.91Å; F43-L47 HydrophobicContact CE2-CG 4.26Å; F43-L47 HydrophobicContact CG-CD1 4.44Å; F43-L47 HydrophobicContact CZ-CD1 3.58Å; F43-L47 HydrophobicContact CZ-CG 4.4Å; F43-L47 WeakPolarHBondContact O-CG 3.37Å; F43-L47 PolarHBondContact O-N 3Å; F43-L47 VanDerWaalsContact O-N 3.09Å; F43-V60 HydrophobicContact CD1-CG2 4.31Å; F43-V60 HydrophobicContact CE1-CG2 3.69Å; F43-I87 HydrophobicContact CD2-CG2 3.94Å; F43-I87 HydrophobicContact CE2-CG2 3.4Å; F43-I87 HydrophobicContact CZ-CG2 3.9Å; F43-T293 HydrophobicContact CB-CG2 3.99Å; F43-V297 HydrophobicContact CD2-CG2 3.44Å; F43-V297 VanDerWaalsContact CD2-CG2 3.44Å; F43-V297 HydrophobicContact CE2-CG2 3.74Å
44	R	89.8	Confident	85.5	Confident	88 Å²	88	44.4 Å²	44.4	33%	0.332	23%	0.226	S	C	.	.	H	α-helix	trans	-60.3	-40	172.2	-70.8	179.2	74.1	179.2	3	111.9	Y40 E41 S48 D278	Y40-R44 HydrophobicContact CE2-CG 4.16Å; Y40-R44 PolarHBondContact O-N 2.79Å; Y40-R44 VanDerWaalsContact O-N 3.08Å; E41-R44 PolarHBondContact O-N 2.82Å; R44-S48 PolarHBondContact O-N 3.36Å; R44-D278 IonicContact CZ-OD2 2.79Å; R44-D278 IonicContact NH1-OD2 3.83Å; R44-D278 PolarHBondContact NH1-OD2 3.33Å; R44-D278 IonicContact NH2-OD2 2.8Å; R44-D278 PolarHBondContact NH2-OD2 3.39Å
45	F	89.9	Confident	85.4	Confident	1 Å²	1	46.9 Å²	46.9	0%	0.004	23%	0.234	C	C	.	.	H	α-helix	trans	-67.6	-40	177	170.5	-99.8	0	0	0	113.1	E41 V42 F43 S48 H49 I267 Q270 W271 F274 Y294	E41-F45 PolarHBondContact O-N 2.9Å; V42-F45 WeakPolarHBondContact O-CB 3.13Å; V42-F45 PolarHBondContact O-N 2.85Å; F43-F45 VanDerWaalsContact C-N 3.32Å; F43-F45 PolarHBondContact O-N 3.38Å; F45-S48 PolarHBondContact O-N 3.12Å; F45-S48 PolarHBondContact O-OG 3.45Å; F45-H49 AromaticContact CD2-CE1 3.7Å; F45-H49 AromaticContact CE2-CE1 3.21Å; F45-H49 WeakPolarHBondContact CE2-CE1 3.31Å; F45-H49 AromaticContact CE2-ND1 3.89Å; F45-H49 AromaticContact CZ-CE1 3.49Å; F45-H49 VanDerWaalsContact CZ-CE1 3.49Å; F45-H49 WeakPolarHBondContact CZ-CE1 3.39Å; F45-H49 AromaticContact CZ-NE2 3.96Å; F45-H49 PolarHBondContact O-N 3.33Å; F45-H49 PolarHBondContact O-ND1 2.84Å; F45-I267 HydrophobicContact CE1-CG2 3.96Å; F45-I267 HydrophobicContact CZ-CG2 4.21Å; F45-Q270 HydrophobicContact CE2-CB 4.29Å; F45-Q270 HydrophobicContact CZ-CB 4.1Å; F45-W271 HydrophobicContact CB-CE3 3.93Å; F45-W271 HydrophobicContact CB-CZ3 3.88Å; F45-W271 AromaticContact CD1-CE3 3.98Å; F45-W271 HydrophobicContact CD1-CE3 3.98Å; F45-W271 HydrophobicContact CD2-CE3 4.05Å; F45-W271 HydrophobicContact CE1-CB 4.19Å; F45-W271 HydrophobicContact CE1-CE3 4.49Å; F45-W271 HydrophobicContact CE2-CB 4.24Å; F45-W271 AromaticContact CG-CE3 3.74Å; F45-W271 HydrophobicContact CG-CE3 3.74Å; F45-W271 HydrophobicContact CG-CZ3 4.22Å; F45-W271 HydrophobicContact CZ-CB 3.9Å; F45-F274 HydrophobicContact CB-CD1 4.19Å; F45-F274 HydrophobicContact CB-CE1 4.05Å; F45-F274 HydrophobicContact CB-CZ 4.45Å; F45-F274 HydrophobicContact CD2-CB 3.85Å; F45-F274 AromaticContact CD2-CD1 3.93Å; F45-F274 HydrophobicContact CD2-CD1 3.93Å; F45-F274 AromaticContact CD2-CD2 3.88Å; F45-F274 HydrophobicContact CD2-CD2 3.88Å; F45-F274 HydrophobicContact CD2-CE1 4.43Å; F45-F274 HydrophobicContact CD2-CE2 4.39Å; F45-F274 AromaticContact CD2-CG 3.63Å; F45-F274 HydrophobicContact CD2-CG 3.63Å; F45-F274 HydrophobicContact CE2-CB 4.07Å; F45-F274 HydrophobicContact CE2-CG 4.3Å; F45-Y294 AromaticContact CD1-CD2 3.79Å; F45-Y294 HydrophobicContact CD1-CD2 3.79Å; F45-Y294 AromaticContact CD1-CE2 3.86Å; F45-Y294 HydrophobicContact CD1-CE2 3.86Å; F45-Y294 AromaticContact CE1-CD2 3.88Å; F45-Y294 HydrophobicContact CE1-CD2 3.88Å; F45-Y294 AromaticContact CE1-CE2 3.62Å; F45-Y294 HydrophobicContact CE1-CE2 3.62Å
46	A	91.3	Very high	85.9	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.8	-38.9	176.5	0	0	0	0	0	112	V42 F43 S48 H49 H50 Y294 V297	V42-A46 WeakPolarHBondContact O-CB 3.28Å; V42-A46 PolarHBondContact O-N 3.25Å; F43-A46 PolarHBondContact O-N 3.29Å; A46-S48 VanDerWaalsContact C-N 3.34Å; A46-S48 PolarHBondContact O-N 3Å; A46-H49 PolarHBondContact O-N 3.4Å; A46-H50 PolarHBondContact O-CD2 2.88Å; A46-H50 PolarHBondContact O-N 2.98Å; A46-Y294 HydrophobicContact CB-CD2 3.53Å; A46-Y294 HydrophobicContact CB-CE2 4.09Å; A46-Y294 HydrophobicContact CB-CG 4.12Å; A46-V297 HydrophobicContact CB-CB 3.76Å; A46-V297 HydrophobicContact CB-CG1 3.96Å; A46-V297 HydrophobicContact CB-CG2 3.89Å
47	L	90.5	Very high	86.5	Confident	25 Å²	25	39.2 Å²	39.2	13%	0.131	19%	0.191	C	C	.	.	H	α-helix	trans	-68.3	-28	175.4	-70.9	171.1	0	0	0	113.8	I29 F43 H49 L56 V297	I29-L47 HydrophobicContact CD1-CD2 4.22Å; F43-L47 HydrophobicContact CD1-CD1 4.11Å; F43-L47 HydrophobicContact CD2-CD1 4.35Å; F43-L47 HydrophobicContact CE1-CD1 3.67Å; F43-L47 HydrophobicContact CE2-CD1 3.91Å; F43-L47 HydrophobicContact CE2-CG 4.26Å; F43-L47 HydrophobicContact CG-CD1 4.44Å; F43-L47 HydrophobicContact CZ-CD1 3.58Å; F43-L47 HydrophobicContact CZ-CG 4.4Å; F43-L47 WeakPolarHBondContact O-CG 3.37Å; F43-L47 PolarHBondContact O-N 3Å; F43-L47 VanDerWaalsContact O-N 3.09Å; L47-H49 VanDerWaalsContact C-N 3.33Å; L47-L56 HydrophobicContact CD2-CB 3.7Å; L47-L56 HydrophobicContact CD2-CD1 4.15Å; L47-V297 HydrophobicContact CD2-CG1 3.96Å; L47-V297 HydrophobicContact CG-CG1 4.38Å
48	S	88.4	Confident	86.9	Confident	44 Å²	44	41.1 Å²	41.1	31%	0.308	21%	0.205	S	C	.	.	H	α-helix	trans	-72.1	-30	174.8	74.5	0	0	0	0	112.2	R44 F45 A46 Q51	R44-S48 PolarHBondContact O-N 3.36Å; F45-S48 PolarHBondContact O-N 3.12Å; F45-S48 PolarHBondContact O-OG 3.45Å; A46-S48 VanDerWaalsContact C-N 3.34Å; A46-S48 PolarHBondContact O-N 3Å; S48-Q51 PolarHBondContact O-NE2 3.34Å
49	H	84.3	Confident	87.2	Confident	69 Å²	69	43.5 Å²	43.5	32%	0.319	22%	0.216	S	C	.	.	H	α-helix	trans	-80.9	-42	176.7	-73.7	68.6	0	0	0	112.9	F45 A46 L47 Q51	F45-H49 AromaticContact CD2-CE1 3.7Å; F45-H49 AromaticContact CE2-CE1 3.21Å; F45-H49 WeakPolarHBondContact CE2-CE1 3.31Å; F45-H49 AromaticContact CE2-ND1 3.89Å; F45-H49 AromaticContact CZ-CE1 3.49Å; F45-H49 VanDerWaalsContact CZ-CE1 3.49Å; F45-H49 WeakPolarHBondContact CZ-CE1 3.39Å; F45-H49 AromaticContact CZ-NE2 3.96Å; F45-H49 PolarHBondContact O-N 3.33Å; F45-H49 PolarHBondContact O-ND1 2.84Å; A46-H49 PolarHBondContact O-N 3.4Å; L47-H49 VanDerWaalsContact C-N 3.33Å; H49-Q51 PolarHBondContact O-N 2.76Å
50	H	82.3	Confident	87.3	Confident	28 Å²	28	44.5 Å²	44.5	13%	0.13	22%	0.223	C	C	.	.			trans	-94.6	68	-175.2	-67.3	-55.4	0	0	0	113	A46 Y294	A46-H50 PolarHBondContact O-CD2 2.88Å; A46-H50 PolarHBondContact O-N 2.98Å; H50-Y294 AromaticContact NE2-CZ 3.98Å
51	Q	77.6	Confident	87.2	Confident	103 Å²	103	43.3 Å²	43.3	48%	0.481	22%	0.22	S	C	.	.			trans	-96.9	13.6	178.5	-62.9	-167.1	62.5	0	0	114.8	S48 H49	S48-Q51 PolarHBondContact O-NE2 3.34Å; H49-Q51 PolarHBondContact O-N 2.76Å
52	D	78.6	Confident	87.3	Confident	90 Å²	90	45.4 Å²	45.4	48%	0.481	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-57.2	154.6	172.7	-64.5	-50.9	0	0	0	112.3	P54 K55	D52-P54 CarbonylContact O-C 3.58Å; D52-P54 VanDerWaalsContact O-O 3.08Å; D52-K55 WeakPolarHBondContact O-CA 3.44Å; D52-K55 PolarHBondContact O-N 2.89Å
53	I	74.7	Confident	87.2	Confident	99 Å²	99	45.6 Å²	45.6	51%	0.508	23%	0.232	S	C	.	.	S	Bend	trans	-86.9	119.5	177.9	-52.2	175.1	0	0	0	109	R308	I53-R308 PolarHBondContact O-NH1 2.95Å
54	P	82.8	Confident	87	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.258	C	S	.	.	S	Bend	cis	-85.4	130.3	18.5	34.2	-36	0	0	0	114.1	F23 S25 I27 D52 L56 F304	F23-P54 HydrophobicContact CD1-CB 4.5Å; F23-P54 HydrophobicContact CE1-CB 3.87Å; F23-P54 HydrophobicContact CE1-CG 3.82Å; S25-P54 CarbonylContact O-C 3.6Å; S25-P54 WeakPolarHBondContact O-CA 3.45Å; I27-P54 HydrophobicContact CD1-CB 3.61Å; I27-P54 HydrophobicContact CD1-CG 3.63Å; I27-P54 HydrophobicContact CG1-CB 4Å; D52-P54 CarbonylContact O-C 3.58Å; D52-P54 VanDerWaalsContact O-O 3.08Å; P54-L56 PolarHBondContact O-N 2.95Å; P54-F304 HydrophobicContact CG-CB 3.72Å
55	K	87.9	Confident	86.7	Confident	82 Å²	82	47.8 Å²	47.8	36%	0.357	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	128	-175.6	179.1	162.6	178.1	163.2	0	110.7	S25 N26 I27 D52	S25-K55 PolarHBondContact O-N 3.43Å; N26-K55 CarbonylContact C-O 2.95Å; N26-K55 WeakPolarHBondContact CA-O 3.3Å; I27-K55 PolarHBondContact N-O 3.1Å; D52-K55 WeakPolarHBondContact O-CA 3.44Å; D52-K55 PolarHBondContact O-N 2.89Å
56	L	90.3	Very high	86.3	Confident	11 Å²	11	49.6 Å²	49.6	6%	0.058	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	131.5	175.6	-56.2	-178.8	0	0	0	110.5	I27 I29 L47 P54 V297 F304	I27-L56 HydrophobicContact CB-CD2 4.38Å; I29-L56 HydrophobicContact CD1-CB 4.13Å; I29-L56 HydrophobicContact CD1-CD1 4.31Å; I29-L56 HydrophobicContact CG2-CD2 4.23Å; L47-L56 HydrophobicContact CD2-CB 3.7Å; L47-L56 HydrophobicContact CD2-CD1 4.15Å; P54-L56 PolarHBondContact O-N 2.95Å; L56-V297 HydrophobicContact CD1-CG1 4Å; L56-F304 HydrophobicContact CD2-CD2 3.8Å; L56-F304 HydrophobicContact CD2-CE2 4.22Å
57	V	90.6	Very high	86.3	Confident	50 Å²	50	53 Å²	53	30%	0.303	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	110.3	178.4	178	0	0	0	0	108.3	N26 I27 N28 I29	N26-V57 HydrophobicContact CB-CG2 3.97Å; I27-V57 PolarHBondContact O-N 3.46Å; N28-V57 CarbonylContact C-O 3.55Å; N28-V57 WeakPolarHBondContact CA-O 3.46Å; I29-V57 PolarHBondContact N-O 3.27Å
58	S	91.1	Very high	86.3	Confident	50 Å²	50	53.9 Å²	53.9	35%	0.35	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	126.9	-172.4	57.8	0	0	0	0	113.6	I29	I29-S58 CarbonylContact O-C 3.59Å; I29-S58 WeakPolarHBondContact O-CA 3.25Å
59	H	91.4	Very high	86.4	Confident	63 Å²	63	59.4 Å²	59.4	29%	0.292	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	109.4	163	-58.7	-78	0	0	0	108.5	I29 G30 G31 Q78 K81	I29-H59 PolarHBondContact O-N 3.23Å; G30-H59 CarbonylContact C-O 3.6Å; G30-H59 WeakPolarHBondContact CA-O 3.26Å; G31-H59 PolarHBondContact N-O 3.29Å; H59-Q78 PolarHBondContact O-NE2 3.14Å; H59-Q78 PolarHBondContact O-OE1 2.91Å; H59-K81 HydrophobicContact CB-CD 4.23Å
60	V	90.4	Very high	86.7	Confident	41 Å²	41	57.5 Å²	57.5	25%	0.248	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128	-178.8	-178.4	0	0	0	0	110.3	G31 F33 Y40 F43 M62	G31-V60 WeakPolarHBondContact O-CA 3.4Å; F33-V60 HydrophobicContact CD2-CG1 3.99Å; Y40-V60 HydrophobicContact CD2-CG1 4.06Å; Y40-V60 HydrophobicContact CE2-CB 4.24Å; Y40-V60 HydrophobicContact CE2-CG1 3.88Å; Y40-V60 HydrophobicContact CE2-CG2 4.04Å; F43-V60 HydrophobicContact CD1-CG2 4.31Å; F43-V60 HydrophobicContact CE1-CG2 3.69Å; V60-M62 HydrophobicContact CG1-CE 3.97Å; V60-M62 HydrophobicContact CG1-SD 4.14Å
61	D	89.6	Confident	87.2	Confident	35 Å²	35	56.2 Å²	56.2	19%	0.187	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.9	166.2	-67.6	-36.6	0	0	0	108.3	G31 L32 A74 S77 Q78 K81	G31-D61 PolarHBondContact O-N 2.89Å; L32-D61 HydrophobicContact CD2-CB 4.18Å; D61-A74 HydrophobicContact CB-CB 4.26Å; D61-S77 WeakPolarHBondContact OD2-CB 3.35Å; D61-S77 PolarHBondContact OD2-OG 3.43Å; D61-Q78 PolarHBondContact OD2-NE2 3.47Å; D61-K81 IonicContact OD1-NZ 3.72Å; D61-K81 PolarHBondContact OD1-NZ 3.04Å; D61-K81 IonicContact OD2-NZ 2.98Å; D61-K81 PolarHBondContact OD2-NZ 3.21Å
62	M	89.2	Confident	87.9	Confident	75 Å²	75	53 Å²	53	37%	0.369	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	136	179.1	-59.9	-62.7	-177.6	0	0	110.6	F33 N35 Y40 V60	F33-M62 HydrophobicContact CB-SD 4.28Å; F33-M62 CarbonylContact O-C 3.59Å; F33-M62 WeakPolarHBondContact O-CA 3.35Å; N35-M62 VanDerWaalsContact OD1-CB 3.3Å; N35-M62 WeakPolarHBondContact OD1-CB 3.33Å; Y40-M62 HydrophobicContact CD1-CE 3.75Å; Y40-M62 HydrophobicContact CD2-CE 3.95Å; Y40-M62 HydrophobicContact CE1-CE 3.54Å; Y40-M62 HydrophobicContact CE2-CE 3.77Å; Y40-M62 HydrophobicContact CG-CE 3.94Å; V60-M62 HydrophobicContact CG1-CE 3.97Å; V60-M62 HydrophobicContact CG1-SD 4.14Å
63	V	88.9	Confident	88.5	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.018	30%	0.298	C	S	.	.			trans	-133.2	145.9	-165.4	-168.2	0	0	0	0	111.8	L32 F33 M65 M71 A74	L32-V63 HydrophobicContact CB-CG2 4.32Å; L32-V63 HydrophobicContact CD2-CG2 4.01Å; F33-V63 PolarHBondContact O-N 3.38Å; V63-M65 HydrophobicContact CB-SD 4.24Å; V63-M65 PolarHBondContact O-N 3.42Å; V63-M71 HydrophobicContact CG1-CB 4.3Å; V63-M71 HydrophobicContact CG1-CE 4.2Å; V63-M71 HydrophobicContact CG1-SD 4.11Å; V63-A74 HydrophobicContact CG2-CB 3.52Å
64	I	87.2	Confident	89.4	Confident	104 Å²	104	52.4 Å²	52.4	53%	0.533	28%	0.276	S	S	.	.			trans	-86.1	101.3	167.2	-59.3	176.8	0	0	0	108	G66 N67 S70	I64-G66 VanDerWaalsContact C-N 3.28Å; I64-G66 PolarHBondContact O-N 3.42Å; I64-G66 VanDerWaalsContact O-N 3.12Å; I64-N67 HydrophobicContact CB-CB 4.24Å; I64-N67 HydrophobicContact CG2-CB 4.07Å; I64-N67 PolarHBondContact O-N 2.96Å; I64-S70 PolarHBondContact N-OG 3.11Å
65	M	83.6	Confident	89.9	Confident	30 Å²	30	52.4 Å²	52.4	15%	0.148	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-34.1	-165.4	-53.1	-48.4	-59.8	0	0	115.5	P34 V63 M71 L89 D91 T94	P34-M65 HydrophobicContact CB-CG 4.31Å; P34-M65 HydrophobicContact CB-SD 4.47Å; P34-M65 HydrophobicContact CG-CG 3.75Å; P34-M65 HydrophobicContact CG-SD 3.88Å; V63-M65 HydrophobicContact CB-SD 4.24Å; V63-M65 PolarHBondContact O-N 3.42Å; M65-M71 HydrophobicContact CE-CE 3.57Å; M65-L89 HydrophobicContact CE-CB 3.61Å; M65-L89 WeakPolarHBondContact CE-O 3.47Å; M65-D91 HydrophobicContact CB-CB 4.46Å; M65-D91 WeakPolarHBondContact O-CB 3.48Å; M65-T94 WeakPolarHBondContact O-CG2 3.27Å; M65-T94 PolarHBondContact O-OG1 3.1Å
66	G	82.3	Confident	90.1	Very high	40 Å²	40	49.5 Å²	49.5	41%	0.412	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	4.1	178.6	0	0	0	0	0	115.2	I64 D91	I64-G66 VanDerWaalsContact C-N 3.28Å; I64-G66 PolarHBondContact O-N 3.42Å; I64-G66 VanDerWaalsContact O-N 3.12Å; G66-D91 VanDerWaalsContact CA-OD2 3.28Å; G66-D91 WeakPolarHBondContact CA-OD2 3.39Å
67	N	90	Very high	90.2	Very high	70 Å²	70	50.1 Å²	50.1	37%	0.374	27%	0.271	S	S	.	.			trans	-111.5	103.8	178.8	-178.5	-21	0	0	0	110.8	I64 F69 S70 M71	I64-N67 HydrophobicContact CB-CB 4.24Å; I64-N67 HydrophobicContact CG2-CB 4.07Å; I64-N67 PolarHBondContact O-N 2.96Å; N67-F69 VanDerWaalsContact C-N 3.26Å; N67-F69 PolarHBondContact O-N 3.11Å; N67-F69 WeakPolarHBondContact OD1-CB 3.3Å; N67-F69 PolarHBondContact OD1-N 2.94Å; N67-S70 WeakPolarHBondContact O-CB 3.46Å; N67-S70 PolarHBondContact O-N 2.85Å; N67-S70 VanDerWaalsContact O-N 3.1Å; N67-S70 PolarHBondContact OD1-N 3.43Å; N67-M71 PolarHBondContact O-N 3.39Å
68	S	91	Very high	90.2	Very high	44 Å²	44	47.7 Å²	47.7	31%	0.308	26%	0.257	S	S	.	.	H	α-helix	trans	-62	-27.6	-177.7	-39.2	0	0	0	0	114	T72 K93	S68-T72 WeakPolarHBondContact O-CB 3.45Å; S68-T72 PolarHBondContact O-N 2.88Å; S68-T72 PolarHBondContact O-OG1 2.95Å; S68-K93 PolarHBondContact OG-O 3.07Å
69	F	91.1	Very high	90.2	Very high	161 Å²	161	45.5 Å²	45.5	71%	0.706	24%	0.241	S	C	*	.	H	α-helix	trans	-72.1	-42.1	174.1	180	-96.5	0	0	0	111.6	N67 M71 T72 Y73	N67-F69 VanDerWaalsContact C-N 3.26Å; N67-F69 PolarHBondContact O-N 3.11Å; N67-F69 WeakPolarHBondContact OD1-CB 3.3Å; N67-F69 PolarHBondContact OD1-N 2.94Å; F69-M71 VanDerWaalsContact C-N 3.32Å; F69-M71 PolarHBondContact O-N 2.79Å; F69-T72 PolarHBondContact O-N 3.38Å; F69-Y73 PolarHBondContact O-N 3.31Å
70	S	91.1	Very high	90.1	Very high	29 Å²	29	45.8 Å²	45.8	20%	0.203	25%	0.25	C	S	.	.	H	α-helix	trans	-61.3	-42	173.4	-176.8	0	0	0	0	111.2	I64 N67 Y73 A74	I64-S70 PolarHBondContact N-OG 3.11Å; N67-S70 WeakPolarHBondContact O-CB 3.46Å; N67-S70 PolarHBondContact O-N 2.85Å; N67-S70 VanDerWaalsContact O-N 3.1Å; N67-S70 PolarHBondContact OD1-N 3.43Å; S70-Y73 PolarHBondContact O-N 3.15Å; S70-A74 WeakPolarHBondContact O-CB 3.43Å; S70-A74 PolarHBondContact O-N 3.1Å
71	M	91.6	Very high	90	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.6	-42	174.8	-171.3	64.8	81.4	0	0	112.4	L32 V63 M65 N67 F69 A74 F75 T94 M97 L98	L32-M71 HydrophobicContact CD1-SD 3.79Å; V63-M71 HydrophobicContact CG1-CB 4.3Å; V63-M71 HydrophobicContact CG1-CE 4.2Å; V63-M71 HydrophobicContact CG1-SD 4.11Å; M65-M71 HydrophobicContact CE-CE 3.57Å; N67-M71 PolarHBondContact O-N 3.39Å; F69-M71 VanDerWaalsContact C-N 3.32Å; F69-M71 PolarHBondContact O-N 2.79Å; M71-A74 PolarHBondContact O-N 3.49Å; M71-F75 WeakPolarHBondContact O-CB 3.44Å; M71-F75 PolarHBondContact O-N 3.25Å; M71-T94 HydrophobicContact CB-CG2 4.18Å; M71-M97 HydrophobicContact CB-SD 4.04Å; M71-M97 HydrophobicContact CG-CE 4.14Å; M71-M97 HydrophobicContact CG-SD 3.7Å; M71-L98 HydrophobicContact CE-CD1 4.04Å; M71-L98 HydrophobicContact CG-CD1 4.08Å; M71-L98 HydrophobicContact CG-CD2 3.81Å; M71-L98 HydrophobicContact CG-CG 3.88Å; M71-L98 HydrophobicContact SD-CD1 4.02Å; M71-L98 HydrophobicContact SD-CD2 4.01Å; M71-L98 HydrophobicContact SD-CG 4.32Å
72	T	92.2	Very high	89.9	Confident	36 Å²	36	46.5 Å²	46.5	22%	0.221	25%	0.252	C	S	.	.	H	α-helix	trans	-60.9	-48.2	175.9	-56.5	0	0	0	0	111.4	S68 F69 A74 F75 C76 F101	S68-T72 WeakPolarHBondContact O-CB 3.45Å; S68-T72 PolarHBondContact O-N 2.88Å; S68-T72 PolarHBondContact O-OG1 2.95Å; F69-T72 PolarHBondContact O-N 3.38Å; T72-A74 PolarHBondContact O-N 3Å; T72-F75 PolarHBondContact O-N 2.93Å; T72-C76 VanDerWaalsContact O-CB 3.3Å; T72-C76 WeakPolarHBondContact O-CB 3.35Å; T72-C76 PolarHBondContact O-N 2.92Å; T72-C76 PolarHBondContact O-SG 2.84Å; T72-F101 HydrophobicContact CG2-CE2 4.03Å; T72-F101 HydrophobicContact CG2-CZ 3.83Å
73	Y	92.3	Very high	90	Very high	170 Å²	170	43 Å²	43	67%	0.667	24%	0.235	S	C	*	.	H	α-helix	trans	-60.6	-44.7	178.8	-174.8	-94.8	0	0	0	112	F69 S70 C76 S77	F69-Y73 PolarHBondContact O-N 3.31Å; S70-Y73 PolarHBondContact O-N 3.15Å; Y73-C76 PolarHBondContact O-N 3.48Å; Y73-S77 WeakPolarHBondContact O-CB 3.32Å; Y73-S77 PolarHBondContact O-N 3.48Å
74	A	92.8	Very high	90.1	Very high	6 Å²	6	44.1 Å²	44.1	5%	0.05	24%	0.239	C	C	.	.	H	α-helix	trans	-66.3	-42.9	178.1	0	0	0	0	0	112.5	L32 D61 V63 S70 M71 T72 C76 S77 Q78	L32-A74 HydrophobicContact CD2-CB 3.76Å; D61-A74 HydrophobicContact CB-CB 4.26Å; V63-A74 HydrophobicContact CG2-CB 3.52Å; S70-A74 WeakPolarHBondContact O-CB 3.43Å; S70-A74 PolarHBondContact O-N 3.1Å; M71-A74 PolarHBondContact O-N 3.49Å; T72-A74 PolarHBondContact O-N 3Å; A74-C76 PolarHBondContact O-N 3.1Å; A74-S77 WeakPolarHBondContact O-CB 3.39Å; A74-S77 PolarHBondContact O-N 3.4Å; A74-Q78 WeakPolarHBondContact O-CG 3.08Å; A74-Q78 PolarHBondContact O-N 3.3Å
75	F	93.3	Very high	90.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.9	-44.9	174.8	-172.5	-79.2	0	0	0	111.7	M71 T72 S77 Q78 F79 I86 M97 L98 F101 L105 V107	M71-F75 WeakPolarHBondContact O-CB 3.44Å; M71-F75 PolarHBondContact O-N 3.25Å; T72-F75 PolarHBondContact O-N 2.93Å; F75-S77 VanDerWaalsContact C-N 3.34Å; F75-S77 PolarHBondContact O-N 3.28Å; F75-Q78 PolarHBondContact O-N 2.87Å; F75-F79 PolarHBondContact O-N 3.11Å; F75-I86 HydrophobicContact CD2-CD1 3.88Å; F75-I86 HydrophobicContact CE2-CD1 3.78Å; F75-I86 HydrophobicContact CZ-CD1 4.36Å; F75-M97 HydrophobicContact CB-CE 4.27Å; F75-L98 HydrophobicContact CD2-CD2 3.66Å; F75-L98 HydrophobicContact CE2-CD2 4.3Å; F75-L98 HydrophobicContact CG-CD2 4.45Å; F75-F101 HydrophobicContact CD1-CB 4.05Å; F75-F101 HydrophobicContact CD1-CD1 4.22Å; F75-F101 HydrophobicContact CD1-CG 4.26Å; F75-F101 HydrophobicContact CE1-CB 3.72Å; F75-F101 HydrophobicContact CE1-CD1 4.24Å; F75-F101 HydrophobicContact CE1-CG 4.3Å; F75-F101 HydrophobicContact CE2-CB 4.36Å; F75-F101 HydrophobicContact CZ-CB 3.87Å; F75-L105 HydrophobicContact CE1-CD1 4.05Å; F75-V107 HydrophobicContact CZ-CB 4Å; F75-V107 HydrophobicContact CZ-CG1 4.17Å; F75-V107 HydrophobicContact CZ-CG2 4.24Å
76	C	91.7	Very high	91	Very high	21 Å²	21	37.8 Å²	37.8	14%	0.142	21%	0.207	C	C	.	.	H	α-helix	trans	-63.2	-37.1	175.9	-74.7	0	0	0	0	113.2	T72 Y73 A74 F79 S80 C323	T72-C76 VanDerWaalsContact O-CB 3.3Å; T72-C76 WeakPolarHBondContact O-CB 3.35Å; T72-C76 PolarHBondContact O-N 2.92Å; T72-C76 PolarHBondContact O-SG 2.84Å; Y73-C76 PolarHBondContact O-N 3.48Å; A74-C76 PolarHBondContact O-N 3.1Å; C76-F79 PolarHBondContact O-N 3.38Å; C76-S80 WeakPolarHBondContact O-CB 3.49Å; C76-S80 PolarHBondContact O-N 3.18Å; C76-S80 PolarHBondContact O-OG 3.15Å; C76-C323 HydrophobicContact CB-CB 3.85Å; C76-C323 WeakPolarHBondContact CB-SG 3.42Å; C76-C323 WeakPolarHBondContact SG-CB 3.45Å; C76-C323 CovalentContact SG-SG 2.02Å; C76-C323 PolarHBondContact SG-SG 3.09Å
77	S	92.5	Very high	91.6	Very high	24 Å²	24	35.9 Å²	35.9	17%	0.168	19%	0.187	C	C	.	.	H	α-helix	trans	-61.1	-46.6	171.1	159.1	0	0	0	0	111.6	D61 Y73 A74 F75 S80 K81	D61-S77 WeakPolarHBondContact OD2-CB 3.35Å; D61-S77 PolarHBondContact OD2-OG 3.43Å; Y73-S77 WeakPolarHBondContact O-CB 3.32Å; Y73-S77 PolarHBondContact O-N 3.48Å; A74-S77 WeakPolarHBondContact O-CB 3.39Å; A74-S77 PolarHBondContact O-N 3.4Å; F75-S77 VanDerWaalsContact C-N 3.34Å; F75-S77 PolarHBondContact O-N 3.28Å; S77-S80 PolarHBondContact O-N 3.26Å; S77-S80 PolarHBondContact O-OG 3.37Å; S77-S80 VanDerWaalsContact O-OG 3.12Å; S77-K81 WeakPolarHBondContact O-CB 3.21Å; S77-K81 WeakPolarHBondContact O-CD 3.47Å; S77-K81 WeakPolarHBondContact O-CG 3.19Å; S77-K81 PolarHBondContact O-N 3.18Å; S77-K81 WeakPolarHBondContact OG-CE 3.11Å; S77-K81 PolarHBondContact OG-NZ 3.22Å
78	Q	91.7	Very high	91.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.6	-40.1	176.3	-65.8	-64.3	-16	0	0	112.4	L32 H59 D61 A74 F75 K81 G82 V83 I86	L32-Q78 HydrophobicContact CD2-CG 3.89Å; H59-Q78 PolarHBondContact O-NE2 3.14Å; H59-Q78 PolarHBondContact O-OE1 2.91Å; D61-Q78 PolarHBondContact OD2-NE2 3.47Å; A74-Q78 WeakPolarHBondContact O-CG 3.08Å; A74-Q78 PolarHBondContact O-N 3.3Å; F75-Q78 PolarHBondContact O-N 2.87Å; Q78-K81 PolarHBondContact O-N 2.98Å; Q78-G82 PolarHBondContact O-N 2.59Å; Q78-V83 HydrophobicContact CB-CG2 4.09Å; Q78-V83 WeakPolarHBondContact O-CG2 3.35Å; Q78-V83 PolarHBondContact O-N 2.99Å; Q78-I86 HydrophobicContact CB-CD1 3.82Å; Q78-I86 HydrophobicContact CB-CG1 4.32Å
79	F	90.9	Very high	91.8	Very high	3 Å²	3	31.1 Å²	31.1	1%	0.013	16%	0.158	C	C	.	.	H	α-helix	trans	-61.6	-48.9	175.7	-174.5	-101.7	0	0	0	111.6	F75 C76 K81 G82 L105 V107 A320 C323	F75-F79 PolarHBondContact O-N 3.11Å; C76-F79 PolarHBondContact O-N 3.38Å; F79-K81 PolarHBondContact O-N 3.21Å; F79-G82 WeakPolarHBondContact O-CA 3.35Å; F79-G82 PolarHBondContact O-N 2.84Å; F79-L105 HydrophobicContact CD2-CB 4.42Å; F79-L105 HydrophobicContact CD2-CD1 4.14Å; F79-L105 HydrophobicContact CE2-CB 3.94Å; F79-L105 HydrophobicContact CE2-CD1 4.15Å; F79-L105 HydrophobicContact CE2-CD2 4.27Å; F79-L105 HydrophobicContact CE2-CG 4.35Å; F79-L105 HydrophobicContact CG-CD1 4.36Å; F79-L105 HydrophobicContact CZ-CD1 4.39Å; F79-L105 HydrophobicContact CZ-CD2 3.99Å; F79-V107 HydrophobicContact CD2-CG2 3.76Å; F79-V107 HydrophobicContact CE2-CG2 4.03Å; F79-A320 HydrophobicContact CD1-CB 4.18Å; F79-A320 HydrophobicContact CE1-CB 4.06Å; F79-A320 VanDerWaalsContact CE1-O 3.31Å; F79-A320 WeakPolarHBondContact CE1-O 3.23Å; F79-A320 HydrophobicContact CZ-CB 4.39Å; F79-A320 WeakPolarHBondContact O-CB 3.47Å; F79-C323 HydrophobicContact CD1-CB 4.16Å
80	S	88.3	Confident	91.8	Very high	70 Å²	70	23.9 Å²	23.9	49%	0.49	13%	0.126	S	C	.	.	H	α-helix	trans	-67.9	-32	-178.8	66.9	0	0	0	0	113.2	C76 S77 G82	C76-S80 WeakPolarHBondContact O-CB 3.49Å; C76-S80 PolarHBondContact O-N 3.18Å; C76-S80 PolarHBondContact O-OG 3.15Å; S77-S80 PolarHBondContact O-N 3.26Å; S77-S80 PolarHBondContact O-OG 3.37Å; S77-S80 VanDerWaalsContact O-OG 3.12Å; S80-G82 PolarHBondContact O-N 2.96Å
81	K	89.1	Confident	91.6	Very high	78 Å²	78	23.7 Å²	23.7	34%	0.339	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-12.1	166.6	-69.7	164.8	-170.7	172.7	0	113.5	H59 D61 S77 Q78 F79 V83	H59-K81 HydrophobicContact CB-CD 4.23Å; D61-K81 IonicContact OD1-NZ 3.72Å; D61-K81 PolarHBondContact OD1-NZ 3.04Å; D61-K81 IonicContact OD2-NZ 2.98Å; D61-K81 PolarHBondContact OD2-NZ 3.21Å; S77-K81 WeakPolarHBondContact O-CB 3.21Å; S77-K81 WeakPolarHBondContact O-CD 3.47Å; S77-K81 WeakPolarHBondContact O-CG 3.19Å; S77-K81 PolarHBondContact O-N 3.18Å; S77-K81 WeakPolarHBondContact OG-CE 3.11Å; S77-K81 PolarHBondContact OG-NZ 3.22Å; Q78-K81 PolarHBondContact O-N 2.98Å; F79-K81 PolarHBondContact O-N 3.21Å; K81-V83 HydrophobicContact CB-CG1 4.36Å
82	G	87.4	Confident	91.3	Very high	12 Å²	12	28 Å²	28	12%	0.124	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	25.6	173	0	0	0	0	0	115.2	Q78 F79 S80	Q78-G82 PolarHBondContact O-N 2.59Å; F79-G82 WeakPolarHBondContact O-CA 3.35Å; F79-G82 PolarHBondContact O-N 2.84Å; S80-G82 PolarHBondContact O-N 2.96Å
83	V	91.5	Very high	91	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.012	15%	0.153	C	C	.	.			trans	-63	153.6	-177.1	-54.7	0	0	0	0	113.2	N28 Q78 K81 I86	N28-V83 HydrophobicContact CB-CG1 4.44Å; N28-V83 CarbonylContact O-C 3.58Å; N28-V83 WeakPolarHBondContact O-CA 2.93Å; Q78-V83 HydrophobicContact CB-CG2 4.09Å; Q78-V83 WeakPolarHBondContact O-CG2 3.35Å; Q78-V83 PolarHBondContact O-N 2.99Å; K81-V83 HydrophobicContact CB-CG1 4.36Å; V83-I86 HydrophobicContact CG2-CD1 4.37Å; V83-I86 HydrophobicContact CG2-CG1 3.76Å
84	Y	90.9	Very high	90.9	Very high	27 Å²	27	23.8 Å²	23.8	11%	0.106	12%	0.121	C	C	.	.	S	Bend	trans	-93.7	-17.4	-173	-72.7	-104.8	0	0	0	114.3	I27 N28 I314 W331 I337	I27-Y84 HydrophobicContact CG2-CD1 4.37Å; I27-Y84 HydrophobicContact CG2-CD2 3.93Å; I27-Y84 HydrophobicContact CG2-CG 3.74Å; N28-Y84 HydrophobicContact CB-CD2 4.29Å; N28-Y84 WeakPolarHBondContact O-CD2 3.45Å; N28-Y84 PolarHBondContact O-N 3.18Å; Y84-I314 HydrophobicContact CD1-CD1 3.9Å; Y84-I314 HydrophobicContact CD1-CG1 4.33Å; Y84-I314 HydrophobicContact CE1-CB 4.25Å; Y84-I314 HydrophobicContact CE1-CD1 3.93Å; Y84-I314 HydrophobicContact CE1-CG1 3.94Å; Y84-I314 WeakPolarHBondContact CE1-O 3.34Å; Y84-W331 AromaticContact CD1-CH2 3.62Å; Y84-W331 HydrophobicContact CD1-CH2 3.62Å; Y84-W331 AromaticContact CD1-CZ2 3.69Å; Y84-W331 HydrophobicContact CD1-CZ2 3.69Å; Y84-W331 HydrophobicContact CE1-CZ2 4.17Å; Y84-W331 AromaticContact CG-CH2 3.96Å; Y84-W331 HydrophobicContact CG-CH2 3.96Å; Y84-W331 HydrophobicContact CG-CZ2 4.38Å; Y84-W331 WeakPolarHBondContact O-CH2 3.37Å; Y84-W331 WeakPolarHBondContact O-CZ3 3.35Å; Y84-I337 HydrophobicContact CD1-CD1 4.49Å
85	A	93.8	Very high	90.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.			trans	-166.2	154.7	172.9	0	0	0	0	0	107.3	I29 G30 C108 M300 F304	I29-A85 CarbonylContact C-O 3.57Å; I29-A85 WeakPolarHBondContact CA-O 3.32Å; G30-A85 PolarHBondContact N-O 3.49Å; A85-C108 WeakPolarHBondContact CA-O 3.09Å; A85-C108 HydrophobicContact CB-CB 4.39Å; A85-M300 HydrophobicContact CB-CE 3.8Å; A85-F304 HydrophobicContact CB-CZ 4.13Å
86	I	95.6	Very high	90.5	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.2	174.6	-59.7	175.2	0	0	0	107.8	G30 L32 F75 Q78 V83 V107 C108 F109 V110	G30-I86 CarbonylContact O-C 3.53Å; G30-I86 WeakPolarHBondContact O-CA 3.47Å; L32-I86 HydrophobicContact CD1-CG2 4.02Å; L32-I86 HydrophobicContact CG-CG2 3.83Å; F75-I86 HydrophobicContact CD2-CD1 3.88Å; F75-I86 HydrophobicContact CE2-CD1 3.78Å; F75-I86 HydrophobicContact CZ-CD1 4.36Å; Q78-I86 HydrophobicContact CB-CD1 3.82Å; Q78-I86 HydrophobicContact CB-CG1 4.32Å; V83-I86 HydrophobicContact CG2-CD1 4.37Å; V83-I86 HydrophobicContact CG2-CG1 3.76Å; I86-V107 HydrophobicContact CD1-CG1 3.89Å; I86-V107 HydrophobicContact CG1-CG1 4.09Å; I86-C108 PolarHBondContact N-O 3.27Å; I86-F109 HydrophobicContact CB-CD2 3.86Å; I86-F109 HydrophobicContact CB-CE2 4.34Å; I86-F109 HydrophobicContact CG2-CD2 3.68Å; I86-F109 HydrophobicContact CG2-CE2 3.63Å; I86-F109 CarbonylContact O-C 3.59Å; I86-F109 VanDerWaalsContact O-CA 3.29Å; I86-F109 WeakPolarHBondContact O-CA 3.38Å; I86-V110 PolarHBondContact O-N 3.34Å
87	I	95.7	Very high	90.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	138.1	165.3	-175.2	164.7	0	0	0	109.2	G30 G31 L32 F33 F43 V110 T293 V297 M300	G30-I87 PolarHBondContact O-N 3.18Å; G31-I87 VanDerWaalsContact CA-O 3.32Å; G31-I87 WeakPolarHBondContact CA-O 3.43Å; L32-I87 PolarHBondContact N-O 3.22Å; F33-I87 HydrophobicContact CZ-CG2 4.45Å; F43-I87 HydrophobicContact CD2-CG2 3.94Å; F43-I87 HydrophobicContact CE2-CG2 3.4Å; F43-I87 HydrophobicContact CZ-CG2 3.9Å; I87-V110 VanDerWaalsContact CA-O 3.32Å; I87-V110 WeakPolarHBondContact CA-O 3.35Å; I87-V110 HydrophobicContact CB-CB 4.41Å; I87-V110 HydrophobicContact CD1-CG1 4.34Å; I87-V110 HydrophobicContact CG1-CB 4.4Å; I87-V110 HydrophobicContact CG1-CG1 4.42Å; I87-T293 HydrophobicContact CD1-CG2 4.32Å; I87-V297 HydrophobicContact CD1-CG2 4.25Å; I87-M300 HydrophobicContact CB-SD 3.95Å; I87-M300 HydrophobicContact CD1-SD 4.24Å; I87-M300 HydrophobicContact CG2-SD 4.43Å
88	G	93.3	Very high	90.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.6	173.7	179.7	0	0	0	0	0	115.2	L32 V110 T111 P112	L32-G88 WeakPolarHBondContact O-CA 3.4Å; G88-V110 PolarHBondContact N-O 2.95Å; G88-T111 WeakPolarHBondContact O-CA 3.48Å; G88-T111 VanDerWaalsContact O-CB 3.31Å; G88-T111 WeakPolarHBondContact O-CB 3.39Å; G88-T111 PolarHBondContact O-OG1 3.41Å; G88-P112 WeakPolarHBondContact O-CD 3.47Å
89	L	91.8	Very high	90.2	Very high	13 Å²	13	30 Å²	30	7%	0.068	15%	0.149	C	C	.	.			trans	-90.2	164.4	171.9	-69.9	169.1	0	0	0	110.6	L32 P34 E39 M65 P112 M289	L32-L89 PolarHBondContact O-N 3.2Å; P34-L89 HydrophobicContact CG-CD1 4.1Å; E39-L89 HydrophobicContact CG-CD1 4.25Å; M65-L89 HydrophobicContact CE-CB 3.61Å; M65-L89 WeakPolarHBondContact CE-O 3.47Å; L89-P112 HydrophobicContact CD2-CG 3.77Å; L89-M289 HydrophobicContact CD1-CE 4.41Å; L89-M289 HydrophobicContact CD2-CE 3.53Å
90	Y	90	Very high	90.2	Very high	10 Å²	10	33.9 Å²	33.9	4%	0.039	18%	0.176	C	C	.	.			trans	-142.9	160	163	54.5	-122.4	0	0	0	112	V95 L98 F109 T111 S113 F114 I116	Y90-V95 HydrophobicContact CD1-CG2 3.86Å; Y90-V95 HydrophobicContact CD2-CB 3.85Å; Y90-V95 HydrophobicContact CD2-CG2 3.61Å; Y90-V95 HydrophobicContact CE1-CG2 3.79Å; Y90-V95 HydrophobicContact CE2-CB 4.25Å; Y90-V95 HydrophobicContact CE2-CG2 3.58Å; Y90-V95 HydrophobicContact CG-CB 4.07Å; Y90-V95 HydrophobicContact CG-CG2 3.8Å; Y90-L98 HydrophobicContact CD1-CD1 4.25Å; Y90-L98 HydrophobicContact CG-CD1 4.45Å; Y90-F109 AromaticContact CD1-CE1 3.85Å; Y90-F109 HydrophobicContact CD1-CE1 3.85Å; Y90-F109 HydrophobicContact CE1-CE1 4.34Å; Y90-T111 HydrophobicContact CE1-CG2 3.66Å; Y90-S113 PolarHBondContact N-OG 2.83Å; Y90-S113 PolarHBondContact O-OG 2.89Å; Y90-F114 HydrophobicContact CD2-CE1 4.06Å; Y90-F114 HydrophobicContact CD2-CE2 4.44Å; Y90-F114 AromaticContact CD2-CZ 3.87Å; Y90-F114 HydrophobicContact CD2-CZ 3.87Å; Y90-F114 HydrophobicContact CE2-CD1 4.41Å; Y90-F114 HydrophobicContact CE2-CD2 4.24Å; Y90-F114 HydrophobicContact CE2-CE1 4.05Å; Y90-F114 AromaticContact CE2-CE2 3.86Å; Y90-F114 HydrophobicContact CE2-CE2 3.86Å; Y90-F114 HydrophobicContact CE2-CG 4.49Å; Y90-F114 AromaticContact CE2-CZ 3.74Å; Y90-F114 HydrophobicContact CE2-CZ 3.74Å; Y90-F114 PolarHBondContact OH-O 2.99Å; Y90-I116 HydrophobicContact CE2-CD1 4.44Å
91	D	88.1	Confident	90.3	Very high	25 Å²	25	32.3 Å²	32.3	13%	0.134	16%	0.161	C	C	.	.			trans	-102.8	156.6	167.8	175.8	18.1	0	0	0	109	M65 G66 K93 T94 V95	M65-D91 HydrophobicContact CB-CB 4.46Å; M65-D91 WeakPolarHBondContact O-CB 3.48Å; G66-D91 VanDerWaalsContact CA-OD2 3.28Å; G66-D91 WeakPolarHBondContact CA-OD2 3.39Å; D91-K93 PolarHBondContact O-N 3.24Å; D91-K93 IonicContact OD1-NZ 3.73Å; D91-K93 PolarHBondContact OD1-NZ 2.95Å; D91-K93 WeakPolarHBondContact OD2-CB 3.36Å; D91-K93 VanDerWaalsContact OD2-CD 3.26Å; D91-K93 WeakPolarHBondContact OD2-CD 3.4Å; D91-K93 WeakPolarHBondContact OD2-CG 3.42Å; D91-K93 IonicContact OD2-NZ 3.53Å; D91-K93 PolarHBondContact OD2-NZ 2.99Å; D91-T94 PolarHBondContact N-OG1 2.87Å; D91-T94 VanDerWaalsContact N-OG1 3.16Å; D91-T94 PolarHBondContact O-N 3.26Å; D91-T94 PolarHBondContact O-OG1 3.31Å; D91-V95 WeakPolarHBondContact O-CB 3.47Å; D91-V95 PolarHBondContact O-N 3.23Å
92	R	84.8	Confident	90.4	Very high	89 Å²	89	28.6 Å²	28.6	34%	0.336	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-24.7	174.4	-163.8	176.9	-170.1	115.8	10.6	113.1	F114 S152 D153	R92-F114 HydrophobicContact CB-CZ 3.96Å; R92-S152 WeakPolarHBondContact CD-O 3.4Å; R92-S152 PolarHBondContact NE-O 2.75Å; R92-S152 PolarHBondContact NH1-O 3.36Å; R92-D153 WeakPolarHBondContact CD-O 3.4Å
93	K	86.2	Confident	90.5	Very high	118 Å²	118	29.4 Å²	29.4	51%	0.513	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-25.4	177	-55.5	172.3	-160.1	72.2	0	113.1	S68 D91 D153	S68-K93 PolarHBondContact OG-O 3.07Å; D91-K93 PolarHBondContact O-N 3.24Å; D91-K93 IonicContact OD1-NZ 3.73Å; D91-K93 PolarHBondContact OD1-NZ 2.95Å; D91-K93 WeakPolarHBondContact OD2-CB 3.36Å; D91-K93 VanDerWaalsContact OD2-CD 3.26Å; D91-K93 WeakPolarHBondContact OD2-CD 3.4Å; D91-K93 WeakPolarHBondContact OD2-CG 3.42Å; D91-K93 IonicContact OD2-NZ 3.53Å; D91-K93 PolarHBondContact OD2-NZ 2.99Å; K93-D153 IonicContact NZ-OD1 3.33Å; K93-D153 PolarHBondContact NZ-OD1 2.99Å
94	T	89.3	Confident	90.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-18.7	-176.8	50.8	0	0	0	0	113.9	M65 M71 D91 N96 M97 L98	M65-T94 WeakPolarHBondContact O-CG2 3.27Å; M65-T94 PolarHBondContact O-OG1 3.1Å; M71-T94 HydrophobicContact CB-CG2 4.18Å; D91-T94 PolarHBondContact N-OG1 2.87Å; D91-T94 VanDerWaalsContact N-OG1 3.16Å; D91-T94 PolarHBondContact O-N 3.26Å; D91-T94 PolarHBondContact O-OG1 3.31Å; T94-N96 PolarHBondContact O-N 2.79Å; T94-M97 WeakPolarHBondContact O-CB 3.28Å; T94-M97 PolarHBondContact O-N 2.83Å; T94-L98 PolarHBondContact O-N 3.37Å; T94-L98 VanDerWaalsContact O-N 3.09Å
95	V	88.7	Confident	90.5	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.03	17%	0.166	C	C	.	.	H	α-helix	trans	-59.1	-47.6	-174.4	73.7	0	0	0	0	113.9	Y90 D91 M97 L98 M99 I116	Y90-V95 HydrophobicContact CD1-CG2 3.86Å; Y90-V95 HydrophobicContact CD2-CB 3.85Å; Y90-V95 HydrophobicContact CD2-CG2 3.61Å; Y90-V95 HydrophobicContact CE1-CG2 3.79Å; Y90-V95 HydrophobicContact CE2-CB 4.25Å; Y90-V95 HydrophobicContact CE2-CG2 3.58Å; Y90-V95 HydrophobicContact CG-CB 4.07Å; Y90-V95 HydrophobicContact CG-CG2 3.8Å; D91-V95 WeakPolarHBondContact O-CB 3.47Å; D91-V95 PolarHBondContact O-N 3.23Å; V95-M97 PolarHBondContact O-N 2.86Å; V95-L98 PolarHBondContact O-N 3.33Å; V95-L98 VanDerWaalsContact O-N 3.09Å; V95-M99 HydrophobicContact CG2-CG 4.47Å; V95-M99 WeakPolarHBondContact O-CG 3.16Å; V95-M99 PolarHBondContact O-N 2.9Å; V95-I116 HydrophobicContact CG2-CD1 3.3Å; V95-I116 HydrophobicContact CG2-CG1 4.35Å
96	N	88.9	Confident	90.4	Very high	120 Å²	120	32.3 Å²	32.3	64%	0.642	18%	0.175	S	C	*	.	H	α-helix	trans	-61	-32.6	-179.9	-69.1	-15.1	0	0	0	112.7	T94 S100	T94-N96 PolarHBondContact O-N 2.79Å; N96-S100 PolarHBondContact O-N 2.92Å
97	M	90.6	Very high	90.2	Very high	31 Å²	31	32.4 Å²	32.4	15%	0.153	18%	0.176	C	C	.	.	H	α-helix	trans	-69.3	-49	174	158.5	-92.8	150.1	0	0	110.5	M71 F75 T94 V95 M99 S100 F101	M71-M97 HydrophobicContact CB-SD 4.04Å; M71-M97 HydrophobicContact CG-CE 4.14Å; M71-M97 HydrophobicContact CG-SD 3.7Å; F75-M97 HydrophobicContact CB-CE 4.27Å; T94-M97 WeakPolarHBondContact O-CB 3.28Å; T94-M97 PolarHBondContact O-N 2.83Å; V95-M97 PolarHBondContact O-N 2.86Å; M97-M99 VanDerWaalsContact C-N 3.3Å; M97-M99 PolarHBondContact O-N 2.84Å; M97-S100 WeakPolarHBondContact O-CB 3.48Å; M97-S100 PolarHBondContact O-N 3.02Å; M97-F101 HydrophobicContact CE-CD2 3.42Å; M97-F101 VanDerWaalsContact CE-CD2 3.42Å; M97-F101 HydrophobicContact CE-CE2 3.78Å; M97-F101 HydrophobicContact CE-CG 4.23Å; M97-F101 HydrophobicContact CG-CD2 4Å; M97-F101 HydrophobicContact CG-CE2 4.07Å; M97-F101 WeakPolarHBondContact O-CD2 3.32Å; M97-F101 PolarHBondContact O-N 2.97Å; M97-F101 VanDerWaalsContact O-N 3.09Å
98	L	90.5	Very high	90.1	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-58.2	-42	176.1	-76.6	170.7	0	0	0	112	M71 F75 Y90 T94 V95 S100 F101 C102 F109	M71-L98 HydrophobicContact CE-CD1 4.04Å; M71-L98 HydrophobicContact CG-CD1 4.08Å; M71-L98 HydrophobicContact CG-CD2 3.81Å; M71-L98 HydrophobicContact CG-CG 3.88Å; M71-L98 HydrophobicContact SD-CD1 4.02Å; M71-L98 HydrophobicContact SD-CD2 4.01Å; M71-L98 HydrophobicContact SD-CG 4.32Å; F75-L98 HydrophobicContact CD2-CD2 3.66Å; F75-L98 HydrophobicContact CE2-CD2 4.3Å; F75-L98 HydrophobicContact CG-CD2 4.45Å; Y90-L98 HydrophobicContact CD1-CD1 4.25Å; Y90-L98 HydrophobicContact CG-CD1 4.45Å; T94-L98 PolarHBondContact O-N 3.37Å; T94-L98 VanDerWaalsContact O-N 3.09Å; V95-L98 PolarHBondContact O-N 3.33Å; V95-L98 VanDerWaalsContact O-N 3.09Å; L98-S100 VanDerWaalsContact C-N 3.33Å; L98-S100 PolarHBondContact O-N 2.87Å; L98-F101 PolarHBondContact O-N 2.86Å; L98-C102 WeakPolarHBondContact O-CB 3.03Å; L98-C102 PolarHBondContact O-N 3.29Å; L98-C102 PolarHBondContact O-SG 2.87Å; L98-F109 HydrophobicContact CD1-CE2 4.42Å; L98-F109 HydrophobicContact CD1-CZ 4.08Å; L98-F109 HydrophobicContact CD2-CE2 4.39Å
99	M	88.8	Confident	90.2	Very high	25 Å²	25	32.5 Å²	32.5	12%	0.123	18%	0.176	C	C	.	.	H	α-helix	trans	-58.4	-45	177.5	-64.5	-41.9	-48.4	0	0	112.3	V95 M97 C102 G103 I116 N120 V123	V95-M99 HydrophobicContact CG2-CG 4.47Å; V95-M99 WeakPolarHBondContact O-CG 3.16Å; V95-M99 PolarHBondContact O-N 2.9Å; M97-M99 VanDerWaalsContact C-N 3.3Å; M97-M99 PolarHBondContact O-N 2.84Å; M99-C102 PolarHBondContact O-N 3.32Å; M99-G103 PolarHBondContact O-N 3.24Å; M99-I116 HydrophobicContact SD-CD1 4.24Å; M99-N120 HydrophobicContact CE-CB 3.46Å; M99-N120 VanDerWaalsContact CE-CB 3.46Å; M99-N120 WeakPolarHBondContact CE-OD1 3.26Å; M99-V123 HydrophobicContact CE-CB 3.83Å; M99-V123 HydrophobicContact CE-CG1 4.5Å; M99-V123 HydrophobicContact CE-CG2 3.26Å; M99-V123 HydrophobicContact SD-CB 4.32Å; M99-V123 HydrophobicContact SD-CG1 4.38Å; M99-V123 HydrophobicContact SD-CG2 3.77Å
100	S	90	Very high	90.4	Very high	83 Å²	83	31.9 Å²	31.9	58%	0.58	17%	0.173	S	C	*	.	H	α-helix	trans	-61.4	-46.8	177.8	-170.6	0	0	0	0	111.9	N96 M97 L98 G103 A104	N96-S100 PolarHBondContact O-N 2.92Å; M97-S100 WeakPolarHBondContact O-CB 3.48Å; M97-S100 PolarHBondContact O-N 3.02Å; L98-S100 VanDerWaalsContact C-N 3.33Å; L98-S100 PolarHBondContact O-N 2.87Å; S100-G103 PolarHBondContact O-N 2.62Å; S100-A104 VanDerWaalsContact O-CB 3.26Å; S100-A104 WeakPolarHBondContact O-CB 3.45Å; S100-A104 PolarHBondContact O-N 3.29Å
101	F	91	Very high	90.6	Very high	38 Å²	38	31.4 Å²	31.4	17%	0.167	17%	0.171	C	C	.	.	H	α-helix	trans	-67.5	-39.9	178.6	-84.3	-80.6	0	0	0	113.4	T72 F75 M97 L98 A104 L105 L324	T72-F101 HydrophobicContact CG2-CE2 4.03Å; T72-F101 HydrophobicContact CG2-CZ 3.83Å; F75-F101 HydrophobicContact CD1-CB 4.05Å; F75-F101 HydrophobicContact CD1-CD1 4.22Å; F75-F101 HydrophobicContact CD1-CG 4.26Å; F75-F101 HydrophobicContact CE1-CB 3.72Å; F75-F101 HydrophobicContact CE1-CD1 4.24Å; F75-F101 HydrophobicContact CE1-CG 4.3Å; F75-F101 HydrophobicContact CE2-CB 4.36Å; F75-F101 HydrophobicContact CZ-CB 3.87Å; M97-F101 HydrophobicContact CE-CD2 3.42Å; M97-F101 VanDerWaalsContact CE-CD2 3.42Å; M97-F101 HydrophobicContact CE-CE2 3.78Å; M97-F101 HydrophobicContact CE-CG 4.23Å; M97-F101 HydrophobicContact CG-CD2 4Å; M97-F101 HydrophobicContact CG-CE2 4.07Å; M97-F101 WeakPolarHBondContact O-CD2 3.32Å; M97-F101 PolarHBondContact O-N 2.97Å; M97-F101 VanDerWaalsContact O-N 3.09Å; L98-F101 PolarHBondContact O-N 2.86Å; F101-A104 PolarHBondContact O-N 2.88Å; F101-L105 HydrophobicContact CD1-CD1 4.04Å; F101-L105 WeakPolarHBondContact O-CB 3.46Å; F101-L105 PolarHBondContact O-N 2.97Å; F101-L324 HydrophobicContact CE1-CD2 4.4Å; F101-L324 HydrophobicContact CZ-CD2 4.44Å
102	C	91.6	Very high	90.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.3	-43.2	177.3	-62	0	0	0	0	111.2	L98 M99 H106 V107 F122 V123	L98-C102 WeakPolarHBondContact O-CB 3.03Å; L98-C102 PolarHBondContact O-N 3.29Å; L98-C102 PolarHBondContact O-SG 2.87Å; M99-C102 PolarHBondContact O-N 3.32Å; C102-H106 WeakPolarHBondContact O-CA 3.23Å; C102-H106 PolarHBondContact O-N 2.82Å; C102-V107 WeakPolarHBondContact CB-O 3.22Å; C102-V107 PolarHBondContact O-N 3.09Å; C102-F122 HydrophobicContact CB-CB 4.26Å; C102-F122 WeakPolarHBondContact O-CD2 3.5Å; C102-V123 HydrophobicContact CB-CG2 4.09Å
103	G	90.3	Very high	91.1	Very high	28 Å²	28	26.3 Å²	26.3	29%	0.289	15%	0.151	S	C	.	.	H	α-helix	trans	-64.4	-43.3	174.9	0	0	0	0	0	113.8	M99 S100 H106	M99-G103 PolarHBondContact O-N 3.24Å; S100-G103 PolarHBondContact O-N 2.62Å; G103-H106 PolarHBondContact O-CD2 2.85Å
104	A	90.1	Very high	91.2	Very high	46 Å²	46	22.4 Å²	22.4	38%	0.38	13%	0.134	S	C	.	.	H	α-helix	trans	-74.8	-29.3	-177.3	0	0	0	0	0	114.2	S100 F101	S100-A104 VanDerWaalsContact O-CB 3.26Å; S100-A104 WeakPolarHBondContact O-CB 3.45Å; S100-A104 PolarHBondContact O-N 3.29Å; F101-A104 PolarHBondContact O-N 2.88Å
105	L	91.1	Very high	91.1	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-110	-1.3	-174.5	-63.2	172	0	0	0	114.1	F75 F79 F101 V107 C323 P328 W331	F75-L105 HydrophobicContact CE1-CD1 4.05Å; F79-L105 HydrophobicContact CD2-CB 4.42Å; F79-L105 HydrophobicContact CD2-CD1 4.14Å; F79-L105 HydrophobicContact CE2-CB 3.94Å; F79-L105 HydrophobicContact CE2-CD1 4.15Å; F79-L105 HydrophobicContact CE2-CD2 4.27Å; F79-L105 HydrophobicContact CE2-CG 4.35Å; F79-L105 HydrophobicContact CG-CD1 4.36Å; F79-L105 HydrophobicContact CZ-CD1 4.39Å; F79-L105 HydrophobicContact CZ-CD2 3.99Å; F101-L105 HydrophobicContact CD1-CD1 4.04Å; F101-L105 WeakPolarHBondContact O-CB 3.46Å; F101-L105 PolarHBondContact O-N 2.97Å; L105-V107 VanDerWaalsContact C-N 3.34Å; L105-V107 HydrophobicContact CB-CG2 3.93Å; L105-V107 PolarHBondContact O-N 3.37Å; L105-C323 HydrophobicContact CD1-CB 4.17Å; L105-P328 HydrophobicContact CD2-CB 3.98Å; L105-W331 PolarHBondContact O-N 3.19Å
106	H	91.7	Very high	90.7	Very high	42 Å²	42	24.7 Å²	24.7	19%	0.194	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	44.1	-175.7	-62	-175.8	0	0	0	112.9	C102 G103 F122 P330 W331 G334	C102-H106 WeakPolarHBondContact O-CA 3.23Å; C102-H106 PolarHBondContact O-N 2.82Å; G103-H106 PolarHBondContact O-CD2 2.85Å; H106-F122 HydrophobicContact CB-CD1 4.11Å; H106-F122 HydrophobicContact CB-CE1 3.53Å; H106-F122 HydrophobicContact CB-CE2 4.25Å; H106-F122 HydrophobicContact CB-CZ 3.62Å; H106-F122 AromaticContact CD2-CE2 3.36Å; H106-F122 WeakPolarHBondContact CD2-CE2 3.45Å; H106-F122 AromaticContact CD2-CZ 3.23Å; H106-F122 WeakPolarHBondContact CD2-CZ 3.39Å; H106-F122 AromaticContact CG-CE1 3.74Å; H106-F122 AromaticContact CG-CE2 3.87Å; H106-F122 AromaticContact CG-CZ 3.29Å; H106-F122 AromaticContact ND1-CZ 3.83Å; H106-F122 AromaticContact NE2-CE2 3.99Å; H106-F122 AromaticContact NE2-CZ 3.78Å; H106-P330 HydrophobicContact CB-CB 4.38Å; H106-W331 WeakPolarHBondContact CB-O 3.44Å; H106-G334 WeakPolarHBondContact O-CA 3.19Å
107	V	91.9	Very high	89.8	Confident	3 Å²	3	24.1 Å²	24.1	2%	0.018	14%	0.141	C	C	.	.			trans	-102.4	118.7	179.8	-179.5	0	0	0	0	109.4	F75 F79 I86 C102 L105 F109	F75-V107 HydrophobicContact CZ-CB 4Å; F75-V107 HydrophobicContact CZ-CG1 4.17Å; F75-V107 HydrophobicContact CZ-CG2 4.24Å; F79-V107 HydrophobicContact CD2-CG2 3.76Å; F79-V107 HydrophobicContact CE2-CG2 4.03Å; I86-V107 HydrophobicContact CD1-CG1 3.89Å; I86-V107 HydrophobicContact CG1-CG1 4.09Å; C102-V107 WeakPolarHBondContact CB-O 3.22Å; C102-V107 PolarHBondContact O-N 3.09Å; L105-V107 VanDerWaalsContact C-N 3.34Å; L105-V107 HydrophobicContact CB-CG2 3.93Å; L105-V107 PolarHBondContact O-N 3.37Å; V107-F109 PolarHBondContact O-N 3.08Å
108	C	94.2	Very high	88.8	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.155	C	C	.	.			trans	-69.6	122.2	178.6	-63.5	0	0	0	0	112	A85 I86 F122 G334 I337 Q338 L341	A85-C108 WeakPolarHBondContact CA-O 3.09Å; A85-C108 HydrophobicContact CB-CB 4.39Å; I86-C108 PolarHBondContact N-O 3.27Å; C108-F122 CarbonylContact C-O 3.54Å; C108-F122 VanDerWaalsContact CA-O 3.26Å; C108-F122 WeakPolarHBondContact CA-O 3.16Å; C108-G334 PolarHBondContact SG-O 3.12Å; C108-I337 HydrophobicContact CB-CG2 4.27Å; C108-Q338 PolarHBondContact SG-N 3.18Å; C108-Q338 VanDerWaalsContact SG-N 3.45Å; C108-L341 HydrophobicContact CB-CD1 3.77Å
109	F	94.8	Very high	87.5	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.009	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.6	174.5	-166.4	-92.8	0	0	0	110.9	L32 I86 Y90 L98 V107 F122 V123 I124	L32-F109 HydrophobicContact CD1-CE2 4.24Å; I86-F109 HydrophobicContact CB-CD2 3.86Å; I86-F109 HydrophobicContact CB-CE2 4.34Å; I86-F109 HydrophobicContact CG2-CD2 3.68Å; I86-F109 HydrophobicContact CG2-CE2 3.63Å; I86-F109 CarbonylContact O-C 3.59Å; I86-F109 VanDerWaalsContact O-CA 3.29Å; I86-F109 WeakPolarHBondContact O-CA 3.38Å; Y90-F109 AromaticContact CD1-CE1 3.85Å; Y90-F109 HydrophobicContact CD1-CE1 3.85Å; Y90-F109 HydrophobicContact CE1-CE1 4.34Å; L98-F109 HydrophobicContact CD1-CE2 4.42Å; L98-F109 HydrophobicContact CD1-CZ 4.08Å; L98-F109 HydrophobicContact CD2-CE2 4.39Å; V107-F109 PolarHBondContact O-N 3.08Å; F109-F122 PolarHBondContact N-O 2.84Å; F109-V123 HydrophobicContact CB-CG2 4.09Å; F109-V123 HydrophobicContact CD1-CG1 4.46Å; F109-V123 CarbonylContact O-C 3.57Å; F109-V123 WeakPolarHBondContact O-CA 3.39Å; F109-I124 PolarHBondContact O-N 2.93Å
110	V	95.6	Very high	86.4	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.1	-179.2	178.5	0	0	0	0	108.5	I86 I87 G88 I124 L126 M300 L341	I86-V110 PolarHBondContact O-N 3.34Å; I87-V110 VanDerWaalsContact CA-O 3.32Å; I87-V110 WeakPolarHBondContact CA-O 3.35Å; I87-V110 HydrophobicContact CB-CB 4.41Å; I87-V110 HydrophobicContact CD1-CG1 4.34Å; I87-V110 HydrophobicContact CG1-CB 4.4Å; I87-V110 HydrophobicContact CG1-CG1 4.42Å; G88-V110 PolarHBondContact N-O 2.95Å; V110-I124 HydrophobicContact CG2-CB 4.26Å; V110-I124 HydrophobicContact CG2-CG1 4.43Å; V110-L126 HydrophobicContact CG1-CD1 3.82Å; V110-L126 HydrophobicContact CG1-CD2 4.1Å; V110-L126 HydrophobicContact CG1-CG 4.08Å; V110-M300 HydrophobicContact CB-SD 4.16Å; V110-M300 HydrophobicContact CG1-SD 4.38Å; V110-M300 HydrophobicContact CG2-CG 4Å; V110-M300 HydrophobicContact CG2-SD 4.04Å; V110-L341 HydrophobicContact CG2-CD1 4.32Å; V110-L341 HydrophobicContact CG2-CD2 4.44Å
111	T	93.8	Very high	86.1	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	139.7	-170.1	-164.1	0	0	0	0	116	G88 Y90 S113 I124 Q125 L126	G88-T111 WeakPolarHBondContact O-CA 3.48Å; G88-T111 VanDerWaalsContact O-CB 3.31Å; G88-T111 WeakPolarHBondContact O-CB 3.39Å; G88-T111 PolarHBondContact O-OG1 3.41Å; Y90-T111 HydrophobicContact CE1-CG2 3.66Å; T111-S113 WeakPolarHBondContact OG1-CB 3.29Å; T111-S113 PolarHBondContact OG1-N 2.89Å; T111-I124 PolarHBondContact N-O 3.22Å; T111-Q125 HydrophobicContact CG2-CG 4.21Å; T111-L126 WeakPolarHBondContact O-CB 3.43Å; T111-L126 WeakPolarHBondContact O-CG 3.35Å; T111-L126 PolarHBondContact O-N 3.41Å
112	P	93.6	Very high	86	Confident	2 Å²	2	30 Å²	30	1%	0.013	18%	0.178	C	C	.	.			trans	-96	7.5	167.2	38.8	-33.1	0	0	0	113.2	G88 L89 R127 L292	G88-P112 WeakPolarHBondContact O-CD 3.47Å; L89-P112 HydrophobicContact CD2-CG 3.77Å; P112-R127 PolarHBondContact O-NE 2.92Å; P112-R127 PolarHBondContact O-NH2 3.15Å; P112-L292 HydrophobicContact CB-CB 3.58Å; P112-L292 HydrophobicContact CB-CD1 4.28Å
113	S	90.4	Very high	86.1	Confident	6 Å²	6	30 Å²	30	4%	0.042	18%	0.178	C	C	.	.	S	Bend	trans	-64.6	177.9	171.7	-85.1	0	0	0	0	112.4	Y90 T111 R127	Y90-S113 PolarHBondContact N-OG 2.83Å; Y90-S113 PolarHBondContact O-OG 2.89Å; T111-S113 WeakPolarHBondContact OG1-CB 3.29Å; T111-S113 PolarHBondContact OG1-N 2.89Å; S113-R127 VanDerWaalsContact O-CB 3.24Å; S113-R127 WeakPolarHBondContact O-CB 3.07Å; S113-R127 PolarHBondContact O-NE 3.41Å; S113-R127 VanDerWaalsContact O-NE 3.14Å
114	F	87.9	Confident	86.3	Confident	36 Å²	36	28.7 Å²	28.7	16%	0.158	17%	0.165	C	C	.	.			trans	-62.5	146.6	178.4	56.5	-92.7	0	0	0	112.5	Y90 R92	Y90-F114 HydrophobicContact CD2-CE1 4.06Å; Y90-F114 HydrophobicContact CD2-CE2 4.44Å; Y90-F114 AromaticContact CD2-CZ 3.87Å; Y90-F114 HydrophobicContact CD2-CZ 3.87Å; Y90-F114 HydrophobicContact CE2-CD1 4.41Å; Y90-F114 HydrophobicContact CE2-CD2 4.24Å; Y90-F114 HydrophobicContact CE2-CE1 4.05Å; Y90-F114 AromaticContact CE2-CE2 3.86Å; Y90-F114 HydrophobicContact CE2-CE2 3.86Å; Y90-F114 HydrophobicContact CE2-CG 4.49Å; Y90-F114 AromaticContact CE2-CZ 3.74Å; Y90-F114 HydrophobicContact CE2-CZ 3.74Å; Y90-F114 PolarHBondContact OH-O 2.99Å; R92-F114 HydrophobicContact CB-CZ 3.96Å
115	P	87.5	Confident	86.4	Confident	23 Å²	23	26.7 Å²	26.7	15%	0.149	15%	0.147	C	C	.	.			trans	-70.1	162.6	177.8	29.8	-35.4	0	0	0	112.5	Q125 E129	P115-Q125 VanDerWaalsContact CA-OE1 3.28Å; P115-E129 HydrophobicContact CB-CG 3.82Å; P115-E129 HydrophobicContact CG-CG 3.63Å
116	I	80.7	Confident	86.6	Confident	30 Å²	30	26.8 Å²	26.8	15%	0.154	15%	0.148	C	C	.	.			trans	-139.4	136.2	-177.5	-33.2	161	0	0	0	109.4	Y90 V95 M99 T118 Q125	Y90-I116 HydrophobicContact CE2-CD1 4.44Å; V95-I116 HydrophobicContact CG2-CD1 3.3Å; V95-I116 HydrophobicContact CG2-CG1 4.35Å; M99-I116 HydrophobicContact SD-CD1 4.24Å; I116-T118 VanDerWaalsContact C-N 3.34Å; I116-T118 HydrophobicContact CG2-CG2 4.48Å; I116-T118 PolarHBondContact O-N 3.42Å; I116-Q125 VanDerWaalsContact N-OE1 3.13Å
117	E	69.5	Low	86.7	Confident	108 Å²	108	26.7 Å²	26.7	51%	0.505	15%	0.146	S	C	.	.			trans	-73.3	-20.9	-177.1	-56.8	-176.7	145.5	0	0	114.7
118	T	70.5	Confident	86.7	Confident	74 Å²	74	26.7 Å²	26.7	45%	0.454	15%	0.146	S	C	.	.	S	Bend	trans	-61.4	141	-175.7	54.1	0	0	0	0	111.3	I116 N120	I116-T118 VanDerWaalsContact C-N 3.34Å; I116-T118 HydrophobicContact CG2-CG2 4.48Å; I116-T118 PolarHBondContact O-N 3.42Å; T118-N120 VanDerWaalsContact C-N 3.33Å; T118-N120 WeakPolarHBondContact CB-OD1 3.3Å; T118-N120 PolarHBondContact O-N 3.01Å; T118-N120 PolarHBondContact O-ND2 2.95Å; T118-N120 PolarHBondContact O-OD1 3.35Å; T118-N120 VanDerWaalsContact OG1-CG 3.24Å; T118-N120 PolarHBondContact OG1-ND2 3.13Å; T118-N120 VanDerWaalsContact OG1-ND2 3.07Å; T118-N120 PolarHBondContact OG1-OD1 3.43Å
119	A	62.3	Low	86.5	Confident	80 Å²	80	28 Å²	28	66%	0.661	15%	0.152	S	C	*	.			trans	-71.7	88.2	-178.3	0	0	0	0	0	110.6
120	N	66.9	Low	86.3	Confident	17 Å²	17	28.8 Å²	28.8	9%	0.091	16%	0.156	C	C	.	.			trans	-96.8	127.4	-164.1	-74.1	-18.9	0	0	0	112.1	M99 T118	M99-N120 HydrophobicContact CE-CB 3.46Å; M99-N120 VanDerWaalsContact CE-CB 3.46Å; M99-N120 WeakPolarHBondContact CE-OD1 3.26Å; T118-N120 VanDerWaalsContact C-N 3.33Å; T118-N120 WeakPolarHBondContact CB-OD1 3.3Å; T118-N120 PolarHBondContact O-N 3.01Å; T118-N120 PolarHBondContact O-ND2 2.95Å; T118-N120 PolarHBondContact O-OD1 3.35Å; T118-N120 VanDerWaalsContact OG1-CG 3.24Å; T118-N120 PolarHBondContact OG1-ND2 3.13Å; T118-N120 VanDerWaalsContact OG1-ND2 3.07Å; T118-N120 PolarHBondContact OG1-OD1 3.43Å
121	Q	81.9	Confident	86.1	Confident	125 Å²	125	29.9 Å²	29.9	58%	0.584	16%	0.161	S	C	*	.	S	Bend	trans	-94.3	154.5	170.6	-64.3	-179	-10.4	0	0	110.3	V123	Q121-V123 PolarHBondContact O-N 3.24Å; Q121-V123 VanDerWaalsContact O-N 3.07Å
122	F	90.8	Very high	86	Confident	5 Å²	5	32.4 Å²	32.4	2%	0.022	18%	0.175	C	C	.	.	S	Bend	trans	55.8	15.8	179.6	-50.6	-83.5	0	0	0	116.9	C102 H106 C108 F109 I335 Q338	C102-F122 HydrophobicContact CB-CB 4.26Å; C102-F122 WeakPolarHBondContact O-CD2 3.5Å; H106-F122 HydrophobicContact CB-CD1 4.11Å; H106-F122 HydrophobicContact CB-CE1 3.53Å; H106-F122 HydrophobicContact CB-CE2 4.25Å; H106-F122 HydrophobicContact CB-CZ 3.62Å; H106-F122 AromaticContact CD2-CE2 3.36Å; H106-F122 WeakPolarHBondContact CD2-CE2 3.45Å; H106-F122 AromaticContact CD2-CZ 3.23Å; H106-F122 WeakPolarHBondContact CD2-CZ 3.39Å; H106-F122 AromaticContact CG-CE1 3.74Å; H106-F122 AromaticContact CG-CE2 3.87Å; H106-F122 AromaticContact CG-CZ 3.29Å; H106-F122 AromaticContact ND1-CZ 3.83Å; H106-F122 AromaticContact NE2-CE2 3.99Å; H106-F122 AromaticContact NE2-CZ 3.78Å; C108-F122 CarbonylContact C-O 3.54Å; C108-F122 VanDerWaalsContact CA-O 3.26Å; C108-F122 WeakPolarHBondContact CA-O 3.16Å; F109-F122 PolarHBondContact N-O 2.84Å; F122-I335 HydrophobicContact CE1-CG1 3.98Å; F122-I335 HydrophobicContact CZ-CG1 3.98Å; F122-Q338 HydrophobicContact CD1-CB 4.19Å
123	V	93.3	Very high	85.9	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.4	178.1	-178.4	0	0	0	0	111.8	M99 C102 F109 Q121 Q125	M99-V123 HydrophobicContact CE-CB 3.83Å; M99-V123 HydrophobicContact CE-CG1 4.5Å; M99-V123 HydrophobicContact CE-CG2 3.26Å; M99-V123 HydrophobicContact SD-CB 4.32Å; M99-V123 HydrophobicContact SD-CG1 4.38Å; M99-V123 HydrophobicContact SD-CG2 3.77Å; C102-V123 HydrophobicContact CB-CG2 4.09Å; F109-V123 HydrophobicContact CB-CG2 4.09Å; F109-V123 HydrophobicContact CD1-CG1 4.46Å; F109-V123 CarbonylContact O-C 3.57Å; F109-V123 WeakPolarHBondContact O-CA 3.39Å; Q121-V123 PolarHBondContact O-N 3.24Å; Q121-V123 VanDerWaalsContact O-N 3.07Å; V123-Q125 HydrophobicContact CG1-CG 4.44Å
124	I	93.7	Very high	86.1	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	113.2	-178.2	-52.4	-62.4	0	0	0	108.8	F109 V110 T111 L126 L341 Q342 F355 G359	F109-I124 PolarHBondContact O-N 2.93Å; V110-I124 HydrophobicContact CG2-CB 4.26Å; V110-I124 HydrophobicContact CG2-CG1 4.43Å; T111-I124 PolarHBondContact N-O 3.22Å; I124-L126 HydrophobicContact CG2-CD2 4.32Å; I124-L341 HydrophobicContact CD1-CB 4.04Å; I124-L341 HydrophobicContact CG1-CB 4Å; I124-L341 HydrophobicContact CG1-CD1 4.19Å; I124-Q342 HydrophobicContact CD1-CG 3.74Å; I124-F355 HydrophobicContact CG2-CD1 3.84Å; I124-F355 HydrophobicContact CG2-CD2 4.43Å; I124-F355 HydrophobicContact CG2-CE1 3.48Å; I124-F355 VanDerWaalsContact CG2-CE1 3.48Å; I124-F355 HydrophobicContact CG2-CE2 4.12Å; I124-F355 HydrophobicContact CG2-CG 4.31Å; I124-F355 HydrophobicContact CG2-CZ 3.64Å; I124-G359 WeakPolarHBondContact CA-O 3.4Å
125	Q	93.3	Very high	86.4	Confident	4 Å²	4	30.8 Å²	30.8	2%	0.019	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	110.4	-177.7	-64.6	174.2	3.6	0	0	109.5	T111 P115 I116 V123 G359 R361	T111-Q125 HydrophobicContact CG2-CG 4.21Å; P115-Q125 VanDerWaalsContact CA-OE1 3.28Å; I116-Q125 VanDerWaalsContact N-OE1 3.13Å; V123-Q125 HydrophobicContact CG1-CG 4.44Å; Q125-G359 PolarHBondContact N-O 3.45Å; Q125-R361 PolarHBondContact O-N 3.43Å
126	L	94.3	Very high	86.5	Confident	3 Å²	3	30.3 Å²	30.3	2%	0.016	17%	0.166	C	C	.	.			trans	-80.4	-27.9	-176.5	-56.2	173.7	0	0	0	112.6	V110 T111 I124 L292 G296 F355 R361	V110-L126 HydrophobicContact CG1-CD1 3.82Å; V110-L126 HydrophobicContact CG1-CD2 4.1Å; V110-L126 HydrophobicContact CG1-CG 4.08Å; T111-L126 WeakPolarHBondContact O-CB 3.43Å; T111-L126 WeakPolarHBondContact O-CG 3.35Å; T111-L126 PolarHBondContact O-N 3.41Å; I124-L126 HydrophobicContact CG2-CD2 4.32Å; L126-L292 HydrophobicContact CB-CD2 4.07Å; L126-L292 VanDerWaalsContact CD1-O 3.29Å; L126-L292 WeakPolarHBondContact CD1-O 3.43Å; L126-L292 VanDerWaalsContact O-CD2 3.26Å; L126-L292 WeakPolarHBondContact O-CD2 3.42Å; L126-G296 VanDerWaalsContact CD1-CA 3.43Å; L126-F355 HydrophobicContact CD2-CE1 4.09Å; L126-F355 HydrophobicContact CD2-CZ 3.76Å; L126-R361 WeakPolarHBondContact O-CD 3.25Å; L126-R361 PolarHBondContact O-NH1 2.85Å
127	R	93.3	Very high	87.1	Confident	41 Å²	41	28.9 Å²	28.9	16%	0.155	16%	0.159	C	C	.	.	S	Bend	trans	-76.4	125.7	178.6	-166.2	-172.3	-57.7	-153.5	-6	109.5	P112 S113 L234 Y288 M289 L292	P112-R127 PolarHBondContact O-NE 2.92Å; P112-R127 PolarHBondContact O-NH2 3.15Å; S113-R127 VanDerWaalsContact O-CB 3.24Å; S113-R127 WeakPolarHBondContact O-CB 3.07Å; S113-R127 PolarHBondContact O-NE 3.41Å; S113-R127 VanDerWaalsContact O-NE 3.14Å; R127-L234 HydrophobicContact CG-CD1 3.65Å; R127-Y288 PolarHBondContact NH1-OH 3.44Å; R127-Y288 VanDerWaalsContact NH1-OH 3.14Å; R127-M289 PolarHBondContact NH2-SD 2.68Å; R127-M289 VanDerWaalsContact NH2-SD 3.37Å; R127-L292 HydrophobicContact CB-CD1 4.03Å; R127-L292 HydrophobicContact CG-CD1 4.1Å
128	P	92.3	Very high	88.3	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.013	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-70.4	164.8	173.8	28.2	-33.2	0	0	0	112.9	L234 L256 Y364	P128-L234 HydrophobicContact CG-CD1 4Å; P128-L256 HydrophobicContact CG-CD1 4.05Å; P128-L256 HydrophobicContact CG-CD2 4.08Å; P128-Y364 HydrophobicContact CB-CD1 3.7Å; P128-Y364 HydrophobicContact CB-CD2 3.44Å; P128-Y364 VanDerWaalsContact CB-CD2 3.44Å; P128-Y364 HydrophobicContact CB-CE1 3.64Å; P128-Y364 HydrophobicContact CB-CE2 3.38Å; P128-Y364 HydrophobicContact CB-CG 3.59Å; P128-Y364 VanDerWaalsContact CB-CZ 3.49Å; P128-Y364 HydrophobicContact CG-CD2 4.04Å; P128-Y364 HydrophobicContact CG-CE2 4.22Å; P128-Y364 HydrophobicContact CG-CG 4.38Å
129	E	89.9	Confident	89.3	Confident	29 Å²	29	24.5 Å²	24.5	14%	0.136	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-79.5	132.5	174.2	-75.4	167	-168	0	0	110.5	P115 R360 Y364	P115-E129 HydrophobicContact CB-CG 3.82Å; P115-E129 HydrophobicContact CG-CG 3.63Å; E129-R360 WeakPolarHBondContact OE1-CD 3.49Å; E129-R360 IonicContact OE1-CZ 2.68Å; E129-R360 IonicContact OE1-NE 3.3Å; E129-R360 IonicContact OE1-NH1 3.57Å; E129-R360 PolarHBondContact OE1-NH1 2.87Å; E129-R360 IonicContact OE2-CZ 2.66Å; E129-R360 IonicContact OE2-NH1 2.65Å; E129-R360 PolarHBondContact OE2-NH1 3.14Å; E129-Y364 PolarHBondContact N-OH 3.29Å; E129-Y364 PolarHBondContact O-OH 3.49Å
130	L	91.2	Very high	90.6	Very high	18 Å²	18	25 Å²	25	9%	0.094	12%	0.122	C	C	.	.			trans	-94.6	-18.6	-175.8	-175.7	58.1	0	0	0	113.1	D132 A133 L134 A232 L234 F254	L130-D132 PolarHBondContact O-N 2.91Å; L130-A133 HydrophobicContact CD1-CB 4.34Å; L130-A133 PolarHBondContact O-N 2.96Å; L130-L134 WeakPolarHBondContact O-CB 3.45Å; L130-L134 PolarHBondContact O-N 3.2Å; L130-A232 HydrophobicContact CD2-CB 4.17Å; L130-A232 VanDerWaalsContact CD2-O 3.25Å; L130-A232 WeakPolarHBondContact CD2-O 3.49Å; L130-L234 HydrophobicContact CD1-CD2 3.96Å; L130-F254 HydrophobicContact CD1-CB 4.1Å; L130-F254 HydrophobicContact CD1-CD1 3.92Å; L130-F254 HydrophobicContact CD1-CD2 3.83Å; L130-F254 HydrophobicContact CD1-CE1 4.32Å; L130-F254 HydrophobicContact CD1-CE2 4.26Å; L130-F254 HydrophobicContact CD1-CG 3.67Å; L130-F254 HydrophobicContact CD1-CZ 4.5Å; L130-F254 HydrophobicContact CD2-CD2 4.42Å
131	Q	91.1	Very high	91.7	Very high	22 Å²	22	27.2 Å²	27.2	10%	0.103	13%	0.129	C	C	.	.	H	α-helix	trans	-59.1	-48.9	-167	68.9	-159.1	19	0	0	114.3	A133 L134 V135 V158 K161	Q131-A133 VanDerWaalsContact C-N 3.32Å; Q131-A133 PolarHBondContact O-N 3.26Å; Q131-L134 PolarHBondContact O-N 2.98Å; Q131-V135 WeakPolarHBondContact O-CG2 3.29Å; Q131-V135 PolarHBondContact O-N 3.17Å; Q131-V158 HydrophobicContact CB-CG1 4.23Å; Q131-K161 HydrophobicContact CB-CB 4.09Å; Q131-K161 HydrophobicContact CB-CG 3.85Å; Q131-K161 HydrophobicContact CG-CB 4.4Å; Q131-K161 HydrophobicContact CG-CG 3.87Å
132	D	91.1	Very high	92	Very high	54 Å²	54	24.1 Å²	24.1	29%	0.289	13%	0.131	S	C	.	.	H	α-helix	trans	-76.3	-23.6	-177.2	-59	-74.5	0	0	0	111.9	L130 G136 K161 W382	L130-D132 PolarHBondContact O-N 2.91Å; D132-G136 PolarHBondContact O-N 3.14Å; D132-K161 WeakPolarHBondContact OD1-CE 3.47Å; D132-K161 IonicContact OD1-NZ 3.65Å; D132-W382 HydrophobicContact CB-CH2 4.2Å; D132-W382 HydrophobicContact CB-CZ2 3.62Å; D132-W382 PolarHBondContact O-NE1 2.79Å; D132-W382 VanDerWaalsContact O-NE1 3.17Å
133	A	92.6	Very high	92.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-72.6	-40.3	169.3	0	0	0	0	0	112.3	L130 Q131 G136 V137 F254 W382	L130-A133 HydrophobicContact CD1-CB 4.34Å; L130-A133 PolarHBondContact O-N 2.96Å; Q131-A133 VanDerWaalsContact C-N 3.32Å; Q131-A133 PolarHBondContact O-N 3.26Å; A133-G136 PolarHBondContact O-N 3.28Å; A133-V137 WeakPolarHBondContact O-CG2 3.48Å; A133-V137 PolarHBondContact O-N 3.05Å; A133-V137 VanDerWaalsContact O-N 3.16Å; A133-F254 HydrophobicContact CB-CE1 4.23Å; A133-W382 HydrophobicContact CB-CB 4.04Å; A133-W382 HydrophobicContact CB-CD2 3.59Å; A133-W382 HydrophobicContact CB-CE3 3.92Å; A133-W382 HydrophobicContact CB-CG 3.65Å
134	L	94.1	Very high	91.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.2	-47.8	174	179.9	61.8	0	0	0	111.2	L130 Q131 G136 V137 I138 Y148 V158 V162 I202 I230 A232 F254	L130-L134 WeakPolarHBondContact O-CB 3.45Å; L130-L134 PolarHBondContact O-N 3.2Å; Q131-L134 PolarHBondContact O-N 2.98Å; L134-G136 VanDerWaalsContact C-N 3.34Å; L134-G136 PolarHBondContact O-N 3.09Å; L134-V137 PolarHBondContact O-N 2.95Å; L134-V137 VanDerWaalsContact O-N 3.13Å; L134-I138 HydrophobicContact CD1-CD1 4.44Å; L134-I138 HydrophobicContact CG-CD1 4.08Å; L134-I138 WeakPolarHBondContact O-CG1 3.01Å; L134-I138 PolarHBondContact O-N 3.25Å; L134-Y148 HydrophobicContact CD2-CE2 4.05Å; L134-V158 HydrophobicContact CD2-CG1 3.71Å; L134-V162 HydrophobicContact CD2-CG2 4.22Å; L134-I202 HydrophobicContact CD1-CG2 4.27Å; L134-I202 HydrophobicContact CD2-CG2 4.31Å; L134-I230 HydrophobicContact CD1-CG2 3.76Å; L134-A232 HydrophobicContact CD2-CB 4.24Å; L134-F254 HydrophobicContact CB-CZ 4.38Å; L134-F254 HydrophobicContact CD1-CE2 4.02Å; L134-F254 HydrophobicContact CD1-CZ 4.08Å
135	V	93.4	Very high	91.6	Very high	10 Å²	10	33.3 Å²	33.3	6%	0.061	18%	0.176	C	C	.	.	H	α-helix	trans	-57	-45.5	174.2	165.6	0	0	0	0	111.3	Q131 V137 I138 E139 V162 T165 W171	Q131-V135 WeakPolarHBondContact O-CG2 3.29Å; Q131-V135 PolarHBondContact O-N 3.17Å; V135-V137 VanDerWaalsContact C-N 3.27Å; V135-V137 PolarHBondContact O-N 3.41Å; V135-I138 PolarHBondContact O-N 2.85Å; V135-E139 WeakPolarHBondContact CG1-OE1 3.44Å; V135-E139 WeakPolarHBondContact O-CG 2.96Å; V135-E139 PolarHBondContact O-N 2.97Å; V135-V162 HydrophobicContact CG2-CG2 4.2Å; V135-T165 HydrophobicContact CG1-CG2 3.95Å; V135-T165 HydrophobicContact CG2-CG2 4.48Å; V135-W171 HydrophobicContact CG1-CH2 4.43Å
136	G	91.5	Very high	91.5	Very high	12 Å²	12	33.1 Å²	33.1	12%	0.124	18%	0.175	C	C	.	.	H	α-helix	trans	-59.6	-32.3	176.1	0	0	0	0	0	114.5	D132 A133 L134 H140	D132-G136 PolarHBondContact O-N 3.14Å; A133-G136 PolarHBondContact O-N 3.28Å; L134-G136 VanDerWaalsContact C-N 3.34Å; L134-G136 PolarHBondContact O-N 3.09Å; G136-H140 WeakPolarHBondContact O-CB 3.47Å; G136-H140 PolarHBondContact O-N 3.46Å; G136-H140 VanDerWaalsContact O-N 3.08Å
137	V	93	Very high	91.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-78	-39.9	175.7	172.3	0	0	0	0	112.1	A133 L134 V135 E139 H140 Y141 I230 F254 V368 Y388	A133-V137 WeakPolarHBondContact O-CG2 3.48Å; A133-V137 PolarHBondContact O-N 3.05Å; A133-V137 VanDerWaalsContact O-N 3.16Å; L134-V137 PolarHBondContact O-N 2.95Å; L134-V137 VanDerWaalsContact O-N 3.13Å; V135-V137 VanDerWaalsContact C-N 3.27Å; V135-V137 PolarHBondContact O-N 3.41Å; V137-E139 VanDerWaalsContact C-N 3.28Å; V137-E139 PolarHBondContact O-N 3.41Å; V137-H140 PolarHBondContact O-N 3.1Å; V137-Y141 HydrophobicContact CG1-CD2 3.74Å; V137-Y141 HydrophobicContact CG1-CE2 3.62Å; V137-Y141 VanDerWaalsContact O-CD2 3.3Å; V137-Y141 WeakPolarHBondContact O-CD2 3.43Å; V137-Y141 PolarHBondContact O-N 2.64Å; V137-Y141 VanDerWaalsContact O-N 3.1Å; V137-I230 HydrophobicContact CG1-CD1 4.33Å; V137-F254 HydrophobicContact CB-CZ 4.22Å; V137-F254 HydrophobicContact CG2-CE1 3.75Å; V137-F254 HydrophobicContact CG2-CZ 3.91Å; V137-V368 HydrophobicContact CG2-CG1 4.12Å; V137-V368 HydrophobicContact CG2-CG2 3.91Å; V137-Y388 HydrophobicContact CG2-CD2 3.84Å; V137-Y388 HydrophobicContact CG2-CE2 3.99Å
138	I	93.5	Very high	91.3	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58	-43.5	172.9	-65.4	165.9	0	0	0	110.1	L134 V135 Y141 G142 W143 F146 W171 I202 I230	L134-I138 HydrophobicContact CD1-CD1 4.44Å; L134-I138 HydrophobicContact CG-CD1 4.08Å; L134-I138 WeakPolarHBondContact O-CG1 3.01Å; L134-I138 PolarHBondContact O-N 3.25Å; V135-I138 PolarHBondContact O-N 2.85Å; I138-Y141 PolarHBondContact O-N 2.87Å; I138-G142 PolarHBondContact O-N 2.92Å; I138-W143 HydrophobicContact CG2-CB 3.83Å; I138-W143 PolarHBondContact O-N 2.61Å; I138-W143 VanDerWaalsContact O-N 3.14Å; I138-F146 HydrophobicContact CD1-CE2 4.41Å; I138-F146 HydrophobicContact CD1-CZ 4.04Å; I138-F146 HydrophobicContact CG2-CD1 4.5Å; I138-F146 HydrophobicContact CG2-CE1 3.72Å; I138-F146 HydrophobicContact CG2-CZ 4.09Å; I138-W171 HydrophobicContact CB-CH2 4.2Å; I138-W171 HydrophobicContact CG2-CE3 4.26Å; I138-W171 HydrophobicContact CG2-CH2 3.59Å; I138-W171 HydrophobicContact CG2-CZ2 3.9Å; I138-W171 HydrophobicContact CG2-CZ3 3.8Å; I138-I202 HydrophobicContact CD1-CD1 3.58Å; I138-I202 HydrophobicContact CG1-CD1 3.9Å; I138-I230 HydrophobicContact CG1-CD1 4.31Å
139	E	91.5	Very high	91.2	Very high	90 Å²	90	30.9 Å²	30.9	42%	0.421	17%	0.166	S	C	.	.	H	α-helix	trans	-64.5	-42.4	175.1	-72.1	-177.8	-137.6	0	0	112.7	V135 V137 Y141 G142 K169 W171	V135-E139 WeakPolarHBondContact CG1-OE1 3.44Å; V135-E139 WeakPolarHBondContact O-CG 2.96Å; V135-E139 PolarHBondContact O-N 2.97Å; V137-E139 VanDerWaalsContact C-N 3.28Å; V137-E139 PolarHBondContact O-N 3.41Å; E139-Y141 VanDerWaalsContact C-N 3.3Å; E139-Y141 PolarHBondContact O-N 3.03Å; E139-G142 PolarHBondContact O-N 2.97Å; E139-K169 IonicContact OE1-NZ 2.82Å; E139-K169 PolarHBondContact OE1-NZ 3.29Å; E139-K169 IonicContact OE2-NZ 2.61Å; E139-K169 PolarHBondContact OE2-NZ 2.88Å; E139-W171 HydrophobicContact CG-CH2 4.01Å; E139-W171 HydrophobicContact CG-CZ2 3.89Å
140	H	89.9	Confident	91.1	Very high	91 Å²	91	31.4 Å²	31.4	42%	0.421	17%	0.167	S	C	.	.	H	α-helix	trans	-60.9	-37.5	177.9	-179.5	55.9	0	0	0	113.1	G136 V137 G142 Y388	G136-H140 WeakPolarHBondContact O-CB 3.47Å; G136-H140 PolarHBondContact O-N 3.46Å; G136-H140 VanDerWaalsContact O-N 3.08Å; V137-H140 PolarHBondContact O-N 3.1Å; H140-G142 VanDerWaalsContact C-N 3.3Å; H140-Y388 HydrophobicContact CB-CD1 3.76Å; H140-Y388 HydrophobicContact CB-CE1 3.77Å; H140-Y388 HydrophobicContact CB-CG 4.5Å; H140-Y388 AromaticContact CD2-CE1 3.27Å; H140-Y388 WeakPolarHBondContact CD2-CE1 3.32Å; H140-Y388 AromaticContact CD2-CZ 3.63Å; H140-Y388 PolarHBondContact CD2-OH 2.62Å; H140-Y388 AromaticContact CE1-CE1 3.76Å; H140-Y388 AromaticContact CG-CD1 3.7Å; H140-Y388 AromaticContact CG-CE1 3.24Å; H140-Y388 AromaticContact ND1-CD1 4Å; H140-Y388 AromaticContact ND1-CE1 3.56Å; H140-Y388 AromaticContact NE2-CE1 3.59Å
141	Y	89.8	Confident	90.8	Very high	64 Å²	64	30.5 Å²	30.5	25%	0.251	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-0.1	175.8	-70.5	-62.9	0	0	0	114	V137 I138 E139 W143 H228 T252	V137-Y141 HydrophobicContact CG1-CD2 3.74Å; V137-Y141 HydrophobicContact CG1-CE2 3.62Å; V137-Y141 VanDerWaalsContact O-CD2 3.3Å; V137-Y141 WeakPolarHBondContact O-CD2 3.43Å; V137-Y141 PolarHBondContact O-N 2.64Å; V137-Y141 VanDerWaalsContact O-N 3.1Å; I138-Y141 PolarHBondContact O-N 2.87Å; E139-Y141 VanDerWaalsContact C-N 3.3Å; E139-Y141 PolarHBondContact O-N 3.03Å; Y141-W143 PolarHBondContact O-N 2.96Å; Y141-H228 AromaticContact CD1-CE1 3.89Å; Y141-H228 AromaticContact CD2-CE1 3.9Å; Y141-H228 AromaticContact CE1-CE1 3.8Å; Y141-H228 AromaticContact CE2-CE1 3.81Å; Y141-H228 AromaticContact CG-CE1 3.96Å; Y141-H228 AromaticContact CZ-CE1 3.78Å; Y141-T252 HydrophobicContact CE2-CG2 4.03Å; Y141-T252 VanDerWaalsContact OH-CG2 3.3Å; Y141-T252 WeakPolarHBondContact OH-CG2 3.31Å
142	G	89	Confident	90.1	Very high	60 Å²	60	31 Å²	31	62%	0.619	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	25.1	178.9	0	0	0	0	0	114	I138 E139 H140 N144	I138-G142 PolarHBondContact O-N 2.92Å; E139-G142 PolarHBondContact O-N 2.97Å; H140-G142 VanDerWaalsContact C-N 3.3Å; G142-N144 PolarHBondContact O-N 2.71Å
143	W	91.9	Very high	89.2	Confident	14 Å²	14	29.7 Å²	29.7	5%	0.053	16%	0.161	C	C	.	.			trans	-70.8	114.9	-172.6	-83.9	18.2	0	0	0	112.3	I138 Y141 F146 W171 N200 I202 H228 I230	I138-W143 HydrophobicContact CG2-CB 3.83Å; I138-W143 PolarHBondContact O-N 2.61Å; I138-W143 VanDerWaalsContact O-N 3.14Å; Y141-W143 PolarHBondContact O-N 2.96Å; W143-F146 HydrophobicContact CB-CD1 4.08Å; W143-F146 HydrophobicContact CB-CE1 4.44Å; W143-F146 HydrophobicContact CE3-CB 3.74Å; W143-F146 AromaticContact CE3-CD1 3.96Å; W143-F146 HydrophobicContact CE3-CD1 3.96Å; W143-F146 AromaticContact CE3-CG 3.92Å; W143-F146 HydrophobicContact CE3-CG 3.92Å; W143-F146 HydrophobicContact CZ3-CB 3.94Å; W143-F146 HydrophobicContact CZ3-CG 4.39Å; W143-W171 PolarHBondContact O-NE1 2.97Å; W143-N200 HydrophobicContact CD2-CB 3.98Å; W143-N200 HydrophobicContact CE3-CB 3.97Å; W143-N200 HydrophobicContact CH2-CB 3.6Å; W143-N200 HydrophobicContact CZ2-CB 3.6Å; W143-N200 VanDerWaalsContact CZ2-CG 3.5Å; W143-N200 WeakPolarHBondContact CZ2-OD1 3.45Å; W143-N200 HydrophobicContact CZ3-CB 3.78Å; W143-I202 HydrophobicContact CE3-CD1 4.5Å; W143-I202 HydrophobicContact CE3-CG1 4.5Å; W143-I202 HydrophobicContact CZ3-CD1 4.23Å; W143-I202 HydrophobicContact CZ3-CG1 3.77Å; W143-H228 WeakPolarHBondContact CH2-O 3.38Å; W143-H228 HydrophobicContact CZ2-CB 3.93Å; W143-H228 AromaticContact CZ2-CG 3.68Å; W143-H228 AromaticContact CZ2-ND1 3.55Å; W143-I230 HydrophobicContact CE3-CD1 3.91Å; W143-I230 HydrophobicContact CH2-CD1 3.72Å; W143-I230 HydrophobicContact CH2-CG1 3.61Å; W143-I230 HydrophobicContact CZ2-CD1 4.34Å; W143-I230 HydrophobicContact CZ2-CG1 4.36Å; W143-I230 HydrophobicContact CZ3-CD1 3.47Å; W143-I230 VanDerWaalsContact CZ3-CD1 3.47Å; W143-I230 HydrophobicContact CZ3-CG1 3.8Å
144	N	87.4	Confident	88	Confident	111 Å²	111	30.9 Å²	30.9	59%	0.594	17%	0.169	S	C	*	.	S	Bend	trans	-101.7	-15.1	174.8	64.6	2.3	0	0	0	113.8	G142 W171 L172	G142-N144 PolarHBondContact O-N 2.71Å; N144-W171 WeakPolarHBondContact O-CA 3.43Å; N144-L172 PolarHBondContact O-N 3.2Å
145	K	89	Confident	86.6	Confident	74 Å²	74	30.9 Å²	30.9	32%	0.322	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	128.5	-179.6	-171.1	174.8	-155.5	-152.7	0	111	L172 E198 N200	K145-L172 WeakPolarHBondContact CA-O 3.4Å; K145-L172 HydrophobicContact CB-CB 4.19Å; K145-L172 HydrophobicContact CD-CB 4.3Å; K145-L172 HydrophobicContact CD-CD1 4.3Å; K145-L172 HydrophobicContact CG-CB 3.84Å; K145-E198 HydrophobicContact CD-CG 4.42Å; K145-E198 WeakPolarHBondContact CE-OE1 3.37Å; K145-E198 IonicContact NZ-OE1 2.68Å; K145-E198 PolarHBondContact NZ-OE1 3.43Å; K145-N200 PolarHBondContact O-ND2 3.23Å
146	F	91.9	Very high	85.9	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	160	-179	52.4	-90.9	0	0	0	112.3	I138 W143 V162 W171 L172 V173 T174 N200 I202	I138-F146 HydrophobicContact CD1-CE2 4.41Å; I138-F146 HydrophobicContact CD1-CZ 4.04Å; I138-F146 HydrophobicContact CG2-CD1 4.5Å; I138-F146 HydrophobicContact CG2-CE1 3.72Å; I138-F146 HydrophobicContact CG2-CZ 4.09Å; W143-F146 HydrophobicContact CB-CD1 4.08Å; W143-F146 HydrophobicContact CB-CE1 4.44Å; W143-F146 HydrophobicContact CE3-CB 3.74Å; W143-F146 AromaticContact CE3-CD1 3.96Å; W143-F146 HydrophobicContact CE3-CD1 3.96Å; W143-F146 AromaticContact CE3-CG 3.92Å; W143-F146 HydrophobicContact CE3-CG 3.92Å; W143-F146 HydrophobicContact CZ3-CB 3.94Å; W143-F146 HydrophobicContact CZ3-CG 4.39Å; F146-V162 HydrophobicContact CE2-CG1 4.13Å; F146-V162 HydrophobicContact CZ-CG1 4.22Å; F146-W171 HydrophobicContact CE1-CB 4.4Å; F146-W171 HydrophobicContact CE1-CD2 4.3Å; F146-W171 HydrophobicContact CE1-CE3 4.13Å; F146-W171 HydrophobicContact CE1-CG 4.48Å; F146-W171 HydrophobicContact CZ-CE3 4.01Å; F146-L172 PolarHBondContact N-O 3.1Å; F146-V173 HydrophobicContact CD2-CG1 4.21Å; F146-V173 HydrophobicContact CD2-CG2 4.36Å; F146-V173 HydrophobicContact CE1-CG2 4.12Å; F146-V173 HydrophobicContact CE2-CB 4.29Å; F146-V173 HydrophobicContact CE2-CG1 3.81Å; F146-V173 HydrophobicContact CE2-CG2 3.63Å; F146-V173 HydrophobicContact CZ-CG2 3.49Å; F146-V173 VanDerWaalsContact CZ-CG2 3.49Å; F146-V173 WeakPolarHBondContact O-CA 3.37Å; F146-T174 PolarHBondContact O-N 3.11Å; F146-T174 VanDerWaalsContact O-N 3.07Å; F146-N200 WeakPolarHBondContact CA-O 3.31Å; F146-N200 HydrophobicContact CB-CB 3.82Å; F146-N200 WeakPolarHBondContact CB-O 3.42Å; F146-I202 HydrophobicContact CD2-CD1 3.62Å; F146-I202 HydrophobicContact CD2-CG1 4.06Å; F146-I202 HydrophobicContact CE2-CD1 3.64Å; F146-I202 HydrophobicContact CG-CD1 4.36Å; F146-I202 HydrophobicContact CZ-CD1 4.38Å
147	V	91.1	Very high	85.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	135	172.3	179.6	0	0	0	0	110	M149 T174 V176 L193 E198 N200 I201 I202	V147-M149 HydrophobicContact CG1-CG 4.39Å; V147-T174 CarbonylContact C-O 3.54Å; V147-T174 WeakPolarHBondContact CA-O 3.32Å; V147-T174 WeakPolarHBondContact CG1-O 3.46Å; V147-V176 HydrophobicContact CG1-CG2 3.93Å; V147-L193 HydrophobicContact CB-CD2 4.08Å; V147-L193 HydrophobicContact CG1-CD2 4.31Å; V147-L193 HydrophobicContact CG2-CD2 3.48Å; V147-L193 VanDerWaalsContact CG2-CD2 3.48Å; V147-E198 WeakPolarHBondContact CG2-OE2 3.41Å; V147-N200 PolarHBondContact N-O 2.93Å; V147-I201 WeakPolarHBondContact O-CA 3.49Å; V147-I202 PolarHBondContact O-N 3.1Å
148	Y	91.9	Very high	85.3	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	101.7	178.5	-164.4	-76	0	0	0	109.8	L134 Y150 V158 L159 V162 T174 S175 V176 I202 D204	L134-Y148 HydrophobicContact CD2-CE2 4.05Å; Y148-Y150 HydrophobicContact CD1-CD1 4.41Å; Y148-V158 VanDerWaalsContact OH-CG1 3.22Å; Y148-V158 WeakPolarHBondContact OH-CG1 3.12Å; Y148-L159 HydrophobicContact CD1-CB 4.41Å; Y148-L159 HydrophobicContact CD1-CD1 3.71Å; Y148-L159 HydrophobicContact CD1-CG 4.47Å; Y148-L159 HydrophobicContact CE1-CB 3.9Å; Y148-L159 HydrophobicContact CE1-CD1 4.05Å; Y148-L159 HydrophobicContact CE1-CG 4.44Å; Y148-L159 HydrophobicContact CG-CD1 3.98Å; Y148-V162 HydrophobicContact CD2-CG1 4.24Å; Y148-V162 HydrophobicContact CE2-CB 4.45Å; Y148-V162 HydrophobicContact CE2-CG1 4.34Å; Y148-V162 HydrophobicContact CE2-CG2 4.19Å; Y148-T174 PolarHBondContact N-O 2.81Å; Y148-S175 CarbonylContact O-C 3.54Å; Y148-S175 WeakPolarHBondContact O-CA 3.26Å; Y148-V176 PolarHBondContact O-N 3.45Å; Y148-I202 HydrophobicContact CD2-CB 3.96Å; Y148-I202 HydrophobicContact CD2-CD1 4.17Å; Y148-I202 HydrophobicContact CD2-CG2 3.92Å; Y148-I202 HydrophobicContact CE2-CB 4.39Å; Y148-I202 HydrophobicContact CE2-CG2 3.83Å; Y148-D204 HydrophobicContact CE1-CB 3.8Å; Y148-D204 PolarHBondContact OH-OD2 3.38Å
149	M	89.4	Confident	85.1	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	124.2	175.3	-64.9	-174	-178.8	0	0	109.7	V147 V176 V178 F186 V189 L193 I201 I202 I203 D204	V147-M149 HydrophobicContact CG1-CG 4.39Å; M149-V176 CarbonylContact C-O 3.6Å; M149-V176 WeakPolarHBondContact CA-O 3.36Å; M149-V178 HydrophobicContact CB-CG2 3.9Å; M149-F186 HydrophobicContact SD-CE2 4.44Å; M149-F186 HydrophobicContact SD-CZ 4.46Å; M149-V189 HydrophobicContact CE-CG1 4.05Å; M149-L193 HydrophobicContact CE-CD1 3.66Å; M149-I201 HydrophobicContact CE-CD1 4.42Å; M149-I201 HydrophobicContact CE-CG2 3.9Å; M149-I201 HydrophobicContact CG-CG2 4.18Å; M149-I201 HydrophobicContact SD-CG2 4Å; M149-I202 PolarHBondContact N-O 3.46Å; M149-I203 HydrophobicContact CB-CG1 4.46Å; M149-I203 HydrophobicContact SD-CG1 4.43Å; M149-D204 PolarHBondContact O-N 3.21Å
150	Y	88.9	Confident	85	Confident	39 Å²	39	36.3 Å²	36.3	15%	0.153	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	161.4	-174.6	75.2	-83.2	0	0	0	114.2	Y148 L159 V176 N177 V178 D204	Y148-Y150 HydrophobicContact CD1-CD1 4.41Å; Y150-L159 HydrophobicContact CD1-CD2 3.71Å; Y150-L159 HydrophobicContact CD2-CD2 4.16Å; Y150-L159 HydrophobicContact CE1-CD2 3.66Å; Y150-L159 HydrophobicContact CE2-CD2 4.13Å; Y150-L159 HydrophobicContact CG-CD2 3.96Å; Y150-V176 WeakPolarHBondContact CD1-O 3.25Å; Y150-V176 PolarHBondContact N-O 2.71Å; Y150-N177 HydrophobicContact CE1-CB 4.06Å; Y150-N177 HydrophobicContact CE2-CB 4.18Å; Y150-N177 CarbonylContact O-C 3.36Å; Y150-N177 WeakPolarHBondContact O-CA 3.42Å; Y150-N177 PolarHBondContact O-OD1 3.01Å; Y150-V178 PolarHBondContact O-N 3.47Å; Y150-D204 WeakPolarHBondContact CA-O 3.4Å
151	S	85.1	Confident	85	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.			trans	-115.9	134.3	165	172.7	0	0	0	0	110.3	D153 S154 G155 D204 R209	S151-D153 VanDerWaalsContact C-N 3.26Å; S151-D153 PolarHBondContact O-N 3.35Å; S151-S154 PolarHBondContact O-N 3.41Å; S151-G155 PolarHBondContact O-N 3.37Å; S151-D204 PolarHBondContact N-O 3.42Å; S151-D204 VanDerWaalsContact N-O 3.15Å; S151-R209 PolarHBondContact OG-NH1 3.16Å
152	S	76.4	Confident	85.1	Confident	32 Å²	32	32.3 Å²	32.3	22%	0.224	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-23.3	-177.5	-37.5	0	0	0	0	113.4	R92 S154 N177 E179	R92-S152 WeakPolarHBondContact CD-O 3.4Å; R92-S152 PolarHBondContact NE-O 2.75Å; R92-S152 PolarHBondContact NH1-O 3.36Å; S152-S154 VanDerWaalsContact C-N 3.29Å; S152-S154 PolarHBondContact O-N 3.06Å; S152-N177 PolarHBondContact OG-ND2 2.86Å; S152-E179 WeakPolarHBondContact CA-OE1 3.38Å; S152-E179 VanDerWaalsContact CB-CD 3.46Å; S152-E179 WeakPolarHBondContact CB-OE1 3.46Å; S152-E179 WeakPolarHBondContact CB-OE2 3.45Å; S152-E179 PolarHBondContact N-OE1 3.19Å; S152-E179 PolarHBondContact OG-OE1 2.88Å; S152-E179 PolarHBondContact OG-OE2 2.96Å
153	D	70.8	Confident	85.3	Confident	27 Å²	27	33 Å²	33	14%	0.144	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-44.6	170	-66.4	-55	0	0	0	111.4	R92 K93 S151 E179 R209	R92-D153 WeakPolarHBondContact CD-O 3.4Å; K93-D153 IonicContact NZ-OD1 3.33Å; K93-D153 PolarHBondContact NZ-OD1 2.99Å; S151-D153 VanDerWaalsContact C-N 3.26Å; S151-D153 PolarHBondContact O-N 3.35Å; D153-E179 PolarHBondContact N-OE1 3.38Å; D153-R209 IonicContact OD2-CZ 3.92Å; D153-R209 IonicContact OD2-NH1 3.18Å; D153-R209 IonicContact OD2-NH2 2.64Å; D153-R209 PolarHBondContact OD2-NH2 2.88Å
154	S	68.3	Low	85.3	Confident	24 Å²	24	36.5 Å²	36.5	17%	0.168	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-46.1	-172.5	60.9	0	0	0	0	115.9	S151 S152	S151-S154 PolarHBondContact O-N 3.41Å; S152-S154 VanDerWaalsContact C-N 3.29Å; S152-S154 PolarHBondContact O-N 3.06Å
155	G	64.6	Low	85.5	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.163	C	C	.	.			trans	-92.2	-7.1	-154	0	0	0	0	0	118	S151 S157 V158 L159 D204	S151-G155 PolarHBondContact O-N 3.37Å; G155-S157 PolarHBondContact O-N 2.82Å; G155-V158 PolarHBondContact O-N 3.37Å; G155-L159 WeakPolarHBondContact O-CB 3.23Å; G155-L159 PolarHBondContact O-N 3.24Å; G155-D204 VanDerWaalsContact CA-CG 3.49Å; G155-D204 WeakPolarHBondContact CA-OD2 3.37Å
156	L	79.6	Confident	85.7	Confident	72 Å²	72	28.4 Å²	28.4	38%	0.377	15%	0.151	S	C	.	.	H	α-helix	trans	-63.4	-33.2	-165.3	-169.7	65.5	0	0	0	115	L159 Q160	L156-L159 HydrophobicContact CD1-CD2 4.32Å; L156-Q160 WeakPolarHBondContact O-CB 3.28Å; L156-Q160 PolarHBondContact O-N 3Å
157	S	83.1	Confident	85.7	Confident	32 Å²	32	32 Å²	32	22%	0.224	18%	0.181	C	C	.	.	H	α-helix	trans	-71.6	-42	177.5	43.2	0	0	0	0	112.1	G155 L159 Q160 K161	G155-S157 PolarHBondContact O-N 2.82Å; S157-L159 VanDerWaalsContact C-N 3.34Å; S157-Q160 PolarHBondContact O-N 2.65Å; S157-K161 PolarHBondContact O-N 3.1Å
158	V	87.9	Confident	85.8	Confident	18 Å²	18	39.3 Å²	39.3	11%	0.109	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-44.9	174.1	-172.9	0	0	0	0	109.9	Q131 L134 Y148 G155 Q160 K161 V162	Q131-V158 HydrophobicContact CB-CG1 4.23Å; L134-V158 HydrophobicContact CD2-CG1 3.71Å; Y148-V158 VanDerWaalsContact OH-CG1 3.22Å; Y148-V158 WeakPolarHBondContact OH-CG1 3.12Å; G155-V158 PolarHBondContact O-N 3.37Å; V158-Q160 PolarHBondContact O-N 3.04Å; V158-K161 PolarHBondContact O-N 3.46Å; V158-V162 WeakPolarHBondContact O-CB 3.49Å; V158-V162 VanDerWaalsContact O-CG2 3.3Å; V158-V162 WeakPolarHBondContact O-CG2 3.02Å; V158-V162 PolarHBondContact O-N 3.49Å
159	L	89.9	Confident	85.7	Confident	5 Å²	5	43.3 Å²	43.3	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-59.5	-44.8	174.1	175.3	59.2	0	0	0	112.2	Y148 Y150 G155 L156 S157 V162 L163	Y148-L159 HydrophobicContact CD1-CB 4.41Å; Y148-L159 HydrophobicContact CD1-CD1 3.71Å; Y148-L159 HydrophobicContact CD1-CG 4.47Å; Y148-L159 HydrophobicContact CE1-CB 3.9Å; Y148-L159 HydrophobicContact CE1-CD1 4.05Å; Y148-L159 HydrophobicContact CE1-CG 4.44Å; Y148-L159 HydrophobicContact CG-CD1 3.98Å; Y150-L159 HydrophobicContact CD1-CD2 3.71Å; Y150-L159 HydrophobicContact CD2-CD2 4.16Å; Y150-L159 HydrophobicContact CE1-CD2 3.66Å; Y150-L159 HydrophobicContact CE2-CD2 4.13Å; Y150-L159 HydrophobicContact CG-CD2 3.96Å; G155-L159 WeakPolarHBondContact O-CB 3.23Å; G155-L159 PolarHBondContact O-N 3.24Å; L156-L159 HydrophobicContact CD1-CD2 4.32Å; S157-L159 VanDerWaalsContact C-N 3.34Å; L159-V162 PolarHBondContact O-N 3.14Å; L159-L163 HydrophobicContact CD1-CD1 3.87Å; L159-L163 HydrophobicContact CD1-CD2 4.39Å; L159-L163 HydrophobicContact CD1-CG 3.85Å; L159-L163 HydrophobicContact CG-CD1 3.92Å; L159-L163 HydrophobicContact CG-CG 4.32Å; L159-L163 WeakPolarHBondContact O-CB 3.43Å; L159-L163 VanDerWaalsContact O-CG 3.32Å; L159-L163 WeakPolarHBondContact O-CG 3.45Å; L159-L163 PolarHBondContact O-N 2.74Å
160	Q	89.7	Confident	85.8	Confident	100 Å²	100	50.1 Å²	50.1	47%	0.467	27%	0.269	S	S	.	.	H	α-helix	trans	-58.5	-51.4	178	-176	-179.5	-34.3	0	0	111	L156 S157 V158 V162 L163 D164	L156-Q160 WeakPolarHBondContact O-CB 3.28Å; L156-Q160 PolarHBondContact O-N 3Å; S157-Q160 PolarHBondContact O-N 2.65Å; V158-Q160 PolarHBondContact O-N 3.04Å; Q160-V162 VanDerWaalsContact C-N 3.29Å; Q160-V162 PolarHBondContact O-N 3.31Å; Q160-L163 PolarHBondContact O-N 3.42Å; Q160-D164 PolarHBondContact O-N 3.18Å
161	K	89.8	Confident	86	Confident	70 Å²	70	49.9 Å²	49.9	30%	0.304	27%	0.268	S	S	.	.	H	α-helix	trans	-60	-36.3	177.6	178.7	59.1	174	176.8	0	113.1	Q131 D132 S157 V158 T165	Q131-K161 HydrophobicContact CB-CB 4.09Å; Q131-K161 HydrophobicContact CB-CG 3.85Å; Q131-K161 HydrophobicContact CG-CB 4.4Å; Q131-K161 HydrophobicContact CG-CG 3.87Å; D132-K161 WeakPolarHBondContact OD1-CE 3.47Å; D132-K161 IonicContact OD1-NZ 3.65Å; S157-K161 PolarHBondContact O-N 3.1Å; V158-K161 PolarHBondContact O-N 3.46Å; K161-T165 WeakPolarHBondContact O-CB 3.25Å; K161-T165 PolarHBondContact O-N 3.26Å; K161-T165 VanDerWaalsContact O-N 3.1Å; K161-T165 PolarHBondContact O-OG1 3.04Å
162	V	91.8	Very high	86.2	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-68.9	-38.4	174.3	168.4	0	0	0	0	111.7	L134 V135 F146 Y148 V158 L159 Q160 A166	L134-V162 HydrophobicContact CD2-CG2 4.22Å; V135-V162 HydrophobicContact CG2-CG2 4.2Å; F146-V162 HydrophobicContact CE2-CG1 4.13Å; F146-V162 HydrophobicContact CZ-CG1 4.22Å; Y148-V162 HydrophobicContact CD2-CG1 4.24Å; Y148-V162 HydrophobicContact CE2-CB 4.45Å; Y148-V162 HydrophobicContact CE2-CG1 4.34Å; Y148-V162 HydrophobicContact CE2-CG2 4.19Å; V158-V162 WeakPolarHBondContact O-CB 3.49Å; V158-V162 VanDerWaalsContact O-CG2 3.3Å; V158-V162 WeakPolarHBondContact O-CG2 3.02Å; V158-V162 PolarHBondContact O-N 3.49Å; L159-V162 PolarHBondContact O-N 3.14Å; Q160-V162 VanDerWaalsContact C-N 3.29Å; Q160-V162 PolarHBondContact O-N 3.31Å; V162-A166 VanDerWaalsContact O-CB 3.23Å; V162-A166 WeakPolarHBondContact O-CB 3.07Å; V162-A166 PolarHBondContact O-N 2.98Å
163	L	92.2	Very high	86.9	Confident	75 Å²	75	55 Å²	55	39%	0.393	29%	0.293	S	S	.	.	H	α-helix	trans	-70.2	-40.1	176.3	-71.5	172.8	0	0	0	112.5	L159 Q160 T165 A166 A167 V173	L159-L163 HydrophobicContact CD1-CD1 3.87Å; L159-L163 HydrophobicContact CD1-CD2 4.39Å; L159-L163 HydrophobicContact CD1-CG 3.85Å; L159-L163 HydrophobicContact CG-CD1 3.92Å; L159-L163 HydrophobicContact CG-CG 4.32Å; L159-L163 WeakPolarHBondContact O-CB 3.43Å; L159-L163 VanDerWaalsContact O-CG 3.32Å; L159-L163 WeakPolarHBondContact O-CG 3.45Å; L159-L163 PolarHBondContact O-N 2.74Å; Q160-L163 PolarHBondContact O-N 3.42Å; L163-T165 VanDerWaalsContact C-N 3.35Å; L163-A166 WeakPolarHBondContact O-CB 3.4Å; L163-A166 PolarHBondContact O-N 2.88Å; L163-A167 PolarHBondContact O-N 3.34Å; L163-V173 HydrophobicContact CD2-CB 4.28Å; L163-V173 HydrophobicContact CD2-CG1 4.28Å
164	D	92.8	Very high	87.7	Confident	87 Å²	87	55.8 Å²	55.8	47%	0.465	30%	0.299	S	S	.	.	H	α-helix	trans	-60.1	-47.3	173.7	-65.5	-29.2	0	0	0	110.2	Q160 A166 A167 E168	Q160-D164 PolarHBondContact O-N 3.18Å; D164-A166 VanDerWaalsContact C-N 3.33Å; D164-A166 PolarHBondContact O-N 2.86Å; D164-A167 WeakPolarHBondContact O-CB 3.46Å; D164-A167 PolarHBondContact O-N 3.1Å; D164-E168 PolarHBondContact O-N 3.41Å; D164-E168 VanDerWaalsContact O-N 3.13Å
165	T	91.4	Very high	88.7	Confident	8 Å²	8	57.5 Å²	57.5	5%	0.049	31%	0.31	C	S	.	.	H	α-helix	trans	-65.7	-34.5	176.3	-50.4	0	0	0	0	112.1	V135 K161 L163 A167 E168 K169 W171	V135-T165 HydrophobicContact CG1-CG2 3.95Å; V135-T165 HydrophobicContact CG2-CG2 4.48Å; K161-T165 WeakPolarHBondContact O-CB 3.25Å; K161-T165 PolarHBondContact O-N 3.26Å; K161-T165 VanDerWaalsContact O-N 3.1Å; K161-T165 PolarHBondContact O-OG1 3.04Å; L163-T165 VanDerWaalsContact C-N 3.35Å; T165-A167 VanDerWaalsContact C-N 3.34Å; T165-E168 PolarHBondContact O-N 2.91Å; T165-K169 HydrophobicContact CG2-CD 4.07Å; T165-K169 HydrophobicContact CG2-CG 4.47Å; T165-K169 WeakPolarHBondContact O-CB 3.46Å; T165-K169 PolarHBondContact O-N 3.14Å; T165-W171 HydrophobicContact CG2-CE3 4.5Å; T165-W171 HydrophobicContact CG2-CH2 3.86Å; T165-W171 HydrophobicContact CG2-CZ3 3.75Å
166	A	92.5	Very high	89.7	Confident	7 Å²	7	58.8 Å²	58.8	6%	0.058	32%	0.318	C	S	.	.	H	α-helix	trans	-65.7	-35.9	174.9	0	0	0	0	0	112.4	V162 L163 D164 N170 W171 V173	V162-A166 VanDerWaalsContact O-CB 3.23Å; V162-A166 WeakPolarHBondContact O-CB 3.07Å; V162-A166 PolarHBondContact O-N 2.98Å; L163-A166 WeakPolarHBondContact O-CB 3.4Å; L163-A166 PolarHBondContact O-N 2.88Å; D164-A166 VanDerWaalsContact C-N 3.33Å; D164-A166 PolarHBondContact O-N 2.86Å; A166-N170 CarbonylContact O-C 3.57Å; A166-N170 VanDerWaalsContact O-CA 3.29Å; A166-N170 WeakPolarHBondContact O-CA 3.42Å; A166-N170 PolarHBondContact O-N 3.06Å; A166-W171 HydrophobicContact CB-CB 3.81Å; A166-W171 HydrophobicContact CB-CE3 4.15Å; A166-W171 PolarHBondContact O-N 3.3Å; A166-V173 HydrophobicContact CB-CG2 3.63Å
167	A	92.2	Very high	90	Very high	77 Å²	77	58 Å²	58	64%	0.636	31%	0.314	S	S	*	.	H	α-helix	trans	-67.6	-41.4	173.4	0	0	0	0	0	111.8	L163 D164 T165	L163-A167 PolarHBondContact O-N 3.34Å; D164-A167 WeakPolarHBondContact O-CB 3.46Å; D164-A167 PolarHBondContact O-N 3.1Å; T165-A167 VanDerWaalsContact C-N 3.34Å
168	E	93.4	Very high	89.8	Confident	152 Å²	152	56.9 Å²	56.9	71%	0.71	31%	0.306	S	S	*	.	H	α-helix	trans	-63.3	-39.5	174	-68.9	-179.4	177.5	0	0	112.8	D164 T165	D164-E168 PolarHBondContact O-N 3.41Å; D164-E168 VanDerWaalsContact O-N 3.13Å; T165-E168 PolarHBondContact O-N 2.91Å
169	K	90.1	Very high	88.8	Confident	85 Å²	85	59.5 Å²	59.5	37%	0.37	32%	0.317	S	S	.	.	H	α-helix	trans	-104	6.4	-171.8	-61.8	-171.4	177.6	-178	0	114.9	E139 T165 W171	E139-K169 IonicContact OE1-NZ 2.82Å; E139-K169 PolarHBondContact OE1-NZ 3.29Å; E139-K169 IonicContact OE2-NZ 2.61Å; E139-K169 PolarHBondContact OE2-NZ 2.88Å; T165-K169 HydrophobicContact CG2-CD 4.07Å; T165-K169 HydrophobicContact CG2-CG 4.47Å; T165-K169 WeakPolarHBondContact O-CB 3.46Å; T165-K169 PolarHBondContact O-N 3.14Å; K169-W171 VanDerWaalsContact C-N 3.3Å; K169-W171 HydrophobicContact CB-CD2 4.14Å; K169-W171 HydrophobicContact CB-CG 4.27Å; K169-W171 HydrophobicContact CB-CZ2 4.25Å; K169-W171 HydrophobicContact CD-CH2 4.22Å; K169-W171 HydrophobicContact CD-CZ2 3.69Å; K169-W171 PolarHBondContact O-N 2.86Å
170	N	91	Very high	87.3	Confident	143 Å²	143	64 Å²	64	77%	0.765	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	40.2	-177.6	-61.1	-91.4	0	0	0	113.6	A166	A166-N170 CarbonylContact O-C 3.57Å; A166-N170 VanDerWaalsContact O-CA 3.29Å; A166-N170 WeakPolarHBondContact O-CA 3.42Å; A166-N170 PolarHBondContact O-N 3.06Å
171	W	92.8	Very high	85.8	Confident	34 Å²	34	62.6 Å²	62.6	13%	0.129	34%	0.344	C	S	.	.			trans	-80.3	137	176.5	-61.1	-21.3	0	0	0	111.8	V135 I138 E139 W143 N144 F146 T165 A166 K169 V173	V135-W171 HydrophobicContact CG1-CH2 4.43Å; I138-W171 HydrophobicContact CB-CH2 4.2Å; I138-W171 HydrophobicContact CG2-CE3 4.26Å; I138-W171 HydrophobicContact CG2-CH2 3.59Å; I138-W171 HydrophobicContact CG2-CZ2 3.9Å; I138-W171 HydrophobicContact CG2-CZ3 3.8Å; E139-W171 HydrophobicContact CG-CH2 4.01Å; E139-W171 HydrophobicContact CG-CZ2 3.89Å; W143-W171 PolarHBondContact O-NE1 2.97Å; N144-W171 WeakPolarHBondContact O-CA 3.43Å; F146-W171 HydrophobicContact CE1-CB 4.4Å; F146-W171 HydrophobicContact CE1-CD2 4.3Å; F146-W171 HydrophobicContact CE1-CE3 4.13Å; F146-W171 HydrophobicContact CE1-CG 4.48Å; F146-W171 HydrophobicContact CZ-CE3 4.01Å; T165-W171 HydrophobicContact CG2-CE3 4.5Å; T165-W171 HydrophobicContact CG2-CH2 3.86Å; T165-W171 HydrophobicContact CG2-CZ3 3.75Å; A166-W171 HydrophobicContact CB-CB 3.81Å; A166-W171 HydrophobicContact CB-CE3 4.15Å; A166-W171 PolarHBondContact O-N 3.3Å; K169-W171 VanDerWaalsContact C-N 3.3Å; K169-W171 HydrophobicContact CB-CD2 4.14Å; K169-W171 HydrophobicContact CB-CG 4.27Å; K169-W171 HydrophobicContact CB-CZ2 4.25Å; K169-W171 HydrophobicContact CD-CH2 4.22Å; K169-W171 HydrophobicContact CD-CZ2 3.69Å; K169-W171 PolarHBondContact O-N 2.86Å; W171-V173 HydrophobicContact CB-CG2 4.09Å; W171-V173 PolarHBondContact O-N 3.26Å
172	L	89.6	Confident	84.5	Confident	110 Å²	110	63.5 Å²	63.5	58%	0.576	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	86.5	175.3	-67.3	177	0	0	0	110	N144 K145 F146	N144-L172 PolarHBondContact O-N 3.2Å; K145-L172 WeakPolarHBondContact CA-O 3.4Å; K145-L172 HydrophobicContact CB-CB 4.19Å; K145-L172 HydrophobicContact CD-CB 4.3Å; K145-L172 HydrophobicContact CD-CD1 4.3Å; K145-L172 HydrophobicContact CG-CB 3.84Å; F146-L172 PolarHBondContact N-O 3.1Å
173	V	91.3	Very high	83.1	Confident	29 Å²	29	64.8 Å²	64.8	18%	0.176	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	125.2	-179.9	-173.4	0	0	0	0	110.8	F146 L163 A166 W171	F146-V173 HydrophobicContact CD2-CG1 4.21Å; F146-V173 HydrophobicContact CD2-CG2 4.36Å; F146-V173 HydrophobicContact CE1-CG2 4.12Å; F146-V173 HydrophobicContact CE2-CB 4.29Å; F146-V173 HydrophobicContact CE2-CG1 3.81Å; F146-V173 HydrophobicContact CE2-CG2 3.63Å; F146-V173 HydrophobicContact CZ-CG2 3.49Å; F146-V173 VanDerWaalsContact CZ-CG2 3.49Å; F146-V173 WeakPolarHBondContact O-CA 3.37Å; L163-V173 HydrophobicContact CD2-CB 4.28Å; L163-V173 HydrophobicContact CD2-CG1 4.28Å; A166-V173 HydrophobicContact CB-CG2 3.63Å; W171-V173 HydrophobicContact CB-CG2 4.09Å; W171-V173 PolarHBondContact O-N 3.26Å
174	T	88.8	Confident	81.8	Confident	44 Å²	44	67.5 Å²	67.5	27%	0.27	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	109.2	171	-50.1	0	0	0	0	110.6	F146 V147 Y148 W196	F146-T174 PolarHBondContact O-N 3.11Å; F146-T174 VanDerWaalsContact O-N 3.07Å; V147-T174 CarbonylContact C-O 3.54Å; V147-T174 WeakPolarHBondContact CA-O 3.32Å; V147-T174 WeakPolarHBondContact CG1-O 3.46Å; Y148-T174 PolarHBondContact N-O 2.81Å; T174-W196 HydrophobicContact CG2-CH2 3.84Å; T174-W196 HydrophobicContact CG2-CZ3 3.68Å
175	S	88	Confident	80.6	Confident	59 Å²	59	64.9 Å²	64.9	41%	0.413	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	131.1	-179.9	62	0	0	0	0	112.6	Y148	Y148-S175 CarbonylContact O-C 3.54Å; Y148-S175 WeakPolarHBondContact O-CA 3.26Å
176	V	86.4	Confident	79.6	Confident	27 Å²	27	64.9 Å²	64.9	16%	0.164	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	122.4	178.3	-178.2	0	0	0	0	110.2	V147 Y148 M149 Y150 V189	V147-V176 HydrophobicContact CG1-CG2 3.93Å; Y148-V176 PolarHBondContact O-N 3.45Å; M149-V176 CarbonylContact C-O 3.6Å; M149-V176 WeakPolarHBondContact CA-O 3.36Å; Y150-V176 WeakPolarHBondContact CD1-O 3.25Å; Y150-V176 PolarHBondContact N-O 2.71Å; V176-V189 HydrophobicContact CG1-CG1 4.16Å; V176-V189 HydrophobicContact CG1-CG2 3.98Å
177	N	86.1	Confident	78.6	Confident	55 Å²	55	67 Å²	67	29%	0.294	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	131.2	174.1	-175.6	-6.1	0	0	0	110.5	Y150 S152 E179	Y150-N177 HydrophobicContact CE1-CB 4.06Å; Y150-N177 HydrophobicContact CE2-CB 4.18Å; Y150-N177 CarbonylContact O-C 3.36Å; Y150-N177 WeakPolarHBondContact O-CA 3.42Å; Y150-N177 PolarHBondContact O-OD1 3.01Å; S152-N177 PolarHBondContact OG-ND2 2.86Å; N177-E179 PolarHBondContact ND2-OE2 3.22Å; N177-E179 WeakPolarHBondContact OD1-CB 3.17Å; N177-E179 VanDerWaalsContact OD1-CG 3.23Å; N177-E179 WeakPolarHBondContact OD1-CG 3.39Å; N177-E179 PolarHBondContact OD1-N 3.1Å; N177-E179 PolarHBondContact OD1-OE2 2.92Å
178	V	77.9	Confident	77.9	Confident	10 Å²	10	69.7 Å²	69.7	6%	0.061	38%	0.378	C	S	.	.			trans	-108.5	5.1	-175.7	-157.3	0	0	0	0	113	M149 Y150 S180 M181 F186 I213	M149-V178 HydrophobicContact CB-CG2 3.9Å; Y150-V178 PolarHBondContact O-N 3.47Å; V178-S180 VanDerWaalsContact C-N 3.34Å; V178-S180 PolarHBondContact O-N 2.83Å; V178-M181 HydrophobicContact CB-CG 4.41Å; V178-M181 HydrophobicContact CG1-CB 4.22Å; V178-M181 HydrophobicContact CG1-CG 3.94Å; V178-F186 HydrophobicContact CG1-CD2 4.33Å; V178-F186 HydrophobicContact CG1-CE2 3.98Å; V178-I213 HydrophobicContact CB-CD1 4.44Å; V178-I213 HydrophobicContact CG1-CD1 3.8Å; V178-I213 HydrophobicContact CG1-CG1 4.11Å
179	E	67.3	Low	77.1	Confident	73 Å²	73	63.5 Å²	63.5	34%	0.341	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-36.4	-171.9	-81.8	175.5	134.7	0	0	116.2	S152 D153 N177	S152-E179 WeakPolarHBondContact CA-OE1 3.38Å; S152-E179 VanDerWaalsContact CB-CD 3.46Å; S152-E179 WeakPolarHBondContact CB-OE1 3.46Å; S152-E179 WeakPolarHBondContact CB-OE2 3.45Å; S152-E179 PolarHBondContact N-OE1 3.19Å; S152-E179 PolarHBondContact OG-OE1 2.88Å; S152-E179 PolarHBondContact OG-OE2 2.96Å; D153-E179 PolarHBondContact N-OE1 3.38Å; N177-E179 PolarHBondContact ND2-OE2 3.22Å; N177-E179 WeakPolarHBondContact OD1-CB 3.17Å; N177-E179 VanDerWaalsContact OD1-CG 3.23Å; N177-E179 WeakPolarHBondContact OD1-CG 3.39Å; N177-E179 PolarHBondContact OD1-N 3.1Å; N177-E179 PolarHBondContact OD1-OE2 2.92Å
180	S	58.3	Low	76.4	Confident	99 Å²	99	59.7 Å²	59.7	69%	0.692	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.3	20.1	-172.3	59.6	0	0	0	0	113.7	V178 T182	V178-S180 VanDerWaalsContact C-N 3.34Å; V178-S180 PolarHBondContact O-N 2.83Å; S180-T182 PolarHBondContact O-N 3.07Å
181	M	58.3	Low	75.8	Confident	71 Å²	71	59.1 Å²	59.1	35%	0.35	33%	0.325	S	S	.	.			trans	-73.8	109	-173.1	-64	-66.1	97.6	0	0	112.2	V178 S185 F186	V178-M181 HydrophobicContact CB-CG 4.41Å; V178-M181 HydrophobicContact CG1-CB 4.22Å; V178-M181 HydrophobicContact CG1-CG 3.94Å; M181-S185 WeakPolarHBondContact CA-OG 3.44Å; M181-S185 PolarHBondContact SD-OG 2.79Å; M181-S185 VanDerWaalsContact SD-OG 3.34Å; M181-F186 HydrophobicContact CB-CD2 4.34Å
182	T	63.3	Low	75	Confident	89 Å²	89	60.1 Å²	60.1	55%	0.546	33%	0.333	S	S	.	.			trans	-71.5	157.4	159.2	60	0	0	0	0	110.1	S180 D184 S185 F186	S180-T182 PolarHBondContact O-N 3.07Å; T182-D184 PolarHBondContact O-N 3.03Å; T182-D184 VanDerWaalsContact O-N 3.13Å; T182-S185 PolarHBondContact N-OG 3.21Å; T182-S185 WeakPolarHBondContact O-CA 3.49Å; T182-S185 PolarHBondContact O-N 3.5Å; T182-S185 PolarHBondContact O-OG 2.94Å; T182-F186 PolarHBondContact O-N 2.92Å
183	G	62.6	Low	74.2	Confident	27 Å²	27	55.1 Å²	55.1	28%	0.278	31%	0.307	S	S	.	.	H	α-helix	trans	-50.9	-39.9	-179.6	0	0	0	0	0	113.8	S185 F186 L187	G183-S185 VanDerWaalsContact C-N 3.31Å; G183-S185 PolarHBondContact O-N 3.04Å; G183-F186 PolarHBondContact O-N 2.88Å; G183-L187 WeakPolarHBondContact O-CB 3.28Å; G183-L187 PolarHBondContact O-N 2.71Å
184	D	64.2	Low	73.3	Confident	131 Å²	131	57.4 Å²	57.4	70%	0.701	32%	0.318	S	S	*	.	H	α-helix	trans	-59.9	-36.3	175.3	-64	-57.5	0	0	0	113.9	T182 L187 K188	T182-D184 PolarHBondContact O-N 3.03Å; T182-D184 VanDerWaalsContact O-N 3.13Å; D184-L187 WeakPolarHBondContact O-CB 3.46Å; D184-K188 PolarHBondContact O-N 2.83Å
185	S	67.3	Low	72.6	Confident	32 Å²	32	62 Å²	62	22%	0.224	33%	0.334	C	S	.	.	H	α-helix	trans	-78.6	-33.2	176.9	66.1	0	0	0	0	112.2	M181 T182 G183 K188 V189	M181-S185 WeakPolarHBondContact CA-OG 3.44Å; M181-S185 PolarHBondContact SD-OG 2.79Å; M181-S185 VanDerWaalsContact SD-OG 3.34Å; T182-S185 PolarHBondContact N-OG 3.21Å; T182-S185 WeakPolarHBondContact O-CA 3.49Å; T182-S185 PolarHBondContact O-N 3.5Å; T182-S185 PolarHBondContact O-OG 2.94Å; G183-S185 VanDerWaalsContact C-N 3.31Å; G183-S185 PolarHBondContact O-N 3.04Å; S185-K188 WeakPolarHBondContact O-CA 3.42Å; S185-K188 VanDerWaalsContact O-CB 3.32Å; S185-K188 WeakPolarHBondContact O-CB 3.33Å; S185-K188 PolarHBondContact O-N 3.37Å; S185-K188 VanDerWaalsContact O-N 3.09Å; S185-V189 PolarHBondContact O-N 3.01Å
186	F	71.4	Confident	71.6	Confident	9 Å²	9	63.3 Å²	63.3	4%	0.039	33%	0.33	C	S	.	.	H	α-helix	trans	-69	-39.5	173.5	-152.4	-118.6	0	0	0	111.4	M149 V178 M181 T182 G183 K188 V189 F190 I213 E216	M149-F186 HydrophobicContact SD-CE2 4.44Å; M149-F186 HydrophobicContact SD-CZ 4.46Å; V178-F186 HydrophobicContact CG1-CD2 4.33Å; V178-F186 HydrophobicContact CG1-CE2 3.98Å; M181-F186 HydrophobicContact CB-CD2 4.34Å; T182-F186 PolarHBondContact O-N 2.92Å; G183-F186 PolarHBondContact O-N 2.88Å; F186-K188 PolarHBondContact O-N 3.47Å; F186-V189 PolarHBondContact O-N 3.13Å; F186-V189 VanDerWaalsContact O-N 3.14Å; F186-F190 HydrophobicContact CD1-CD2 4.1Å; F186-F190 AromaticContact CD1-CE2 3.45Å; F186-F190 HydrophobicContact CD1-CE2 3.45Å; F186-F190 VanDerWaalsContact CD1-CE2 3.45Å; F186-F190 HydrophobicContact CD1-CZ 4.2Å; F186-F190 HydrophobicContact CE1-CD2 4.27Å; F186-F190 AromaticContact CE1-CE2 3.24Å; F186-F190 HydrophobicContact CE1-CE2 3.24Å; F186-F190 AromaticContact CE1-CZ 3.53Å; F186-F190 HydrophobicContact CE1-CZ 3.53Å; F186-F190 HydrophobicContact CG-CE2 4.39Å; F186-F190 HydrophobicContact CZ-CE2 4.03Å; F186-F190 AromaticContact CZ-CZ 3.94Å; F186-F190 HydrophobicContact CZ-CZ 3.94Å; F186-F190 WeakPolarHBondContact O-CD2 3.49Å; F186-F190 PolarHBondContact O-N 2.97Å; F186-I213 HydrophobicContact CZ-CB 4.45Å; F186-I213 HydrophobicContact CZ-CG1 4.32Å; F186-I213 HydrophobicContact CZ-CG2 3.96Å; F186-E216 HydrophobicContact CD1-CB 3.53Å; F186-E216 HydrophobicContact CD1-CG 3.9Å; F186-E216 HydrophobicContact CE1-CB 3.53Å; F186-E216 HydrophobicContact CE1-CG 4.29Å
187	L	71.6	Confident	70.8	Confident	50 Å²	50	65.8 Å²	65.8	26%	0.262	34%	0.339	S	S	.	.	H	α-helix	trans	-54.9	-34.2	165.2	-91.9	163.5	0	0	0	113.2	G183 D184 K191 Q220	G183-L187 WeakPolarHBondContact O-CB 3.28Å; G183-L187 PolarHBondContact O-N 2.71Å; D184-L187 WeakPolarHBondContact O-CB 3.46Å; L187-K191 WeakPolarHBondContact O-CD 3.49Å; L187-K191 VanDerWaalsContact O-CG 3.25Å; L187-K191 WeakPolarHBondContact O-CG 3.32Å; L187-K191 PolarHBondContact O-N 2.88Å; L187-K191 VanDerWaalsContact O-N 3.13Å; L187-Q220 VanDerWaalsContact CD2-OE1 3.24Å
188	K	75.8	Confident	70.1	Confident	134 Å²	134	64 Å²	64	58%	0.583	33%	0.328	S	S	*	.	H	α-helix	trans	-71.1	-46.6	174.1	-171.2	-171	170.7	-169.4	0	111.1	D184 S185 F186 F190 K191 D192	D184-K188 PolarHBondContact O-N 2.83Å; S185-K188 WeakPolarHBondContact O-CA 3.42Å; S185-K188 VanDerWaalsContact O-CB 3.32Å; S185-K188 WeakPolarHBondContact O-CB 3.33Å; S185-K188 PolarHBondContact O-N 3.37Å; S185-K188 VanDerWaalsContact O-N 3.09Å; F186-K188 PolarHBondContact O-N 3.47Å; K188-F190 PolarHBondContact O-N 2.95Å; K188-K191 WeakPolarHBondContact O-CB 3.16Å; K188-K191 PolarHBondContact O-N 3.3Å; K188-D192 PolarHBondContact O-N 3.27Å
189	V	77.4	Confident	70.1	Confident	23 Å²	23	64.2 Å²	64.2	14%	0.139	33%	0.333	C	S	.	.	H	α-helix	trans	-55.2	-41.9	175	175.7	0	0	0	0	110.8	M149 V176 S185 F186 D192 L193	M149-V189 HydrophobicContact CE-CG1 4.05Å; V176-V189 HydrophobicContact CG1-CG1 4.16Å; V176-V189 HydrophobicContact CG1-CG2 3.98Å; S185-V189 PolarHBondContact O-N 3.01Å; F186-V189 PolarHBondContact O-N 3.13Å; F186-V189 VanDerWaalsContact O-N 3.14Å; V189-D192 PolarHBondContact O-N 2.68Å; V189-L193 HydrophobicContact CG1-CD1 4.04Å; V189-L193 WeakPolarHBondContact O-CB 3.45Å; V189-L193 WeakPolarHBondContact O-CG 3.32Å; V189-L193 PolarHBondContact O-N 2.66Å
190	F	76.4	Confident	71.3	Confident	4 Å²	4	63 Å²	63	2%	0.018	33%	0.329	C	S	.	.	H	α-helix	trans	-68.8	-31.7	174.7	-74.4	-51.5	0	0	0	114.9	F186 K188 L193 D194 I217 Q220 K222	F186-F190 HydrophobicContact CD1-CD2 4.1Å; F186-F190 AromaticContact CD1-CE2 3.45Å; F186-F190 HydrophobicContact CD1-CE2 3.45Å; F186-F190 VanDerWaalsContact CD1-CE2 3.45Å; F186-F190 HydrophobicContact CD1-CZ 4.2Å; F186-F190 HydrophobicContact CE1-CD2 4.27Å; F186-F190 AromaticContact CE1-CE2 3.24Å; F186-F190 HydrophobicContact CE1-CE2 3.24Å; F186-F190 AromaticContact CE1-CZ 3.53Å; F186-F190 HydrophobicContact CE1-CZ 3.53Å; F186-F190 HydrophobicContact CG-CE2 4.39Å; F186-F190 HydrophobicContact CZ-CE2 4.03Å; F186-F190 AromaticContact CZ-CZ 3.94Å; F186-F190 HydrophobicContact CZ-CZ 3.94Å; F186-F190 WeakPolarHBondContact O-CD2 3.49Å; F186-F190 PolarHBondContact O-N 2.97Å; K188-F190 PolarHBondContact O-N 2.95Å; F190-L193 HydrophobicContact CD1-CD1 3.62Å; F190-L193 HydrophobicContact CE1-CD1 3.98Å; F190-L193 PolarHBondContact O-N 2.84Å; F190-D194 WeakPolarHBondContact O-CB 3.46Å; F190-D194 PolarHBondContact O-N 3.2Å; F190-I217 HydrophobicContact CE1-CG1 4.4Å; F190-I217 HydrophobicContact CZ-CG1 3.67Å; F190-Q220 HydrophobicContact CD2-CB 4.17Å; F190-Q220 HydrophobicContact CD2-CG 3.84Å; F190-Q220 HydrophobicContact CE2-CB 4.31Å; F190-Q220 HydrophobicContact CE2-CG 4.02Å; F190-K222 HydrophobicContact CD1-CD 4.46Å; F190-K222 HydrophobicContact CD1-CG 3.85Å; F190-K222 HydrophobicContact CE1-CB 4.3Å; F190-K222 HydrophobicContact CE1-CG 3.9Å; F190-K222 HydrophobicContact CG-CG 4.27Å; F190-K222 HydrophobicContact CZ-CG 4.31Å
191	K	77.3	Confident	72.9	Confident	132 Å²	132	58.2 Å²	58.2	57%	0.574	30%	0.296	S	S	*	.	H	α-helix	trans	-68.6	-37.2	173.1	-73.6	162.3	-172.5	169	0	111.7	L187 K188 K195	L187-K191 WeakPolarHBondContact O-CD 3.49Å; L187-K191 VanDerWaalsContact O-CG 3.25Å; L187-K191 WeakPolarHBondContact O-CG 3.32Å; L187-K191 PolarHBondContact O-N 2.88Å; L187-K191 VanDerWaalsContact O-N 3.13Å; K188-K191 WeakPolarHBondContact O-CB 3.16Å; K188-K191 PolarHBondContact O-N 3.3Å; K191-K195 WeakPolarHBondContact O-CB 3.37Å; K191-K195 PolarHBondContact O-N 3.43Å
192	D	75.6	Confident	74.6	Confident	54 Å²	54	54.9 Å²	54.9	29%	0.289	28%	0.279	S	S	.	.	H	α-helix	trans	-70.4	-39.7	174.1	-70.6	-41.1	0	0	0	110.9	K188 V189 K195 W196	K188-D192 PolarHBondContact O-N 3.27Å; V189-D192 PolarHBondContact O-N 2.68Å; D192-K195 WeakPolarHBondContact O-CB 3.37Å; D192-K195 PolarHBondContact O-N 2.93Å; D192-W196 HydrophobicContact CB-CH2 4.37Å; D192-W196 HydrophobicContact CB-CZ2 4.39Å; D192-W196 WeakPolarHBondContact O-CB 3.36Å; D192-W196 VanDerWaalsContact O-CD2 3.27Å; D192-W196 PolarHBondContact O-N 3.17Å
193	L	73.6	Confident	75.9	Confident	5 Å²	5	50.7 Å²	50.7	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-43.4	169.3	-78.8	163.7	0	0	0	113.4	V147 M149 V189 F190 W196 K197 E198 I201	V147-L193 HydrophobicContact CB-CD2 4.08Å; V147-L193 HydrophobicContact CG1-CD2 4.31Å; V147-L193 HydrophobicContact CG2-CD2 3.48Å; V147-L193 VanDerWaalsContact CG2-CD2 3.48Å; M149-L193 HydrophobicContact CE-CD1 3.66Å; V189-L193 HydrophobicContact CG1-CD1 4.04Å; V189-L193 WeakPolarHBondContact O-CB 3.45Å; V189-L193 WeakPolarHBondContact O-CG 3.32Å; V189-L193 PolarHBondContact O-N 2.66Å; F190-L193 HydrophobicContact CD1-CD1 3.62Å; F190-L193 HydrophobicContact CE1-CD1 3.98Å; F190-L193 PolarHBondContact O-N 2.84Å; L193-W196 CarbonylContact O-C 3.11Å; L193-W196 WeakPolarHBondContact O-CA 3.34Å; L193-W196 PolarHBondContact O-N 3.03Å; L193-K197 PolarHBondContact O-N 3.13Å; L193-E198 HydrophobicContact CD2-CB 4.4Å; L193-E198 PolarHBondContact O-N 3.44Å; L193-I201 HydrophobicContact CD1-CD1 4.01Å; L193-I201 HydrophobicContact CD2-CD1 4.16Å; L193-I201 HydrophobicContact CD2-CG1 4.49Å
194	D	72.8	Confident	77.3	Confident	78 Å²	78	50 Å²	50	42%	0.417	24%	0.243	S	C	.	.	H	α-helix	trans	-64.8	-41.6	176.2	-82.2	-27.2	0	0	0	111.4	F190 W196 K197 K222	F190-D194 WeakPolarHBondContact O-CB 3.46Å; F190-D194 PolarHBondContact O-N 3.2Å; D194-W196 PolarHBondContact O-N 3.27Å; D194-K197 PolarHBondContact O-N 3.08Å; D194-K222 IonicContact OD1-NZ 2.79Å; D194-K222 PolarHBondContact OD1-NZ 3.03Å; D194-K222 IonicContact OD2-NZ 2.79Å; D194-K222 PolarHBondContact OD2-NZ 3.3Å
195	K	73.1	Confident	78.4	Confident	139 Å²	139	44 Å²	44	60%	0.604	21%	0.212	S	C	*	.	H	α-helix	trans	-58.4	-37.3	170.1	-177	-178.4	-179.6	-178.3	0	110.4	K191 D192 K473	K191-K195 WeakPolarHBondContact O-CB 3.37Å; K191-K195 PolarHBondContact O-N 3.43Å; D192-K195 WeakPolarHBondContact O-CB 3.37Å; D192-K195 PolarHBondContact O-N 2.93Å; K195-K473 WeakPolarHBondContact O-CE 3.17Å; K195-K473 PolarHBondContact O-NZ 3.4Å
196	W	67.6	Low	79.1	Confident	88 Å²	88	47 Å²	47	33%	0.333	22%	0.222	S	C	.	.	H	α-helix	trans	-81.2	-17.8	177.7	-62.1	-22	0	0	0	115	T174 D192 L193 D194 E198 K473	T174-W196 HydrophobicContact CG2-CH2 3.84Å; T174-W196 HydrophobicContact CG2-CZ3 3.68Å; D192-W196 HydrophobicContact CB-CH2 4.37Å; D192-W196 HydrophobicContact CB-CZ2 4.39Å; D192-W196 WeakPolarHBondContact O-CB 3.36Å; D192-W196 VanDerWaalsContact O-CD2 3.27Å; D192-W196 PolarHBondContact O-N 3.17Å; L193-W196 CarbonylContact O-C 3.11Å; L193-W196 WeakPolarHBondContact O-CA 3.34Å; L193-W196 PolarHBondContact O-N 3.03Å; D194-W196 PolarHBondContact O-N 3.27Å; W196-E198 HydrophobicContact CB-CG 4.17Å; W196-E198 WeakPolarHBondContact CB-OE1 3.28Å; W196-E198 PolarHBondContact O-N 3.16Å; W196-K473 VanDerWaalsContact CA-NZ 3.28Å; W196-K473 PolarHBondContact O-NZ 2.83Å
197	K	68.4	Low	79.6	Confident	79 Å²	79	48.1 Å²	48.1	34%	0.343	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	39.7	-174.8	-59.1	-174.2	179.4	-177.3	0	112.6	L193 D194 W474 Y483	L193-K197 PolarHBondContact O-N 3.13Å; D194-K197 PolarHBondContact O-N 3.08Å; K197-W474 PolarHBondContact NZ-O 3.49Å; K197-Y483 HydrophobicContact CB-CD1 4.03Å; K197-Y483 HydrophobicContact CB-CE1 3.87Å; K197-Y483 HydrophobicContact CB-CG 4.43Å; K197-Y483 HydrophobicContact CD-CD1 4.41Å; K197-Y483 HydrophobicContact CD-CD2 3.61Å; K197-Y483 HydrophobicContact CD-CE1 4.12Å; K197-Y483 HydrophobicContact CD-CE2 3.29Å; K197-Y483 HydrophobicContact CD-CG 4.21Å
198	E	71.9	Confident	80	Confident	16 Å²	16	53.7 Å²	53.7	8%	0.075	26%	0.255	C	S	.	.			trans	-96.8	116.8	-177.5	-78.6	170.7	-137.6	0	0	111.2	K145 V147 L193 W196	K145-E198 HydrophobicContact CD-CG 4.42Å; K145-E198 WeakPolarHBondContact CE-OE1 3.37Å; K145-E198 IonicContact NZ-OE1 2.68Å; K145-E198 PolarHBondContact NZ-OE1 3.43Å; V147-E198 WeakPolarHBondContact CG2-OE2 3.41Å; L193-E198 HydrophobicContact CD2-CB 4.4Å; L193-E198 PolarHBondContact O-N 3.44Å; W196-E198 HydrophobicContact CB-CG 4.17Å; W196-E198 WeakPolarHBondContact CB-OE1 3.28Å; W196-E198 PolarHBondContact O-N 3.16Å
199	G	78.7	Confident	80.3	Confident	16 Å²	16	50.5 Å²	50.5	17%	0.165	24%	0.239	C	C	.	.			trans	-85.7	-23.3	176.9	0	0	0	0	0	114.3	S226 F227 H228	G199-S226 VanDerWaalsContact CA-O 3.31Å; G199-S226 WeakPolarHBondContact CA-O 3.01Å; G199-F227 CarbonylContact O-C 3.59Å; G199-F227 WeakPolarHBondContact O-CA 3.5Å; G199-H228 PolarHBondContact O-N 3.34Å
200	N	90.9	Very high	80.7	Confident	46 Å²	46	49.4 Å²	49.4	25%	0.246	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	111.3	-172.7	-64.5	-19	0	0	0	110.9	W143 K145 F146 V147	W143-N200 HydrophobicContact CD2-CB 3.98Å; W143-N200 HydrophobicContact CE3-CB 3.97Å; W143-N200 HydrophobicContact CH2-CB 3.6Å; W143-N200 HydrophobicContact CZ2-CB 3.6Å; W143-N200 VanDerWaalsContact CZ2-CG 3.5Å; W143-N200 WeakPolarHBondContact CZ2-OD1 3.45Å; W143-N200 HydrophobicContact CZ3-CB 3.78Å; K145-N200 PolarHBondContact O-ND2 3.23Å; F146-N200 WeakPolarHBondContact CA-O 3.31Å; F146-N200 HydrophobicContact CB-CB 3.82Å; F146-N200 WeakPolarHBondContact CB-O 3.42Å; V147-N200 PolarHBondContact N-O 2.93Å
201	I	92.4	Very high	81.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	128.9	-175.1	-57.3	176.9	0	0	0	110.3	V147 M149 L193 I203 F227 H228 Y229 I230	V147-I201 WeakPolarHBondContact O-CA 3.49Å; M149-I201 HydrophobicContact CE-CD1 4.42Å; M149-I201 HydrophobicContact CE-CG2 3.9Å; M149-I201 HydrophobicContact CG-CG2 4.18Å; M149-I201 HydrophobicContact SD-CG2 4Å; L193-I201 HydrophobicContact CD1-CD1 4.01Å; L193-I201 HydrophobicContact CD2-CD1 4.16Å; L193-I201 HydrophobicContact CD2-CG1 4.49Å; I201-I203 HydrophobicContact CG2-CG1 4.09Å; I201-F227 HydrophobicContact CD1-CD1 4.33Å; I201-H228 PolarHBondContact N-O 2.95Å; I201-Y229 HydrophobicContact CB-CD1 3.83Å; I201-Y229 HydrophobicContact CB-CE1 3.91Å; I201-Y229 HydrophobicContact CD1-CE1 3.78Å; I201-Y229 HydrophobicContact CG1-CE1 4.34Å; I201-Y229 HydrophobicContact CG2-CD1 4.09Å; I201-Y229 HydrophobicContact CG2-CE1 4.13Å; I201-Y229 CarbonylContact O-C 3.55Å; I201-Y229 VanDerWaalsContact O-CA 3.27Å; I201-Y229 WeakPolarHBondContact O-CA 3.38Å; I201-I230 PolarHBondContact O-N 2.95Å
202	I	93.8	Very high	81.5	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	136.6	171.9	-52	-173.7	0	0	0	108.4	L134 I138 W143 F146 V147 Y148 M149 I230 A232	L134-I202 HydrophobicContact CD1-CG2 4.27Å; L134-I202 HydrophobicContact CD2-CG2 4.31Å; I138-I202 HydrophobicContact CD1-CD1 3.58Å; I138-I202 HydrophobicContact CG1-CD1 3.9Å; W143-I202 HydrophobicContact CE3-CD1 4.5Å; W143-I202 HydrophobicContact CE3-CG1 4.5Å; W143-I202 HydrophobicContact CZ3-CD1 4.23Å; W143-I202 HydrophobicContact CZ3-CG1 3.77Å; F146-I202 HydrophobicContact CD2-CD1 3.62Å; F146-I202 HydrophobicContact CD2-CG1 4.06Å; F146-I202 HydrophobicContact CE2-CD1 3.64Å; F146-I202 HydrophobicContact CG-CD1 4.36Å; F146-I202 HydrophobicContact CZ-CD1 4.38Å; V147-I202 PolarHBondContact O-N 3.1Å; Y148-I202 HydrophobicContact CD2-CB 3.96Å; Y148-I202 HydrophobicContact CD2-CD1 4.17Å; Y148-I202 HydrophobicContact CD2-CG2 3.92Å; Y148-I202 HydrophobicContact CE2-CB 4.39Å; Y148-I202 HydrophobicContact CE2-CG2 3.83Å; M149-I202 PolarHBondContact N-O 3.46Å; I202-I230 WeakPolarHBondContact CA-O 3.39Å; I202-I230 HydrophobicContact CD1-CD1 4.33Å; I202-I230 HydrophobicContact CG1-CB 4.23Å; I202-I230 HydrophobicContact CG1-CD1 4.26Å; I202-I230 HydrophobicContact CG1-CG1 4.41Å; I202-I230 HydrophobicContact CG2-CB 4.43Å; I202-A232 HydrophobicContact CG2-CB 4.38Å
203	I	91.6	Very high	82	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	111.9	179.5	-49.8	174.2	0	0	0	110	M149 I201 C205 L210 I213 L214 I217 Y229 I230 L231 A232	M149-I203 HydrophobicContact CB-CG1 4.46Å; M149-I203 HydrophobicContact SD-CG1 4.43Å; I201-I203 HydrophobicContact CG2-CG1 4.09Å; I203-C205 HydrophobicContact CG2-CB 4.32Å; I203-L210 HydrophobicContact CB-CD1 4.36Å; I203-L210 HydrophobicContact CG2-CD1 3.67Å; I203-I213 HydrophobicContact CD1-CG2 3.98Å; I203-I213 HydrophobicContact CG2-CD1 4.37Å; I203-I213 HydrophobicContact CG2-CG2 4.28Å; I203-L214 HydrophobicContact CD1-CD2 4.4Å; I203-I217 HydrophobicContact CD1-CD1 3.8Å; I203-Y229 HydrophobicContact CD1-CD1 3.91Å; I203-Y229 HydrophobicContact CD1-CE1 4.43Å; I203-I230 PolarHBondContact N-O 2.66Å; I203-L231 HydrophobicContact CB-CD2 4.3Å; I203-L231 HydrophobicContact CD1-CD2 4.12Å; I203-A232 PolarHBondContact O-N 3.09Å
204	D	91.4	Very high	82.7	Confident	13 Å²	13	45.8 Å²	45.8	7%	0.07	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	85.8	177.4	-177	-7.2	0	0	0	110	Y148 M149 Y150 S151 G155 A232	Y148-D204 HydrophobicContact CE1-CB 3.8Å; Y148-D204 PolarHBondContact OH-OD2 3.38Å; M149-D204 PolarHBondContact O-N 3.21Å; Y150-D204 WeakPolarHBondContact CA-O 3.4Å; S151-D204 PolarHBondContact N-O 3.42Å; S151-D204 VanDerWaalsContact N-O 3.15Å; G155-D204 VanDerWaalsContact CA-CG 3.49Å; G155-D204 WeakPolarHBondContact CA-OD2 3.37Å; D204-A232 HydrophobicContact CB-CB 4Å
205	C	87.2	Confident	83.3	Confident	6 Å²	6	48.2 Å²	48.2	4%	0.041	24%	0.237	C	C	.	.			trans	-141.4	152.1	-177.7	-81.1	0	0	0	0	111	I203 L210 I213	I203-C205 HydrophobicContact CG2-CB 4.32Å; C205-L210 HydrophobicContact CB-CB 4.42Å; C205-I213 HydrophobicContact CB-CD1 4.11Å
206	E	83.3	Confident	83.9	Confident	94 Å²	94	43.8 Å²	43.8	44%	0.439	22%	0.219	S	C	.	.			trans	-59.6	146.8	171	-60.2	172.6	125.6	0	0	111.3	E208 R209 L210	E206-E208 PolarHBondContact O-N 3.3Å; E206-E208 VanDerWaalsContact O-N 3.11Å; E206-R209 PolarHBondContact O-N 2.93Å; E206-R209 VanDerWaalsContact O-N 3.12Å; E206-R209 IonicContact OE2-CZ 2.74Å; E206-R209 IonicContact OE2-NH1 2.66Å; E206-R209 PolarHBondContact OE2-NH1 2.82Å; E206-R209 IonicContact OE2-NH2 2.68Å; E206-L210 WeakPolarHBondContact O-CB 3.5Å; E206-L210 PolarHBondContact O-N 2.98Å
207	T	81.8	Confident	84.8	Confident	33 Å²	33	39.6 Å²	39.6	20%	0.202	20%	0.203	C	C	.	.	H	α-helix	trans	-54	-37.9	-171.8	-52.8	0	0	0	0	113.5	L210 T211	T207-L210 PolarHBondContact O-N 2.88Å; T207-T211 WeakPolarHBondContact O-CG2 3.45Å; T207-T211 PolarHBondContact O-N 3.24Å; T207-T211 VanDerWaalsContact O-N 3.14Å
208	E	80	Confident	85.7	Confident	167 Å²	167	37.9 Å²	37.9	78%	0.78	20%	0.198	S	C	*	.	H	α-helix	trans	-64.9	-52.8	178.9	-58.7	-171.9	172.1	0	0	111.3	E206 L210 T211	E206-E208 PolarHBondContact O-N 3.3Å; E206-E208 VanDerWaalsContact O-N 3.11Å; E208-L210 VanDerWaalsContact C-N 3.29Å; E208-L210 PolarHBondContact O-N 2.77Å; E208-T211 PolarHBondContact O-N 3.26Å; E208-T211 PolarHBondContact O-OG1 3.49Å
209	R	81.8	Confident	86.4	Confident	66 Å²	66	44.2 Å²	44.2	25%	0.249	23%	0.228	C	C	.	.	H	α-helix	trans	-60.5	-38.6	176.7	-169.7	-177.9	-74	119	-10.8	111.6	S151 D153 E206 T211 G212 I213	S151-R209 PolarHBondContact OG-NH1 3.16Å; D153-R209 IonicContact OD2-CZ 3.92Å; D153-R209 IonicContact OD2-NH1 3.18Å; D153-R209 IonicContact OD2-NH2 2.64Å; D153-R209 PolarHBondContact OD2-NH2 2.88Å; E206-R209 PolarHBondContact O-N 2.93Å; E206-R209 VanDerWaalsContact O-N 3.12Å; E206-R209 IonicContact OE2-CZ 2.74Å; E206-R209 IonicContact OE2-NH1 2.66Å; E206-R209 PolarHBondContact OE2-NH1 2.82Å; E206-R209 IonicContact OE2-NH2 2.68Å; R209-T211 PolarHBondContact O-N 2.75Å; R209-G212 PolarHBondContact O-N 2.65Å; R209-I213 HydrophobicContact CG-CD1 4.27Å; R209-I213 PolarHBondContact O-N 2.75Å
210	L	86.1	Confident	86.6	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-60.4	-40.2	175.9	-178	60.1	0	0	0	112.4	I203 C205 E206 T207 E208 G212 I213 L214 L231 I239	I203-L210 HydrophobicContact CB-CD1 4.36Å; I203-L210 HydrophobicContact CG2-CD1 3.67Å; C205-L210 HydrophobicContact CB-CB 4.42Å; E206-L210 WeakPolarHBondContact O-CB 3.5Å; E206-L210 PolarHBondContact O-N 2.98Å; T207-L210 PolarHBondContact O-N 2.88Å; E208-L210 VanDerWaalsContact C-N 3.29Å; E208-L210 PolarHBondContact O-N 2.77Å; L210-G212 PolarHBondContact O-N 3.05Å; L210-I213 PolarHBondContact O-N 3.04Å; L210-L214 HydrophobicContact CD1-CD1 4.13Å; L210-L214 HydrophobicContact CD1-CD2 4.11Å; L210-L214 HydrophobicContact CD1-CG 3.88Å; L210-L214 HydrophobicContact CG-CD1 3.96Å; L210-L214 HydrophobicContact CG-CG 4.14Å; L210-L214 WeakPolarHBondContact O-CB 3.3Å; L210-L214 VanDerWaalsContact O-CG 3.31Å; L210-L214 WeakPolarHBondContact O-CG 3.39Å; L210-L214 PolarHBondContact O-N 3.41Å; L210-L231 HydrophobicContact CD1-CD2 4.31Å; L210-I239 HydrophobicContact CD2-CD1 3.56Å; L210-I239 HydrophobicContact CD2-CG1 4.33Å
211	T	85.1	Confident	86.2	Confident	62 Å²	62	46.2 Å²	46.2	38%	0.38	24%	0.243	S	C	.	.	H	α-helix	trans	-65.5	-22.8	177.3	64.2	0	0	0	0	114.1	T207 E208 R209 K215	T207-T211 WeakPolarHBondContact O-CG2 3.45Å; T207-T211 PolarHBondContact O-N 3.24Å; T207-T211 VanDerWaalsContact O-N 3.14Å; E208-T211 PolarHBondContact O-N 3.26Å; E208-T211 PolarHBondContact O-OG1 3.49Å; R209-T211 PolarHBondContact O-N 2.75Å; T211-K215 WeakPolarHBondContact O-CG 3.38Å
212	G	84.6	Confident	85.8	Confident	36 Å²	36	47.5 Å²	47.5	37%	0.371	25%	0.248	S	C	.	.	H	α-helix	trans	-73.9	-51.8	169.5	0	0	0	0	0	111.8	R209 L210 L214 K215 E216	R209-G212 PolarHBondContact O-N 2.65Å; L210-G212 PolarHBondContact O-N 3.05Å; G212-L214 VanDerWaalsContact C-N 3.28Å; G212-L214 PolarHBondContact O-N 3.01Å; G212-K215 PolarHBondContact O-N 2.95Å; G212-K215 VanDerWaalsContact O-N 3.09Å; G212-E216 PolarHBondContact O-N 3.01Å
213	I	85.9	Confident	85.4	Confident	9 Å²	9	48.6 Å²	48.6	5%	0.046	25%	0.254	C	S	.	.	H	α-helix	trans	-53.1	-44.2	177.7	-71.6	165.4	0	0	0	111.9	V178 F186 I203 C205 R209 L210 K215 E216 I217	V178-I213 HydrophobicContact CB-CD1 4.44Å; V178-I213 HydrophobicContact CG1-CD1 3.8Å; V178-I213 HydrophobicContact CG1-CG1 4.11Å; F186-I213 HydrophobicContact CZ-CB 4.45Å; F186-I213 HydrophobicContact CZ-CG1 4.32Å; F186-I213 HydrophobicContact CZ-CG2 3.96Å; I203-I213 HydrophobicContact CD1-CG2 3.98Å; I203-I213 HydrophobicContact CG2-CD1 4.37Å; I203-I213 HydrophobicContact CG2-CG2 4.28Å; C205-I213 HydrophobicContact CB-CD1 4.11Å; R209-I213 HydrophobicContact CG-CD1 4.27Å; R209-I213 PolarHBondContact O-N 2.75Å; L210-I213 PolarHBondContact O-N 3.04Å; I213-K215 VanDerWaalsContact C-N 3.34Å; I213-K215 PolarHBondContact O-N 3.43Å; I213-E216 PolarHBondContact O-N 2.89Å; I213-I217 HydrophobicContact CG2-CD1 3.9Å; I213-I217 WeakPolarHBondContact O-CG1 3.49Å; I213-I217 PolarHBondContact O-N 2.85Å
214	L	87.5	Confident	84.9	Confident	11 Å²	11	50.3 Å²	50.3	6%	0.058	27%	0.269	C	S	.	.	H	α-helix	trans	-69.3	-28.1	-178.9	-67.9	-177.8	0	0	0	113.5	I203 L210 G212 I217 V218 L231 I239 L241 L244	I203-L214 HydrophobicContact CD1-CD2 4.4Å; L210-L214 HydrophobicContact CD1-CD1 4.13Å; L210-L214 HydrophobicContact CD1-CD2 4.11Å; L210-L214 HydrophobicContact CD1-CG 3.88Å; L210-L214 HydrophobicContact CG-CD1 3.96Å; L210-L214 HydrophobicContact CG-CG 4.14Å; L210-L214 WeakPolarHBondContact O-CB 3.3Å; L210-L214 VanDerWaalsContact O-CG 3.31Å; L210-L214 WeakPolarHBondContact O-CG 3.39Å; L210-L214 PolarHBondContact O-N 3.41Å; G212-L214 VanDerWaalsContact C-N 3.28Å; G212-L214 PolarHBondContact O-N 3.01Å; L214-I217 HydrophobicContact CD2-CD1 4.07Å; L214-V218 WeakPolarHBondContact O-CG2 3.42Å; L214-V218 PolarHBondContact O-N 3.27Å; L214-L231 HydrophobicContact CD2-CD2 4.31Å; L214-I239 HydrophobicContact CD1-CG2 3.6Å; L214-L241 HydrophobicContact CD1-CD2 4.28Å; L214-L244 HydrophobicContact CB-CD1 4.13Å; L214-L244 HydrophobicContact CD1-CD1 3.94Å; L214-L244 HydrophobicContact CD2-CD1 3.89Å; L214-L244 HydrophobicContact CG-CD1 4.18Å
215	K	86.9	Confident	84.4	Confident	129 Å²	129	56.1 Å²	56.1	56%	0.561	29%	0.293	S	S	*	.	H	α-helix	trans	-71.7	-48	173.8	-73.7	173.7	-178.7	180	0	111.3	T211 G212 I213 I217 V218 E219	T211-K215 WeakPolarHBondContact O-CG 3.38Å; G212-K215 PolarHBondContact O-N 2.95Å; G212-K215 VanDerWaalsContact O-N 3.09Å; I213-K215 VanDerWaalsContact C-N 3.34Å; I213-K215 PolarHBondContact O-N 3.43Å; K215-I217 VanDerWaalsContact C-N 3.27Å; K215-I217 PolarHBondContact O-N 2.93Å; K215-V218 WeakPolarHBondContact O-CA 3.32Å; K215-V218 WeakPolarHBondContact O-CB 3.49Å; K215-V218 PolarHBondContact O-N 2.85Å; K215-E219 PolarHBondContact O-N 3.41Å
216	E	84.8	Confident	84	Confident	47 Å²	47	57.7 Å²	57.7	22%	0.22	30%	0.304	C	S	.	.	H	α-helix	trans	-56	-40.8	173.7	-75.7	-84.4	-169	0	0	111.9	F186 G212 I213 V218 E219 Q220	F186-E216 HydrophobicContact CD1-CB 3.53Å; F186-E216 HydrophobicContact CD1-CG 3.9Å; F186-E216 HydrophobicContact CE1-CB 3.53Å; F186-E216 HydrophobicContact CE1-CG 4.29Å; G212-E216 PolarHBondContact O-N 3.01Å; I213-E216 PolarHBondContact O-N 2.89Å; E216-V218 VanDerWaalsContact C-N 3.26Å; E216-V218 PolarHBondContact O-N 2.83Å; E216-E219 PolarHBondContact O-N 3.23Å; E216-Q220 WeakPolarHBondContact O-CB 3.37Å; E216-Q220 VanDerWaalsContact O-CG 3.23Å; E216-Q220 WeakPolarHBondContact O-CG 3.25Å; E216-Q220 PolarHBondContact O-N 2.96Å; E216-Q220 PolarHBondContact OE2-NE2 2.93Å
217	I	86.9	Confident	84.2	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-56.8	-38.1	173.5	-76.1	163.9	0	0	0	112.4	F190 I203 I213 L214 K215 K222 N223 Y229 L244	F190-I217 HydrophobicContact CE1-CG1 4.4Å; F190-I217 HydrophobicContact CZ-CG1 3.67Å; I203-I217 HydrophobicContact CD1-CD1 3.8Å; I213-I217 HydrophobicContact CG2-CD1 3.9Å; I213-I217 WeakPolarHBondContact O-CG1 3.49Å; I213-I217 PolarHBondContact O-N 2.85Å; L214-I217 HydrophobicContact CD2-CD1 4.07Å; K215-I217 VanDerWaalsContact C-N 3.27Å; K215-I217 PolarHBondContact O-N 2.93Å; I217-K222 HydrophobicContact CG2-CB 4.26Å; I217-K222 WeakPolarHBondContact O-CA 3.29Å; I217-K222 PolarHBondContact O-N 2.89Å; I217-N223 HydrophobicContact CG2-CB 4.47Å; I217-Y229 HydrophobicContact CD1-CD1 4.28Å; I217-Y229 HydrophobicContact CD1-CE1 3.72Å; I217-Y229 HydrophobicContact CG1-CE1 4.34Å; I217-Y229 HydrophobicContact CG2-CE1 4.5Å; I217-Y229 HydrophobicContact CG2-CE2 4.19Å; I217-L244 HydrophobicContact CG2-CD2 3.88Å
218	V	87.6	Confident	84.7	Confident	42 Å²	42	53.6 Å²	53.6	26%	0.255	28%	0.283	S	S	.	.	H	α-helix	trans	-75.9	-44.6	177.4	174.2	0	0	0	0	111.3	L214 K215 E216 Q220 G221 N223 D243 L244	L214-V218 WeakPolarHBondContact O-CG2 3.42Å; L214-V218 PolarHBondContact O-N 3.27Å; K215-V218 WeakPolarHBondContact O-CA 3.32Å; K215-V218 WeakPolarHBondContact O-CB 3.49Å; K215-V218 PolarHBondContact O-N 2.85Å; E216-V218 VanDerWaalsContact C-N 3.26Å; E216-V218 PolarHBondContact O-N 2.83Å; V218-Q220 VanDerWaalsContact C-N 3.34Å; V218-Q220 PolarHBondContact O-N 2.82Å; V218-G221 PolarHBondContact O-N 2.96Å; V218-N223 HydrophobicContact CG2-CB 4.42Å; V218-D243 HydrophobicContact CG1-CB 4.45Å; V218-D243 HydrophobicContact CG2-CB 4.22Å; V218-L244 HydrophobicContact CG2-CD2 3.67Å; V218-L244 HydrophobicContact CG2-CG 4.06Å
219	E	86.3	Confident	85.3	Confident	149 Å²	149	45.8 Å²	45.8	70%	0.696	25%	0.246	S	C	*	.	H	α-helix	trans	-63.5	-37.3	179.7	-70.6	179.8	-148.6	0	0	112.3	K215 E216 G221	K215-E219 PolarHBondContact O-N 3.41Å; E216-E219 PolarHBondContact O-N 3.23Å; E219-G221 PolarHBondContact O-N 3.46Å
220	Q	83.6	Confident	85.9	Confident	63 Å²	63	42.6 Å²	42.6	29%	0.294	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	4.4	174.4	-55.8	-56.2	-29.2	0	0	113.8	L187 F190 E216 V218 K222	L187-Q220 VanDerWaalsContact CD2-OE1 3.24Å; F190-Q220 HydrophobicContact CD2-CB 4.17Å; F190-Q220 HydrophobicContact CD2-CG 3.84Å; F190-Q220 HydrophobicContact CE2-CB 4.31Å; F190-Q220 HydrophobicContact CE2-CG 4.02Å; E216-Q220 WeakPolarHBondContact O-CB 3.37Å; E216-Q220 VanDerWaalsContact O-CG 3.23Å; E216-Q220 WeakPolarHBondContact O-CG 3.25Å; E216-Q220 PolarHBondContact O-N 2.96Å; E216-Q220 PolarHBondContact OE2-NE2 2.93Å; V218-Q220 VanDerWaalsContact C-N 3.34Å; V218-Q220 PolarHBondContact O-N 2.82Å; Q220-K222 HydrophobicContact CB-CG 3.94Å; Q220-K222 PolarHBondContact O-N 2.66Å
221	G	81.6	Confident	86.3	Confident	41 Å²	41	42.6 Å²	42.6	42%	0.423	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	22	178.6	0	0	0	0	0	114.9	V218 E219 N223	V218-G221 PolarHBondContact O-N 2.96Å; E219-G221 PolarHBondContact O-N 3.46Å; G221-N223 VanDerWaalsContact C-N 3.25Å; G221-N223 PolarHBondContact O-N 2.93Å
222	K	83.8	Confident	86.7	Confident	27 Å²	27	40 Å²	40	12%	0.117	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	8.4	-178.5	-52.6	-56.6	-178.2	-175.5	0	113.3	F190 D194 I217 Q220 A224 F227 Y229	F190-K222 HydrophobicContact CD1-CD 4.46Å; F190-K222 HydrophobicContact CD1-CG 3.85Å; F190-K222 HydrophobicContact CE1-CB 4.3Å; F190-K222 HydrophobicContact CE1-CG 3.9Å; F190-K222 HydrophobicContact CG-CG 4.27Å; F190-K222 HydrophobicContact CZ-CG 4.31Å; D194-K222 IonicContact OD1-NZ 2.79Å; D194-K222 PolarHBondContact OD1-NZ 3.03Å; D194-K222 IonicContact OD2-NZ 2.79Å; D194-K222 PolarHBondContact OD2-NZ 3.3Å; I217-K222 HydrophobicContact CG2-CB 4.26Å; I217-K222 WeakPolarHBondContact O-CA 3.29Å; I217-K222 PolarHBondContact O-N 2.89Å; Q220-K222 HydrophobicContact CB-CG 3.94Å; Q220-K222 PolarHBondContact O-N 2.66Å; K222-A224 VanDerWaalsContact C-N 3.28Å; K222-F227 HydrophobicContact CB-CE2 4.41Å; K222-F227 HydrophobicContact CB-CZ 4.47Å; K222-F227 HydrophobicContact CD-CE2 4.21Å; K222-F227 HydrophobicContact CD-CZ 3.92Å; K222-F227 VanDerWaalsContact O-CD2 3.24Å; K222-F227 WeakPolarHBondContact O-CD2 3.5Å; K222-F227 WeakPolarHBondContact O-CG 3.3Å; K222-Y229 WeakPolarHBondContact CB-OH 3.25Å; K222-Y229 WeakPolarHBondContact O-CE2 3.4Å; K222-Y229 PolarHBondContact O-OH 3.34Å
223	N	85.2	Confident	87	Confident	23 Å²	23	38.8 Å²	38.8	12%	0.123	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	9.4	172.3	64.8	-10.4	0	0	0	113.7	I217 V218 G221 L244 G247 G248 A249	I217-N223 HydrophobicContact CG2-CB 4.47Å; V218-N223 HydrophobicContact CG2-CB 4.42Å; G221-N223 VanDerWaalsContact C-N 3.25Å; G221-N223 PolarHBondContact O-N 2.93Å; N223-L244 HydrophobicContact CB-CD2 4.18Å; N223-G247 CarbonylContact O-C 3.56Å; N223-G247 WeakPolarHBondContact O-CA 3.19Å; N223-G248 PolarHBondContact O-N 3.41Å; N223-A249 VanDerWaalsContact O-CB 3.23Å; N223-A249 WeakPolarHBondContact O-CB 3.25Å; N223-A249 PolarHBondContact O-N 2.91Å
224	A	82.3	Confident	87.2	Confident	38 Å²	38	38.7 Å²	38.7	31%	0.314	20%	0.203	S	C	.	.	B	Isolated β-bridge	trans	-72.8	158.7	-179.5	0	0	0	0	0	113.7	K222 S226 F227 A249	K222-A224 VanDerWaalsContact C-N 3.28Å; A224-S226 PolarHBondContact O-N 3.33Å; A224-F227 HydrophobicContact CB-CD2 4.46Å; A224-F227 PolarHBondContact O-N 2.78Å; A224-A249 WeakPolarHBondContact O-CB 3.5Å
225	K	79.8	Confident	87.4	Confident	135 Å²	135	38.1 Å²	38.1	59%	0.587	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-26.3	-177.5	-66.8	-170.6	175	-172.4	0	117	F227 G248	K225-F227 PolarHBondContact O-N 2.63Å; K225-G248 WeakPolarHBondContact CA-O 3.37Å
226	S	80.3	Confident	87.6	Confident	38 Å²	38	32 Å²	32	27%	0.266	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	6.4	178.7	62.6	0	0	0	0	114	G199 A224 Y483	G199-S226 VanDerWaalsContact CA-O 3.31Å; G199-S226 WeakPolarHBondContact CA-O 3.01Å; A224-S226 PolarHBondContact O-N 3.33Å; S226-Y483 WeakPolarHBondContact CB-O 3.44Å
227	F	87.4	Confident	87.9	Confident	25 Å²	25	33 Å²	33	11%	0.11	18%	0.18	C	C	.	.			trans	-117.3	142.8	176.8	-66.1	-85.7	0	0	0	110.9	G199 I201 K222 A224 K225 Y229 A249 N250	G199-F227 CarbonylContact O-C 3.59Å; G199-F227 WeakPolarHBondContact O-CA 3.5Å; I201-F227 HydrophobicContact CD1-CD1 4.33Å; K222-F227 HydrophobicContact CB-CE2 4.41Å; K222-F227 HydrophobicContact CB-CZ 4.47Å; K222-F227 HydrophobicContact CD-CE2 4.21Å; K222-F227 HydrophobicContact CD-CZ 3.92Å; K222-F227 VanDerWaalsContact O-CD2 3.24Å; K222-F227 WeakPolarHBondContact O-CD2 3.5Å; K222-F227 WeakPolarHBondContact O-CG 3.3Å; A224-F227 HydrophobicContact CB-CD2 4.46Å; A224-F227 PolarHBondContact O-N 2.78Å; K225-F227 PolarHBondContact O-N 2.63Å; F227-Y229 HydrophobicContact CB-CD2 4.32Å; F227-Y229 HydrophobicContact CB-CE2 3.6Å; F227-Y229 HydrophobicContact CG-CE2 4.35Å; F227-A249 HydrophobicContact CB-CB 4.19Å; F227-A249 WeakPolarHBondContact O-CA 3.31Å; F227-A249 VanDerWaalsContact O-CB 3.32Å; F227-A249 WeakPolarHBondContact O-CB 3.4Å; F227-N250 PolarHBondContact O-N 3.46Å; F227-N250 VanDerWaalsContact O-N 3.1Å
228	H	91.1	Very high	87.9	Confident	17 Å²	17	35.1 Å²	35.1	8%	0.079	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	116.5	172.2	-176	-176.5	0	0	0	108.6	Y141 W143 G199 I201 N250 T252	Y141-H228 AromaticContact CD1-CE1 3.89Å; Y141-H228 AromaticContact CD2-CE1 3.9Å; Y141-H228 AromaticContact CE1-CE1 3.8Å; Y141-H228 AromaticContact CE2-CE1 3.81Å; Y141-H228 AromaticContact CG-CE1 3.96Å; Y141-H228 AromaticContact CZ-CE1 3.78Å; W143-H228 WeakPolarHBondContact CH2-O 3.38Å; W143-H228 HydrophobicContact CZ2-CB 3.93Å; W143-H228 AromaticContact CZ2-CG 3.68Å; W143-H228 AromaticContact CZ2-ND1 3.55Å; G199-H228 PolarHBondContact O-N 3.34Å; I201-H228 PolarHBondContact N-O 2.95Å; H228-N250 CarbonylContact C-O 3.58Å; H228-N250 VanDerWaalsContact CA-O 3.28Å; H228-N250 WeakPolarHBondContact CA-O 3.22Å; H228-N250 HydrophobicContact CB-CB 4.13Å; H228-N250 PolarHBondContact CD2-O 3.14Å; H228-T252 WeakPolarHBondContact NE2-CG2 3.47Å; H228-T252 PolarHBondContact NE2-OG1 2.92Å
229	Y	93.2	Very high	87.9	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	134.9	-179.6	-64.2	-86.9	0	0	0	111.6	I201 I203 I217 K222 F227 A249 N250 I251 T252	I201-Y229 HydrophobicContact CB-CD1 3.83Å; I201-Y229 HydrophobicContact CB-CE1 3.91Å; I201-Y229 HydrophobicContact CD1-CE1 3.78Å; I201-Y229 HydrophobicContact CG1-CE1 4.34Å; I201-Y229 HydrophobicContact CG2-CD1 4.09Å; I201-Y229 HydrophobicContact CG2-CE1 4.13Å; I201-Y229 CarbonylContact O-C 3.55Å; I201-Y229 VanDerWaalsContact O-CA 3.27Å; I201-Y229 WeakPolarHBondContact O-CA 3.38Å; I203-Y229 HydrophobicContact CD1-CD1 3.91Å; I203-Y229 HydrophobicContact CD1-CE1 4.43Å; I217-Y229 HydrophobicContact CD1-CD1 4.28Å; I217-Y229 HydrophobicContact CD1-CE1 3.72Å; I217-Y229 HydrophobicContact CG1-CE1 4.34Å; I217-Y229 HydrophobicContact CG2-CE1 4.5Å; I217-Y229 HydrophobicContact CG2-CE2 4.19Å; K222-Y229 WeakPolarHBondContact CB-OH 3.25Å; K222-Y229 WeakPolarHBondContact O-CE2 3.4Å; K222-Y229 PolarHBondContact O-OH 3.34Å; F227-Y229 HydrophobicContact CB-CD2 4.32Å; F227-Y229 HydrophobicContact CB-CE2 3.6Å; F227-Y229 HydrophobicContact CG-CE2 4.35Å; Y229-A249 HydrophobicContact CD2-CB 4.26Å; Y229-A249 HydrophobicContact CE2-CB 4.22Å; Y229-N250 PolarHBondContact N-O 3.04Å; Y229-I251 HydrophobicContact CD2-CG1 4.33Å; Y229-I251 WeakPolarHBondContact O-CA 3.34Å; Y229-T252 PolarHBondContact O-N 3.29Å; Y229-T252 PolarHBondContact O-OG1 3.09Å
230	I	95.2	Very high	87.9	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.4	166.1	-47.1	-177	0	0	0	108.6	L134 V137 I138 W143 I201 I202 I203 F254	L134-I230 HydrophobicContact CD1-CG2 3.76Å; V137-I230 HydrophobicContact CG1-CD1 4.33Å; I138-I230 HydrophobicContact CG1-CD1 4.31Å; W143-I230 HydrophobicContact CE3-CD1 3.91Å; W143-I230 HydrophobicContact CH2-CD1 3.72Å; W143-I230 HydrophobicContact CH2-CG1 3.61Å; W143-I230 HydrophobicContact CZ2-CD1 4.34Å; W143-I230 HydrophobicContact CZ2-CG1 4.36Å; W143-I230 HydrophobicContact CZ3-CD1 3.47Å; W143-I230 VanDerWaalsContact CZ3-CD1 3.47Å; W143-I230 HydrophobicContact CZ3-CG1 3.8Å; I201-I230 PolarHBondContact O-N 2.95Å; I202-I230 WeakPolarHBondContact CA-O 3.39Å; I202-I230 HydrophobicContact CD1-CD1 4.33Å; I202-I230 HydrophobicContact CG1-CB 4.23Å; I202-I230 HydrophobicContact CG1-CD1 4.26Å; I202-I230 HydrophobicContact CG1-CG1 4.41Å; I202-I230 HydrophobicContact CG2-CB 4.43Å; I203-I230 PolarHBondContact N-O 2.66Å; I230-F254 HydrophobicContact CG2-CE2 4.03Å
231	L	94	Very high	87.9	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	109.4	176.5	-53	-172.4	0	0	0	109.2	I203 L210 L214 N233 F236 I239 L241 I251 T252 G253 F254	I203-L231 HydrophobicContact CB-CD2 4.3Å; I203-L231 HydrophobicContact CD1-CD2 4.12Å; L210-L231 HydrophobicContact CD1-CD2 4.31Å; L214-L231 HydrophobicContact CD2-CD2 4.31Å; L231-N233 PolarHBondContact O-N 3.22Å; L231-F236 HydrophobicContact CD1-CD2 4.18Å; L231-F236 HydrophobicContact CD1-CE2 3.96Å; L231-F236 HydrophobicContact CG-CE2 4.42Å; L231-I239 HydrophobicContact CD1-CD1 3.85Å; L231-L241 HydrophobicContact CD1-CD2 4.16Å; L231-I251 HydrophobicContact CD1-CG2 3.97Å; L231-I251 HydrophobicContact CG-CG2 4.02Å; L231-T252 PolarHBondContact N-O 3.04Å; L231-G253 WeakPolarHBondContact O-CA 3.24Å; L231-F254 WeakPolarHBondContact O-CD2 2.85Å
232	A	92.3	Very high	88.1	Confident	9 Å²	9	30.7 Å²	30.7	7%	0.074	17%	0.166	C	C	.	.			trans	-82.2	54.9	-176.7	0	0	0	0	0	111.9	L130 L134 I202 I203 D204	L130-A232 HydrophobicContact CD2-CB 4.17Å; L130-A232 VanDerWaalsContact CD2-O 3.25Å; L130-A232 WeakPolarHBondContact CD2-O 3.49Å; L134-A232 HydrophobicContact CD2-CB 4.24Å; I202-A232 HydrophobicContact CG2-CB 4.38Å; I203-A232 PolarHBondContact O-N 3.09Å; D204-A232 HydrophobicContact CB-CB 4Å
233	N	90.8	Very high	88	Confident	9 Å²	9	33 Å²	33	5%	0.048	18%	0.179	C	C	.	.			trans	-131.9	150.7	176.3	82.9	-56.9	0	0	0	111.8	L231 G235 F254	L231-N233 PolarHBondContact O-N 3.22Å; N233-G235 VanDerWaalsContact C-N 3.29Å; N233-G235 PolarHBondContact ND2-N 3.02Å; N233-G235 PolarHBondContact ND2-O 3.19Å; N233-G235 PolarHBondContact O-N 2.81Å; N233-F254 CarbonylContact O-C 3.58Å; N233-F254 WeakPolarHBondContact O-CB 3.36Å; N233-F254 PolarHBondContact O-N 3.44Å
234	L	91.8	Very high	87.9	Confident	7 Å²	7	32.1 Å²	32.1	4%	0.037	18%	0.175	C	C	.	.	S	Bend	trans	-84.4	6.4	-176.6	-70.8	168.5	0	0	0	114.8	R127 P128 L130 F254 L256 Y288 V366	R127-L234 HydrophobicContact CG-CD1 3.65Å; P128-L234 HydrophobicContact CG-CD1 4Å; L130-L234 HydrophobicContact CD1-CD2 3.96Å; L234-F254 CarbonylContact C-O 3.51Å; L234-F254 HydrophobicContact CD2-CB 4.46Å; L234-L256 HydrophobicContact CB-CB 4.22Å; L234-L256 HydrophobicContact CD1-CD2 4.5Å; L234-L256 HydrophobicContact CD2-CB 4.45Å; L234-L256 PolarHBondContact O-N 3.49Å; L234-Y288 HydrophobicContact CB-CD2 3.85Å; L234-Y288 HydrophobicContact CB-CE2 3.97Å; L234-Y288 HydrophobicContact CB-CG 4.35Å; L234-Y288 HydrophobicContact CD1-CE2 4.47Å; L234-V366 HydrophobicContact CD2-CG1 3.94Å; L234-V366 HydrophobicContact CD2-CG2 4.26Å
235	G	90.9	Very high	87.9	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-135.2	61.3	-176.8	0	0	0	0	0	111.1	N233 L237 D238 F254	N233-G235 VanDerWaalsContact C-N 3.29Å; N233-G235 PolarHBondContact ND2-N 3.02Å; N233-G235 PolarHBondContact ND2-O 3.19Å; N233-G235 PolarHBondContact O-N 2.81Å; G235-L237 PolarHBondContact O-N 3.32Å; G235-D238 WeakPolarHBondContact O-CB 3.3Å; G235-D238 PolarHBondContact O-N 3.32Å; G235-F254 PolarHBondContact N-O 3.25Å
236	F	92	Very high	87.9	Confident	1 Å²	1	36.9 Å²	36.9	0%	0.004	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-56	-34.3	176.9	-170	-110.1	0	0	0	112.8	L231 D238 L241 I251 F254 Q255 M369 L371 P376	L231-F236 HydrophobicContact CD1-CD2 4.18Å; L231-F236 HydrophobicContact CD1-CE2 3.96Å; L231-F236 HydrophobicContact CG-CE2 4.42Å; F236-D238 VanDerWaalsContact C-N 3.3Å; F236-D238 PolarHBondContact O-N 2.88Å; F236-L241 HydrophobicContact CD1-CD1 4.25Å; F236-L241 HydrophobicContact CD2-CD1 4.39Å; F236-L241 HydrophobicContact CE1-CD1 3.74Å; F236-L241 HydrophobicContact CE2-CD1 3.9Å; F236-L241 HydrophobicContact CZ-CD1 3.56Å; F236-I251 HydrophobicContact CE2-CG2 4.01Å; F236-I251 HydrophobicContact CZ-CG2 4.24Å; F236-F254 WeakPolarHBondContact CB-O 3.1Å; F236-F254 PolarHBondContact N-O 3.47Å; F236-Q255 VanDerWaalsContact N-OE1 3.13Å; F236-M369 HydrophobicContact CB-CB 4.37Å; F236-M369 HydrophobicContact CB-CG 4.44Å; F236-M369 HydrophobicContact CD1-CB 3.38Å; F236-M369 HydrophobicContact CD1-CG 4.08Å; F236-M369 HydrophobicContact CE1-CB 3.72Å; F236-M369 HydrophobicContact CG-CB 3.99Å; F236-L371 HydrophobicContact CZ-CB 4.3Å; F236-P376 HydrophobicContact CD1-CB 4.17Å; F236-P376 HydrophobicContact CE1-CB 3.88Å
237	L	89.1	Confident	87.6	Confident	67 Å²	67	36.2 Å²	36.2	35%	0.351	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-78.3	-9.2	177.4	-61.1	-179.8	0	0	0	114.1	G235 I239 Q255 M369 P376	G235-L237 PolarHBondContact O-N 3.32Å; L237-I239 VanDerWaalsContact C-N 3.27Å; L237-Q255 HydrophobicContact CD1-CG 4.05Å; L237-Q255 HydrophobicContact CG-CG 4.22Å; L237-M369 HydrophobicContact CD2-CE 4.24Å; L237-P376 HydrophobicContact CD2-CB 3.75Å; L237-P376 HydrophobicContact CD2-CG 3.46Å; L237-P376 VanDerWaalsContact CD2-CG 3.46Å
238	D	87.8	Confident	87.3	Confident	45 Å²	45	36.7 Å²	36.7	24%	0.241	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-84.7	-3	178.4	-59.2	-6.5	0	0	0	112.1	G235 F236 K287 Y288	G235-D238 WeakPolarHBondContact O-CB 3.3Å; G235-D238 PolarHBondContact O-N 3.32Å; F236-D238 VanDerWaalsContact C-N 3.3Å; F236-D238 PolarHBondContact O-N 2.88Å; D238-K287 VanDerWaalsContact OD2-CA 3.23Å; D238-K287 WeakPolarHBondContact OD2-CA 3.28Å; D238-K287 WeakPolarHBondContact OD2-CB 3.47Å; D238-Y288 WeakPolarHBondContact OD2-CD1 3.41Å; D238-Y288 PolarHBondContact OD2-N 3.39Å
239	I	87.3	Confident	87.1	Confident	15 Å²	15	36.2 Å²	36.2	8%	0.077	20%	0.195	C	C	.	.	S	Bend	trans	-105.8	137.3	-175.6	-54.2	164.9	0	0	0	109.8	L210 L214 L231 L237 L241	L210-I239 HydrophobicContact CD2-CD1 3.56Å; L210-I239 HydrophobicContact CD2-CG1 4.33Å; L214-I239 HydrophobicContact CD1-CG2 3.6Å; L231-I239 HydrophobicContact CD1-CD1 3.85Å; L237-I239 VanDerWaalsContact C-N 3.27Å; I239-L241 HydrophobicContact CB-CD2 4.24Å; I239-L241 HydrophobicContact CB-CG 4.37Å; I239-L241 HydrophobicContact CG2-CD2 3.71Å; I239-L241 HydrophobicContact CG2-CG 4.23Å; I239-L241 PolarHBondContact O-N 2.87Å
240	D	85.8	Confident	86.9	Confident	112 Å²	112	39.9 Å²	39.9	60%	0.599	21%	0.214	S	C	*	.			trans	-74.9	106.8	166.5	-169	-14.3	0	0	0	110.6	T242	D240-T242 VanDerWaalsContact OD1-CB 3.22Å; D240-T242 WeakPolarHBondContact OD1-CB 3.22Å; D240-T242 WeakPolarHBondContact OD1-CG2 3.43Å; D240-T242 PolarHBondContact OD1-N 3.17Å; D240-T242 PolarHBondContact OD1-OG1 2.82Å
241	L	85.1	Confident	86.8	Confident	14 Å²	14	39.9 Å²	39.9	7%	0.073	22%	0.215	C	C	.	.			trans	-101.8	10.2	177.4	-58.6	175.9	0	0	0	112.7	L214 L231 F236 I239 D243 L244 R245 L371	L214-L241 HydrophobicContact CD1-CD2 4.28Å; L231-L241 HydrophobicContact CD1-CD2 4.16Å; F236-L241 HydrophobicContact CD1-CD1 4.25Å; F236-L241 HydrophobicContact CD2-CD1 4.39Å; F236-L241 HydrophobicContact CE1-CD1 3.74Å; F236-L241 HydrophobicContact CE2-CD1 3.9Å; F236-L241 HydrophobicContact CZ-CD1 3.56Å; I239-L241 HydrophobicContact CB-CD2 4.24Å; I239-L241 HydrophobicContact CB-CG 4.37Å; I239-L241 HydrophobicContact CG2-CD2 3.71Å; I239-L241 HydrophobicContact CG2-CG 4.23Å; I239-L241 PolarHBondContact O-N 2.87Å; L241-D243 PolarHBondContact O-N 3.23Å; L241-L244 HydrophobicContact CD2-CD1 3.75Å; L241-L244 PolarHBondContact O-N 3.22Å; L241-R245 WeakPolarHBondContact O-CB 3.27Å; L241-R245 PolarHBondContact O-N 3.42Å; L241-R245 VanDerWaalsContact O-N 3.08Å; L241-L371 HydrophobicContact CB-CD1 4.06Å; L241-L371 HydrophobicContact CB-CD2 3.99Å; L241-L371 HydrophobicContact CD1-CD1 4.13Å; L241-L371 HydrophobicContact CD1-CD2 4.42Å
242	T	84.4	Confident	86.8	Confident	61 Å²	61	39.9 Å²	39.9	37%	0.374	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-31.8	-169.1	58.7	0	0	0	0	114.3	D240	D240-T242 VanDerWaalsContact OD1-CB 3.22Å; D240-T242 WeakPolarHBondContact OD1-CB 3.22Å; D240-T242 WeakPolarHBondContact OD1-CG2 3.43Å; D240-T242 PolarHBondContact OD1-N 3.17Å; D240-T242 PolarHBondContact OD1-OG1 2.82Å
243	D	82.3	Confident	86.9	Confident	75 Å²	75	39.5 Å²	39.5	40%	0.401	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-39.3	175.2	-77.1	-41.9	0	0	0	112.8	V218 L241 R245 K246	V218-D243 HydrophobicContact CG1-CB 4.45Å; V218-D243 HydrophobicContact CG2-CB 4.22Å; L241-D243 PolarHBondContact O-N 3.23Å; D243-R245 VanDerWaalsContact C-N 3.32Å; D243-R245 PolarHBondContact O-N 3.46Å; D243-K246 VanDerWaalsContact O-CB 3.32Å; D243-K246 WeakPolarHBondContact O-CB 3.35Å; D243-K246 PolarHBondContact O-N 2.85Å; D243-K246 VanDerWaalsContact O-N 3.13Å; D243-K246 WeakPolarHBondContact OD1-CE 3.28Å; D243-K246 IonicContact OD1-NZ 2.87Å; D243-K246 PolarHBondContact OD1-NZ 3.14Å
244	L	82.9	Confident	87.1	Confident	5 Å²	5	39.1 Å²	39.1	3%	0.026	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-63	-39.3	177.5	-69.4	160.8	0	0	0	111.9	L214 I217 V218 N223 L241 K246 G247 I251 L371	L214-L244 HydrophobicContact CB-CD1 4.13Å; L214-L244 HydrophobicContact CD1-CD1 3.94Å; L214-L244 HydrophobicContact CD2-CD1 3.89Å; L214-L244 HydrophobicContact CG-CD1 4.18Å; I217-L244 HydrophobicContact CG2-CD2 3.88Å; V218-L244 HydrophobicContact CG2-CD2 3.67Å; V218-L244 HydrophobicContact CG2-CG 4.06Å; N223-L244 HydrophobicContact CB-CD2 4.18Å; L241-L244 HydrophobicContact CD2-CD1 3.75Å; L241-L244 PolarHBondContact O-N 3.22Å; L244-K246 PolarHBondContact O-N 3.23Å; L244-G247 PolarHBondContact O-N 3.18Å; L244-I251 HydrophobicContact CB-CD1 3.63Å; L244-I251 HydrophobicContact CD1-CD1 3.83Å; L244-I251 HydrophobicContact CD2-CD1 4.05Å; L244-I251 HydrophobicContact CG-CD1 4.04Å; L244-L371 HydrophobicContact CB-CD2 4.4Å
245	R	82	Confident	87.2	Confident	116 Å²	116	39.1 Å²	39.1	44%	0.438	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-54.1	-20.8	174.4	-174.5	176	58.8	168	-4.7	113.8	L241 D243 L371	L241-R245 WeakPolarHBondContact O-CB 3.27Å; L241-R245 PolarHBondContact O-N 3.42Å; L241-R245 VanDerWaalsContact O-N 3.08Å; D243-R245 VanDerWaalsContact C-N 3.32Å; D243-R245 PolarHBondContact O-N 3.46Å; R245-L371 HydrophobicContact CB-CD2 4.19Å
246	K	79.6	Confident	87.3	Confident	157 Å²	157	39.4 Å²	39.4	68%	0.683	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-80	-25.5	178.4	-56.6	169.3	-173.2	168.6	0	113.4	D243 L244	D243-K246 VanDerWaalsContact O-CB 3.32Å; D243-K246 WeakPolarHBondContact O-CB 3.35Å; D243-K246 PolarHBondContact O-N 2.85Å; D243-K246 VanDerWaalsContact O-N 3.13Å; D243-K246 WeakPolarHBondContact OD1-CE 3.28Å; D243-K246 IonicContact OD1-NZ 2.87Å; D243-K246 PolarHBondContact OD1-NZ 3.14Å; L244-K246 PolarHBondContact O-N 3.23Å
247	G	75.5	Confident	87.4	Confident	24 Å²	24	39.5 Å²	39.5	25%	0.247	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-29.5	-174.6	0	0	0	0	0	114.6	N223 L244	N223-G247 CarbonylContact O-C 3.56Å; N223-G247 WeakPolarHBondContact O-CA 3.19Å; L244-G247 PolarHBondContact O-N 3.18Å
248	G	80	Confident	87.4	Confident	34 Å²	34	39.3 Å²	39.3	35%	0.351	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	85.2	9.6	176.4	0	0	0	0	0	116	N223 K225	N223-G248 PolarHBondContact O-N 3.41Å; K225-G248 WeakPolarHBondContact CA-O 3.37Å
249	A	86.4	Confident	87.3	Confident	7 Å²	7	40.7 Å²	40.7	6%	0.058	22%	0.218	C	C	.	.			trans	-56.6	145.2	160	0	0	0	0	0	110.9	N223 A224 F227 Y229	N223-A249 VanDerWaalsContact O-CB 3.23Å; N223-A249 WeakPolarHBondContact O-CB 3.25Å; N223-A249 PolarHBondContact O-N 2.91Å; A224-A249 WeakPolarHBondContact O-CB 3.5Å; F227-A249 HydrophobicContact CB-CB 4.19Å; F227-A249 WeakPolarHBondContact O-CA 3.31Å; F227-A249 VanDerWaalsContact O-CB 3.32Å; F227-A249 WeakPolarHBondContact O-CB 3.4Å; Y229-A249 HydrophobicContact CD2-CB 4.26Å; Y229-A249 HydrophobicContact CE2-CB 4.22Å
250	N	89.8	Confident	87.2	Confident	79 Å²	79	45.2 Å²	45.2	42%	0.422	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	135.5	169.7	-70.7	-6.7	0	0	0	108.7	F227 H228 Y229	F227-N250 PolarHBondContact O-N 3.46Å; F227-N250 VanDerWaalsContact O-N 3.1Å; H228-N250 CarbonylContact C-O 3.58Å; H228-N250 VanDerWaalsContact CA-O 3.28Å; H228-N250 WeakPolarHBondContact CA-O 3.22Å; H228-N250 HydrophobicContact CB-CB 4.13Å; H228-N250 PolarHBondContact CD2-O 3.14Å; Y229-N250 PolarHBondContact N-O 3.04Å
251	I	92.9	Very high	87.3	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	121.9	177.7	-53.2	-171.6	0	0	0	108.9	Y229 L231 F236 L244 E370 L371	Y229-I251 HydrophobicContact CD2-CG1 4.33Å; Y229-I251 WeakPolarHBondContact O-CA 3.34Å; L231-I251 HydrophobicContact CD1-CG2 3.97Å; L231-I251 HydrophobicContact CG-CG2 4.02Å; F236-I251 HydrophobicContact CE2-CG2 4.01Å; F236-I251 HydrophobicContact CZ-CG2 4.24Å; L244-I251 HydrophobicContact CB-CD1 3.63Å; L244-I251 HydrophobicContact CD1-CD1 3.83Å; L244-I251 HydrophobicContact CD2-CD1 4.05Å; L244-I251 HydrophobicContact CG-CD1 4.04Å; I251-E370 CarbonylContact O-C 3.6Å; I251-E370 WeakPolarHBondContact O-CA 3.38Å; I251-L371 HydrophobicContact CB-CB 4.04Å; I251-L371 HydrophobicContact CB-CD2 4.27Å; I251-L371 HydrophobicContact CD1-CD2 4.06Å; I251-L371 HydrophobicContact CG1-CD2 4.38Å; I251-L371 PolarHBondContact O-N 2.89Å
252	T	93.6	Very high	87.5	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	160	178.1	56.3	0	0	0	0	110.8	Y141 H228 Y229 L231 M369 E370	Y141-T252 HydrophobicContact CE2-CG2 4.03Å; Y141-T252 VanDerWaalsContact OH-CG2 3.3Å; Y141-T252 WeakPolarHBondContact OH-CG2 3.31Å; H228-T252 WeakPolarHBondContact NE2-CG2 3.47Å; H228-T252 PolarHBondContact NE2-OG1 2.92Å; Y229-T252 PolarHBondContact O-N 3.29Å; Y229-T252 PolarHBondContact O-OG1 3.09Å; L231-T252 PolarHBondContact N-O 3.04Å; T252-M369 CarbonylContact C-O 3.51Å; T252-M369 VanDerWaalsContact CA-O 3.26Å; T252-M369 WeakPolarHBondContact CA-O 3.48Å; T252-E370 HydrophobicContact CG2-CB 4.25Å; T252-E370 HydrophobicContact CG2-CG 4.02Å
253	G	94.4	Very high	87.7	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.6	-174	175.7	0	0	0	0	0	112	L231 M369	L231-G253 WeakPolarHBondContact O-CA 3.24Å; G253-M369 PolarHBondContact N-O 3.36Å; G253-M369 PolarHBondContact O-N 3.5Å
254	F	94.9	Very high	88.1	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	142.1	-165.8	-53.6	-94.5	0	0	0	111.8	L130 A133 L134 V137 I230 L231 N233 L234 G235 F236 V366 V368	L130-F254 HydrophobicContact CD1-CB 4.1Å; L130-F254 HydrophobicContact CD1-CD1 3.92Å; L130-F254 HydrophobicContact CD1-CD2 3.83Å; L130-F254 HydrophobicContact CD1-CE1 4.32Å; L130-F254 HydrophobicContact CD1-CE2 4.26Å; L130-F254 HydrophobicContact CD1-CG 3.67Å; L130-F254 HydrophobicContact CD1-CZ 4.5Å; L130-F254 HydrophobicContact CD2-CD2 4.42Å; A133-F254 HydrophobicContact CB-CE1 4.23Å; L134-F254 HydrophobicContact CB-CZ 4.38Å; L134-F254 HydrophobicContact CD1-CE2 4.02Å; L134-F254 HydrophobicContact CD1-CZ 4.08Å; V137-F254 HydrophobicContact CB-CZ 4.22Å; V137-F254 HydrophobicContact CG2-CE1 3.75Å; V137-F254 HydrophobicContact CG2-CZ 3.91Å; I230-F254 HydrophobicContact CG2-CE2 4.03Å; L231-F254 WeakPolarHBondContact O-CD2 2.85Å; N233-F254 CarbonylContact O-C 3.58Å; N233-F254 WeakPolarHBondContact O-CB 3.36Å; N233-F254 PolarHBondContact O-N 3.44Å; L234-F254 CarbonylContact C-O 3.51Å; L234-F254 HydrophobicContact CD2-CB 4.46Å; G235-F254 PolarHBondContact N-O 3.25Å; F236-F254 WeakPolarHBondContact CB-O 3.1Å; F236-F254 PolarHBondContact N-O 3.47Å; F254-V366 HydrophobicContact CB-CG1 3.69Å; F254-V366 HydrophobicContact CD1-CG1 3.92Å; F254-V366 HydrophobicContact CG-CG1 4.26Å; F254-V368 HydrophobicContact CD1-CG2 3.96Å; F254-V368 HydrophobicContact CE1-CG2 3.93Å
255	Q	94.4	Very high	88.4	Confident	7 Å²	7	45.8 Å²	45.8	3%	0.033	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	114.1	-179.1	-176.7	63.8	28.6	0	0	109.5	F236 L237 V257 S367 M369	F236-Q255 VanDerWaalsContact N-OE1 3.13Å; L237-Q255 HydrophobicContact CD1-CG 4.05Å; L237-Q255 HydrophobicContact CG-CG 4.22Å; Q255-V257 WeakPolarHBondContact CG-O 3.5Å; Q255-V257 PolarHBondContact NE2-O 3.18Å; Q255-S367 PolarHBondContact N-O 3.02Å; Q255-S367 WeakPolarHBondContact O-CB 3.41Å; Q255-S367 PolarHBondContact O-N 3.04Å; Q255-M369 HydrophobicContact CB-CG 3.56Å; Q255-M369 HydrophobicContact CB-SD 4.26Å; Q255-M369 HydrophobicContact CG-CG 4.49Å
256	L	93.8	Very high	88.9	Confident	7 Å²	7	47.4 Å²	47.4	4%	0.037	27%	0.268	C	S	.	.			trans	-85.4	-36.8	178.6	-176.7	63.4	0	0	0	112.7	P128 L234 L292 T350	P128-L256 HydrophobicContact CG-CD1 4.05Å; P128-L256 HydrophobicContact CG-CD2 4.08Å; L234-L256 HydrophobicContact CB-CB 4.22Å; L234-L256 HydrophobicContact CD1-CD2 4.5Å; L234-L256 HydrophobicContact CD2-CB 4.45Å; L234-L256 PolarHBondContact O-N 3.49Å; L256-L292 HydrophobicContact CD2-CD1 4.47Å; L256-L292 HydrophobicContact CD2-CD2 4.01Å; L256-L292 HydrophobicContact CD2-CG 4.34Å; L256-T350 HydrophobicContact CD2-CG2 3.68Å; L256-T350 HydrophobicContact CG-CG2 3.86Å
257	V	92.8	Very high	89.4	Confident	3 Å²	3	41 Å²	41	2%	0.018	24%	0.241	C	C	.	.	S	Bend	trans	-89.5	118.3	-178.1	-177.3	0	0	0	0	110.2	Q255 N259 V264 A291 T350	Q255-V257 WeakPolarHBondContact CG-O 3.5Å; Q255-V257 PolarHBondContact NE2-O 3.18Å; V257-N259 PolarHBondContact O-N 2.64Å; V257-V264 HydrophobicContact CG1-CG1 3.79Å; V257-A291 HydrophobicContact CG2-CB 3.48Å; V257-A291 VanDerWaalsContact CG2-CB 3.48Å; V257-T350 HydrophobicContact CG2-CG2 4.08Å
258	N	89.7	Confident	90	Very high	62 Å²	62	41.2 Å²	41.2	33%	0.332	24%	0.238	S	C	.	.			trans	-90	85.9	-178.6	-177	19.8	0	0	0	112.2	S260 E261	N258-S260 PolarHBondContact O-N 3.45Å; N258-S260 WeakPolarHBondContact OD1-CB 3.22Å; N258-S260 PolarHBondContact OD1-N 2.85Å; N258-E261 PolarHBondContact O-N 2.92Å
259	N	85.1	Confident	90.3	Very high	75 Å²	75	45 Å²	45	40%	0.401	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-11	179.5	-69.1	-17.3	0	0	0	114.7	V257 E261	V257-N259 PolarHBondContact O-N 2.64Å; N259-E261 VanDerWaalsContact C-N 3.33Å
260	S	85.8	Confident	90.4	Very high	110 Å²	110	47.9 Å²	47.9	77%	0.769	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-10.6	173.5	-58	0	0	0	0	113.6	N258	N258-S260 PolarHBondContact O-N 3.45Å; N258-S260 WeakPolarHBondContact OD1-CB 3.22Å; N258-S260 PolarHBondContact OD1-N 2.85Å
261	E	88.6	Confident	90.3	Very high	80 Å²	80	45.2 Å²	45.2	37%	0.374	24%	0.243	S	C	.	.	S	Bend	trans	-82.2	129.8	178.3	-159.4	-177.4	135.7	0	0	111.2	N258 N259 S263 V264 S265	N258-E261 PolarHBondContact O-N 2.92Å; N259-E261 VanDerWaalsContact C-N 3.33Å; E261-S263 WeakPolarHBondContact CG-OG 3.35Å; E261-S263 PolarHBondContact O-N 3.35Å; E261-S263 PolarHBondContact OE1-OG 3.42Å; E261-V264 HydrophobicContact CB-CB 4.33Å; E261-V264 HydrophobicContact CB-CG2 4.05Å; E261-V264 PolarHBondContact O-N 3.44Å; E261-S265 WeakPolarHBondContact O-CB 3.37Å; E261-S265 PolarHBondContact O-N 2.88Å
262	P	89.6	Confident	89.8	Confident	107 Å²	107	49.7 Å²	49.7	70%	0.695	27%	0.265	S	S	*	.	H	α-helix	trans	-60.8	-30.1	-177	-26.5	35.3	0	0	0	114.6	R266	P262-R266 WeakPolarHBondContact O-CB 3.23Å; P262-R266 PolarHBondContact O-N 3.49Å; P262-R266 VanDerWaalsContact O-N 3.16Å
263	S	88.6	Confident	89.3	Confident	46 Å²	46	56.9 Å²	56.9	32%	0.322	30%	0.298	S	S	.	.	H	α-helix	trans	-62.1	-51.5	176.5	60.1	0	0	0	0	111.3	E261 I267	E261-S263 WeakPolarHBondContact CG-OG 3.35Å; E261-S263 PolarHBondContact O-N 3.35Å; E261-S263 PolarHBondContact OE1-OG 3.42Å; S263-I267 PolarHBondContact O-N 2.92Å
264	V	90.5	Very high	88.6	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.006	31%	0.31	C	S	.	.	H	α-helix	trans	-67.4	-49.5	178.9	-179.8	0	0	0	0	110	V257 E261 R266 I267 V268 L349	V257-V264 HydrophobicContact CG1-CG1 3.79Å; E261-V264 HydrophobicContact CB-CB 4.33Å; E261-V264 HydrophobicContact CB-CG2 4.05Å; E261-V264 PolarHBondContact O-N 3.44Å; V264-R266 VanDerWaalsContact C-N 3.29Å; V264-R266 PolarHBondContact O-N 3.27Å; V264-I267 PolarHBondContact O-N 2.84Å; V264-V268 HydrophobicContact CG1-CG2 4.21Å; V264-V268 WeakPolarHBondContact O-CG2 3.48Å; V264-V268 PolarHBondContact O-N 2.7Å; V264-L349 HydrophobicContact CB-CD2 4.41Å; V264-L349 HydrophobicContact CG1-CD2 4.24Å; V264-L349 HydrophobicContact CG2-CD2 4.3Å
265	S	89.4	Confident	87.2	Confident	44 Å²	44	65 Å²	65	31%	0.308	34%	0.339	S	S	.	.	H	α-helix	trans	-55.2	-43.3	-178.8	-168	0	0	0	0	112.2	E261 V268 Q269	E261-S265 WeakPolarHBondContact O-CB 3.37Å; E261-S265 PolarHBondContact O-N 2.88Å; S265-V268 PolarHBondContact O-N 3.07Å; S265-Q269 WeakPolarHBondContact O-CG 3.22Å; S265-Q269 PolarHBondContact O-N 3.26Å
266	R	90.6	Very high	85.7	Confident	150 Å²	150	65.9 Å²	65.9	57%	0.566	34%	0.344	S	S	*	.	H	α-helix	trans	-62.6	-42.6	174.7	-175.5	-174.4	64.3	163.1	0.2	112.7	P262 V264 V268 Q269 Q270	P262-R266 WeakPolarHBondContact O-CB 3.23Å; P262-R266 PolarHBondContact O-N 3.49Å; P262-R266 VanDerWaalsContact O-N 3.16Å; V264-R266 VanDerWaalsContact C-N 3.29Å; V264-R266 PolarHBondContact O-N 3.27Å; R266-V268 VanDerWaalsContact C-N 3.35Å; R266-Q269 WeakPolarHBondContact O-CB 3.47Å; R266-Q269 PolarHBondContact O-N 2.84Å; R266-Q270 VanDerWaalsContact O-CG 3.31Å; R266-Q270 WeakPolarHBondContact O-CG 3.45Å; R266-Q270 PolarHBondContact O-N 3.44Å
267	I	90.1	Very high	84	Confident	22 Å²	22	74.4 Å²	74.4	11%	0.113	38%	0.381	C	S	.	.	H	α-helix	trans	-70.4	-34.5	179.8	-64.9	166.6	0	0	0	110.8	F45 S263 V264 Q270 W271 Y294 L349	F45-I267 HydrophobicContact CE1-CG2 3.96Å; F45-I267 HydrophobicContact CZ-CG2 4.21Å; S263-I267 PolarHBondContact O-N 2.92Å; V264-I267 PolarHBondContact O-N 2.84Å; I267-Q270 PolarHBondContact O-N 2.9Å; I267-W271 WeakPolarHBondContact O-CB 3.33Å; I267-W271 PolarHBondContact O-N 2.89Å; I267-Y294 HydrophobicContact CD1-CE1 4.42Å; I267-Y294 HydrophobicContact CG2-CE1 4.42Å; I267-Y294 HydrophobicContact CG2-CE2 4.14Å; I267-L349 HydrophobicContact CB-CD2 3.91Å; I267-L349 HydrophobicContact CD1-CD2 3.71Å; I267-L349 HydrophobicContact CG1-CD2 4.4Å; I267-L349 HydrophobicContact CG2-CD1 4.16Å; I267-L349 HydrophobicContact CG2-CD2 3.92Å
268	V	88.2	Confident	82.2	Confident	30 Å²	30	79.3 Å²	79.3	18%	0.182	41%	0.407	C	S	.	.	H	α-helix	trans	-66.2	-37.4	172.2	174.3	0	0	0	0	111.5	V264 S265 R266 W271 M272 L286	V264-V268 HydrophobicContact CG1-CG2 4.21Å; V264-V268 WeakPolarHBondContact O-CG2 3.48Å; V264-V268 PolarHBondContact O-N 2.7Å; S265-V268 PolarHBondContact O-N 3.07Å; R266-V268 VanDerWaalsContact C-N 3.35Å; V268-W271 WeakPolarHBondContact O-CB 3.26Å; V268-W271 PolarHBondContact O-N 2.91Å; V268-M272 WeakPolarHBondContact O-CG 3.32Å; V268-M272 PolarHBondContact O-N 3.1Å; V268-M272 VanDerWaalsContact O-N 3.08Å; V268-L286 HydrophobicContact CG2-CB 4.36Å; V268-L286 HydrophobicContact CG2-CD2 4.06Å
269	Q	87.6	Confident	80.6	Confident	114 Å²	114	78.4 Å²	78.4	53%	0.533	41%	0.405	S	S	.	.	H	α-helix	trans	-63.1	-47.7	170.7	-73.4	169.8	-13.9	0	0	111.4	S265 R266 W271 M272 E273	S265-Q269 WeakPolarHBondContact O-CG 3.22Å; S265-Q269 PolarHBondContact O-N 3.26Å; R266-Q269 WeakPolarHBondContact O-CB 3.47Å; R266-Q269 PolarHBondContact O-N 2.84Å; Q269-W271 VanDerWaalsContact C-N 3.26Å; Q269-W271 PolarHBondContact O-N 3.15Å; Q269-M272 PolarHBondContact O-N 2.91Å; Q269-E273 WeakPolarHBondContact O-CG 3.34Å; Q269-E273 PolarHBondContact O-N 2.86Å
270	Q	88.1	Confident	79.3	Confident	67 Å²	67	84.6 Å²	84.6	31%	0.313	43%	0.429	S	S	.	.	H	α-helix	trans	-60.2	-34.3	176.6	-70.2	173.8	-58.8	0	0	112.5	F45 R266 I267 F274	F45-Q270 HydrophobicContact CE2-CB 4.29Å; F45-Q270 HydrophobicContact CZ-CB 4.1Å; R266-Q270 VanDerWaalsContact O-CG 3.31Å; R266-Q270 WeakPolarHBondContact O-CG 3.45Å; R266-Q270 PolarHBondContact O-N 3.44Å; I267-Q270 PolarHBondContact O-N 2.9Å; Q270-F274 WeakPolarHBondContact O-CB 3.28Å; Q270-F274 PolarHBondContact O-N 3.42Å
271	W	87	Confident	77.9	Confident	23 Å²	23	83.4 Å²	83.4	9%	0.087	41%	0.412	C	S	.	.	H	α-helix	trans	-64.6	-45.1	171.5	167.2	-106	0	0	0	112.3	H38 E41 V42 F45 I267 V268 Q269 E273 F274 T284 L286	H38-W271 AromaticContact CD2-CZ2 3.93Å; H38-W271 AromaticContact NE2-CZ2 3.85Å; E41-W271 HydrophobicContact CB-CH2 3.83Å; E41-W271 HydrophobicContact CB-CZ3 4.44Å; V42-W271 HydrophobicContact CB-CZ3 4.35Å; V42-W271 HydrophobicContact CG2-CD2 4.48Å; V42-W271 HydrophobicContact CG2-CE3 4.17Å; V42-W271 HydrophobicContact CG2-CH2 3.54Å; V42-W271 HydrophobicContact CG2-CZ2 3.87Å; V42-W271 HydrophobicContact CG2-CZ3 3.71Å; F45-W271 HydrophobicContact CB-CE3 3.93Å; F45-W271 HydrophobicContact CB-CZ3 3.88Å; F45-W271 AromaticContact CD1-CE3 3.98Å; F45-W271 HydrophobicContact CD1-CE3 3.98Å; F45-W271 HydrophobicContact CD2-CE3 4.05Å; F45-W271 HydrophobicContact CE1-CB 4.19Å; F45-W271 HydrophobicContact CE1-CE3 4.49Å; F45-W271 HydrophobicContact CE2-CB 4.24Å; F45-W271 AromaticContact CG-CE3 3.74Å; F45-W271 HydrophobicContact CG-CE3 3.74Å; F45-W271 HydrophobicContact CG-CZ3 4.22Å; F45-W271 HydrophobicContact CZ-CB 3.9Å; I267-W271 WeakPolarHBondContact O-CB 3.33Å; I267-W271 PolarHBondContact O-N 2.89Å; V268-W271 WeakPolarHBondContact O-CB 3.26Å; V268-W271 PolarHBondContact O-N 2.91Å; Q269-W271 VanDerWaalsContact C-N 3.26Å; Q269-W271 PolarHBondContact O-N 3.15Å; W271-E273 VanDerWaalsContact C-N 3.3Å; W271-E273 PolarHBondContact O-N 3.44Å; W271-F274 WeakPolarHBondContact O-CB 3.28Å; W271-F274 PolarHBondContact O-N 3.39Å; W271-T284 PolarHBondContact NE1-O 2.84Å; W271-L286 HydrophobicContact CD2-CD1 4.27Å; W271-L286 HydrophobicContact CG-CB 4.46Å; W271-L286 HydrophobicContact CG-CD1 4.32Å
272	M	83.4	Confident	76.4	Confident	94 Å²	94	84.5 Å²	84.5	46%	0.463	43%	0.426	S	S	.	.	H	α-helix	trans	-64.7	-35.2	177.1	-66.5	-67.6	-73.8	0	0	112.2	V268 Q269 K283	V268-M272 WeakPolarHBondContact O-CG 3.32Å; V268-M272 PolarHBondContact O-N 3.1Å; V268-M272 VanDerWaalsContact O-N 3.08Å; Q269-M272 PolarHBondContact O-N 2.91Å; M272-K283 PolarHBondContact O-NZ 2.79Å
273	E	83.4	Confident	75.2	Confident	151 Å²	151	85 Å²	85	71%	0.706	42%	0.417	S	S	*	.	H	α-helix	trans	-73.8	-30.4	175.6	-71.3	176	-178.1	0	0	113.4	Q269 W271 D275	Q269-E273 WeakPolarHBondContact O-CG 3.34Å; Q269-E273 PolarHBondContact O-N 2.86Å; W271-E273 VanDerWaalsContact C-N 3.3Å; W271-E273 PolarHBondContact O-N 3.44Å; E273-D275 PolarHBondContact O-N 3.02Å
274	F	79.7	Confident	74.1	Confident	60 Å²	60	85.9 Å²	85.9	26%	0.263	42%	0.421	S	S	.	.			trans	-56.6	109.2	-175.7	-173.5	-115.4	0	0	0	112.4	F45 Q270 W271 N276 K283	F45-F274 HydrophobicContact CB-CD1 4.19Å; F45-F274 HydrophobicContact CB-CE1 4.05Å; F45-F274 HydrophobicContact CB-CZ 4.45Å; F45-F274 HydrophobicContact CD2-CB 3.85Å; F45-F274 AromaticContact CD2-CD1 3.93Å; F45-F274 HydrophobicContact CD2-CD1 3.93Å; F45-F274 AromaticContact CD2-CD2 3.88Å; F45-F274 HydrophobicContact CD2-CD2 3.88Å; F45-F274 HydrophobicContact CD2-CE1 4.43Å; F45-F274 HydrophobicContact CD2-CE2 4.39Å; F45-F274 AromaticContact CD2-CG 3.63Å; F45-F274 HydrophobicContact CD2-CG 3.63Å; F45-F274 HydrophobicContact CE2-CB 4.07Å; F45-F274 HydrophobicContact CE2-CG 4.3Å; Q270-F274 WeakPolarHBondContact O-CB 3.28Å; Q270-F274 PolarHBondContact O-N 3.42Å; W271-F274 WeakPolarHBondContact O-CB 3.28Å; W271-F274 PolarHBondContact O-N 3.39Å; F274-N276 HydrophobicContact CE1-CB 4.44Å; F274-N276 PolarHBondContact O-N 3.21Å; F274-K283 WeakPolarHBondContact O-CE 3.34Å; F274-K283 PolarHBondContact O-NZ 3.44Å
275	D	63.9	Low	73.5	Confident	111 Å²	111	88 Å²	88	59%	0.594	44%	0.443	S	S	*	.			trans	-86.1	108.7	-178.1	-174.9	40.2	0	0	0	111.2	E273 K277	E273-D275 PolarHBondContact O-N 3.02Å; D275-K277 WeakPolarHBondContact OD2-CE 3.27Å
276	N	62.9	Low	73.3	Confident	27 Å²	27	86.6 Å²	86.6	14%	0.144	43%	0.432	C	S	.	.			trans	-107.5	88.4	-178.9	-175.3	20.3	0	0	0	109.8	E41 F274 D278 S279	E41-N276 PolarHBondContact OE1-ND2 3.38Å; F274-N276 HydrophobicContact CE1-CB 4.44Å; F274-N276 PolarHBondContact O-N 3.21Å; N276-D278 PolarHBondContact O-N 3.34Å; N276-S279 WeakPolarHBondContact O-CB 3.23Å; N276-S279 PolarHBondContact O-N 3.23Å
277	K	58	Low	73.3	Confident	186 Å²	186	82.9 Å²	82.9	81%	0.809	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-11.5	-177.7	-63.7	-177.5	179.8	178.5	0	114.8	D275	D275-K277 WeakPolarHBondContact OD2-CE 3.27Å
278	D	56.5	Low	73.4	Confident	106 Å²	106	82.7 Å²	82.7	57%	0.567	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-8.7	175.1	-50.9	-39.4	0	0	0	113.5	R44 N276	R44-D278 IonicContact CZ-OD2 2.79Å; R44-D278 IonicContact NH1-OD2 3.83Å; R44-D278 PolarHBondContact NH1-OD2 3.33Å; R44-D278 IonicContact NH2-OD2 2.8Å; R44-D278 PolarHBondContact NH2-OD2 3.39Å; N276-D278 PolarHBondContact O-N 3.34Å
279	S	56.4	Low	73.5	Confident	42 Å²	42	83.2 Å²	83.2	29%	0.294	42%	0.419	S	S	.	.			trans	-70.4	138.8	-170	-168.1	0	0	0	0	112.6	E41 N276 M281	E41-S279 WeakPolarHBondContact OE1-CB 3.26Å; E41-S279 PolarHBondContact OE1-OG 2.88Å; N276-S279 WeakPolarHBondContact O-CB 3.23Å; N276-S279 PolarHBondContact O-N 3.23Å; S279-M281 PolarHBondContact OG-N 2.86Å
280	K	56.4	Low	73.7	Confident	206 Å²	206	77.8 Å²	77.8	90%	0.896	39%	0.393	S	S	*	.			trans	-105.2	2.5	175.2	-62.8	-178	-178.2	176.5	0	112.9
281	M	57	Low	74	Confident	85 Å²	85	74.6 Å²	74.6	42%	0.419	38%	0.378	S	S	.	.	S	Bend	trans	-112.6	147.9	-176.1	-64.6	-161.7	75.2	0	0	111.5	V36 S279 K283	V36-M281 HydrophobicContact CG1-CE 4.44Å; V36-M281 HydrophobicContact CG1-CG 4.21Å; V36-M281 HydrophobicContact CG1-SD 3.59Å; V36-M281 VanDerWaalsContact CG1-SD 3.59Å; S279-M281 PolarHBondContact OG-N 2.86Å; M281-K283 PolarHBondContact O-N 2.84Å
282	P	58.1	Low	74.4	Confident	103 Å²	103	73.5 Å²	73.5	67%	0.669	37%	0.374	S	S	*	.			trans	-63.8	135.5	167.9	28.1	-33.6	0	0	0	109.6	T284	P282-T284 PolarHBondContact O-N 2.86Å
283	K	63.7	Low	75	Confident	118 Å²	118	69 Å²	69	51%	0.513	35%	0.352	S	S	.	.			trans	-56.2	123.2	176.8	-73.9	-161.3	-179.3	-164.6	0	110	M272 F274 M281	M272-K283 PolarHBondContact O-NZ 2.79Å; F274-K283 WeakPolarHBondContact O-CE 3.34Å; F274-K283 PolarHBondContact O-NZ 3.44Å; M281-K283 PolarHBondContact O-N 2.84Å
284	T	66.2	Low	75.5	Confident	64 Å²	64	62.4 Å²	62.4	39%	0.393	32%	0.321	S	S	.	.			trans	-122.5	158.8	178	40.5	0	0	0	0	110.2	W271 P282	W271-T284 PolarHBondContact NE1-O 2.84Å; P282-T284 PolarHBondContact O-N 2.86Å
285	G	76.4	Confident	76.3	Confident	46 Å²	46	59.6 Å²	59.6	47%	0.474	31%	0.308	S	S	.	.			trans	-60	151.1	176	0	0	0	0	0	111.8	K287	G285-K287 PolarHBondContact O-N 3.05Å
286	L	86	Confident	77.8	Confident	13 Å²	13	54.3 Å²	54.3	7%	0.068	28%	0.28	C	S	.	.			trans	-66.4	95.5	-175.2	-176.2	69.3	0	0	0	111.5	V42 V268 W271 A291 L349	V42-L286 HydrophobicContact CB-CD1 4.41Å; V42-L286 HydrophobicContact CG1-CD1 3.97Å; V42-L286 HydrophobicContact CG2-CD1 3.47Å; V42-L286 VanDerWaalsContact CG2-CD1 3.47Å; V268-L286 HydrophobicContact CG2-CB 4.36Å; V268-L286 HydrophobicContact CG2-CD2 4.06Å; W271-L286 HydrophobicContact CD2-CD1 4.27Å; W271-L286 HydrophobicContact CG-CB 4.46Å; W271-L286 HydrophobicContact CG-CD1 4.32Å; L286-A291 HydrophobicContact CD2-CB 4.29Å; L286-A291 HydrophobicContact CG-CB 4.47Å; L286-L349 HydrophobicContact CD2-CD1 3.75Å
287	K	90	Very high	79.3	Confident	72 Å²	72	53 Å²	53	31%	0.313	27%	0.273	S	S	.	.			trans	-58.1	154.2	177.6	-58.2	-177.2	-179.8	-178.8	0	112.6	H38 D238 G285 M289 G290 A291	H38-K287 PolarHBondContact CE1-N 3.26Å; H38-K287 VanDerWaalsContact CE1-N 3.33Å; D238-K287 VanDerWaalsContact OD2-CA 3.23Å; D238-K287 WeakPolarHBondContact OD2-CA 3.28Å; D238-K287 WeakPolarHBondContact OD2-CB 3.47Å; G285-K287 PolarHBondContact O-N 3.05Å; K287-M289 VanDerWaalsContact C-N 3.27Å; K287-M289 PolarHBondContact O-N 2.88Å; K287-G290 WeakPolarHBondContact O-CA 3.24Å; K287-G290 PolarHBondContact O-N 3.13Å; K287-A291 PolarHBondContact O-N 2.8Å
288	Y	91.9	Very high	81	Confident	18 Å²	18	46.9 Å²	46.9	7%	0.071	25%	0.247	C	C	.	.	H	α-helix	trans	-57	-35.5	-178.4	85.5	-85	0	0	0	113.6	R127 L234 D238 A291 L292	R127-Y288 PolarHBondContact NH1-OH 3.44Å; R127-Y288 VanDerWaalsContact NH1-OH 3.14Å; L234-Y288 HydrophobicContact CB-CD2 3.85Å; L234-Y288 HydrophobicContact CB-CE2 3.97Å; L234-Y288 HydrophobicContact CB-CG 4.35Å; L234-Y288 HydrophobicContact CD1-CE2 4.47Å; D238-Y288 WeakPolarHBondContact OD2-CD1 3.41Å; D238-Y288 PolarHBondContact OD2-N 3.39Å; Y288-A291 PolarHBondContact O-N 3.21Å; Y288-L292 HydrophobicContact CD2-CD1 3.94Å; Y288-L292 HydrophobicContact CE2-CD1 4.24Å; Y288-L292 WeakPolarHBondContact O-CG 3.3Å; Y288-L292 PolarHBondContact O-N 3.44Å
289	M	91.4	Very high	82.9	Confident	41 Å²	41	41.8 Å²	41.8	20%	0.202	22%	0.22	C	C	.	.	H	α-helix	trans	-69.6	-31.1	174.7	-73.3	-179.9	56	0	0	113.1	E39 L89 R127 K287 T293	E39-M289 HydrophobicContact CG-CB 4.14Å; L89-M289 HydrophobicContact CD1-CE 4.41Å; L89-M289 HydrophobicContact CD2-CE 3.53Å; R127-M289 PolarHBondContact NH2-SD 2.68Å; R127-M289 VanDerWaalsContact NH2-SD 3.37Å; K287-M289 VanDerWaalsContact C-N 3.27Å; K287-M289 PolarHBondContact O-N 2.88Å; M289-T293 PolarHBondContact O-N 3.29Å; M289-T293 PolarHBondContact O-OG1 3.18Å
290	G	92.3	Very high	84.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-67.3	-49.1	169.9	0	0	0	0	0	111.3	V42 K287 L292 T293 Y294	V42-G290 VanDerWaalsContact CG1-O 3.25Å; V42-G290 WeakPolarHBondContact CG1-O 3.45Å; K287-G290 WeakPolarHBondContact O-CA 3.24Å; K287-G290 PolarHBondContact O-N 3.13Å; G290-L292 VanDerWaalsContact C-N 3.31Å; G290-L292 PolarHBondContact O-N 2.85Å; G290-T293 CarbonylContact O-C 3.59Å; G290-T293 WeakPolarHBondContact O-CA 3.39Å; G290-T293 WeakPolarHBondContact O-CB 3.39Å; G290-T293 PolarHBondContact O-N 2.66Å; G290-Y294 PolarHBondContact O-N 3.24Å
291	A	94	Very high	86.5	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-56.5	-43.1	175.4	0	0	0	0	0	112.6	V257 L286 K287 Y288 T293 Y294 D295 L349 T350	V257-A291 HydrophobicContact CG2-CB 3.48Å; V257-A291 VanDerWaalsContact CG2-CB 3.48Å; L286-A291 HydrophobicContact CD2-CB 4.29Å; L286-A291 HydrophobicContact CG-CB 4.47Å; K287-A291 PolarHBondContact O-N 2.8Å; Y288-A291 PolarHBondContact O-N 3.21Å; A291-T293 VanDerWaalsContact C-N 3.33Å; A291-T293 PolarHBondContact O-N 2.91Å; A291-Y294 PolarHBondContact O-N 2.98Å; A291-D295 WeakPolarHBondContact O-CB 3.48Å; A291-D295 PolarHBondContact O-N 3.36Å; A291-L349 HydrophobicContact CB-CB 4.03Å; A291-L349 HydrophobicContact CB-CD1 4.23Å; A291-T350 HydrophobicContact CB-CG2 4.15Å
292	L	95.4	Very high	88.2	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.4	-39.1	171.2	-73.4	169.9	0	0	0	112.4	P112 L126 R127 L256 Y288 G290 D295 G296 T350	P112-L292 HydrophobicContact CB-CB 3.58Å; P112-L292 HydrophobicContact CB-CD1 4.28Å; L126-L292 HydrophobicContact CB-CD2 4.07Å; L126-L292 VanDerWaalsContact CD1-O 3.29Å; L126-L292 WeakPolarHBondContact CD1-O 3.43Å; L126-L292 VanDerWaalsContact O-CD2 3.26Å; L126-L292 WeakPolarHBondContact O-CD2 3.42Å; R127-L292 HydrophobicContact CB-CD1 4.03Å; R127-L292 HydrophobicContact CG-CD1 4.1Å; L256-L292 HydrophobicContact CD2-CD1 4.47Å; L256-L292 HydrophobicContact CD2-CD2 4.01Å; L256-L292 HydrophobicContact CD2-CG 4.34Å; Y288-L292 HydrophobicContact CD2-CD1 3.94Å; Y288-L292 HydrophobicContact CE2-CD1 4.24Å; Y288-L292 WeakPolarHBondContact O-CG 3.3Å; Y288-L292 PolarHBondContact O-N 3.44Å; G290-L292 VanDerWaalsContact C-N 3.31Å; G290-L292 PolarHBondContact O-N 2.85Å; L292-D295 PolarHBondContact O-N 2.89Å; L292-G296 PolarHBondContact O-N 3.39Å; L292-T350 HydrophobicContact CD2-CG2 3.84Å; L292-T350 HydrophobicContact CG-CG2 4.07Å
293	T	95.1	Very high	89.9	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.8	-40.5	177.7	-53.9	0	0	0	0	112.1	F33 E39 F43 I87 M289 G290 A291 G296 V297	F33-T293 HydrophobicContact CE1-CG2 4.23Å; F33-T293 HydrophobicContact CZ-CG2 4.31Å; E39-T293 HydrophobicContact CB-CG2 4.39Å; F43-T293 HydrophobicContact CB-CG2 3.99Å; I87-T293 HydrophobicContact CD1-CG2 4.32Å; M289-T293 PolarHBondContact O-N 3.29Å; M289-T293 PolarHBondContact O-OG1 3.18Å; G290-T293 CarbonylContact O-C 3.59Å; G290-T293 WeakPolarHBondContact O-CA 3.39Å; G290-T293 WeakPolarHBondContact O-CB 3.39Å; G290-T293 PolarHBondContact O-N 2.66Å; A291-T293 VanDerWaalsContact C-N 3.33Å; A291-T293 PolarHBondContact O-N 2.91Å; T293-G296 PolarHBondContact O-N 2.99Å; T293-V297 PolarHBondContact O-N 3.26Å
294	Y	94.8	Very high	91.3	Very high	12 Å²	12	17.7 Å²	17.7	5%	0.047	10%	0.1	C	C	.	.	H	α-helix	trans	-60.6	-49.4	173.3	-178.1	-85.1	0	0	0	111.2	F45 A46 H50 I267 G290 A291 G296 V297 K298 L349	F45-Y294 AromaticContact CD1-CD2 3.79Å; F45-Y294 HydrophobicContact CD1-CD2 3.79Å; F45-Y294 AromaticContact CD1-CE2 3.86Å; F45-Y294 HydrophobicContact CD1-CE2 3.86Å; F45-Y294 AromaticContact CE1-CD2 3.88Å; F45-Y294 HydrophobicContact CE1-CD2 3.88Å; F45-Y294 AromaticContact CE1-CE2 3.62Å; F45-Y294 HydrophobicContact CE1-CE2 3.62Å; A46-Y294 HydrophobicContact CB-CD2 3.53Å; A46-Y294 HydrophobicContact CB-CE2 4.09Å; A46-Y294 HydrophobicContact CB-CG 4.12Å; H50-Y294 AromaticContact NE2-CZ 3.98Å; I267-Y294 HydrophobicContact CD1-CE1 4.42Å; I267-Y294 HydrophobicContact CG2-CE1 4.42Å; I267-Y294 HydrophobicContact CG2-CE2 4.14Å; G290-Y294 PolarHBondContact O-N 3.24Å; A291-Y294 PolarHBondContact O-N 2.98Å; Y294-G296 VanDerWaalsContact C-N 3.26Å; Y294-G296 PolarHBondContact O-N 2.82Å; Y294-V297 PolarHBondContact O-N 2.9Å; Y294-V297 VanDerWaalsContact O-N 3.17Å; Y294-K298 PolarHBondContact O-N 2.97Å; Y294-K298 VanDerWaalsContact O-N 3.08Å; Y294-L349 HydrophobicContact CD1-CD1 3.47Å; Y294-L349 VanDerWaalsContact CD1-CD1 3.47Å; Y294-L349 HydrophobicContact CD1-CG 3.78Å; Y294-L349 HydrophobicContact CD2-CD1 4.48Å; Y294-L349 HydrophobicContact CE1-CD1 4.06Å; Y294-L349 HydrophobicContact CE1-CG 4.12Å; Y294-L349 HydrophobicContact CG-CD1 3.72Å
295	D	95.3	Very high	92.5	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-60.5	-35.8	176.4	-76	-14.9	0	0	0	111.7	A291 L292 K298 V299 G348 L349 T350 I353	A291-D295 WeakPolarHBondContact O-CB 3.48Å; A291-D295 PolarHBondContact O-N 3.36Å; L292-D295 PolarHBondContact O-N 2.89Å; D295-K298 WeakPolarHBondContact O-CB 3.42Å; D295-K298 PolarHBondContact O-N 3.25Å; D295-V299 WeakPolarHBondContact O-CG2 3.42Å; D295-V299 PolarHBondContact O-N 2.79Å; D295-G348 WeakPolarHBondContact OD1-CA 3.5Å; D295-L349 VanDerWaalsContact CG-N 3.33Å; D295-L349 PolarHBondContact OD1-N 2.87Å; D295-L349 PolarHBondContact OD2-N 3.15Å; D295-L349 VanDerWaalsContact OD2-N 3.09Å; D295-T350 WeakPolarHBondContact OD2-CB 3.42Å; D295-T350 PolarHBondContact OD2-N 2.85Å; D295-T350 PolarHBondContact OD2-OG1 2.74Å; D295-I353 HydrophobicContact CB-CD1 3.71Å
296	G	95.3	Very high	93.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.3	-45.1	173.1	0	0	0	0	0	113.8	L126 L292 T293 Y294 K298 V299 M300	L126-G296 VanDerWaalsContact CD1-CA 3.43Å; L292-G296 PolarHBondContact O-N 3.39Å; T293-G296 PolarHBondContact O-N 2.99Å; Y294-G296 VanDerWaalsContact C-N 3.26Å; Y294-G296 PolarHBondContact O-N 2.82Å; G296-K298 VanDerWaalsContact C-N 3.33Å; G296-K298 PolarHBondContact O-N 2.8Å; G296-V299 PolarHBondContact O-N 3.1Å; G296-M300 VanDerWaalsContact O-CG 3.29Å; G296-M300 WeakPolarHBondContact O-CG 3.32Å; G296-M300 PolarHBondContact O-N 3.46Å
297	V	94.8	Very high	93.4	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.9	-38.5	174.9	177	0	0	0	0	111.1	F43 A46 L47 L56 I87 T293 Y294 M300 S301	F43-V297 HydrophobicContact CD2-CG2 3.44Å; F43-V297 VanDerWaalsContact CD2-CG2 3.44Å; F43-V297 HydrophobicContact CE2-CG2 3.74Å; A46-V297 HydrophobicContact CB-CB 3.76Å; A46-V297 HydrophobicContact CB-CG1 3.96Å; A46-V297 HydrophobicContact CB-CG2 3.89Å; L47-V297 HydrophobicContact CD2-CG1 3.96Å; L47-V297 HydrophobicContact CG-CG1 4.38Å; L56-V297 HydrophobicContact CD1-CG1 4Å; I87-V297 HydrophobicContact CD1-CG2 4.25Å; T293-V297 PolarHBondContact O-N 3.26Å; Y294-V297 PolarHBondContact O-N 2.9Å; Y294-V297 VanDerWaalsContact O-N 3.17Å; V297-M300 PolarHBondContact O-N 3.41Å; V297-S301 WeakPolarHBondContact O-CB 3.43Å; V297-S301 PolarHBondContact O-N 2.85Å
298	K	94.4	Very high	93.4	Very high	57 Å²	57	19.9 Å²	19.9	25%	0.248	9%	0.087	C	C	.	.	H	α-helix	trans	-65	-42.4	176.1	-168.2	-177.5	178.1	-177.9	0	112.3	Y294 D295 G296 T302 I346 D347	Y294-K298 PolarHBondContact O-N 2.97Å; Y294-K298 VanDerWaalsContact O-N 3.08Å; D295-K298 WeakPolarHBondContact O-CB 3.42Å; D295-K298 PolarHBondContact O-N 3.25Å; G296-K298 VanDerWaalsContact C-N 3.33Å; G296-K298 PolarHBondContact O-N 2.8Å; K298-T302 WeakPolarHBondContact O-CB 3.23Å; K298-T302 PolarHBondContact O-N 3.45Å; K298-T302 PolarHBondContact O-OG1 3.42Å; K298-I346 HydrophobicContact CB-CD1 4.28Å; K298-I346 HydrophobicContact CD-CD1 3.99Å; K298-I346 HydrophobicContact CG-CD1 3.8Å; K298-D347 PolarHBondContact NZ-O 3.19Å
299	V	95.4	Very high	93.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.6	-49.4	172	166.6	0	0	0	0	110.5	D295 G296 S301 T302 A303 L341 V344 I346 I353 F355	D295-V299 WeakPolarHBondContact O-CG2 3.42Å; D295-V299 PolarHBondContact O-N 2.79Å; G296-V299 PolarHBondContact O-N 3.1Å; V299-S301 PolarHBondContact O-N 3.04Å; V299-T302 PolarHBondContact O-N 3.19Å; V299-A303 PolarHBondContact O-N 3.4Å; V299-L341 HydrophobicContact CG1-CD2 4.01Å; V299-V344 HydrophobicContact CB-CG1 4.49Å; V299-V344 HydrophobicContact CG1-CB 4.21Å; V299-V344 HydrophobicContact CG1-CG1 4.29Å; V299-V344 HydrophobicContact CG1-CG2 4.12Å; V299-V344 HydrophobicContact CG2-CG1 4.22Å; V299-I346 HydrophobicContact CG2-CD1 3.81Å; V299-I346 HydrophobicContact CG2-CG1 4.35Å; V299-I353 HydrophobicContact CG2-CD1 4.49Å; V299-I353 HydrophobicContact CG2-CG2 4.03Å; V299-F355 HydrophobicContact CG1-CE2 3.95Å; V299-F355 HydrophobicContact CG1-CZ 4.31Å; V299-F355 HydrophobicContact CG2-CE2 4.23Å; V299-F355 HydrophobicContact CG2-CZ 4.28Å
300	M	94.5	Very high	93.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.3	-46.9	179	-71.3	170.7	64.5	0	0	112.3	I29 A85 I87 V110 G296 V297 T302 A303 F304 L341	I29-M300 HydrophobicContact CB-CE 3.97Å; I29-M300 HydrophobicContact CD1-CE 3.88Å; I29-M300 HydrophobicContact CG2-CE 3.74Å; A85-M300 HydrophobicContact CB-CE 3.8Å; I87-M300 HydrophobicContact CB-SD 3.95Å; I87-M300 HydrophobicContact CD1-SD 4.24Å; I87-M300 HydrophobicContact CG2-SD 4.43Å; V110-M300 HydrophobicContact CB-SD 4.16Å; V110-M300 HydrophobicContact CG1-SD 4.38Å; V110-M300 HydrophobicContact CG2-CG 4Å; V110-M300 HydrophobicContact CG2-SD 4.04Å; G296-M300 VanDerWaalsContact O-CG 3.29Å; G296-M300 WeakPolarHBondContact O-CG 3.32Å; G296-M300 PolarHBondContact O-N 3.46Å; V297-M300 PolarHBondContact O-N 3.41Å; M300-T302 VanDerWaalsContact C-N 3.31Å; M300-T302 PolarHBondContact O-N 2.95Å; M300-A303 PolarHBondContact O-N 2.69Å; M300-F304 HydrophobicContact CB-CE2 4.44Å; M300-F304 WeakPolarHBondContact O-CD2 3.4Å; M300-F304 PolarHBondContact O-N 2.9Å; M300-L341 HydrophobicContact CG-CD2 4.15Å
301	S	93.8	Very high	92.8	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.014	17%	0.167	C	C	.	.	H	α-helix	trans	-58.7	-43.8	175.7	-175.8	0	0	0	0	111.4	V297 V299 F304 Q305	V297-S301 WeakPolarHBondContact O-CB 3.43Å; V297-S301 PolarHBondContact O-N 2.85Å; V299-S301 PolarHBondContact O-N 3.04Å; S301-F304 PolarHBondContact O-N 2.88Å; S301-Q305 WeakPolarHBondContact O-CG 3.34Å; S301-Q305 PolarHBondContact O-N 2.89Å
302	T	93.4	Very high	92.4	Very high	44 Å²	44	42.9 Å²	42.9	27%	0.27	18%	0.178	S	C	.	.	H	α-helix	trans	-64.1	-43.2	178.8	-54.6	0	0	0	0	112.1	K298 V299 M300 Q305 Y306 V344 I346	K298-T302 WeakPolarHBondContact O-CB 3.23Å; K298-T302 PolarHBondContact O-N 3.45Å; K298-T302 PolarHBondContact O-OG1 3.42Å; V299-T302 PolarHBondContact O-N 3.19Å; M300-T302 VanDerWaalsContact C-N 3.31Å; M300-T302 PolarHBondContact O-N 2.95Å; T302-Q305 PolarHBondContact O-N 2.95Å; T302-Y306 PolarHBondContact O-N 3.46Å; T302-V344 HydrophobicContact CG2-CG1 4.04Å; T302-V344 HydrophobicContact CG2-CG2 4.45Å; T302-I346 HydrophobicContact CG2-CG2 3.96Å
303	A	93.9	Very high	91.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.9	-43.4	176.7	0	0	0	0	0	112.4	V299 M300 Y306 L307 A340 L341 V344	V299-A303 PolarHBondContact O-N 3.4Å; M300-A303 PolarHBondContact O-N 2.69Å; A303-Y306 WeakPolarHBondContact O-CB 3.48Å; A303-Y306 PolarHBondContact O-N 3.29Å; A303-L307 WeakPolarHBondContact O-CG 3.34Å; A303-L307 PolarHBondContact O-N 2.85Å; A303-A340 HydrophobicContact CB-CB 4.24Å; A303-L341 HydrophobicContact CB-CD2 3.65Å; A303-L341 HydrophobicContact CB-CG 3.94Å; A303-V344 HydrophobicContact CB-CG2 3.87Å
304	F	92.8	Very high	91.3	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	19%	0.186	C	C	.	.	H	α-helix	trans	-70.3	-31.7	176.2	-67.2	-58.2	0	0	0	113	F23 I27 I29 P54 L56 A85 M300 S301 L307 R308 I314 I337	F23-F304 WeakPolarHBondContact CZ-O 3.13Å; I27-F304 HydrophobicContact CD1-CB 3.62Å; I27-F304 HydrophobicContact CD1-CD1 3.58Å; I27-F304 HydrophobicContact CD1-CD2 4.14Å; I27-F304 HydrophobicContact CD1-CE1 4.26Å; I27-F304 HydrophobicContact CD1-CG 3.52Å; I27-F304 HydrophobicContact CG2-CD1 4.42Å; I27-F304 HydrophobicContact CG2-CD2 4.23Å; I27-F304 HydrophobicContact CG2-CE1 4.15Å; I27-F304 HydrophobicContact CG2-CE2 3.95Å; I27-F304 HydrophobicContact CG2-CG 4.47Å; I27-F304 HydrophobicContact CG2-CZ 3.91Å; I29-F304 HydrophobicContact CG2-CE2 4.31Å; P54-F304 HydrophobicContact CG-CB 3.72Å; L56-F304 HydrophobicContact CD2-CD2 3.8Å; L56-F304 HydrophobicContact CD2-CE2 4.22Å; A85-F304 HydrophobicContact CB-CZ 4.13Å; M300-F304 HydrophobicContact CB-CE2 4.44Å; M300-F304 WeakPolarHBondContact O-CD2 3.4Å; M300-F304 PolarHBondContact O-N 2.9Å; S301-F304 PolarHBondContact O-N 2.88Å; F304-L307 HydrophobicContact CD1-CD1 3.89Å; F304-L307 HydrophobicContact CE1-CD1 4.37Å; F304-R308 WeakPolarHBondContact O-CB 3.44Å; F304-R308 PolarHBondContact O-N 3.39Å; F304-R308 VanDerWaalsContact O-N 3.09Å; F304-I314 HydrophobicContact CD1-CD1 4.09Å; F304-I314 HydrophobicContact CE1-CD1 4.33Å; F304-I337 HydrophobicContact CE1-CD1 4.14Å; F304-I337 HydrophobicContact CE1-CG1 4.17Å; F304-I337 HydrophobicContact CE1-CG2 4.05Å; F304-I337 HydrophobicContact CZ-CG2 4.26Å
305	Q	90.8	Very high	90.7	Very high	38 Å²	38	45.5 Å²	45.5	18%	0.178	20%	0.196	C	C	.	.	H	α-helix	trans	-64	-38.7	167.5	-73.6	-173.7	36.5	0	0	112.2	S301 T302 R308 R309	S301-Q305 WeakPolarHBondContact O-CG 3.34Å; S301-Q305 PolarHBondContact O-N 2.89Å; T302-Q305 PolarHBondContact O-N 2.95Å; Q305-R308 PolarHBondContact O-N 2.82Å; Q305-R309 VanDerWaalsContact O-CG 3.27Å; Q305-R309 WeakPolarHBondContact O-CG 3.42Å; Q305-R309 PolarHBondContact O-N 3.37Å; Q305-R309 VanDerWaalsContact OE1-NH2 3.12Å
306	Y	91.8	Very high	89.8	Confident	90 Å²	90	47.9 Å²	47.9	35%	0.353	20%	0.204	S	C	.	.	H	α-helix	trans	-64.2	-49.8	177.7	-176.1	-100.5	0	0	0	111.7	T302 A303 R308 R309 Q310 A340 Q343	T302-Y306 PolarHBondContact O-N 3.46Å; A303-Y306 WeakPolarHBondContact O-CB 3.48Å; A303-Y306 PolarHBondContact O-N 3.29Å; Y306-R308 VanDerWaalsContact C-N 3.27Å; Y306-R308 PolarHBondContact O-N 3.41Å; Y306-R309 WeakPolarHBondContact O-CB 3.03Å; Y306-R309 PolarHBondContact O-N 2.86Å; Y306-Q310 HydrophobicContact CD1-CG 4.46Å; Y306-Q310 HydrophobicContact CE1-CG 4.22Å; Y306-Q310 VanDerWaalsContact CZ-NE2 3.27Å; Y306-Q310 PolarHBondContact O-N 3.4Å; Y306-Q310 PolarHBondContact OH-NE2 3.01Å; Y306-Q310 VanDerWaalsContact OH-NE2 3.08Å; Y306-A340 HydrophobicContact CD1-CB 4.17Å; Y306-Q343 VanDerWaalsContact CE1-OE1 3.29Å; Y306-Q343 PolarHBondContact OH-OE1 3.15Å
307	L	91.1	Very high	88.5	Confident	1 Å²	1	58 Å²	58	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-55.5	-41.7	173.8	-69.3	163.2	0	0	0	112.1	F23 A303 F304 Q310 R311 I312 I314 D336 I337 A340	F23-L307 HydrophobicContact CE2-CB 3.87Å; F23-L307 HydrophobicContact CZ-CB 4.19Å; A303-L307 WeakPolarHBondContact O-CG 3.34Å; A303-L307 PolarHBondContact O-N 2.85Å; F304-L307 HydrophobicContact CD1-CD1 3.89Å; F304-L307 HydrophobicContact CE1-CD1 4.37Å; L307-Q310 CarbonylContact O-C 3.07Å; L307-Q310 PolarHBondContact O-N 2.91Å; L307-R311 PolarHBondContact O-N 3.4Å; L307-I312 HydrophobicContact CD2-CB 4.17Å; L307-I312 HydrophobicContact CD2-CD1 3.91Å; L307-I312 HydrophobicContact CD2-CG2 4.17Å; L307-I312 PolarHBondContact O-N 3Å; L307-I312 VanDerWaalsContact O-N 3.1Å; L307-I314 HydrophobicContact CD1-CG2 4.26Å; L307-D336 HydrophobicContact CD2-CB 4.39Å; L307-I337 HydrophobicContact CD1-CB 4.46Å; L307-I337 HydrophobicContact CD1-CG1 3.69Å; L307-A340 HydrophobicContact CD1-CB 3.86Å; L307-A340 HydrophobicContact CD2-CB 3.74Å; L307-A340 HydrophobicContact CG-CB 3.57Å
308	R	89.1	Confident	87.3	Confident	112 Å²	112	60.3 Å²	60.3	42%	0.423	27%	0.267	S	S	.	.	H	α-helix	trans	-64	-40.9	175.5	-172.3	175	-179.4	-132.7	-5.6	112.6	F23 I53 F304 Q305 Y306 R311	F23-R308 HydrophobicContact CB-CG 4.22Å; F23-R308 HydrophobicContact CD1-CB 3.77Å; F23-R308 HydrophobicContact CD1-CG 3.64Å; F23-R308 HydrophobicContact CD2-CB 4.06Å; F23-R308 HydrophobicContact CD2-CG 4.36Å; F23-R308 HydrophobicContact CE1-CB 3.73Å; F23-R308 HydrophobicContact CE1-CG 4.09Å; F23-R308 HydrophobicContact CE2-CB 4.01Å; F23-R308 HydrophobicContact CG-CB 3.95Å; F23-R308 HydrophobicContact CG-CG 3.8Å; F23-R308 HydrophobicContact CZ-CB 3.84Å; I53-R308 PolarHBondContact O-NH1 2.95Å; F304-R308 WeakPolarHBondContact O-CB 3.44Å; F304-R308 PolarHBondContact O-N 3.39Å; F304-R308 VanDerWaalsContact O-N 3.09Å; Q305-R308 PolarHBondContact O-N 2.82Å; Y306-R308 VanDerWaalsContact C-N 3.27Å; Y306-R308 PolarHBondContact O-N 3.41Å; R308-R311 PolarHBondContact O-N 3.2Å
309	R	89.1	Confident	86.1	Confident	186 Å²	186	65.4 Å²	65.4	70%	0.702	30%	0.297	S	S	*	.	H	α-helix	trans	-66.1	-38.9	175.5	-70.4	169.7	-164.1	-168.2	8.5	111.6	Q305 Y306 R311	Q305-R309 VanDerWaalsContact O-CG 3.27Å; Q305-R309 WeakPolarHBondContact O-CG 3.42Å; Q305-R309 PolarHBondContact O-N 3.37Å; Q305-R309 VanDerWaalsContact OE1-NH2 3.12Å; Y306-R309 WeakPolarHBondContact O-CB 3.03Å; Y306-R309 PolarHBondContact O-N 2.86Å; R309-R311 PolarHBondContact O-N 3.26Å
310	Q	88.8	Confident	85	Confident	90 Å²	90	65.9 Å²	65.9	42%	0.421	30%	0.301	S	S	.	.	H	α-helix	trans	-73.8	-9.9	174.2	-70	-174.5	-38.4	0	0	114.2	Y306 L307 I312	Y306-Q310 HydrophobicContact CD1-CG 4.46Å; Y306-Q310 HydrophobicContact CE1-CG 4.22Å; Y306-Q310 VanDerWaalsContact CZ-NE2 3.27Å; Y306-Q310 PolarHBondContact O-N 3.4Å; Y306-Q310 PolarHBondContact OH-NE2 3.01Å; Y306-Q310 VanDerWaalsContact OH-NE2 3.08Å; L307-Q310 CarbonylContact O-C 3.07Å; L307-Q310 PolarHBondContact O-N 2.91Å; Q310-I312 VanDerWaalsContact C-N 3.28Å; Q310-I312 HydrophobicContact CB-CD1 4.04Å; Q310-I312 HydrophobicContact CB-CG1 4.03Å; Q310-I312 PolarHBondContact O-N 3.5Å; Q310-I312 VanDerWaalsContact OE1-CD1 3.28Å
311	R	86.4	Confident	84.2	Confident	220 Å²	220	68 Å²	68	83%	0.83	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	30.9	-176.1	-50.9	-179.1	179.7	-176.8	-0.5	114	L307 R308 R309 D313	L307-R311 PolarHBondContact O-N 3.4Å; R308-R311 PolarHBondContact O-N 3.2Å; R309-R311 PolarHBondContact O-N 3.26Å; R311-D313 PolarHBondContact O-N 3.49Å
312	I	85.5	Confident	83.6	Confident	47 Å²	47	75 Å²	75	24%	0.241	36%	0.355	C	S	.	.			trans	-74	121.2	175.4	-67.7	172.1	0	0	0	109	F23 L307 Q310 I314 D336	F23-I312 VanDerWaalsContact CD2-O 3.31Å; F23-I312 WeakPolarHBondContact CD2-O 3.17Å; F23-I312 WeakPolarHBondContact CE2-O 3.21Å; L307-I312 HydrophobicContact CD2-CB 4.17Å; L307-I312 HydrophobicContact CD2-CD1 3.91Å; L307-I312 HydrophobicContact CD2-CG2 4.17Å; L307-I312 PolarHBondContact O-N 3Å; L307-I312 VanDerWaalsContact O-N 3.1Å; Q310-I312 VanDerWaalsContact C-N 3.28Å; Q310-I312 HydrophobicContact CB-CD1 4.04Å; Q310-I312 HydrophobicContact CB-CG1 4.03Å; Q310-I312 PolarHBondContact O-N 3.5Å; Q310-I312 VanDerWaalsContact OE1-CD1 3.28Å; I312-I314 HydrophobicContact CG2-CG2 4.24Å; I312-I314 PolarHBondContact O-N 3.36Å; I312-I314 VanDerWaalsContact O-N 3.11Å; I312-D336 HydrophobicContact CG2-CB 4.31Å
313	D	82.4	Confident	83.3	Confident	31 Å²	31	73.8 Å²	73.8	17%	0.166	35%	0.348	C	S	.	.			trans	-75.7	97	177.8	-178.2	20.7	0	0	0	111.1	S21 R311 S315 R317	S21-D313 WeakPolarHBondContact CB-OD2 3.31Å; R311-D313 PolarHBondContact O-N 3.49Å; D313-S315 VanDerWaalsContact C-N 3.31Å; D313-S315 WeakPolarHBondContact OD1-CB 3.09Å; D313-S315 PolarHBondContact OD1-N 3Å; D313-S315 PolarHBondContact OD1-OG 2.99Å; D313-S315 PolarHBondContact OD2-OG 2.88Å; D313-R317 IonicContact OD2-CZ 3.56Å; D313-R317 IonicContact OD2-NE 2.83Å; D313-R317 IonicContact OD2-NH2 3.77Å; D313-R317 PolarHBondContact OD2-NH2 3.2Å
314	I	84.8	Confident	82.9	Confident	0 Å²	0	79.9 Å²	79.9	0%	0	38%	0.38	C	S	.	.			trans	-83.7	-1.1	173.2	63.1	173.5	0	0	0	113.5	F23 P24 I27 Y84 F304 L307 I312 R316 I337	F23-I314 HydrophobicContact CD2-CG1 4.41Å; F23-I314 HydrophobicContact CE1-CD1 4.23Å; F23-I314 HydrophobicContact CE2-CD1 3.77Å; F23-I314 HydrophobicContact CE2-CG1 3.8Å; F23-I314 HydrophobicContact CE2-CG2 4.49Å; F23-I314 HydrophobicContact CZ-CD1 3.47Å; F23-I314 VanDerWaalsContact CZ-CD1 3.47Å; F23-I314 HydrophobicContact CZ-CG1 3.99Å; P24-I314 HydrophobicContact CG-CD1 3.99Å; P24-I314 HydrophobicContact CG-CG1 3.78Å; I27-I314 HydrophobicContact CD1-CD1 3.88Å; I27-I314 HydrophobicContact CG1-CD1 4.5Å; Y84-I314 HydrophobicContact CD1-CD1 3.9Å; Y84-I314 HydrophobicContact CD1-CG1 4.33Å; Y84-I314 HydrophobicContact CE1-CB 4.25Å; Y84-I314 HydrophobicContact CE1-CD1 3.93Å; Y84-I314 HydrophobicContact CE1-CG1 3.94Å; Y84-I314 WeakPolarHBondContact CE1-O 3.34Å; F304-I314 HydrophobicContact CD1-CD1 4.09Å; F304-I314 HydrophobicContact CE1-CD1 4.33Å; L307-I314 HydrophobicContact CD1-CG2 4.26Å; I312-I314 HydrophobicContact CG2-CG2 4.24Å; I312-I314 PolarHBondContact O-N 3.36Å; I312-I314 VanDerWaalsContact O-N 3.11Å; I314-R316 PolarHBondContact O-N 2.77Å; I314-I337 HydrophobicContact CG2-CD1 4.21Å; I314-I337 HydrophobicContact CG2-CG1 4.22Å
315	S	81.6	Confident	82.6	Confident	36 Å²	36	81.6 Å²	81.6	25%	0.252	39%	0.394	S	S	.	.			trans	-62.8	122.3	-169.6	66.9	0	0	0	0	112.7	D313 R317	D313-S315 VanDerWaalsContact C-N 3.31Å; D313-S315 WeakPolarHBondContact OD1-CB 3.09Å; D313-S315 PolarHBondContact OD1-N 3Å; D313-S315 PolarHBondContact OD1-OG 2.99Å; D313-S315 PolarHBondContact OD2-OG 2.88Å; S315-R317 PolarHBondContact O-N 3.22Å; S315-R317 VanDerWaalsContact O-N 3.16Å
316	R	75.7	Confident	82.3	Confident	50 Å²	50	87.4 Å²	87.4	19%	0.189	43%	0.426	C	S	.	.			trans	-76.6	105.2	-177.2	-158.1	173.1	-169.4	150.6	0.6	110.2	I314 G318 A320	I314-R316 PolarHBondContact O-N 2.77Å; R316-G318 PolarHBondContact O-N 3.09Å; R316-A320 VanDerWaalsContact NH2-CB 3.28Å
317	R	68.6	Low	81.9	Confident	212 Å²	212	88 Å²	88	80%	0.8	44%	0.441	S	S	*	.			trans	-80.3	61.3	-175.3	-58.2	-175.1	-172.2	-177.9	2.7	112.4	D313 S315	D313-R317 IonicContact OD2-CZ 3.56Å; D313-R317 IonicContact OD2-NE 2.83Å; D313-R317 IonicContact OD2-NH2 3.77Å; D313-R317 PolarHBondContact OD2-NH2 3.2Å; S315-R317 PolarHBondContact O-N 3.22Å; S315-R317 VanDerWaalsContact O-N 3.16Å
318	G	68.8	Low	81.4	Confident	49 Å²	49	91 Å²	91	51%	0.505	46%	0.46	S	S	.	.	S	Bend	trans	136.8	173.5	179	0	0	0	0	0	113.1	R316	R316-G318 PolarHBondContact O-N 3.09Å
319	N	71.1	Confident	81.1	Confident	165 Å²	165	88.3 Å²	88.3	88%	0.882	46%	0.462	S	S	*	.			trans	-63.8	153.3	172.5	-70.7	-0.6	0	0	0	110.6	G321	N319-G321 PolarHBondContact O-N 3.43Å
320	A	71.3	Confident	80.9	Confident	10 Å²	10	82.5 Å²	82.5	8%	0.083	45%	0.449	C	S	.	.			trans	-65.3	-21.8	-176.2	0	0	0	0	0	115.3	F79 R316	F79-A320 HydrophobicContact CD1-CB 4.18Å; F79-A320 HydrophobicContact CE1-CB 4.06Å; F79-A320 VanDerWaalsContact CE1-O 3.31Å; F79-A320 WeakPolarHBondContact CE1-O 3.23Å; F79-A320 HydrophobicContact CZ-CB 4.39Å; F79-A320 WeakPolarHBondContact O-CB 3.47Å; R316-A320 VanDerWaalsContact NH2-CB 3.28Å
321	G	76.9	Confident	80.5	Confident	43 Å²	43	78.8 Å²	78.8	44%	0.443	43%	0.431	S	S	.	.			trans	79	-169.8	-164.7	0	0	0	0	0	112	N319	N319-G321 PolarHBondContact O-N 3.43Å
322	E	82.3	Confident	80.2	Confident	151 Å²	151	70.4 Å²	70.4	71%	0.706	41%	0.413	S	S	*	.			trans	-92.3	144.1	175.7	-64.5	-179.1	-175.7	0	0	110.6	L324 A325	E322-L324 PolarHBondContact O-N 3.09Å; E322-L324 VanDerWaalsContact O-N 3.16Å; E322-A325 WeakPolarHBondContact O-CB 3.37Å; E322-A325 PolarHBondContact O-N 2.91Å; E322-A325 VanDerWaalsContact O-N 3.13Å
323	C	86.1	Confident	80.1	Confident	18 Å²	18	71.4 Å²	71.4	12%	0.122	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.7	176.1	63.4	0	0	0	0	113.6	C76 F79 L105	C76-C323 HydrophobicContact CB-CB 3.85Å; C76-C323 WeakPolarHBondContact CB-SG 3.42Å; C76-C323 WeakPolarHBondContact SG-CB 3.45Å; C76-C323 CovalentContact SG-SG 2.02Å; C76-C323 PolarHBondContact SG-SG 3.09Å; F79-C323 HydrophobicContact CD1-CB 4.16Å; L105-C323 HydrophobicContact CD1-CB 4.17Å
324	L	87.1	Confident	80.4	Confident	128 Å²	128	69.9 Å²	69.9	67%	0.67	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	16.3	178.6	-56.8	-177.4	0	0	0	112.7	F101 E322	F101-L324 HydrophobicContact CE1-CD2 4.4Å; F101-L324 HydrophobicContact CZ-CD2 4.44Å; E322-L324 PolarHBondContact O-N 3.09Å; E322-L324 VanDerWaalsContact O-N 3.16Å
325	A	85.8	Confident	80.7	Confident	37 Å²	37	72.7 Å²	72.7	31%	0.306	42%	0.423	S	S	.	.			trans	-55	141.1	172.1	0	0	0	0	0	110.9	E322 P327 P328	E322-A325 WeakPolarHBondContact O-CB 3.37Å; E322-A325 PolarHBondContact O-N 2.91Å; E322-A325 VanDerWaalsContact O-N 3.13Å; A325-P327 CarbonylContact C-O 3.6Å; A325-P327 CarbonylContact O-C 3.6Å; A325-P328 VanDerWaalsContact O-CA 3.26Å; A325-P328 WeakPolarHBondContact O-CA 3.49Å; A325-P328 VanDerWaalsContact O-N 3.08Å
326	N	84.8	Confident	81.1	Confident	159 Å²	159	73.1 Å²	73.1	85%	0.85	42%	0.423	S	S	*	.	S	Bend	trans	-128.7	111.8	-179.4	-172.8	9.7	0	0	0	110.3
327	P	82.4	Confident	81.9	Confident	104 Å²	104	70.8 Å²	70.8	68%	0.675	41%	0.414	S	S	*	.	S	Bend	cis	-64.5	155.7	-3.6	29.7	-36.4	0	0	0	112.3	A325	A325-P327 CarbonylContact C-O 3.6Å; A325-P327 CarbonylContact O-C 3.6Å
328	P	80.1	Confident	83	Confident	62 Å²	62	61.7 Å²	61.7	40%	0.403	38%	0.381	S	S	.	.			trans	-61.5	143.8	173.5	26.2	-34.1	0	0	0	110.1	L105 A325 P330	L105-P328 HydrophobicContact CD2-CB 3.98Å; A325-P328 VanDerWaalsContact O-CA 3.26Å; A325-P328 WeakPolarHBondContact O-CA 3.49Å; A325-P328 VanDerWaalsContact O-N 3.08Å; P328-P330 WeakPolarHBondContact O-CD 3.23Å
329	A	83.7	Confident	84.1	Confident	56 Å²	56	65.5 Å²	65.5	46%	0.463	38%	0.38	S	S	.	.			trans	-100	89.9	178.1	0	0	0	0	0	109.8
330	P	84.6	Confident	85.2	Confident	65 Å²	65	57.7 Å²	57.7	42%	0.422	34%	0.338	S	S	.	.			trans	-66	143.3	179.2	28.6	-36.3	0	0	0	110.8	H106 P328 G332	H106-P330 HydrophobicContact CB-CB 4.38Å; P328-P330 WeakPolarHBondContact O-CD 3.23Å; P330-G332 PolarHBondContact O-N 2.93Å
331	W	81.6	Confident	86.3	Confident	11 Å²	11	57.3 Å²	57.3	4%	0.042	34%	0.335	C	S	.	.			trans	-79.6	112.2	178.8	179.8	28.8	0	0	0	111.5	Y84 L105 H106 Q333 G334 I337	Y84-W331 AromaticContact CD1-CH2 3.62Å; Y84-W331 HydrophobicContact CD1-CH2 3.62Å; Y84-W331 AromaticContact CD1-CZ2 3.69Å; Y84-W331 HydrophobicContact CD1-CZ2 3.69Å; Y84-W331 HydrophobicContact CE1-CZ2 4.17Å; Y84-W331 AromaticContact CG-CH2 3.96Å; Y84-W331 HydrophobicContact CG-CH2 3.96Å; Y84-W331 HydrophobicContact CG-CZ2 4.38Å; Y84-W331 WeakPolarHBondContact O-CH2 3.37Å; Y84-W331 WeakPolarHBondContact O-CZ3 3.35Å; L105-W331 PolarHBondContact O-N 3.19Å; H106-W331 WeakPolarHBondContact CB-O 3.44Å; W331-Q333 VanDerWaalsContact C-N 3.35Å; W331-Q333 VanDerWaalsContact CD1-OE1 3.31Å; W331-Q333 HydrophobicContact CZ2-CB 4.33Å; W331-Q333 VanDerWaalsContact NE1-OE1 3.11Å; W331-Q333 PolarHBondContact O-N 3.24Å; W331-G334 PolarHBondContact O-N 2.72Å; W331-I337 HydrophobicContact CH2-CD1 3.1Å; W331-I337 HydrophobicContact CZ2-CD1 3.61Å; W331-I337 HydrophobicContact CZ3-CD1 3.8Å
332	G	78.7	Confident	87.1	Confident	45 Å²	45	56.9 Å²	56.9	46%	0.464	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-44	-175	0	0	0	0	0	114.5	P330 G334	P330-G332 PolarHBondContact O-N 2.93Å; G332-G334 VanDerWaalsContact C-N 3.28Å; G332-G334 PolarHBondContact O-N 3.06Å
333	Q	84.9	Confident	87.6	Confident	67 Å²	67	55 Å²	55	31%	0.313	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-7.4	-178.7	-62.2	74.4	21.9	0	0	113.6	W331 I335 D336 I337	W331-Q333 VanDerWaalsContact C-N 3.35Å; W331-Q333 VanDerWaalsContact CD1-OE1 3.31Å; W331-Q333 HydrophobicContact CZ2-CB 4.33Å; W331-Q333 VanDerWaalsContact NE1-OE1 3.11Å; W331-Q333 PolarHBondContact O-N 3.24Å; Q333-I335 PolarHBondContact O-N 2.86Å; Q333-D336 PolarHBondContact O-N 3.2Å; Q333-D336 VanDerWaalsContact O-N 3.15Å; Q333-I337 PolarHBondContact O-N 3.38Å; Q333-I337 VanDerWaalsContact O-N 3.13Å
334	G	87.8	Confident	88	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.4	-29.6	174.8	0	0	0	0	0	112.8	H106 C108 W331 G332 I337 Q338	H106-G334 WeakPolarHBondContact O-CA 3.19Å; C108-G334 PolarHBondContact SG-O 3.12Å; W331-G334 PolarHBondContact O-N 2.72Å; G332-G334 VanDerWaalsContact C-N 3.28Å; G332-G334 PolarHBondContact O-N 3.06Å; G334-I337 PolarHBondContact O-N 3.49Å; G334-Q338 PolarHBondContact O-N 3.11Å
335	I	90.3	Very high	88.3	Confident	59 Å²	59	54.2 Å²	54.2	30%	0.303	30%	0.304	S	S	.	.	H	α-helix	trans	-67.5	-41.5	176.2	-52.5	174.2	0	0	0	110.8	F122 Q333 I337 Q338 R339	F122-I335 HydrophobicContact CE1-CG1 3.98Å; F122-I335 HydrophobicContact CZ-CG1 3.98Å; Q333-I335 PolarHBondContact O-N 2.86Å; I335-I337 VanDerWaalsContact C-N 3.32Å; I335-Q338 PolarHBondContact O-N 3.23Å; I335-R339 WeakPolarHBondContact O-CG 3.22Å; I335-R339 PolarHBondContact O-N 3.45Å
336	D	91.3	Very high	88.8	Confident	44 Å²	44	53.7 Å²	53.7	24%	0.235	30%	0.296	C	S	.	.	H	α-helix	trans	-69.2	-33.9	178	-62.7	-50	0	0	0	111.8	L307 I312 Q333 R339 A340	L307-D336 HydrophobicContact CD2-CB 4.39Å; I312-D336 HydrophobicContact CG2-CB 4.31Å; Q333-D336 PolarHBondContact O-N 3.2Å; Q333-D336 VanDerWaalsContact O-N 3.15Å; D336-R339 PolarHBondContact O-N 3.24Å; D336-R339 IonicContact OD1-CZ 2.92Å; D336-R339 IonicContact OD1-NH1 3.83Å; D336-R339 PolarHBondContact OD1-NH1 3.09Å; D336-A340 WeakPolarHBondContact O-CB 3.21Å; D336-A340 PolarHBondContact O-N 2.93Å
337	I	92.1	Very high	89.2	Confident	1 Å²	1	51 Å²	51	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-70.2	-39.1	173.6	-65.9	162.6	0	0	0	111.2	Y84 C108 F304 L307 I314 W331 Q333 G334 I335 A340 L341	Y84-I337 HydrophobicContact CD1-CD1 4.49Å; C108-I337 HydrophobicContact CB-CG2 4.27Å; F304-I337 HydrophobicContact CE1-CD1 4.14Å; F304-I337 HydrophobicContact CE1-CG1 4.17Å; F304-I337 HydrophobicContact CE1-CG2 4.05Å; F304-I337 HydrophobicContact CZ-CG2 4.26Å; L307-I337 HydrophobicContact CD1-CB 4.46Å; L307-I337 HydrophobicContact CD1-CG1 3.69Å; I314-I337 HydrophobicContact CG2-CD1 4.21Å; I314-I337 HydrophobicContact CG2-CG1 4.22Å; W331-I337 HydrophobicContact CH2-CD1 3.1Å; W331-I337 HydrophobicContact CZ2-CD1 3.61Å; W331-I337 HydrophobicContact CZ3-CD1 3.8Å; Q333-I337 PolarHBondContact O-N 3.38Å; Q333-I337 VanDerWaalsContact O-N 3.13Å; G334-I337 PolarHBondContact O-N 3.49Å; I335-I337 VanDerWaalsContact C-N 3.32Å; I337-A340 PolarHBondContact O-N 3.38Å; I337-L341 HydrophobicContact CG2-CD1 3.94Å; I337-L341 HydrophobicContact CG2-CG 4.46Å; I337-L341 WeakPolarHBondContact O-CB 3.45Å; I337-L341 VanDerWaalsContact O-CG 3.29Å; I337-L341 WeakPolarHBondContact O-CG 3.46Å; I337-L341 PolarHBondContact O-N 3.47Å
338	Q	92.4	Very high	89.6	Confident	22 Å²	22	46.5 Å²	46.5	10%	0.103	25%	0.254	C	S	.	.	H	α-helix	trans	-59.2	-49.4	171.4	-176.3	-173	-30.3	0	0	110.8	C108 F122 G334 I335 A340 L341 Q342	C108-Q338 PolarHBondContact SG-N 3.18Å; C108-Q338 VanDerWaalsContact SG-N 3.45Å; F122-Q338 HydrophobicContact CD1-CB 4.19Å; G334-Q338 PolarHBondContact O-N 3.11Å; I335-Q338 PolarHBondContact O-N 3.23Å; Q338-A340 VanDerWaalsContact C-N 3.35Å; Q338-A340 PolarHBondContact O-N 3.28Å; Q338-L341 PolarHBondContact O-N 3.04Å; Q338-Q342 HydrophobicContact CG-CG 4.34Å; Q338-Q342 WeakPolarHBondContact O-CB 3.29Å; Q338-Q342 WeakPolarHBondContact O-CG 3.23Å; Q338-Q342 PolarHBondContact O-N 3.28Å
339	R	91.9	Very high	90.2	Very high	128 Å²	128	43.8 Å²	43.8	48%	0.483	24%	0.236	S	C	.	.	H	α-helix	trans	-56.8	-47.9	177.3	-70	166.8	-176.9	148.3	-1	111.4	I335 D336 L341 Q342 Q343	I335-R339 WeakPolarHBondContact O-CG 3.22Å; I335-R339 PolarHBondContact O-N 3.45Å; D336-R339 PolarHBondContact O-N 3.24Å; D336-R339 IonicContact OD1-CZ 2.92Å; D336-R339 IonicContact OD1-NH1 3.83Å; D336-R339 PolarHBondContact OD1-NH1 3.09Å; R339-L341 VanDerWaalsContact C-N 3.34Å; R339-L341 PolarHBondContact O-N 2.96Å; R339-Q342 PolarHBondContact O-N 3.31Å; R339-Q343 WeakPolarHBondContact O-CB 3.38Å; R339-Q343 VanDerWaalsContact O-CG 3.24Å; R339-Q343 WeakPolarHBondContact O-CG 3.03Å; R339-Q343 PolarHBondContact O-N 3.46Å
340	A	93.6	Very high	90.7	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.017	22%	0.215	C	C	.	.	H	α-helix	trans	-64.6	-35.6	-179.7	0	0	0	0	0	113	A303 Y306 L307 D336 I337 Q338 V344	A303-A340 HydrophobicContact CB-CB 4.24Å; Y306-A340 HydrophobicContact CD1-CB 4.17Å; L307-A340 HydrophobicContact CD1-CB 3.86Å; L307-A340 HydrophobicContact CD2-CB 3.74Å; L307-A340 HydrophobicContact CG-CB 3.57Å; D336-A340 WeakPolarHBondContact O-CB 3.21Å; D336-A340 PolarHBondContact O-N 2.93Å; I337-A340 PolarHBondContact O-N 3.38Å; Q338-A340 VanDerWaalsContact C-N 3.35Å; Q338-A340 PolarHBondContact O-N 3.28Å; A340-V344 VanDerWaalsContact O-CG2 3.31Å; A340-V344 WeakPolarHBondContact O-CG2 3.5Å
341	L	93.8	Very high	91.1	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-68.4	-43.1	173.2	-73.8	164.1	0	0	0	112	C108 V110 I124 V299 M300 A303 I337 Q338 R339 Q343 V344 F355	C108-L341 HydrophobicContact CB-CD1 3.77Å; V110-L341 HydrophobicContact CG2-CD1 4.32Å; V110-L341 HydrophobicContact CG2-CD2 4.44Å; I124-L341 HydrophobicContact CD1-CB 4.04Å; I124-L341 HydrophobicContact CG1-CB 4Å; I124-L341 HydrophobicContact CG1-CD1 4.19Å; V299-L341 HydrophobicContact CG1-CD2 4.01Å; M300-L341 HydrophobicContact CG-CD2 4.15Å; A303-L341 HydrophobicContact CB-CD2 3.65Å; A303-L341 HydrophobicContact CB-CG 3.94Å; I337-L341 HydrophobicContact CG2-CD1 3.94Å; I337-L341 HydrophobicContact CG2-CG 4.46Å; I337-L341 WeakPolarHBondContact O-CB 3.45Å; I337-L341 VanDerWaalsContact O-CG 3.29Å; I337-L341 WeakPolarHBondContact O-CG 3.46Å; I337-L341 PolarHBondContact O-N 3.47Å; Q338-L341 PolarHBondContact O-N 3.04Å; R339-L341 VanDerWaalsContact C-N 3.34Å; R339-L341 PolarHBondContact O-N 2.96Å; L341-Q343 VanDerWaalsContact C-N 3.29Å; L341-Q343 PolarHBondContact O-N 3.44Å; L341-V344 PolarHBondContact O-N 2.83Å; L341-F355 WeakPolarHBondContact O-CD2 3.34Å
342	Q	93.1	Very high	91.7	Very high	35 Å²	35	42 Å²	42	16%	0.164	22%	0.221	C	C	.	.	H	α-helix	trans	-67.2	-29.2	177.8	-71.2	177.2	-34.7	0	0	112.8	I124 Q338 R339 V344 E357	I124-Q342 HydrophobicContact CD1-CG 3.74Å; Q338-Q342 HydrophobicContact CG-CG 4.34Å; Q338-Q342 WeakPolarHBondContact O-CB 3.29Å; Q338-Q342 WeakPolarHBondContact O-CG 3.23Å; Q338-Q342 PolarHBondContact O-N 3.28Å; R339-Q342 PolarHBondContact O-N 3.31Å; Q342-V344 VanDerWaalsContact C-N 3.31Å; Q342-E357 PolarHBondContact NE2-O 3.23Å
343	Q	92.8	Very high	92.5	Very high	110 Å²	110	39.9 Å²	39.9	51%	0.514	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	0.4	176.9	-72.1	172.1	-7	0	0	114.1	Y306 R339 L341 Q345	Y306-Q343 VanDerWaalsContact CE1-OE1 3.29Å; Y306-Q343 PolarHBondContact OH-OE1 3.15Å; R339-Q343 WeakPolarHBondContact O-CB 3.38Å; R339-Q343 VanDerWaalsContact O-CG 3.24Å; R339-Q343 WeakPolarHBondContact O-CG 3.03Å; R339-Q343 PolarHBondContact O-N 3.46Å; L341-Q343 VanDerWaalsContact C-N 3.29Å; L341-Q343 PolarHBondContact O-N 3.44Å; Q343-Q345 PolarHBondContact O-N 2.98Å
344	V	94.6	Very high	92.9	Very high	6 Å²	6	39.2 Å²	39.2	4%	0.036	20%	0.196	C	C	.	.			trans	-71.3	122.8	174.9	-178.8	0	0	0	0	110.3	V299 T302 A303 A340 L341 Q342 I346	V299-V344 HydrophobicContact CB-CG1 4.49Å; V299-V344 HydrophobicContact CG1-CB 4.21Å; V299-V344 HydrophobicContact CG1-CG1 4.29Å; V299-V344 HydrophobicContact CG1-CG2 4.12Å; V299-V344 HydrophobicContact CG2-CG1 4.22Å; T302-V344 HydrophobicContact CG2-CG1 4.04Å; T302-V344 HydrophobicContact CG2-CG2 4.45Å; A303-V344 HydrophobicContact CB-CG2 3.87Å; A340-V344 VanDerWaalsContact O-CG2 3.31Å; A340-V344 WeakPolarHBondContact O-CG2 3.5Å; L341-V344 PolarHBondContact O-N 2.83Å; Q342-V344 VanDerWaalsContact C-N 3.31Å; V344-I346 HydrophobicContact CG1-CB 4.39Å; V344-I346 HydrophobicContact CG1-CD1 4Å; V344-I346 HydrophobicContact CG1-CG1 3.85Å; V344-I346 HydrophobicContact CG1-CG2 3.87Å
345	Q	95.3	Very high	93.2	Very high	125 Å²	125	39.8 Å²	39.8	58%	0.584	20%	0.198	S	C	*	.			trans	-121.7	110.9	166.3	-70.6	175.9	-21.9	0	0	107.9	Q343 I353 Q354	Q343-Q345 PolarHBondContact O-N 2.98Å; Q345-I353 WeakPolarHBondContact CA-O 3.44Å; Q345-Q354 HydrophobicContact CG-CB 4.42Å; Q345-Q354 HydrophobicContact CG-CG 4.2Å
346	I	94.7	Very high	93.2	Very high	25 Å²	25	38.8 Å²	38.8	13%	0.128	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	156.8	-179.8	60.9	176.3	0	0	0	111.3	K298 V299 T302 V344 I353	K298-I346 HydrophobicContact CB-CD1 4.28Å; K298-I346 HydrophobicContact CD-CD1 3.99Å; K298-I346 HydrophobicContact CG-CD1 3.8Å; V299-I346 HydrophobicContact CG2-CD1 3.81Å; V299-I346 HydrophobicContact CG2-CG1 4.35Å; T302-I346 HydrophobicContact CG2-CG2 3.96Å; V344-I346 HydrophobicContact CG1-CB 4.39Å; V344-I346 HydrophobicContact CG1-CD1 4Å; V344-I346 HydrophobicContact CG1-CG1 3.85Å; V344-I346 HydrophobicContact CG1-CG2 3.87Å; I346-I353 HydrophobicContact CG1-CB 4.28Å; I346-I353 HydrophobicContact CG1-CD1 4.28Å; I346-I353 PolarHBondContact N-O 2.96Å; I346-I353 VanDerWaalsContact N-O 3.16Å; I346-I353 WeakPolarHBondContact O-CA 3.32Å; I346-I353 WeakPolarHBondContact O-CB 3.34Å; I346-I353 PolarHBondContact O-N 2.79Å
347	D	93.7	Very high	93	Very high	103 Å²	103	45.2 Å²	45.2	55%	0.551	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	129.1	168.9	-49.2	-55.8	0	0	0	110.1	K298 H352	K298-D347 PolarHBondContact NZ-O 3.19Å; D347-H352 IonicContact OD1-CE1 3.24Å; D347-H352 IonicContact OD1-CG 3.78Å; D347-H352 IonicContact OD1-ND1 2.72Å; D347-H352 PolarHBondContact OD1-ND1 3.47Å
348	G	91.7	Very high	92.8	Very high	10 Å²	10	49.6 Å²	49.6	10%	0.103	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-169.4	-178.7	0	0	0	0	0	113.4	D295 T350 G351	D295-G348 WeakPolarHBondContact OD1-CA 3.5Å; G348-T350 PolarHBondContact O-N 2.68Å; G348-G351 PolarHBondContact N-O 2.78Å; G348-G351 PolarHBondContact O-N 3.24Å
349	L	92.7	Very high	92.6	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.021	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.8	171	-61.2	-178.2	0	0	0	112.3	V264 I267 L286 A291 Y294 D295	V264-L349 HydrophobicContact CB-CD2 4.41Å; V264-L349 HydrophobicContact CG1-CD2 4.24Å; V264-L349 HydrophobicContact CG2-CD2 4.3Å; I267-L349 HydrophobicContact CB-CD2 3.91Å; I267-L349 HydrophobicContact CD1-CD2 3.71Å; I267-L349 HydrophobicContact CG1-CD2 4.4Å; I267-L349 HydrophobicContact CG2-CD1 4.16Å; I267-L349 HydrophobicContact CG2-CD2 3.92Å; L286-L349 HydrophobicContact CD2-CD1 3.75Å; A291-L349 HydrophobicContact CB-CB 4.03Å; A291-L349 HydrophobicContact CB-CD1 4.23Å; Y294-L349 HydrophobicContact CD1-CD1 3.47Å; Y294-L349 VanDerWaalsContact CD1-CD1 3.47Å; Y294-L349 HydrophobicContact CD1-CG 3.78Å; Y294-L349 HydrophobicContact CD2-CD1 4.48Å; Y294-L349 HydrophobicContact CE1-CD1 4.06Å; Y294-L349 HydrophobicContact CE1-CG 4.12Å; Y294-L349 HydrophobicContact CG-CD1 3.72Å; D295-L349 VanDerWaalsContact CG-N 3.33Å; D295-L349 PolarHBondContact OD1-N 2.87Å; D295-L349 PolarHBondContact OD2-N 3.15Å; D295-L349 VanDerWaalsContact OD2-N 3.09Å
350	T	93.6	Very high	92.5	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	22.6	176.3	59	0	0	0	0	113.5	L256 V257 A291 L292 D295 G348 R361	L256-T350 HydrophobicContact CD2-CG2 3.68Å; L256-T350 HydrophobicContact CG-CG2 3.86Å; V257-T350 HydrophobicContact CG2-CG2 4.08Å; A291-T350 HydrophobicContact CB-CG2 4.15Å; L292-T350 HydrophobicContact CD2-CG2 3.84Å; L292-T350 HydrophobicContact CG-CG2 4.07Å; D295-T350 WeakPolarHBondContact OD2-CB 3.42Å; D295-T350 PolarHBondContact OD2-N 2.85Å; D295-T350 PolarHBondContact OD2-OG1 2.74Å; G348-T350 PolarHBondContact O-N 2.68Å; T350-R361 PolarHBondContact O-NH2 2.95Å; T350-R361 PolarHBondContact OG1-NH1 2.86Å; T350-R361 PolarHBondContact OG1-NH2 3.14Å
351	G	92.3	Very high	92.4	Very high	30 Å²	30	45.9 Å²	45.9	31%	0.309	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	76.9	-151.6	-177.1	0	0	0	0	0	112.8	G348	G348-G351 PolarHBondContact N-O 2.78Å; G348-G351 PolarHBondContact O-N 3.24Å
352	H	94.1	Very high	92.3	Very high	62 Å²	62	47.1 Å²	47.1	29%	0.287	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	136	-177.8	-164.5	65.3	0	0	0	112.4	D347 R361	D347-H352 IonicContact OD1-CE1 3.24Å; D347-H352 IonicContact OD1-CG 3.78Å; D347-H352 IonicContact OD1-ND1 2.72Å; D347-H352 PolarHBondContact OD1-ND1 3.47Å; H352-R361 PolarHBondContact O-NE 3.07Å; H352-R361 PolarHBondContact O-NH2 3.01Å
353	I	95.3	Very high	92.3	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	112.8	-179.5	-57.4	163.1	0	0	0	108.7	D295 V299 Q345 I346 F355	D295-I353 HydrophobicContact CB-CD1 3.71Å; V299-I353 HydrophobicContact CG2-CD1 4.49Å; V299-I353 HydrophobicContact CG2-CG2 4.03Å; Q345-I353 WeakPolarHBondContact CA-O 3.44Å; I346-I353 HydrophobicContact CG1-CB 4.28Å; I346-I353 HydrophobicContact CG1-CD1 4.28Å; I346-I353 PolarHBondContact N-O 2.96Å; I346-I353 VanDerWaalsContact N-O 3.16Å; I346-I353 WeakPolarHBondContact O-CA 3.32Å; I346-I353 WeakPolarHBondContact O-CB 3.34Å; I346-I353 PolarHBondContact O-N 2.79Å; I353-F355 HydrophobicContact CG2-CE1 4.27Å; I353-F355 HydrophobicContact CG2-CE2 3.73Å; I353-F355 HydrophobicContact CG2-CZ 3.5Å; I353-F355 VanDerWaalsContact CG2-CZ 3.5Å
354	Q	94.6	Very high	92.3	Very high	52 Å²	52	43.8 Å²	43.8	24%	0.243	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	148.9	171.9	176.9	177	-1.2	0	0	108.6	Q345 R361 T362 N363	Q345-Q354 HydrophobicContact CG-CB 4.42Å; Q345-Q354 HydrophobicContact CG-CG 4.2Å; Q354-R361 WeakPolarHBondContact O-CA 3.5Å; Q354-T362 PolarHBondContact O-N 2.8Å; Q354-N363 PolarHBondContact OE1-ND2 2.89Å; Q354-N363 VanDerWaalsContact OE1-ND2 3.15Å
355	F	93.3	Very high	92.2	Very high	12 Å²	12	46.5 Å²	46.5	5%	0.053	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	154.6	176.7	-54	-77.7	0	0	0	111.9	I124 L126 V299 L341 I353 R360 R361	I124-F355 HydrophobicContact CG2-CD1 3.84Å; I124-F355 HydrophobicContact CG2-CD2 4.43Å; I124-F355 HydrophobicContact CG2-CE1 3.48Å; I124-F355 VanDerWaalsContact CG2-CE1 3.48Å; I124-F355 HydrophobicContact CG2-CE2 4.12Å; I124-F355 HydrophobicContact CG2-CG 4.31Å; I124-F355 HydrophobicContact CG2-CZ 3.64Å; L126-F355 HydrophobicContact CD2-CE1 4.09Å; L126-F355 HydrophobicContact CD2-CZ 3.76Å; V299-F355 HydrophobicContact CG1-CE2 3.95Å; V299-F355 HydrophobicContact CG1-CZ 4.31Å; V299-F355 HydrophobicContact CG2-CE2 4.23Å; V299-F355 HydrophobicContact CG2-CZ 4.28Å; L341-F355 WeakPolarHBondContact O-CD2 3.34Å; I353-F355 HydrophobicContact CG2-CE1 4.27Å; I353-F355 HydrophobicContact CG2-CE2 3.73Å; I353-F355 HydrophobicContact CG2-CZ 3.5Å; I353-F355 VanDerWaalsContact CG2-CZ 3.5Å; F355-R360 WeakPolarHBondContact CA-O 3.26Å; F355-R361 HydrophobicContact CD1-CB 4.43Å; F355-R361 HydrophobicContact CE1-CB 4.44Å
356	N	90.2	Very high	92.1	Very high	38 Å²	38	40.6 Å²	40.6	20%	0.203	21%	0.209	C	C	.	.			trans	-92.3	176.3	167.1	61.4	41.6	0	0	0	112.3	K358 G359 R360 T362	N356-K358 PolarHBondContact O-N 2.94Å; N356-K358 WeakPolarHBondContact OD1-CB 3.44Å; N356-K358 PolarHBondContact OD1-N 2.86Å; N356-K358 VanDerWaalsContact OD1-N 3.1Å; N356-G359 PolarHBondContact O-N 2.89Å; N356-G359 PolarHBondContact OD1-N 3.24Å; N356-R360 PolarHBondContact N-O 2.86Å; N356-R360 PolarHBondContact ND2-O 3.09Å; N356-R360 PolarHBondContact OD1-N 2.85Å; N356-R360 PolarHBondContact OD1-O 2.96Å; N356-T362 HydrophobicContact CB-CG2 3.94Å; N356-T362 VanDerWaalsContact ND2-CG2 3.29Å; N356-T362 WeakPolarHBondContact ND2-CG2 3.33Å
357	E	88.4	Confident	92.1	Very high	179 Å²	179	40 Å²	40	84%	0.836	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-20.7	-179.8	-57.6	-177.3	157.1	0	0	114.5	Q342	Q342-E357 PolarHBondContact NE2-O 3.23Å
358	K	86.9	Confident	92.1	Very high	94 Å²	94	35.1 Å²	35.1	41%	0.409	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	5.1	175.3	-59.2	-177.1	178.6	-178.7	0	113.3	N356 R360	N356-K358 PolarHBondContact O-N 2.94Å; N356-K358 WeakPolarHBondContact OD1-CB 3.44Å; N356-K358 PolarHBondContact OD1-N 2.86Å; N356-K358 VanDerWaalsContact OD1-N 3.1Å; K358-R360 HydrophobicContact CB-CG 4.44Å; K358-R360 PolarHBondContact O-N 3.2Å
359	G	88.7	Confident	92.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	71.1	10.2	-177.8	0	0	0	0	0	115.1	I124 Q125 N356	I124-G359 WeakPolarHBondContact CA-O 3.4Å; Q125-G359 PolarHBondContact N-O 3.45Å; N356-G359 PolarHBondContact O-N 2.89Å; N356-G359 PolarHBondContact OD1-N 3.24Å
360	R	90.3	Very high	92.1	Very high	60 Å²	60	37.8 Å²	37.8	23%	0.226	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-83.9	144.6	171.9	-50.9	-175.4	-61.3	152.9	5.7	109.6	E129 F355 N356 K358	E129-R360 WeakPolarHBondContact OE1-CD 3.49Å; E129-R360 IonicContact OE1-CZ 2.68Å; E129-R360 IonicContact OE1-NE 3.3Å; E129-R360 IonicContact OE1-NH1 3.57Å; E129-R360 PolarHBondContact OE1-NH1 2.87Å; E129-R360 IonicContact OE2-CZ 2.66Å; E129-R360 IonicContact OE2-NH1 2.65Å; E129-R360 PolarHBondContact OE2-NH1 3.14Å; F355-R360 WeakPolarHBondContact CA-O 3.26Å; N356-R360 PolarHBondContact N-O 2.86Å; N356-R360 PolarHBondContact ND2-O 3.09Å; N356-R360 PolarHBondContact OD1-N 2.85Å; N356-R360 PolarHBondContact OD1-O 2.96Å; K358-R360 HydrophobicContact CB-CG 4.44Å; K358-R360 PolarHBondContact O-N 3.2Å
361	R	91.6	Very high	91.9	Very high	13 Å²	13	38.5 Å²	38.5	5%	0.049	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	142.5	175	-171.7	171.2	-179.3	172.5	-2	111.5	Q125 L126 T350 H352 Q354 F355 Y364	Q125-R361 PolarHBondContact O-N 3.43Å; L126-R361 WeakPolarHBondContact O-CD 3.25Å; L126-R361 PolarHBondContact O-NH1 2.85Å; T350-R361 PolarHBondContact O-NH2 2.95Å; T350-R361 PolarHBondContact OG1-NH1 2.86Å; T350-R361 PolarHBondContact OG1-NH2 3.14Å; H352-R361 PolarHBondContact O-NE 3.07Å; H352-R361 PolarHBondContact O-NH2 3.01Å; Q354-R361 WeakPolarHBondContact O-CA 3.5Å; F355-R361 HydrophobicContact CD1-CB 4.43Å; F355-R361 HydrophobicContact CE1-CB 4.44Å; R361-Y364 HydrophobicContact CG-CD1 4.26Å
362	T	91.6	Very high	91.5	Very high	27 Å²	27	38.3 Å²	38.3	17%	0.166	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	170	176.7	49.4	0	0	0	0	109.9	Q354 N356 Y364 E384	Q354-T362 PolarHBondContact O-N 2.8Å; N356-T362 HydrophobicContact CB-CG2 3.94Å; N356-T362 VanDerWaalsContact ND2-CG2 3.29Å; N356-T362 WeakPolarHBondContact ND2-CG2 3.33Å; T362-Y364 VanDerWaalsContact C-N 3.33Å; T362-Y364 PolarHBondContact O-N 2.99Å; T362-E384 VanDerWaalsContact CA-OE1 3.23Å; T362-E384 WeakPolarHBondContact CA-OE1 3.26Å
363	N	91.4	Very high	90.8	Very high	66 Å²	66	41.2 Å²	41.2	35%	0.353	21%	0.214	S	C	.	.	S	Bend	trans	51.6	51.4	178.6	-173.5	15.7	0	0	0	111.9	Q354 E384	Q354-N363 PolarHBondContact OE1-ND2 2.89Å; Q354-N363 VanDerWaalsContact OE1-ND2 3.15Å; N363-E384 PolarHBondContact N-OE1 3.41Å; N363-E384 PolarHBondContact N-OE2 3.16Å
364	Y	92.7	Very high	90.2	Very high	9 Å²	9	46.2 Å²	46.2	4%	0.035	25%	0.25	C	C	.	.			trans	-111	161.5	176.9	60.1	-89.2	0	0	0	111	P128 E129 R361 T362 V366 W382 E384	P128-Y364 HydrophobicContact CB-CD1 3.7Å; P128-Y364 HydrophobicContact CB-CD2 3.44Å; P128-Y364 VanDerWaalsContact CB-CD2 3.44Å; P128-Y364 HydrophobicContact CB-CE1 3.64Å; P128-Y364 HydrophobicContact CB-CE2 3.38Å; P128-Y364 HydrophobicContact CB-CG 3.59Å; P128-Y364 VanDerWaalsContact CB-CZ 3.49Å; P128-Y364 HydrophobicContact CG-CD2 4.04Å; P128-Y364 HydrophobicContact CG-CE2 4.22Å; P128-Y364 HydrophobicContact CG-CG 4.38Å; E129-Y364 PolarHBondContact N-OH 3.29Å; E129-Y364 PolarHBondContact O-OH 3.49Å; R361-Y364 HydrophobicContact CG-CD1 4.26Å; T362-Y364 VanDerWaalsContact C-N 3.33Å; T362-Y364 PolarHBondContact O-N 2.99Å; Y364-V366 HydrophobicContact CD2-CG2 3.74Å; Y364-V366 HydrophobicContact CE2-CG2 3.8Å; Y364-W382 HydrophobicContact CD2-CZ3 4.41Å; Y364-W382 HydrophobicContact CE2-CE3 4.14Å; Y364-W382 AromaticContact CE2-CZ3 3.59Å; Y364-W382 HydrophobicContact CE2-CZ3 3.59Å; Y364-W382 AromaticContact CZ-CZ3 3.79Å; Y364-E384 VanDerWaalsContact CD1-OE1 3.32Å; Y364-E384 WeakPolarHBondContact CD1-OE1 3.38Å; Y364-E384 WeakPolarHBondContact CE1-OE1 3.47Å
365	T	92.9	Very high	89.7	Confident	64 Å²	64	44.3 Å²	44.3	39%	0.393	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.7	176.3	-49.2	0	0	0	0	109.6	Y381 W382	T365-Y381 HydrophobicContact CG2-CD2 3.92Å; T365-Y381 HydrophobicContact CG2-CG 4.11Å; T365-W382 CarbonylContact C-O 3.55Å; T365-W382 WeakPolarHBondContact CA-O 3.26Å
366	V	94.1	Very high	89.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	129	175.9	-172.2	0	0	0	0	108.6	L234 F254 Y364 Y381 W382	L234-V366 HydrophobicContact CD2-CG1 3.94Å; L234-V366 HydrophobicContact CD2-CG2 4.26Å; F254-V366 HydrophobicContact CB-CG1 3.69Å; F254-V366 HydrophobicContact CD1-CG1 3.92Å; F254-V366 HydrophobicContact CG-CG1 4.26Å; Y364-V366 HydrophobicContact CD2-CG2 3.74Å; Y364-V366 HydrophobicContact CE2-CG2 3.8Å; V366-Y381 CarbonylContact O-C 3.34Å; V366-Y381 WeakPolarHBondContact O-CA 3.46Å; V366-W382 PolarHBondContact N-O 3.38Å; V366-W382 PolarHBondContact O-N 3.37Å
367	S	94	Very high	89.4	Confident	13 Å²	13	50.4 Å²	50.4	9%	0.091	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	133.1	174	-60.2	0	0	0	0	110.1	Q255 K378	Q255-S367 PolarHBondContact N-O 3.02Å; Q255-S367 WeakPolarHBondContact O-CB 3.41Å; Q255-S367 PolarHBondContact O-N 3.04Å; S367-K378 WeakPolarHBondContact OG-CE 3.49Å; S367-K378 PolarHBondContact OG-NZ 3.14Å
368	V	94.8	Very high	89.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	127.8	174	-177.8	0	0	0	0	108.9	V137 F254 V379 G380 Y388	V137-V368 HydrophobicContact CG2-CG1 4.12Å; V137-V368 HydrophobicContact CG2-CG2 3.91Å; F254-V368 HydrophobicContact CD1-CG2 3.96Å; F254-V368 HydrophobicContact CE1-CG2 3.93Å; V368-V379 HydrophobicContact CG1-CG2 4.08Å; V368-V379 WeakPolarHBondContact O-CG2 3.31Å; V368-V379 PolarHBondContact O-N 3.07Å; V368-G380 PolarHBondContact N-O 3.43Å; V368-G380 PolarHBondContact O-N 3.08Å; V368-Y388 HydrophobicContact CB-CE2 3.93Å; V368-Y388 HydrophobicContact CG1-CE2 4.13Å; V368-Y388 HydrophobicContact CG2-CD2 4.03Å; V368-Y388 HydrophobicContact CG2-CE2 3.74Å
369	M	92	Very high	89.6	Confident	16 Å²	16	41.7 Å²	41.7	8%	0.079	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	146	-173.5	-58.8	-64	-68.3	0	0	110.2	F236 L237 T252 G253 Q255 P376 K377 K378	F236-M369 HydrophobicContact CB-CB 4.37Å; F236-M369 HydrophobicContact CB-CG 4.44Å; F236-M369 HydrophobicContact CD1-CB 3.38Å; F236-M369 HydrophobicContact CD1-CG 4.08Å; F236-M369 HydrophobicContact CE1-CB 3.72Å; F236-M369 HydrophobicContact CG-CB 3.99Å; L237-M369 HydrophobicContact CD2-CE 4.24Å; T252-M369 CarbonylContact C-O 3.51Å; T252-M369 VanDerWaalsContact CA-O 3.26Å; T252-M369 WeakPolarHBondContact CA-O 3.48Å; G253-M369 PolarHBondContact N-O 3.36Å; G253-M369 PolarHBondContact O-N 3.5Å; Q255-M369 HydrophobicContact CB-CG 3.56Å; Q255-M369 HydrophobicContact CB-SD 4.26Å; Q255-M369 HydrophobicContact CG-CG 4.49Å; M369-P376 HydrophobicContact CE-CB 4.18Å; M369-K377 CarbonylContact C-O 3.56Å; M369-K377 WeakPolarHBondContact CA-O 3.39Å; M369-K378 VanDerWaalsContact SD-CA 3.54Å; M369-K378 HydrophobicContact SD-CB 3.75Å; M369-K378 HydrophobicContact SD-CG 4.35Å
370	E	91.6	Very high	89.8	Confident	54 Å²	54	41.7 Å²	41.7	25%	0.252	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	141.3	173.7	-171.7	174.5	-158.3	0	0	110	I251 T252 A372 P376 K377 V379	I251-E370 CarbonylContact O-C 3.6Å; I251-E370 WeakPolarHBondContact O-CA 3.38Å; T252-E370 HydrophobicContact CG2-CB 4.25Å; T252-E370 HydrophobicContact CG2-CG 4.02Å; E370-A372 PolarHBondContact O-N 3.1Å; E370-P376 WeakPolarHBondContact O-CA 3.5Å; E370-K377 PolarHBondContact N-O 3Å; E370-K377 PolarHBondContact O-N 3.37Å; E370-V379 HydrophobicContact CB-CG1 3.7Å; E370-V379 HydrophobicContact CB-CG2 4Å
371	L	89.9	Confident	89.9	Confident	18 Å²	18	41.6 Å²	41.6	9%	0.094	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	89.7	179.2	-175.2	64.3	0	0	0	111	F236 L241 L244 R245 I251	F236-L371 HydrophobicContact CZ-CB 4.3Å; L241-L371 HydrophobicContact CB-CD1 4.06Å; L241-L371 HydrophobicContact CB-CD2 3.99Å; L241-L371 HydrophobicContact CD1-CD1 4.13Å; L241-L371 HydrophobicContact CD1-CD2 4.42Å; L244-L371 HydrophobicContact CB-CD2 4.4Å; R245-L371 HydrophobicContact CB-CD2 4.19Å; I251-L371 HydrophobicContact CB-CB 4.04Å; I251-L371 HydrophobicContact CB-CD2 4.27Å; I251-L371 HydrophobicContact CD1-CD2 4.06Å; I251-L371 HydrophobicContact CG1-CD2 4.38Å; I251-L371 PolarHBondContact O-N 2.89Å
372	A	83.3	Confident	90	Very high	26 Å²	26	41.7 Å²	41.7	22%	0.215	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	161.3	171	0	0	0	0	0	111.4	E370 S374 G375	E370-A372 PolarHBondContact O-N 3.1Å; A372-S374 PolarHBondContact O-N 3.29Å; A372-S374 VanDerWaalsContact O-N 3.14Å; A372-G375 WeakPolarHBondContact CB-O 3.47Å; A372-G375 PolarHBondContact N-O 3.2Å; A372-G375 VanDerWaalsContact N-O 3.09Å; A372-G375 CarbonylContact O-C 3.59Å; A372-G375 PolarHBondContact O-N 2.73Å
373	P	79.4	Confident	90	Very high	122 Å²	122	41.3 Å²	41.3	79%	0.792	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-28	175	-27.3	36	0	0	0	114.2	G375	P373-G375 VanDerWaalsContact C-N 3.33Å
374	S	82.3	Confident	89.8	Confident	108 Å²	108	41.8 Å²	41.8	76%	0.755	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-16	173.7	50.3	0	0	0	0	114.1	A372	A372-S374 PolarHBondContact O-N 3.29Å; A372-S374 VanDerWaalsContact O-N 3.14Å
375	G	84.1	Confident	89.5	Confident	11 Å²	11	47.9 Å²	47.9	11%	0.113	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	130.8	178.2	-172.5	0	0	0	0	0	112.7	A372 P373 K377	A372-G375 WeakPolarHBondContact CB-O 3.47Å; A372-G375 PolarHBondContact N-O 3.2Å; A372-G375 VanDerWaalsContact N-O 3.09Å; A372-G375 CarbonylContact O-C 3.59Å; A372-G375 PolarHBondContact O-N 2.73Å; P373-G375 VanDerWaalsContact C-N 3.33Å; G375-K377 PolarHBondContact O-N 2.98Å
376	P	88.1	Confident	89.1	Confident	63 Å²	63	50.3 Å²	50.3	41%	0.409	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	130.5	178.2	28.2	-35	0	0	0	111.3	F236 L237 M369 E370	F236-P376 HydrophobicContact CD1-CB 4.17Å; F236-P376 HydrophobicContact CE1-CB 3.88Å; L237-P376 HydrophobicContact CD2-CB 3.75Å; L237-P376 HydrophobicContact CD2-CG 3.46Å; L237-P376 VanDerWaalsContact CD2-CG 3.46Å; M369-P376 HydrophobicContact CE-CB 4.18Å; E370-P376 WeakPolarHBondContact O-CA 3.5Å
377	K	88.6	Confident	88.9	Confident	116 Å²	116	57.1 Å²	57.1	50%	0.504	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	140.2	-178.5	-174.2	-173.2	174.3	-171.8	0	110.3	M369 E370 G375 V379	M369-K377 CarbonylContact C-O 3.56Å; M369-K377 WeakPolarHBondContact CA-O 3.39Å; E370-K377 PolarHBondContact N-O 3Å; E370-K377 PolarHBondContact O-N 3.37Å; G375-K377 PolarHBondContact O-N 2.98Å; K377-V379 PolarHBondContact O-N 3.22Å
378	K	90.6	Very high	88.7	Confident	79 Å²	79	58.1 Å²	58.1	34%	0.343	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	126.1	169.9	-176.3	169.5	176.8	164.5	0	110	S367 M369 G380	S367-K378 WeakPolarHBondContact OG-CE 3.49Å; S367-K378 PolarHBondContact OG-NZ 3.14Å; M369-K378 VanDerWaalsContact SD-CA 3.54Å; M369-K378 HydrophobicContact SD-CB 3.75Å; M369-K378 HydrophobicContact SD-CG 4.35Å; K378-G380 WeakPolarHBondContact CE-O 3.47Å
379	V	90.6	Very high	88.4	Confident	10 Å²	10	60.1 Å²	60.1	6%	0.061	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	-15.7	179.3	-64.6	0	0	0	0	113.1	V368 E370 K377 S390 T391 A392	V368-V379 HydrophobicContact CG1-CG2 4.08Å; V368-V379 WeakPolarHBondContact O-CG2 3.31Å; V368-V379 PolarHBondContact O-N 3.07Å; E370-V379 HydrophobicContact CB-CG1 3.7Å; E370-V379 HydrophobicContact CB-CG2 4Å; K377-V379 PolarHBondContact O-N 3.22Å; V379-S390 PolarHBondContact O-OG 3.1Å; V379-T391 CarbonylContact O-C 3.2Å; V379-T391 PolarHBondContact O-N 3.23Å; V379-A392 HydrophobicContact CB-CB 4.2Å; V379-A392 WeakPolarHBondContact O-CB 3.36Å; V379-A392 PolarHBondContact O-N 3.12Å
380	G	91.4	Very high	88	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	-179	175.7	0	0	0	0	0	112.9	V368 K378 V389 T391	V368-G380 PolarHBondContact N-O 3.43Å; V368-G380 PolarHBondContact O-N 3.08Å; K378-G380 WeakPolarHBondContact CE-O 3.47Å; G380-V389 CarbonylContact C-O 3.55Å; G380-V389 VanDerWaalsContact CA-O 3.22Å; G380-V389 WeakPolarHBondContact CA-O 3.48Å; G380-T391 WeakPolarHBondContact CA-OG1 3.49Å
381	Y	93.1	Very high	87.4	Confident	58 Å²	58	62.8 Å²	62.8	23%	0.227	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	163	158.6	59.9	-93.4	0	0	0	110	T365 V366 V389 T391	T365-Y381 HydrophobicContact CG2-CD2 3.92Å; T365-Y381 HydrophobicContact CG2-CG 4.11Å; V366-Y381 CarbonylContact O-C 3.34Å; V366-Y381 WeakPolarHBondContact O-CA 3.46Å; Y381-V389 HydrophobicContact CD2-CB 4.23Å; Y381-V389 HydrophobicContact CE1-CB 4.12Å; Y381-V389 HydrophobicContact CE1-CG1 4.09Å; Y381-V389 HydrophobicContact CE2-CB 3.75Å; Y381-V389 HydrophobicContact CE2-CG1 4.37Å; Y381-V389 HydrophobicContact CE2-CG2 3.84Å; Y381-V389 PolarHBondContact N-O 2.99Å; Y381-V389 PolarHBondContact O-N 2.72Å; Y381-T391 WeakPolarHBondContact CD1-OG1 3.46Å
382	W	94.4	Very high	86	Confident	15 Å²	15	63.5 Å²	63.5	6%	0.057	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.3	169.6	-177.2	99.7	0	0	0	109.4	D132 A133 Y364 T365 V366 E384 K387	D132-W382 HydrophobicContact CB-CH2 4.2Å; D132-W382 HydrophobicContact CB-CZ2 3.62Å; D132-W382 PolarHBondContact O-NE1 2.79Å; D132-W382 VanDerWaalsContact O-NE1 3.17Å; A133-W382 HydrophobicContact CB-CB 4.04Å; A133-W382 HydrophobicContact CB-CD2 3.59Å; A133-W382 HydrophobicContact CB-CE3 3.92Å; A133-W382 HydrophobicContact CB-CG 3.65Å; Y364-W382 HydrophobicContact CD2-CZ3 4.41Å; Y364-W382 HydrophobicContact CE2-CE3 4.14Å; Y364-W382 AromaticContact CE2-CZ3 3.59Å; Y364-W382 HydrophobicContact CE2-CZ3 3.59Å; Y364-W382 AromaticContact CZ-CZ3 3.79Å; T365-W382 CarbonylContact C-O 3.55Å; T365-W382 WeakPolarHBondContact CA-O 3.26Å; V366-W382 PolarHBondContact N-O 3.38Å; V366-W382 PolarHBondContact O-N 3.37Å; W382-E384 HydrophobicContact CH2-CG 3.93Å; W382-E384 HydrophobicContact CZ3-CG 4.08Å; W382-K387 VanDerWaalsContact CA-O 3.28Å; W382-K387 WeakPolarHBondContact CA-O 3.32Å; W382-K387 VanDerWaalsContact CD1-C 3.44Å
383	N	91.2	Very high	84.1	Confident	19 Å²	19	66.4 Å²	66.4	10%	0.102	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	169.9	170.7	59.7	12.5	0	0	0	110.1	E386 K387	N383-E386 PolarHBondContact ND2-OE2 2.87Å; N383-E386 WeakPolarHBondContact OD1-CA 3.28Å; N383-E386 VanDerWaalsContact OD1-CB 3.26Å; N383-E386 WeakPolarHBondContact OD1-CB 3.14Å; N383-E386 PolarHBondContact OD1-N 2.93Å; N383-K387 PolarHBondContact N-O 3.14Å; N383-K387 VanDerWaalsContact O-CA 3.28Å; N383-K387 WeakPolarHBondContact O-CA 3.42Å; N383-K387 PolarHBondContact O-N 2.8Å; N383-K387 PolarHBondContact OD1-N 3.18Å; N383-K387 PolarHBondContact OD1-O 3.13Å
384	E	86.6	Confident	82.2	Confident	77 Å²	77	66.9 Å²	66.9	36%	0.36	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-33.3	-177.8	-69.3	169.2	-169.7	0	0	112.6	T362 N363 Y364 W382	T362-E384 VanDerWaalsContact CA-OE1 3.23Å; T362-E384 WeakPolarHBondContact CA-OE1 3.26Å; N363-E384 PolarHBondContact N-OE1 3.41Å; N363-E384 PolarHBondContact N-OE2 3.16Å; Y364-E384 VanDerWaalsContact CD1-OE1 3.32Å; Y364-E384 WeakPolarHBondContact CD1-OE1 3.38Å; Y364-E384 WeakPolarHBondContact CE1-OE1 3.47Å; W382-E384 HydrophobicContact CH2-CG 3.93Å; W382-E384 HydrophobicContact CZ3-CG 4.08Å
385	D	86.4	Confident	80	Confident	136 Å²	136	63.8 Å²	63.8	73%	0.727	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-50.9	-173.7	-61.6	-62.1	0	0	0	114.3
386	E	84.8	Confident	77.8	Confident	115 Å²	115	72.7 Å²	72.7	54%	0.537	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-7.1	-174.7	-51.6	171.6	115.3	0	0	112.5	N383 V389	N383-E386 PolarHBondContact ND2-OE2 2.87Å; N383-E386 WeakPolarHBondContact OD1-CA 3.28Å; N383-E386 VanDerWaalsContact OD1-CB 3.26Å; N383-E386 WeakPolarHBondContact OD1-CB 3.14Å; N383-E386 PolarHBondContact OD1-N 2.93Å; E386-V389 HydrophobicContact CB-CG2 3.66Å
387	K	89	Confident	75.4	Confident	143 Å²	143	75.3 Å²	75.3	62%	0.622	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	61.3	-136.9	-174	-51.6	-178.2	-178	-176.7	0	110.8	W382 N383 V389	W382-K387 VanDerWaalsContact CA-O 3.28Å; W382-K387 WeakPolarHBondContact CA-O 3.32Å; W382-K387 VanDerWaalsContact CD1-C 3.44Å; N383-K387 PolarHBondContact N-O 3.14Å; N383-K387 VanDerWaalsContact O-CA 3.28Å; N383-K387 WeakPolarHBondContact O-CA 3.42Å; N383-K387 PolarHBondContact O-N 2.8Å; N383-K387 PolarHBondContact OD1-N 3.18Å; N383-K387 PolarHBondContact OD1-O 3.13Å; K387-V389 PolarHBondContact O-N 2.89Å
388	Y	89.9	Confident	72.7	Confident	34 Å²	34	76.2 Å²	76.2	13%	0.133	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	115.4	-179.8	176.9	-94.9	0	0	0	111.3	V137 H140 V368	V137-Y388 HydrophobicContact CG2-CD2 3.84Å; V137-Y388 HydrophobicContact CG2-CE2 3.99Å; H140-Y388 HydrophobicContact CB-CD1 3.76Å; H140-Y388 HydrophobicContact CB-CE1 3.77Å; H140-Y388 HydrophobicContact CB-CG 4.5Å; H140-Y388 AromaticContact CD2-CE1 3.27Å; H140-Y388 WeakPolarHBondContact CD2-CE1 3.32Å; H140-Y388 AromaticContact CD2-CZ 3.63Å; H140-Y388 PolarHBondContact CD2-OH 2.62Å; H140-Y388 AromaticContact CE1-CE1 3.76Å; H140-Y388 AromaticContact CG-CD1 3.7Å; H140-Y388 AromaticContact CG-CE1 3.24Å; H140-Y388 AromaticContact ND1-CD1 4Å; H140-Y388 AromaticContact ND1-CE1 3.56Å; H140-Y388 AromaticContact NE2-CE1 3.59Å; V368-Y388 HydrophobicContact CB-CE2 3.93Å; V368-Y388 HydrophobicContact CG1-CE2 4.13Å; V368-Y388 HydrophobicContact CG2-CD2 4.03Å; V368-Y388 HydrophobicContact CG2-CE2 3.74Å
389	V	89.1	Confident	70	Confident	42 Å²	42	77.4 Å²	77.4	26%	0.255	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	113.7	176.1	-175.7	0	0	0	0	109.5	G380 Y381 E386 K387 T391	G380-V389 CarbonylContact C-O 3.55Å; G380-V389 VanDerWaalsContact CA-O 3.22Å; G380-V389 WeakPolarHBondContact CA-O 3.48Å; Y381-V389 HydrophobicContact CD2-CB 4.23Å; Y381-V389 HydrophobicContact CE1-CB 4.12Å; Y381-V389 HydrophobicContact CE1-CG1 4.09Å; Y381-V389 HydrophobicContact CE2-CB 3.75Å; Y381-V389 HydrophobicContact CE2-CG1 4.37Å; Y381-V389 HydrophobicContact CE2-CG2 3.84Å; Y381-V389 PolarHBondContact N-O 2.99Å; Y381-V389 PolarHBondContact O-N 2.72Å; E386-V389 HydrophobicContact CB-CG2 3.66Å; K387-V389 PolarHBondContact O-N 2.89Å; V389-T391 PolarHBondContact O-N 2.94Å
390	S	84.3	Confident	67.7	Low	55 Å²	55	80.5 Å²	80.5	39%	0.385	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	117.5	175.1	-168.2	0	0	0	0	110.4	V379	V379-S390 PolarHBondContact O-OG 3.1Å
391	T	77.4	Confident	65.4	Low	72 Å²	72	84.7 Å²	84.7	44%	0.442	45%	0.448	S	S	.	.			trans	-102.8	-1.8	176.4	-25.4	0	0	0	0	111.6	V379 G380 Y381 V389 S393	V379-T391 CarbonylContact O-C 3.2Å; V379-T391 PolarHBondContact O-N 3.23Å; G380-T391 WeakPolarHBondContact CA-OG1 3.49Å; Y381-T391 WeakPolarHBondContact CD1-OG1 3.46Å; V389-T391 PolarHBondContact O-N 2.94Å; T391-S393 VanDerWaalsContact C-N 3.34Å; T391-S393 PolarHBondContact O-N 3.2Å
392	A	60.5	Low	63	Low	33 Å²	33	88.3 Å²	88.3	27%	0.273	47%	0.466	S	S	.	.	S	Bend	trans	-58.9	101.1	161.7	0	0	0	0	0	107.2	V379 L394	V379-A392 HydrophobicContact CB-CB 4.2Å; V379-A392 WeakPolarHBondContact O-CB 3.36Å; V379-A392 PolarHBondContact O-N 3.12Å; A392-L394 PolarHBondContact O-N 3Å
393	S	43.3	Very low	60.7	Low	87 Å²	87	89.4 Å²	89.4	61%	0.608	48%	0.483	S	S	*	.			trans	-46.2	113.8	179.1	54	0	0	0	0	109.6	T391 S395	T391-S393 VanDerWaalsContact C-N 3.34Å; T391-S393 PolarHBondContact O-N 3.2Å; S393-S395 PolarHBondContact O-N 3.08Å; S393-S395 PolarHBondContact O-OG 3.16Å; S393-S395 PolarHBondContact OG-OG 2.79Å
394	L	41.2	Very low	58.7	Low	132 Å²	132	91.8 Å²	91.8	69%	0.691	50%	0.495	S	S	*	.			trans	-70.2	69.1	-171.7	-164.2	109.3	0	0	0	111.1	A392 R396	A392-L394 PolarHBondContact O-N 3Å; L394-R396 HydrophobicContact CG-CB 4.29Å; L394-R396 PolarHBondContact O-N 3.41Å; L394-R396 VanDerWaalsContact O-N 3.17Å
395	S	35.7	Very low	57	Low	43 Å²	43	92 Å²	92	30%	0.301	50%	0.498	S	S	.	.			trans	-78.3	5	-177.2	-46.8	0	0	0	0	111.8	S393 V397 N398 N399	S393-S395 PolarHBondContact O-N 3.08Å; S393-S395 PolarHBondContact O-OG 3.16Å; S393-S395 PolarHBondContact OG-OG 2.79Å; S395-V397 PolarHBondContact O-N 2.82Å; S395-N398 PolarHBondContact O-N 2.92Å; S395-N399 PolarHBondContact O-N 3.36Å
396	R	37.8	Very low	55.7	Low	197 Å²	197	92 Å²	92	74%	0.743	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	22.6	-179	-69	-173.4	168.6	-175.3	-2.2	115.1	L394 D400	L394-R396 HydrophobicContact CG-CB 4.29Å; L394-R396 PolarHBondContact O-N 3.41Å; L394-R396 VanDerWaalsContact O-N 3.17Å; R396-D400 WeakPolarHBondContact CA-OD2 3.22Å
397	V	36.5	Very low	55	Low	119 Å²	119	92.2 Å²	92.2	72%	0.721	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.9	-41.3	179.3	-173.1	0	0	0	0	111.3	S395	S395-V397 PolarHBondContact O-N 2.82Å
398	N	32.3	Very low	54.8	Low	134 Å²	134	88.7 Å²	88.7	72%	0.717	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.2	-21.4	-173.2	-76.8	3.9	0	0	0	116.3	S395	S395-N398 PolarHBondContact O-N 2.92Å
399	N	35.4	Very low	54.7	Low	105 Å²	105	89.6 Å²	89.6	56%	0.561	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-13.8	-176	-70.8	-5.6	0	0	0	114.2	S395 T401 H402	S395-N399 PolarHBondContact O-N 3.36Å; N399-T401 PolarHBondContact O-N 3.27Å; N399-T401 VanDerWaalsContact O-N 3.14Å; N399-H402 PolarHBondContact O-N 3.44Å
400	D	41.5	Very low	54.8	Low	74 Å²	74	90.2 Å²	90.2	40%	0.396	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-7	-175.2	-79.8	-7.9	0	0	0	114.1	R396 H402 G403 L404	R396-D400 WeakPolarHBondContact CA-OD2 3.22Å; D400-H402 VanDerWaalsContact C-N 3.26Å; D400-H402 PolarHBondContact O-N 3.26Å; D400-G403 CarbonylContact O-C 3.52Å; D400-G403 WeakPolarHBondContact O-CA 3.36Å; D400-G403 PolarHBondContact O-N 3.45Å; D400-L404 HydrophobicContact CB-CD1 4.49Å; D400-L404 VanDerWaalsContact O-CD1 3.23Å; D400-L404 WeakPolarHBondContact O-CD1 3.26Å; D400-L404 PolarHBondContact O-N 3.38Å
401	T	43	Very low	55.3	Low	89 Å²	89	87.7 Å²	87.7	55%	0.546	47%	0.472	S	S	.	.	H	α-helix	trans	-53.6	-44.1	166.4	48.3	0	0	0	0	111.5	N399 G403 L405	N399-T401 PolarHBondContact O-N 3.27Å; N399-T401 VanDerWaalsContact O-N 3.14Å; T401-G403 VanDerWaalsContact C-N 3.28Å; T401-G403 PolarHBondContact O-N 2.92Å; T401-L405 WeakPolarHBondContact O-CB 3.35Å; T401-L405 WeakPolarHBondContact O-CD1 3.39Å; T401-L405 VanDerWaalsContact O-CG 3.28Å; T401-L405 WeakPolarHBondContact O-CG 3.43Å; T401-L405 PolarHBondContact O-N 2.99Å; T401-L405 VanDerWaalsContact O-N 3.09Å
402	H	42.3	Very low	56.2	Low	133 Å²	133	84.2 Å²	84.2	62%	0.616	45%	0.451	S	S	*	.	H	α-helix	trans	-71.8	-21.1	173.8	-74	-72.6	0	0	0	113.5	N399 D400 N406	N399-H402 PolarHBondContact O-N 3.44Å; D400-H402 VanDerWaalsContact C-N 3.26Å; D400-H402 PolarHBondContact O-N 3.26Å; H402-N406 PolarHBondContact O-N 2.93Å
403	G	45.6	Very low	57.8	Low	39 Å²	39	82.7 Å²	82.7	40%	0.402	44%	0.438	S	S	.	.	H	α-helix	trans	-72.9	-45.2	173.3	0	0	0	0	0	112.6	D400 T401 R407	D400-G403 CarbonylContact O-C 3.52Å; D400-G403 WeakPolarHBondContact O-CA 3.36Å; D400-G403 PolarHBondContact O-N 3.45Å; T401-G403 VanDerWaalsContact C-N 3.28Å; T401-G403 PolarHBondContact O-N 2.92Å; G403-R407 PolarHBondContact O-N 3.44Å
404	L	49.7	Very low	60.3	Low	68 Å²	68	79.4 Å²	79.4	36%	0.356	41%	0.413	S	S	.	.	H	α-helix	trans	-65.4	-44.2	173.9	-85.3	77.6	0	0	0	111.6	D400 N406 V450	D400-L404 HydrophobicContact CB-CD1 4.49Å; D400-L404 VanDerWaalsContact O-CD1 3.23Å; D400-L404 WeakPolarHBondContact O-CD1 3.26Å; D400-L404 PolarHBondContact O-N 3.38Å; L404-N406 VanDerWaalsContact C-N 3.34Å; L404-N406 PolarHBondContact O-N 2.92Å; L404-V450 HydrophobicContact CD2-CG1 4.18Å
405	L	50.4	Low	62.9	Low	82 Å²	82	76.8 Å²	76.8	43%	0.429	40%	0.399	S	S	.	.	H	α-helix	trans	-61.9	-36.1	-176.2	-80.7	163.1	0	0	0	113.8	T401 G451	T401-L405 WeakPolarHBondContact O-CB 3.35Å; T401-L405 WeakPolarHBondContact O-CD1 3.39Å; T401-L405 VanDerWaalsContact O-CG 3.28Å; T401-L405 WeakPolarHBondContact O-CG 3.43Å; T401-L405 PolarHBondContact O-N 2.99Å; T401-L405 VanDerWaalsContact O-N 3.09Å; L405-G451 VanDerWaalsContact CD2-O 3.24Å; L405-G451 WeakPolarHBondContact CD2-O 3.34Å
406	N	59.4	Low	65.6	Low	135 Å²	135	78.1 Å²	78.1	72%	0.722	40%	0.401	S	S	*	.	H	α-helix	trans	-99.2	-1.3	-174.5	-79.3	-21.7	0	0	0	114.9	H402 L404	H402-N406 PolarHBondContact O-N 2.93Å; L404-N406 VanDerWaalsContact C-N 3.34Å; L404-N406 PolarHBondContact O-N 2.92Å
407	R	71.2	Confident	68.3	Low	120 Å²	120	73.1 Å²	73.1	45%	0.453	40%	0.396	S	S	.	.			trans	-94.6	125.9	173.9	-178.8	174.2	-179.1	143.5	-4.9	109.9	G403 Y409 D487	G403-R407 PolarHBondContact O-N 3.44Å; R407-Y409 HydrophobicContact CB-CD2 4.3Å; R407-Y409 HydrophobicContact CB-CE2 3.78Å; R407-Y409 HydrophobicContact CG-CD2 4.17Å; R407-Y409 HydrophobicContact CG-CE2 3.92Å; R407-Y409 VanDerWaalsContact O-CD2 3.22Å; R407-Y409 WeakPolarHBondContact O-CD2 3.46Å; R407-Y409 WeakPolarHBondContact O-CE2 3.43Å; R407-Y409 PolarHBondContact O-N 3.28Å; R407-D487 IonicContact CZ-OD1 2.7Å; R407-D487 VanDerWaalsContact CZ-OD1 3.3Å; R407-D487 IonicContact NE-OD1 2.71Å; R407-D487 PolarHBondContact NE-OD1 3.44Å; R407-D487 IonicContact NH2-OD1 3.63Å; R407-D487 PolarHBondContact NH2-OD1 3.25Å
408	T	83.8	Confident	71.1	Confident	70 Å²	70	71.3 Å²	71.3	43%	0.429	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	110.4	165.7	-41.9	0	0	0	0	109.4	Q453 K455	T408-Q453 CarbonylContact C-O 3.58Å; T408-Q453 WeakPolarHBondContact CA-O 3.29Å; T408-Q453 HydrophobicContact CG2-CB 4.35Å; T408-K455 HydrophobicContact CG2-CB 4.09Å
409	Y	87.9	Confident	74	Confident	53 Å²	53	67.3 Å²	67.3	21%	0.208	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	132.1	179.1	-71.2	-102.2	0	0	0	111.3	R407 V411 Y452 Q453 Y454 K455 D487	R407-Y409 HydrophobicContact CB-CD2 4.3Å; R407-Y409 HydrophobicContact CB-CE2 3.78Å; R407-Y409 HydrophobicContact CG-CD2 4.17Å; R407-Y409 HydrophobicContact CG-CE2 3.92Å; R407-Y409 VanDerWaalsContact O-CD2 3.22Å; R407-Y409 WeakPolarHBondContact O-CD2 3.46Å; R407-Y409 WeakPolarHBondContact O-CE2 3.43Å; R407-Y409 PolarHBondContact O-N 3.28Å; Y409-V411 PolarHBondContact O-N 3.2Å; Y409-Y452 AromaticContact CD2-CD2 3.82Å; Y409-Y452 HydrophobicContact CD2-CD2 3.82Å; Y409-Y452 HydrophobicContact CD2-CG 4.15Å; Y409-Y452 HydrophobicContact CE2-CG 4.46Å; Y409-Y452 HydrophobicContact CG-CD2 4.16Å; Y409-Q453 PolarHBondContact N-O 2.92Å; Y409-Y454 CarbonylContact O-C 3.16Å; Y409-Y454 VanDerWaalsContact O-CA 3.25Å; Y409-Y454 WeakPolarHBondContact O-CA 3.39Å; Y409-K455 PolarHBondContact O-N 2.84Å; Y409-D487 HydrophobicContact CD1-CB 3.65Å; Y409-D487 HydrophobicContact CG-CB 4.41Å
410	I	91.1	Very high	76.9	Confident	55 Å²	55	62.4 Å²	62.4	28%	0.282	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	107.1	174.8	-58.7	176.1	0	0	0	108.1	K457 A486 D487 L488	I410-K457 HydrophobicContact CG2-CB 4.05Å; I410-K457 HydrophobicContact CG2-CD 3.82Å; I410-A486 HydrophobicContact CG2-CB 4.18Å; I410-D487 WeakPolarHBondContact CB-OD2 3.49Å; I410-D487 PolarHBondContact N-OD2 3.46Å; I410-D487 PolarHBondContact O-N 2.88Å; I410-L488 PolarHBondContact O-N 3.42Å
411	V	95	Very high	79.4	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.006	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	111.2	177	176.2	0	0	0	0	108.8	Y409 Y454 K455 L456 K457 L488 V490	Y409-V411 PolarHBondContact O-N 3.2Å; V411-Y454 HydrophobicContact CG2-CD2 4.15Å; V411-Y454 HydrophobicContact CG2-CG 4.45Å; V411-K455 PolarHBondContact N-O 3.33Å; V411-L456 HydrophobicContact CB-CD2 4.15Å; V411-L456 HydrophobicContact CG1-CD2 3.92Å; V411-K457 PolarHBondContact O-N 2.66Å; V411-L488 CarbonylContact C-O 3.53Å; V411-L488 WeakPolarHBondContact CA-O 3.42Å; V411-L488 HydrophobicContact CG2-CB 4.39Å; V411-L488 HydrophobicContact CG2-CD2 4.38Å; V411-V490 HydrophobicContact CG1-CB 3.97Å; V411-V490 HydrophobicContact CG1-CG2 3.74Å
412	T	95.7	Very high	81.8	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	141.8	174.2	-164.7	0	0	0	0	111.3	K457 M477 E480 A486 L488 A489 V490	T412-K457 CarbonylContact C-O 3.59Å; T412-K457 WeakPolarHBondContact CA-O 3.23Å; T412-M477 HydrophobicContact CG2-CB 4.05Å; T412-M477 HydrophobicContact CG2-CG 4.08Å; T412-E480 WeakPolarHBondContact CB-OE2 3.09Å; T412-E480 HydrophobicContact CG2-CB 4.33Å; T412-E480 PolarHBondContact OG1-OE2 2.89Å; T412-A486 HydrophobicContact CG2-CB 3.67Å; T412-L488 PolarHBondContact N-O 2.82Å; T412-A489 HydrophobicContact CG2-CB 3.69Å; T412-A489 WeakPolarHBondContact O-CA 3.39Å; T412-V490 PolarHBondContact O-N 3.5Å
413	T	95.6	Very high	84.2	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	174	-179.8	-159.2	0	0	0	0	111.8	V420 K457 I458 V459 V490	T413-V420 HydrophobicContact CG2-CG1 4.27Å; T413-V420 HydrophobicContact CG2-CG2 4.11Å; T413-K457 PolarHBondContact N-O 3.35Å; T413-I458 HydrophobicContact CG2-CD1 3.77Å; T413-I458 CarbonylContact O-C 3.54Å; T413-I458 WeakPolarHBondContact O-CA 3.36Å; T413-V459 PolarHBondContact O-N 3.28Å; T413-V490 VanDerWaalsContact CB-O 3.26Å; T413-V490 WeakPolarHBondContact CB-O 3.44Å; T413-V490 PolarHBondContact OG1-O 2.67Å
414	I	95.9	Very high	86.3	Confident	17 Å²	17	66 Å²	66	9%	0.087	33%	0.331	C	S	.	.			trans	-124.4	144	-177.5	-169	167.7	0	0	0	110.6	E416 V420 V459 G462 Y464 M477 A491 P492	I414-E416 PolarHBondContact O-N 3.4Å; I414-V420 WeakPolarHBondContact O-CB 3.31Å; I414-V459 HydrophobicContact CB-CG1 4.13Å; I414-V459 HydrophobicContact CD1-CG1 4.49Å; I414-V459 HydrophobicContact CG1-CG1 4.17Å; I414-G462 WeakPolarHBondContact CD1-O 3.33Å; I414-Y464 HydrophobicContact CD1-CD2 4.41Å; I414-Y464 HydrophobicContact CD1-CE2 4.2Å; I414-Y464 HydrophobicContact CG2-CE1 4.07Å; I414-M477 HydrophobicContact CB-CE 3.91Å; I414-M477 HydrophobicContact CB-SD 4.17Å; I414-M477 HydrophobicContact CG2-CE 3.72Å; I414-M477 HydrophobicContact CG2-SD 4.32Å; I414-A491 HydrophobicContact CG2-CB 4.5Å; I414-P492 HydrophobicContact CG2-CG 4.49Å
415	L	94.6	Very high	88.2	Confident	77 Å²	77	66.1 Å²	66.1	40%	0.403	33%	0.332	S	S	.	.			trans	-78.1	109.3	176.6	-64.6	174.2	0	0	0	109.9	V420 Q422 Y435 I458	L415-V420 HydrophobicContact CD2-CG1 4.04Å; L415-Q422 HydrophobicContact CD1-CG 4.48Å; L415-Q422 HydrophobicContact CD2-CG 4.07Å; L415-Y435 HydrophobicContact CD2-CD1 4.19Å; L415-Y435 HydrophobicContact CD2-CE1 4.16Å; L415-I458 HydrophobicContact CD1-CG1 4.47Å; L415-I458 HydrophobicContact CD1-CG2 4.37Å; L415-I458 HydrophobicContact CD2-CD1 3.64Å; L415-I458 HydrophobicContact CD2-CG1 4.21Å; L415-I458 HydrophobicContact CG-CD1 3.91Å; L415-I458 HydrophobicContact CG-CG1 4.17Å; L415-I458 HydrophobicContact CG-CG2 4.1Å
416	E	93.9	Very high	89.9	Confident	71 Å²	71	65.1 Å²	65.1	33%	0.332	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-153.9	125.4	179.5	-174.3	174.3	-121.3	0	0	109.7	I414 Y419 V420 Y464 P492	I414-E416 PolarHBondContact O-N 3.4Å; E416-Y419 HydrophobicContact CB-CD2 4.38Å; E416-Y419 HydrophobicContact CG-CD2 4.09Å; E416-Y419 WeakPolarHBondContact O-CA 3.37Å; E416-Y419 WeakPolarHBondContact O-CB 3.26Å; E416-Y419 PolarHBondContact O-N 3.26Å; E416-Y419 WeakPolarHBondContact OE2-CD2 3.32Å; E416-V420 CarbonylContact C-O 3.58Å; E416-V420 PolarHBondContact N-O 3.43Å; E416-V420 PolarHBondContact O-N 3.13Å; E416-Y464 PolarHBondContact OE1-OH 3.31Å; E416-Y464 PolarHBondContact OE2-OH 3.21Å; E416-P492 WeakPolarHBondContact OE2-CG 3.06Å
417	S	93.6	Very high	91.1	Very high	92 Å²	92	66.6 Å²	66.6	64%	0.643	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	135.9	178	-55.9	0	0	0	0	111.3	M421	S417-M421 WeakPolarHBondContact OG-CG 3.47Å; S417-M421 PolarHBondContact OG-SD 3.15Å; S417-M421 VanDerWaalsContact OG-SD 3.41Å
418	P	95	Very high	91.8	Very high	82 Å²	82	68.6 Å²	68.6	53%	0.532	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	cis	-96.8	15.3	2.8	39.5	-35.9	0	0	0	114	G437 Y438	P418-G437 WeakPolarHBondContact O-CA 3.32Å; P418-Y438 PolarHBondContact O-N 3.35Å; P418-Y438 VanDerWaalsContact O-N 3.09Å
419	Y	94.3	Very high	92	Very high	50 Å²	50	67.5 Å²	67.5	20%	0.196	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-55.7	-173.8	-59.1	-68.5	0	0	0	112.7	E416 G437 Y438 I439 P492	E416-Y419 HydrophobicContact CB-CD2 4.38Å; E416-Y419 HydrophobicContact CG-CD2 4.09Å; E416-Y419 WeakPolarHBondContact O-CA 3.37Å; E416-Y419 WeakPolarHBondContact O-CB 3.26Å; E416-Y419 PolarHBondContact O-N 3.26Å; E416-Y419 WeakPolarHBondContact OE2-CD2 3.32Å; Y419-G437 CarbonylContact O-C 3.59Å; Y419-G437 WeakPolarHBondContact O-CA 3.26Å; Y419-Y438 HydrophobicContact CD1-CD1 4.38Å; Y419-Y438 PolarHBondContact O-N 2.94Å; Y419-Y438 VanDerWaalsContact O-N 3.14Å; Y419-I439 HydrophobicContact CD1-CG1 4.08Å; Y419-I439 HydrophobicContact CG-CG1 4.33Å; Y419-I439 WeakPolarHBondContact O-CB 3.46Å; Y419-I439 PolarHBondContact O-N 3.35Å; Y419-P492 HydrophobicContact CD1-CB 4.29Å; Y419-P492 HydrophobicContact CD2-CB 3.95Å; Y419-P492 HydrophobicContact CD2-CG 3.66Å; Y419-P492 HydrophobicContact CE1-CB 4.25Å; Y419-P492 HydrophobicContact CE2-CB 3.89Å; Y419-P492 HydrophobicContact CE2-CG 4.06Å; Y419-P492 HydrophobicContact CG-CB 4.14Å; Y419-P492 HydrophobicContact CG-CG 3.9Å
420	V	95.8	Very high	91.9	Very high	2 Å²	2	70.8 Å²	70.8	1%	0.012	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-140.3	119.6	174.7	-172.4	0	0	0	0	109.3	T413 I414 L415 E416 Y435 I439 V440	T413-V420 HydrophobicContact CG2-CG1 4.27Å; T413-V420 HydrophobicContact CG2-CG2 4.11Å; I414-V420 WeakPolarHBondContact O-CB 3.31Å; L415-V420 HydrophobicContact CD2-CG1 4.04Å; E416-V420 CarbonylContact C-O 3.58Å; E416-V420 PolarHBondContact N-O 3.43Å; E416-V420 PolarHBondContact O-N 3.13Å; V420-Y435 HydrophobicContact CG1-CD1 4.23Å; V420-Y435 HydrophobicContact CG1-CG 4.38Å; V420-I439 HydrophobicContact CG2-CB 3.71Å; V420-I439 HydrophobicContact CG2-CG2 3.58Å; V420-V440 HydrophobicContact CB-CG2 4.44Å; V420-V440 HydrophobicContact CG1-CG2 3.93Å; V420-V440 HydrophobicContact CG2-CG2 4.22Å
421	M	94.3	Very high	91.8	Very high	60 Å²	60	70 Å²	70	30%	0.296	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	158.2	179.8	-59.9	178.5	-68.3	0	0	108.9	S417 Y435 E436	S417-M421 WeakPolarHBondContact OG-CG 3.47Å; S417-M421 PolarHBondContact OG-SD 3.15Å; S417-M421 VanDerWaalsContact OG-SD 3.41Å; M421-Y435 CarbonylContact O-C 3.58Å; M421-Y435 VanDerWaalsContact O-CA 3.25Å; M421-Y435 WeakPolarHBondContact O-CA 3.24Å; M421-E436 HydrophobicContact CB-CG 4.2Å; M421-E436 HydrophobicContact CE-CG 4.49Å; M421-E436 PolarHBondContact N-O 3.02Å; M421-E436 PolarHBondContact O-N 3.42Å
422	Q	92.9	Very high	91.5	Very high	88 Å²	88	71.8 Å²	71.8	41%	0.411	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	133	171.1	-64.7	-176	9.4	0	0	109.5	L415 H426 Y435	L415-Q422 HydrophobicContact CD1-CG 4.48Å; L415-Q422 HydrophobicContact CD2-CG 4.07Å; Q422-H426 HydrophobicContact CB-CB 4.36Å; Q422-Y435 HydrophobicContact CG-CD1 4.09Å; Q422-Y435 HydrophobicContact CG-CE1 4.03Å
423	K	92.3	Very high	91.2	Very high	49 Å²	49	76.6 Å²	76.6	21%	0.213	40%	0.399	C	S	.	.			trans	-62.9	147.9	176.3	-59.4	-159.9	177.2	130	0	110.4	N425 H426 L429 D433 K434 Y435 E436	K423-N425 PolarHBondContact O-N 3.45Å; K423-H426 VanDerWaalsContact O-CB 3.3Å; K423-H426 WeakPolarHBondContact O-CB 3.48Å; K423-H426 PolarHBondContact O-CD2 2.95Å; K423-H426 PolarHBondContact O-N 2.9Å; K423-L429 HydrophobicContact CB-CD1 4.37Å; K423-L429 HydrophobicContact CD-CD1 3.86Å; K423-D433 VanDerWaalsContact CD-O 3.28Å; K423-D433 WeakPolarHBondContact CD-O 3.39Å; K423-D433 WeakPolarHBondContact CE-O 3.38Å; K423-D433 PolarHBondContact NZ-O 3.05Å; K423-K434 PolarHBondContact N-O 3.37Å; K423-Y435 WeakPolarHBondContact CE-O 3.32Å; K423-Y435 PolarHBondContact NZ-O 2.73Å; K423-E436 HydrophobicContact CD-CB 4.46Å; K423-E436 HydrophobicContact CG-CB 3.98Å; K423-E436 HydrophobicContact CG-CG 3.91Å
424	K	88.8	Confident	91.1	Very high	213 Å²	213	80 Å²	80	93%	0.926	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-16.8	179.2	-64.1	-179.3	-178	175.9	0	114.7
425	N	90.9	Very high	91	Very high	70 Å²	70	80.9 Å²	80.9	37%	0.374	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	27.8	175.9	64.3	-28.5	0	0	0	113.3	K423 E427 Q428 L429	K423-N425 PolarHBondContact O-N 3.45Å; N425-E427 PolarHBondContact O-N 3.31Å; N425-Q428 PolarHBondContact O-N 3Å; N425-L429 PolarHBondContact O-N 2.64Å
426	H	85.3	Confident	91	Very high	62 Å²	62	80.9 Å²	80.9	29%	0.287	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-17.8	-177.3	64.8	68.4	0	0	0	115.6	Q422 K423 K434	Q422-H426 HydrophobicContact CB-CB 4.36Å; K423-H426 VanDerWaalsContact O-CB 3.3Å; K423-H426 WeakPolarHBondContact O-CB 3.48Å; K423-H426 PolarHBondContact O-CD2 2.95Å; K423-H426 PolarHBondContact O-N 2.9Å; H426-K434 HydrophobicContact CB-CB 4.31Å; H426-K434 WeakPolarHBondContact O-CD 3.45Å; H426-K434 WeakPolarHBondContact O-CE 3.47Å; H426-K434 WeakPolarHBondContact O-CG 3.41Å; H426-K434 PolarHBondContact O-NZ 2.87Å
427	E	85.1	Confident	91.1	Very high	165 Å²	165	78 Å²	78	77%	0.771	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-30.8	176.1	-56	-166.2	145.7	0	0	112.6	N425	N425-E427 PolarHBondContact O-N 3.31Å
428	Q	86.2	Confident	91.1	Very high	163 Å²	163	78.5 Å²	78.5	76%	0.762	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-18.1	-178.9	-62.3	176.2	-8.3	0	0	112.8	N425	N425-Q428 PolarHBondContact O-N 3Å
429	L	87.6	Confident	91.1	Very high	46 Å²	46	74.6 Å²	74.6	24%	0.241	37%	0.367	C	S	.	.			trans	-94.1	159.7	-179.5	-59.4	178.2	0	0	0	111.1	K423 N425 D433 K434	K423-L429 HydrophobicContact CB-CD1 4.37Å; K423-L429 HydrophobicContact CD-CD1 3.86Å; N425-L429 PolarHBondContact O-N 2.64Å; L429-D433 HydrophobicContact CB-CB 4.24Å; L429-D433 HydrophobicContact CD1-CB 4.4Å; L429-D433 VanDerWaalsContact CD1-O 3.25Å; L429-D433 WeakPolarHBondContact CD1-O 3.05Å; L429-K434 HydrophobicContact CB-CG 4.21Å; L429-K434 WeakPolarHBondContact O-CE 3.47Å
430	V	86.3	Confident	91.2	Very high	122 Å²	122	73.1 Å²	73.1	74%	0.739	36%	0.363	S	S	*	.			trans	-129.6	146	-176	-177.6	0	0	0	0	110
431	G	88.1	Confident	91.1	Very high	40 Å²	40	79.3 Å²	79.3	41%	0.412	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	65.5	-134.7	178.7	0	0	0	0	0	113.2	D433	G431-D433 VanDerWaalsContact C-N 3.31Å; G431-D433 PolarHBondContact O-N 3.48Å
432	N	90.1	Very high	91.1	Very high	38 Å²	38	78.5 Å²	78.5	20%	0.203	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-68.7	-28.6	-173.5	-61.8	-10.6	0	0	0	112.7	K434 Y435 Y454 K455 L456	N432-K434 PolarHBondContact O-N 3.29Å; N432-Y435 PolarHBondContact O-N 2.82Å; N432-Y435 VanDerWaalsContact O-N 3.1Å; N432-Y454 WeakPolarHBondContact ND2-CE2 3.43Å; N432-Y454 PolarHBondContact ND2-O 3.06Å; N432-K455 WeakPolarHBondContact OD1-CA 3.34Å; N432-L456 HydrophobicContact CB-CD1 4.15Å; N432-L456 HydrophobicContact CB-CG 4.48Å; N432-L456 PolarHBondContact OD1-N 3.3Å
433	D	89.4	Confident	91.1	Very high	101 Å²	101	74.3 Å²	74.3	54%	0.54	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-63.1	-15	-174.4	-68.2	-45	0	0	0	114.1	K423 L429 G431 Y435	K423-D433 VanDerWaalsContact CD-O 3.28Å; K423-D433 WeakPolarHBondContact CD-O 3.39Å; K423-D433 WeakPolarHBondContact CE-O 3.38Å; K423-D433 PolarHBondContact NZ-O 3.05Å; L429-D433 HydrophobicContact CB-CB 4.24Å; L429-D433 HydrophobicContact CD1-CB 4.4Å; L429-D433 VanDerWaalsContact CD1-O 3.25Å; L429-D433 WeakPolarHBondContact CD1-O 3.05Å; G431-D433 VanDerWaalsContact C-N 3.31Å; G431-D433 PolarHBondContact O-N 3.48Å; D433-Y435 PolarHBondContact O-N 3.03Å
434	K	92.3	Very high	91.2	Very high	72 Å²	72	73.8 Å²	73.8	31%	0.313	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-60.8	-20.8	173	-66	-167.3	169.4	-158.5	0	114.1	K423 H426 L429 N432	K423-K434 PolarHBondContact N-O 3.37Å; H426-K434 HydrophobicContact CB-CB 4.31Å; H426-K434 WeakPolarHBondContact O-CD 3.45Å; H426-K434 WeakPolarHBondContact O-CE 3.47Å; H426-K434 WeakPolarHBondContact O-CG 3.41Å; H426-K434 PolarHBondContact O-NZ 2.87Å; L429-K434 HydrophobicContact CB-CG 4.21Å; L429-K434 WeakPolarHBondContact O-CE 3.47Å; N432-K434 PolarHBondContact O-N 3.29Å
435	Y	94.3	Very high	91.4	Very high	35 Å²	35	68.6 Å²	68.6	14%	0.137	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	152.8	-173.1	-50.7	-71	0	0	0	112.3	L415 V420 M421 Q422 K423 N432 D433 L456 I458	L415-Y435 HydrophobicContact CD2-CD1 4.19Å; L415-Y435 HydrophobicContact CD2-CE1 4.16Å; V420-Y435 HydrophobicContact CG1-CD1 4.23Å; V420-Y435 HydrophobicContact CG1-CG 4.38Å; M421-Y435 CarbonylContact O-C 3.58Å; M421-Y435 VanDerWaalsContact O-CA 3.25Å; M421-Y435 WeakPolarHBondContact O-CA 3.24Å; Q422-Y435 HydrophobicContact CG-CD1 4.09Å; Q422-Y435 HydrophobicContact CG-CE1 4.03Å; K423-Y435 WeakPolarHBondContact CE-O 3.32Å; K423-Y435 PolarHBondContact NZ-O 2.73Å; N432-Y435 PolarHBondContact O-N 2.82Å; N432-Y435 VanDerWaalsContact O-N 3.1Å; D433-Y435 PolarHBondContact O-N 3.03Å; Y435-L456 HydrophobicContact CD2-CB 4.09Å; Y435-L456 HydrophobicContact CD2-CD1 3.97Å; Y435-L456 HydrophobicContact CE2-CB 4.2Å; Y435-I458 HydrophobicContact CD1-CD1 4.4Å; Y435-I458 HydrophobicContact CE1-CD1 3.84Å; Y435-I458 HydrophobicContact CE1-CG1 3.98Å
436	E	94.8	Very high	91.5	Very high	78 Å²	78	68.2 Å²	68.2	36%	0.364	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	161.8	172.7	60.7	-168.8	-179.8	0	0	110.9	M421 K423	M421-E436 HydrophobicContact CB-CG 4.2Å; M421-E436 HydrophobicContact CE-CG 4.49Å; M421-E436 PolarHBondContact N-O 3.02Å; M421-E436 PolarHBondContact O-N 3.42Å; K423-E436 HydrophobicContact CD-CB 4.46Å; K423-E436 HydrophobicContact CG-CB 3.98Å; K423-E436 HydrophobicContact CG-CG 3.91Å
437	G	95.1	Very high	91.7	Very high	9 Å²	9	65.7 Å²	65.7	9%	0.093	34%	0.34	C	S	.	.	S	Bend	trans	122.1	171	179	0	0	0	0	0	113.9	P418 Y419 I439 V440 E441	P418-G437 WeakPolarHBondContact O-CA 3.32Å; Y419-G437 CarbonylContact O-C 3.59Å; Y419-G437 WeakPolarHBondContact O-CA 3.26Å; G437-I439 VanDerWaalsContact C-N 3.29Å; G437-I439 PolarHBondContact O-N 3.17Å; G437-V440 WeakPolarHBondContact O-CB 3.47Å; G437-V440 PolarHBondContact O-N 2.83Å; G437-E441 PolarHBondContact O-N 3.3Å; G437-E441 VanDerWaalsContact O-N 3.14Å
438	Y	94.9	Very high	92	Very high	103 Å²	103	64.7 Å²	64.7	40%	0.404	33%	0.333	S	S	.	.	H	α-helix	trans	-55.4	-38.2	-168.7	-178.4	-94.6	0	0	0	114.2	P418 Y419 L442 F509 M510	P418-Y438 PolarHBondContact O-N 3.35Å; P418-Y438 VanDerWaalsContact O-N 3.09Å; Y419-Y438 HydrophobicContact CD1-CD1 4.38Å; Y419-Y438 PolarHBondContact O-N 2.94Å; Y419-Y438 VanDerWaalsContact O-N 3.14Å; Y438-L442 HydrophobicContact CE1-CD2 4.48Å; Y438-L442 VanDerWaalsContact O-CB 3.31Å; Y438-L442 WeakPolarHBondContact O-CB 3.41Å; Y438-L442 PolarHBondContact O-N 2.64Å; Y438-F509 HydrophobicContact CE1-CD2 4.29Å; Y438-F509 AromaticContact CE1-CE2 3.91Å; Y438-F509 HydrophobicContact CE1-CE2 3.91Å; Y438-M510 HydrophobicContact CD1-CE 4.45Å; Y438-M510 HydrophobicContact CE1-CE 3.79Å
439	I	95.1	Very high	92.2	Very high	1 Å²	1	65 Å²	65	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-77.2	-28.7	-179.9	-73.4	-64.4	0	0	0	111.9	Y419 V420 G437 L442 A443 V490 F509	Y419-I439 HydrophobicContact CD1-CG1 4.08Å; Y419-I439 HydrophobicContact CG-CG1 4.33Å; Y419-I439 WeakPolarHBondContact O-CB 3.46Å; Y419-I439 PolarHBondContact O-N 3.35Å; V420-I439 HydrophobicContact CG2-CB 3.71Å; V420-I439 HydrophobicContact CG2-CG2 3.58Å; G437-I439 VanDerWaalsContact C-N 3.29Å; G437-I439 PolarHBondContact O-N 3.17Å; I439-L442 HydrophobicContact CD1-CD2 4.13Å; I439-A443 VanDerWaalsContact O-CB 3.31Å; I439-A443 WeakPolarHBondContact O-CB 3.37Å; I439-A443 PolarHBondContact O-N 3.41Å; I439-V490 HydrophobicContact CD1-CG1 4.34Å; I439-V490 HydrophobicContact CG2-CB 4.38Å; I439-V490 HydrophobicContact CG2-CG1 4.05Å; I439-V490 WeakPolarHBondContact CG2-O 3.21Å; I439-F509 HydrophobicContact CD1-CZ 4.05Å
440	V	94.9	Very high	92.1	Very high	19 Å²	19	66.7 Å²	66.7	12%	0.115	35%	0.346	C	S	.	.	H	α-helix	trans	-68.6	-44.1	175.3	-176.4	0	0	0	0	110.1	V420 G437 A443 A444 L456	V420-V440 HydrophobicContact CB-CG2 4.44Å; V420-V440 HydrophobicContact CG1-CG2 3.93Å; V420-V440 HydrophobicContact CG2-CG2 4.22Å; G437-V440 WeakPolarHBondContact O-CB 3.47Å; G437-V440 PolarHBondContact O-N 2.83Å; V440-A443 PolarHBondContact O-N 3.13Å; V440-A444 PolarHBondContact O-N 3.23Å; V440-A444 VanDerWaalsContact O-N 3.1Å; V440-L456 HydrophobicContact CG1-CD1 4.03Å; V440-L456 HydrophobicContact CG2-CD1 4.45Å
441	E	94.6	Very high	92	Very high	131 Å²	131	62.2 Å²	62.2	61%	0.612	32%	0.324	S	S	*	.	H	α-helix	trans	-65.9	-44	175.2	-68.4	170.7	-163.7	0	0	111.7	G437 A443 A444 E445	G437-E441 PolarHBondContact O-N 3.3Å; G437-E441 VanDerWaalsContact O-N 3.14Å; E441-A443 PolarHBondContact O-N 3.16Å; E441-A444 WeakPolarHBondContact O-CB 3.43Å; E441-A444 PolarHBondContact O-N 3.47Å; E441-E445 PolarHBondContact O-N 3.37Å
442	L	93.9	Very high	91.9	Very high	43 Å²	43	61.8 Å²	61.8	23%	0.225	31%	0.31	C	S	.	.	H	α-helix	trans	-60.2	-44	175.4	-179.1	61.3	0	0	0	112	Y438 I439 A444 E445 I446 V490 F509	Y438-L442 HydrophobicContact CE1-CD2 4.48Å; Y438-L442 VanDerWaalsContact O-CB 3.31Å; Y438-L442 WeakPolarHBondContact O-CB 3.41Å; Y438-L442 PolarHBondContact O-N 2.64Å; I439-L442 HydrophobicContact CD1-CD2 4.13Å; L442-A444 VanDerWaalsContact C-N 3.3Å; L442-A444 PolarHBondContact O-N 2.86Å; L442-E445 PolarHBondContact O-N 2.87Å; L442-I446 HydrophobicContact CD1-CD1 4.03Å; L442-I446 HydrophobicContact CD1-CG1 4.28Å; L442-I446 HydrophobicContact CG-CD1 3.88Å; L442-I446 VanDerWaalsContact O-CG1 3.25Å; L442-I446 WeakPolarHBondContact O-CG1 3.35Å; L442-I446 PolarHBondContact O-N 3.27Å; L442-V490 HydrophobicContact CD2-CG1 4.46Å; L442-F509 HydrophobicContact CD2-CD1 4.48Å; L442-F509 HydrophobicContact CD2-CD2 4.24Å; L442-F509 HydrophobicContact CD2-CE1 4.47Å; L442-F509 HydrophobicContact CD2-CE2 4.26Å; L442-F509 HydrophobicContact CD2-CG 4.37Å; L442-F509 HydrophobicContact CD2-CZ 4.38Å
443	A	93.4	Very high	91.8	Very high	1 Å²	1	65.3 Å²	65.3	1%	0.008	33%	0.326	C	S	.	.	H	α-helix	trans	-62.7	-36.4	176	0	0	0	0	0	112.3	I439 V440 E441 A447 Y454 V490	I439-A443 VanDerWaalsContact O-CB 3.31Å; I439-A443 WeakPolarHBondContact O-CB 3.37Å; I439-A443 PolarHBondContact O-N 3.41Å; V440-A443 PolarHBondContact O-N 3.13Å; E441-A443 PolarHBondContact O-N 3.16Å; A443-A447 VanDerWaalsContact O-CB 3.28Å; A443-A447 WeakPolarHBondContact O-CB 3.45Å; A443-A447 PolarHBondContact O-N 3.43Å; A443-Y454 HydrophobicContact CB-CE2 4.14Å; A443-V490 HydrophobicContact CB-CG1 4.48Å
444	A	93.5	Very high	91.9	Very high	38 Å²	38	62.6 Å²	62.6	31%	0.314	31%	0.308	S	S	.	.	H	α-helix	trans	-66.8	-44.2	175.8	0	0	0	0	0	112.5	V440 E441 L442 A447 K448 Y454	V440-A444 PolarHBondContact O-N 3.23Å; V440-A444 VanDerWaalsContact O-N 3.1Å; E441-A444 WeakPolarHBondContact O-CB 3.43Å; E441-A444 PolarHBondContact O-N 3.47Å; L442-A444 VanDerWaalsContact C-N 3.3Å; L442-A444 PolarHBondContact O-N 2.86Å; A444-A447 PolarHBondContact O-N 3.44Å; A444-K448 WeakPolarHBondContact O-CB 3.47Å; A444-K448 PolarHBondContact O-N 3.06Å; A444-Y454 WeakPolarHBondContact CA-OH 2.98Å; A444-Y454 WeakPolarHBondContact CB-OH 3.24Å
445	E	94.3	Very high	91.9	Very high	103 Å²	103	65.2 Å²	65.2	48%	0.481	32%	0.32	S	S	.	.	H	α-helix	trans	-69.4	-36.4	177.8	-74.1	-62.6	143.2	0	0	112.7	E441 L442 K448 H449	E441-E445 PolarHBondContact O-N 3.37Å; L442-E445 PolarHBondContact O-N 2.87Å; E445-K448 PolarHBondContact O-N 2.02Å; E445-K448 IonicContact OE1-NZ 2.71Å; E445-K448 PolarHBondContact OE1-NZ 2.96Å; E445-K448 IonicContact OE2-NZ 2.65Å; E445-K448 PolarHBondContact OE2-NZ 3.49Å; E445-H449 WeakPolarHBondContact O-CB 3.34Å; E445-H449 PolarHBondContact O-N 3.27Å
446	I	91.8	Very high	91.8	Very high	63 Å²	63	64.1 Å²	64.1	32%	0.323	32%	0.316	S	S	.	.	H	α-helix	trans	-63.2	-47.3	172.3	-63.5	164.6	0	0	0	110.4	L442 K448 H449 V450 Y452	L442-I446 HydrophobicContact CD1-CD1 4.03Å; L442-I446 HydrophobicContact CD1-CG1 4.28Å; L442-I446 HydrophobicContact CG-CD1 3.88Å; L442-I446 VanDerWaalsContact O-CG1 3.25Å; L442-I446 WeakPolarHBondContact O-CG1 3.35Å; L442-I446 PolarHBondContact O-N 3.27Å; I446-K448 VanDerWaalsContact C-N 3.3Å; I446-K448 PolarHBondContact O-N 2.92Å; I446-H449 PolarHBondContact O-N 3.47Å; I446-V450 HydrophobicContact CG2-CG2 4.42Å; I446-V450 WeakPolarHBondContact O-CG2 3.31Å; I446-V450 PolarHBondContact O-N 3.42Å; I446-Y452 HydrophobicContact CG2-CE1 4.15Å; I446-Y452 WeakPolarHBondContact CG2-OH 3.38Å
447	A	90.6	Very high	91.8	Very high	8 Å²	8	63.2 Å²	63.2	7%	0.066	31%	0.311	C	S	.	.	H	α-helix	trans	-61.6	-37.3	178	0	0	0	0	0	113	A443 A444 G451 Y452 Y454	A443-A447 VanDerWaalsContact O-CB 3.28Å; A443-A447 WeakPolarHBondContact O-CB 3.45Å; A443-A447 PolarHBondContact O-N 3.43Å; A444-A447 PolarHBondContact O-N 3.44Å; A447-G451 VanDerWaalsContact O-CA 3.29Å; A447-G451 WeakPolarHBondContact O-CA 3.35Å; A447-G451 PolarHBondContact O-N 3.45Å; A447-Y452 HydrophobicContact CB-CD2 4.33Å; A447-Y452 HydrophobicContact CB-CE1 4.31Å; A447-Y452 HydrophobicContact CB-CE2 3.96Å; A447-Y452 PolarHBondContact O-N 3.42Å; A447-Y454 HydrophobicContact CB-CD1 3.39Å; A447-Y454 HydrophobicContact CB-CE1 3.51Å; A447-Y454 HydrophobicContact CB-CG 4.41Å
448	K	91.3	Very high	91.8	Very high	145 Å²	145	64.9 Å²	64.9	63%	0.63	32%	0.317	S	S	*	.	H	α-helix	trans	-70.4	-37.4	175.6	172.2	-179.4	160.3	-136.7	0	113.2	A444 E445 I446	A444-K448 WeakPolarHBondContact O-CB 3.47Å; A444-K448 PolarHBondContact O-N 3.06Å; E445-K448 PolarHBondContact O-N 2.02Å; E445-K448 IonicContact OE1-NZ 2.71Å; E445-K448 PolarHBondContact OE1-NZ 2.96Å; E445-K448 IonicContact OE2-NZ 2.65Å; E445-K448 PolarHBondContact OE2-NZ 3.49Å; I446-K448 VanDerWaalsContact C-N 3.3Å; I446-K448 PolarHBondContact O-N 2.92Å
449	H	89.5	Confident	91.8	Very high	169 Å²	169	60.3 Å²	60.3	78%	0.782	30%	0.3	S	S	*	.	H	α-helix	trans	-76.4	-34.9	178.9	-171.4	-59.5	0	0	0	112.7	E445 I446	E445-H449 WeakPolarHBondContact O-CB 3.34Å; E445-H449 PolarHBondContact O-N 3.27Å; I446-H449 PolarHBondContact O-N 3.47Å
450	V	86.3	Confident	91.6	Very high	81 Å²	81	65 Å²	65	49%	0.491	33%	0.333	S	S	.	.	H	α-helix	trans	-91.9	-26.5	-179.3	-179.8	0	0	0	0	112.1	L404 I446 Y452	L404-V450 HydrophobicContact CD2-CG1 4.18Å; I446-V450 HydrophobicContact CG2-CG2 4.42Å; I446-V450 WeakPolarHBondContact O-CG2 3.31Å; I446-V450 PolarHBondContact O-N 3.42Å; V450-Y452 HydrophobicContact CB-CD1 3.7Å; V450-Y452 HydrophobicContact CB-CE1 3.81Å; V450-Y452 HydrophobicContact CG1-CD1 3.72Å; V450-Y452 HydrophobicContact CG1-CE1 4.11Å; V450-Y452 HydrophobicContact CG2-CE1 4.35Å
451	G	84.2	Confident	91.4	Very high	28 Å²	28	67.4 Å²	67.4	29%	0.289	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	53.2	179.1	0	0	0	0	0	113.6	L405 A447	L405-G451 VanDerWaalsContact CD2-O 3.24Å; L405-G451 WeakPolarHBondContact CD2-O 3.34Å; A447-G451 VanDerWaalsContact O-CA 3.29Å; A447-G451 WeakPolarHBondContact O-CA 3.35Å; A447-G451 PolarHBondContact O-N 3.45Å
452	Y	85	Confident	91.3	Very high	31 Å²	31	63.6 Å²	63.6	12%	0.122	34%	0.341	C	S	.	.			trans	-127.9	153.1	174	65.5	-92.7	0	0	0	112.7	Y409 I446 A447 V450 Y454	Y409-Y452 AromaticContact CD2-CD2 3.82Å; Y409-Y452 HydrophobicContact CD2-CD2 3.82Å; Y409-Y452 HydrophobicContact CD2-CG 4.15Å; Y409-Y452 HydrophobicContact CE2-CG 4.46Å; Y409-Y452 HydrophobicContact CG-CD2 4.16Å; I446-Y452 HydrophobicContact CG2-CE1 4.15Å; I446-Y452 WeakPolarHBondContact CG2-OH 3.38Å; A447-Y452 HydrophobicContact CB-CD2 4.33Å; A447-Y452 HydrophobicContact CB-CE1 4.31Å; A447-Y452 HydrophobicContact CB-CE2 3.96Å; A447-Y452 PolarHBondContact O-N 3.42Å; V450-Y452 HydrophobicContact CB-CD1 3.7Å; V450-Y452 HydrophobicContact CB-CE1 3.81Å; V450-Y452 HydrophobicContact CG1-CD1 3.72Å; V450-Y452 HydrophobicContact CG1-CE1 4.11Å; V450-Y452 HydrophobicContact CG2-CE1 4.35Å; Y452-Y454 HydrophobicContact CE2-CG 4.49Å
453	Q	87.8	Confident	91.3	Very high	113 Å²	113	66.8 Å²	66.8	53%	0.528	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	143.6	171	-64.5	-171.3	2.6	0	0	110.5	T408 Y409	T408-Q453 CarbonylContact C-O 3.58Å; T408-Q453 WeakPolarHBondContact CA-O 3.29Å; T408-Q453 HydrophobicContact CG2-CB 4.35Å; Y409-Q453 PolarHBondContact N-O 2.92Å
454	Y	91.8	Very high	91.3	Very high	43 Å²	43	70 Å²	70	17%	0.169	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	155	-180	73.5	-77.6	0	0	0	113.2	Y409 V411 N432 A443 A444 A447 Y452 L456	Y409-Y454 CarbonylContact O-C 3.16Å; Y409-Y454 VanDerWaalsContact O-CA 3.25Å; Y409-Y454 WeakPolarHBondContact O-CA 3.39Å; V411-Y454 HydrophobicContact CG2-CD2 4.15Å; V411-Y454 HydrophobicContact CG2-CG 4.45Å; N432-Y454 WeakPolarHBondContact ND2-CE2 3.43Å; N432-Y454 PolarHBondContact ND2-O 3.06Å; A443-Y454 HydrophobicContact CB-CE2 4.14Å; A444-Y454 WeakPolarHBondContact CA-OH 2.98Å; A444-Y454 WeakPolarHBondContact CB-OH 3.24Å; A447-Y454 HydrophobicContact CB-CD1 3.39Å; A447-Y454 HydrophobicContact CB-CE1 3.51Å; A447-Y454 HydrophobicContact CB-CG 4.41Å; Y452-Y454 HydrophobicContact CE2-CG 4.49Å; Y454-L456 HydrophobicContact CD2-CD2 4.3Å; Y454-L456 HydrophobicContact CD2-CG 4.22Å; Y454-L456 HydrophobicContact CE2-CD1 4.34Å; Y454-L456 HydrophobicContact CE2-CD2 4.08Å; Y454-L456 HydrophobicContact CE2-CG 3.88Å
455	K	92.9	Very high	91.3	Very high	128 Å²	128	68.4 Å²	68.4	56%	0.557	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126	119.3	174.2	-177.1	178.1	-179.8	179.9	0	109.3	T408 Y409 V411 N432	T408-K455 HydrophobicContact CG2-CB 4.09Å; Y409-K455 PolarHBondContact O-N 2.84Å; V411-K455 PolarHBondContact N-O 3.33Å; N432-K455 WeakPolarHBondContact OD1-CA 3.34Å
456	L	93.4	Very high	91.2	Very high	11 Å²	11	66 Å²	66	6%	0.058	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	133.3	172.6	-68.1	171.8	0	0	0	110.1	V411 N432 Y435 V440 Y454	V411-L456 HydrophobicContact CB-CD2 4.15Å; V411-L456 HydrophobicContact CG1-CD2 3.92Å; N432-L456 HydrophobicContact CB-CD1 4.15Å; N432-L456 HydrophobicContact CB-CG 4.48Å; N432-L456 PolarHBondContact OD1-N 3.3Å; Y435-L456 HydrophobicContact CD2-CB 4.09Å; Y435-L456 HydrophobicContact CD2-CD1 3.97Å; Y435-L456 HydrophobicContact CE2-CB 4.2Å; V440-L456 HydrophobicContact CG1-CD1 4.03Å; V440-L456 HydrophobicContact CG2-CD1 4.45Å; Y454-L456 HydrophobicContact CD2-CD2 4.3Å; Y454-L456 HydrophobicContact CD2-CG 4.22Å; Y454-L456 HydrophobicContact CE2-CD1 4.34Å; Y454-L456 HydrophobicContact CE2-CD2 4.08Å; Y454-L456 HydrophobicContact CE2-CG 3.88Å
457	K	93.8	Very high	91.1	Very high	59 Å²	59	67.9 Å²	67.9	26%	0.257	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.1	175.8	177.4	-175.8	168	-125.2	0	108.2	I410 V411 T412 T413 E480	I410-K457 HydrophobicContact CG2-CB 4.05Å; I410-K457 HydrophobicContact CG2-CD 3.82Å; V411-K457 PolarHBondContact O-N 2.66Å; T412-K457 CarbonylContact C-O 3.59Å; T412-K457 WeakPolarHBondContact CA-O 3.23Å; T413-K457 PolarHBondContact N-O 3.35Å; K457-E480 IonicContact NZ-OE1 3.84Å; K457-E480 PolarHBondContact NZ-OE1 2.8Å; K457-E480 IonicContact NZ-OE2 2.62Å; K457-E480 PolarHBondContact NZ-OE2 2.94Å
458	I	94.7	Very high	91	Very high	45 Å²	45	70 Å²	70	23%	0.231	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	135.2	170.5	-53.6	-52.8	0	0	0	109.1	T413 L415 Y435 S460	T413-I458 HydrophobicContact CG2-CD1 3.77Å; T413-I458 CarbonylContact O-C 3.54Å; T413-I458 WeakPolarHBondContact O-CA 3.36Å; L415-I458 HydrophobicContact CD1-CG1 4.47Å; L415-I458 HydrophobicContact CD1-CG2 4.37Å; L415-I458 HydrophobicContact CD2-CD1 3.64Å; L415-I458 HydrophobicContact CD2-CG1 4.21Å; L415-I458 HydrophobicContact CG-CD1 3.91Å; L415-I458 HydrophobicContact CG-CG1 4.17Å; L415-I458 HydrophobicContact CG-CG2 4.1Å; Y435-I458 HydrophobicContact CD1-CD1 4.4Å; Y435-I458 HydrophobicContact CE1-CD1 3.84Å; Y435-I458 HydrophobicContact CE1-CG1 3.98Å; I458-S460 PolarHBondContact O-N 3.04Å
459	V	95.7	Very high	90.7	Very high	6 Å²	6	68.3 Å²	68.3	4%	0.036	37%	0.37	C	S	.	.			trans	-54.7	131.5	178.6	61.4	0	0	0	0	111.7	T413 I414 D461 G462 M477 E480	T413-V459 PolarHBondContact O-N 3.28Å; I414-V459 HydrophobicContact CB-CG1 4.13Å; I414-V459 HydrophobicContact CD1-CG1 4.49Å; I414-V459 HydrophobicContact CG1-CG1 4.17Å; V459-D461 VanDerWaalsContact C-N 3.28Å; V459-D461 PolarHBondContact O-N 2.56Å; V459-D461 VanDerWaalsContact O-N 3.16Å; V459-G462 PolarHBondContact O-N 3.4Å; V459-M477 HydrophobicContact CB-CG 3.68Å; V459-M477 HydrophobicContact CG1-CG 4.12Å; V459-M477 HydrophobicContact CG2-CG 3.76Å; V459-E480 HydrophobicContact CG2-CG 4.33Å
460	S	89.8	Confident	90.5	Very high	101 Å²	101	68.9 Å²	68.9	71%	0.706	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.3	-166.1	-62	0	0	0	0	116.1	I458 E480	I458-S460 PolarHBondContact O-N 3.04Å; S460-E480 WeakPolarHBondContact CB-OE1 3.33Å; S460-E480 PolarHBondContact N-OE1 3Å; S460-E480 PolarHBondContact OG-OE1 2.9Å; S460-E480 VanDerWaalsContact OG-OE1 3.04Å
461	D	90.9	Very high	90	Very high	69 Å²	69	67.8 Å²	67.8	37%	0.369	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	4.4	-177.4	70.8	-6.2	0	0	0	114.2	V459 K463 N475 G476	V459-D461 VanDerWaalsContact C-N 3.28Å; V459-D461 PolarHBondContact O-N 2.56Å; V459-D461 VanDerWaalsContact O-N 3.16Å; D461-K463 VanDerWaalsContact C-N 3.32Å; D461-K463 PolarHBondContact O-N 3.04Å; D461-K463 WeakPolarHBondContact OD1-CB 3.4Å; D461-K463 PolarHBondContact OD1-N 2.9Å; D461-N475 WeakPolarHBondContact OD2-CB 3.21Å; D461-G476 VanDerWaalsContact OD1-CA 3.29Å; D461-G476 WeakPolarHBondContact OD1-CA 3.22Å; D461-G476 PolarHBondContact OD2-N 3.22Å
462	G	92.7	Very high	89.9	Confident	51 Å²	51	71.4 Å²	71.4	53%	0.526	38%	0.377	S	S	.	.	S	Bend	trans	68.7	18.5	-178.1	0	0	0	0	0	115.6	I414 V459	I414-G462 WeakPolarHBondContact CD1-O 3.33Å; V459-G462 PolarHBondContact O-N 3.4Å
463	K	94.3	Very high	89.7	Confident	110 Å²	110	71.6 Å²	71.6	48%	0.478	38%	0.378	S	S	.	.			trans	-115.6	150.5	-174.7	-64.9	171.2	-174.1	173.6	0	113.5	D461 G476 M477	D461-K463 VanDerWaalsContact C-N 3.32Å; D461-K463 PolarHBondContact O-N 3.04Å; D461-K463 WeakPolarHBondContact OD1-CB 3.4Å; D461-K463 PolarHBondContact OD1-N 2.9Å; K463-G476 CarbonylContact O-C 3.58Å; K463-G476 WeakPolarHBondContact O-CA 3.36Å; K463-M477 PolarHBondContact O-N 3.08Å; K463-M477 VanDerWaalsContact O-N 3.1Å
464	Y	93.6	Very high	89.8	Confident	68 Å²	68	67 Å²	67	27%	0.267	36%	0.356	S	S	.	.			trans	-63.5	-44.9	170	-71	-82.4	0	0	0	112.6	I414 E416 M477 V478 P492 L493	I414-Y464 HydrophobicContact CD1-CD2 4.41Å; I414-Y464 HydrophobicContact CD1-CE2 4.2Å; I414-Y464 HydrophobicContact CG2-CE1 4.07Å; E416-Y464 PolarHBondContact OE1-OH 3.31Å; E416-Y464 PolarHBondContact OE2-OH 3.21Å; Y464-M477 HydrophobicContact CD1-CE 3.57Å; Y464-M477 HydrophobicContact CE1-CE 4.15Å; Y464-M477 HydrophobicContact CG-CE 4.25Å; Y464-M477 PolarHBondContact O-N 3.33Å; Y464-M477 VanDerWaalsContact O-N 3.08Å; Y464-V478 PolarHBondContact O-N 3.19Å; Y464-P492 HydrophobicContact CE1-CG 4.19Å; Y464-P492 WeakPolarHBondContact CE1-O 3.29Å; Y464-L493 HydrophobicContact CD1-CD1 4.04Å
465	G	93.6	Very high	89.8	Confident	5 Å²	5	67 Å²	67	5%	0.052	36%	0.359	C	S	.	.			trans	125	122.8	179.9	0	0	0	0	0	112.3	N475 R499	G465-N475 WeakPolarHBondContact CA-O 3.44Å; G465-N475 WeakPolarHBondContact CA-OD1 3.43Å; G465-R499 PolarHBondContact O-NE 3.45Å; G465-R499 PolarHBondContact O-NH2 3.48Å
466	A	92.4	Very high	89.9	Confident	52 Å²	52	61.1 Å²	61.1	43%	0.43	34%	0.335	S	S	.	.			trans	-136.9	156.4	174.8	0	0	0	0	0	109.4	N475	A466-N475 PolarHBondContact N-OD1 2.74Å; A466-N475 PolarHBondContact O-N 2.99Å; A466-N475 PolarHBondContact O-OD1 2.79Å
467	K	90.1	Very high	90	Very high	103 Å²	103	60.6 Å²	60.6	45%	0.448	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-82.1	123.9	173.1	-154.6	-174.9	-164.8	-168.5	0	109.4	Q472 K473 W474	K467-Q472 VanDerWaalsContact CE-O 3.22Å; K467-Q472 WeakPolarHBondContact CE-O 3.29Å; K467-K473 CarbonylContact C-O 3.48Å; K467-K473 WeakPolarHBondContact CA-O 3.46Å; K467-W474 HydrophobicContact CB-CD2 4.32Å; K467-W474 HydrophobicContact CB-CE3 4.47Å; K467-W474 HydrophobicContact CB-CH2 4.13Å; K467-W474 HydrophobicContact CB-CZ2 3.93Å; K467-W474 HydrophobicContact CB-CZ3 4.4Å; K467-W474 HydrophobicContact CD-CZ2 4.45Å; K467-W474 HydrophobicContact CG-CZ2 4.31Å
468	D	88.3	Confident	90	Very high	53 Å²	53	57.8 Å²	57.8	28%	0.283	32%	0.32	S	S	.	.			trans	-66.1	126.8	170	175.5	-23.5	0	0	0	109.4	E470 T471 Q472 K473	D468-E470 PolarHBondContact OD1-N 3.24Å; D468-T471 WeakPolarHBondContact CB-OG1 3.29Å; D468-T471 PolarHBondContact OD1-N 3.04Å; D468-T471 WeakPolarHBondContact OD2-CB 3.46Å; D468-T471 WeakPolarHBondContact OD2-CG2 3.43Å; D468-T471 PolarHBondContact OD2-OG1 2.89Å; D468-Q472 WeakPolarHBondContact O-CA 3.34Å; D468-Q472 PolarHBondContact O-N 3.31Å; D468-K473 PolarHBondContact N-O 3.09Å
469	P	84.8	Confident	89.9	Confident	108 Å²	108	55.9 Å²	55.9	70%	0.701	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-32.6	-177.3	28.9	-34.9	0	0	0	113.5	Q472	P469-Q472 PolarHBondContact O-NE2 3.38Å
470	E	83.7	Confident	89.7	Confident	181 Å²	181	56 Å²	56	85%	0.846	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-47.7	-179.5	-66.9	-174.4	-175.2	0	0	111.1	D468	D468-E470 PolarHBondContact OD1-N 3.24Å
471	T	77.3	Confident	89.8	Confident	59 Å²	59	53 Å²	53	36%	0.362	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-6.2	-174	75.3	0	0	0	0	113.9	D468 K473	D468-T471 WeakPolarHBondContact CB-OG1 3.29Å; D468-T471 PolarHBondContact OD1-N 3.04Å; D468-T471 WeakPolarHBondContact OD2-CB 3.46Å; D468-T471 WeakPolarHBondContact OD2-CG2 3.43Å; D468-T471 PolarHBondContact OD2-OG1 2.89Å; T471-K473 WeakPolarHBondContact O-CE 3.32Å; T471-K473 WeakPolarHBondContact O-CG 3.23Å; T471-K473 PolarHBondContact O-N 2.95Å; T471-K473 VanDerWaalsContact O-N 3.15Å; T471-K473 WeakPolarHBondContact OG1-CD 3.42Å
472	Q	80.9	Confident	89.7	Confident	104 Å²	104	52.1 Å²	52.1	49%	0.486	28%	0.283	S	S	.	.			trans	56.7	20.9	-177.6	-65.9	-67.3	-50.5	0	0	114.5	K467 D468 P469	K467-Q472 VanDerWaalsContact CE-O 3.22Å; K467-Q472 WeakPolarHBondContact CE-O 3.29Å; D468-Q472 WeakPolarHBondContact O-CA 3.34Å; D468-Q472 PolarHBondContact O-N 3.31Å; P469-Q472 PolarHBondContact O-NE2 3.38Å
473	K	81.9	Confident	89.3	Confident	34 Å²	34	51.9 Å²	51.9	15%	0.148	27%	0.267	C	S	.	.			trans	-99.8	151	-174.1	-74.8	158.1	-158.4	-68.6	0	113.4	K195 W196 K467 D468 T471	K195-K473 WeakPolarHBondContact O-CE 3.17Å; K195-K473 PolarHBondContact O-NZ 3.4Å; W196-K473 VanDerWaalsContact CA-NZ 3.28Å; W196-K473 PolarHBondContact O-NZ 2.83Å; K467-K473 CarbonylContact C-O 3.48Å; K467-K473 WeakPolarHBondContact CA-O 3.46Å; D468-K473 PolarHBondContact N-O 3.09Å; T471-K473 WeakPolarHBondContact O-CE 3.32Å; T471-K473 WeakPolarHBondContact O-CG 3.23Å; T471-K473 PolarHBondContact O-N 2.95Å; T471-K473 VanDerWaalsContact O-N 3.15Å; T471-K473 WeakPolarHBondContact OG1-CD 3.42Å
474	W	90.1	Very high	88.7	Confident	16 Å²	16	52.7 Å²	52.7	6%	0.061	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-83.1	140.2	168	-67.6	96.1	0	0	0	111.9	K197 K467 V478 V498 R499 V502	K197-W474 PolarHBondContact NZ-O 3.49Å; K467-W474 HydrophobicContact CB-CD2 4.32Å; K467-W474 HydrophobicContact CB-CE3 4.47Å; K467-W474 HydrophobicContact CB-CH2 4.13Å; K467-W474 HydrophobicContact CB-CZ2 3.93Å; K467-W474 HydrophobicContact CB-CZ3 4.4Å; K467-W474 HydrophobicContact CD-CZ2 4.45Å; K467-W474 HydrophobicContact CG-CZ2 4.31Å; W474-V478 HydrophobicContact CB-CG1 4.37Å; W474-V478 HydrophobicContact CD2-CB 4.49Å; W474-V478 HydrophobicContact CD2-CG1 3.72Å; W474-V478 HydrophobicContact CE3-CB 3.94Å; W474-V478 HydrophobicContact CE3-CG1 3.53Å; W474-V478 HydrophobicContact CG-CG1 4.07Å; W474-V478 HydrophobicContact CZ3-CG1 4.08Å; W474-V498 HydrophobicContact CH2-CB 4.39Å; W474-V498 HydrophobicContact CH2-CG2 4.27Å; W474-V498 VanDerWaalsContact CH2-O 3.23Å; W474-V498 WeakPolarHBondContact CH2-O 3.47Å; W474-V498 WeakPolarHBondContact CZ2-O 3.19Å; W474-R499 HydrophobicContact CH2-CG 4.09Å; W474-R499 HydrophobicContact CZ3-CG 4.1Å; W474-V502 HydrophobicContact CD2-CG2 4.38Å; W474-V502 HydrophobicContact CZ2-CG2 3.92Å
475	N	91.9	Very high	88.2	Confident	45 Å²	45	54.7 Å²	54.7	24%	0.241	29%	0.287	C	S	.	.			trans	-112.5	-174.1	166	63.4	37.3	0	0	0	109.8	D461 G465 A466 G479	D461-N475 WeakPolarHBondContact OD2-CB 3.21Å; G465-N475 WeakPolarHBondContact CA-O 3.44Å; G465-N475 WeakPolarHBondContact CA-OD1 3.43Å; A466-N475 PolarHBondContact N-OD1 2.74Å; A466-N475 PolarHBondContact O-N 2.99Å; A466-N475 PolarHBondContact O-OD1 2.79Å; N475-G479 PolarHBondContact O-N 3.29Å
476	G	94.1	Very high	88.1	Confident	4 Å²	4	54.7 Å²	54.7	4%	0.041	29%	0.286	C	S	.	.	H	α-helix	trans	60.5	-162.5	177.7	0	0	0	0	0	115.6	D461 K463 V478 G479 E480	D461-G476 VanDerWaalsContact OD1-CA 3.29Å; D461-G476 WeakPolarHBondContact OD1-CA 3.22Å; D461-G476 PolarHBondContact OD2-N 3.22Å; K463-G476 CarbonylContact O-C 3.58Å; K463-G476 WeakPolarHBondContact O-CA 3.36Å; G476-V478 VanDerWaalsContact C-N 3.3Å; G476-V478 PolarHBondContact O-N 3.17Å; G476-G479 CarbonylContact O-C 3.59Å; G476-G479 WeakPolarHBondContact O-CA 3.31Å; G476-G479 PolarHBondContact O-N 2.88Å; G476-E480 PolarHBondContact O-N 3.45Å
477	M	95.7	Very high	88	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.4	-38.5	179.9	-67	178.9	-75.3	0	0	112.3	T412 I414 V459 K463 Y464 G479 E480 L481 A491	T412-M477 HydrophobicContact CG2-CB 4.05Å; T412-M477 HydrophobicContact CG2-CG 4.08Å; I414-M477 HydrophobicContact CB-CE 3.91Å; I414-M477 HydrophobicContact CB-SD 4.17Å; I414-M477 HydrophobicContact CG2-CE 3.72Å; I414-M477 HydrophobicContact CG2-SD 4.32Å; V459-M477 HydrophobicContact CB-CG 3.68Å; V459-M477 HydrophobicContact CG1-CG 4.12Å; V459-M477 HydrophobicContact CG2-CG 3.76Å; K463-M477 PolarHBondContact O-N 3.08Å; K463-M477 VanDerWaalsContact O-N 3.1Å; Y464-M477 HydrophobicContact CD1-CE 3.57Å; Y464-M477 HydrophobicContact CE1-CE 4.15Å; Y464-M477 HydrophobicContact CG-CE 4.25Å; Y464-M477 PolarHBondContact O-N 3.33Å; Y464-M477 VanDerWaalsContact O-N 3.08Å; M477-G479 VanDerWaalsContact C-N 3.3Å; M477-G479 PolarHBondContact O-N 3.34Å; M477-E480 PolarHBondContact O-N 3.35Å; M477-L481 PolarHBondContact O-N 3Å; M477-L481 VanDerWaalsContact O-N 3.09Å; M477-A491 HydrophobicContact CE-CB 3.73Å; M477-A491 HydrophobicContact SD-CB 3.5Å; M477-A491 WeakPolarHBondContact SD-CB 3.35Å
478	V	94.8	Very high	88.1	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-57.9	-44.6	173	-177.5	0	0	0	0	110.7	Y464 W474 G476 E480 L481 V482 L493 R499 V502 I503	Y464-V478 PolarHBondContact O-N 3.19Å; W474-V478 HydrophobicContact CB-CG1 4.37Å; W474-V478 HydrophobicContact CD2-CB 4.49Å; W474-V478 HydrophobicContact CD2-CG1 3.72Å; W474-V478 HydrophobicContact CE3-CB 3.94Å; W474-V478 HydrophobicContact CE3-CG1 3.53Å; W474-V478 HydrophobicContact CG-CG1 4.07Å; W474-V478 HydrophobicContact CZ3-CG1 4.08Å; G476-V478 VanDerWaalsContact C-N 3.3Å; G476-V478 PolarHBondContact O-N 3.17Å; V478-E480 VanDerWaalsContact C-N 3.33Å; V478-E480 PolarHBondContact O-N 3.44Å; V478-L481 PolarHBondContact O-N 2.89Å; V478-V482 HydrophobicContact CG1-CG2 4.22Å; V478-V482 WeakPolarHBondContact O-CB 2.97Å; V478-V482 VanDerWaalsContact O-CG2 3.28Å; V478-V482 WeakPolarHBondContact O-CG2 3.3Å; V478-V482 PolarHBondContact O-N 3.22Å; V478-L493 HydrophobicContact CG2-CD1 4.38Å; V478-L493 HydrophobicContact CG2-CD2 4.28Å; V478-R499 HydrophobicContact CG2-CG 4.13Å; V478-V502 HydrophobicContact CG1-CG2 3.99Å; V478-I503 HydrophobicContact CB-CD1 4.43Å; V478-I503 HydrophobicContact CG1-CD1 4.08Å; V478-I503 HydrophobicContact CG1-CG1 4.34Å; V478-I503 HydrophobicContact CG2-CD1 4.02Å
479	G	91.4	Very high	88.4	Confident	4 Å²	4	51.5 Å²	51.5	4%	0.041	27%	0.27	C	S	.	.	H	α-helix	trans	-67.2	-28.1	174	0	0	0	0	0	113.9	N475 G476 M477 L481 Y483	N475-G479 PolarHBondContact O-N 3.29Å; G476-G479 CarbonylContact O-C 3.59Å; G476-G479 WeakPolarHBondContact O-CA 3.31Å; G476-G479 PolarHBondContact O-N 2.88Å; M477-G479 VanDerWaalsContact C-N 3.3Å; M477-G479 PolarHBondContact O-N 3.34Å; G479-L481 VanDerWaalsContact C-N 3.34Å; G479-Y483 WeakPolarHBondContact O-CD2 3.08Å; G479-Y483 PolarHBondContact O-N 2.97Å
480	E	92.5	Very high	88.9	Confident	10 Å²	10	47 Å²	47	5%	0.047	24%	0.24	C	C	.	.	H	α-helix	trans	-71.9	-28.3	173.7	-65.8	-159.8	161.1	0	0	113	T412 K457 V459 S460 G476 M477 V478 K485 A486	T412-E480 WeakPolarHBondContact CB-OE2 3.09Å; T412-E480 HydrophobicContact CG2-CB 4.33Å; T412-E480 PolarHBondContact OG1-OE2 2.89Å; K457-E480 IonicContact NZ-OE1 3.84Å; K457-E480 PolarHBondContact NZ-OE1 2.8Å; K457-E480 IonicContact NZ-OE2 2.62Å; K457-E480 PolarHBondContact NZ-OE2 2.94Å; V459-E480 HydrophobicContact CG2-CG 4.33Å; S460-E480 WeakPolarHBondContact CB-OE1 3.33Å; S460-E480 PolarHBondContact N-OE1 3Å; S460-E480 PolarHBondContact OG-OE1 2.9Å; S460-E480 VanDerWaalsContact OG-OE1 3.04Å; G476-E480 PolarHBondContact O-N 3.45Å; M477-E480 PolarHBondContact O-N 3.35Å; V478-E480 VanDerWaalsContact C-N 3.33Å; V478-E480 PolarHBondContact O-N 3.44Å; E480-K485 HydrophobicContact CB-CB 4.18Å; E480-K485 HydrophobicContact CG-CB 4.46Å; E480-K485 CarbonylContact O-C 3.54Å; E480-K485 WeakPolarHBondContact O-CA 3.41Å; E480-K485 WeakPolarHBondContact O-CB 3.33Å; E480-K485 PolarHBondContact O-N 2.97Å; E480-A486 HydrophobicContact CB-CB 4.23Å; E480-A486 PolarHBondContact O-N 2.88Å; E480-A486 VanDerWaalsContact O-N 3.11Å
481	L	91.8	Very high	89.4	Confident	37 Å²	37	38.9 Å²	38.9	19%	0.194	20%	0.204	C	C	.	.	H	α-helix	trans	-76.7	-52.1	171.2	-63.2	179.8	0	0	0	112	M477 V478 G479 Y483 D484 A486 A489 I503	M477-L481 PolarHBondContact O-N 3Å; M477-L481 VanDerWaalsContact O-N 3.09Å; V478-L481 PolarHBondContact O-N 2.89Å; G479-L481 VanDerWaalsContact C-N 3.34Å; L481-Y483 PolarHBondContact O-N 2.91Å; L481-D484 PolarHBondContact O-N 3.33Å; L481-A486 HydrophobicContact CD2-CB 4.31Å; L481-A489 HydrophobicContact CD1-CB 3.84Å; L481-A489 HydrophobicContact CD2-CB 4.35Å; L481-A489 HydrophobicContact CG-CB 4.28Å; L481-I503 HydrophobicContact CB-CG2 3.86Å; L481-I503 HydrophobicContact CD1-CB 4.5Å; L481-I503 HydrophobicContact CD1-CD1 4.01Å; L481-I503 HydrophobicContact CD1-CG2 4.09Å
482	V	87.9	Confident	90.2	Very high	50 Å²	50	37.1 Å²	37.1	30%	0.303	19%	0.194	S	C	.	.	H	α-helix	trans	-61.1	-15.2	-175.8	172	0	0	0	0	113.8	V478 V502 I503	V478-V482 HydrophobicContact CG1-CG2 4.22Å; V478-V482 WeakPolarHBondContact O-CB 2.97Å; V478-V482 VanDerWaalsContact O-CG2 3.28Å; V478-V482 WeakPolarHBondContact O-CG2 3.3Å; V478-V482 PolarHBondContact O-N 3.22Å; V482-V502 HydrophobicContact CG2-CB 4.09Å; V482-V502 HydrophobicContact CG2-CG2 4.09Å; V482-I503 HydrophobicContact CG2-CG2 3.76Å
483	Y	84.5	Confident	90.9	Very high	47 Å²	47	33.5 Å²	33.5	18%	0.184	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	26.8	177.2	-51.5	-59.2	0	0	0	113.2	K197 S226 G479 L481 K485	K197-Y483 HydrophobicContact CB-CD1 4.03Å; K197-Y483 HydrophobicContact CB-CE1 3.87Å; K197-Y483 HydrophobicContact CB-CG 4.43Å; K197-Y483 HydrophobicContact CD-CD1 4.41Å; K197-Y483 HydrophobicContact CD-CD2 3.61Å; K197-Y483 HydrophobicContact CD-CE1 4.12Å; K197-Y483 HydrophobicContact CD-CE2 3.29Å; K197-Y483 HydrophobicContact CD-CG 4.21Å; S226-Y483 WeakPolarHBondContact CB-O 3.44Å; G479-Y483 WeakPolarHBondContact O-CD2 3.08Å; G479-Y483 PolarHBondContact O-N 2.97Å; L481-Y483 PolarHBondContact O-N 2.91Å; Y483-K485 WeakPolarHBondContact O-CG 3.48Å; Y483-K485 PolarHBondContact O-N 2.83Å; Y483-K485 VanDerWaalsContact O-N 3.1Å
484	D	81.4	Confident	91.4	Very high	126 Å²	126	35.8 Å²	35.8	67%	0.674	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	36.2	175.1	-71.7	-56.9	0	0	0	115	L481	L481-D484 PolarHBondContact O-N 3.33Å
485	K	84.3	Confident	91.6	Very high	110 Å²	110	38 Å²	38	48%	0.478	21%	0.207	S	C	.	.	S	Bend	trans	-94.4	-8.8	176.8	-53.8	-165.2	175.9	-167.1	0	113.4	E480 Y483	E480-K485 HydrophobicContact CB-CB 4.18Å; E480-K485 HydrophobicContact CG-CB 4.46Å; E480-K485 CarbonylContact O-C 3.54Å; E480-K485 WeakPolarHBondContact O-CA 3.41Å; E480-K485 WeakPolarHBondContact O-CB 3.33Å; E480-K485 PolarHBondContact O-N 2.97Å; Y483-K485 WeakPolarHBondContact O-CG 3.48Å; Y483-K485 PolarHBondContact O-N 2.83Å; Y483-K485 VanDerWaalsContact O-N 3.1Å
486	A	90.1	Very high	91.6	Very high	5 Å²	5	38.4 Å²	38.4	4%	0.041	21%	0.211	C	C	.	.			trans	-150	143.1	172.3	0	0	0	0	0	108.6	I410 T412 E480 L481	I410-A486 HydrophobicContact CG2-CB 4.18Å; T412-A486 HydrophobicContact CG2-CB 3.67Å; E480-A486 HydrophobicContact CB-CB 4.23Å; E480-A486 PolarHBondContact O-N 2.88Å; E480-A486 VanDerWaalsContact O-N 3.11Å; L481-A486 HydrophobicContact CD2-CB 4.31Å
487	D	89.8	Confident	91.5	Very high	53 Å²	53	44.1 Å²	44.1	28%	0.283	24%	0.24	S	C	.	.	S	Bend	trans	-83.1	-21.2	179.8	-53.2	-104	0	0	0	112.3	R407 Y409 I410	R407-D487 IonicContact CZ-OD1 2.7Å; R407-D487 VanDerWaalsContact CZ-OD1 3.3Å; R407-D487 IonicContact NE-OD1 2.71Å; R407-D487 PolarHBondContact NE-OD1 3.44Å; R407-D487 IonicContact NH2-OD1 3.63Å; R407-D487 PolarHBondContact NH2-OD1 3.25Å; Y409-D487 HydrophobicContact CD1-CB 3.65Å; Y409-D487 HydrophobicContact CG-CB 4.41Å; I410-D487 WeakPolarHBondContact CB-OD2 3.49Å; I410-D487 PolarHBondContact N-OD2 3.46Å; I410-D487 PolarHBondContact O-N 2.88Å
488	L	92.4	Very high	91.4	Very high	64 Å²	64	47.9 Å²	47.9	34%	0.335	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	148	-177.8	-179.7	63.4	0	0	0	110.2	I410 V411 T412 V490	I410-L488 PolarHBondContact O-N 3.42Å; V411-L488 CarbonylContact C-O 3.53Å; V411-L488 WeakPolarHBondContact CA-O 3.42Å; V411-L488 HydrophobicContact CG2-CB 4.39Å; V411-L488 HydrophobicContact CG2-CD2 4.38Å; T412-L488 PolarHBondContact N-O 2.82Å; L488-V490 HydrophobicContact CD2-CG2 3.65Å; L488-V490 HydrophobicContact CG-CG2 3.86Å
489	A	95.4	Very high	91.4	Very high	25 Å²	25	49.5 Å²	49.5	21%	0.207	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.1	166.7	0	0	0	0	0	109.8	T412 L481	T412-A489 HydrophobicContact CG2-CB 3.69Å; T412-A489 WeakPolarHBondContact O-CA 3.39Å; L481-A489 HydrophobicContact CD1-CB 3.84Å; L481-A489 HydrophobicContact CD2-CB 4.35Å; L481-A489 HydrophobicContact CG-CB 4.28Å
490	V	94.9	Very high	91.5	Very high	13 Å²	13	54.8 Å²	54.8	8%	0.079	29%	0.293	C	S	.	.			trans	-120.8	105.7	171.2	-166.3	0	0	0	0	106.8	V411 T412 T413 I439 L442 A443 L488	V411-V490 HydrophobicContact CG1-CB 3.97Å; V411-V490 HydrophobicContact CG1-CG2 3.74Å; T412-V490 PolarHBondContact O-N 3.5Å; T413-V490 VanDerWaalsContact CB-O 3.26Å; T413-V490 WeakPolarHBondContact CB-O 3.44Å; T413-V490 PolarHBondContact OG1-O 2.67Å; I439-V490 HydrophobicContact CD1-CG1 4.34Å; I439-V490 HydrophobicContact CG2-CB 4.38Å; I439-V490 HydrophobicContact CG2-CG1 4.05Å; I439-V490 WeakPolarHBondContact CG2-O 3.21Å; L442-V490 HydrophobicContact CD2-CG1 4.46Å; A443-V490 HydrophobicContact CB-CG1 4.48Å; L488-V490 HydrophobicContact CD2-CG2 3.65Å; L488-V490 HydrophobicContact CG-CG2 3.86Å
491	A	95	Very high	91.3	Very high	10 Å²	10	60.6 Å²	60.6	8%	0.083	32%	0.32	C	S	.	.	S	Bend	trans	-164.5	166.1	-167.7	0	0	0	0	0	110.3	I414 M477 L493	I414-A491 HydrophobicContact CG2-CB 4.5Å; M477-A491 HydrophobicContact CE-CB 3.73Å; M477-A491 HydrophobicContact SD-CB 3.5Å; M477-A491 WeakPolarHBondContact SD-CB 3.35Å; A491-L493 PolarHBondContact O-N 3.19Å
492	P	93.7	Very high	91.2	Very high	22 Å²	22	61.7 Å²	61.7	14%	0.143	33%	0.328	C	S	.	.			trans	-72.9	53.8	170.1	30.6	-34.4	0	0	0	112.3	I414 E416 Y419 Y464	I414-P492 HydrophobicContact CG2-CG 4.49Å; E416-P492 WeakPolarHBondContact OE2-CG 3.06Å; Y419-P492 HydrophobicContact CD1-CB 4.29Å; Y419-P492 HydrophobicContact CD2-CB 3.95Å; Y419-P492 HydrophobicContact CD2-CG 3.66Å; Y419-P492 HydrophobicContact CE1-CB 4.25Å; Y419-P492 HydrophobicContact CE2-CB 3.89Å; Y419-P492 HydrophobicContact CE2-CG 4.06Å; Y419-P492 HydrophobicContact CG-CB 4.14Å; Y419-P492 HydrophobicContact CG-CG 3.9Å; Y464-P492 HydrophobicContact CE1-CG 4.19Å; Y464-P492 WeakPolarHBondContact CE1-O 3.29Å
493	L	94.5	Very high	91.5	Very high	28 Å²	28	60.3 Å²	60.3	15%	0.147	32%	0.318	C	S	.	.			trans	-86.4	111.9	-176.8	-176.3	65.8	0	0	0	111.1	Y464 V478 A491 I495 I503 F505	Y464-L493 HydrophobicContact CD1-CD1 4.04Å; V478-L493 HydrophobicContact CG2-CD1 4.38Å; V478-L493 HydrophobicContact CG2-CD2 4.28Å; A491-L493 PolarHBondContact O-N 3.19Å; L493-I495 PolarHBondContact O-N 2.95Å; L493-I503 HydrophobicContact CD2-CD1 4.27Å; L493-F505 HydrophobicContact CD2-CE1 3.98Å; L493-F505 HydrophobicContact CD2-CZ 4.14Å; L493-F505 HydrophobicContact CG-CE1 4.27Å
494	T	93.6	Very high	91.9	Very high	82 Å²	82	66 Å²	66	50%	0.503	35%	0.352	S	S	.	.			trans	-62.9	127.1	175.9	-36.4	0	0	0	0	111.5	T496 R499	T494-T496 HydrophobicContact CG2-CG2 4.44Å; T494-R499 PolarHBondContact O-NH1 3.47Å
495	I	93.8	Very high	92.5	Very high	64 Å²	64	62.7 Å²	62.7	33%	0.328	33%	0.332	S	S	.	.			trans	-67.2	128.4	170.5	-47.3	-177.6	0	0	0	108.4	L493 F505 P508	L493-I495 PolarHBondContact O-N 2.95Å; I495-F505 HydrophobicContact CB-CD1 4.38Å; I495-F505 HydrophobicContact CB-CE1 4.49Å; I495-F505 HydrophobicContact CD1-CB 4.24Å; I495-F505 HydrophobicContact CD1-CD1 4.26Å; I495-F505 HydrophobicContact CD1-CG 4.42Å; I495-F505 HydrophobicContact CG1-CB 4.48Å; I495-F505 HydrophobicContact CG1-CD1 3.69Å; I495-F505 HydrophobicContact CG1-CE1 4.06Å; I495-F505 HydrophobicContact CG1-CG 4.12Å; I495-F505 HydrophobicContact CG2-CB 4.37Å; I495-F505 HydrophobicContact CG2-CD1 4.32Å; I495-F505 HydrophobicContact CG2-CD2 4Å; I495-F505 HydrophobicContact CG2-CE2 4.34Å; I495-F505 HydrophobicContact CG2-CG 3.98Å; I495-P508 HydrophobicContact CD1-CB 4.15Å
496	T	93.1	Very high	93	Very high	53 Å²	53	61.9 Å²	61.9	33%	0.325	34%	0.34	S	S	.	.			trans	-144.9	148.9	174.9	62.7	0	0	0	0	109.8	T494 V498 R499 E500	T494-T496 HydrophobicContact CG2-CG2 4.44Å; T496-V498 VanDerWaalsContact C-N 3.32Å; T496-V498 PolarHBondContact O-N 3.17Å; T496-R499 WeakPolarHBondContact O-CA 3.36Å; T496-R499 WeakPolarHBondContact O-CB 3.37Å; T496-R499 PolarHBondContact O-N 2.97Å; T496-R499 WeakPolarHBondContact OG1-CG 3.25Å; T496-E500 PolarHBondContact O-N 3.5Å
497	L	91.8	Very high	93.1	Very high	124 Å²	124	70.7 Å²	70.7	65%	0.649	38%	0.378	S	S	*	.	H	α-helix	trans	-48.9	-50.2	-176.8	-178.9	65.4	0	0	0	112.8	R499 E500 E501	L497-R499 PolarHBondContact O-N 3.48Å; L497-R499 VanDerWaalsContact O-N 3.1Å; L497-E500 WeakPolarHBondContact O-CB 3.37Å; L497-E500 PolarHBondContact O-N 2.94Å; L497-E501 WeakPolarHBondContact O-CG 3.4Å; L497-E501 PolarHBondContact O-N 3.12Å
498	V	93.6	Very high	93.2	Very high	79 Å²	79	72.2 Å²	72.2	48%	0.479	39%	0.39	S	S	.	.	H	α-helix	trans	-64.1	-15.7	179.4	-62.8	0	0	0	0	114.6	W474 T496	W474-V498 HydrophobicContact CH2-CB 4.39Å; W474-V498 HydrophobicContact CH2-CG2 4.27Å; W474-V498 VanDerWaalsContact CH2-O 3.23Å; W474-V498 WeakPolarHBondContact CH2-O 3.47Å; W474-V498 WeakPolarHBondContact CZ2-O 3.19Å; T496-V498 VanDerWaalsContact C-N 3.32Å; T496-V498 PolarHBondContact O-N 3.17Å
499	R	94.4	Very high	93.2	Very high	33 Å²	33	74.3 Å²	74.3	13%	0.125	40%	0.397	C	S	.	.	H	α-helix	trans	-91.4	-39.6	170.9	-68.3	176.4	173.8	152.5	-0.3	110.9	G465 W474 V478 T494 T496 L497 E501 V502 I503 F505	G465-R499 PolarHBondContact O-NE 3.45Å; G465-R499 PolarHBondContact O-NH2 3.48Å; W474-R499 HydrophobicContact CH2-CG 4.09Å; W474-R499 HydrophobicContact CZ3-CG 4.1Å; V478-R499 HydrophobicContact CG2-CG 4.13Å; T494-R499 PolarHBondContact O-NH1 3.47Å; T496-R499 WeakPolarHBondContact O-CA 3.36Å; T496-R499 WeakPolarHBondContact O-CB 3.37Å; T496-R499 PolarHBondContact O-N 2.97Å; T496-R499 WeakPolarHBondContact OG1-CG 3.25Å; L497-R499 PolarHBondContact O-N 3.48Å; L497-R499 VanDerWaalsContact O-N 3.1Å; R499-E501 PolarHBondContact O-N 3.27Å; R499-V502 VanDerWaalsContact O-CG2 3.3Å; R499-V502 WeakPolarHBondContact O-CG2 3.46Å; R499-V502 PolarHBondContact O-N 3.48Å; R499-I503 HydrophobicContact CB-CG1 4.45Å; R499-I503 VanDerWaalsContact O-CG1 3.26Å; R499-I503 WeakPolarHBondContact O-CG1 3.41Å; R499-I503 PolarHBondContact O-N 2.81Å; R499-F505 HydrophobicContact CB-CE2 3.71Å; R499-F505 HydrophobicContact CB-CZ 3.88Å
500	E	92.3	Very high	93	Very high	115 Å²	115	76.7 Å²	76.7	54%	0.537	41%	0.405	S	S	.	.	H	α-helix	trans	-61.9	-26.6	175.5	-164.1	168.4	-161.6	0	0	112	T496 L497 V502 F505	T496-E500 PolarHBondContact O-N 3.5Å; L497-E500 WeakPolarHBondContact O-CB 3.37Å; L497-E500 PolarHBondContact O-N 2.94Å; E500-V502 PolarHBondContact O-N 3.06Å; E500-F505 HydrophobicContact CB-CD2 4.43Å
501	E	89.6	Confident	92.7	Very high	133 Å²	133	81.7 Å²	81.7	62%	0.621	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.3	168.3	-76.2	171.3	-169.1	0	0	115.1	L497 R499	L497-E501 WeakPolarHBondContact O-CG 3.4Å; L497-E501 PolarHBondContact O-N 3.12Å; R499-E501 PolarHBondContact O-N 3.27Å
502	V	89.6	Confident	92.3	Very high	60 Å²	60	87.1 Å²	87.1	36%	0.364	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.8	-15.1	-172.9	-61.4	0	0	0	0	115.7	W474 V478 V482 R499 E500	W474-V502 HydrophobicContact CD2-CG2 4.38Å; W474-V502 HydrophobicContact CZ2-CG2 3.92Å; V478-V502 HydrophobicContact CG1-CG2 3.99Å; V482-V502 HydrophobicContact CG2-CB 4.09Å; V482-V502 HydrophobicContact CG2-CG2 4.09Å; R499-V502 VanDerWaalsContact O-CG2 3.3Å; R499-V502 WeakPolarHBondContact O-CG2 3.46Å; R499-V502 PolarHBondContact O-N 3.48Å; E500-V502 PolarHBondContact O-N 3.06Å
503	I	93.8	Very high	92	Very high	20 Å²	20	88.9 Å²	88.9	10%	0.103	49%	0.489	C	S	.	.	S	Bend	trans	-143.1	138.2	173.7	53.3	166.4	0	0	0	110.5	V478 L481 V482 L493 R499 F505	V478-I503 HydrophobicContact CB-CD1 4.43Å; V478-I503 HydrophobicContact CG1-CD1 4.08Å; V478-I503 HydrophobicContact CG1-CG1 4.34Å; V478-I503 HydrophobicContact CG2-CD1 4.02Å; L481-I503 HydrophobicContact CB-CG2 3.86Å; L481-I503 HydrophobicContact CD1-CB 4.5Å; L481-I503 HydrophobicContact CD1-CD1 4.01Å; L481-I503 HydrophobicContact CD1-CG2 4.09Å; V482-I503 HydrophobicContact CG2-CG2 3.76Å; L493-I503 HydrophobicContact CD2-CD1 4.27Å; R499-I503 HydrophobicContact CB-CG1 4.45Å; R499-I503 VanDerWaalsContact O-CG1 3.26Å; R499-I503 WeakPolarHBondContact O-CG1 3.41Å; R499-I503 PolarHBondContact O-N 2.81Å; I503-F505 HydrophobicContact CD1-CE2 3.96Å; I503-F505 HydrophobicContact CD1-CZ 3.77Å; I503-F505 HydrophobicContact CG1-CE2 3.81Å; I503-F505 HydrophobicContact CG1-CZ 4.16Å; I503-F505 WeakPolarHBondContact O-CD2 3.32Å
504	D	93.6	Very high	91.7	Very high	167 Å²	167	96.2 Å²	96.2	89%	0.893	53%	0.527	S	S	*	.			trans	-70.1	143.9	173.5	-70	-52	0	0	0	111.7
505	F	93.8	Very high	91.4	Very high	57 Å²	57	97.3 Å²	97.3	25%	0.25	54%	0.538	C	S	.	.			trans	-116.5	142.9	174.5	-76.3	-89.4	0	0	0	112.1	L493 I495 R499 E500 I503	L493-F505 HydrophobicContact CD2-CE1 3.98Å; L493-F505 HydrophobicContact CD2-CZ 4.14Å; L493-F505 HydrophobicContact CG-CE1 4.27Å; I495-F505 HydrophobicContact CB-CD1 4.38Å; I495-F505 HydrophobicContact CB-CE1 4.49Å; I495-F505 HydrophobicContact CD1-CB 4.24Å; I495-F505 HydrophobicContact CD1-CD1 4.26Å; I495-F505 HydrophobicContact CD1-CG 4.42Å; I495-F505 HydrophobicContact CG1-CB 4.48Å; I495-F505 HydrophobicContact CG1-CD1 3.69Å; I495-F505 HydrophobicContact CG1-CE1 4.06Å; I495-F505 HydrophobicContact CG1-CG 4.12Å; I495-F505 HydrophobicContact CG2-CB 4.37Å; I495-F505 HydrophobicContact CG2-CD1 4.32Å; I495-F505 HydrophobicContact CG2-CD2 4Å; I495-F505 HydrophobicContact CG2-CE2 4.34Å; I495-F505 HydrophobicContact CG2-CG 3.98Å; R499-F505 HydrophobicContact CB-CE2 3.71Å; R499-F505 HydrophobicContact CB-CZ 3.88Å; E500-F505 HydrophobicContact CB-CD2 4.43Å; I503-F505 HydrophobicContact CD1-CE2 3.96Å; I503-F505 HydrophobicContact CD1-CZ 3.77Å; I503-F505 HydrophobicContact CG1-CE2 3.81Å; I503-F505 HydrophobicContact CG1-CZ 4.16Å; I503-F505 WeakPolarHBondContact O-CD2 3.32Å
506	S	93.3	Very high	91.1	Very high	93 Å²	93	101.6 Å²	101.6	65%	0.65	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-71.8	171.5	164.5	60.8	0	0	0	0	111.2
507	K	92.4	Very high	91	Very high	190 Å²	190	107.9 Å²	107.9	83%	0.826	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-66.2	138.7	170.7	-61	-51.9	-176.9	-166.6	0	109.9	F509	K507-F509 PolarHBondContact O-N 2.95Å
508	P	93.2	Very high	91	Very high	85 Å²	85	108.1 Å²	108.1	55%	0.552	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-63.8	124.7	-172.9	24.7	-34.3	0	0	0	111.5	I495	I495-P508 HydrophobicContact CD1-CB 4.15Å
509	F	91.5	Very high	90.8	Very high	108 Å²	108	113.7 Å²	113.7	47%	0.474	61%	0.606	S	S	.	*	S	Bend	trans	-81.1	-18	179.3	64.8	-93.5	0	0	0	113.4	Y438 I439 L442 K507	Y438-F509 HydrophobicContact CE1-CD2 4.29Å; Y438-F509 AromaticContact CE1-CE2 3.91Å; Y438-F509 HydrophobicContact CE1-CE2 3.91Å; I439-F509 HydrophobicContact CD1-CZ 4.05Å; L442-F509 HydrophobicContact CD2-CD1 4.48Å; L442-F509 HydrophobicContact CD2-CD2 4.24Å; L442-F509 HydrophobicContact CD2-CE1 4.47Å; L442-F509 HydrophobicContact CD2-CE2 4.26Å; L442-F509 HydrophobicContact CD2-CG 4.37Å; L442-F509 HydrophobicContact CD2-CZ 4.38Å; K507-F509 PolarHBondContact O-N 2.95Å
510	M	91.2	Very high	90.4	Very high	74 Å²	74	120.7 Å²	120.7	37%	0.365	64%	0.638	S	S	.	*	S	Bend	trans	-141.3	127.2	-179.5	-175	178	-68.1	0	0	109.6	Y438	Y438-M510 HydrophobicContact CD1-CE 4.45Å; Y438-M510 HydrophobicContact CE1-CE 3.79Å
511	S	87.9	Confident	90	Very high	119 Å²	119	120.1 Å²	120.1	83%	0.832	64%	0.644	S	S	*	*			trans	-94	126.1	174.5	-65.8	0	0	0	0	110
512	L	87.9	Confident	89.7	Confident	123 Å²	123	120 Å²	120	64%	0.644	65%	0.652	S	S	*	*			trans	-139.5	163.5	178	57.2	76.1	0	0	0	110.5
513	G	86.2	Confident	89	Confident	59 Å²	59	126.7 Å²	126.7	61%	0.608	68%	0.676	S	S	*	*			trans	-150.2	171.3	-177.7	0	0	0	0	0	112.1	S515	G513-S515 PolarHBondContact O-N 2.98Å
514	I	88.2	Confident	88.1	Confident	182 Å²	182	131.1 Å²	131.1	93%	0.933	71%	0.709	S	S	*	*			trans	-68.5	118.3	-179.2	-57.7	173.7	0	0	0	109.2
515	S	87.4	Confident	87.3	Confident	105 Å²	105	132.4 Å²	132.4	73%	0.734	71%	0.707	S	S	*	*			trans	-122.5	139.6	178.3	63.9	0	0	0	0	111.3	G513	G513-S515 PolarHBondContact O-N 2.98Å
516	I	88.9	Confident	86.6	Confident	154 Å²	154	134.7 Å²	134.7	79%	0.79	73%	0.727	S	S	*	*			trans	-93.9	112	177.8	-54.7	178	0	0	0	109.5	I518	I516-I518 HydrophobicContact CG2-CG2 4.03Å
517	M	90	Very high	85.9	Confident	185 Å²	185	132.7 Å²	132.7	91%	0.911	72%	0.721	S	S	*	*			trans	-85.2	112.8	172.7	-171	-177.3	-63.4	0	0	110.2
518	I	91.6	Very high	85.4	Confident	129 Å²	129	130 Å²	130	66%	0.662	72%	0.72	S	S	*	*			trans	-105.5	148.3	171.3	63.1	174	0	0	0	110.9	I516 K520	I516-I518 HydrophobicContact CG2-CG2 4.03Å; I518-K520 PolarHBondContact O-N 2.89Å
519	K	90	Very high	84.8	Confident	196 Å²	196	132.6 Å²	132.6	85%	0.852	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-60.4	123.8	169.6	-178.6	177.1	178.8	179.5	0	108.7	P521	K519-P521 VanDerWaalsContact O-N 3.16Å
520	K	86.8	Confident	84.4	Confident	181 Å²	181	129.3 Å²	129.3	79%	0.787	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-50.3	120.7	177.9	-177.8	176.8	-178	175.7	0	109.8	I518 T522	I518-K520 PolarHBondContact O-N 2.89Å; K520-T522 PolarHBondContact O-N 2.63Å
521	P	83.7	Confident	84.1	Confident	103 Å²	103	132.7 Å²	132.7	67%	0.669	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-65.3	123.1	-177.7	24.8	-33.1	0	0	0	109.8	K519 K523	K519-P521 VanDerWaalsContact O-N 3.16Å; P521-K523 PolarHBondContact O-N 3.22Å
522	T	82.7	Confident	84	Confident	129 Å²	129	129.7 Å²	129.7	79%	0.791	70%	0.701	S	S	*	*			trans	-71.6	107.1	169.4	46.2	0	0	0	0	108	K520 S524	K520-T522 PolarHBondContact O-N 2.63Å; T522-S524 PolarHBondContact O-N 2.9Å
523	K	74.6	Confident	83.9	Confident	201 Å²	201	129.2 Å²	129.2	87%	0.874	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-53.8	124.1	167.6	-69.6	-168.6	175.5	-169.8	0	108.1	P521	P521-K523 PolarHBondContact O-N 3.22Å
524	S	74.7	Confident	84.1	Confident	113 Å²	113	131.6 Å²	131.6	79%	0.79	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-56	139.6	168.1	35	0	0	0	0	108.9	T522	T522-S524 PolarHBondContact O-N 2.9Å
525	K	77.1	Confident	84.1	Confident	194 Å²	194	126.4 Å²	126.4	84%	0.843	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-67.6	141.7	165.2	-64.9	-177.1	-179.7	-178.5	0	107.5	G527	K525-G527 PolarHBondContact O-N 3.03Å
526	P	78.8	Confident	84.2	Confident	105 Å²	105	123.7 Å²	123.7	68%	0.682	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-55.4	140.4	173.4	22.8	-32.4	0	0	0	110.2	S530	P526-S530 WeakPolarHBondContact CB-OG 3.41Å
527	G	78.7	Confident	84.2	Confident	51 Å²	51	124 Å²	124	53%	0.526	65%	0.654	S	S	.	*	P	Polyproline II helix	trans	-73	169	178.9	0	0	0	0	0	112.5	K525 F529 S530	K525-G527 PolarHBondContact O-N 3.03Å; G527-F529 PolarHBondContact O-N 3.42Å; G527-S530 WeakPolarHBondContact O-CB 3.38Å; G527-S530 PolarHBondContact O-N 3.43Å
528	V	82.5	Confident	84.2	Confident	133 Å²	133	121.2 Å²	121.2	81%	0.806	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-31.8	176.9	-179	0	0	0	0	111.7
529	F	80.7	Confident	84.2	Confident	141 Å²	141	118.8 Å²	118.8	62%	0.618	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	12.4	177.7	-62.3	-68.2	0	0	0	114.5	G527 F531 L532	G527-F529 PolarHBondContact O-N 3.42Å; F529-F531 HydrophobicContact CD1-CE1 4.07Å; F529-F531 HydrophobicContact CD1-CZ 4.41Å; F529-F531 PolarHBondContact O-N 3.41Å; F529-L532 HydrophobicContact CB-CD1 4.26Å; F529-L532 HydrophobicContact CD1-CD1 4.25Å; F529-L532 WeakPolarHBondContact O-CB 3.22Å; F529-L532 PolarHBondContact O-N 3.24Å
530	S	82.9	Confident	84.2	Confident	38 Å²	38	113.7 Å²	113.7	27%	0.266	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.3	-6.8	-174.2	-165.5	0	0	0	0	114.6	P526 G527 L532 D533	P526-S530 WeakPolarHBondContact CB-OG 3.41Å; G527-S530 WeakPolarHBondContact O-CB 3.38Å; G527-S530 PolarHBondContact O-N 3.43Å; S530-L532 VanDerWaalsContact C-N 3.27Å; S530-D533 VanDerWaalsContact CA-CG 3.49Å; S530-D533 VanDerWaalsContact CA-OD2 3.27Å; S530-D533 WeakPolarHBondContact CA-OD2 2.93Å; S530-D533 VanDerWaalsContact CB-OD2 3.28Å; S530-D533 WeakPolarHBondContact CB-OD2 3.5Å; S530-D533 WeakPolarHBondContact O-CB 3.41Å; S530-D533 PolarHBondContact OG-OD2 3.03Å
531	F	84.6	Confident	84.4	Confident	146 Å²	146	108.4 Å²	108.4	64%	0.64	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-15.9	166.9	72.7	-88.2	0	0	0	113.7	F529 P534	F529-F531 HydrophobicContact CD1-CE1 4.07Å; F529-F531 HydrophobicContact CD1-CZ 4.41Å; F529-F531 PolarHBondContact O-N 3.41Å; F531-P534 WeakPolarHBondContact O-CD 3.36Å
532	L	85.8	Confident	84.7	Confident	56 Å²	56	107.4 Å²	107.4	29%	0.293	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.6	-25.8	173.5	-59.6	177.9	0	0	0	112.3	F529 S530 P534 L535 W540	F529-L532 HydrophobicContact CB-CD1 4.26Å; F529-L532 HydrophobicContact CD1-CD1 4.25Å; F529-L532 WeakPolarHBondContact O-CB 3.22Å; F529-L532 PolarHBondContact O-N 3.24Å; S530-L532 VanDerWaalsContact C-N 3.27Å; L532-P534 VanDerWaalsContact C-N 3.27Å; L532-P534 WeakPolarHBondContact O-CD 3.33Å; L532-P534 VanDerWaalsContact O-N 3.11Å; L532-L535 PolarHBondContact O-N 3.36Å; L532-W540 HydrophobicContact CB-CZ2 4.45Å; L532-W540 HydrophobicContact CD2-CH2 3.87Å; L532-W540 HydrophobicContact CD2-CZ2 3.45Å; L532-W540 VanDerWaalsContact CD2-CZ2 3.45Å; L532-W540 PolarHBondContact O-NE1 3.01Å
533	D	86.3	Confident	85.1	Confident	112 Å²	112	103.5 Å²	103.5	60%	0.599	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	-30.3	179	-61.4	-7.7	0	0	0	115.9	S530 L535	S530-D533 VanDerWaalsContact CA-CG 3.49Å; S530-D533 VanDerWaalsContact CA-OD2 3.27Å; S530-D533 WeakPolarHBondContact CA-OD2 2.93Å; S530-D533 VanDerWaalsContact CB-OD2 3.28Å; S530-D533 WeakPolarHBondContact CB-OD2 3.5Å; S530-D533 WeakPolarHBondContact O-CB 3.41Å; S530-D533 PolarHBondContact OG-OD2 3.03Å; D533-L535 PolarHBondContact O-N 2.95Å; D533-L535 VanDerWaalsContact O-N 3.15Å
534	P	90	Very high	85.9	Confident	110 Å²	110	97.6 Å²	97.6	71%	0.714	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-13.7	175.8	-25.4	36.6	0	0	0	115.1	F531 L532	F531-P534 WeakPolarHBondContact O-CD 3.36Å; L532-P534 VanDerWaalsContact C-N 3.27Å; L532-P534 WeakPolarHBondContact O-CD 3.33Å; L532-P534 VanDerWaalsContact O-N 3.11Å
535	L	88.4	Confident	86.6	Confident	72 Å²	72	98.8 Å²	98.8	38%	0.377	52%	0.521	S	S	.	.	S	Bend	trans	-127.9	127.9	177.9	-77.6	166.2	0	0	0	109.6	L532 D533 I539 W540	L532-L535 PolarHBondContact O-N 3.36Å; D533-L535 PolarHBondContact O-N 2.95Å; D533-L535 VanDerWaalsContact O-N 3.15Å; L535-I539 HydrophobicContact CD2-CD1 4.23Å; L535-I539 HydrophobicContact CD2-CG2 4.08Å; L535-W540 HydrophobicContact CB-CZ2 4.19Å; L535-W540 HydrophobicContact CD1-CH2 4.25Å; L535-W540 HydrophobicContact CD1-CZ2 3.8Å; L535-W540 VanDerWaalsContact O-CD1 3.31Å; L535-W540 PolarHBondContact O-NE1 3.42Å
536	A	89.1	Confident	87.3	Confident	48 Å²	48	92.2 Å²	92.2	40%	0.397	50%	0.503	S	S	.	.			trans	-62.3	149.2	179.1	0	0	0	0	0	111.5	E538 I539 W540	A536-E538 WeakPolarHBondContact CB-OE2 3.44Å; A536-E538 PolarHBondContact O-N 3.18Å; A536-I539 HydrophobicContact CB-CD1 4.12Å; A536-I539 HydrophobicContact CB-CG1 4.22Å; A536-I539 WeakPolarHBondContact O-CA 3.36Å; A536-I539 WeakPolarHBondContact O-CB 3.15Å; A536-I539 PolarHBondContact O-N 3.16Å; A536-W540 PolarHBondContact O-N 2.9Å
537	Y	89	Confident	87.8	Confident	160 Å²	160	90 Å²	90	63%	0.627	48%	0.481	S	S	*	.	H	α-helix	trans	-58.2	-35.6	-175.5	174.1	-107.9	0	0	0	112.5	I539 W540 M541	Y537-I539 VanDerWaalsContact C-N 3.27Å; Y537-I539 PolarHBondContact O-N 3.11Å; Y537-W540 PolarHBondContact O-N 2.91Å; Y537-M541 HydrophobicContact CD1-CG 4.36Å; Y537-M541 HydrophobicContact CE1-CG 3.87Å; Y537-M541 HydrophobicContact CE2-CG 4.04Å; Y537-M541 HydrophobicContact CE2-SD 4.14Å; Y537-M541 WeakPolarHBondContact O-CG 3.37Å; Y537-M541 PolarHBondContact O-N 3.28Å; Y537-M541 PolarHBondContact OH-SD 3.36Å
538	E	91.1	Very high	88.2	Confident	127 Å²	127	91.5 Å²	91.5	59%	0.593	48%	0.476	S	S	*	.	H	α-helix	trans	-59.4	-38.2	174.5	-59.5	75.8	-168.9	0	0	111.6	A536 M541 C542	A536-E538 WeakPolarHBondContact CB-OE2 3.44Å; A536-E538 PolarHBondContact O-N 3.18Å; E538-M541 PolarHBondContact O-N 3.4Å; E538-C542 WeakPolarHBondContact O-CB 3.34Å; E538-C542 PolarHBondContact O-N 3.21Å; E538-C542 PolarHBondContact O-SG 2.7Å
539	I	91.5	Very high	88.6	Confident	79 Å²	79	86.7 Å²	86.7	41%	0.405	45%	0.454	S	S	.	.	H	α-helix	trans	-72.1	-41.6	178.6	-53.3	173.4	0	0	0	110	L535 A536 Y537 M541 C542 I543	L535-I539 HydrophobicContact CD2-CD1 4.23Å; L535-I539 HydrophobicContact CD2-CG2 4.08Å; A536-I539 HydrophobicContact CB-CD1 4.12Å; A536-I539 HydrophobicContact CB-CG1 4.22Å; A536-I539 WeakPolarHBondContact O-CA 3.36Å; A536-I539 WeakPolarHBondContact O-CB 3.15Å; A536-I539 PolarHBondContact O-N 3.16Å; Y537-I539 VanDerWaalsContact C-N 3.27Å; Y537-I539 PolarHBondContact O-N 3.11Å; I539-M541 VanDerWaalsContact C-N 3.32Å; I539-M541 PolarHBondContact O-N 3.1Å; I539-C542 PolarHBondContact O-N 3.09Å; I539-I543 HydrophobicContact CG2-CD1 4.07Å; I539-I543 HydrophobicContact CG2-CG1 4.43Å; I539-I543 VanDerWaalsContact O-CG1 3.32Å; I539-I543 WeakPolarHBondContact O-CG1 3.47Å; I539-I543 PolarHBondContact O-N 3.28Å
540	W	90.3	Very high	88.9	Confident	89 Å²	89	84 Å²	84	34%	0.337	45%	0.449	S	S	.	.	H	α-helix	trans	-57.9	-44	172.9	-75.1	108.8	0	0	0	112	L532 L535 A536 Y537 I543 V544	L532-W540 HydrophobicContact CB-CZ2 4.45Å; L532-W540 HydrophobicContact CD2-CH2 3.87Å; L532-W540 HydrophobicContact CD2-CZ2 3.45Å; L532-W540 VanDerWaalsContact CD2-CZ2 3.45Å; L532-W540 PolarHBondContact O-NE1 3.01Å; L535-W540 HydrophobicContact CB-CZ2 4.19Å; L535-W540 HydrophobicContact CD1-CH2 4.25Å; L535-W540 HydrophobicContact CD1-CZ2 3.8Å; L535-W540 VanDerWaalsContact O-CD1 3.31Å; L535-W540 PolarHBondContact O-NE1 3.42Å; A536-W540 PolarHBondContact O-N 2.9Å; Y537-W540 PolarHBondContact O-N 2.91Å; W540-I543 PolarHBondContact O-N 2.6Å; W540-V544 WeakPolarHBondContact O-CG2 3.39Å; W540-V544 PolarHBondContact O-N 3.41Å; W540-V544 VanDerWaalsContact O-N 3.14Å
541	M	90.1	Very high	89.1	Confident	70 Å²	70	82.5 Å²	82.5	35%	0.345	44%	0.438	S	S	.	.	H	α-helix	trans	-64.5	-41.5	174.6	-66.8	-64.1	-72.2	0	0	112	Y537 E538 I539 I543 V544 F545	Y537-M541 HydrophobicContact CD1-CG 4.36Å; Y537-M541 HydrophobicContact CE1-CG 3.87Å; Y537-M541 HydrophobicContact CE2-CG 4.04Å; Y537-M541 HydrophobicContact CE2-SD 4.14Å; Y537-M541 WeakPolarHBondContact O-CG 3.37Å; Y537-M541 PolarHBondContact O-N 3.28Å; Y537-M541 PolarHBondContact OH-SD 3.36Å; E538-M541 PolarHBondContact O-N 3.4Å; I539-M541 VanDerWaalsContact C-N 3.32Å; I539-M541 PolarHBondContact O-N 3.1Å; M541-I543 PolarHBondContact O-N 2.95Å; M541-V544 PolarHBondContact O-N 2.92Å; M541-F545 HydrophobicContact CB-CE2 4.37Å; M541-F545 HydrophobicContact CE-CE2 4.15Å; M541-F545 HydrophobicContact CE-CZ 4.19Å; M541-F545 WeakPolarHBondContact O-CD2 3.3Å; M541-F545 PolarHBondContact O-N 3.24Å
542	C	91.1	Very high	89.1	Confident	81 Å²	81	79.1 Å²	79.1	55%	0.547	43%	0.429	S	S	.	.	H	α-helix	trans	-63.4	-38.3	175.4	-69.6	0	0	0	0	112.7	E538 I539 F545 A546	E538-C542 WeakPolarHBondContact O-CB 3.34Å; E538-C542 PolarHBondContact O-N 3.21Å; E538-C542 PolarHBondContact O-SG 2.7Å; I539-C542 PolarHBondContact O-N 3.09Å; C542-F545 PolarHBondContact O-N 2.88Å; C542-A546 WeakPolarHBondContact O-CB 3.27Å; C542-A546 PolarHBondContact O-N 3.43Å
543	I	90.4	Very high	89.1	Confident	48 Å²	48	80.7 Å²	80.7	25%	0.246	44%	0.441	C	S	.	.	H	α-helix	trans	-61.2	-46.4	174.7	-71.7	164.8	0	0	0	110.1	I539 W540 M541 A546 Y547 F623	I539-I543 HydrophobicContact CG2-CD1 4.07Å; I539-I543 HydrophobicContact CG2-CG1 4.43Å; I539-I543 VanDerWaalsContact O-CG1 3.32Å; I539-I543 WeakPolarHBondContact O-CG1 3.47Å; I539-I543 PolarHBondContact O-N 3.28Å; W540-I543 PolarHBondContact O-N 2.6Å; M541-I543 PolarHBondContact O-N 2.95Å; I543-A546 PolarHBondContact O-N 3.41Å; I543-Y547 WeakPolarHBondContact O-CB 3.42Å; I543-Y547 PolarHBondContact O-N 2.89Å; I543-F623 HydrophobicContact CG2-CE2 4.01Å; I543-F623 HydrophobicContact CG2-CZ 3.72Å
544	V	90.1	Very high	88.9	Confident	76 Å²	76	76.9 Å²	76.9	46%	0.461	42%	0.42	S	S	.	.	H	α-helix	trans	-62.2	-44.9	177.8	172.9	0	0	0	0	111.7	W540 M541 I548	W540-V544 WeakPolarHBondContact O-CG2 3.39Å; W540-V544 PolarHBondContact O-N 3.41Å; W540-V544 VanDerWaalsContact O-N 3.14Å; M541-V544 PolarHBondContact O-N 2.92Å; V544-I548 HydrophobicContact CG1-CD1 4.05Å; V544-I548 WeakPolarHBondContact O-CG1 3.36Å; V544-I548 PolarHBondContact O-N 3.16Å; V544-I548 VanDerWaalsContact O-N 3.1Å
545	F	90.9	Very high	88.5	Confident	139 Å²	139	74 Å²	74	61%	0.61	40%	0.397	S	S	*	.	H	α-helix	trans	-67.2	-39.9	177.3	-69	-52.4	0	0	0	112.8	M541 C542 I548 G549	M541-F545 HydrophobicContact CB-CE2 4.37Å; M541-F545 HydrophobicContact CE-CE2 4.15Å; M541-F545 HydrophobicContact CE-CZ 4.19Å; M541-F545 WeakPolarHBondContact O-CD2 3.3Å; M541-F545 PolarHBondContact O-N 3.24Å; C542-F545 PolarHBondContact O-N 2.88Å; F545-I548 PolarHBondContact O-N 2.91Å; F545-G549 PolarHBondContact O-N 2.92Å
546	A	90.3	Very high	88.2	Confident	56 Å²	56	74.2 Å²	74.2	46%	0.463	40%	0.398	S	S	.	.	H	α-helix	trans	-66	-41.7	176.9	0	0	0	0	0	111.8	C542 I543 G549 V550	C542-A546 WeakPolarHBondContact O-CB 3.27Å; C542-A546 PolarHBondContact O-N 3.43Å; I543-A546 PolarHBondContact O-N 3.41Å; A546-G549 PolarHBondContact O-N 3.08Å; A546-V550 WeakPolarHBondContact O-CB 3.48Å; A546-V550 WeakPolarHBondContact O-CG2 3.35Å; A546-V550 PolarHBondContact O-N 2.84Å
547	Y	89.3	Confident	87.9	Confident	57 Å²	57	75.9 Å²	75.9	22%	0.224	40%	0.403	C	S	.	.	H	α-helix	trans	-58.2	-48.6	174.3	163.7	-103.5	0	0	0	112.2	I543 S551 L616 S619 L620	I543-Y547 WeakPolarHBondContact O-CB 3.42Å; I543-Y547 PolarHBondContact O-N 2.89Å; Y547-S551 WeakPolarHBondContact O-CB 3.49Å; Y547-S551 PolarHBondContact O-N 3.43Å; Y547-S551 PolarHBondContact O-OG 3.35Å; Y547-L616 HydrophobicContact CE1-CD1 3.6Å; Y547-L616 HydrophobicContact CE2-CD1 4.41Å; Y547-L616 WeakPolarHBondContact OH-CD1 3.31Å; Y547-S619 WeakPolarHBondContact CD2-OG 3.49Å; Y547-S619 WeakPolarHBondContact CE2-OG 3.21Å; Y547-L620 HydrophobicContact CE2-CB 3.91Å; Y547-L620 HydrophobicContact CE2-CD1 4.06Å
548	I	88.8	Confident	87.2	Confident	83 Å²	83	68.2 Å²	68.2	43%	0.426	37%	0.373	S	S	.	.	H	α-helix	trans	-63.5	-43.6	174.9	-65.6	166.5	0	0	0	110.6	V544 F545 S551 V552	V544-I548 HydrophobicContact CG1-CD1 4.05Å; V544-I548 WeakPolarHBondContact O-CG1 3.36Å; V544-I548 PolarHBondContact O-N 3.16Å; V544-I548 VanDerWaalsContact O-N 3.1Å; F545-I548 PolarHBondContact O-N 2.91Å; I548-S551 WeakPolarHBondContact O-CB 3.31Å; I548-S551 PolarHBondContact O-N 3.09Å; I548-V552 HydrophobicContact CG2-CG2 4.45Å; I548-V552 WeakPolarHBondContact O-CG2 3.41Å; I548-V552 PolarHBondContact O-N 3.25Å
549	G	89.7	Confident	86.2	Confident	33 Å²	33	68 Å²	68	34%	0.34	37%	0.366	S	S	.	.	H	α-helix	trans	-59.9	-47.9	178.7	0	0	0	0	0	113.1	F545 A546 V552 V553	F545-G549 PolarHBondContact O-N 2.92Å; A546-G549 PolarHBondContact O-N 3.08Å; G549-V552 PolarHBondContact O-N 3.47Å; G549-V553 WeakPolarHBondContact O-CB 3.16Å; G549-V553 VanDerWaalsContact O-CG2 3.32Å; G549-V553 WeakPolarHBondContact O-CG2 3.35Å; G549-V553 PolarHBondContact O-N 2.83Å
550	V	88.4	Confident	85.2	Confident	84 Å²	84	71.8 Å²	71.8	51%	0.509	38%	0.381	S	S	.	.	H	α-helix	trans	-62.3	-42.9	175.4	170.1	0	0	0	0	110.9	A546 V552 V553 L554	A546-V550 WeakPolarHBondContact O-CB 3.48Å; A546-V550 WeakPolarHBondContact O-CG2 3.35Å; A546-V550 PolarHBondContact O-N 2.84Å; V550-V552 VanDerWaalsContact C-N 3.33Å; V550-V552 PolarHBondContact O-N 3.35Å; V550-V553 PolarHBondContact O-N 2.82Å; V550-L554 VanDerWaalsContact O-CB 3.28Å; V550-L554 WeakPolarHBondContact O-CB 3.47Å; V550-L554 PolarHBondContact O-N 3.42Å
551	S	85.3	Confident	84.2	Confident	7 Å²	7	69 Å²	69	5%	0.049	37%	0.374	C	S	.	.	H	α-helix	trans	-57.8	-44.1	176.3	-57.9	0	0	0	0	112.5	Y547 I548 F555 L616 S619	Y547-S551 WeakPolarHBondContact O-CB 3.49Å; Y547-S551 PolarHBondContact O-N 3.43Å; Y547-S551 PolarHBondContact O-OG 3.35Å; I548-S551 WeakPolarHBondContact O-CB 3.31Å; I548-S551 PolarHBondContact O-N 3.09Å; S551-F555 WeakPolarHBondContact O-CB 3.49Å; S551-F555 PolarHBondContact O-N 2.89Å; S551-F555 VanDerWaalsContact O-N 3.08Å; S551-L616 WeakPolarHBondContact OG-CD1 3.37Å; S551-S619 PolarHBondContact OG-OG 2.97Å
552	V	85.7	Confident	82.7	Confident	74 Å²	74	70.4 Å²	70.4	45%	0.448	39%	0.389	S	S	.	.	H	α-helix	trans	-72.4	-40.9	179.9	171.8	0	0	0	0	111.5	I548 G549 V550 F555 L556	I548-V552 HydrophobicContact CG2-CG2 4.45Å; I548-V552 WeakPolarHBondContact O-CG2 3.41Å; I548-V552 PolarHBondContact O-N 3.25Å; G549-V552 PolarHBondContact O-N 3.47Å; V550-V552 VanDerWaalsContact C-N 3.33Å; V550-V552 PolarHBondContact O-N 3.35Å; V552-F555 PolarHBondContact O-N 3.35Å; V552-L556 HydrophobicContact CG1-CD1 4.01Å; V552-L556 HydrophobicContact CG1-CG 4.49Å; V552-L556 VanDerWaalsContact O-CG 3.26Å; V552-L556 WeakPolarHBondContact O-CG 3.43Å; V552-L556 PolarHBondContact O-N 2.83Å
553	V	85.9	Confident	81.3	Confident	90 Å²	90	76.1 Å²	76.1	55%	0.545	40%	0.4	S	S	.	.	H	α-helix	trans	-63.8	-44	176	169.5	0	0	0	0	110.9	G549 V550 L556 V557	G549-V553 WeakPolarHBondContact O-CB 3.16Å; G549-V553 VanDerWaalsContact O-CG2 3.32Å; G549-V553 WeakPolarHBondContact O-CG2 3.35Å; G549-V553 PolarHBondContact O-N 2.83Å; V550-V553 PolarHBondContact O-N 2.82Å; V553-L556 PolarHBondContact O-N 3.18Å; V553-V557 HydrophobicContact CG1-CG2 4.33Å; V553-V557 WeakPolarHBondContact O-CG2 3.4Å; V553-V557 PolarHBondContact O-N 3.08Å
554	L	82.3	Confident	79.8	Confident	31 Å²	31	75.1 Å²	75.1	16%	0.162	39%	0.394	C	S	.	.	H	α-helix	trans	-62.4	-46	177.9	-168	153	0	0	0	111.2	V550 L556 V557 S558 F610 F618	V550-L554 VanDerWaalsContact O-CB 3.28Å; V550-L554 WeakPolarHBondContact O-CB 3.47Å; V550-L554 PolarHBondContact O-N 3.42Å; L554-L556 VanDerWaalsContact C-N 3.32Å; L554-L556 PolarHBondContact O-N 3.19Å; L554-V557 PolarHBondContact O-N 3.46Å; L554-S558 PolarHBondContact O-N 3.17Å; L554-S558 PolarHBondContact O-OG 3Å; L554-F610 HydrophobicContact CD2-CD1 3.46Å; L554-F610 VanDerWaalsContact CD2-CD1 3.46Å; L554-F610 HydrophobicContact CD2-CE1 3.76Å; L554-F610 HydrophobicContact CD2-CG 4.15Å; L554-F618 HydrophobicContact CD1-CD1 3.68Å; L554-F618 HydrophobicContact CD1-CE1 3.7Å
555	F	81.6	Confident	78.6	Confident	49 Å²	49	74 Å²	74	22%	0.215	38%	0.382	C	S	.	.	H	α-helix	trans	-57.9	-39.7	173.1	171.1	-107.1	0	0	0	113.2	S551 V552 S558 R559 F610 I612	S551-F555 WeakPolarHBondContact O-CB 3.49Å; S551-F555 PolarHBondContact O-N 2.89Å; S551-F555 VanDerWaalsContact O-N 3.08Å; V552-F555 PolarHBondContact O-N 3.35Å; F555-S558 PolarHBondContact O-OG 2.74Å; F555-R559 WeakPolarHBondContact O-CB 3.36Å; F555-R559 PolarHBondContact O-N 2.68Å; F555-R559 VanDerWaalsContact O-N 3.14Å; F555-F610 VanDerWaalsContact CD2-O 3.31Å; F555-F610 WeakPolarHBondContact CD2-O 3.34Å; F555-I612 HydrophobicContact CD1-CG1 3.93Å; F555-I612 HydrophobicContact CD2-CB 4.49Å; F555-I612 HydrophobicContact CD2-CG1 3.76Å; F555-I612 HydrophobicContact CE1-CD1 4.09Å; F555-I612 HydrophobicContact CE1-CG1 3.69Å; F555-I612 HydrophobicContact CE2-CD1 4.5Å; F555-I612 HydrophobicContact CE2-CG1 3.53Å; F555-I612 HydrophobicContact CG-CG1 3.97Å; F555-I612 HydrophobicContact CZ-CD1 4.01Å; F555-I612 HydrophobicContact CZ-CG1 3.49Å; F555-I612 VanDerWaalsContact CZ-CG1 3.49Å
556	L	81.9	Confident	77.1	Confident	78 Å²	78	70.2 Å²	70.2	41%	0.408	37%	0.366	S	S	.	.	H	α-helix	trans	-71	-42.7	177.8	-70.9	169.7	0	0	0	111.6	V552 V553 L554 R559 F560	V552-L556 HydrophobicContact CG1-CD1 4.01Å; V552-L556 HydrophobicContact CG1-CG 4.49Å; V552-L556 VanDerWaalsContact O-CG 3.26Å; V552-L556 WeakPolarHBondContact O-CG 3.43Å; V552-L556 PolarHBondContact O-N 2.83Å; V553-L556 PolarHBondContact O-N 3.18Å; L554-L556 VanDerWaalsContact C-N 3.32Å; L554-L556 PolarHBondContact O-N 3.19Å; L556-R559 PolarHBondContact O-N 3.25Å; L556-F560 HydrophobicContact CD2-CE2 4.14Å; L556-F560 WeakPolarHBondContact O-CD2 3.49Å; L556-F560 PolarHBondContact O-N 3.3Å; L556-F560 VanDerWaalsContact O-N 3.08Å
557	V	81.4	Confident	75	Confident	82 Å²	82	70.5 Å²	70.5	50%	0.497	37%	0.369	S	S	.	.	H	α-helix	trans	-60.5	-54.2	178.1	169.9	0	0	0	0	110.2	V553 L554 R559 F560 S561	V553-V557 HydrophobicContact CG1-CG2 4.33Å; V553-V557 WeakPolarHBondContact O-CG2 3.4Å; V553-V557 PolarHBondContact O-N 3.08Å; L554-V557 PolarHBondContact O-N 3.46Å; V557-R559 VanDerWaalsContact C-N 3.27Å; V557-R559 PolarHBondContact O-N 3.39Å; V557-F560 PolarHBondContact O-N 2.6Å; V557-F560 VanDerWaalsContact O-N 3.12Å; V557-S561 WeakPolarHBondContact O-CB 3.43Å; V557-S561 PolarHBondContact O-N 3.02Å
558	S	74.6	Confident	72.8	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-61.8	-33.7	179.9	65.2	0	0	0	0	112.8	L554 F555 E564 W565 N608 F610	L554-S558 PolarHBondContact O-N 3.17Å; L554-S558 PolarHBondContact O-OG 3Å; F555-S558 PolarHBondContact O-OG 2.74Å; S558-E564 WeakPolarHBondContact CA-OE1 3.37Å; S558-E564 VanDerWaalsContact CB-OE1 3.26Å; S558-E564 WeakPolarHBondContact CB-OE1 3.35Å; S558-W565 PolarHBondContact O-NE1 2.86Å; S558-N608 PolarHBondContact O-ND2 2.87Å; S558-F610 VanDerWaalsContact OG-CB 3.24Å; S558-F610 WeakPolarHBondContact OG-CB 3.33Å
559	R	71	Confident	70.4	Confident	121 Å²	121	77.3 Å²	77.3	46%	0.457	41%	0.406	S	S	.	.	H	α-helix	trans	-71.2	-28.2	177.4	-171.3	69.8	-160.3	69	-16.6	113.5	F555 L556 V557 W565	F555-R559 WeakPolarHBondContact O-CB 3.36Å; F555-R559 PolarHBondContact O-N 2.68Å; F555-R559 VanDerWaalsContact O-N 3.14Å; L556-R559 PolarHBondContact O-N 3.25Å; V557-R559 VanDerWaalsContact C-N 3.27Å; V557-R559 PolarHBondContact O-N 3.39Å; R559-W565 VanDerWaalsContact CZ-CH2 3.42Å
560	F	71	Confident	68.1	Low	160 Å²	160	85.7 Å²	85.7	70%	0.702	43%	0.429	S	S	*	.	H	α-helix	trans	-104.5	-20.8	-177.6	-76.5	-63.5	0	0	0	114.7	L556 V557 P562	L556-F560 HydrophobicContact CD2-CE2 4.14Å; L556-F560 WeakPolarHBondContact O-CD2 3.49Å; L556-F560 PolarHBondContact O-N 3.3Å; L556-F560 VanDerWaalsContact O-N 3.08Å; V557-F560 PolarHBondContact O-N 2.6Å; V557-F560 VanDerWaalsContact O-N 3.12Å; F560-P562 VanDerWaalsContact O-CD 3.31Å; F560-P562 WeakPolarHBondContact O-CD 3.49Å
561	S	68.8	Low	65.7	Low	29 Å²	29	91.1 Å²	91.1	20%	0.203	45%	0.448	C	S	.	.			trans	-71.5	114.7	174.3	175.2	0	0	0	0	110.5	V557 Y563 E564	V557-S561 WeakPolarHBondContact O-CB 3.43Å; V557-S561 PolarHBondContact O-N 3.02Å; S561-Y563 PolarHBondContact O-N 3.27Å; S561-E564 WeakPolarHBondContact CB-OE2 3.44Å; S561-E564 PolarHBondContact O-N 2.9Å; S561-E564 PolarHBondContact OG-OE2 3.5Å
562	P	59.3	Low	63.4	Low	100 Å²	100	100.6 Å²	100.6	65%	0.649	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-67.6	-16	-177.8	-21.8	35	0	0	0	114.1	F560	F560-P562 VanDerWaalsContact O-CD 3.31Å; F560-P562 WeakPolarHBondContact O-CD 3.49Å
563	Y	59.7	Low	61	Low	201 Å²	201	100.9 Å²	100.9	79%	0.788	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-87.2	-12	-176	-59.3	-75.2	0	0	0	113.7	S561	S561-Y563 PolarHBondContact O-N 3.27Å
564	E	60.7	Low	58.5	Low	27 Å²	27	101.2 Å²	101.2	13%	0.126	52%	0.522	C	S	.	.	G	3₁₀ helix	trans	-95	8.1	174.2	-73.2	162.7	86.1	0	0	112.6	S558 S561 N608	S558-E564 WeakPolarHBondContact CA-OE1 3.37Å; S558-E564 VanDerWaalsContact CB-OE1 3.26Å; S558-E564 WeakPolarHBondContact CB-OE1 3.35Å; S561-E564 WeakPolarHBondContact CB-OE2 3.44Å; S561-E564 PolarHBondContact O-N 2.9Å; S561-E564 PolarHBondContact OG-OE2 3.5Å; E564-N608 PolarHBondContact O-ND2 2.89Å
565	W	64	Low	56.1	Low	52 Å²	52	108.8 Å²	108.8	20%	0.197	56%	0.557	C	S	.	*	S	Bend	trans	-94.6	131.3	171.1	-71.3	75.5	0	0	0	110.6	S558 R559 Q606 N608	S558-W565 PolarHBondContact O-NE1 2.86Å; R559-W565 VanDerWaalsContact CZ-CH2 3.42Å; W565-Q606 HydrophobicContact CE3-CB 3.79Å; W565-Q606 HydrophobicContact CZ3-CB 4.48Å; W565-Q606 WeakPolarHBondContact CZ3-O 3.47Å; W565-N608 HydrophobicContact CD2-CB 4.02Å; W565-N608 VanDerWaalsContact CE2-ND2 3.33Å; W565-N608 HydrophobicContact CE3-CB 3.92Å; W565-N608 HydrophobicContact CH2-CB 3.69Å; W565-N608 HydrophobicContact CZ2-CB 3.77Å; W565-N608 HydrophobicContact CZ3-CB 3.79Å; W565-N608 PolarHBondContact NE1-ND2 3.06Å
566	H	60.1	Low	54.2	Low	60 Å²	60	111.5 Å²	111.5	28%	0.278	58%	0.579	S	S	.	*	B	Isolated β-bridge	trans	-81.9	120.5	173.8	-76.2	-119.1	0	0	0	109.5	T607	H566-T607 PolarHBondContact N-O 3.36Å; H566-T607 PolarHBondContact O-N 2.81Å
567	A	46.2	Very low	51.8	Low	63 Å²	63	117 Å²	117	52%	0.521	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-88.3	131.8	152.2	0	0	0	0	0	107.5	D569	A567-D569 PolarHBondContact O-N 3.29Å; A567-D569 VanDerWaalsContact O-N 3.17Å
568	E	43	Very low	49.2	Very low	132 Å²	132	120 Å²	120	62%	0.617	62%	0.621	S	S	*	*			trans	-82.2	88.6	174.2	-67.5	-171	155.7	0	0	109.9	Y570	E568-Y570 PolarHBondContact O-N 3.3Å
569	D	37.9	Very low	47.4	Very low	151 Å²	151	125 Å²	125	81%	0.807	65%	0.654	S	S	*	*			trans	-71.8	105.2	167	-73.3	-40.9	0	0	0	109.3	A567 E571	A567-D569 PolarHBondContact O-N 3.29Å; A567-D569 VanDerWaalsContact O-N 3.17Å; D569-E571 PolarHBondContact O-N 2.94Å
570	Y	41.1	Very low	45.4	Very low	209 Å²	209	125.7 Å²	125.7	82%	0.82	67%	0.672	S	S	*	*			trans	-73.4	103.1	172.8	-80.9	-98	0	0	0	110.4	E568	E568-Y570 PolarHBondContact O-N 3.3Å
571	E	39.4	Very low	43.5	Very low	198 Å²	198	126.8 Å²	126.8	93%	0.925	68%	0.679	S	S	*	*			trans	-92.5	142.6	163.9	-78	-156.4	132.2	0	0	112.7	D569	D569-E571 PolarHBondContact O-N 2.94Å
572	E	36.2	Very low	41.9	Very low	205 Å²	205	130.3 Å²	130.3	96%	0.958	71%	0.71	S	S	*	*			trans	-105.8	120.3	-165.7	-175.9	175.3	-140.7	0	0	110.2
573	G	34.4	Very low	40.8	Very low	80 Å²	80	130.2 Å²	130.2	83%	0.825	72%	0.717	S	S	*	*			trans	-175.5	84.8	-175.5	0	0	0	0	0	115.2
574	A	34.8	Very low	39.6	Very low	98 Å²	98	124.7 Å²	124.7	81%	0.81	71%	0.714	S	S	*	*			trans	-135.8	113.3	175.1	0	0	0	0	0	112.1
575	E	32	Very low	38.2	Very low	190 Å²	190	128.3 Å²	128.3	89%	0.888	74%	0.742	S	S	*	*			trans	-159.1	154.7	157.9	-120.9	-165.3	-138.8	0	0	110.3
576	P	39.9	Very low	36.6	Very low	106 Å²	106	133.9 Å²	133.9	69%	0.688	78%	0.776	S	S	*	*				-124.9	152.6	-80	37.4	-27.6	0	0	0	114.1
577	Q	31.9	Very low	35.2	Very low	194 Å²	194	134.7 Å²	134.7	91%	0.907	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-95.5	127.3	165.4	-70.8	-169.4	0.5	0	0	111.3
578	T	27.8	Very low	34.5	Very low	143 Å²	143	138.2 Å²	138.2	88%	0.877	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-76.5	129.2	179.5	-25.4	0	0	0	0	111.3
579	P	37.4	Very low	33.9	Very low	106 Å²	106	140.6 Å²	140.6	69%	0.688	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-104	145	-170.6	37.3	-34.4	0	0	0	115
580	T	28.5	Very low	34.6	Very low	135 Å²	135	138.6 Å²	138.6	83%	0.828	82%	0.821	S	S	*	*			trans	-168.5	156.6	153.5	28	0	0	0	0	109.5
581	Q	31.4	Very low	33.9	Very low	183 Å²	183	134 Å²	134	86%	0.855	82%	0.82	S	S	*	*				-168.1	173.4	-50.7	-117	-179.9	1.1	0	0	107.2
582	A	34.6	Very low	33.6	Very low	104 Å²	104	133 Å²	133	86%	0.86	82%	0.815	S	S	*	*			trans	-83.3	-178.7	-174.8	0	0	0	0	0	114.6
583	A	36.5	Very low	33.3	Very low	97 Å²	97	129.5 Å²	129.5	80%	0.802	81%	0.808	S	S	*	*			trans	-68.1	153.9	-164.6	0	0	0	0	0	117.4
584	A	33.5	Very low	34.2	Very low	86 Å²	86	131.2 Å²	131.2	71%	0.711	80%	0.804	S	S	*	*			trans	65.6	104	145.5	0	0	0	0	0	121.2
585	S	31.5	Very low	33.8	Very low	103 Å²	103	133.4 Å²	133.4	72%	0.72	81%	0.808	S	S	*	*			trans	62.9	112.7	137.8	60.2	0	0	0	0	122.4
586	N	30.8	Very low	33.9	Very low	169 Å²	169	132.3 Å²	132.3	90%	0.904	80%	0.803	S	S	*	*			trans	59.3	120.5	138	-57.2	-8.6	0	0	0	121
587	G	30.9	Very low	33.6	Very low	77 Å²	77	134.8 Å²	134.8	79%	0.794	81%	0.805	S	S	*	*			trans	164.2	51.6	160.7	0	0	0	0	0	122.1
588	V	31.3	Very low	33.6	Very low	137 Å²	137	132 Å²	132	83%	0.83	80%	0.796	S	S	*	*			trans	24.6	99.6	150.1	-171.3	0	0	0	0	120.7
589	Q	31.1	Very low	33.9	Very low	182 Å²	182	129.4 Å²	129.4	85%	0.85	79%	0.79	S	S	*	*				66.7	167	124.9	-99.6	-165.5	-16.1	0	0	122.6
590	P	51.6	Low	33.6	Very low	108 Å²	108	132.4 Å²	132.4	70%	0.701	80%	0.8	S	S	*	*				-139.8	-177.4	-121.6	44.6	-25.4	0	0	0	118.2
591	S	26.4	Very low	33.9	Very low	113 Å²	113	135 Å²	135	79%	0.79	80%	0.802	S	S	*	*			trans	-174.3	117.7	139	30	0	0	0	0	117.7
592	Q	33.3	Very low	34.1	Very low	177 Å²	177	135.7 Å²	135.7	83%	0.827	81%	0.806	S	S	*	*			trans	48.6	127.3	133.5	-68	-176.9	-17.9	0	0	126.9
593	T	30.5	Very low	33.9	Very low	131 Å²	131	135.7 Å²	135.7	80%	0.804	80%	0.8	S	S	*	*			trans	90.6	150.3	133.4	50	0	0	0	0	124
594	P	53.1	Low	34.3	Very low	117 Å²	117	137.1 Å²	137.1	76%	0.76	80%	0.801	S	S	*	*			trans	-139.3	-175.4	-150	45.2	-26.6	0	0	0	117.8
595	T	25.7	Very low	34.8	Very low	143 Å²	143	141.5 Å²	141.5	88%	0.877	81%	0.806	S	S	*	*			trans	-154.2	166.2	159.2	4	0	0	0	0	115.6
596	Q	34.2	Very low	35.7	Very low	168 Å²	168	142.7 Å²	142.7	79%	0.785	80%	0.801	S	S	*	*			trans	-80.3	-179.9	-179.2	-60.4	161	-41.4	0	0	112.1
597	Q	34.6	Very low	37	Very low	157 Å²	157	138.2 Å²	138.2	73%	0.734	78%	0.78	S	S	*	*			cis	-154.4	-165.7	11.7	-141.7	176.4	12	0	0	106.9
598	N	32	Very low	38.7	Very low	135 Å²	135	136.2 Å²	136.2	72%	0.722	75%	0.75	S	S	*	*			cis	-159.4	-175.9	7.9	-149	-11.9	0	0	0	111.9
599	A	32.4	Very low	40.2	Very low	90 Å²	90	134.8 Å²	134.8	74%	0.744	74%	0.735	S	S	*	*			trans	-130.7	167.6	-179.1	0	0	0	0	0	114.6
600	N	31.8	Very low	42.1	Very low	169 Å²	169	126.7 Å²	126.7	90%	0.904	70%	0.697	S	S	*	*			trans	-153.6	153.3	167.7	-149.3	3.6	0	0	0	110.6
601	Q	36	Very low	43.2	Very low	188 Å²	188	123 Å²	123	88%	0.879	68%	0.678	S	S	*	*			trans	-96.5	154	-166.2	-71.7	176.4	-57.2	0	0	115.6
602	Q	35.1	Very low	45.5	Very low	199 Å²	199	122.7 Å²	122.7	93%	0.93	67%	0.666	S	S	*	*			trans	-138.1	155.8	167.1	-115	172.7	-41.8	0	0	110.2
603	S	30.7	Very low	47.7	Very low	104 Å²	104	122.1 Å²	122.1	73%	0.727	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-85.8	149.2	-177	50.6	0	0	0	0	112.9
604	P	43.8	Very low	50.1	Low	126 Å²	126	119.5 Å²	119.5	82%	0.818	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-69.9	140.2	-175.2	28.8	-35.6	0	0	0	113.2
605	E	43.3	Very low	51.4	Low	178 Å²	178	113.9 Å²	113.9	83%	0.832	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-86	148.1	164.9	-64.7	-171.6	116	0	0	109.9
606	Q	52.3	Low	54.1	Low	129 Å²	129	110 Å²	110	60%	0.603	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-102.7	138.7	171.4	-62.9	-176.7	-49.5	0	0	109.6	W565	W565-Q606 HydrophobicContact CE3-CB 3.79Å; W565-Q606 HydrophobicContact CZ3-CB 4.48Å; W565-Q606 WeakPolarHBondContact CZ3-O 3.47Å
607	T	58	Low	56.5	Low	75 Å²	75	110 Å²	110	46%	0.46	57%	0.572	S	S	.	*	B	Isolated β-bridge	trans	-112	157	-177.3	57	0	0	0	0	111.9	H566	H566-T607 PolarHBondContact N-O 3.36Å; H566-T607 PolarHBondContact O-N 2.81Å
608	N	65	Low	58.8	Low	34 Å²	34	104.3 Å²	104.3	18%	0.182	55%	0.546	C	S	.	.			trans	-148.3	122.4	179.8	-175.7	-50.5	0	0	0	108.6	S558 E564 W565 F610	S558-N608 PolarHBondContact O-ND2 2.87Å; E564-N608 PolarHBondContact O-ND2 2.89Å; W565-N608 HydrophobicContact CD2-CB 4.02Å; W565-N608 VanDerWaalsContact CE2-ND2 3.33Å; W565-N608 HydrophobicContact CE3-CB 3.92Å; W565-N608 HydrophobicContact CH2-CB 3.69Å; W565-N608 HydrophobicContact CZ2-CB 3.77Å; W565-N608 HydrophobicContact CZ3-CB 3.79Å; W565-N608 PolarHBondContact NE1-ND2 3.06Å; N608-F610 VanDerWaalsContact C-N 3.35Å; N608-F610 PolarHBondContact OD1-N 3.48Å
609	E	64.2	Low	61.3	Low	107 Å²	107	98.5 Å²	98.5	50%	0.5	52%	0.515	S	S	.	.	S	Bend	trans	-77.5	-19.5	-172.1	-58.9	-169	150.6	0	0	113.3	G611 N614	E609-G611 VanDerWaalsContact C-N 3.3Å; E609-G611 PolarHBondContact O-N 3.25Å; E609-N614 WeakPolarHBondContact O-CB 3.15Å; E609-N614 PolarHBondContact O-ND2 2.9Å
610	F	71.3	Confident	63.8	Low	13 Å²	13	96.6 Å²	96.6	6%	0.057	49%	0.493	C	S	.	.			trans	-85.2	66.5	-178.6	-78.4	-78.1	0	0	0	112.2	L554 F555 S558 N608 F618 I630 P632	L554-F610 HydrophobicContact CD2-CD1 3.46Å; L554-F610 VanDerWaalsContact CD2-CD1 3.46Å; L554-F610 HydrophobicContact CD2-CE1 3.76Å; L554-F610 HydrophobicContact CD2-CG 4.15Å; F555-F610 VanDerWaalsContact CD2-O 3.31Å; F555-F610 WeakPolarHBondContact CD2-O 3.34Å; S558-F610 VanDerWaalsContact OG-CB 3.24Å; S558-F610 WeakPolarHBondContact OG-CB 3.33Å; N608-F610 VanDerWaalsContact C-N 3.35Å; N608-F610 PolarHBondContact OD1-N 3.48Å; F610-F618 HydrophobicContact CE1-CB 4.17Å; F610-F618 HydrophobicContact CE1-CD1 4.42Å; F610-F618 HydrophobicContact CE1-CD2 4.32Å; F610-F618 HydrophobicContact CE1-CG 4.05Å; F610-I630 HydrophobicContact CD1-CD1 4.23Å; F610-I630 HydrophobicContact CE1-CD1 3.81Å; F610-I630 HydrophobicContact CE1-CG1 4.3Å; F610-I630 HydrophobicContact CZ-CB 4.3Å; F610-I630 HydrophobicContact CZ-CD1 4.24Å; F610-I630 HydrophobicContact CZ-CG1 4.34Å; F610-P632 HydrophobicContact CE2-CB 4.41Å; F610-P632 HydrophobicContact CZ-CB 4.38Å
611	G	72.8	Confident	66.3	Low	29 Å²	29	89 Å²	89	30%	0.299	45%	0.454	S	S	.	.			trans	-63.9	168.2	162.6	0	0	0	0	0	112.7	E609 F613 N614 S615	E609-G611 VanDerWaalsContact C-N 3.3Å; E609-G611 PolarHBondContact O-N 3.25Å; G611-F613 PolarHBondContact O-N 2.97Å; G611-N614 PolarHBondContact O-N 3.49Å; G611-N614 VanDerWaalsContact O-N 3.17Å; G611-S615 WeakPolarHBondContact O-CB 3.43Å; G611-S615 PolarHBondContact O-N 3.3Å; G611-S615 PolarHBondContact O-OG 3.37Å
612	I	74.8	Confident	68.5	Low	107 Å²	107	82.8 Å²	82.8	55%	0.549	44%	0.435	S	S	.	.	H	α-helix	trans	-56.3	-48	-179.4	-63.5	173.7	0	0	0	111.5	F555 L616	F555-I612 HydrophobicContact CD1-CG1 3.93Å; F555-I612 HydrophobicContact CD2-CB 4.49Å; F555-I612 HydrophobicContact CD2-CG1 3.76Å; F555-I612 HydrophobicContact CE1-CD1 4.09Å; F555-I612 HydrophobicContact CE1-CG1 3.69Å; F555-I612 HydrophobicContact CE2-CD1 4.5Å; F555-I612 HydrophobicContact CE2-CG1 3.53Å; F555-I612 HydrophobicContact CG-CG1 3.97Å; F555-I612 HydrophobicContact CZ-CD1 4.01Å; F555-I612 HydrophobicContact CZ-CG1 3.49Å; F555-I612 VanDerWaalsContact CZ-CG1 3.49Å; I612-L616 WeakPolarHBondContact O-CB 3.46Å; I612-L616 PolarHBondContact O-N 3.3Å; I612-L616 VanDerWaalsContact O-N 3.1Å
613	F	79.8	Confident	71	Confident	165 Å²	165	79.3 Å²	79.3	72%	0.724	42%	0.417	S	S	*	.	H	α-helix	trans	-67.7	-36.3	178.4	-70.1	-78.4	0	0	0	112.6	G611 L616 W617	G611-F613 PolarHBondContact O-N 2.97Å; F613-L616 PolarHBondContact O-N 2.94Å; F613-W617 WeakPolarHBondContact O-CB 3.18Å; F613-W617 PolarHBondContact O-N 3.06Å
614	N	80.9	Confident	73.6	Confident	76 Å²	76	79 Å²	79	41%	0.406	41%	0.405	S	S	.	.	H	α-helix	trans	-70.3	-39.7	179.6	-66.1	7.8	0	0	0	111.1	E609 G611 W617 F618 I630	E609-N614 WeakPolarHBondContact O-CB 3.15Å; E609-N614 PolarHBondContact O-ND2 2.9Å; G611-N614 PolarHBondContact O-N 3.49Å; G611-N614 VanDerWaalsContact O-N 3.17Å; N614-W617 PolarHBondContact O-N 2.85Å; N614-F618 VanDerWaalsContact O-CB 3.3Å; N614-F618 WeakPolarHBondContact O-CB 3.47Å; N614-F618 PolarHBondContact O-N 3.31Å; N614-I630 HydrophobicContact CB-CD1 3.83Å
615	S	79.8	Confident	75.4	Confident	0 Å²	0	81.8 Å²	81.8	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-64	-40.8	174.3	-53.9	0	0	0	0	111.9	G611 S619	G611-S615 WeakPolarHBondContact O-CB 3.43Å; G611-S615 PolarHBondContact O-N 3.3Å; G611-S615 PolarHBondContact O-OG 3.37Å; S615-S619 PolarHBondContact O-N 3.2Å; S615-S619 VanDerWaalsContact O-N 3.12Å
616	L	84.1	Confident	77.1	Confident	61 Å²	61	80.5 Å²	80.5	32%	0.319	40%	0.401	S	S	.	.	H	α-helix	trans	-63.2	-48	173.5	-173.1	68	0	0	0	111.2	Y547 S551 I612 F613 S619 L620	Y547-L616 HydrophobicContact CE1-CD1 3.6Å; Y547-L616 HydrophobicContact CE2-CD1 4.41Å; Y547-L616 WeakPolarHBondContact OH-CD1 3.31Å; S551-L616 WeakPolarHBondContact OG-CD1 3.37Å; I612-L616 WeakPolarHBondContact O-CB 3.46Å; I612-L616 PolarHBondContact O-N 3.3Å; I612-L616 VanDerWaalsContact O-N 3.1Å; F613-L616 PolarHBondContact O-N 2.94Å; L616-S619 PolarHBondContact O-N 3.04Å; L616-S619 PolarHBondContact O-OG 3.43Å; L616-L620 PolarHBondContact O-N 2.76Å; L616-L620 VanDerWaalsContact O-N 3.1Å
617	W	83.5	Confident	78	Confident	167 Å²	167	76.6 Å²	76.6	63%	0.633	40%	0.396	S	S	*	.	H	α-helix	trans	-63	-44.2	178.8	-172.6	-110.3	0	0	0	112.9	F613 N614 S619 L620 G621	F613-W617 WeakPolarHBondContact O-CB 3.18Å; F613-W617 PolarHBondContact O-N 3.06Å; N614-W617 PolarHBondContact O-N 2.85Å; W617-S619 PolarHBondContact O-N 3.29Å; W617-L620 HydrophobicContact CE3-CD2 4.26Å; W617-L620 HydrophobicContact CZ3-CD2 4.15Å; W617-L620 WeakPolarHBondContact O-CB 3.48Å; W617-L620 PolarHBondContact O-N 2.72Å; W617-L620 VanDerWaalsContact O-N 3.15Å; W617-G621 PolarHBondContact O-N 2.87Å
618	F	83.8	Confident	78.9	Confident	39 Å²	39	75 Å²	75	17%	0.171	39%	0.387	C	S	.	.	H	α-helix	trans	-55.8	-48.8	173.8	174.9	-96.1	0	0	0	111.5	L554 F610 N614 L620 G621 A622 C628 I630 P632	L554-F618 HydrophobicContact CD1-CD1 3.68Å; L554-F618 HydrophobicContact CD1-CE1 3.7Å; F610-F618 HydrophobicContact CE1-CB 4.17Å; F610-F618 HydrophobicContact CE1-CD1 4.42Å; F610-F618 HydrophobicContact CE1-CD2 4.32Å; F610-F618 HydrophobicContact CE1-CG 4.05Å; N614-F618 VanDerWaalsContact O-CB 3.3Å; N614-F618 WeakPolarHBondContact O-CB 3.47Å; N614-F618 PolarHBondContact O-N 3.31Å; F618-L620 VanDerWaalsContact C-N 3.26Å; F618-L620 PolarHBondContact O-N 3.47Å; F618-G621 PolarHBondContact O-N 3.33Å; F618-A622 WeakPolarHBondContact O-CB 3.46Å; F618-A622 PolarHBondContact O-N 2.93Å; F618-C628 HydrophobicContact CD2-CB 3.77Å; F618-C628 HydrophobicContact CE2-CB 4.42Å; F618-I630 HydrophobicContact CB-CD1 4.32Å; F618-I630 HydrophobicContact CB-CG1 4.48Å; F618-I630 HydrophobicContact CD2-CG1 4.29Å; F618-I630 VanDerWaalsContact CD2-O 3.25Å; F618-I630 WeakPolarHBondContact CD2-O 3.17Å; F618-I630 VanDerWaalsContact CE2-O 3.3Å; F618-I630 WeakPolarHBondContact CE2-O 3.32Å; F618-P632 HydrophobicContact CE1-CG 4.49Å; F618-P632 VanDerWaalsContact CZ-CD 3.45Å; F618-P632 HydrophobicContact CZ-CG 4.09Å
619	S	83.8	Confident	79.1	Confident	12 Å²	12	81.3 Å²	81.3	8%	0.084	42%	0.421	C	S	.	.	H	α-helix	trans	-63.9	-30.5	179.2	78.8	0	0	0	0	113	Y547 S551 S615 L616 W617 F623	Y547-S619 WeakPolarHBondContact CD2-OG 3.49Å; Y547-S619 WeakPolarHBondContact CE2-OG 3.21Å; S551-S619 PolarHBondContact OG-OG 2.97Å; S615-S619 PolarHBondContact O-N 3.2Å; S615-S619 VanDerWaalsContact O-N 3.12Å; L616-S619 PolarHBondContact O-N 3.04Å; L616-S619 PolarHBondContact O-OG 3.43Å; W617-S619 PolarHBondContact O-N 3.29Å; S619-F623 VanDerWaalsContact O-CB 3.23Å; S619-F623 WeakPolarHBondContact O-CB 3.44Å; S619-F623 PolarHBondContact O-N 2.74Å
620	L	85.6	Confident	79.3	Confident	51 Å²	51	77.8 Å²	77.8	27%	0.267	41%	0.405	S	S	.	.	H	α-helix	trans	-73.6	-47.1	177	-172.2	62.8	0	0	0	111.8	Y547 L616 W617 F618 A622 F623 M624	Y547-L620 HydrophobicContact CE2-CB 3.91Å; Y547-L620 HydrophobicContact CE2-CD1 4.06Å; L616-L620 PolarHBondContact O-N 2.76Å; L616-L620 VanDerWaalsContact O-N 3.1Å; W617-L620 HydrophobicContact CE3-CD2 4.26Å; W617-L620 HydrophobicContact CZ3-CD2 4.15Å; W617-L620 WeakPolarHBondContact O-CB 3.48Å; W617-L620 PolarHBondContact O-N 2.72Å; W617-L620 VanDerWaalsContact O-N 3.15Å; F618-L620 VanDerWaalsContact C-N 3.26Å; F618-L620 PolarHBondContact O-N 3.47Å; L620-A622 VanDerWaalsContact C-N 3.29Å; L620-A622 PolarHBondContact O-N 3.27Å; L620-F623 PolarHBondContact O-N 3.03Å; L620-M624 HydrophobicContact CD1-CG 4.32Å; L620-M624 HydrophobicContact CD1-SD 4.06Å; L620-M624 HydrophobicContact CG-SD 4.21Å; L620-M624 WeakPolarHBondContact O-CB 3.41Å; L620-M624 WeakPolarHBondContact O-CG 3.44Å; L620-M624 PolarHBondContact O-N 3.03Å
621	G	83.1	Confident	79.3	Confident	10 Å²	10	81.5 Å²	81.5	10%	0.103	43%	0.432	C	S	.	.	H	α-helix	trans	-61.8	-36.8	176.1	0	0	0	0	0	112.7	W617 F618 Q625 Q626 G627	W617-G621 PolarHBondContact O-N 2.87Å; F618-G621 PolarHBondContact O-N 3.33Å; G621-Q625 PolarHBondContact O-N 2.8Å; G621-Q626 PolarHBondContact O-N 3Å; G621-G627 CarbonylContact C-O 3.58Å; G621-G627 VanDerWaalsContact CA-O 3.32Å; G621-G627 WeakPolarHBondContact CA-O 3.37Å; G621-G627 PolarHBondContact O-N 3.44Å; G621-G627 VanDerWaalsContact O-N 3.11Å
622	A	83.3	Confident	79.2	Confident	57 Å²	57	83 Å²	83	47%	0.471	44%	0.437	S	S	.	.	H	α-helix	trans	-66.4	-48.8	170.9	0	0	0	0	0	112.4	F618 L620 M624 Q625	F618-A622 WeakPolarHBondContact O-CB 3.46Å; F618-A622 PolarHBondContact O-N 2.93Å; L620-A622 VanDerWaalsContact C-N 3.29Å; L620-A622 PolarHBondContact O-N 3.27Å; A622-M624 VanDerWaalsContact C-N 3.34Å; A622-M624 PolarHBondContact O-N 3.21Å; A622-Q625 PolarHBondContact O-N 3.32Å; A622-Q625 VanDerWaalsContact O-N 3.11Å
623	F	86.4	Confident	78.5	Confident	125 Å²	125	89.1 Å²	89.1	55%	0.548	45%	0.453	S	S	.	.	H	α-helix	trans	-62	-39.3	179.5	179.5	-101.1	0	0	0	112.8	I543 S619 L620 Q625	I543-F623 HydrophobicContact CG2-CE2 4.01Å; I543-F623 HydrophobicContact CG2-CZ 3.72Å; S619-F623 VanDerWaalsContact O-CB 3.23Å; S619-F623 WeakPolarHBondContact O-CB 3.44Å; S619-F623 PolarHBondContact O-N 2.74Å; L620-F623 PolarHBondContact O-N 3.03Å; F623-Q625 PolarHBondContact O-N 2.94Å
624	M	85.7	Confident	78.5	Confident	99 Å²	99	85.4 Å²	85.4	49%	0.488	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	2.1	177.1	-66.5	-172.9	62.8	0	0	114	L620 A622 Q626	L620-M624 HydrophobicContact CD1-CG 4.32Å; L620-M624 HydrophobicContact CD1-SD 4.06Å; L620-M624 HydrophobicContact CG-SD 4.21Å; L620-M624 WeakPolarHBondContact O-CB 3.41Å; L620-M624 WeakPolarHBondContact O-CG 3.44Å; L620-M624 PolarHBondContact O-N 3.03Å; A622-M624 VanDerWaalsContact C-N 3.34Å; A622-M624 PolarHBondContact O-N 3.21Å; M624-Q626 HydrophobicContact CB-CG 4.35Å; M624-Q626 PolarHBondContact O-N 3.34Å
625	Q	82.5	Confident	78.4	Confident	183 Å²	183	85.8 Å²	85.8	86%	0.855	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	25.9	-178.9	-53.2	-179.3	0.9	0	0	114.3	G621 A622 F623	G621-Q625 PolarHBondContact O-N 2.8Å; A622-Q625 PolarHBondContact O-N 3.32Å; A622-Q625 VanDerWaalsContact O-N 3.11Å; F623-Q625 PolarHBondContact O-N 2.94Å
626	Q	78.7	Confident	78.3	Confident	152 Å²	152	90.6 Å²	90.6	71%	0.71	47%	0.466	S	S	*	.			trans	-97.5	-13.1	-179.8	-69.3	178.6	2.2	0	0	113	G621 M624	G621-Q626 PolarHBondContact O-N 3Å; M624-Q626 HydrophobicContact CB-CG 4.35Å; M624-Q626 PolarHBondContact O-N 3.34Å
627	G	71.8	Confident	77.9	Confident	47 Å²	47	92.4 Å²	92.4	49%	0.485	48%	0.475	S	S	.	.			trans	83.2	-175.8	-177	0	0	0	0	0	112.8	G621	G621-G627 CarbonylContact C-O 3.58Å; G621-G627 VanDerWaalsContact CA-O 3.32Å; G621-G627 WeakPolarHBondContact CA-O 3.37Å; G621-G627 PolarHBondContact O-N 3.44Å; G621-G627 VanDerWaalsContact O-N 3.11Å
628	C	75.1	Confident	77.6	Confident	40 Å²	40	87.7 Å²	87.7	27%	0.27	47%	0.465	S	S	.	.			trans	-155.7	150.7	175.1	-157.6	0	0	0	0	109	F618 I630	F618-C628 HydrophobicContact CD2-CB 3.77Å; F618-C628 HydrophobicContact CE2-CB 4.42Å; C628-I630 VanDerWaalsContact C-N 3.31Å
629	D	69.9	Low	77.2	Confident	168 Å²	168	90.9 Å²	90.9	90%	0.898	49%	0.485	S	S	*	.	S	Bend	trans	-75.4	-21.7	-177.2	-53	-61.7	0	0	0	112.9
630	I	68.9	Low	76.7	Confident	33 Å²	33	96.6 Å²	96.6	17%	0.169	51%	0.513	C	S	.	.			trans	-95.7	146.8	172.1	53.9	174.4	0	0	0	110.8	F610 N614 F618 C628	F610-I630 HydrophobicContact CD1-CD1 4.23Å; F610-I630 HydrophobicContact CE1-CD1 3.81Å; F610-I630 HydrophobicContact CE1-CG1 4.3Å; F610-I630 HydrophobicContact CZ-CB 4.3Å; F610-I630 HydrophobicContact CZ-CD1 4.24Å; F610-I630 HydrophobicContact CZ-CG1 4.34Å; N614-I630 HydrophobicContact CB-CD1 3.83Å; F618-I630 HydrophobicContact CB-CD1 4.32Å; F618-I630 HydrophobicContact CB-CG1 4.48Å; F618-I630 HydrophobicContact CD2-CG1 4.29Å; F618-I630 VanDerWaalsContact CD2-O 3.25Å; F618-I630 WeakPolarHBondContact CD2-O 3.17Å; F618-I630 VanDerWaalsContact CE2-O 3.3Å; F618-I630 WeakPolarHBondContact CE2-O 3.32Å; C628-I630 VanDerWaalsContact C-N 3.31Å
631	S	71	Confident	76	Confident	90 Å²	90	100.1 Å²	100.1	63%	0.629	53%	0.532	S	S	*	.			trans	-141	139.3	177.6	54.4	0	0	0	0	111.5
632	P	71.1	Confident	75.4	Confident	62 Å²	62	107.6 Å²	107.6	40%	0.403	57%	0.568	S	S	.	*			trans	-67.8	149.3	171.6	29.9	-34.4	0	0	0	110.1	F610 F618	F610-P632 HydrophobicContact CE2-CB 4.41Å; F610-P632 HydrophobicContact CZ-CB 4.38Å; F618-P632 HydrophobicContact CE1-CG 4.49Å; F618-P632 VanDerWaalsContact CZ-CD 3.45Å; F618-P632 HydrophobicContact CZ-CG 4.09Å
633	R	60.7	Low	74.7	Confident	235 Å²	235	112.2 Å²	112.2	89%	0.887	58%	0.577	S	S	*	*			trans	-91.8	0	-176	-77	-176.7	167.4	-172.3	-3.6	113.4

Retrieved 633 of 633 residues in 135.4 ms (Link to these results)

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