Q9ASD8_ORYSJ Loading...

Os01g0711200 protein

AlphaFold DB , UniProt , Accession Q9ASD8, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene n/a, Length 656 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	39.1	Very low	41.1	Very low	244 Å²	244	175.4 Å²	175.4	100%	1.202	92%	0.916	S	S	*	*				0	53.1	0	-76.2	-163.7	173.4	0	0	111.2	L3	M1-L3 VanDerWaalsContact C-N 3.32Å; M1-L3 PolarHBondContact O-N 2.77Å
2	A	41.6	Very low	41	Very low	106 Å²	106	168 Å²	168	88%	0.876	90%	0.899	S	S	*	*			trans	-92.4	49.8	-171.1	0	0	0	0	0	112.7
3	L	42.5	Very low	40.9	Very low	168 Å²	168	171.2 Å²	171.2	88%	0.88	90%	0.901	S	S	*	*			trans	-137.1	38.7	-174	-140.2	93.9	0	0	0	113.9	M1	M1-L3 VanDerWaalsContact C-N 3.32Å; M1-L3 PolarHBondContact O-N 2.77Å
4	R	47.7	Very low	41	Very low	245 Å²	245	167 Å²	167	93%	0.925	89%	0.889	S	S	*	*	S	Bend	trans	-133.1	13.9	-179.1	-82.3	-168.6	174.7	176.6	-1.1	116.9
5	V	44.7	Very low	41	Very low	144 Å²	144	162.5 Å²	162.5	87%	0.873	89%	0.885	S	S	*	*	S	Bend	trans	-117.8	3.2	-177.3	-172.7	0	0	0	0	114.4
6	L	41.8	Very low	41.1	Very low	171 Å²	171	158.9 Å²	158.9	90%	0.895	88%	0.875	S	S	*	*	S	Bend	trans	-104	40	-175.9	-139.2	102.4	0	0	0	115.2
7	F	39.8	Very low	41	Very low	208 Å²	208	156.8 Å²	156.8	91%	0.912	87%	0.873	S	S	*	*	S	Bend	trans	-132.3	22.8	-178.8	-104.2	-73.6	0	0	0	116.4
8	L	39.3	Very low	41	Very low	158 Å²	158	157.1 Å²	157.1	83%	0.827	87%	0.871	S	S	*	*	S	Bend	trans	-131.9	31.1	-176.8	-81.6	170.3	0	0	0	116.2
9	M	37	Very low	41.1	Very low	186 Å²	186	153.7 Å²	153.7	92%	0.916	87%	0.866	S	S	*	*	S	Bend	trans	-133.4	31.9	176.6	-70	-64.6	-96.7	0	0	115.7
10	L	39.8	Very low	41.3	Very low	185 Å²	185	152.5 Å²	152.5	97%	0.969	86%	0.862	S	S	*	*			trans	-137.2	65.5	171.4	-84	159.1	0	0	0	111
11	S	38.5	Very low	41.6	Very low	114 Å²	114	149.5 Å²	149.5	80%	0.797	86%	0.856	S	S	*	*			trans	-150.7	67.3	168.7	66	0	0	0	0	111.4
12	A	40.5	Very low	42.3	Very low	87 Å²	87	141.8 Å²	141.8	72%	0.719	83%	0.831	S	S	*	*			trans	-161.8	63.4	167.1	0	0	0	0	0	111.9
13	F	39.5	Very low	42.9	Very low	209 Å²	209	142.7 Å²	142.7	92%	0.917	83%	0.828	S	S	*	*			trans	-131	123.8	151.1	-86.3	-79.7	0	0	0	108
14	P	42.4	Very low	44.1	Very low	113 Å²	113	139.1 Å²	139.1	73%	0.734	81%	0.809	S	S	*	*			trans	-69.8	141.9	-170.5	29.6	-32.3	0	0	0	109.1	S16	P14-S16 PolarHBondContact O-N 2.82Å
15	A	41.4	Very low	45.7	Very low	100 Å²	100	128.2 Å²	128.2	83%	0.826	77%	0.77	S	S	*	*			trans	-58.7	86.7	167.6	0	0	0	0	0	109	C17	A15-C17 PolarHBondContact O-N 2.87Å
16	S	42.6	Very low	47.7	Very low	105 Å²	105	125.5 Å²	125.5	73%	0.734	76%	0.756	S	S	*	*			trans	-54.4	111.2	157.3	41.4	0	0	0	0	105.6	P14 L18	P14-S16 PolarHBondContact O-N 2.82Å; S16-L18 PolarHBondContact O-N 2.72Å
17	C	38.6	Very low	50.1	Low	123 Å²	123	117.5 Å²	117.5	83%	0.831	71%	0.713	S	S	*	*			trans	-39.7	108	173.1	-73.8	0	0	0	0	108.4	A15 A19	A15-C17 PolarHBondContact O-N 2.87Å; C17-A19 PolarHBondContact O-N 2.84Å
18	L	40.9	Very low	52.6	Low	161 Å²	161	107.6 Å²	107.6	84%	0.843	67%	0.67	S	S	*	*			trans	-58.2	99.6	157.8	-79.1	161	0	0	0	103.9	S16 V20	S16-L18 PolarHBondContact O-N 2.72Å; L18-V20 PolarHBondContact O-N 2.69Å
19	A	43.4	Very low	55.2	Low	94 Å²	94	104.5 Å²	104.5	78%	0.777	66%	0.658	S	S	*	*			trans	-57.9	92.6	164.1	0	0	0	0	0	104.7	C17 A21	C17-A19 PolarHBondContact O-N 2.84Å; A19-A21 PolarHBondContact O-N 2.97Å
20	V	44.8	Very low	58	Low	129 Å²	129	96.4 Å²	96.4	78%	0.782	62%	0.619	S	S	*	*			trans	-53.5	109.5	170.1	175.5	0	0	0	0	103.8	L18 A22	L18-V20 PolarHBondContact O-N 2.69Å; V20-A22 PolarHBondContact O-N 3.36Å
21	A	47.6	Very low	60.7	Low	89 Å²	89	87.6 Å²	87.6	74%	0.736	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-47.7	119.1	176.7	0	0	0	0	0	106.6	A19	A19-A21 PolarHBondContact O-N 2.97Å
22	A	52.9	Low	63.4	Low	83 Å²	83	83.6 Å²	83.6	69%	0.686	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-53	134.8	179.2	0	0	0	0	0	107.5	V20 I24	V20-A22 PolarHBondContact O-N 3.36Å; A22-I24 PolarHBondContact O-N 2.73Å
23	P	54.8	Low	66	Low	125 Å²	125	81.4 Å²	81.4	81%	0.812	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-55.3	122.7	-178.4	19.7	-30	0	0	0	109.1	S25	P23-S25 PolarHBondContact O-N 3.48Å
24	I	68.1	Low	68.7	Low	92 Å²	92	71.5 Å²	71.5	47%	0.472	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-52.2	127.8	178.5	-66.1	171.5	0	0	0	107.8	A22 A28	A22-I24 PolarHBondContact O-N 2.73Å; I24-A28 HydrophobicContact CG2-CB 3.55Å
25	S	81.1	Confident	71.3	Confident	16 Å²	16	69 Å²	69	11%	0.112	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-52.9	138	177.6	166.5	0	0	0	0	110.4	P23 D27 A28 D53	P23-S25 PolarHBondContact O-N 3.48Å; S25-D27 PolarHBondContact O-N 3.22Å; S25-D27 PolarHBondContact OG-N 2.74Å; S25-A28 VanDerWaalsContact O-CB 3.29Å; S25-A28 WeakPolarHBondContact O-CB 3.26Å; S25-A28 PolarHBondContact O-N 3.35Å; S25-D53 WeakPolarHBondContact CB-OD1 3.4Å
26	P	86.2	Confident	73.8	Confident	88 Å²	88	69 Å²	69	57%	0.571	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-22.9	179	25.3	-35.2	0	0	0	112.4	P30	P26-P30 WeakPolarHBondContact O-CD 3.43Å
27	D	92.7	Very high	76.3	Confident	2 Å²	2	66.5 Å²	66.5	1%	0.011	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-18.3	176.4	-65.9	-14	0	0	0	112.8	S25 P30 L31 R78 V79 L102	S25-D27 PolarHBondContact O-N 3.22Å; S25-D27 PolarHBondContact OG-N 2.74Å; D27-P30 WeakPolarHBondContact O-CD 3.25Å; D27-P30 WeakPolarHBondContact O-CG 3.28Å; D27-L31 WeakPolarHBondContact O-CD1 3.13Å; D27-L31 VanDerWaalsContact O-CG 3.28Å; D27-L31 WeakPolarHBondContact O-CG 3.22Å; D27-R78 VanDerWaalsContact CG-NE 3.33Å; D27-R78 IonicContact OD1-CZ 3.39Å; D27-R78 IonicContact OD1-NE 3.34Å; D27-R78 PolarHBondContact OD1-NE 3.16Å; D27-R78 VanDerWaalsContact OD1-NE 3.1Å; D27-R78 IonicContact OD1-NH2 2.62Å; D27-R78 PolarHBondContact OD1-NH2 3.1Å; D27-R78 WeakPolarHBondContact OD2-CA 3.47Å; D27-R78 IonicContact OD2-CZ 2.89Å; D27-R78 IonicContact OD2-NE 3.76Å; D27-R78 PolarHBondContact OD2-NE 3.42Å; D27-R78 IonicContact OD2-NH2 3.13Å; D27-V79 HydrophobicContact CB-CB 4.1Å; D27-V79 HydrophobicContact CB-CG2 3.58Å; D27-V79 PolarHBondContact OD2-N 2.7Å; D27-L102 HydrophobicContact CB-CD2 3.76Å
28	A	93.3	Very high	78.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-70.5	-33.3	176.5	0	0	0	0	0	111.9	I24 S25 L31 L32 P54 W59	I24-A28 HydrophobicContact CG2-CB 3.55Å; S25-A28 VanDerWaalsContact O-CB 3.29Å; S25-A28 WeakPolarHBondContact O-CB 3.26Å; S25-A28 PolarHBondContact O-N 3.35Å; A28-L31 PolarHBondContact O-N 3.33Å; A28-L32 HydrophobicContact CB-CD1 4.5Å; A28-L32 WeakPolarHBondContact O-CB 3.26Å; A28-L32 VanDerWaalsContact O-CG 3.3Å; A28-L32 WeakPolarHBondContact O-CG 3.44Å; A28-L32 PolarHBondContact O-N 2.72Å; A28-P54 HydrophobicContact CB-CG 4.01Å; A28-W59 HydrophobicContact CB-CH2 4.01Å
29	V	93.5	Very high	81.5	Confident	94 Å²	94	56.4 Å²	56.4	57%	0.57	39%	0.385	S	S	*	.	H	α-helix	trans	-56.9	-56.6	179.6	179	0	0	0	0	112.8	L31 L32 A33	V29-L31 VanDerWaalsContact C-N 3.28Å; V29-L31 PolarHBondContact O-N 3.46Å; V29-L32 PolarHBondContact O-N 2.74Å; V29-A33 WeakPolarHBondContact O-CB 3.42Å; V29-A33 PolarHBondContact O-N 3.35Å
30	P	95.1	Very high	83.9	Confident	15 Å²	15	53.8 Å²	53.8	10%	0.097	36%	0.358	C	S	.	.	H	α-helix	trans	-63.7	-30.8	177.3	23.3	-33.7	0	0	0	113.3	P26 D27 F34 A98 L102	P26-P30 WeakPolarHBondContact O-CD 3.43Å; D27-P30 WeakPolarHBondContact O-CD 3.25Å; D27-P30 WeakPolarHBondContact O-CG 3.28Å; P30-F34 WeakPolarHBondContact O-CB 3.26Å; P30-F34 PolarHBondContact O-N 2.71Å; P30-A98 WeakPolarHBondContact CB-O 3.48Å; P30-L102 HydrophobicContact CB-CD2 4.37Å; P30-L102 HydrophobicContact CB-CG 4.29Å; P30-L102 HydrophobicContact CG-CD2 3.49Å; P30-L102 VanDerWaalsContact CG-CD2 3.49Å; P30-L102 HydrophobicContact CG-CG 3.91Å
31	L	96.3	Very high	86.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-70.6	-41.7	177	-68.5	174.8	0	0	0	112.2	D27 A28 V29 F34 K35 W48 P54 W59 I62 V79 V82 L99 L102	D27-L31 WeakPolarHBondContact O-CD1 3.13Å; D27-L31 VanDerWaalsContact O-CG 3.28Å; D27-L31 WeakPolarHBondContact O-CG 3.22Å; A28-L31 PolarHBondContact O-N 3.33Å; V29-L31 VanDerWaalsContact C-N 3.28Å; V29-L31 PolarHBondContact O-N 3.46Å; L31-F34 WeakPolarHBondContact O-CB 3.15Å; L31-F34 PolarHBondContact O-N 3.46Å; L31-K35 PolarHBondContact O-N 2.79Å; L31-W48 HydrophobicContact CB-CE3 3.94Å; L31-W48 HydrophobicContact CB-CH2 4.48Å; L31-W48 HydrophobicContact CB-CZ3 3.79Å; L31-W48 HydrophobicContact CD2-CH2 3.65Å; L31-W48 HydrophobicContact CD2-CZ2 4.42Å; L31-W48 HydrophobicContact CD2-CZ3 3.75Å; L31-W48 HydrophobicContact CG-CZ3 4.34Å; L31-W48 WeakPolarHBondContact O-CZ3 3.27Å; L31-P54 HydrophobicContact CD1-CB 3.76Å; L31-P54 HydrophobicContact CD1-CG 4.13Å; L31-W59 HydrophobicContact CB-CE3 4.38Å; L31-W59 HydrophobicContact CB-CZ3 3.7Å; L31-W59 HydrophobicContact CD1-CE3 3.9Å; L31-W59 HydrophobicContact CD1-CZ3 3.82Å; L31-W59 HydrophobicContact CG-CZ3 4.42Å; L31-I62 HydrophobicContact CD1-CD1 3.78Å; L31-I62 HydrophobicContact CD1-CG1 4.23Å; L31-I62 HydrophobicContact CD2-CD1 3.73Å; L31-I62 HydrophobicContact CG-CD1 4.44Å; L31-V79 HydrophobicContact CD1-CG2 4.11Å; L31-V82 HydrophobicContact CD2-CG2 4.12Å; L31-L99 HydrophobicContact CD2-CD2 3.74Å; L31-L102 HydrophobicContact CD2-CD1 3.83Å; L31-L102 HydrophobicContact CG-CD1 4.36Å; L31-L102 HydrophobicContact CG-CD2 4.38Å
32	L	95.9	Very high	88	Confident	31 Å²	31	50.3 Å²	50.3	16%	0.162	34%	0.335	C	S	.	.	H	α-helix	trans	-69.9	-36.1	175.7	-69.5	168	0	0	0	111.5	A28 V29 F34 K35 S36 W48 E50 W59	A28-L32 HydrophobicContact CB-CD1 4.5Å; A28-L32 WeakPolarHBondContact O-CB 3.26Å; A28-L32 VanDerWaalsContact O-CG 3.3Å; A28-L32 WeakPolarHBondContact O-CG 3.44Å; A28-L32 PolarHBondContact O-N 2.72Å; V29-L32 PolarHBondContact O-N 2.74Å; L32-F34 VanDerWaalsContact C-N 3.35Å; L32-K35 PolarHBondContact O-N 2.81Å; L32-S36 PolarHBondContact O-N 2.81Å; L32-S36 PolarHBondContact O-OG 3.17Å; L32-W48 HydrophobicContact CD2-CB 4.48Å; L32-E50 HydrophobicContact CD1-CG 3.77Å; L32-W59 HydrophobicContact CD1-CH2 4.32Å; L32-W59 HydrophobicContact CD2-CH2 3.93Å; L32-W59 HydrophobicContact CG-CH2 3.9Å; L32-W59 HydrophobicContact CG-CZ3 4.46Å
33	A	95.4	Very high	89.9	Confident	41 Å²	41	49 Å²	49	34%	0.339	32%	0.324	S	S	.	.	H	α-helix	trans	-63.7	-38.5	170.9	0	0	0	0	0	112.4	V29 S36 A37 A98	V29-A33 WeakPolarHBondContact O-CB 3.42Å; V29-A33 PolarHBondContact O-N 3.35Å; A33-S36 PolarHBondContact O-OG 2.84Å; A33-A37 WeakPolarHBondContact O-CB 3.16Å; A33-A37 PolarHBondContact O-N 2.86Å; A33-A37 VanDerWaalsContact O-N 3.11Å; A33-A98 HydrophobicContact CB-CB 4.02Å
34	F	96.7	Very high	91.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.9	-46.7	170.5	171.3	-93.9	0	0	0	111.3	P30 L31 L32 S36 A37 C38 L45 W48 L84 A95 A98 L99 L110 F115	P30-F34 WeakPolarHBondContact O-CB 3.26Å; P30-F34 PolarHBondContact O-N 2.71Å; L31-F34 WeakPolarHBondContact O-CB 3.15Å; L31-F34 PolarHBondContact O-N 3.46Å; L32-F34 VanDerWaalsContact C-N 3.35Å; F34-S36 VanDerWaalsContact C-N 3.33Å; F34-S36 PolarHBondContact O-N 3.45Å; F34-A37 PolarHBondContact O-N 3.49Å; F34-C38 WeakPolarHBondContact O-CB 3.47Å; F34-C38 PolarHBondContact O-N 2.81Å; F34-C38 VanDerWaalsContact O-N 3.08Å; F34-L45 HydrophobicContact CD1-CD1 4.23Å; F34-L45 HydrophobicContact CE1-CD1 3.99Å; F34-W48 HydrophobicContact CD1-CH2 4.17Å; F34-W48 AromaticContact CD1-CZ3 3.72Å; F34-W48 HydrophobicContact CD1-CZ3 3.72Å; F34-W48 HydrophobicContact CE1-CH2 4.46Å; F34-W48 HydrophobicContact CE1-CZ3 4.37Å; F34-L84 HydrophobicContact CE1-CD1 3.64Å; F34-L84 HydrophobicContact CZ-CD1 4.12Å; F34-A95 HydrophobicContact CD2-CB 4.24Å; F34-A95 WeakPolarHBondContact CD2-O 3.46Å; F34-A95 HydrophobicContact CE2-CB 4.4Å; F34-A98 HydrophobicContact CB-CB 4.09Å; F34-L99 HydrophobicContact CB-CD2 3.68Å; F34-L99 HydrophobicContact CB-CG 3.99Å; F34-L99 HydrophobicContact CD1-CD2 4.32Å; F34-L99 HydrophobicContact CD2-CD1 3.53Å; F34-L99 HydrophobicContact CD2-CD2 3.98Å; F34-L99 HydrophobicContact CD2-CG 3.47Å; F34-L99 VanDerWaalsContact CD2-CG 3.47Å; F34-L99 HydrophobicContact CE2-CD1 3.55Å; F34-L99 HydrophobicContact CE2-CG 4.06Å; F34-L99 HydrophobicContact CG-CD1 4.06Å; F34-L99 HydrophobicContact CG-CD2 3.73Å; F34-L99 HydrophobicContact CG-CG 3.79Å; F34-L99 HydrophobicContact CZ-CD1 4.09Å; F34-L110 HydrophobicContact CE2-CD1 4.16Å; F34-L110 HydrophobicContact CE2-CD2 4.44Å; F34-L110 HydrophobicContact CZ-CD1 4.43Å; F34-L110 HydrophobicContact CZ-CD2 3.97Å; F34-F115 HydrophobicContact CE2-CE1 4.1Å; F34-F115 AromaticContact CE2-CZ 3.95Å; F34-F115 HydrophobicContact CE2-CZ 3.95Å; F34-F115 HydrophobicContact CZ-CE1 4.17Å; F34-F115 AromaticContact CZ-CZ 3.61Å; F34-F115 HydrophobicContact CZ-CZ 3.61Å
35	K	95.8	Very high	92.6	Very high	62 Å²	62	39 Å²	39	27%	0.27	27%	0.265	S	S	.	.	H	α-helix	trans	-59.4	-42.4	178.8	176.1	172	172.5	176	0	111.9	L31 L32 C38 L45 W48	L31-K35 PolarHBondContact O-N 2.79Å; L32-K35 PolarHBondContact O-N 2.81Å; K35-C38 PolarHBondContact O-N 3.21Å; K35-C38 PolarHBondContact O-SG 2.96Å; K35-L45 HydrophobicContact CB-CD1 4.15Å; K35-L45 HydrophobicContact CD-CB 3.98Å; K35-L45 WeakPolarHBondContact CE-O 3.49Å; K35-L45 HydrophobicContact CG-CB 4.25Å; K35-L45 HydrophobicContact CG-CD1 4.18Å; K35-L45 PolarHBondContact NZ-O 2.74Å; K35-W48 HydrophobicContact CB-CE3 4.21Å; K35-W48 HydrophobicContact CD-CB 3.9Å; K35-W48 PolarHBondContact NZ-O 3.46Å
36	S	94.7	Very high	93.2	Very high	99 Å²	99	43 Å²	43	69%	0.692	29%	0.289	S	S	*	.	H	α-helix	trans	-71.4	-29.2	179.6	64.7	0	0	0	0	113.4	L32 A33 F34	L32-S36 PolarHBondContact O-N 2.81Å; L32-S36 PolarHBondContact O-OG 3.17Å; A33-S36 PolarHBondContact O-OG 2.84Å; F34-S36 VanDerWaalsContact C-N 3.33Å; F34-S36 PolarHBondContact O-N 3.45Å
37	A	94.6	Very high	93.4	Very high	52 Å²	52	40.7 Å²	40.7	43%	0.43	28%	0.275	S	S	.	.	H	α-helix	trans	-84.1	-11.7	177.1	0	0	0	0	0	114	A33 F34 A95	A33-A37 WeakPolarHBondContact O-CB 3.16Å; A33-A37 PolarHBondContact O-N 2.86Å; A33-A37 VanDerWaalsContact O-N 3.11Å; F34-A37 PolarHBondContact O-N 3.49Å; A37-A95 HydrophobicContact CB-CB 3.84Å
38	C	93.2	Very high	93.4	Very high	16 Å²	16	40.7 Å²	40.7	11%	0.108	28%	0.275	C	S	.	.	S	Bend	trans	-102	148.3	-175.7	80.7	0	0	0	0	112.8	F34 K35 L45 G90 F115	F34-C38 WeakPolarHBondContact O-CB 3.47Å; F34-C38 PolarHBondContact O-N 2.81Å; F34-C38 VanDerWaalsContact O-N 3.08Å; K35-C38 PolarHBondContact O-N 3.21Å; K35-C38 PolarHBondContact O-SG 2.96Å; C38-L45 VanDerWaalsContact SG-CD1 3.6Å; C38-G90 CarbonylContact C-O 3.4Å; C38-G90 VanDerWaalsContact CA-O 3.27Å; C38-G90 WeakPolarHBondContact CA-O 3.15Å; C38-G90 WeakPolarHBondContact CB-O 3.33Å; C38-F115 HydrophobicContact CB-CE1 4.3Å
39	A	94.6	Very high	93.3	Very high	56 Å²	56	43.4 Å²	43.4	46%	0.463	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-83.6	121.6	166.7	0	0	0	0	0	109.2	P41 L89 G90	A39-P41 WeakPolarHBondContact O-CD 3.41Å; A39-L89 CarbonylContact O-C 3.54Å; A39-L89 WeakPolarHBondContact O-CA 3.29Å; A39-G90 PolarHBondContact N-O 3.45Å; A39-G90 PolarHBondContact O-N 2.93Å
40	D	94.8	Very high	93.1	Very high	40 Å²	40	46 Å²	46	21%	0.214	30%	0.297	C	S	.	.			trans	-124.3	73.9	-178.6	-177.9	15.6	0	0	0	111.6	A42 A43 A44 L45 L89	D40-A42 PolarHBondContact O-N 2.8Å; D40-A43 PolarHBondContact O-N 3.5Å; D40-A43 VanDerWaalsContact O-N 3.17Å; D40-A43 PolarHBondContact OD1-N 3.47Å; D40-A43 WeakPolarHBondContact OD2-CA 3.17Å; D40-A44 VanDerWaalsContact CG-N 3.26Å; D40-A44 PolarHBondContact OD1-N 2.86Å; D40-A44 PolarHBondContact OD2-N 3.22Å; D40-L45 WeakPolarHBondContact OD2-CB 3.31Å; D40-L45 PolarHBondContact OD2-N 3.36Å; D40-L89 HydrophobicContact CB-CD2 3.79Å
41	P	90.7	Very high	92.7	Very high	98 Å²	98	50.2 Å²	50.2	64%	0.636	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-18.9	-174.5	28.4	-35.9	0	0	0	113.5	A39 R88	A39-P41 WeakPolarHBondContact O-CD 3.41Å; P41-R88 WeakPolarHBondContact CD-O 3.42Å; P41-R88 HydrophobicContact CG-CB 4.24Å; P41-R88 WeakPolarHBondContact CG-O 3.23Å
42	A	88.1	Confident	92.3	Very high	46 Å²	46	51.3 Å²	51.3	38%	0.38	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	3	179.8	0	0	0	0	0	112.9	D40 A44	D40-A42 PolarHBondContact O-N 2.8Å; A42-A44 PolarHBondContact O-N 2.8Å; A42-A44 VanDerWaalsContact O-N 3.12Å
43	A	92.7	Very high	91.9	Very high	57 Å²	57	51.5 Å²	51.5	47%	0.471	34%	0.342	S	S	.	.			trans	47.8	35.7	-169.1	0	0	0	0	0	112.2	D40 L45 V46	D40-A43 PolarHBondContact O-N 3.5Å; D40-A43 VanDerWaalsContact O-N 3.17Å; D40-A43 PolarHBondContact OD1-N 3.47Å; D40-A43 WeakPolarHBondContact OD2-CA 3.17Å; A43-L45 PolarHBondContact O-N 3.35Å; A43-V46 HydrophobicContact CB-CB 4.49Å; A43-V46 VanDerWaalsContact O-CB 3.29Å; A43-V46 WeakPolarHBondContact O-CB 3.36Å; A43-V46 WeakPolarHBondContact O-CG1 3.2Å; A43-V46 PolarHBondContact O-N 2.77Å; A43-V46 VanDerWaalsContact O-N 3.11Å
44	A	87.9	Confident	91.6	Very high	5 Å²	5	49.7 Å²	49.7	4%	0.041	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-27.6	-177.3	0	0	0	0	0	112.4	D40 A42 R60 L87	D40-A44 VanDerWaalsContact CG-N 3.26Å; D40-A44 PolarHBondContact OD1-N 2.86Å; D40-A44 PolarHBondContact OD2-N 3.22Å; A42-A44 PolarHBondContact O-N 2.8Å; A42-A44 VanDerWaalsContact O-N 3.12Å; A44-R60 WeakPolarHBondContact O-CD 3.23Å; A44-L87 HydrophobicContact CB-CB 4.06Å; A44-L87 HydrophobicContact CB-CD1 4.1Å; A44-L87 HydrophobicContact CB-CD2 4.41Å; A44-L87 HydrophobicContact CB-CG 4.4Å
45	L	92.6	Very high	91.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	19	178.3	-51.7	-178.4	0	0	0	112.5	F34 K35 C38 D40 A43 S47 W48 L84 L89	F34-L45 HydrophobicContact CD1-CD1 4.23Å; F34-L45 HydrophobicContact CE1-CD1 3.99Å; K35-L45 HydrophobicContact CB-CD1 4.15Å; K35-L45 HydrophobicContact CD-CB 3.98Å; K35-L45 WeakPolarHBondContact CE-O 3.49Å; K35-L45 HydrophobicContact CG-CB 4.25Å; K35-L45 HydrophobicContact CG-CD1 4.18Å; K35-L45 PolarHBondContact NZ-O 2.74Å; C38-L45 VanDerWaalsContact SG-CD1 3.6Å; D40-L45 WeakPolarHBondContact OD2-CB 3.31Å; D40-L45 PolarHBondContact OD2-N 3.36Å; A43-L45 PolarHBondContact O-N 3.35Å; L45-S47 PolarHBondContact O-N 3.5Å; L45-S47 VanDerWaalsContact O-N 3.14Å; L45-W48 HydrophobicContact CB-CD2 4.4Å; L45-W48 HydrophobicContact CB-CG 4.38Å; L45-W48 HydrophobicContact CD1-CE3 4.42Å; L45-W48 HydrophobicContact CD1-CZ3 4.49Å; L45-W48 HydrophobicContact CD2-CD2 4.22Å; L45-W48 HydrophobicContact CD2-CH2 4.34Å; L45-W48 HydrophobicContact CD2-CZ2 4.01Å; L45-W48 WeakPolarHBondContact O-CB 3.48Å; L45-W48 PolarHBondContact O-N 3.43Å; L45-L84 HydrophobicContact CD2-CD1 3.95Å; L45-L84 HydrophobicContact CD2-CD2 3.75Å; L45-L89 HydrophobicContact CD1-CD2 4.12Å; L45-L89 HydrophobicContact CD2-CD1 4.39Å; L45-L89 HydrophobicContact CG-CD2 4.11Å
46	V	92.4	Very high	90.6	Very high	101 Å²	101	52.1 Å²	52.1	61%	0.612	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-33.8	-179.8	66.7	0	0	0	0	112.9	A43 W48 T49	A43-V46 HydrophobicContact CB-CB 4.49Å; A43-V46 VanDerWaalsContact O-CB 3.29Å; A43-V46 WeakPolarHBondContact O-CB 3.36Å; A43-V46 WeakPolarHBondContact O-CG1 3.2Å; A43-V46 PolarHBondContact O-N 2.77Å; A43-V46 VanDerWaalsContact O-N 3.11Å; V46-W48 PolarHBondContact O-N 3.42Å; V46-T49 WeakPolarHBondContact O-CG2 3.39Å
47	S	90.1	Very high	89.7	Confident	40 Å²	40	51.5 Å²	51.5	28%	0.28	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-13.2	-179.9	76.8	0	0	0	0	113.8	L45 T49 W59 R60	L45-S47 PolarHBondContact O-N 3.5Å; L45-S47 VanDerWaalsContact O-N 3.14Å; S47-T49 PolarHBondContact O-N 2.75Å; S47-W59 VanDerWaalsContact O-CD1 3.23Å; S47-W59 PolarHBondContact O-NE1 3.01Å; S47-W59 VanDerWaalsContact O-NE1 3.16Å; S47-R60 PolarHBondContact OG-N 2.81Å
48	W	93.3	Very high	89	Confident	1 Å²	1	59.7 Å²	59.7	0%	0.004	36%	0.36	C	S	.	.			trans	-87.4	99	-179.4	-63	16.6	0	0	0	109	L31 L32 F34 K35 L45 V46 W59 R60 I62 L84	L31-W48 HydrophobicContact CB-CE3 3.94Å; L31-W48 HydrophobicContact CB-CH2 4.48Å; L31-W48 HydrophobicContact CB-CZ3 3.79Å; L31-W48 HydrophobicContact CD2-CH2 3.65Å; L31-W48 HydrophobicContact CD2-CZ2 4.42Å; L31-W48 HydrophobicContact CD2-CZ3 3.75Å; L31-W48 HydrophobicContact CG-CZ3 4.34Å; L31-W48 WeakPolarHBondContact O-CZ3 3.27Å; L32-W48 HydrophobicContact CD2-CB 4.48Å; F34-W48 HydrophobicContact CD1-CH2 4.17Å; F34-W48 AromaticContact CD1-CZ3 3.72Å; F34-W48 HydrophobicContact CD1-CZ3 3.72Å; F34-W48 HydrophobicContact CE1-CH2 4.46Å; F34-W48 HydrophobicContact CE1-CZ3 4.37Å; K35-W48 HydrophobicContact CB-CE3 4.21Å; K35-W48 HydrophobicContact CD-CB 3.9Å; K35-W48 PolarHBondContact NZ-O 3.46Å; L45-W48 HydrophobicContact CB-CD2 4.4Å; L45-W48 HydrophobicContact CB-CG 4.38Å; L45-W48 HydrophobicContact CD1-CE3 4.42Å; L45-W48 HydrophobicContact CD1-CZ3 4.49Å; L45-W48 HydrophobicContact CD2-CD2 4.22Å; L45-W48 HydrophobicContact CD2-CH2 4.34Å; L45-W48 HydrophobicContact CD2-CZ2 4.01Å; L45-W48 WeakPolarHBondContact O-CB 3.48Å; L45-W48 PolarHBondContact O-N 3.43Å; V46-W48 PolarHBondContact O-N 3.42Å; W48-W59 HydrophobicContact CB-CD2 3.96Å; W48-W59 HydrophobicContact CB-CE3 3.65Å; W48-W59 HydrophobicContact CB-CH2 4.14Å; W48-W59 HydrophobicContact CB-CZ2 4.4Å; W48-W59 HydrophobicContact CB-CZ3 3.74Å; W48-W59 AromaticContact CD1-CD2 3.61Å; W48-W59 AromaticContact CD1-CE3 3.52Å; W48-W59 AromaticContact CD1-CG 3.64Å; W48-W59 HydrophobicContact CD2-CD2 4.45Å; W48-W59 AromaticContact CD2-CE3 3.6Å; W48-W59 HydrophobicContact CD2-CE3 3.6Å; W48-W59 HydrophobicContact CD2-CZ3 4.01Å; W48-W59 AromaticContact CE2-CE3 4Å; W48-W59 HydrophobicContact CE3-CE3 4.23Å; W48-W59 HydrophobicContact CE3-CZ3 4.23Å; W48-W59 AromaticContact CG-CD2 3.74Å; W48-W59 HydrophobicContact CG-CD2 3.74Å; W48-W59 AromaticContact CG-CE3 3.29Å; W48-W59 HydrophobicContact CG-CE3 3.29Å; W48-W59 HydrophobicContact CG-CG 4.25Å; W48-W59 AromaticContact CG-CZ3 3.81Å; W48-W59 HydrophobicContact CG-CZ3 3.81Å; W48-W59 AromaticContact NE1-CE3 3.95Å; W48-R60 WeakPolarHBondContact CZ2-O 3.38Å; W48-R60 PolarHBondContact NE1-O 2.85Å; W48-I62 HydrophobicContact CH2-CD1 4.01Å; W48-I62 HydrophobicContact CZ2-CD1 3.53Å; W48-I62 HydrophobicContact CZ2-CG1 3.88Å; W48-L84 HydrophobicContact CH2-CD1 3.69Å; W48-L84 HydrophobicContact CZ2-CD1 3.92Å; W48-L84 HydrophobicContact CZ2-CD2 4.1Å; W48-L84 HydrophobicContact CZ2-CG 4.44Å
49	T	91.5	Very high	88.8	Confident	57 Å²	57	59 Å²	59	35%	0.35	36%	0.356	S	S	.	.			trans	-129.3	151.7	-175.2	68.6	0	0	0	0	111.3	V46 S47 A51 S52 W59	V46-T49 WeakPolarHBondContact O-CG2 3.39Å; S47-T49 PolarHBondContact O-N 2.75Å; T49-A51 PolarHBondContact O-N 3.27Å; T49-S52 PolarHBondContact O-N 3.19Å; T49-S52 PolarHBondContact O-OG 2.99Å; T49-S52 PolarHBondContact OG1-OG 3.49Å; T49-W59 VanDerWaalsContact O-CZ2 3.28Å; T49-W59 WeakPolarHBondContact O-CZ2 3.17Å
50	E	89.5	Confident	88.4	Confident	149 Å²	149	62.5 Å²	62.5	70%	0.696	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.4	175.6	-71.2	175.8	-172	0	0	113.3	L32 S52	L32-E50 HydrophobicContact CD1-CG 3.77Å; E50-S52 VanDerWaalsContact C-N 3.32Å
51	A	86.1	Confident	88	Confident	104 Å²	104	61.7 Å²	61.7	86%	0.86	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-2.9	180	0	0	0	0	0	114	T49	T49-A51 PolarHBondContact O-N 3.27Å
52	S	87.4	Confident	87.9	Confident	23 Å²	23	58 Å²	58	16%	0.161	33%	0.333	C	S	.	.	S	Bend	trans	-132.7	159.5	-175.4	63.3	0	0	0	0	112	T49 E50 D57 W59	T49-S52 PolarHBondContact O-N 3.19Å; T49-S52 PolarHBondContact O-OG 2.99Å; T49-S52 PolarHBondContact OG1-OG 3.49Å; E50-S52 VanDerWaalsContact C-N 3.32Å; S52-D57 WeakPolarHBondContact CA-OD2 3.08Å; S52-D57 VanDerWaalsContact CB-OD2 3.3Å; S52-D57 WeakPolarHBondContact CB-OD2 3.5Å; S52-W59 WeakPolarHBondContact O-CZ2 3.39Å; S52-W59 PolarHBondContact OG-NE1 3.45Å
53	D	88.1	Confident	87.7	Confident	34 Å²	34	58.5 Å²	58.5	18%	0.182	33%	0.331	C	S	.	.			trans	-103	132.1	-179.7	171.7	69.8	0	0	0	111.6	S25 C55 S56 D57	S25-D53 WeakPolarHBondContact CB-OD1 3.4Å; D53-C55 PolarHBondContact O-N 2.88Å; D53-C55 VanDerWaalsContact O-N 3.09Å; D53-C55 WeakPolarHBondContact OD2-CA 3.33Å; D53-C55 WeakPolarHBondContact OD2-CB 3.17Å; D53-C55 PolarHBondContact OD2-N 3.48Å; D53-S56 PolarHBondContact O-N 3.42Å; D53-S56 WeakPolarHBondContact OD2-CB 3.19Å; D53-S56 PolarHBondContact OD2-N 2.84Å; D53-S56 PolarHBondContact OD2-OG 2.85Å; D53-D57 PolarHBondContact N-OD2 3.43Å; D53-D57 WeakPolarHBondContact O-CB 3.45Å; D53-D57 PolarHBondContact O-N 3.3Å
54	P	89.5	Confident	87.4	Confident	3 Å²	3	57 Å²	57	2%	0.019	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-29.4	179.8	18.3	-32.3	0	0	0	114.9	A28 L31 W59 I62 V79	A28-P54 HydrophobicContact CB-CG 4.01Å; L31-P54 HydrophobicContact CD1-CB 3.76Å; L31-P54 HydrophobicContact CD1-CG 4.13Å; P54-W59 HydrophobicContact CB-CB 4.5Å; P54-W59 HydrophobicContact CB-CD2 3.78Å; P54-W59 HydrophobicContact CB-CE3 3.7Å; P54-W59 HydrophobicContact CB-CG 4.2Å; P54-W59 HydrophobicContact CB-CZ3 4.12Å; P54-W59 HydrophobicContact CG-CZ3 4.47Å; P54-I62 HydrophobicContact CB-CG2 4.09Å; P54-V79 HydrophobicContact CB-CG2 4.17Å; P54-V79 HydrophobicContact CG-CG2 4.3Å
55	C	87.5	Confident	87	Confident	33 Å²	33	62.7 Å²	62.7	22%	0.223	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-23.9	-176.7	-62.1	0	0	0	0	113.7	D53 C64 P77	D53-C55 PolarHBondContact O-N 2.88Å; D53-C55 VanDerWaalsContact O-N 3.09Å; D53-C55 WeakPolarHBondContact OD2-CA 3.33Å; D53-C55 WeakPolarHBondContact OD2-CB 3.17Å; D53-C55 PolarHBondContact OD2-N 3.48Å; C55-C64 WeakPolarHBondContact CA-SG 3.26Å; C55-C64 HydrophobicContact CB-CB 3.6Å; C55-C64 WeakPolarHBondContact CB-SG 3.42Å; C55-C64 WeakPolarHBondContact SG-CB 3.29Å; C55-C64 CovalentContact SG-SG 2.03Å; C55-C64 PolarHBondContact SG-SG 2.93Å; C55-P77 HydrophobicContact CB-CB 3.84Å; C55-P77 HydrophobicContact CB-CG 3.79Å
56	S	82.9	Confident	85.8	Confident	80 Å²	80	70.8 Å²	70.8	56%	0.559	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-34.1	-175.8	-49.5	0	0	0	0	112.2	D53	D53-S56 PolarHBondContact O-N 3.42Å; D53-S56 WeakPolarHBondContact OD2-CB 3.19Å; D53-S56 PolarHBondContact OD2-N 2.84Å; D53-S56 PolarHBondContact OD2-OG 2.85Å
57	D	76.5	Confident	84.4	Confident	86 Å²	86	68.9 Å²	68.9	46%	0.46	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	24.9	-169.1	-63	-55.9	0	0	0	114.2	S52 D53 W59	S52-D57 WeakPolarHBondContact CA-OD2 3.08Å; S52-D57 VanDerWaalsContact CB-OD2 3.3Å; S52-D57 WeakPolarHBondContact CB-OD2 3.5Å; D53-D57 PolarHBondContact N-OD2 3.43Å; D53-D57 WeakPolarHBondContact O-CB 3.45Å; D53-D57 PolarHBondContact O-N 3.3Å; D57-W59 PolarHBondContact O-N 3.41Å
58	R	78.9	Confident	82.8	Confident	224 Å²	224	69.5 Å²	69.5	85%	0.845	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	51.1	173.4	-63.7	-172.8	-67.6	-84	0	113.6	R60	R58-R60 PolarHBondContact O-N 3.24Å
59	W	89.9	Confident	81	Confident	3 Å²	3	75.8 Å²	75.8	1%	0.011	41%	0.407	C	S	.	.			trans	-56.7	132.2	175.1	-80.2	24.9	0	0	0	111.4	A28 L31 L32 S47 W48 T49 S52 P54 D57 G61 I62	A28-W59 HydrophobicContact CB-CH2 4.01Å; L31-W59 HydrophobicContact CB-CE3 4.38Å; L31-W59 HydrophobicContact CB-CZ3 3.7Å; L31-W59 HydrophobicContact CD1-CE3 3.9Å; L31-W59 HydrophobicContact CD1-CZ3 3.82Å; L31-W59 HydrophobicContact CG-CZ3 4.42Å; L32-W59 HydrophobicContact CD1-CH2 4.32Å; L32-W59 HydrophobicContact CD2-CH2 3.93Å; L32-W59 HydrophobicContact CG-CH2 3.9Å; L32-W59 HydrophobicContact CG-CZ3 4.46Å; S47-W59 VanDerWaalsContact O-CD1 3.23Å; S47-W59 PolarHBondContact O-NE1 3.01Å; S47-W59 VanDerWaalsContact O-NE1 3.16Å; W48-W59 HydrophobicContact CB-CD2 3.96Å; W48-W59 HydrophobicContact CB-CE3 3.65Å; W48-W59 HydrophobicContact CB-CH2 4.14Å; W48-W59 HydrophobicContact CB-CZ2 4.4Å; W48-W59 HydrophobicContact CB-CZ3 3.74Å; W48-W59 AromaticContact CD1-CD2 3.61Å; W48-W59 AromaticContact CD1-CE3 3.52Å; W48-W59 AromaticContact CD1-CG 3.64Å; W48-W59 HydrophobicContact CD2-CD2 4.45Å; W48-W59 AromaticContact CD2-CE3 3.6Å; W48-W59 HydrophobicContact CD2-CE3 3.6Å; W48-W59 HydrophobicContact CD2-CZ3 4.01Å; W48-W59 AromaticContact CE2-CE3 4Å; W48-W59 HydrophobicContact CE3-CE3 4.23Å; W48-W59 HydrophobicContact CE3-CZ3 4.23Å; W48-W59 AromaticContact CG-CD2 3.74Å; W48-W59 HydrophobicContact CG-CD2 3.74Å; W48-W59 AromaticContact CG-CE3 3.29Å; W48-W59 HydrophobicContact CG-CE3 3.29Å; W48-W59 HydrophobicContact CG-CG 4.25Å; W48-W59 AromaticContact CG-CZ3 3.81Å; W48-W59 HydrophobicContact CG-CZ3 3.81Å; W48-W59 AromaticContact NE1-CE3 3.95Å; T49-W59 VanDerWaalsContact O-CZ2 3.28Å; T49-W59 WeakPolarHBondContact O-CZ2 3.17Å; S52-W59 WeakPolarHBondContact O-CZ2 3.39Å; S52-W59 PolarHBondContact OG-NE1 3.45Å; P54-W59 HydrophobicContact CB-CB 4.5Å; P54-W59 HydrophobicContact CB-CD2 3.78Å; P54-W59 HydrophobicContact CB-CE3 3.7Å; P54-W59 HydrophobicContact CB-CG 4.2Å; P54-W59 HydrophobicContact CB-CZ3 4.12Å; P54-W59 HydrophobicContact CG-CZ3 4.47Å; D57-W59 PolarHBondContact O-N 3.41Å; W59-G61 PolarHBondContact O-N 3.45Å; W59-I62 HydrophobicContact CB-CB 3.95Å; W59-I62 HydrophobicContact CB-CG1 3.58Å; W59-I62 HydrophobicContact CE3-CG1 4.43Å; W59-I62 WeakPolarHBondContact O-CB 3.3Å; W59-I62 PolarHBondContact O-N 3.35Å
60	R	86.3	Confident	79.2	Confident	129 Å²	129	76.1 Å²	76.1	49%	0.487	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	131	-179.1	-173	-178.5	-173.5	157.4	1.7	110.4	A44 S47 W48 R58 I62	A44-R60 WeakPolarHBondContact O-CD 3.23Å; S47-R60 PolarHBondContact OG-N 2.81Å; W48-R60 WeakPolarHBondContact CZ2-O 3.38Å; W48-R60 PolarHBondContact NE1-O 2.85Å; R58-R60 PolarHBondContact O-N 3.24Å; R60-I62 PolarHBondContact O-N 3.42Å
61	G	86.5	Confident	77.4	Confident	23 Å²	23	74.8 Å²	74.8	24%	0.237	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	-2.4	177.1	0	0	0	0	0	115	W59 V82 V83	W59-G61 PolarHBondContact O-N 3.45Å; G61-V82 CarbonylContact O-C 3.44Å; G61-V82 WeakPolarHBondContact O-CA 3.46Å; G61-V83 WeakPolarHBondContact CA-O 3.13Å; G61-V83 PolarHBondContact O-N 2.71Å
62	I	88.4	Confident	75.7	Confident	21 Å²	21	75.2 Å²	75.2	11%	0.108	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	134	179.5	-56.8	-56.3	0	0	0	110.3	L31 W48 P54 W59 R60 V79 V82	L31-I62 HydrophobicContact CD1-CD1 3.78Å; L31-I62 HydrophobicContact CD1-CG1 4.23Å; L31-I62 HydrophobicContact CD2-CD1 3.73Å; L31-I62 HydrophobicContact CG-CD1 4.44Å; W48-I62 HydrophobicContact CH2-CD1 4.01Å; W48-I62 HydrophobicContact CZ2-CD1 3.53Å; W48-I62 HydrophobicContact CZ2-CG1 3.88Å; P54-I62 HydrophobicContact CB-CG2 4.09Å; W59-I62 HydrophobicContact CB-CB 3.95Å; W59-I62 HydrophobicContact CB-CG1 3.58Å; W59-I62 HydrophobicContact CE3-CG1 4.43Å; W59-I62 WeakPolarHBondContact O-CB 3.3Å; W59-I62 PolarHBondContact O-N 3.35Å; R60-I62 PolarHBondContact O-N 3.42Å; I62-V79 HydrophobicContact CG2-CG1 4.16Å; I62-V79 HydrophobicContact CG2-CG2 3.93Å; I62-V82 HydrophobicContact CD1-CB 4.49Å; I62-V82 HydrophobicContact CD1-CG1 4.38Å; I62-V82 HydrophobicContact CD1-CG2 3.79Å
63	T	83.9	Confident	74.1	Confident	55 Å²	55	77.8 Å²	77.8	34%	0.337	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	122.2	165.7	-47.6	0	0	0	0	109.4	R80 R81	T63-R80 PolarHBondContact O-N 3.49Å; T63-R81 PolarHBondContact N-O 2.78Å; T63-R81 PolarHBondContact O-N 3.18Å
64	C	85.7	Confident	72.8	Confident	27 Å²	27	81 Å²	81	18%	0.182	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	154.9	176.1	-62.8	0	0	0	0	112	C55 K66 P77 R78	C55-C64 WeakPolarHBondContact CA-SG 3.26Å; C55-C64 HydrophobicContact CB-CB 3.6Å; C55-C64 WeakPolarHBondContact CB-SG 3.42Å; C55-C64 WeakPolarHBondContact SG-CB 3.29Å; C55-C64 CovalentContact SG-SG 2.03Å; C55-C64 PolarHBondContact SG-SG 2.93Å; C64-K66 PolarHBondContact O-N 2.94Å; C64-P77 HydrophobicContact CB-CB 4.31Å; C64-R78 CarbonylContact C-O 3.23Å; C64-R78 VanDerWaalsContact CA-O 3.24Å; C64-R78 WeakPolarHBondContact CA-O 3.48Å; C64-R78 WeakPolarHBondContact CB-O 3.36Å
65	R	79.2	Confident	71.8	Confident	124 Å²	124	82.5 Å²	82.5	47%	0.468	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-68.1	124.6	168.8	-170.6	176.6	75.9	173.3	3.4	108.5	S75 R78	R65-S75 PolarHBondContact NH2-OG 3.25Å; R65-R78 PolarHBondContact N-O 3.26Å
66	K	68	Low	71.3	Confident	170 Å²	170	85.4 Å²	85.4	74%	0.739	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-59.7	139.3	170.2	-70.4	-177.1	-178.7	173.7	0	109.2	C64	C64-K66 PolarHBondContact O-N 2.94Å
67	P	64.2	Low	71.3	Confident	60 Å²	60	83.6 Å²	83.6	39%	0.39	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-57.4	154	172.2	-17.3	28.3	0	0	0	110.8	P73	P67-P73 HydrophobicContact CB-CB 3.58Å; P67-P73 HydrophobicContact CG-CB 4.5Å
68	S	56.1	Low	71.9	Confident	54 Å²	54	82.1 Å²	82.1	38%	0.378	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-53.4	137.2	170.8	-178.2	0	0	0	0	109.7	S70	S68-S70 PolarHBondContact O-N 2.73Å; S68-S70 VanDerWaalsContact O-N 3.14Å; S68-S70 PolarHBondContact OG-OG 3.26Å
69	P	54.1	Low	72.6	Confident	133 Å²	133	71.4 Å²	71.4	86%	0.864	42%	0.415	S	S	*	.	S	Bend	trans	-66.8	-10	179.1	25.8	-33.2	0	0	0	113.7	P71	P69-P71 WeakPolarHBondContact O-CD 3.37Å
70	S	53.6	Low	72.5	Confident	63 Å²	63	75.5 Å²	75.5	44%	0.441	43%	0.43	S	S	.	.	S	Bend	trans	-75.6	118.5	174.7	57	0	0	0	0	111	S68 P72	S68-S70 PolarHBondContact O-N 2.73Å; S68-S70 VanDerWaalsContact O-N 3.14Å; S68-S70 PolarHBondContact OG-OG 3.26Å; S70-P72 CarbonylContact O-C 3.13Å; S70-P72 VanDerWaalsContact O-C 3.23Å
71	P	51.8	Low	72.6	Confident	122 Å²	122	70 Å²	70	79%	0.792	41%	0.409	S	S	*	.	S	Bend	trans	-77.5	141.4	174.3	30.3	-31.6	0	0	0	111.3	P69	P69-P71 WeakPolarHBondContact O-CD 3.37Å
72	P	51	Low	72.8	Confident	112 Å²	112	68.9 Å²	68.9	73%	0.727	40%	0.398	S	S	*	.	S	Bend	cis	-76.6	153.2	-10.2	32.8	-31.9	0	0	0	111	S70 S74	S70-P72 CarbonylContact O-C 3.13Å; S70-P72 VanDerWaalsContact O-C 3.23Å; P72-S74 PolarHBondContact O-N 2.91Å; P72-S74 VanDerWaalsContact O-N 3.15Å
73	P	54.9	Low	72.7	Confident	77 Å²	77	69.4 Å²	69.4	50%	0.5	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-57.6	122.3	176.7	23.5	-32.5	0	0	0	110.2	P67 S75	P67-P73 HydrophobicContact CB-CB 3.58Å; P67-P73 HydrophobicContact CG-CB 4.5Å; P73-S75 PolarHBondContact O-N 2.97Å; P73-S75 VanDerWaalsContact O-N 3.16Å
74	S	61	Low	72.9	Confident	102 Å²	102	66.8 Å²	66.8	71%	0.713	39%	0.386	S	S	*	.	S	Bend	trans	-67.9	-13.1	-175.3	56.9	0	0	0	0	114.6	P72	P72-S74 PolarHBondContact O-N 2.91Å; P72-S74 VanDerWaalsContact O-N 3.15Å
75	S	68.4	Low	72.9	Confident	35 Å²	35	68.8 Å²	68.8	25%	0.245	39%	0.392	C	S	.	.	S	Bend	trans	-155.2	147.8	178.3	49.7	0	0	0	0	111.3	R65 P73	R65-S75 PolarHBondContact NH2-OG 3.25Å; P73-S75 PolarHBondContact O-N 2.97Å; P73-S75 VanDerWaalsContact O-N 3.16Å
76	P	76	Confident	73.2	Confident	93 Å²	93	65.2 Å²	65.2	60%	0.604	39%	0.394	S	S	*	.			trans	-61.4	152.3	172.2	26.3	-33.8	0	0	0	110.7	R78	P76-R78 PolarHBondContact O-N 3.27Å
77	P	84.2	Confident	74.2	Confident	43 Å²	43	58.1 Å²	58.1	28%	0.279	36%	0.364	S	S	.	.			trans	-59.3	136.5	174.6	27.4	-34	0	0	0	109.7	C55 C64	C55-P77 HydrophobicContact CB-CB 3.84Å; C55-P77 HydrophobicContact CB-CG 3.79Å; C64-P77 HydrophobicContact CB-CB 4.31Å
78	R	89	Confident	75.4	Confident	54 Å²	54	63 Å²	63	20%	0.204	38%	0.375	C	S	.	.			trans	-120	143.2	-179.7	-61.9	-60.1	-62.4	-88.4	8	110.3	D27 C64 R65 P76 R80 M104	D27-R78 VanDerWaalsContact CG-NE 3.33Å; D27-R78 IonicContact OD1-CZ 3.39Å; D27-R78 IonicContact OD1-NE 3.34Å; D27-R78 PolarHBondContact OD1-NE 3.16Å; D27-R78 VanDerWaalsContact OD1-NE 3.1Å; D27-R78 IonicContact OD1-NH2 2.62Å; D27-R78 PolarHBondContact OD1-NH2 3.1Å; D27-R78 WeakPolarHBondContact OD2-CA 3.47Å; D27-R78 IonicContact OD2-CZ 2.89Å; D27-R78 IonicContact OD2-NE 3.76Å; D27-R78 PolarHBondContact OD2-NE 3.42Å; D27-R78 IonicContact OD2-NH2 3.13Å; C64-R78 CarbonylContact C-O 3.23Å; C64-R78 VanDerWaalsContact CA-O 3.24Å; C64-R78 WeakPolarHBondContact CA-O 3.48Å; C64-R78 WeakPolarHBondContact CB-O 3.36Å; R65-R78 PolarHBondContact N-O 3.26Å; P76-R78 PolarHBondContact O-N 3.27Å; R78-R80 PolarHBondContact O-N 3.4Å; R78-M104 HydrophobicContact CB-CB 4.03Å; R78-M104 HydrophobicContact CB-CG 4Å; R78-M104 HydrophobicContact CG-CG 4.23Å
79	V	91.9	Very high	77.2	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	122.1	175.4	175.7	0	0	0	0	108.7	D27 L31 P54 I62 V82 L102 M104 L105	D27-V79 HydrophobicContact CB-CB 4.1Å; D27-V79 HydrophobicContact CB-CG2 3.58Å; D27-V79 PolarHBondContact OD2-N 2.7Å; L31-V79 HydrophobicContact CD1-CG2 4.11Å; P54-V79 HydrophobicContact CB-CG2 4.17Å; P54-V79 HydrophobicContact CG-CG2 4.3Å; I62-V79 HydrophobicContact CG2-CG1 4.16Å; I62-V79 HydrophobicContact CG2-CG2 3.93Å; V79-V82 HydrophobicContact CG1-CG2 3.95Å; V79-L102 HydrophobicContact CB-CD2 4.22Å; V79-L102 HydrophobicContact CG1-CD1 4.22Å; V79-L102 HydrophobicContact CG1-CD2 4.41Å; V79-M104 CarbonylContact O-C 3.55Å; V79-L105 HydrophobicContact CG1-CD1 4.29Å
80	R	87.7	Confident	79.2	Confident	89 Å²	89	54.5 Å²	54.5	34%	0.336	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-26.1	-176	177.6	177.1	148	73.3	6.6	111.8	T63 R78 S106 F107	T63-R80 PolarHBondContact O-N 3.49Å; R78-R80 PolarHBondContact O-N 3.4Å; R80-S106 WeakPolarHBondContact CG-OG 3.38Å; R80-S106 PolarHBondContact NH1-OG 3.41Å; R80-S106 PolarHBondContact O-N 3.01Å; R80-S106 PolarHBondContact O-OG 3.28Å; R80-F107 PolarHBondContact O-N 2.76Å
81	R	88.8	Confident	81.1	Confident	12 Å²	12	52.5 Å²	52.5	5%	0.045	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	136.6	-179.3	-45.4	173.6	46.2	89.1	4.2	110.9	T63 F107 E568	T63-R81 PolarHBondContact N-O 2.78Å; T63-R81 PolarHBondContact O-N 3.18Å; R81-F107 WeakPolarHBondContact CA-O 3.43Å; R81-F107 HydrophobicContact CB-CB 3.78Å; R81-F107 HydrophobicContact CB-CD1 4.34Å; R81-F107 HydrophobicContact CB-CG 4.3Å; R81-F107 HydrophobicContact CG-CB 3.7Å; R81-F107 HydrophobicContact CG-CG 4.39Å; R81-E568 IonicContact CZ-OE1 3.95Å; R81-E568 IonicContact NH1-OE1 3.04Å; R81-E568 IonicContact NH2-OE1 2.64Å; R81-E568 PolarHBondContact NH2-OE1 3.27Å
82	V	91.3	Very high	83.1	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	118.1	169.9	177.4	0	0	0	0	107.6	L31 G61 I62 V79 L84 L99 L102 L105 F107 L108 S109	L31-V82 HydrophobicContact CD2-CG2 4.12Å; G61-V82 CarbonylContact O-C 3.44Å; G61-V82 WeakPolarHBondContact O-CA 3.46Å; I62-V82 HydrophobicContact CD1-CB 4.49Å; I62-V82 HydrophobicContact CD1-CG1 4.38Å; I62-V82 HydrophobicContact CD1-CG2 3.79Å; V79-V82 HydrophobicContact CG1-CG2 3.95Å; V82-L84 HydrophobicContact CG1-CD1 4.07Å; V82-L84 HydrophobicContact CG1-CG 4.13Å; V82-L99 HydrophobicContact CG1-CD1 4.45Å; V82-L102 HydrophobicContact CG2-CD1 3.94Å; V82-L105 HydrophobicContact CB-CD1 4.2Å; V82-L105 HydrophobicContact CG2-CD1 3.65Å; V82-F107 PolarHBondContact N-O 2.78Å; V82-L108 HydrophobicContact CB-CD1 3.97Å; V82-L108 HydrophobicContact CG1-CD1 4.05Å; V82-L108 WeakPolarHBondContact O-CA 3.43Å; V82-S109 PolarHBondContact O-N 2.87Å
83	V	86.2	Confident	85.2	Confident	33 Å²	33	45.8 Å²	45.8	20%	0.2	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	102.7	-177.9	-171.6	0	0	0	0	109.2	G61 E85 F107	G61-V83 WeakPolarHBondContact CA-O 3.13Å; G61-V83 PolarHBondContact O-N 2.71Å; V83-E85 HydrophobicContact CG1-CG 4Å; V83-F107 HydrophobicContact CG2-CD1 3.75Å; V83-F107 HydrophobicContact CG2-CE1 3.67Å
84	L	88.8	Confident	87	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.258	C	S	.	.			trans	-129.4	69.4	-177.3	-63.6	176.3	0	0	0	109.4	F34 L45 W48 V82 L87 L89 S109 L110 N113	F34-L84 HydrophobicContact CE1-CD1 3.64Å; F34-L84 HydrophobicContact CZ-CD1 4.12Å; L45-L84 HydrophobicContact CD2-CD1 3.95Å; L45-L84 HydrophobicContact CD2-CD2 3.75Å; W48-L84 HydrophobicContact CH2-CD1 3.69Å; W48-L84 HydrophobicContact CZ2-CD1 3.92Å; W48-L84 HydrophobicContact CZ2-CD2 4.1Å; W48-L84 HydrophobicContact CZ2-CG 4.44Å; V82-L84 HydrophobicContact CG1-CD1 4.07Å; V82-L84 HydrophobicContact CG1-CG 4.13Å; L84-L87 HydrophobicContact CB-CD1 3.97Å; L84-L87 HydrophobicContact CD2-CD1 3.75Å; L84-L87 HydrophobicContact CG-CD1 4.48Å; L84-L89 HydrophobicContact CB-CD1 3.93Å; L84-L89 HydrophobicContact CD1-CD1 4.04Å; L84-L89 HydrophobicContact CG-CD1 4.48Å; L84-S109 PolarHBondContact N-O 2.93Å; L84-L110 HydrophobicContact CB-CD2 3.91Å; L84-L110 HydrophobicContact CD1-CD2 4.15Å; L84-N113 PolarHBondContact O-ND2 2.64Å
85	E	85	Confident	88.6	Confident	68 Å²	68	39.5 Å²	39.5	32%	0.318	23%	0.225	S	C	.	.			trans	-98	139	-174.8	-53.9	-170.4	178.9	0	0	112.5	V83 L87 S109 K111	V83-E85 HydrophobicContact CG1-CG 4Å; E85-L87 VanDerWaalsContact C-N 3.26Å; E85-L87 WeakPolarHBondContact O-CG 3.45Å; E85-L87 PolarHBondContact O-N 3.07Å; E85-S109 VanDerWaalsContact CD-OG 3.23Å; E85-S109 VanDerWaalsContact CG-OG 3.27Å; E85-S109 WeakPolarHBondContact CG-OG 3.34Å; E85-S109 VanDerWaalsContact OE1-CB 3.27Å; E85-S109 WeakPolarHBondContact OE1-CB 3.21Å; E85-S109 PolarHBondContact OE1-OG 3.04Å; E85-K111 CarbonylContact C-O 3.58Å; E85-K111 WeakPolarHBondContact CA-O 3.49Å; E85-K111 HydrophobicContact CB-CB 4.42Å; E85-K111 HydrophobicContact CG-CB 3.97Å
86	G	86.1	Confident	89.8	Confident	49 Å²	49	37.9 Å²	37.9	51%	0.505	21%	0.214	S	C	.	.	S	Bend	trans	68.9	21.3	170.1	0	0	0	0	0	114.8	K111 N112	G86-K111 PolarHBondContact N-O 3.31Å; G86-N112 WeakPolarHBondContact CA-O 3Å; G86-N112 PolarHBondContact N-O 3.07Å
87	L	87.3	Confident	90.7	Very high	21 Å²	21	35.4 Å²	35.4	11%	0.11	20%	0.201	C	C	.	.	S	Bend	trans	-95.8	4.1	-170.3	-60.9	-177	0	0	0	113.5	A44 L84 E85 L89 N113	A44-L87 HydrophobicContact CB-CB 4.06Å; A44-L87 HydrophobicContact CB-CD1 4.1Å; A44-L87 HydrophobicContact CB-CD2 4.41Å; A44-L87 HydrophobicContact CB-CG 4.4Å; L84-L87 HydrophobicContact CB-CD1 3.97Å; L84-L87 HydrophobicContact CD2-CD1 3.75Å; L84-L87 HydrophobicContact CG-CD1 4.48Å; E85-L87 VanDerWaalsContact C-N 3.26Å; E85-L87 WeakPolarHBondContact O-CG 3.45Å; E85-L87 PolarHBondContact O-N 3.07Å; L87-L89 HydrophobicContact CB-CD1 4.08Å; L87-L89 HydrophobicContact CB-CG 3.83Å; L87-L89 HydrophobicContact CD1-CD1 4.24Å; L87-L89 PolarHBondContact O-N 3.26Å; L87-N113 PolarHBondContact N-OD1 2.8Å; L87-N113 VanDerWaalsContact N-OD1 3.07Å
88	R	91.2	Very high	91.2	Very high	164 Å²	164	34.4 Å²	34.4	62%	0.619	20%	0.197	S	C	*	.			trans	57.1	27.2	-172.5	-56.2	-180	-72	179.2	-3.5	112.4	P41 N113	P41-R88 WeakPolarHBondContact CD-O 3.42Å; P41-R88 HydrophobicContact CG-CB 4.24Å; P41-R88 WeakPolarHBondContact CG-O 3.23Å; R88-N113 PolarHBondContact N-OD1 2.85Å
89	L	94.1	Very high	91.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.187	C	C	.	.			trans	-68.4	140.2	174.1	-64.1	171.8	0	0	0	109.1	A39 D40 L45 L84 L87 N113 S114 F115	A39-L89 CarbonylContact O-C 3.54Å; A39-L89 WeakPolarHBondContact O-CA 3.29Å; D40-L89 HydrophobicContact CB-CD2 3.79Å; L45-L89 HydrophobicContact CD1-CD2 4.12Å; L45-L89 HydrophobicContact CD2-CD1 4.39Å; L45-L89 HydrophobicContact CG-CD2 4.11Å; L84-L89 HydrophobicContact CB-CD1 3.93Å; L84-L89 HydrophobicContact CD1-CD1 4.04Å; L84-L89 HydrophobicContact CG-CD1 4.48Å; L87-L89 HydrophobicContact CB-CD1 4.08Å; L87-L89 HydrophobicContact CB-CG 3.83Å; L87-L89 HydrophobicContact CD1-CD1 4.24Å; L87-L89 PolarHBondContact O-N 3.26Å; L89-N113 HydrophobicContact CB-CB 4.47Å; L89-N113 PolarHBondContact N-OD1 2.88Å; L89-N113 WeakPolarHBondContact O-CB 3.44Å; L89-S114 WeakPolarHBondContact O-CA 3.37Å; L89-S114 PolarHBondContact O-N 2.94Å; L89-F115 HydrophobicContact CB-CE2 3.77Å; L89-F115 HydrophobicContact CB-CZ 3.64Å
90	G	94.9	Very high	91.4	Very high	7 Å²	7	32.3 Å²	32.3	7%	0.072	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	-178.6	175.8	0	0	0	0	0	111.4	C38 A39 F115	C38-G90 CarbonylContact C-O 3.4Å; C38-G90 VanDerWaalsContact CA-O 3.27Å; C38-G90 WeakPolarHBondContact CA-O 3.15Å; C38-G90 WeakPolarHBondContact CB-O 3.33Å; A39-G90 PolarHBondContact N-O 3.45Å; A39-G90 PolarHBondContact O-N 2.93Å; G90-F115 VanDerWaalsContact O-CE1 3.32Å; G90-F115 WeakPolarHBondContact O-CE1 3.17Å
91	G	94	Very high	91.6	Very high	21 Å²	21	30.3 Å²	30.3	22%	0.216	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135.8	170.8	-178.7	0	0	0	0	0	111	F115 T116	G91-F115 CarbonylContact O-C 3.39Å; G91-F115 WeakPolarHBondContact O-CA 3.11Å; G91-T116 PolarHBondContact O-N 3.1Å; G91-T116 PolarHBondContact O-OG1 2.92Å
92	D	94.4	Very high	91.9	Very high	92 Å²	92	29.8 Å²	29.8	49%	0.492	20%	0.196	S	C	.	.			trans	-80.7	166.2	173.6	-174.4	68.3	0	0	0	111.2	G94 A95 T116 G117	D92-G94 PolarHBondContact O-N 2.95Å; D92-G94 VanDerWaalsContact O-N 3.14Å; D92-G94 PolarHBondContact OD2-N 2.88Å; D92-A95 WeakPolarHBondContact O-CB 3.23Å; D92-A95 PolarHBondContact O-N 3.29Å; D92-T116 CarbonylContact C-O 3.44Å; D92-G117 WeakPolarHBondContact OD1-CA 3.39Å
93	A	94.5	Very high	91.8	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-57.4	-25.5	175.6	0	0	0	0	0	112.4	A95 V96 A97 T116 S118 L119 V122 F141	A93-A95 PolarHBondContact O-N 3.04Å; A93-V96 WeakPolarHBondContact O-CA 3.48Å; A93-V96 VanDerWaalsContact O-CB 3.31Å; A93-V96 WeakPolarHBondContact O-CB 3.4Å; A93-V96 PolarHBondContact O-N 3.48Å; A93-A97 PolarHBondContact O-N 3.26Å; A93-T116 PolarHBondContact N-O 3.48Å; A93-S118 WeakPolarHBondContact CB-O 3.34Å; A93-L119 HydrophobicContact CB-CD2 4.24Å; A93-V122 HydrophobicContact CB-CG2 4.11Å; A93-V122 WeakPolarHBondContact O-CG2 3.44Å; A93-F141 HydrophobicContact CB-CD1 4.37Å; A93-F141 HydrophobicContact CB-CE1 4.32Å
94	G	93	Very high	92	Very high	44 Å²	44	33.4 Å²	33.4	45%	0.454	22%	0.216	S	C	.	.	H	α-helix	trans	-55.6	-30.8	170.5	0	0	0	0	0	114.4	D92 V96 A97	D92-G94 PolarHBondContact O-N 2.95Å; D92-G94 VanDerWaalsContact O-N 3.14Å; D92-G94 PolarHBondContact OD2-N 2.88Å; G94-V96 VanDerWaalsContact C-N 3.33Å; G94-V96 PolarHBondContact O-N 3.04Å; G94-A97 VanDerWaalsContact O-CB 3.3Å; G94-A97 WeakPolarHBondContact O-CB 3.23Å; G94-A97 PolarHBondContact O-N 3.22Å
95	A	93.7	Very high	92.3	Very high	3 Å²	3	33.4 Å²	33.4	3%	0.025	22%	0.216	C	C	.	.	H	α-helix	trans	-62.7	-42.8	173	0	0	0	0	0	110.6	F34 A37 D92 A93 A97 A98 F115	F34-A95 HydrophobicContact CD2-CB 4.24Å; F34-A95 WeakPolarHBondContact CD2-O 3.46Å; F34-A95 HydrophobicContact CE2-CB 4.4Å; A37-A95 HydrophobicContact CB-CB 3.84Å; D92-A95 WeakPolarHBondContact O-CB 3.23Å; D92-A95 PolarHBondContact O-N 3.29Å; A93-A95 PolarHBondContact O-N 3.04Å; A95-A97 PolarHBondContact O-N 3.48Å; A95-A98 VanDerWaalsContact O-CB 3.29Å; A95-A98 WeakPolarHBondContact O-CB 3.18Å; A95-A98 PolarHBondContact O-N 3.21Å; A95-F115 HydrophobicContact CB-CE1 4.4Å
96	V	94.6	Very high	92.5	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-62.1	-31.7	177.2	-171.6	0	0	0	0	111.4	A93 G94 A98 L99 A100 L110 F124 F141	A93-V96 WeakPolarHBondContact O-CA 3.48Å; A93-V96 VanDerWaalsContact O-CB 3.31Å; A93-V96 WeakPolarHBondContact O-CB 3.4Å; A93-V96 PolarHBondContact O-N 3.48Å; G94-V96 VanDerWaalsContact C-N 3.33Å; G94-V96 PolarHBondContact O-N 3.04Å; V96-A98 PolarHBondContact O-N 2.86Å; V96-L99 WeakPolarHBondContact O-CB 3.45Å; V96-L99 PolarHBondContact O-N 3.31Å; V96-L99 VanDerWaalsContact O-N 3.09Å; V96-A100 PolarHBondContact O-N 2.93Å; V96-L110 HydrophobicContact CG1-CD1 4.34Å; V96-L110 HydrophobicContact CG2-CD1 3.84Å; V96-F124 HydrophobicContact CG1-CE1 4.06Å; V96-F124 HydrophobicContact CG1-CZ 4.04Å; V96-F141 HydrophobicContact CG2-CE1 4Å; V96-F141 HydrophobicContact CG2-CZ 3.81Å
97	A	93.9	Very high	92.7	Very high	41 Å²	41	28.1 Å²	28.1	34%	0.339	18%	0.179	S	C	.	.	H	α-helix	trans	-61.7	-31.1	174.8	0	0	0	0	0	112.8	A93 G94 A95 L99 A100 V122	A93-A97 PolarHBondContact O-N 3.26Å; G94-A97 VanDerWaalsContact O-CB 3.3Å; G94-A97 WeakPolarHBondContact O-CB 3.23Å; G94-A97 PolarHBondContact O-N 3.22Å; A95-A97 PolarHBondContact O-N 3.48Å; A97-L99 VanDerWaalsContact C-N 3.31Å; A97-L99 PolarHBondContact O-N 2.98Å; A97-A100 VanDerWaalsContact O-CB 3.23Å; A97-A100 WeakPolarHBondContact O-CB 3.32Å; A97-A100 PolarHBondContact O-N 2.96Å; A97-A100 VanDerWaalsContact O-N 3.1Å; A97-V122 HydrophobicContact CB-CG1 4.2Å; A97-V122 HydrophobicContact CB-CG2 4.33Å
98	A	94.9	Very high	93.1	Very high	23 Å²	23	27.1 Å²	27.1	19%	0.19	17%	0.174	C	C	.	.	H	α-helix	trans	-61.8	-39.9	173.6	0	0	0	0	0	111.6	P30 A33 F34 A95 V96 A100 G101	P30-A98 WeakPolarHBondContact CB-O 3.48Å; A33-A98 HydrophobicContact CB-CB 4.02Å; F34-A98 HydrophobicContact CB-CB 4.09Å; A95-A98 VanDerWaalsContact O-CB 3.29Å; A95-A98 WeakPolarHBondContact O-CB 3.18Å; A95-A98 PolarHBondContact O-N 3.21Å; V96-A98 PolarHBondContact O-N 2.86Å; A98-A100 PolarHBondContact O-N 3.4Å; A98-G101 PolarHBondContact O-N 3.02Å; A98-G101 VanDerWaalsContact O-N 3.08Å
99	L	95.2	Very high	93	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-69	-21.4	176.1	-61.2	179	0	0	0	113.1	L31 F34 V82 V96 A97 G101 L102 L108 L110	L31-L99 HydrophobicContact CD2-CD2 3.74Å; F34-L99 HydrophobicContact CB-CD2 3.68Å; F34-L99 HydrophobicContact CB-CG 3.99Å; F34-L99 HydrophobicContact CD1-CD2 4.32Å; F34-L99 HydrophobicContact CD2-CD1 3.53Å; F34-L99 HydrophobicContact CD2-CD2 3.98Å; F34-L99 HydrophobicContact CD2-CG 3.47Å; F34-L99 VanDerWaalsContact CD2-CG 3.47Å; F34-L99 HydrophobicContact CE2-CD1 3.55Å; F34-L99 HydrophobicContact CE2-CG 4.06Å; F34-L99 HydrophobicContact CG-CD1 4.06Å; F34-L99 HydrophobicContact CG-CD2 3.73Å; F34-L99 HydrophobicContact CG-CG 3.79Å; F34-L99 HydrophobicContact CZ-CD1 4.09Å; V82-L99 HydrophobicContact CG1-CD1 4.45Å; V96-L99 WeakPolarHBondContact O-CB 3.45Å; V96-L99 PolarHBondContact O-N 3.31Å; V96-L99 VanDerWaalsContact O-N 3.09Å; A97-L99 VanDerWaalsContact C-N 3.31Å; A97-L99 PolarHBondContact O-N 2.98Å; L99-G101 PolarHBondContact O-N 3.34Å; L99-L102 HydrophobicContact CD2-CD1 4.14Å; L99-L102 WeakPolarHBondContact O-CB 3.49Å; L99-L102 PolarHBondContact O-N 3.28Å; L99-L108 HydrophobicContact CD1-CD1 3.72Å; L99-L110 HydrophobicContact CD1-CD1 4.2Å; L99-L110 HydrophobicContact CD1-CD2 4.27Å
100	A	90.4	Very high	93	Very high	9 Å²	9	19.3 Å²	19.3	7%	0.074	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-12.5	171.8	0	0	0	0	0	112.4	V96 A97 A98 L102 T126 L127	V96-A100 PolarHBondContact O-N 2.93Å; A97-A100 VanDerWaalsContact O-CB 3.23Å; A97-A100 WeakPolarHBondContact O-CB 3.32Å; A97-A100 PolarHBondContact O-N 2.96Å; A97-A100 VanDerWaalsContact O-N 3.1Å; A98-A100 PolarHBondContact O-N 3.4Å; A100-L102 VanDerWaalsContact C-N 3.27Å; A100-L102 PolarHBondContact O-N 2.94Å; A100-T126 WeakPolarHBondContact O-CB 3.32Å; A100-T126 PolarHBondContact O-OG1 3.27Å; A100-L127 HydrophobicContact CB-CG 4.46Å; A100-L127 WeakPolarHBondContact O-CD2 3.47Å
101	G	91.3	Very high	92.8	Very high	48 Å²	48	22.4 Å²	22.4	50%	0.495	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	3.5	172.5	0	0	0	0	0	115.7	A98 L99 P103	A98-G101 PolarHBondContact O-N 3.02Å; A98-G101 VanDerWaalsContact O-N 3.08Å; L99-G101 PolarHBondContact O-N 3.34Å; G101-P103 VanDerWaalsContact O-CD 3.25Å; G101-P103 WeakPolarHBondContact O-CD 3.43Å
102	L	94.5	Very high	92.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	17%	0.169	C	C	.	.			trans	-96.6	95.1	-179.3	-68	169.1	0	0	0	111.6	D27 P30 L31 V79 V82 L99 A100 M104 L105 L127	D27-L102 HydrophobicContact CB-CD2 3.76Å; P30-L102 HydrophobicContact CB-CD2 4.37Å; P30-L102 HydrophobicContact CB-CG 4.29Å; P30-L102 HydrophobicContact CG-CD2 3.49Å; P30-L102 VanDerWaalsContact CG-CD2 3.49Å; P30-L102 HydrophobicContact CG-CG 3.91Å; L31-L102 HydrophobicContact CD2-CD1 3.83Å; L31-L102 HydrophobicContact CG-CD1 4.36Å; L31-L102 HydrophobicContact CG-CD2 4.38Å; V79-L102 HydrophobicContact CB-CD2 4.22Å; V79-L102 HydrophobicContact CG1-CD1 4.22Å; V79-L102 HydrophobicContact CG1-CD2 4.41Å; V82-L102 HydrophobicContact CG2-CD1 3.94Å; L99-L102 HydrophobicContact CD2-CD1 4.14Å; L99-L102 WeakPolarHBondContact O-CB 3.49Å; L99-L102 PolarHBondContact O-N 3.28Å; A100-L102 VanDerWaalsContact C-N 3.27Å; A100-L102 PolarHBondContact O-N 2.94Å; L102-M104 VanDerWaalsContact C-N 3.27Å; L102-M104 PolarHBondContact O-N 3.32Å; L102-M104 VanDerWaalsContact O-N 3.13Å; L102-L105 HydrophobicContact CB-CB 3.86Å; L102-L105 HydrophobicContact CB-CD2 4.32Å; L102-L105 HydrophobicContact CD1-CD1 4.23Å; L102-L105 HydrophobicContact CD1-CD2 4.24Å; L102-L105 WeakPolarHBondContact O-CB 3.4Å; L102-L105 PolarHBondContact O-N 3.41Å; L102-L105 VanDerWaalsContact O-N 3.09Å; L102-L127 WeakPolarHBondContact O-CD2 3.15Å
103	P	89.4	Confident	92.6	Very high	49 Å²	49	22 Å²	22	32%	0.318	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-16.4	-164.2	30.4	-38.4	0	0	0	114.7	G101 H130	G101-P103 VanDerWaalsContact O-CD 3.25Å; G101-P103 WeakPolarHBondContact O-CD 3.43Å; P103-H130 PolarHBondContact O-ND1 2.67Å
104	M	91.6	Very high	92.6	Very high	61 Å²	61	25.5 Å²	25.5	30%	0.3	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	5.9	178.8	-64.8	-68.8	144.5	0	0	112.5	R78 V79 L102 S106 H130	R78-M104 HydrophobicContact CB-CB 4.03Å; R78-M104 HydrophobicContact CB-CG 4Å; R78-M104 HydrophobicContact CG-CG 4.23Å; V79-M104 CarbonylContact O-C 3.55Å; L102-M104 VanDerWaalsContact C-N 3.27Å; L102-M104 PolarHBondContact O-N 3.32Å; L102-M104 VanDerWaalsContact O-N 3.13Å; M104-S106 PolarHBondContact O-N 3.28Å; M104-S106 VanDerWaalsContact O-N 3.12Å; M104-H130 PolarHBondContact SD-CE1 3.43Å
105	L	94.4	Very high	92.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.151	C	C	.	.			trans	-65.4	115.7	-177.7	-166.3	67.3	0	0	0	109.6	V79 V82 L102 F107 L108 L127 H130 L131	V79-L105 HydrophobicContact CG1-CD1 4.29Å; V82-L105 HydrophobicContact CB-CD1 4.2Å; V82-L105 HydrophobicContact CG2-CD1 3.65Å; L102-L105 HydrophobicContact CB-CB 3.86Å; L102-L105 HydrophobicContact CB-CD2 4.32Å; L102-L105 HydrophobicContact CD1-CD1 4.23Å; L102-L105 HydrophobicContact CD1-CD2 4.24Å; L102-L105 WeakPolarHBondContact O-CB 3.4Å; L102-L105 PolarHBondContact O-N 3.41Å; L102-L105 VanDerWaalsContact O-N 3.09Å; L105-F107 VanDerWaalsContact CD1-O 3.31Å; L105-F107 WeakPolarHBondContact CD1-O 3.43Å; L105-L108 HydrophobicContact CD2-CB 3.97Å; L105-L108 HydrophobicContact CD2-CD1 4.45Å; L105-L108 HydrophobicContact CD2-CD2 4.3Å; L105-L108 HydrophobicContact CD2-CG 4.47Å; L105-L127 HydrophobicContact CB-CD2 4.05Å; L105-L127 HydrophobicContact CD2-CD1 4.33Å; L105-L127 HydrophobicContact CD2-CD2 4.2Å; L105-H130 CarbonylContact O-C 3.53Å; L105-L131 HydrophobicContact CB-CD1 4.5Å; L105-L131 HydrophobicContact CD2-CD1 4.32Å; L105-L131 HydrophobicContact CG-CD1 4.15Å; L105-L131 WeakPolarHBondContact O-CA 3.37Å; L105-L131 WeakPolarHBondContact O-CD1 3.49Å; L105-L131 PolarHBondContact O-N 3.42Å
106	S	89.8	Confident	93	Very high	5 Å²	5	26.3 Å²	26.3	4%	0.035	17%	0.169	C	C	.	.			trans	-100.4	-17.9	176.5	66.6	0	0	0	0	113.1	R80 M104 H130 K132 L133	R80-S106 WeakPolarHBondContact CG-OG 3.38Å; R80-S106 PolarHBondContact NH1-OG 3.41Å; R80-S106 PolarHBondContact O-N 3.01Å; R80-S106 PolarHBondContact O-OG 3.28Å; M104-S106 PolarHBondContact O-N 3.28Å; M104-S106 VanDerWaalsContact O-N 3.12Å; S106-H130 VanDerWaalsContact CA-O 3.23Å; S106-H130 WeakPolarHBondContact CA-O 3.36Å; S106-H130 WeakPolarHBondContact CB-O 3.23Å; S106-K132 PolarHBondContact O-N 3.43Å; S106-L133 PolarHBondContact O-N 2.82Å
107	F	90.4	Very high	93.1	Very high	1 Å²	1	26.9 Å²	26.9	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	121.1	-170.3	-169.9	-77.2	0	0	0	110.8	R80 R81 V82 V83 L105 L133 Y135 E568	R80-F107 PolarHBondContact O-N 2.76Å; R81-F107 WeakPolarHBondContact CA-O 3.43Å; R81-F107 HydrophobicContact CB-CB 3.78Å; R81-F107 HydrophobicContact CB-CD1 4.34Å; R81-F107 HydrophobicContact CB-CG 4.3Å; R81-F107 HydrophobicContact CG-CB 3.7Å; R81-F107 HydrophobicContact CG-CG 4.39Å; V82-F107 PolarHBondContact N-O 2.78Å; V83-F107 HydrophobicContact CG2-CD1 3.75Å; V83-F107 HydrophobicContact CG2-CE1 3.67Å; L105-F107 VanDerWaalsContact CD1-O 3.31Å; L105-F107 WeakPolarHBondContact CD1-O 3.43Å; F107-L133 HydrophobicContact CD2-CB 3.89Å; F107-L133 HydrophobicContact CD2-CD1 3.6Å; F107-L133 HydrophobicContact CD2-CG 4.01Å; F107-L133 HydrophobicContact CE2-CB 3.75Å; F107-L133 HydrophobicContact CE2-CD1 3.43Å; F107-L133 VanDerWaalsContact CE2-CD1 3.43Å; F107-L133 HydrophobicContact CE2-CG 4.05Å; F107-Y135 HydrophobicContact CE1-CD2 4.34Å; F107-Y135 AromaticContact CE2-CD2 3.99Å; F107-Y135 HydrophobicContact CE2-CD2 3.99Å; F107-Y135 AromaticContact CE2-CE2 3.5Å; F107-Y135 HydrophobicContact CE2-CE2 3.5Å; F107-Y135 AromaticContact CZ-CD2 3.5Å; F107-Y135 HydrophobicContact CZ-CD2 3.5Å; F107-Y135 VanDerWaalsContact CZ-CD2 3.5Å; F107-Y135 AromaticContact CZ-CE2 3.42Å; F107-Y135 HydrophobicContact CZ-CE2 3.42Å; F107-Y135 VanDerWaalsContact CZ-CE2 3.42Å; F107-E568 HydrophobicContact CD2-CG 4.44Å; F107-E568 WeakPolarHBondContact CE1-OE1 3.46Å; F107-E568 HydrophobicContact CE2-CG 3.84Å; F107-E568 WeakPolarHBondContact CE2-OE1 3.5Å; F107-E568 WeakPolarHBondContact CE2-OE2 3.09Å; F107-E568 HydrophobicContact CZ-CG 4.39Å; F107-E568 WeakPolarHBondContact CZ-OE1 3.39Å; F107-E568 WeakPolarHBondContact CZ-OE2 3.48Å
108	L	94.2	Very high	93.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	121	173.3	178.9	55.4	0	0	0	109.8	V82 L99 L105 L110 L131 L133 L134 Y135	V82-L108 HydrophobicContact CB-CD1 3.97Å; V82-L108 HydrophobicContact CG1-CD1 4.05Å; V82-L108 WeakPolarHBondContact O-CA 3.43Å; L99-L108 HydrophobicContact CD1-CD1 3.72Å; L105-L108 HydrophobicContact CD2-CB 3.97Å; L105-L108 HydrophobicContact CD2-CD1 4.45Å; L105-L108 HydrophobicContact CD2-CD2 4.3Å; L105-L108 HydrophobicContact CD2-CG 4.47Å; L108-L110 HydrophobicContact CD1-CD2 4.34Å; L108-L110 HydrophobicContact CD1-CG 4.13Å; L108-L131 HydrophobicContact CB-CD1 4.32Å; L108-L133 PolarHBondContact N-O 2.98Å; L108-L134 HydrophobicContact CB-CD1 4.01Å; L108-L134 HydrophobicContact CD2-CD1 3.86Å; L108-L134 HydrophobicContact CG-CD1 4.05Å; L108-Y135 PolarHBondContact O-N 2.83Å
109	S	90.4	Very high	93.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	123.6	168.4	-173.9	0	0	0	0	111.6	V82 L84 E85 Y135	V82-S109 PolarHBondContact O-N 2.87Å; L84-S109 PolarHBondContact N-O 2.93Å; E85-S109 VanDerWaalsContact CD-OG 3.23Å; E85-S109 VanDerWaalsContact CG-OG 3.27Å; E85-S109 WeakPolarHBondContact CG-OG 3.34Å; E85-S109 VanDerWaalsContact OE1-CB 3.27Å; E85-S109 WeakPolarHBondContact OE1-CB 3.21Å; E85-S109 PolarHBondContact OE1-OG 3.04Å; S109-Y135 WeakPolarHBondContact CA-O 3.36Å
110	L	94.5	Very high	93.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	18%	0.179	C	C	.	.			trans	-121.2	26.7	172	-61	-178.4	0	0	0	110.6	F34 L84 V96 L99 L108 N113 F115 Y135 L136 N139	F34-L110 HydrophobicContact CE2-CD1 4.16Å; F34-L110 HydrophobicContact CE2-CD2 4.44Å; F34-L110 HydrophobicContact CZ-CD1 4.43Å; F34-L110 HydrophobicContact CZ-CD2 3.97Å; L84-L110 HydrophobicContact CB-CD2 3.91Å; L84-L110 HydrophobicContact CD1-CD2 4.15Å; V96-L110 HydrophobicContact CG1-CD1 4.34Å; V96-L110 HydrophobicContact CG2-CD1 3.84Å; L99-L110 HydrophobicContact CD1-CD1 4.2Å; L99-L110 HydrophobicContact CD1-CD2 4.27Å; L108-L110 HydrophobicContact CD1-CD2 4.34Å; L108-L110 HydrophobicContact CD1-CG 4.13Å; L110-N113 PolarHBondContact O-ND2 2.86Å; L110-F115 HydrophobicContact CB-CD2 4.34Å; L110-F115 HydrophobicContact CB-CE2 4.16Å; L110-F115 HydrophobicContact CD1-CD2 4.45Å; L110-F115 HydrophobicContact CD1-CE2 4.14Å; L110-F115 HydrophobicContact CD1-CZ 4.44Å; L110-F115 HydrophobicContact CD2-CE2 4.42Å; L110-F115 HydrophobicContact CG-CE2 4.49Å; L110-Y135 PolarHBondContact N-O 2.92Å; L110-L136 HydrophobicContact CB-CD2 3.97Å; L110-L136 HydrophobicContact CD1-CD2 4.07Å; L110-L136 HydrophobicContact CG-CD2 4.17Å; L110-N139 PolarHBondContact O-ND2 2.86Å
111	K	89.4	Confident	93.1	Very high	72 Å²	72	33.5 Å²	33.5	31%	0.313	21%	0.211	S	C	.	.			trans	-59.6	147.4	-172.3	170.2	175.2	-179.5	-165.3	0	113	E85 G86 N113 S137	E85-K111 CarbonylContact C-O 3.58Å; E85-K111 WeakPolarHBondContact CA-O 3.49Å; E85-K111 HydrophobicContact CB-CB 4.42Å; E85-K111 HydrophobicContact CG-CB 3.97Å; G86-K111 PolarHBondContact N-O 3.31Å; K111-N113 PolarHBondContact O-ND2 2.96Å; K111-S137 CarbonylContact C-O 3.48Å; K111-S137 VanDerWaalsContact CA-O 3.24Å; K111-S137 WeakPolarHBondContact CA-O 3.41Å; K111-S137 WeakPolarHBondContact CD-OG 3.23Å; K111-S137 VanDerWaalsContact CG-OG 3.29Å; K111-S137 WeakPolarHBondContact CG-OG 3.2Å
112	N	91.7	Very high	93.2	Very high	91 Å²	91	31.4 Å²	31.4	49%	0.487	19%	0.189	S	C	.	.	S	Bend	trans	55.1	54.8	173.9	-67.8	-5.4	0	0	0	112.5	G86 S137 G138	G86-N112 WeakPolarHBondContact CA-O 3Å; G86-N112 PolarHBondContact N-O 3.07Å; N112-S137 PolarHBondContact N-O 2.92Å; N112-G138 CarbonylContact C-O 3.55Å; N112-G138 WeakPolarHBondContact CA-O 3.33Å; N112-G138 PolarHBondContact N-O 2.83Å
113	N	92.5	Very high	93.3	Very high	13 Å²	13	34.4 Å²	34.4	7%	0.07	21%	0.205	C	C	.	.	S	Bend	trans	-126.7	-168	175	-79.4	-61.6	0	0	0	109.1	L84 L87 R88 L89 L110 K111 F115 G138 N139	L84-N113 PolarHBondContact O-ND2 2.64Å; L87-N113 PolarHBondContact N-OD1 2.8Å; L87-N113 VanDerWaalsContact N-OD1 3.07Å; R88-N113 PolarHBondContact N-OD1 2.85Å; L89-N113 HydrophobicContact CB-CB 4.47Å; L89-N113 PolarHBondContact N-OD1 2.88Å; L89-N113 WeakPolarHBondContact O-CB 3.44Å; L110-N113 PolarHBondContact O-ND2 2.86Å; K111-N113 PolarHBondContact O-ND2 2.96Å; N113-F115 HydrophobicContact CB-CD2 3.65Å; N113-F115 HydrophobicContact CB-CE2 3.79Å; N113-G138 PolarHBondContact N-O 2.81Å; N113-G138 VanDerWaalsContact O-O 3.11Å; N113-N139 WeakPolarHBondContact CA-OD1 3.49Å; N113-N139 WeakPolarHBondContact CB-OD1 3.49Å; N113-N139 PolarHBondContact N-OD1 2.92Å; N113-N139 PolarHBondContact O-OD1 2.89Å
114	S	96.1	Very high	93.6	Very high	75 Å²	75	32.1 Å²	32.1	52%	0.524	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	27.5	-177.1	-56.7	0	0	0	0	112.1	L89 N139	L89-S114 WeakPolarHBondContact O-CA 3.37Å; L89-S114 PolarHBondContact O-N 2.94Å; S114-N139 PolarHBondContact N-OD1 2.83Å
115	F	97.5	Very high	93.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	146.8	177.3	-69	-77.8	0	0	0	111.3	F34 C38 L89 G90 G91 A95 L110 N113 N139 G140 F141	F34-F115 HydrophobicContact CE2-CE1 4.1Å; F34-F115 AromaticContact CE2-CZ 3.95Å; F34-F115 HydrophobicContact CE2-CZ 3.95Å; F34-F115 HydrophobicContact CZ-CE1 4.17Å; F34-F115 AromaticContact CZ-CZ 3.61Å; F34-F115 HydrophobicContact CZ-CZ 3.61Å; C38-F115 HydrophobicContact CB-CE1 4.3Å; L89-F115 HydrophobicContact CB-CE2 3.77Å; L89-F115 HydrophobicContact CB-CZ 3.64Å; G90-F115 VanDerWaalsContact O-CE1 3.32Å; G90-F115 WeakPolarHBondContact O-CE1 3.17Å; G91-F115 CarbonylContact O-C 3.39Å; G91-F115 WeakPolarHBondContact O-CA 3.11Å; A95-F115 HydrophobicContact CB-CE1 4.4Å; L110-F115 HydrophobicContact CB-CD2 4.34Å; L110-F115 HydrophobicContact CB-CE2 4.16Å; L110-F115 HydrophobicContact CD1-CD2 4.45Å; L110-F115 HydrophobicContact CD1-CE2 4.14Å; L110-F115 HydrophobicContact CD1-CZ 4.44Å; L110-F115 HydrophobicContact CD2-CE2 4.42Å; L110-F115 HydrophobicContact CG-CE2 4.49Å; N113-F115 HydrophobicContact CB-CD2 3.65Å; N113-F115 HydrophobicContact CB-CE2 3.79Å; F115-N139 HydrophobicContact CB-CB 4.43Å; F115-N139 WeakPolarHBondContact CD2-OD1 3.39Å; F115-N139 PolarHBondContact N-OD1 3.25Å; F115-N139 VanDerWaalsContact N-OD1 3.11Å; F115-G140 CarbonylContact O-C 3.34Å; F115-G140 VanDerWaalsContact O-C 3.28Å; F115-G140 WeakPolarHBondContact O-CA 3.26Å; F115-G140 PolarHBondContact O-N 2.89Å; F115-F141 HydrophobicContact CB-CD1 4.39Å; F115-F141 HydrophobicContact CB-CE1 3.54Å; F115-F141 HydrophobicContact CB-CE2 3.96Å; F115-F141 HydrophobicContact CB-CZ 3.28Å; F115-F141 HydrophobicContact CD2-CZ 4.46Å; F115-F141 HydrophobicContact CG-CE1 4.46Å; F115-F141 AromaticContact CG-CZ 3.97Å; F115-F141 HydrophobicContact CG-CZ 3.97Å; F115-F141 PolarHBondContact O-N 3.25Å
116	T	96.9	Very high	93.8	Very high	64 Å²	64	33.9 Å²	33.9	39%	0.393	21%	0.205	S	C	.	.			trans	-133.1	-169.9	-177.5	60	0	0	0	0	110.3	G91 D92 A93 F141	G91-T116 PolarHBondContact O-N 3.1Å; G91-T116 PolarHBondContact O-OG1 2.92Å; D92-T116 CarbonylContact C-O 3.44Å; A93-T116 PolarHBondContact N-O 3.48Å; T116-F141 WeakPolarHBondContact O-CD1 3.48Å
117	G	96.1	Very high	94.1	Very high	12 Å²	12	33.7 Å²	33.7	12%	0.124	20%	0.204	C	C	.	.	S	Bend	trans	87.6	176.4	178.3	0	0	0	0	0	114.9	D92 S142	D92-G117 WeakPolarHBondContact OD1-CA 3.39Å; G117-S142 PolarHBondContact O-N 3.49Å; G117-S142 PolarHBondContact O-OG 2.91Å
118	S	96.7	Very high	94.3	Very high	33 Å²	33	35.6 Å²	35.6	23%	0.231	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-91.3	120.7	-178.9	176.1	0	0	0	0	111.1	A93 G120 S142	A93-S118 WeakPolarHBondContact CB-O 3.34Å; S118-G120 PolarHBondContact O-N 2.76Å; S118-G120 PolarHBondContact OG-N 2.77Å; S118-S142 WeakPolarHBondContact CA-O 3.46Å
119	L	96.3	Very high	94.2	Very high	0 Å²	0	39 Å²	39	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-72.3	-10	171.9	-67.5	173.1	0	0	0	112.7	A93 D121 V122 F124 L136 F141 P146 L160	A93-L119 HydrophobicContact CB-CD2 4.24Å; L119-D121 PolarHBondContact O-N 3.24Å; L119-V122 HydrophobicContact CD2-CG2 4.39Å; L119-V122 PolarHBondContact O-N 2.75Å; L119-F124 HydrophobicContact CD2-CE2 4.41Å; L119-F124 HydrophobicContact CD2-CZ 4.18Å; L119-L136 HydrophobicContact CD1-CD1 3.75Å; L119-L136 HydrophobicContact CD2-CD1 4.03Å; L119-F141 HydrophobicContact CD1-CB 3.93Å; L119-F141 HydrophobicContact CD1-CD1 4.23Å; L119-F141 HydrophobicContact CD1-CD2 4.01Å; L119-F141 HydrophobicContact CD1-CG 3.8Å; L119-F141 HydrophobicContact CD2-CD1 3.69Å; L119-F141 HydrophobicContact CD2-CE1 3.72Å; L119-F141 HydrophobicContact CD2-CG 4.11Å; L119-F141 HydrophobicContact CD2-CZ 4.16Å; L119-F141 HydrophobicContact CG-CB 4.06Å; L119-F141 HydrophobicContact CG-CD1 3.76Å; L119-F141 HydrophobicContact CG-CD2 4.44Å; L119-F141 HydrophobicContact CG-CE1 4.32Å; L119-F141 HydrophobicContact CG-CG 3.84Å; L119-P146 HydrophobicContact CB-CB 3.92Å; L119-P146 HydrophobicContact CB-CG 4.21Å; L119-P146 WeakPolarHBondContact O-CB 3.44Å; L119-L160 HydrophobicContact CD1-CD2 4.32Å
120	G	92.8	Very high	94.4	Very high	37 Å²	37	42.2 Å²	42.2	38%	0.381	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-62.4	-30	179	0	0	0	0	0	113.6	S118 V122	S118-G120 PolarHBondContact O-N 2.76Å; S118-G120 PolarHBondContact OG-N 2.77Å; G120-V122 VanDerWaalsContact C-N 3.34Å
121	D	88.5	Confident	94.4	Very high	143 Å²	143	42.2 Å²	42.2	77%	0.765	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-87.9	-5.5	-178.5	-54.3	-53.9	0	0	0	112.6	L119	L119-D121 PolarHBondContact O-N 3.24Å
122	V	94.8	Very high	94.4	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.018	25%	0.254	C	S	.	.			trans	-87.4	118.8	177.6	-178	0	0	0	0	109.7	A93 A97 L119 G120 F124 S148	A93-V122 HydrophobicContact CB-CG2 4.11Å; A93-V122 WeakPolarHBondContact O-CG2 3.44Å; A97-V122 HydrophobicContact CB-CG1 4.2Å; A97-V122 HydrophobicContact CB-CG2 4.33Å; L119-V122 HydrophobicContact CD2-CG2 4.39Å; L119-V122 PolarHBondContact O-N 2.75Å; G120-V122 VanDerWaalsContact C-N 3.34Å; V122-F124 HydrophobicContact CB-CD2 4.24Å; V122-F124 HydrophobicContact CB-CE2 3.77Å; V122-F124 HydrophobicContact CB-CZ 4.15Å; V122-F124 HydrophobicContact CG1-CD1 4.32Å; V122-F124 HydrophobicContact CG1-CD2 3.98Å; V122-F124 HydrophobicContact CG1-CE1 4Å; V122-F124 HydrophobicContact CG1-CE2 3.64Å; V122-F124 HydrophobicContact CG1-CG 4.31Å; V122-F124 HydrophobicContact CG1-CZ 3.65Å; V122-F124 PolarHBondContact O-N 3.26Å; V122-F124 VanDerWaalsContact O-N 3.12Å; V122-S148 PolarHBondContact O-OG 3.15Å
123	D	95.3	Very high	94.3	Very high	64 Å²	64	37.4 Å²	37.4	34%	0.342	23%	0.232	S	C	.	.			trans	-83.1	86.2	175.2	-167.1	-2.7	0	0	0	112.4	S125 T126 R151	D123-S125 VanDerWaalsContact CG-OG 3.26Å; D123-S125 PolarHBondContact O-N 3.31Å; D123-S125 WeakPolarHBondContact OD1-CB 3.47Å; D123-S125 PolarHBondContact OD1-N 3.45Å; D123-S125 PolarHBondContact OD1-OG 2.7Å; D123-S125 PolarHBondContact OD2-OG 2.91Å; D123-T126 PolarHBondContact O-OG1 2.88Å; D123-R151 IonicContact OD1-CZ 3.9Å; D123-R151 IonicContact OD1-NH2 2.7Å; D123-R151 PolarHBondContact OD1-NH2 3.11Å; D123-R151 IonicContact OD2-CZ 2.8Å; D123-R151 IonicContact OD2-NH2 3.75Å; D123-R151 PolarHBondContact OD2-NH2 2.82Å
124	F	95.9	Very high	94.5	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-67.2	-10.5	174.4	-69.8	-76.4	0	0	0	114.2	V96 L119 V122 T126 L127 L134 L136 P146 S148 V149 L152	V96-F124 HydrophobicContact CG1-CE1 4.06Å; V96-F124 HydrophobicContact CG1-CZ 4.04Å; L119-F124 HydrophobicContact CD2-CE2 4.41Å; L119-F124 HydrophobicContact CD2-CZ 4.18Å; V122-F124 HydrophobicContact CB-CD2 4.24Å; V122-F124 HydrophobicContact CB-CE2 3.77Å; V122-F124 HydrophobicContact CB-CZ 4.15Å; V122-F124 HydrophobicContact CG1-CD1 4.32Å; V122-F124 HydrophobicContact CG1-CD2 3.98Å; V122-F124 HydrophobicContact CG1-CE1 4Å; V122-F124 HydrophobicContact CG1-CE2 3.64Å; V122-F124 HydrophobicContact CG1-CG 4.31Å; V122-F124 HydrophobicContact CG1-CZ 3.65Å; V122-F124 PolarHBondContact O-N 3.26Å; V122-F124 VanDerWaalsContact O-N 3.12Å; F124-T126 PolarHBondContact O-N 3.09Å; F124-L127 HydrophobicContact CD1-CD1 4.13Å; F124-L127 WeakPolarHBondContact O-CB 3.39Å; F124-L127 PolarHBondContact O-N 2.83Å; F124-L127 VanDerWaalsContact O-N 3.15Å; F124-L134 HydrophobicContact CD1-CD2 4.12Å; F124-L134 HydrophobicContact CE1-CD1 4.26Å; F124-L134 HydrophobicContact CE1-CD2 4.1Å; F124-L136 HydrophobicContact CZ-CD1 4Å; F124-P146 HydrophobicContact CD2-CB 4.15Å; F124-P146 HydrophobicContact CE2-CB 4.01Å; F124-S148 WeakPolarHBondContact CD2-OG 3.48Å; F124-S148 PolarHBondContact N-OG 3.05Å; F124-V149 HydrophobicContact CB-CG2 3.96Å; F124-V149 HydrophobicContact CD2-CG2 3.49Å; F124-V149 VanDerWaalsContact CD2-CG2 3.49Å; F124-V149 HydrophobicContact CE2-CG2 4.17Å; F124-V149 HydrophobicContact CG-CG2 3.8Å; F124-L152 HydrophobicContact CB-CD1 4.25Å; F124-L152 WeakPolarHBondContact O-CD2 3.44Å
125	S	94.8	Very high	94.3	Very high	25 Å²	25	34.6 Å²	34.6	18%	0.175	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-70.1	-20.8	-175.8	75.4	0	0	0	0	113.9	D123 L127 A128 R151	D123-S125 VanDerWaalsContact CG-OG 3.26Å; D123-S125 PolarHBondContact O-N 3.31Å; D123-S125 WeakPolarHBondContact OD1-CB 3.47Å; D123-S125 PolarHBondContact OD1-N 3.45Å; D123-S125 PolarHBondContact OD1-OG 2.7Å; D123-S125 PolarHBondContact OD2-OG 2.91Å; S125-L127 PolarHBondContact O-N 3.45Å; S125-A128 WeakPolarHBondContact O-CB 3.49Å; S125-A128 PolarHBondContact O-N 3.45Å; S125-R151 VanDerWaalsContact CB-CZ 3.41Å; S125-R151 PolarHBondContact OG-NE 3.13Å; S125-R151 PolarHBondContact OG-NH1 3.38Å; S125-R151 PolarHBondContact OG-NH2 2.92Å; S125-R151 VanDerWaalsContact OG-NH2 3.11Å
126	T	95	Very high	94.2	Very high	72 Å²	72	34.6 Å²	34.6	44%	0.442	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-62.3	-21	172.7	58.8	0	0	0	0	112.6	A100 D123 F124 A128	A100-T126 WeakPolarHBondContact O-CB 3.32Å; A100-T126 PolarHBondContact O-OG1 3.27Å; D123-T126 PolarHBondContact O-OG1 2.88Å; F124-T126 PolarHBondContact O-N 3.09Å; T126-A128 VanDerWaalsContact C-N 3.31Å
127	L	95.9	Very high	94.1	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-86.3	-1.2	177.3	-56.4	176.2	0	0	0	112.9	A100 L102 L105 F124 S125 H130 L131 L152	A100-L127 HydrophobicContact CB-CG 4.46Å; A100-L127 WeakPolarHBondContact O-CD2 3.47Å; L102-L127 WeakPolarHBondContact O-CD2 3.15Å; L105-L127 HydrophobicContact CB-CD2 4.05Å; L105-L127 HydrophobicContact CD2-CD1 4.33Å; L105-L127 HydrophobicContact CD2-CD2 4.2Å; F124-L127 HydrophobicContact CD1-CD1 4.13Å; F124-L127 WeakPolarHBondContact O-CB 3.39Å; F124-L127 PolarHBondContact O-N 2.83Å; F124-L127 VanDerWaalsContact O-N 3.15Å; S125-L127 PolarHBondContact O-N 3.45Å; L127-H130 PolarHBondContact O-N 3.06Å; L127-H130 VanDerWaalsContact O-N 3.1Å; L127-L131 HydrophobicContact CB-CB 3.84Å; L127-L131 HydrophobicContact CB-CD1 4.48Å; L127-L131 HydrophobicContact CB-CD2 4.15Å; L127-L131 HydrophobicContact CB-CG 4.37Å; L127-L131 HydrophobicContact CD1-CD1 4.13Å; L127-L131 HydrophobicContact CD1-CD2 3.72Å; L127-L131 HydrophobicContact CD1-CG 4.41Å; L127-L131 PolarHBondContact O-N 3Å; L127-L152 HydrophobicContact CB-CD2 4.49Å
128	A	94.3	Very high	94	Very high	41 Å²	41	32.6 Å²	32.6	34%	0.339	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	149.4	171.7	0	0	0	0	0	111.3	S125 T126 H130 L152	S125-A128 WeakPolarHBondContact O-CB 3.49Å; S125-A128 PolarHBondContact O-N 3.45Å; T126-A128 VanDerWaalsContact C-N 3.31Å; A128-H130 VanDerWaalsContact C-N 3.32Å; A128-L152 HydrophobicContact CB-CD2 3.89Å
129	P	93.8	Very high	93.9	Very high	72 Å²	72	31.7 Å²	31.7	47%	0.468	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	cis	-86.6	3.9	-6.5	35.7	-36.1	0	0	0	113.2
130	H	93.8	Very high	94	Very high	67 Å²	67	32.2 Å²	32.2	31%	0.31	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-30.3	-163.2	-62.2	109.5	0	0	0	114.2	P103 M104 L105 S106 L127 A128 K132	P103-H130 PolarHBondContact O-ND1 2.67Å; M104-H130 PolarHBondContact SD-CE1 3.43Å; L105-H130 CarbonylContact O-C 3.53Å; S106-H130 VanDerWaalsContact CA-O 3.23Å; S106-H130 WeakPolarHBondContact CA-O 3.36Å; S106-H130 WeakPolarHBondContact CB-O 3.23Å; L127-H130 PolarHBondContact O-N 3.06Å; L127-H130 VanDerWaalsContact O-N 3.1Å; A128-H130 VanDerWaalsContact C-N 3.32Å; H130-K132 WeakPolarHBondContact O-CG 3.44Å; H130-K132 PolarHBondContact O-N 3.08Å
131	L	94.8	Very high	94.2	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	18%	0.179	C	C	.	.			trans	-66.3	122.3	-177.3	-157.4	72.1	0	0	0	111.6	L105 L108 L127 L134 L152 L155	L105-L131 HydrophobicContact CB-CD1 4.5Å; L105-L131 HydrophobicContact CD2-CD1 4.32Å; L105-L131 HydrophobicContact CG-CD1 4.15Å; L105-L131 WeakPolarHBondContact O-CA 3.37Å; L105-L131 WeakPolarHBondContact O-CD1 3.49Å; L105-L131 PolarHBondContact O-N 3.42Å; L108-L131 HydrophobicContact CB-CD1 4.32Å; L127-L131 HydrophobicContact CB-CB 3.84Å; L127-L131 HydrophobicContact CB-CD1 4.48Å; L127-L131 HydrophobicContact CB-CD2 4.15Å; L127-L131 HydrophobicContact CB-CG 4.37Å; L127-L131 HydrophobicContact CD1-CD1 4.13Å; L127-L131 HydrophobicContact CD1-CD2 3.72Å; L127-L131 HydrophobicContact CD1-CG 4.41Å; L127-L131 PolarHBondContact O-N 3Å; L131-L134 HydrophobicContact CD2-CB 4.23Å; L131-L134 HydrophobicContact CD2-CD1 4.46Å; L131-L134 HydrophobicContact CD2-CD2 4.3Å; L131-L152 HydrophobicContact CB-CD1 4.18Å; L131-L152 HydrophobicContact CB-CD2 4.26Å; L131-L152 HydrophobicContact CD2-CD1 3.5Å; L131-L152 VanDerWaalsContact CD2-CD1 3.5Å; L131-L152 HydrophobicContact CG-CD1 4.35Å; L131-L155 HydrophobicContact CD2-CD1 4.34Å; L131-L155 HydrophobicContact CG-CD1 4.38Å
132	K	89	Confident	94.6	Very high	60 Å²	60	25.8 Å²	25.8	26%	0.261	16%	0.158	S	C	.	.			trans	-119.4	-44.7	177.4	-58	-178.2	-167.7	179.5	0	111	S106 H130 L155 R156 R157 E564	S106-K132 PolarHBondContact O-N 3.43Å; H130-K132 WeakPolarHBondContact O-CG 3.44Å; H130-K132 PolarHBondContact O-N 3.08Å; K132-L155 WeakPolarHBondContact O-CD1 3.48Å; K132-R156 HydrophobicContact CB-CB 4.38Å; K132-R156 HydrophobicContact CB-CG 4.14Å; K132-R156 PolarHBondContact O-N 2.84Å; K132-R157 PolarHBondContact O-N 3.13Å; K132-R157 VanDerWaalsContact O-N 3.14Å; K132-E564 WeakPolarHBondContact CB-OE1 3.42Å; K132-E564 WeakPolarHBondContact CD-OE1 3.29Å
133	L	90	Very high	94.8	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	100.1	178.9	28.6	135.1	0	0	0	116.5	S106 F107 L108 Y135 R156 R157 E564 T566 E568	S106-L133 PolarHBondContact O-N 2.82Å; F107-L133 HydrophobicContact CD2-CB 3.89Å; F107-L133 HydrophobicContact CD2-CD1 3.6Å; F107-L133 HydrophobicContact CD2-CG 4.01Å; F107-L133 HydrophobicContact CE2-CB 3.75Å; F107-L133 HydrophobicContact CE2-CD1 3.43Å; F107-L133 VanDerWaalsContact CE2-CD1 3.43Å; F107-L133 HydrophobicContact CE2-CG 4.05Å; L108-L133 PolarHBondContact N-O 2.98Å; L133-Y135 HydrophobicContact CB-CD2 4.23Å; L133-Y135 HydrophobicContact CB-CE2 3.56Å; L133-Y135 HydrophobicContact CD1-CE2 4.29Å; L133-Y135 HydrophobicContact CG-CE2 4.48Å; L133-R156 HydrophobicContact CD2-CB 3.73Å; L133-R157 HydrophobicContact CB-CB 4.35Å; L133-R157 HydrophobicContact CD2-CB 3.69Å; L133-R157 HydrophobicContact CD2-CG 3.58Å; L133-E564 VanDerWaalsContact CD1-OE2 3.23Å; L133-E564 WeakPolarHBondContact CD1-OE2 3.37Å; L133-E564 WeakPolarHBondContact CD2-OE2 3.17Å; L133-E564 WeakPolarHBondContact CG-OE2 3.36Å; L133-T566 HydrophobicContact CD1-CG2 4.18Å; L133-E568 HydrophobicContact CD1-CG 4.5Å
134	L	95.3	Very high	94.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	109.1	172.3	-174.9	58.3	0	0	0	112.8	L108 F124 L131 L136 V149 L155 R157 L158 D159	L108-L134 HydrophobicContact CB-CD1 4.01Å; L108-L134 HydrophobicContact CD2-CD1 3.86Å; L108-L134 HydrophobicContact CG-CD1 4.05Å; F124-L134 HydrophobicContact CD1-CD2 4.12Å; F124-L134 HydrophobicContact CE1-CD1 4.26Å; F124-L134 HydrophobicContact CE1-CD2 4.1Å; L131-L134 HydrophobicContact CD2-CB 4.23Å; L131-L134 HydrophobicContact CD2-CD1 4.46Å; L131-L134 HydrophobicContact CD2-CD2 4.3Å; L134-L136 HydrophobicContact CD1-CD1 4.14Å; L134-L136 HydrophobicContact CD1-CD2 4.2Å; L134-L136 HydrophobicContact CD1-CG 3.96Å; L134-L136 HydrophobicContact CG-CD1 4.42Å; L134-L136 HydrophobicContact CG-CG 4.34Å; L134-V149 HydrophobicContact CD2-CG2 4.04Å; L134-L155 HydrophobicContact CB-CD1 4.09Å; L134-R157 PolarHBondContact N-O 3.29Å; L134-L158 HydrophobicContact CB-CD1 4.15Å; L134-L158 HydrophobicContact CD2-CD1 3.84Å; L134-L158 HydrophobicContact CG-CD1 4.05Å; L134-L158 WeakPolarHBondContact O-CA 3.4Å; L134-D159 PolarHBondContact O-N 3.2Å
135	Y	93.3	Very high	94.9	Very high	29 Å²	29	31.9 Å²	31.9	11%	0.114	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	109.8	-179.9	-56.7	-85.6	0	0	0	111.4	F107 L108 S109 L110 L133 R157 D159 E568	F107-Y135 HydrophobicContact CE1-CD2 4.34Å; F107-Y135 AromaticContact CE2-CD2 3.99Å; F107-Y135 HydrophobicContact CE2-CD2 3.99Å; F107-Y135 AromaticContact CE2-CE2 3.5Å; F107-Y135 HydrophobicContact CE2-CE2 3.5Å; F107-Y135 AromaticContact CZ-CD2 3.5Å; F107-Y135 HydrophobicContact CZ-CD2 3.5Å; F107-Y135 VanDerWaalsContact CZ-CD2 3.5Å; F107-Y135 AromaticContact CZ-CE2 3.42Å; F107-Y135 HydrophobicContact CZ-CE2 3.42Å; F107-Y135 VanDerWaalsContact CZ-CE2 3.42Å; L108-Y135 PolarHBondContact O-N 2.83Å; S109-Y135 WeakPolarHBondContact CA-O 3.36Å; L110-Y135 PolarHBondContact N-O 2.92Å; L133-Y135 HydrophobicContact CB-CD2 4.23Å; L133-Y135 HydrophobicContact CB-CE2 3.56Å; L133-Y135 HydrophobicContact CD1-CE2 4.29Å; L133-Y135 HydrophobicContact CG-CE2 4.48Å; Y135-R157 HydrophobicContact CE1-CB 4.35Å; Y135-R157 WeakPolarHBondContact OH-CD 3.3Å; Y135-R157 PolarHBondContact OH-NH1 3.04Å; Y135-D159 HydrophobicContact CD1-CB 3.55Å; Y135-D159 HydrophobicContact CE1-CB 4.24Å; Y135-D159 HydrophobicContact CG-CB 4.46Å; Y135-E568 PolarHBondContact OH-OE2 2.81Å
136	L	96	Very high	95	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.175	C	C	.	.			trans	-122.1	16.9	178.7	-58	178	0	0	0	111.5	L110 L119 F124 L134 N139 F141 D159 L160 N163	L110-L136 HydrophobicContact CB-CD2 3.97Å; L110-L136 HydrophobicContact CD1-CD2 4.07Å; L110-L136 HydrophobicContact CG-CD2 4.17Å; L119-L136 HydrophobicContact CD1-CD1 3.75Å; L119-L136 HydrophobicContact CD2-CD1 4.03Å; F124-L136 HydrophobicContact CZ-CD1 4Å; L134-L136 HydrophobicContact CD1-CD1 4.14Å; L134-L136 HydrophobicContact CD1-CD2 4.2Å; L134-L136 HydrophobicContact CD1-CG 3.96Å; L134-L136 HydrophobicContact CG-CD1 4.42Å; L134-L136 HydrophobicContact CG-CG 4.34Å; L136-N139 PolarHBondContact O-ND2 3.36Å; L136-N139 VanDerWaalsContact O-ND2 3.12Å; L136-F141 HydrophobicContact CB-CD2 4.19Å; L136-F141 HydrophobicContact CB-CE2 3.87Å; L136-F141 HydrophobicContact CD2-CE2 4.38Å; L136-F141 HydrophobicContact CG-CE2 4.49Å; L136-D159 PolarHBondContact N-O 2.92Å; L136-L160 HydrophobicContact CB-CD2 3.87Å; L136-L160 HydrophobicContact CD1-CD2 3.96Å; L136-L160 HydrophobicContact CG-CD2 4.25Å; L136-N163 PolarHBondContact O-ND2 2.89Å
137	S	93.7	Very high	95	Very high	6 Å²	6	32.5 Å²	32.5	4%	0.042	18%	0.178	C	C	.	.			trans	-67.4	151.2	-174.2	62.4	0	0	0	0	113.5	K111 N112 N139 D159 S161	K111-S137 CarbonylContact C-O 3.48Å; K111-S137 VanDerWaalsContact CA-O 3.24Å; K111-S137 WeakPolarHBondContact CA-O 3.41Å; K111-S137 WeakPolarHBondContact CD-OG 3.23Å; K111-S137 VanDerWaalsContact CG-OG 3.29Å; K111-S137 WeakPolarHBondContact CG-OG 3.2Å; N112-S137 PolarHBondContact N-O 2.92Å; S137-N139 PolarHBondContact O-ND2 2.83Å; S137-D159 WeakPolarHBondContact CB-OD1 3.47Å; S137-D159 PolarHBondContact N-O 3.22Å; S137-S161 CarbonylContact C-O 3.58Å; S137-S161 WeakPolarHBondContact CA-O 3.36Å; S137-S161 WeakPolarHBondContact CB-O 3.26Å
138	G	93.9	Very high	95	Very high	27 Å²	27	33 Å²	33	28%	0.278	18%	0.182	S	C	.	.	S	Bend	trans	69.1	44.9	176.1	0	0	0	0	0	112.5	N112 N113 S161 G162	N112-G138 CarbonylContact C-O 3.55Å; N112-G138 WeakPolarHBondContact CA-O 3.33Å; N112-G138 PolarHBondContact N-O 2.83Å; N113-G138 PolarHBondContact N-O 2.81Å; N113-G138 VanDerWaalsContact O-O 3.11Å; G138-S161 PolarHBondContact N-O 3.18Å; G138-G162 VanDerWaalsContact CA-O 3.26Å; G138-G162 WeakPolarHBondContact CA-O 3.4Å; G138-G162 PolarHBondContact N-O 3.37Å
139	N	95.3	Very high	95.1	Very high	15 Å²	15	31.1 Å²	31.1	8%	0.08	17%	0.166	C	C	.	.	S	Bend	trans	-127	-173.5	174.8	-80	-77.8	0	0	0	109.3	L110 N113 S114 F115 L136 S137 F141 G162 N163	L110-N139 PolarHBondContact O-ND2 2.86Å; N113-N139 WeakPolarHBondContact CA-OD1 3.49Å; N113-N139 WeakPolarHBondContact CB-OD1 3.49Å; N113-N139 PolarHBondContact N-OD1 2.92Å; N113-N139 PolarHBondContact O-OD1 2.89Å; S114-N139 PolarHBondContact N-OD1 2.83Å; F115-N139 HydrophobicContact CB-CB 4.43Å; F115-N139 WeakPolarHBondContact CD2-OD1 3.39Å; F115-N139 PolarHBondContact N-OD1 3.25Å; F115-N139 VanDerWaalsContact N-OD1 3.11Å; L136-N139 PolarHBondContact O-ND2 3.36Å; L136-N139 VanDerWaalsContact O-ND2 3.12Å; S137-N139 PolarHBondContact O-ND2 2.83Å; N139-F141 HydrophobicContact CB-CD2 3.56Å; N139-F141 HydrophobicContact CB-CE2 3.64Å; N139-F141 HydrophobicContact CB-CG 4.4Å; N139-G162 PolarHBondContact N-O 2.75Å; N139-G162 VanDerWaalsContact O-O 3.05Å; N139-N163 WeakPolarHBondContact CA-OD1 3.37Å; N139-N163 WeakPolarHBondContact CB-OD1 3.39Å; N139-N163 PolarHBondContact N-OD1 2.98Å; N139-N163 PolarHBondContact O-OD1 3.5Å; N139-N163 VanDerWaalsContact O-OD1 3.11Å
140	G	97.3	Very high	95.2	Very high	10 Å²	10	27.8 Å²	27.8	10%	0.103	15%	0.145	C	C	.	.			trans	-102.4	20.8	173	0	0	0	0	0	114.2	F115 S142	F115-G140 CarbonylContact O-C 3.34Å; F115-G140 VanDerWaalsContact O-C 3.28Å; F115-G140 WeakPolarHBondContact O-CA 3.26Å; F115-G140 PolarHBondContact O-N 2.89Å; G140-S142 PolarHBondContact O-N 2.76Å
141	F	98.3	Very high	95.3	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.			trans	-59	135.8	-179.9	-66	-62.4	0	0	0	110.8	A93 V96 F115 T116 L119 L136 N139 N163 R164	A93-F141 HydrophobicContact CB-CD1 4.37Å; A93-F141 HydrophobicContact CB-CE1 4.32Å; V96-F141 HydrophobicContact CG2-CE1 4Å; V96-F141 HydrophobicContact CG2-CZ 3.81Å; F115-F141 HydrophobicContact CB-CD1 4.39Å; F115-F141 HydrophobicContact CB-CE1 3.54Å; F115-F141 HydrophobicContact CB-CE2 3.96Å; F115-F141 HydrophobicContact CB-CZ 3.28Å; F115-F141 HydrophobicContact CD2-CZ 4.46Å; F115-F141 HydrophobicContact CG-CE1 4.46Å; F115-F141 AromaticContact CG-CZ 3.97Å; F115-F141 HydrophobicContact CG-CZ 3.97Å; F115-F141 PolarHBondContact O-N 3.25Å; T116-F141 WeakPolarHBondContact O-CD1 3.48Å; L119-F141 HydrophobicContact CD1-CB 3.93Å; L119-F141 HydrophobicContact CD1-CD1 4.23Å; L119-F141 HydrophobicContact CD1-CD2 4.01Å; L119-F141 HydrophobicContact CD1-CG 3.8Å; L119-F141 HydrophobicContact CD2-CD1 3.69Å; L119-F141 HydrophobicContact CD2-CE1 3.72Å; L119-F141 HydrophobicContact CD2-CG 4.11Å; L119-F141 HydrophobicContact CD2-CZ 4.16Å; L119-F141 HydrophobicContact CG-CB 4.06Å; L119-F141 HydrophobicContact CG-CD1 3.76Å; L119-F141 HydrophobicContact CG-CD2 4.44Å; L119-F141 HydrophobicContact CG-CE1 4.32Å; L119-F141 HydrophobicContact CG-CG 3.84Å; L136-F141 HydrophobicContact CB-CD2 4.19Å; L136-F141 HydrophobicContact CB-CE2 3.87Å; L136-F141 HydrophobicContact CD2-CE2 4.38Å; L136-F141 HydrophobicContact CG-CE2 4.49Å; N139-F141 HydrophobicContact CB-CD2 3.56Å; N139-F141 HydrophobicContact CB-CE2 3.64Å; N139-F141 HydrophobicContact CB-CG 4.4Å; F141-N163 HydrophobicContact CB-CB 4.37Å; F141-N163 WeakPolarHBondContact CB-OD1 3.48Å; F141-N163 WeakPolarHBondContact CD2-OD1 3.45Å; F141-N163 PolarHBondContact N-OD1 2.65Å; F141-N163 VanDerWaalsContact N-OD1 3.1Å; F141-R164 CarbonylContact O-C 3.43Å; F141-R164 VanDerWaalsContact O-CA 3.29Å; F141-R164 WeakPolarHBondContact O-CA 3.44Å; F141-R164 WeakPolarHBondContact O-CB 3.21Å; F141-R164 PolarHBondContact O-N 3.41Å
142	S	97.2	Very high	95.4	Very high	46 Å²	46	31 Å²	31	32%	0.322	15%	0.154	S	C	.	.	B	Isolated β-bridge	trans	-127.1	-171.9	-173.8	65.1	0	0	0	0	110.8	G117 S118 G140 R164	G117-S142 PolarHBondContact O-N 3.49Å; G117-S142 PolarHBondContact O-OG 2.91Å; S118-S142 WeakPolarHBondContact CA-O 3.46Å; G140-S142 PolarHBondContact O-N 2.76Å; S142-R164 WeakPolarHBondContact CA-O 3.45Å
143	G	97.2	Very high	95.6	Very high	23 Å²	23	36.9 Å²	36.9	24%	0.237	18%	0.175	C	C	.	.	S	Bend	trans	76.9	-155.7	-179.6	0	0	0	0	0	112.8	T166	G143-T166 PolarHBondContact O-N 2.69Å; G143-T166 PolarHBondContact O-OG1 3.12Å
144	R	96.9	Very high	95.8	Very high	166 Å²	166	41.4 Å²	41.4	63%	0.626	20%	0.196	S	C	*	.	S	Bend	trans	-85.8	165.2	-173.7	-59.5	-174.3	-179.4	160.7	2.9	111.7	C167	R144-C167 HydrophobicContact CG-CB 4Å
145	F	97.2	Very high	95.7	Very high	6 Å²	6	41.4 Å²	41.4	3%	0.026	20%	0.196	C	C	.	.			trans	-55.1	135.1	167.5	-175.7	-79	0	0	0	110.5	E147 L150 L158 L160 P170 I173 L185	F145-E147 PolarHBondContact O-N 3.32Å; F145-L150 HydrophobicContact CE1-CD2 3.93Å; F145-L150 HydrophobicContact CE1-CG 4.2Å; F145-L150 HydrophobicContact CZ-CD2 4.41Å; F145-L158 HydrophobicContact CE2-CD2 4.03Å; F145-L158 HydrophobicContact CZ-CD2 3.63Å; F145-L160 HydrophobicContact CD2-CD1 4.23Å; F145-L160 HydrophobicContact CE2-CD1 4.01Å; F145-P170 HydrophobicContact CB-CG 4.03Å; F145-P170 HydrophobicContact CD1-CG 3.52Å; F145-P170 HydrophobicContact CE1-CG 4.18Å; F145-P170 HydrophobicContact CG-CG 3.86Å; F145-I173 HydrophobicContact CE2-CD1 4.03Å; F145-I173 HydrophobicContact CZ-CD1 3.75Å; F145-L185 HydrophobicContact CD2-CD2 4.36Å; F145-L185 HydrophobicContact CE2-CD1 4.48Å; F145-L185 HydrophobicContact CE2-CD2 4.05Å
146	P	95.9	Very high	95.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.2	C	C	.	.			trans	-72.4	94.5	-178.6	29.6	-35.8	0	0	0	111.6	L119 F124 S148 V149 L160	L119-P146 HydrophobicContact CB-CB 3.92Å; L119-P146 HydrophobicContact CB-CG 4.21Å; L119-P146 WeakPolarHBondContact O-CB 3.44Å; F124-P146 HydrophobicContact CD2-CB 4.15Å; F124-P146 HydrophobicContact CE2-CB 4.01Å; P146-S148 PolarHBondContact O-N 3.42Å; P146-V149 HydrophobicContact CB-CG2 3.93Å; P146-V149 HydrophobicContact CG-CG2 3.73Å; P146-V149 VanDerWaalsContact O-CB 3.26Å; P146-V149 WeakPolarHBondContact O-CB 2.92Å; P146-V149 WeakPolarHBondContact O-CG2 3.33Å; P146-V149 PolarHBondContact O-N 3.22Å; P146-V149 VanDerWaalsContact O-N 3.08Å; P146-L160 HydrophobicContact CG-CD1 4.04Å
147	E	95.2	Very high	95.1	Very high	110 Å²	110	43.9 Å²	43.9	51%	0.514	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-62.9	-24.9	-176.2	-70.5	-171.2	-165.7	0	0	113.9	F145 V149 L150 P170	F145-E147 PolarHBondContact O-N 3.32Å; E147-V149 PolarHBondContact O-N 2.81Å; E147-L150 HydrophobicContact CB-CD1 4.43Å; E147-L150 HydrophobicContact CG-CD1 4.48Å; E147-L150 WeakPolarHBondContact O-CB 3.33Å; E147-L150 WeakPolarHBondContact O-CG 3.44Å; E147-L150 PolarHBondContact O-N 3Å; E147-P170 HydrophobicContact CG-CG 4.33Å
148	S	95.7	Very high	95.2	Very high	13 Å²	13	43.6 Å²	43.6	9%	0.091	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-58.4	-29.5	174.5	61.3	0	0	0	0	112	V122 F124 P146 L150 R151	V122-S148 PolarHBondContact O-OG 3.15Å; F124-S148 WeakPolarHBondContact CD2-OG 3.48Å; F124-S148 PolarHBondContact N-OG 3.05Å; P146-S148 PolarHBondContact O-N 3.42Å; S148-L150 PolarHBondContact O-N 3.16Å; S148-R151 WeakPolarHBondContact O-CB 3.33Å; S148-R151 PolarHBondContact O-N 3.38Å
149	V	96.8	Very high	95.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-61.1	-28.3	174.3	176.1	0	0	0	0	111.6	F124 L134 P146 E147 R151 L152 L155 L158 L177	F124-V149 HydrophobicContact CB-CG2 3.96Å; F124-V149 HydrophobicContact CD2-CG2 3.49Å; F124-V149 VanDerWaalsContact CD2-CG2 3.49Å; F124-V149 HydrophobicContact CE2-CG2 4.17Å; F124-V149 HydrophobicContact CG-CG2 3.8Å; L134-V149 HydrophobicContact CD2-CG2 4.04Å; P146-V149 HydrophobicContact CB-CG2 3.93Å; P146-V149 HydrophobicContact CG-CG2 3.73Å; P146-V149 VanDerWaalsContact O-CB 3.26Å; P146-V149 WeakPolarHBondContact O-CB 2.92Å; P146-V149 WeakPolarHBondContact O-CG2 3.33Å; P146-V149 PolarHBondContact O-N 3.22Å; P146-V149 VanDerWaalsContact O-N 3.08Å; E147-V149 PolarHBondContact O-N 2.81Å; V149-R151 PolarHBondContact O-N 3.1Å; V149-R151 VanDerWaalsContact O-N 3.11Å; V149-L152 HydrophobicContact CG1-CD1 4.34Å; V149-L152 VanDerWaalsContact O-CB 3.28Å; V149-L152 WeakPolarHBondContact O-CB 3.17Å; V149-L152 PolarHBondContact O-N 3.19Å; V149-L155 HydrophobicContact CG1-CD2 3.45Å; V149-L155 VanDerWaalsContact CG1-CD2 3.45Å; V149-L158 HydrophobicContact CG1-CD1 4.18Å; V149-L158 HydrophobicContact CG1-CD2 3.88Å; V149-L177 WeakPolarHBondContact O-CD2 3.33Å
150	L	96.3	Very high	95.3	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.016	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-68.5	-9.1	178.1	-53.2	176.6	0	0	0	112.7	F145 E147 S148 P170 I173 R176 L177	F145-L150 HydrophobicContact CE1-CD2 3.93Å; F145-L150 HydrophobicContact CE1-CG 4.2Å; F145-L150 HydrophobicContact CZ-CD2 4.41Å; E147-L150 HydrophobicContact CB-CD1 4.43Å; E147-L150 HydrophobicContact CG-CD1 4.48Å; E147-L150 WeakPolarHBondContact O-CB 3.33Å; E147-L150 WeakPolarHBondContact O-CG 3.44Å; E147-L150 PolarHBondContact O-N 3Å; S148-L150 PolarHBondContact O-N 3.16Å; L150-P170 HydrophobicContact CD1-CB 3.71Å; L150-P170 HydrophobicContact CD1-CG 4.03Å; L150-I173 HydrophobicContact CD2-CB 4.1Å; L150-I173 HydrophobicContact CD2-CD1 4.42Å; L150-I173 HydrophobicContact CD2-CG1 3.77Å; L150-R176 HydrophobicContact CB-CB 4.04Å; L150-R176 WeakPolarHBondContact O-CB 3.47Å; L150-L177 HydrophobicContact CD2-CD1 3.9Å; L150-L177 HydrophobicContact CD2-CG 4.1Å
151	R	96.4	Very high	95.2	Very high	133 Å²	133	43.3 Å²	43.3	50%	0.502	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-83.5	-12	171	-63.7	-172.7	-84.3	-176.6	2.7	112.9	D123 S125 S148 V149 R153	D123-R151 IonicContact OD1-CZ 3.9Å; D123-R151 IonicContact OD1-NH2 2.7Å; D123-R151 PolarHBondContact OD1-NH2 3.11Å; D123-R151 IonicContact OD2-CZ 2.8Å; D123-R151 IonicContact OD2-NH2 3.75Å; D123-R151 PolarHBondContact OD2-NH2 2.82Å; S125-R151 VanDerWaalsContact CB-CZ 3.41Å; S125-R151 PolarHBondContact OG-NE 3.13Å; S125-R151 PolarHBondContact OG-NH1 3.38Å; S125-R151 PolarHBondContact OG-NH2 2.92Å; S125-R151 VanDerWaalsContact OG-NH2 3.11Å; S148-R151 WeakPolarHBondContact O-CB 3.33Å; S148-R151 PolarHBondContact O-N 3.38Å; V149-R151 PolarHBondContact O-N 3.1Å; V149-R151 VanDerWaalsContact O-N 3.11Å; R151-R153 PolarHBondContact O-N 3.24Å
152	L	96.2	Very high	95.1	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.016	21%	0.208	C	C	.	.			trans	-83.6	76.6	-179.3	-59.3	177.6	0	0	0	111.7	F124 L127 A128 L131 V149 H154 L155 L177	F124-L152 HydrophobicContact CB-CD1 4.25Å; F124-L152 WeakPolarHBondContact O-CD2 3.44Å; L127-L152 HydrophobicContact CB-CD2 4.49Å; A128-L152 HydrophobicContact CB-CD2 3.89Å; L131-L152 HydrophobicContact CB-CD1 4.18Å; L131-L152 HydrophobicContact CB-CD2 4.26Å; L131-L152 HydrophobicContact CD2-CD1 3.5Å; L131-L152 VanDerWaalsContact CD2-CD1 3.5Å; L131-L152 HydrophobicContact CG-CD1 4.35Å; V149-L152 HydrophobicContact CG1-CD1 4.34Å; V149-L152 VanDerWaalsContact O-CB 3.28Å; V149-L152 WeakPolarHBondContact O-CB 3.17Å; V149-L152 PolarHBondContact O-N 3.19Å; L152-H154 PolarHBondContact O-N 3.48Å; L152-L155 HydrophobicContact CB-CB 3.87Å; L152-L155 HydrophobicContact CD1-CD1 4.05Å; L152-L155 WeakPolarHBondContact O-CB 3.48Å; L152-L155 PolarHBondContact O-N 3.3Å; L152-L177 WeakPolarHBondContact O-CD2 3.29Å
153	R	94.4	Very high	95.1	Very high	183 Å²	183	43 Å²	43	69%	0.691	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.4	-174.8	-64	-168.4	176.4	-154.9	0.2	115.3	R151 S179	R151-R153 PolarHBondContact O-N 3.24Å; R153-S179 WeakPolarHBondContact O-CB 3.35Å; R153-S179 PolarHBondContact O-OG 3.02Å
154	H	92.6	Very high	95.1	Very high	97 Å²	97	49.7 Å²	49.7	45%	0.449	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	5.3	177	-62.2	-66.5	0	0	0	113.7	L152 R156	L152-H154 PolarHBondContact O-N 3.48Å; H154-R156 VanDerWaalsContact O-CG 3.27Å; H154-R156 WeakPolarHBondContact O-CG 3.22Å; H154-R156 PolarHBondContact O-N 3.48Å
155	L	93.7	Very high	95.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	18%	0.184	C	C	.	.			trans	-61.4	131.1	176.7	-163.8	74.2	0	0	0	110	L131 K132 L134 V149 L152 L158 L177 S179 L180	L131-L155 HydrophobicContact CD2-CD1 4.34Å; L131-L155 HydrophobicContact CG-CD1 4.38Å; K132-L155 WeakPolarHBondContact O-CD1 3.48Å; L134-L155 HydrophobicContact CB-CD1 4.09Å; V149-L155 HydrophobicContact CG1-CD2 3.45Å; V149-L155 VanDerWaalsContact CG1-CD2 3.45Å; L152-L155 HydrophobicContact CB-CB 3.87Å; L152-L155 HydrophobicContact CD1-CD1 4.05Å; L152-L155 WeakPolarHBondContact O-CB 3.48Å; L152-L155 PolarHBondContact O-N 3.3Å; L155-L158 HydrophobicContact CD2-CB 3.96Å; L155-L158 HydrophobicContact CD2-CD1 4.37Å; L155-L158 HydrophobicContact CD2-CD2 4.37Å; L155-L158 HydrophobicContact CD2-CG 4.47Å; L155-L177 HydrophobicContact CB-CD2 4.28Å; L155-L177 HydrophobicContact CD2-CD1 4.43Å; L155-L177 HydrophobicContact CD2-CD2 4.48Å; L155-S179 CarbonylContact O-C 3.55Å; L155-L180 HydrophobicContact CB-CD1 4.41Å; L155-L180 HydrophobicContact CD2-CD1 4.11Å; L155-L180 HydrophobicContact CG-CD1 4.15Å; L155-L180 WeakPolarHBondContact O-CA 3.05Å; L155-L180 PolarHBondContact O-N 3.2Å
156	R	87.3	Confident	95.2	Very high	56 Å²	56	44.1 Å²	44.1	21%	0.211	20%	0.198	C	C	.	.			trans	-112.1	-40.4	-172.2	-68.1	-141.8	-160.1	-173.7	5	111.8	K132 L133 H154 L181 T182 E563 E564	K132-R156 HydrophobicContact CB-CB 4.38Å; K132-R156 HydrophobicContact CB-CG 4.14Å; K132-R156 PolarHBondContact O-N 2.84Å; L133-R156 HydrophobicContact CD2-CB 3.73Å; H154-R156 VanDerWaalsContact O-CG 3.27Å; H154-R156 WeakPolarHBondContact O-CG 3.22Å; H154-R156 PolarHBondContact O-N 3.48Å; R156-L181 HydrophobicContact CB-CD1 3.94Å; R156-L181 HydrophobicContact CG-CD1 4.2Å; R156-L181 WeakPolarHBondContact O-CA 3.47Å; R156-L181 WeakPolarHBondContact O-CB 3.34Å; R156-L181 PolarHBondContact O-N 3.29Å; R156-T182 PolarHBondContact O-N 3.28Å; R156-T182 VanDerWaalsContact O-N 3.13Å; R156-E563 VanDerWaalsContact NH1-C 3.25Å; R156-E563 PolarHBondContact NH1-O 3.39Å; R156-E564 WeakPolarHBondContact CD-OE1 3.45Å; R156-E564 WeakPolarHBondContact CG-OE1 3.27Å; R156-E564 IonicContact CZ-OE1 3.25Å; R156-E564 IonicContact NE-OE1 2.76Å; R156-E564 PolarHBondContact NE-OE1 2.82Å; R156-E564 VanDerWaalsContact NE-OE1 3.07Å
157	R	89.6	Confident	95.3	Very high	24 Å²	24	46.4 Å²	46.4	9%	0.091	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	129	176.8	-57.6	-173.6	-177.5	164.7	5.1	109.8	K132 L133 L134 Y135 T182	K132-R157 PolarHBondContact O-N 3.13Å; K132-R157 VanDerWaalsContact O-N 3.14Å; L133-R157 HydrophobicContact CB-CB 4.35Å; L133-R157 HydrophobicContact CD2-CB 3.69Å; L133-R157 HydrophobicContact CD2-CG 3.58Å; L134-R157 PolarHBondContact N-O 3.29Å; Y135-R157 HydrophobicContact CE1-CB 4.35Å; Y135-R157 WeakPolarHBondContact OH-CD 3.3Å; Y135-R157 PolarHBondContact OH-NH1 3.04Å; R157-T182 WeakPolarHBondContact CA-O 3.49Å
158	L	95.1	Very high	95.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	114.2	174.3	-179.8	60.2	0	0	0	108.4	L134 F145 V149 L155 L160 L180 T182 L183 H184	L134-L158 HydrophobicContact CB-CD1 4.15Å; L134-L158 HydrophobicContact CD2-CD1 3.84Å; L134-L158 HydrophobicContact CG-CD1 4.05Å; L134-L158 WeakPolarHBondContact O-CA 3.4Å; F145-L158 HydrophobicContact CE2-CD2 4.03Å; F145-L158 HydrophobicContact CZ-CD2 3.63Å; V149-L158 HydrophobicContact CG1-CD1 4.18Å; V149-L158 HydrophobicContact CG1-CD2 3.88Å; L155-L158 HydrophobicContact CD2-CB 3.96Å; L155-L158 HydrophobicContact CD2-CD1 4.37Å; L155-L158 HydrophobicContact CD2-CD2 4.37Å; L155-L158 HydrophobicContact CD2-CG 4.47Å; L158-L160 HydrophobicContact CD1-CD1 4.21Å; L158-L160 HydrophobicContact CD1-CD2 3.93Å; L158-L160 HydrophobicContact CD1-CG 3.89Å; L158-L160 HydrophobicContact CD2-CD1 4.35Å; L158-L160 HydrophobicContact CG-CD1 4.33Å; L158-L160 HydrophobicContact CG-CG 4.11Å; L158-L180 HydrophobicContact CB-CD1 4.22Å; L158-T182 PolarHBondContact N-O 2.64Å; L158-L183 HydrophobicContact CB-CD1 4.16Å; L158-L183 HydrophobicContact CD2-CD1 3.91Å; L158-L183 HydrophobicContact CG-CD1 4.21Å; L158-H184 PolarHBondContact O-N 2.96Å
159	D	93.9	Very high	95.5	Very high	18 Å²	18	44.1 Å²	44.1	10%	0.096	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	108.4	174.3	-158.7	-27.6	0	0	0	110.5	L134 Y135 L136 S137 S161 H184	L134-D159 PolarHBondContact O-N 3.2Å; Y135-D159 HydrophobicContact CD1-CB 3.55Å; Y135-D159 HydrophobicContact CE1-CB 4.24Å; Y135-D159 HydrophobicContact CG-CB 4.46Å; L136-D159 PolarHBondContact N-O 2.92Å; S137-D159 WeakPolarHBondContact CB-OD1 3.47Å; S137-D159 PolarHBondContact N-O 3.22Å; D159-S161 VanDerWaalsContact OD1-CB 3.24Å; D159-S161 WeakPolarHBondContact OD1-CB 3.23Å; D159-S161 PolarHBondContact OD1-N 3.49Å; D159-S161 PolarHBondContact OD1-OG 2.81Å; D159-H184 HydrophobicContact CB-CB 4.18Å; D159-H184 VanDerWaalsContact CG-CB 3.45Å; D159-H184 VanDerWaalsContact OD1-CB 3.29Å; D159-H184 WeakPolarHBondContact OD1-CB 3.44Å; D159-H184 IonicContact OD2-CG 2.77Å; D159-H184 IonicContact OD2-ND1 2.73Å; D159-H184 PolarHBondContact OD2-ND1 3.38Å
160	L	97.1	Very high	95.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.209	C	C	.	.			trans	-115.8	17.1	174.1	-52.6	176.7	0	0	0	110.8	L119 L136 F145 P146 L158 N163 L165 H184 L185 N188	L119-L160 HydrophobicContact CD1-CD2 4.32Å; L136-L160 HydrophobicContact CB-CD2 3.87Å; L136-L160 HydrophobicContact CD1-CD2 3.96Å; L136-L160 HydrophobicContact CG-CD2 4.25Å; F145-L160 HydrophobicContact CD2-CD1 4.23Å; F145-L160 HydrophobicContact CE2-CD1 4.01Å; P146-L160 HydrophobicContact CG-CD1 4.04Å; L158-L160 HydrophobicContact CD1-CD1 4.21Å; L158-L160 HydrophobicContact CD1-CD2 3.93Å; L158-L160 HydrophobicContact CD1-CG 3.89Å; L158-L160 HydrophobicContact CD2-CD1 4.35Å; L158-L160 HydrophobicContact CG-CD1 4.33Å; L158-L160 HydrophobicContact CG-CG 4.11Å; L160-N163 PolarHBondContact O-ND2 3.24Å; L160-L165 HydrophobicContact CB-CD1 3.78Å; L160-L165 HydrophobicContact CD1-CD1 3.88Å; L160-L165 HydrophobicContact CG-CD1 4.44Å; L160-H184 PolarHBondContact N-O 3.13Å; L160-L185 HydrophobicContact CB-CD2 3.98Å; L160-L185 HydrophobicContact CD1-CD2 4.11Å; L160-L185 HydrophobicContact CG-CD2 4.33Å; L160-N188 PolarHBondContact O-ND2 3.09Å
161	S	95.8	Very high	95.4	Very high	28 Å²	28	48.1 Å²	48.1	20%	0.196	23%	0.233	C	C	.	.			trans	-67.5	152.8	-175.3	64	0	0	0	0	113	S137 G138 D159 N163 H184 A186	S137-S161 CarbonylContact C-O 3.58Å; S137-S161 WeakPolarHBondContact CA-O 3.36Å; S137-S161 WeakPolarHBondContact CB-O 3.26Å; G138-S161 PolarHBondContact N-O 3.18Å; D159-S161 VanDerWaalsContact OD1-CB 3.24Å; D159-S161 WeakPolarHBondContact OD1-CB 3.23Å; D159-S161 PolarHBondContact OD1-N 3.49Å; D159-S161 PolarHBondContact OD1-OG 2.81Å; S161-N163 PolarHBondContact O-ND2 2.72Å; S161-H184 PolarHBondContact N-O 3.49Å; S161-A186 CarbonylContact C-O 3.59Å; S161-A186 WeakPolarHBondContact CA-O 3.43Å; S161-A186 WeakPolarHBondContact CB-O 3.4Å
162	G	95.9	Very high	95.3	Very high	27 Å²	27	45.7 Å²	45.7	28%	0.278	23%	0.228	S	C	.	.	S	Bend	trans	64.4	46.8	179.6	0	0	0	0	0	112.5	G138 N139 A186 R187	G138-G162 VanDerWaalsContact CA-O 3.26Å; G138-G162 WeakPolarHBondContact CA-O 3.4Å; G138-G162 PolarHBondContact N-O 3.37Å; N139-G162 PolarHBondContact N-O 2.75Å; N139-G162 VanDerWaalsContact O-O 3.05Å; G162-A186 PolarHBondContact N-O 2.77Å; G162-R187 WeakPolarHBondContact CA-O 3.07Å; G162-R187 PolarHBondContact N-O 3.24Å
163	N	97.9	Very high	95.3	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.064	23%	0.227	C	C	.	.	S	Bend	trans	-126.3	-169.1	173.5	-80.8	-70.1	0	0	0	108.9	L136 N139 F141 L160 S161 L165 R187 N188	L136-N163 PolarHBondContact O-ND2 2.89Å; N139-N163 WeakPolarHBondContact CA-OD1 3.37Å; N139-N163 WeakPolarHBondContact CB-OD1 3.39Å; N139-N163 PolarHBondContact N-OD1 2.98Å; N139-N163 PolarHBondContact O-OD1 3.5Å; N139-N163 VanDerWaalsContact O-OD1 3.11Å; F141-N163 HydrophobicContact CB-CB 4.37Å; F141-N163 WeakPolarHBondContact CB-OD1 3.48Å; F141-N163 WeakPolarHBondContact CD2-OD1 3.45Å; F141-N163 PolarHBondContact N-OD1 2.65Å; F141-N163 VanDerWaalsContact N-OD1 3.1Å; L160-N163 PolarHBondContact O-ND2 3.24Å; S161-N163 PolarHBondContact O-ND2 2.72Å; N163-L165 HydrophobicContact CB-CG 4.24Å; N163-R187 PolarHBondContact N-O 3.06Å; N163-N188 WeakPolarHBondContact CA-OD1 3.45Å; N163-N188 WeakPolarHBondContact CB-OD1 3.12Å; N163-N188 PolarHBondContact N-OD1 3.38Å; N163-N188 PolarHBondContact O-OD1 3.45Å; N163-N188 VanDerWaalsContact O-OD1 3.14Å
164	R	97.9	Very high	95.1	Very high	165 Å²	165	37.2 Å²	37.2	62%	0.623	20%	0.197	S	C	*	.			trans	-114.3	32.7	178.1	-56.1	177.8	-175.2	175.6	1.5	111.4	F141 S142 N188	F141-R164 CarbonylContact O-C 3.43Å; F141-R164 VanDerWaalsContact O-CA 3.29Å; F141-R164 WeakPolarHBondContact O-CA 3.44Å; F141-R164 WeakPolarHBondContact O-CB 3.21Å; F141-R164 PolarHBondContact O-N 3.41Å; S142-R164 WeakPolarHBondContact CA-O 3.45Å; R164-N188 PolarHBondContact N-OD1 3.22Å
165	L	98.3	Very high	95.1	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.			trans	-65.6	142.2	-179.6	-61.4	178.5	0	0	0	110.8	L160 N163 N188 S189 L190	L160-L165 HydrophobicContact CB-CD1 3.78Å; L160-L165 HydrophobicContact CD1-CD1 3.88Å; L160-L165 HydrophobicContact CG-CD1 4.44Å; N163-L165 HydrophobicContact CB-CG 4.24Å; L165-N188 HydrophobicContact CB-CB 4.27Å; L165-N188 WeakPolarHBondContact CB-OD1 3.5Å; L165-N188 WeakPolarHBondContact CG-OD1 3.47Å; L165-N188 PolarHBondContact N-OD1 2.72Å; L165-S189 CarbonylContact O-C 3.55Å; L165-S189 WeakPolarHBondContact O-CA 3.35Å; L165-S189 WeakPolarHBondContact O-CB 3.33Å; L165-S189 PolarHBondContact O-N 3.14Å; L165-L190 HydrophobicContact CB-CD2 4.06Å; L165-L190 HydrophobicContact CB-CG 4.5Å; L165-L190 PolarHBondContact O-N 3.26Å
166	T	97.9	Very high	95.2	Very high	54 Å²	54	42.8 Å²	42.8	33%	0.331	22%	0.22	S	C	.	.			trans	-126.5	-177.7	-174.4	60.3	0	0	0	0	110.6	G143	G143-T166 PolarHBondContact O-N 2.69Å; G143-T166 PolarHBondContact O-OG1 3.12Å
167	C	96.8	Very high	95.5	Very high	48 Å²	48	40.1 Å²	40.1	32%	0.324	21%	0.21	S	C	.	.	S	Bend	trans	61.5	-165.2	-176.5	-59.9	0	0	0	0	112.4	R144 L190 V191	R144-C167 HydrophobicContact CG-CB 4Å; C167-L190 WeakPolarHBondContact O-CA 3.39Å; C167-V191 WeakPolarHBondContact O-CG2 3.34Å; C167-V191 PolarHBondContact O-N 3.44Å
168	T	97.5	Very high	95.6	Very high	73 Å²	73	42.5 Å²	42.5	45%	0.448	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-89.6	151.4	-172.2	55.1	0	0	0	0	112.4	V191	T168-V191 WeakPolarHBondContact CA-O 3.42Å; T168-V191 HydrophobicContact CG2-CG2 4.44Å
169	I	97.7	Very high	95.3	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.015	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-65.6	127.5	163.9	-57.3	171.4	0	0	0	107.6	I173 L185 L190 L194 P195 V209 L214	I169-I173 HydrophobicContact CG2-CD1 4.21Å; I169-I173 HydrophobicContact CG2-CG2 4.15Å; I169-L185 HydrophobicContact CD1-CD1 3.8Å; I169-L185 HydrophobicContact CG1-CD1 3.98Å; I169-L185 HydrophobicContact CG2-CD1 4.32Å; I169-L190 HydrophobicContact CD1-CD1 4.41Å; I169-L190 HydrophobicContact CG1-CD1 4.05Å; I169-L194 HydrophobicContact CD1-CD2 4.2Å; I169-P195 HydrophobicContact CB-CG 4.01Å; I169-P195 HydrophobicContact CG2-CG 3.91Å; I169-V209 HydrophobicContact CD1-CG1 4.33Å; I169-L214 HydrophobicContact CD1-CD1 4.28Å; I169-L214 HydrophobicContact CD1-CD2 4.09Å; I169-L214 HydrophobicContact CG1-CD2 4.48Å
170	P	96.7	Very high	95	Very high	6 Å²	6	42.5 Å²	42.5	4%	0.039	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-56.1	128.6	-177	-28.8	36.3	0	0	0	112.3	F145 E147 L150 E172 I173	F145-P170 HydrophobicContact CB-CG 4.03Å; F145-P170 HydrophobicContact CD1-CG 3.52Å; F145-P170 HydrophobicContact CE1-CG 4.18Å; F145-P170 HydrophobicContact CG-CG 3.86Å; E147-P170 HydrophobicContact CG-CG 4.33Å; L150-P170 HydrophobicContact CD1-CB 3.71Å; L150-P170 HydrophobicContact CD1-CG 4.03Å; P170-E172 PolarHBondContact O-N 2.62Å; P170-I173 WeakPolarHBondContact O-CB 3.33Å; P170-I173 WeakPolarHBondContact O-CG2 3.38Å; P170-I173 PolarHBondContact O-N 3.2Å; P170-I173 VanDerWaalsContact O-N 3.14Å
171	P	95.6	Very high	94.4	Very high	80 Å²	80	42.7 Å²	42.7	52%	0.519	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-18.1	-172.2	19.1	-24.2	0	0	0	114	S197	P171-S197 VanDerWaalsContact O-CB 3.26Å; P171-S197 WeakPolarHBondContact O-CB 3.26Å; P171-S197 PolarHBondContact O-OG 2.77Å
172	E	93.7	Very high	93.8	Very high	83 Å²	83	42 Å²	42	39%	0.388	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	2.4	177.8	-44.3	74.1	-156.5	0	0	113.6	P170 G174 H175 R176	P170-E172 PolarHBondContact O-N 2.62Å; E172-G174 PolarHBondContact O-N 3.44Å; E172-H175 PolarHBondContact O-N 2.94Å; E172-R176 HydrophobicContact CB-CG 4.21Å; E172-R176 PolarHBondContact O-N 3.44Å; E172-R176 IonicContact OE2-CZ 2.89Å; E172-R176 IonicContact OE2-NH2 2.9Å; E172-R176 PolarHBondContact OE2-NH2 3.3Å
173	I	95.3	Very high	93.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-51.3	-38.5	-174.1	-172.2	167.6	0	0	0	112.6	F145 L150 I169 P170 L177 L183 P195 L198	F145-I173 HydrophobicContact CE2-CD1 4.03Å; F145-I173 HydrophobicContact CZ-CD1 3.75Å; L150-I173 HydrophobicContact CD2-CB 4.1Å; L150-I173 HydrophobicContact CD2-CD1 4.42Å; L150-I173 HydrophobicContact CD2-CG1 3.77Å; I169-I173 HydrophobicContact CG2-CD1 4.21Å; I169-I173 HydrophobicContact CG2-CG2 4.15Å; P170-I173 WeakPolarHBondContact O-CB 3.33Å; P170-I173 WeakPolarHBondContact O-CG2 3.38Å; P170-I173 PolarHBondContact O-N 3.2Å; P170-I173 VanDerWaalsContact O-N 3.14Å; I173-L177 HydrophobicContact CG1-CD1 3.93Å; I173-L177 PolarHBondContact O-N 3.48Å; I173-L183 HydrophobicContact CD1-CD1 4.3Å; I173-L183 HydrophobicContact CD1-CD2 3.82Å; I173-P195 HydrophobicContact CG2-CG 4.49Å; I173-L198 HydrophobicContact CG2-CD2 3.57Å; I173-L198 HydrophobicContact CG2-CG 4.13Å
174	G	91.3	Very high	93.5	Very high	7 Å²	7	42.3 Å²	42.3	7%	0.072	22%	0.219	C	C	.	.	H	α-helix	trans	-74.2	-26.5	-178.5	0	0	0	0	0	114.7	E172 S197 M201	E172-G174 PolarHBondContact O-N 3.44Å; G174-S197 WeakPolarHBondContact CA-O 3.21Å; G174-S197 PolarHBondContact N-OG 3.4Å; G174-M201 WeakPolarHBondContact O-CG 3.03Å
175	H	92.4	Very high	93.5	Very high	134 Å²	134	34.5 Å²	34.5	62%	0.62	19%	0.19	S	C	*	.	H	α-helix	trans	-86.5	-30.2	176.8	-62.1	-64.6	0	0	0	112	E172	E172-H175 PolarHBondContact O-N 2.94Å
176	R	95	Very high	93.4	Very high	81 Å²	81	34.8 Å²	34.8	31%	0.306	19%	0.192	S	C	.	.	H	α-helix	trans	-85.9	-21.9	-176.4	-72	-157.9	-86	-179.8	-11.8	114.4	L150 E172 P178	L150-R176 HydrophobicContact CB-CB 4.04Å; L150-R176 WeakPolarHBondContact O-CB 3.47Å; E172-R176 HydrophobicContact CB-CG 4.21Å; E172-R176 PolarHBondContact O-N 3.44Å; E172-R176 IonicContact OE2-CZ 2.89Å; E172-R176 IonicContact OE2-NH2 2.9Å; E172-R176 PolarHBondContact OE2-NH2 3.3Å; R176-P178 WeakPolarHBondContact O-CD 3.43Å
177	L	94.3	Very high	93.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.211	C	C	.	.			trans	-115.7	68	179.7	-60.2	179.8	0	0	0	112.2	V149 L150 L152 L155 I173 S179 L180	V149-L177 WeakPolarHBondContact O-CD2 3.33Å; L150-L177 HydrophobicContact CD2-CD1 3.9Å; L150-L177 HydrophobicContact CD2-CG 4.1Å; L152-L177 WeakPolarHBondContact O-CD2 3.29Å; L155-L177 HydrophobicContact CB-CD2 4.28Å; L155-L177 HydrophobicContact CD2-CD1 4.43Å; L155-L177 HydrophobicContact CD2-CD2 4.48Å; I173-L177 HydrophobicContact CG1-CD1 3.93Å; I173-L177 PolarHBondContact O-N 3.48Å; L177-S179 PolarHBondContact O-N 2.88Å; L177-L180 HydrophobicContact CB-CB 4Å; L177-L180 HydrophobicContact CB-CD2 4.34Å; L177-L180 HydrophobicContact CD1-CD1 4.32Å; L177-L180 HydrophobicContact CD1-CD2 3.96Å; L177-L180 WeakPolarHBondContact O-CB 3.24Å; L177-L180 PolarHBondContact O-N 2.73Å
178	P	90.7	Very high	93.4	Very high	73 Å²	73	39.6 Å²	39.6	47%	0.474	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-19.9	-173.6	29.1	-37.1	0	0	0	114	R176	R176-P178 WeakPolarHBondContact O-CD 3.43Å
179	S	89.3	Confident	93.5	Very high	18 Å²	18	38.4 Å²	38.4	13%	0.126	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	2.2	-179.2	-54.4	0	0	0	0	113.5	R153 L155 L177	R153-S179 WeakPolarHBondContact O-CB 3.35Å; R153-S179 PolarHBondContact O-OG 3.02Å; L155-S179 CarbonylContact O-C 3.55Å; L177-S179 PolarHBondContact O-N 2.88Å
180	L	88.7	Confident	93.5	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.192	C	C	.	.			trans	-73.6	130	-172.3	-156.4	71.8	0	0	0	111.5	L155 L158 L177 L183 M201 R203 L204	L155-L180 HydrophobicContact CB-CD1 4.41Å; L155-L180 HydrophobicContact CD2-CD1 4.11Å; L155-L180 HydrophobicContact CG-CD1 4.15Å; L155-L180 WeakPolarHBondContact O-CA 3.05Å; L155-L180 PolarHBondContact O-N 3.2Å; L158-L180 HydrophobicContact CB-CD1 4.22Å; L177-L180 HydrophobicContact CB-CB 4Å; L177-L180 HydrophobicContact CB-CD2 4.34Å; L177-L180 HydrophobicContact CD1-CD1 4.32Å; L177-L180 HydrophobicContact CD1-CD2 3.96Å; L177-L180 WeakPolarHBondContact O-CB 3.24Å; L177-L180 PolarHBondContact O-N 2.73Å; L180-L183 HydrophobicContact CD2-CB 3.92Å; L180-L183 HydrophobicContact CD2-CD1 4.29Å; L180-L183 HydrophobicContact CD2-CD2 4.42Å; L180-L183 HydrophobicContact CD2-CG 4.44Å; L180-M201 HydrophobicContact CB-SD 4.03Å; L180-M201 HydrophobicContact CD2-SD 4.16Å; L180-R203 CarbonylContact O-C 3.19Å; L180-L204 HydrophobicContact CD2-CD1 4.27Å; L180-L204 HydrophobicContact CG-CD1 4.31Å; L180-L204 WeakPolarHBondContact O-CA 3.05Å; L180-L204 PolarHBondContact O-N 2.87Å
181	L	82.8	Confident	93.6	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	21%	0.206	C	C	.	.			trans	-113.4	-34.3	-176.1	-60.7	159.1	0	0	0	110.9	R156 R203 A205 K206 E563	R156-L181 HydrophobicContact CB-CD1 3.94Å; R156-L181 HydrophobicContact CG-CD1 4.2Å; R156-L181 WeakPolarHBondContact O-CA 3.47Å; R156-L181 WeakPolarHBondContact O-CB 3.34Å; R156-L181 PolarHBondContact O-N 3.29Å; L181-R203 HydrophobicContact CD2-CB 3.79Å; L181-R203 VanDerWaalsContact CD2-O 3.3Å; L181-R203 WeakPolarHBondContact CD2-O 3.34Å; L181-A205 PolarHBondContact O-N 3.11Å; L181-K206 PolarHBondContact O-N 2.98Å; L181-E563 HydrophobicContact CD1-CB 3.86Å; L181-E563 VanDerWaalsContact CD1-CD 3.45Å; L181-E563 HydrophobicContact CD1-CG 4.01Å; L181-E563 WeakPolarHBondContact CD1-OE2 3.33Å; L181-E563 VanDerWaalsContact CD2-CD 3.44Å; L181-E563 WeakPolarHBondContact CD2-OE1 3.36Å; L181-E563 WeakPolarHBondContact CD2-OE2 3.28Å; L181-E563 WeakPolarHBondContact CG-OE2 3.36Å
182	T	84.7	Confident	93.7	Very high	13 Å²	13	37.1 Å²	37.1	8%	0.08	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	127	179.3	-57	0	0	0	0	110.4	R156 R157 L158 H184 K206	R156-T182 PolarHBondContact O-N 3.28Å; R156-T182 VanDerWaalsContact O-N 3.13Å; R157-T182 WeakPolarHBondContact CA-O 3.49Å; L158-T182 PolarHBondContact N-O 2.64Å; T182-H184 WeakPolarHBondContact CG2-NE2 3.45Å; T182-K206 WeakPolarHBondContact CA-O 3.33Å; T182-K206 HydrophobicContact CG2-CB 3.86Å; T182-K206 HydrophobicContact CG2-CD 4.45Å
183	L	94	Very high	93.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	110.6	172.4	-179.7	60.2	0	0	0	109.8	L158 I173 L180 L185 L198 L204 K206 L207 N208	L158-L183 HydrophobicContact CB-CD1 4.16Å; L158-L183 HydrophobicContact CD2-CD1 3.91Å; L158-L183 HydrophobicContact CG-CD1 4.21Å; I173-L183 HydrophobicContact CD1-CD1 4.3Å; I173-L183 HydrophobicContact CD1-CD2 3.82Å; L180-L183 HydrophobicContact CD2-CB 3.92Å; L180-L183 HydrophobicContact CD2-CD1 4.29Å; L180-L183 HydrophobicContact CD2-CD2 4.42Å; L180-L183 HydrophobicContact CD2-CG 4.44Å; L183-L185 HydrophobicContact CD1-CD1 4.11Å; L183-L185 HydrophobicContact CD1-CD2 4.09Å; L183-L185 HydrophobicContact CD1-CG 3.93Å; L183-L185 HydrophobicContact CD2-CD1 4.22Å; L183-L185 HydrophobicContact CG-CD1 4.16Å; L183-L185 HydrophobicContact CG-CG 4.13Å; L183-L198 HydrophobicContact CD2-CD2 3.61Å; L183-L204 HydrophobicContact CB-CD1 4.04Å; L183-K206 PolarHBondContact N-O 2.64Å; L183-L207 HydrophobicContact CB-CD1 4.15Å; L183-L207 HydrophobicContact CD2-CD1 4.03Å; L183-L207 HydrophobicContact CG-CD1 4.21Å; L183-L207 WeakPolarHBondContact O-CA 3.47Å; L183-N208 PolarHBondContact O-N 2.95Å
184	H	93.9	Very high	93.9	Very high	46 Å²	46	37.7 Å²	37.7	21%	0.213	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	117.4	177.1	-69.4	174.4	0	0	0	110.3	L158 D159 L160 S161 T182	L158-H184 PolarHBondContact O-N 2.96Å; D159-H184 HydrophobicContact CB-CB 4.18Å; D159-H184 VanDerWaalsContact CG-CB 3.45Å; D159-H184 VanDerWaalsContact OD1-CB 3.29Å; D159-H184 WeakPolarHBondContact OD1-CB 3.44Å; D159-H184 IonicContact OD2-CG 2.77Å; D159-H184 IonicContact OD2-ND1 2.73Å; D159-H184 PolarHBondContact OD2-ND1 3.38Å; L160-H184 PolarHBondContact N-O 3.13Å; S161-H184 PolarHBondContact N-O 3.49Å; T182-H184 WeakPolarHBondContact CG2-NE2 3.45Å
185	L	97.4	Very high	94.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.			trans	-129	10.8	179.4	-58.9	176.8	0	0	0	111.6	F145 L160 I169 L183 N188 L190 N208 V209 N212	F145-L185 HydrophobicContact CD2-CD2 4.36Å; F145-L185 HydrophobicContact CE2-CD1 4.48Å; F145-L185 HydrophobicContact CE2-CD2 4.05Å; L160-L185 HydrophobicContact CB-CD2 3.98Å; L160-L185 HydrophobicContact CD1-CD2 4.11Å; L160-L185 HydrophobicContact CG-CD2 4.33Å; I169-L185 HydrophobicContact CD1-CD1 3.8Å; I169-L185 HydrophobicContact CG1-CD1 3.98Å; I169-L185 HydrophobicContact CG2-CD1 4.32Å; L183-L185 HydrophobicContact CD1-CD1 4.11Å; L183-L185 HydrophobicContact CD1-CD2 4.09Å; L183-L185 HydrophobicContact CD1-CG 3.93Å; L183-L185 HydrophobicContact CD2-CD1 4.22Å; L183-L185 HydrophobicContact CG-CD1 4.16Å; L183-L185 HydrophobicContact CG-CG 4.13Å; L185-N188 PolarHBondContact O-ND2 3.36Å; L185-L190 HydrophobicContact CB-CD1 3.82Å; L185-L190 HydrophobicContact CD1-CD1 4.17Å; L185-L190 HydrophobicContact CG-CD1 4.45Å; L185-N208 PolarHBondContact N-O 3.11Å; L185-V209 HydrophobicContact CB-CG1 4.46Å; L185-N212 PolarHBondContact O-ND2 2.9Å
186	A	95.6	Very high	94.1	Very high	6 Å²	6	35.2 Å²	35.2	5%	0.05	20%	0.196	C	C	.	.			trans	-60.2	154	-176.4	0	0	0	0	0	112.6	S161 G162 N188 N208 S210	S161-A186 CarbonylContact C-O 3.59Å; S161-A186 WeakPolarHBondContact CA-O 3.43Å; S161-A186 WeakPolarHBondContact CB-O 3.4Å; G162-A186 PolarHBondContact N-O 2.77Å; A186-N188 PolarHBondContact O-ND2 3.36Å; A186-N208 HydrophobicContact CB-CB 4.43Å; A186-N208 WeakPolarHBondContact CB-OD1 3.4Å; A186-N208 PolarHBondContact N-O 3.26Å; A186-N208 VanDerWaalsContact N-O 3.17Å; A186-S210 CarbonylContact C-O 3.49Å; A186-S210 WeakPolarHBondContact CA-O 3.36Å; A186-S210 WeakPolarHBondContact CB-O 3.34Å
187	R	97.2	Very high	94	Very high	195 Å²	195	31.8 Å²	31.8	74%	0.736	19%	0.185	S	C	*	.	S	Bend	trans	54.5	59.8	177.8	-57.1	178.2	-177	168.8	-0.4	111.7	G162 N163 S210 G211	G162-R187 WeakPolarHBondContact CA-O 3.07Å; G162-R187 PolarHBondContact N-O 3.24Å; N163-R187 PolarHBondContact N-O 3.06Å; R187-S210 PolarHBondContact N-O 2.79Å; R187-G211 WeakPolarHBondContact CA-O 3.5Å; R187-G211 PolarHBondContact N-O 2.74Å
188	N	98.3	Very high	93.9	Very high	9 Å²	9	31.9 Å²	31.9	5%	0.048	19%	0.185	C	C	.	.	S	Bend	trans	-132.3	-169.1	171.5	-84	-78.1	0	0	0	108.4	L160 N163 R164 L165 L185 A186 L190 G211 N212	L160-N188 PolarHBondContact O-ND2 3.09Å; N163-N188 WeakPolarHBondContact CA-OD1 3.45Å; N163-N188 WeakPolarHBondContact CB-OD1 3.12Å; N163-N188 PolarHBondContact N-OD1 3.38Å; N163-N188 PolarHBondContact O-OD1 3.45Å; N163-N188 VanDerWaalsContact O-OD1 3.14Å; R164-N188 PolarHBondContact N-OD1 3.22Å; L165-N188 HydrophobicContact CB-CB 4.27Å; L165-N188 WeakPolarHBondContact CB-OD1 3.5Å; L165-N188 WeakPolarHBondContact CG-OD1 3.47Å; L165-N188 PolarHBondContact N-OD1 2.72Å; L185-N188 PolarHBondContact O-ND2 3.36Å; A186-N188 PolarHBondContact O-ND2 3.36Å; N188-L190 HydrophobicContact CB-CD1 4.27Å; N188-L190 HydrophobicContact CB-CG 4.08Å; N188-G211 PolarHBondContact N-O 3.36Å; N188-N212 VanDerWaalsContact CA-OD1 3.28Å; N188-N212 WeakPolarHBondContact CA-OD1 3.49Å; N188-N212 WeakPolarHBondContact CB-OD1 3.29Å; N188-N212 PolarHBondContact N-OD1 3.26Å; N188-N212 PolarHBondContact O-OD1 2.9Å
189	S	98.2	Very high	93.6	Very high	47 Å²	47	28.9 Å²	28.9	33%	0.329	17%	0.167	S	C	.	.			trans	-115.5	32.7	176.5	-54.2	0	0	0	0	111.6	L165 N212	L165-S189 CarbonylContact O-C 3.55Å; L165-S189 WeakPolarHBondContact O-CA 3.35Å; L165-S189 WeakPolarHBondContact O-CB 3.33Å; L165-S189 PolarHBondContact O-N 3.14Å; S189-N212 PolarHBondContact N-OD1 2.81Å
190	L	98.5	Very high	93.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.18	C	C	.	.			trans	-69.1	140.9	-179	-63.3	166.3	0	0	0	110.8	L165 C167 I169 L185 N188 N212 H213 L214	L165-L190 HydrophobicContact CB-CD2 4.06Å; L165-L190 HydrophobicContact CB-CG 4.5Å; L165-L190 PolarHBondContact O-N 3.26Å; C167-L190 WeakPolarHBondContact O-CA 3.39Å; I169-L190 HydrophobicContact CD1-CD1 4.41Å; I169-L190 HydrophobicContact CG1-CD1 4.05Å; L185-L190 HydrophobicContact CB-CD1 3.82Å; L185-L190 HydrophobicContact CD1-CD1 4.17Å; L185-L190 HydrophobicContact CG-CD1 4.45Å; N188-L190 HydrophobicContact CB-CD1 4.27Å; N188-L190 HydrophobicContact CB-CG 4.08Å; L190-N212 HydrophobicContact CB-CB 4.37Å; L190-N212 WeakPolarHBondContact CB-OD1 3.11Å; L190-N212 PolarHBondContact N-OD1 3.19Å; L190-N212 VanDerWaalsContact N-OD1 3.08Å; L190-H213 CarbonylContact O-C 3.55Å; L190-H213 VanDerWaalsContact O-CA 3.23Å; L190-H213 WeakPolarHBondContact O-CA 3.3Å; L190-H213 WeakPolarHBondContact O-CB 3.48Å; L190-H213 PolarHBondContact O-N 3.19Å; L190-L214 HydrophobicContact CB-CD2 4.17Å; L190-L214 PolarHBondContact O-N 2.93Å
191	V	98.2	Very high	93.1	Very high	56 Å²	56	31 Å²	31	34%	0.339	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	173.9	-177.1	-66	0	0	0	0	111.6	C167 T168 H213	C167-V191 WeakPolarHBondContact O-CG2 3.34Å; C167-V191 PolarHBondContact O-N 3.44Å; T168-V191 WeakPolarHBondContact CA-O 3.42Å; T168-V191 HydrophobicContact CG2-CG2 4.44Å; V191-H213 HydrophobicContact CG1-CB 3.84Å
192	G	97.4	Very high	93	Very high	7 Å²	7	35.4 Å²	35.4	7%	0.072	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82.1	-177.7	175.2	0	0	0	0	0	114.2	L214 Q215	G192-L214 WeakPolarHBondContact O-CA 3.39Å; G192-Q215 PolarHBondContact O-N 2.76Å
193	P	96.8	Very high	92.8	Very high	86 Å²	86	41.4 Å²	41.4	56%	0.558	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-76.1	153.3	-176	31.6	-34.9	0	0	0	112.5	P195 Q215	P193-P195 WeakPolarHBondContact O-CD 3.22Å; P193-Q215 WeakPolarHBondContact CA-O 3.49Å
194	L	97.3	Very high	92.3	Very high	8 Å²	8	42 Å²	42	4%	0.042	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-66.4	123.1	167.6	-81.6	168.4	0	0	0	110.3	I169 A196 L198 V209 L214 I218 P219 L222 F231 L237	I169-L194 HydrophobicContact CD1-CD2 4.2Å; L194-A196 PolarHBondContact O-N 3.04Å; L194-L198 HydrophobicContact CD2-CD1 4Å; L194-V209 HydrophobicContact CD1-CG2 4.43Å; L194-V209 HydrophobicContact CD2-CB 4.4Å; L194-V209 HydrophobicContact CD2-CG1 4.12Å; L194-V209 HydrophobicContact CD2-CG2 4.03Å; L194-L214 HydrophobicContact CD2-CD1 3.85Å; L194-L214 HydrophobicContact CG-CD1 4.2Å; L194-I218 HydrophobicContact CD1-CG1 4.42Å; L194-I218 HydrophobicContact CD1-CG2 4.44Å; L194-P219 HydrophobicContact CB-CG 4.24Å; L194-L222 HydrophobicContact CB-CD1 4.41Å; L194-F231 HydrophobicContact CD1-CD1 3.69Å; L194-F231 HydrophobicContact CD1-CE1 3.71Å; L194-L237 HydrophobicContact CD1-CD1 4.03Å; L194-L237 HydrophobicContact CD1-CD2 4.01Å; L194-L237 HydrophobicContact CG-CD1 4.35Å
195	P	95.6	Very high	91.7	Very high	12 Å²	12	42.4 Å²	42.4	8%	0.078	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-59.7	128	179.7	-26.1	34.7	0	0	0	112.2	I169 I173 P193 S197 L198	I169-P195 HydrophobicContact CB-CG 4.01Å; I169-P195 HydrophobicContact CG2-CG 3.91Å; I173-P195 HydrophobicContact CG2-CG 4.49Å; P193-P195 WeakPolarHBondContact O-CD 3.22Å; P195-S197 PolarHBondContact O-N 2.72Å; P195-L198 HydrophobicContact CB-CG 4.3Å; P195-L198 WeakPolarHBondContact O-CB 3.36Å; P195-L198 PolarHBondContact O-N 2.69Å
196	A	92.4	Very high	91.1	Very high	77 Å²	77	44.9 Å²	44.9	64%	0.636	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-59.8	-26.9	174.5	0	0	0	0	0	112.1	L194 L198 G199	L194-A196 PolarHBondContact O-N 3.04Å; A196-L198 PolarHBondContact O-N 3.2Å; A196-G199 PolarHBondContact O-N 3.44Å
197	S	93.1	Very high	90.9	Very high	10 Å²	10	44.8 Å²	44.8	7%	0.07	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-56.1	-31.3	174.5	70.8	0	0	0	0	112.8	P171 G174 P195 G199 A200	P171-S197 VanDerWaalsContact O-CB 3.26Å; P171-S197 WeakPolarHBondContact O-CB 3.26Å; P171-S197 PolarHBondContact O-OG 2.77Å; G174-S197 WeakPolarHBondContact CA-O 3.21Å; G174-S197 PolarHBondContact N-OG 3.4Å; P195-S197 PolarHBondContact O-N 2.72Å; S197-G199 PolarHBondContact O-N 3.42Å; S197-A200 WeakPolarHBondContact O-CA 3.44Å; S197-A200 WeakPolarHBondContact O-CB 3.06Å; S197-A200 PolarHBondContact O-N 3.47Å
198	L	91.6	Very high	90.5	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-59.3	-35.9	177.3	-68.1	173.6	0	0	0	110.7	I173 L183 L194 P195 A196 A200 M201 L222	I173-L198 HydrophobicContact CG2-CD2 3.57Å; I173-L198 HydrophobicContact CG2-CG 4.13Å; L183-L198 HydrophobicContact CD2-CD2 3.61Å; L194-L198 HydrophobicContact CD2-CD1 4Å; P195-L198 HydrophobicContact CB-CG 4.3Å; P195-L198 WeakPolarHBondContact O-CB 3.36Å; P195-L198 PolarHBondContact O-N 2.69Å; A196-L198 PolarHBondContact O-N 3.2Å; L198-A200 PolarHBondContact O-N 3.13Å; L198-M201 HydrophobicContact CB-CE 4.16Å; L198-M201 HydrophobicContact CD2-CE 3.28Å; L198-M201 HydrophobicContact CG-CE 4.29Å; L198-M201 PolarHBondContact O-N 2.89Å; L198-L222 HydrophobicContact CB-CD1 3.89Å; L198-L222 HydrophobicContact CB-CD2 3.78Å; L198-L222 HydrophobicContact CB-CG 4.34Å; L198-L222 HydrophobicContact CD1-CD1 4.15Å
199	G	84.7	Confident	90.4	Very high	10 Å²	10	37.3 Å²	37.3	10%	0.103	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-70.2	-18.2	175.4	0	0	0	0	0	113.4	A196 S197 R221	A196-G199 PolarHBondContact O-N 3.44Å; S197-G199 PolarHBondContact O-N 3.42Å; G199-R221 WeakPolarHBondContact O-CD 3.23Å; G199-R221 WeakPolarHBondContact O-CG 3.39Å; G199-R221 PolarHBondContact O-NE 3.42Å; G199-R221 PolarHBondContact O-NH1 3.37Å; G199-R221 VanDerWaalsContact O-NH1 3.13Å
200	A	83.4	Confident	90.3	Very high	46 Å²	46	36.2 Å²	36.2	38%	0.38	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-82.9	-12.2	176.9	0	0	0	0	0	113.3	S197 L198 A202	S197-A200 WeakPolarHBondContact O-CA 3.44Å; S197-A200 WeakPolarHBondContact O-CB 3.06Å; S197-A200 PolarHBondContact O-N 3.47Å; L198-A200 PolarHBondContact O-N 3.13Å; A200-A202 PolarHBondContact O-N 3.45Å; A200-A202 VanDerWaalsContact O-N 3.08Å
201	M	83.8	Confident	90.2	Very high	18 Å²	18	37.6 Å²	37.6	9%	0.089	25%	0.246	C	C	.	.			trans	-72.8	102.1	179.4	-74.3	-168.2	-86.7	0	0	111.7	G174 L180 L198 R203 L204	G174-M201 WeakPolarHBondContact O-CG 3.03Å; L180-M201 HydrophobicContact CB-SD 4.03Å; L180-M201 HydrophobicContact CD2-SD 4.16Å; L198-M201 HydrophobicContact CB-CE 4.16Å; L198-M201 HydrophobicContact CD2-CE 3.28Å; L198-M201 HydrophobicContact CG-CE 4.29Å; L198-M201 PolarHBondContact O-N 2.89Å; M201-R203 PolarHBondContact O-N 2.96Å; M201-L204 HydrophobicContact CB-CB 3.74Å; M201-L204 HydrophobicContact CE-CD1 4.34Å; M201-L204 HydrophobicContact CE-CD2 3.73Å; M201-L204 HydrophobicContact CE-CG 4.42Å; M201-L204 PolarHBondContact O-N 2.85Å; M201-L204 HydrophobicContact SD-CB 4.41Å; M201-L204 HydrophobicContact SD-CD1 4.44Å
202	A	80.1	Confident	90.2	Very high	95 Å²	95	35 Å²	35	79%	0.785	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.8	-177.7	0	0	0	0	0	114.3	A200	A200-A202 PolarHBondContact O-N 3.45Å; A200-A202 VanDerWaalsContact O-N 3.08Å
203	R	81.6	Confident	90.2	Very high	140 Å²	140	39.5 Å²	39.5	53%	0.528	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-8.1	-176.1	-47.8	-175.6	88.9	163.3	7.6	113.6	L180 L181 M201 A205	L180-R203 CarbonylContact O-C 3.19Å; L181-R203 HydrophobicContact CD2-CB 3.79Å; L181-R203 VanDerWaalsContact CD2-O 3.3Å; L181-R203 WeakPolarHBondContact CD2-O 3.34Å; M201-R203 PolarHBondContact O-N 2.96Å; R203-A205 PolarHBondContact O-N 3.19Å
204	L	84.2	Confident	90.3	Very high	11 Å²	11	35.4 Å²	35.4	6%	0.058	22%	0.223	C	C	.	.			trans	-68.2	107.7	-175.3	-171	75.4	0	0	0	109.9	L180 L183 M201 L207 F226	L180-L204 HydrophobicContact CD2-CD1 4.27Å; L180-L204 HydrophobicContact CG-CD1 4.31Å; L180-L204 WeakPolarHBondContact O-CA 3.05Å; L180-L204 PolarHBondContact O-N 2.87Å; L183-L204 HydrophobicContact CB-CD1 4.04Å; M201-L204 HydrophobicContact CB-CB 3.74Å; M201-L204 HydrophobicContact CE-CD1 4.34Å; M201-L204 HydrophobicContact CE-CD2 3.73Å; M201-L204 HydrophobicContact CE-CG 4.42Å; M201-L204 PolarHBondContact O-N 2.85Å; M201-L204 HydrophobicContact SD-CB 4.41Å; M201-L204 HydrophobicContact SD-CD1 4.44Å; L204-L207 HydrophobicContact CD2-CB 4.14Å; L204-L207 HydrophobicContact CD2-CD1 4.39Å; L204-F226 HydrophobicContact CB-CZ 4.41Å; L204-F226 HydrophobicContact CD2-CE2 4.1Å; L204-F226 HydrophobicContact CD2-CZ 3.74Å; L204-F226 HydrophobicContact CG-CZ 3.96Å; L204-F226 WeakPolarHBondContact O-CZ 3.04Å
205	A	81.3	Confident	90.2	Very high	55 Å²	55	39 Å²	39	46%	0.455	24%	0.239	S	C	.	.			trans	-95.9	-26.2	-178.5	0	0	0	0	0	112.4	L181 R203	L181-A205 PolarHBondContact O-N 3.11Å; R203-A205 PolarHBondContact O-N 3.19Å
206	K	84.6	Confident	90.2	Very high	52 Å²	52	40 Å²	40	23%	0.226	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	124.9	-178.1	-64.1	-172.7	178.9	-165.6	0	111.3	L181 T182 L183	L181-K206 PolarHBondContact O-N 2.98Å; T182-K206 WeakPolarHBondContact CA-O 3.33Å; T182-K206 HydrophobicContact CG2-CB 3.86Å; T182-K206 HydrophobicContact CG2-CD 4.45Å; L183-K206 PolarHBondContact N-O 2.64Å
207	L	89.8	Confident	90.4	Very high	5 Å²	5	42 Å²	42	3%	0.026	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.2	173.4	179.8	63.5	0	0	0	108.9	L183 L204 V209 L222 F226 S230 F231	L183-L207 HydrophobicContact CB-CD1 4.15Å; L183-L207 HydrophobicContact CD2-CD1 4.03Å; L183-L207 HydrophobicContact CG-CD1 4.21Å; L183-L207 WeakPolarHBondContact O-CA 3.47Å; L204-L207 HydrophobicContact CD2-CB 4.14Å; L204-L207 HydrophobicContact CD2-CD1 4.39Å; L207-V209 HydrophobicContact CD1-CG1 3.85Å; L207-V209 HydrophobicContact CG-CG1 4.31Å; L207-L222 HydrophobicContact CD2-CD1 4.35Å; L207-L222 HydrophobicContact CD2-CD2 4.01Å; L207-F226 HydrophobicContact CB-CD1 3.85Å; L207-F226 HydrophobicContact CB-CD2 3.97Å; L207-F226 HydrophobicContact CB-CE1 3.79Å; L207-F226 HydrophobicContact CB-CE2 3.91Å; L207-F226 HydrophobicContact CB-CG 3.95Å; L207-F226 HydrophobicContact CB-CZ 3.83Å; L207-F226 HydrophobicContact CD2-CD2 3.8Å; L207-F226 HydrophobicContact CD2-CE2 3.95Å; L207-F226 HydrophobicContact CD2-CG 4.39Å; L207-S230 WeakPolarHBondContact O-CB 3.06Å; L207-S230 PolarHBondContact O-OG 3.04Å; L207-F231 HydrophobicContact CD2-CE1 4.12Å; L207-F231 HydrophobicContact CD2-CZ 4.29Å
208	N	89.6	Confident	90.5	Very high	47 Å²	47	41.8 Å²	41.8	25%	0.251	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	114.2	169.3	-168.2	-6.2	0	0	0	110.5	L183 L185 A186 S210	L183-N208 PolarHBondContact O-N 2.95Å; L185-N208 PolarHBondContact N-O 3.11Å; A186-N208 HydrophobicContact CB-CB 4.43Å; A186-N208 WeakPolarHBondContact CB-OD1 3.4Å; A186-N208 PolarHBondContact N-O 3.26Å; A186-N208 VanDerWaalsContact N-O 3.17Å; N208-S210 VanDerWaalsContact OD1-CB 3.32Å; N208-S210 WeakPolarHBondContact OD1-CB 3.44Å; N208-S210 PolarHBondContact OD1-N 3.18Å; N208-S210 VanDerWaalsContact OD1-N 3.1Å; N208-S210 PolarHBondContact OD1-OG 2.91Å
209	V	96.8	Very high	90.7	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.249	C	C	.	.			trans	-122.6	14.6	179.6	-64.7	0	0	0	0	111.2	I169 L185 L194 L207 N212 L214 S230 F231 N234	I169-V209 HydrophobicContact CD1-CG1 4.33Å; L185-V209 HydrophobicContact CB-CG1 4.46Å; L194-V209 HydrophobicContact CD1-CG2 4.43Å; L194-V209 HydrophobicContact CD2-CB 4.4Å; L194-V209 HydrophobicContact CD2-CG1 4.12Å; L194-V209 HydrophobicContact CD2-CG2 4.03Å; L207-V209 HydrophobicContact CD1-CG1 3.85Å; L207-V209 HydrophobicContact CG-CG1 4.31Å; V209-N212 PolarHBondContact O-ND2 3.16Å; V209-L214 HydrophobicContact CB-CD1 3.73Å; V209-L214 HydrophobicContact CG1-CD1 4.44Å; V209-L214 HydrophobicContact CG2-CD1 4.01Å; V209-S230 CarbonylContact C-O 3.58Å; V209-S230 WeakPolarHBondContact CG2-O 3.32Å; V209-S230 PolarHBondContact N-O 2.99Å; V209-F231 HydrophobicContact CG2-CD1 3.64Å; V209-F231 HydrophobicContact CG2-CE1 4.11Å; V209-N234 PolarHBondContact O-ND2 2.98Å
210	S	94.8	Very high	91.1	Very high	23 Å²	23	51 Å²	51	16%	0.161	28%	0.28	C	S	.	.			trans	-63.6	151.8	-176.6	59.8	0	0	0	0	112.9	A186 R187 N208 N212 S230 T232	A186-S210 CarbonylContact C-O 3.49Å; A186-S210 WeakPolarHBondContact CA-O 3.36Å; A186-S210 WeakPolarHBondContact CB-O 3.34Å; R187-S210 PolarHBondContact N-O 2.79Å; N208-S210 VanDerWaalsContact OD1-CB 3.32Å; N208-S210 WeakPolarHBondContact OD1-CB 3.44Å; N208-S210 PolarHBondContact OD1-N 3.18Å; N208-S210 VanDerWaalsContact OD1-N 3.1Å; N208-S210 PolarHBondContact OD1-OG 2.91Å; S210-N212 PolarHBondContact O-ND2 3.02Å; S210-S230 PolarHBondContact N-O 3.01Å; S210-S230 VanDerWaalsContact N-O 3.13Å; S210-T232 CarbonylContact C-O 3.4Å; S210-T232 WeakPolarHBondContact CA-O 3.43Å; S210-T232 WeakPolarHBondContact CB-O 3.49Å
211	G	96.7	Very high	91.4	Very high	29 Å²	29	56 Å²	56	30%	0.299	29%	0.29	S	S	.	.	S	Bend	trans	63.9	52.4	178.1	0	0	0	0	0	113.2	R187 N188 T232 G233	R187-G211 WeakPolarHBondContact CA-O 3.5Å; R187-G211 PolarHBondContact N-O 2.74Å; N188-G211 PolarHBondContact N-O 3.36Å; G211-T232 PolarHBondContact N-O 3.17Å; G211-G233 VanDerWaalsContact CA-O 3.3Å; G211-G233 WeakPolarHBondContact CA-O 3.28Å
212	N	98.4	Very high	91.7	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.011	29%	0.286	C	S	.	.	S	Bend	trans	-131.6	-171.7	174.1	-82.3	-78.8	0	0	0	109.4	L185 N188 S189 L190 V209 S210 L214 G233 N234 P235	L185-N212 PolarHBondContact O-ND2 2.9Å; N188-N212 VanDerWaalsContact CA-OD1 3.28Å; N188-N212 WeakPolarHBondContact CA-OD1 3.49Å; N188-N212 WeakPolarHBondContact CB-OD1 3.29Å; N188-N212 PolarHBondContact N-OD1 3.26Å; N188-N212 PolarHBondContact O-OD1 2.9Å; S189-N212 PolarHBondContact N-OD1 2.81Å; L190-N212 HydrophobicContact CB-CB 4.37Å; L190-N212 WeakPolarHBondContact CB-OD1 3.11Å; L190-N212 PolarHBondContact N-OD1 3.19Å; L190-N212 VanDerWaalsContact N-OD1 3.08Å; V209-N212 PolarHBondContact O-ND2 3.16Å; S210-N212 PolarHBondContact O-ND2 3.02Å; N212-L214 HydrophobicContact CB-CD1 4.33Å; N212-L214 HydrophobicContact CB-CG 4Å; N212-G233 PolarHBondContact N-O 2.92Å; N212-N234 VanDerWaalsContact CA-OD1 3.3Å; N212-N234 WeakPolarHBondContact CA-OD1 3.38Å; N212-N234 WeakPolarHBondContact CB-OD1 3.47Å; N212-N234 PolarHBondContact N-OD1 3.43Å; N212-N234 WeakPolarHBondContact O-CA 3.43Å; N212-N234 PolarHBondContact O-OD1 3.38Å; N212-N234 VanDerWaalsContact O-OD1 3.07Å; N212-P235 WeakPolarHBondContact O-CD 3.47Å
213	H	97.8	Very high	92.1	Very high	102 Å²	102	51.7 Å²	51.7	47%	0.472	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	33	173.2	-56.7	-62.7	0	0	0	111.7	L190 V191	L190-H213 CarbonylContact O-C 3.55Å; L190-H213 VanDerWaalsContact O-CA 3.23Å; L190-H213 WeakPolarHBondContact O-CA 3.3Å; L190-H213 WeakPolarHBondContact O-CB 3.48Å; L190-H213 PolarHBondContact O-N 3.19Å; V191-H213 HydrophobicContact CG1-CB 3.84Å
214	L	98.2	Very high	92.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	144.9	179.1	-60.1	170.2	0	0	0	110.6	I169 L190 G192 L194 V209 N212 N234 E236 L237	I169-L214 HydrophobicContact CD1-CD1 4.28Å; I169-L214 HydrophobicContact CD1-CD2 4.09Å; I169-L214 HydrophobicContact CG1-CD2 4.48Å; L190-L214 HydrophobicContact CB-CD2 4.17Å; L190-L214 PolarHBondContact O-N 2.93Å; G192-L214 WeakPolarHBondContact O-CA 3.39Å; L194-L214 HydrophobicContact CD2-CD1 3.85Å; L194-L214 HydrophobicContact CG-CD1 4.2Å; V209-L214 HydrophobicContact CB-CD1 3.73Å; V209-L214 HydrophobicContact CG1-CD1 4.44Å; V209-L214 HydrophobicContact CG2-CD1 4.01Å; N212-L214 HydrophobicContact CB-CD1 4.33Å; N212-L214 HydrophobicContact CB-CG 4Å; L214-N234 HydrophobicContact CB-CB 4.41Å; L214-N234 VanDerWaalsContact CB-OD1 3.29Å; L214-N234 WeakPolarHBondContact CB-OD1 3.32Å; L214-N234 WeakPolarHBondContact CG-OD1 3.2Å; L214-N234 PolarHBondContact N-OD1 3.21Å; L214-E236 CarbonylContact O-C 3.55Å; L214-L237 HydrophobicContact CB-CD1 4.04Å; L214-L237 PolarHBondContact O-N 3.31Å
215	Q	96.4	Very high	92.6	Very high	82 Å²	82	53.1 Å²	53.1	38%	0.383	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	162.3	-171.1	68.7	-167.4	62.8	0	0	113	G192 P193 E236	G192-Q215 PolarHBondContact O-N 2.76Å; P193-Q215 WeakPolarHBondContact CA-O 3.49Å; Q215-E236 HydrophobicContact CB-CB 3.53Å; Q215-E236 WeakPolarHBondContact CB-OE2 3.49Å
216	G	95.8	Very high	92.8	Very high	33 Å²	33	51.2 Å²	51.2	34%	0.34	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	83.1	-169.6	176	0	0	0	0	0	114	E236 L237 C238	G216-E236 PolarHBondContact N-O 3.33Å; G216-L237 WeakPolarHBondContact O-CA 3.5Å; G216-C238 PolarHBondContact O-N 3.19Å
217	R	95.5	Very high	93	Very high	121 Å²	121	52.2 Å²	52.2	46%	0.457	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	133.1	-173.6	-179.3	171	-70.2	-164.3	0.1	111.5	P219 C238 C246 E248	R217-P219 WeakPolarHBondContact O-CD 3.42Å; R217-C238 WeakPolarHBondContact CA-O 3.39Å; R217-C246 PolarHBondContact NE-SG 3.39Å; R217-E248 IonicContact CZ-OE1 2.83Å; R217-E248 IonicContact NH1-OE1 2.68Å; R217-E248 PolarHBondContact NH1-OE1 2.93Å; R217-E248 VanDerWaalsContact NH2-CD 3.31Å; R217-E248 IonicContact NH2-OE1 3.24Å; R217-E248 PolarHBondContact NH2-OE1 3.38Å
218	I	96.4	Very high	92.9	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.021	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-62.8	124.1	170.3	-57.3	176.1	0	0	0	109.4	L194 K220 L222 A223 F231 L237 C238 L242	L194-I218 HydrophobicContact CD1-CG1 4.42Å; L194-I218 HydrophobicContact CD1-CG2 4.44Å; I218-K220 PolarHBondContact O-N 2.82Å; I218-L222 HydrophobicContact CG2-CB 4.24Å; I218-A223 HydrophobicContact CG2-CB 4.03Å; I218-F231 HydrophobicContact CD1-CB 3.82Å; I218-F231 HydrophobicContact CD1-CD1 4.12Å; I218-F231 HydrophobicContact CD1-CD2 4.06Å; I218-F231 HydrophobicContact CD1-CG 3.73Å; I218-F231 HydrophobicContact CG2-CD1 4.38Å; I218-F231 HydrophobicContact CG2-CE1 4.05Å; I218-F231 HydrophobicContact CG2-CE2 4.41Å; I218-F231 HydrophobicContact CG2-CZ 4.06Å; I218-L237 HydrophobicContact CD1-CD2 3.8Å; I218-L237 HydrophobicContact CD1-CG 4.18Å; I218-L237 HydrophobicContact CG1-CD1 4.3Å; I218-L237 HydrophobicContact CG1-CD2 3.67Å; I218-L237 HydrophobicContact CG1-CG 3.68Å; I218-C238 PolarHBondContact N-O 3.12Å; I218-L242 HydrophobicContact CD1-CD1 3.79Å; I218-L242 HydrophobicContact CD1-CG 3.75Å
219	P	95.2	Very high	92.8	Very high	27 Å²	27	54 Å²	54	18%	0.175	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-53.9	130.9	175.4	-27.5	33.7	0	0	0	112.2	L194 R217 R221 L222 A223	L194-P219 HydrophobicContact CB-CG 4.24Å; R217-P219 WeakPolarHBondContact O-CD 3.42Å; P219-R221 PolarHBondContact O-N 3.47Å; P219-L222 HydrophobicContact CB-CD1 4.19Å; P219-L222 HydrophobicContact CB-CG 4.22Å; P219-L222 HydrophobicContact CG-CD1 3.97Å; P219-L222 WeakPolarHBondContact O-CB 3.33Å; P219-L222 PolarHBondContact O-N 3.18Å; P219-A223 PolarHBondContact O-N 3.3Å
220	K	91.7	Very high	92.5	Very high	178 Å²	178	54.5 Å²	54.5	77%	0.774	31%	0.306	S	S	*	.	H	α-helix	trans	-50.4	-39.5	-173.1	-67.7	-177.2	179.6	178.9	0	113.8	I218 A223 A224	I218-K220 PolarHBondContact O-N 2.82Å; K220-A223 WeakPolarHBondContact O-CB 3.3Å; K220-A223 PolarHBondContact O-N 2.98Å; K220-A224 PolarHBondContact O-N 2.84Å
221	R	89.8	Confident	92.5	Very high	152 Å²	152	53.4 Å²	53.4	57%	0.574	30%	0.299	S	S	*	.	H	α-helix	trans	-69.3	-38.7	-179.4	-168.7	158.3	-179.4	-157.8	5.3	112.5	G199 P219 A223 A224 V225	G199-R221 WeakPolarHBondContact O-CD 3.23Å; G199-R221 WeakPolarHBondContact O-CG 3.39Å; G199-R221 PolarHBondContact O-NE 3.42Å; G199-R221 PolarHBondContact O-NH1 3.37Å; G199-R221 VanDerWaalsContact O-NH1 3.13Å; P219-R221 PolarHBondContact O-N 3.47Å; R221-A223 VanDerWaalsContact C-N 3.3Å; R221-A224 PolarHBondContact O-N 3.47Å; R221-V225 VanDerWaalsContact O-CG2 3.28Å; R221-V225 WeakPolarHBondContact O-CG2 3.33Å; R221-V225 PolarHBondContact O-N 3.37Å
222	L	91	Very high	92.2	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-64.8	-40.3	171.6	-64.3	-178.2	0	0	0	110.9	L194 L198 L207 I218 P219 A224 V225 F226 F231	L194-L222 HydrophobicContact CB-CD1 4.41Å; L198-L222 HydrophobicContact CB-CD1 3.89Å; L198-L222 HydrophobicContact CB-CD2 3.78Å; L198-L222 HydrophobicContact CB-CG 4.34Å; L198-L222 HydrophobicContact CD1-CD1 4.15Å; L207-L222 HydrophobicContact CD2-CD1 4.35Å; L207-L222 HydrophobicContact CD2-CD2 4.01Å; I218-L222 HydrophobicContact CG2-CB 4.24Å; P219-L222 HydrophobicContact CB-CD1 4.19Å; P219-L222 HydrophobicContact CB-CG 4.22Å; P219-L222 HydrophobicContact CG-CD1 3.97Å; P219-L222 WeakPolarHBondContact O-CB 3.33Å; P219-L222 PolarHBondContact O-N 3.18Å; L222-A224 VanDerWaalsContact C-N 3.28Å; L222-A224 PolarHBondContact O-N 3.01Å; L222-V225 PolarHBondContact O-N 3.43Å; L222-F226 HydrophobicContact CB-CD2 4.35Å; L222-F226 HydrophobicContact CD2-CD2 3.93Å; L222-F226 HydrophobicContact CD2-CE2 3.7Å; L222-F226 PolarHBondContact O-N 2.9Å; L222-F231 HydrophobicContact CB-CZ 4.07Å
223	A	89.2	Confident	92	Very high	22 Å²	22	57.9 Å²	57.9	18%	0.182	33%	0.329	C	S	.	.	H	α-helix	trans	-65.7	-30.3	-179.3	0	0	0	0	0	114.1	I218 P219 K220 R221 A240	I218-A223 HydrophobicContact CG2-CB 4.03Å; P219-A223 PolarHBondContact O-N 3.3Å; K220-A223 WeakPolarHBondContact O-CB 3.3Å; K220-A223 PolarHBondContact O-N 2.98Å; R221-A223 VanDerWaalsContact C-N 3.3Å; A223-A240 WeakPolarHBondContact CB-O 3.21Å
224	A	88.7	Confident	92	Very high	88 Å²	88	53.4 Å²	53.4	73%	0.727	31%	0.309	S	S	*	.	H	α-helix	trans	-78.4	-28.8	177	0	0	0	0	0	113	K220 R221 L222	K220-A224 PolarHBondContact O-N 2.84Å; R221-A224 PolarHBondContact O-N 3.47Å; L222-A224 VanDerWaalsContact C-N 3.28Å; L222-A224 PolarHBondContact O-N 3.01Å
225	V	87.1	Confident	91.8	Very high	92 Å²	92	57.7 Å²	57.7	56%	0.558	34%	0.337	S	S	*	.	H	α-helix	trans	-96.6	-36.4	-172.5	177.5	0	0	0	0	112.2	R221 L222	R221-V225 VanDerWaalsContact O-CG2 3.28Å; R221-V225 WeakPolarHBondContact O-CG2 3.33Å; R221-V225 PolarHBondContact O-N 3.37Å; L222-V225 PolarHBondContact O-N 3.43Å
226	F	86	Confident	91.7	Very high	16 Å²	16	59 Å²	59	7%	0.07	34%	0.343	C	S	.	.	S	Bend	trans	-111.9	142.7	-172.2	-58.5	-67.2	0	0	0	112.3	L204 L207 L222 F231	L204-F226 HydrophobicContact CB-CZ 4.41Å; L204-F226 HydrophobicContact CD2-CE2 4.1Å; L204-F226 HydrophobicContact CD2-CZ 3.74Å; L204-F226 HydrophobicContact CG-CZ 3.96Å; L204-F226 WeakPolarHBondContact O-CZ 3.04Å; L207-F226 HydrophobicContact CB-CD1 3.85Å; L207-F226 HydrophobicContact CB-CD2 3.97Å; L207-F226 HydrophobicContact CB-CE1 3.79Å; L207-F226 HydrophobicContact CB-CE2 3.91Å; L207-F226 HydrophobicContact CB-CG 3.95Å; L207-F226 HydrophobicContact CB-CZ 3.83Å; L207-F226 HydrophobicContact CD2-CD2 3.8Å; L207-F226 HydrophobicContact CD2-CE2 3.95Å; L207-F226 HydrophobicContact CD2-CG 4.39Å; L222-F226 HydrophobicContact CB-CD2 4.35Å; L222-F226 HydrophobicContact CD2-CD2 3.93Å; L222-F226 HydrophobicContact CD2-CE2 3.7Å; L222-F226 PolarHBondContact O-N 2.9Å; F226-F231 HydrophobicContact CB-CE2 3.8Å; F226-F231 HydrophobicContact CB-CZ 3.88Å
227	P	87.9	Confident	91.7	Very high	73 Å²	73	57.4 Å²	57.4	47%	0.474	33%	0.327	S	S	.	.			trans	-72.3	165.1	-177.6	30.9	-36.8	0	0	0	112.8	S229 S230 F231	P227-S229 WeakPolarHBondContact CG-OG 3.34Å; P227-S229 PolarHBondContact O-N 3.32Å; P227-S229 VanDerWaalsContact O-N 3.17Å; P227-S230 WeakPolarHBondContact O-CB 3.03Å; P227-S230 PolarHBondContact O-N 3.33Å; P227-F231 WeakPolarHBondContact O-CD2 3.32Å
228	A	88.4	Confident	91.7	Very high	39 Å²	39	52.3 Å²	52.3	32%	0.322	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-53.4	-36.9	176.5	0	0	0	0	0	113.6	S230 F231 T232 P241 L242	A228-S230 PolarHBondContact O-N 3.37Å; A228-S230 VanDerWaalsContact O-N 3.14Å; A228-F231 PolarHBondContact O-N 3.16Å; A228-T232 PolarHBondContact O-N 3.13Å; A228-T232 VanDerWaalsContact O-N 3.09Å; A228-T232 PolarHBondContact O-OG1 2.92Å; A228-P241 HydrophobicContact CB-CB 4.1Å; A228-P241 HydrophobicContact CB-CG 4.26Å; A228-L242 HydrophobicContact CB-CD2 4.38Å
229	S	87.2	Confident	91.6	Very high	50 Å²	50	52.7 Å²	52.7	35%	0.35	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-57.9	-27.3	178.7	57.1	0	0	0	0	113.7	P227 F231 N550	P227-S229 WeakPolarHBondContact CG-OG 3.34Å; P227-S229 PolarHBondContact O-N 3.32Å; P227-S229 VanDerWaalsContact O-N 3.17Å; S229-F231 PolarHBondContact O-N 3.18Å; S229-N550 PolarHBondContact OG-ND2 3.33Å
230	S	89.8	Confident	91.4	Very high	11 Å²	11	54.6 Å²	54.6	8%	0.077	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-67.4	-20.2	176.7	-67.4	0	0	0	0	113.2	L207 V209 S210 P227 A228	L207-S230 WeakPolarHBondContact O-CB 3.06Å; L207-S230 PolarHBondContact O-OG 3.04Å; V209-S230 CarbonylContact C-O 3.58Å; V209-S230 WeakPolarHBondContact CG2-O 3.32Å; V209-S230 PolarHBondContact N-O 2.99Å; S210-S230 PolarHBondContact N-O 3.01Å; S210-S230 VanDerWaalsContact N-O 3.13Å; P227-S230 WeakPolarHBondContact O-CB 3.03Å; P227-S230 PolarHBondContact O-N 3.33Å; A228-S230 PolarHBondContact O-N 3.37Å; A228-S230 VanDerWaalsContact O-N 3.14Å
231	F	94.4	Very high	91.4	Very high	0 Å²	0	48 Å²	48	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-14.8	-170.2	-54.9	-72.6	0	0	0	113.9	L194 L207 V209 I218 L222 F226 P227 A228 S229 N234 L237 P241 L242	L194-F231 HydrophobicContact CD1-CD1 3.69Å; L194-F231 HydrophobicContact CD1-CE1 3.71Å; L207-F231 HydrophobicContact CD2-CE1 4.12Å; L207-F231 HydrophobicContact CD2-CZ 4.29Å; V209-F231 HydrophobicContact CG2-CD1 3.64Å; V209-F231 HydrophobicContact CG2-CE1 4.11Å; I218-F231 HydrophobicContact CD1-CB 3.82Å; I218-F231 HydrophobicContact CD1-CD1 4.12Å; I218-F231 HydrophobicContact CD1-CD2 4.06Å; I218-F231 HydrophobicContact CD1-CG 3.73Å; I218-F231 HydrophobicContact CG2-CD1 4.38Å; I218-F231 HydrophobicContact CG2-CE1 4.05Å; I218-F231 HydrophobicContact CG2-CE2 4.41Å; I218-F231 HydrophobicContact CG2-CZ 4.06Å; L222-F231 HydrophobicContact CB-CZ 4.07Å; F226-F231 HydrophobicContact CB-CE2 3.8Å; F226-F231 HydrophobicContact CB-CZ 3.88Å; P227-F231 WeakPolarHBondContact O-CD2 3.32Å; A228-F231 PolarHBondContact O-N 3.16Å; S229-F231 PolarHBondContact O-N 3.18Å; F231-N234 PolarHBondContact O-ND2 2.8Å; F231-L237 HydrophobicContact CB-CD2 3.84Å; F231-L237 HydrophobicContact CD1-CD2 4.2Å; F231-L237 HydrophobicContact CG-CD2 4.41Å; F231-P241 HydrophobicContact CD2-CG 3.61Å; F231-P241 HydrophobicContact CE2-CG 3.82Å; F231-L242 HydrophobicContact CB-CD1 4.18Å; F231-L242 HydrophobicContact CB-CD2 4.08Å; F231-L242 HydrophobicContact CB-CG 4.17Å
232	T	92	Very high	91.5	Very high	77 Å²	77	42.1 Å²	42.1	47%	0.472	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	154.4	-179.4	-62	0	0	0	0	112.8	S210 G211 A228 N234	S210-T232 CarbonylContact C-O 3.4Å; S210-T232 WeakPolarHBondContact CA-O 3.43Å; S210-T232 WeakPolarHBondContact CB-O 3.49Å; G211-T232 PolarHBondContact N-O 3.17Å; A228-T232 PolarHBondContact O-N 3.13Å; A228-T232 VanDerWaalsContact O-N 3.09Å; A228-T232 PolarHBondContact O-OG1 2.92Å; T232-N234 VanDerWaalsContact C-N 3.29Å; T232-N234 PolarHBondContact O-N 3.21Å
233	G	94.5	Very high	91.4	Very high	47 Å²	47	54.2 Å²	54.2	49%	0.485	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	15.9	178.3	0	0	0	0	0	114	G211 N212	G211-G233 VanDerWaalsContact CA-O 3.3Å; G211-G233 WeakPolarHBondContact CA-O 3.28Å; N212-G233 PolarHBondContact N-O 2.92Å
234	N	97.1	Very high	91.5	Very high	9 Å²	9	59 Å²	59	5%	0.048	35%	0.347	C	S	.	.			trans	-107.2	103.8	167.4	-71.9	-83.6	0	0	0	108.9	V209 N212 L214 F231 T232 E236 L237	V209-N234 PolarHBondContact O-ND2 2.98Å; N212-N234 VanDerWaalsContact CA-OD1 3.3Å; N212-N234 WeakPolarHBondContact CA-OD1 3.38Å; N212-N234 WeakPolarHBondContact CB-OD1 3.47Å; N212-N234 PolarHBondContact N-OD1 3.43Å; N212-N234 WeakPolarHBondContact O-CA 3.43Å; N212-N234 PolarHBondContact O-OD1 3.38Å; N212-N234 VanDerWaalsContact O-OD1 3.07Å; L214-N234 HydrophobicContact CB-CB 4.41Å; L214-N234 VanDerWaalsContact CB-OD1 3.29Å; L214-N234 WeakPolarHBondContact CB-OD1 3.32Å; L214-N234 WeakPolarHBondContact CG-OD1 3.2Å; L214-N234 PolarHBondContact N-OD1 3.21Å; F231-N234 PolarHBondContact O-ND2 2.8Å; T232-N234 VanDerWaalsContact C-N 3.29Å; T232-N234 PolarHBondContact O-N 3.21Å; N234-E236 VanDerWaalsContact C-N 3.27Å; N234-E236 PolarHBondContact O-N 2.91Å; N234-L237 HydrophobicContact CB-CB 3.62Å; N234-L237 HydrophobicContact CB-CD2 4.13Å; N234-L237 HydrophobicContact CB-CG 4.47Å; N234-L237 PolarHBondContact O-N 2.92Å
235	P	93.5	Very high	91.5	Very high	90 Å²	90	65.1 Å²	65.1	58%	0.584	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-33.4	-171.2	-25.3	34.3	0	0	0	114.1	N212 R244	N212-P235 WeakPolarHBondContact O-CD 3.47Å; P235-R244 PolarHBondContact O-NE 3.01Å; P235-R244 PolarHBondContact O-NH1 3.25Å; P235-R244 PolarHBondContact O-NH2 3.48Å
236	E	95.4	Very high	91.7	Very high	109 Å²	109	62 Å²	62	51%	0.509	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-3.6	-174.7	-65.5	-164.9	178.6	0	0	114.3	L214 Q215 G216 N234 R244	L214-E236 CarbonylContact O-C 3.55Å; Q215-E236 HydrophobicContact CB-CB 3.53Å; Q215-E236 WeakPolarHBondContact CB-OE2 3.49Å; G216-E236 PolarHBondContact N-O 3.33Å; N234-E236 VanDerWaalsContact C-N 3.27Å; N234-E236 PolarHBondContact O-N 2.91Å; E236-R244 PolarHBondContact O-NH1 3.24Å
237	L	95.9	Very high	91.6	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	139.9	175.9	-152.9	74	0	0	0	111.4	L194 L214 G216 I218 F231 N234 L242 R244	L194-L237 HydrophobicContact CD1-CD1 4.03Å; L194-L237 HydrophobicContact CD1-CD2 4.01Å; L194-L237 HydrophobicContact CG-CD1 4.35Å; L214-L237 HydrophobicContact CB-CD1 4.04Å; L214-L237 PolarHBondContact O-N 3.31Å; G216-L237 WeakPolarHBondContact O-CA 3.5Å; I218-L237 HydrophobicContact CD1-CD2 3.8Å; I218-L237 HydrophobicContact CD1-CG 4.18Å; I218-L237 HydrophobicContact CG1-CD1 4.3Å; I218-L237 HydrophobicContact CG1-CD2 3.67Å; I218-L237 HydrophobicContact CG1-CG 3.68Å; F231-L237 HydrophobicContact CB-CD2 3.84Å; F231-L237 HydrophobicContact CD1-CD2 4.2Å; F231-L237 HydrophobicContact CG-CD2 4.41Å; N234-L237 HydrophobicContact CB-CB 3.62Å; N234-L237 HydrophobicContact CB-CD2 4.13Å; N234-L237 HydrophobicContact CB-CG 4.47Å; N234-L237 PolarHBondContact O-N 2.92Å; L237-L242 HydrophobicContact CB-CD1 4.2Å; L237-L242 HydrophobicContact CD2-CD1 4.1Å; L237-L242 HydrophobicContact CG-CD1 4.38Å; L237-R244 VanDerWaalsContact C-NH1 3.33Å; L237-R244 WeakPolarHBondContact O-CD 3.44Å; L237-R244 PolarHBondContact O-NH1 3.5Å
238	C	95.7	Very high	90.4	Very high	13 Å²	13	71.8 Å²	71.8	9%	0.088	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	164.8	-176.1	68.3	0	0	0	0	112.7	G216 R217 I218 R244 C246	G216-C238 PolarHBondContact O-N 3.19Å; R217-C238 WeakPolarHBondContact CA-O 3.39Å; I218-C238 PolarHBondContact N-O 3.12Å; C238-R244 HydrophobicContact CB-CG 4.24Å; C238-C246 HydrophobicContact CB-CB 3.97Å; C238-C246 WeakPolarHBondContact CB-SG 3.41Å; C238-C246 WeakPolarHBondContact SG-CA 3.22Å; C238-C246 WeakPolarHBondContact SG-CB 3.4Å; C238-C246 CovalentContact SG-SG 2.04Å; C238-C246 PolarHBondContact SG-SG 3.03Å
239	G	93.2	Very high	88.4	Confident	13 Å²	13	78.7 Å²	78.7	13%	0.134	40%	0.403	C	S	.	.	S	Bend	trans	92.3	165.8	-177.7	0	0	0	0	0	112.9	L242 R244 C246	G239-L242 WeakPolarHBondContact O-CA 3.47Å; G239-L242 WeakPolarHBondContact O-CB 3.47Å; G239-L242 PolarHBondContact O-N 3.35Å; G239-R244 PolarHBondContact N-O 3.22Å; G239-C246 PolarHBondContact N-SG 3.45Å
240	A	91.3	Very high	86.3	Confident	67 Å²	67	83.4 Å²	83.4	55%	0.554	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	146.9	175.5	0	0	0	0	0	110.7	A223 L242	A223-A240 WeakPolarHBondContact CB-O 3.21Å; A240-L242 VanDerWaalsContact C-N 3.31Å
241	P	91.9	Very high	83.7	Confident	38 Å²	38	92 Å²	92	25%	0.247	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	cis	-80.8	2.8	2.6	34.6	-41.5	0	0	0	114.3	A228 F231	A228-P241 HydrophobicContact CB-CB 4.1Å; A228-P241 HydrophobicContact CB-CG 4.26Å; F231-P241 HydrophobicContact CD2-CG 3.61Å; F231-P241 HydrophobicContact CE2-CG 3.82Å
242	L	91.2	Very high	80.9	Confident	30 Å²	30	98.6 Å²	98.6	16%	0.157	49%	0.494	C	S	.	.	S	Bend	trans	-73.4	149.8	174.5	-58.8	178.5	0	0	0	110.7	I218 A228 F231 L237 G239 A240 R244	I218-L242 HydrophobicContact CD1-CD1 3.79Å; I218-L242 HydrophobicContact CD1-CG 3.75Å; A228-L242 HydrophobicContact CB-CD2 4.38Å; F231-L242 HydrophobicContact CB-CD1 4.18Å; F231-L242 HydrophobicContact CB-CD2 4.08Å; F231-L242 HydrophobicContact CB-CG 4.17Å; L237-L242 HydrophobicContact CB-CD1 4.2Å; L237-L242 HydrophobicContact CD2-CD1 4.1Å; L237-L242 HydrophobicContact CG-CD1 4.38Å; G239-L242 WeakPolarHBondContact O-CA 3.47Å; G239-L242 WeakPolarHBondContact O-CB 3.47Å; G239-L242 PolarHBondContact O-N 3.35Å; A240-L242 VanDerWaalsContact C-N 3.31Å; L242-R244 PolarHBondContact O-N 3.03Å
243	R	89.3	Confident	78.1	Confident	255 Å²	255	101.4 Å²	101.4	96%	0.962	51%	0.511	S	S	*	.	S	Bend	trans	-70.9	-21.3	175	-67.2	-172.4	175.4	-175	-0.6	113	R245	R243-R245 PolarHBondContact O-N 2.96Å
244	R	90.6	Very high	75	Confident	122 Å²	122	109.4 Å²	109.4	46%	0.46	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-67.6	117.8	-179.1	-176.1	166.5	179.1	-110.1	6.3	110.1	P235 E236 L237 C238 G239 L242	P235-R244 PolarHBondContact O-NE 3.01Å; P235-R244 PolarHBondContact O-NH1 3.25Å; P235-R244 PolarHBondContact O-NH2 3.48Å; E236-R244 PolarHBondContact O-NH1 3.24Å; L237-R244 VanDerWaalsContact C-NH1 3.33Å; L237-R244 WeakPolarHBondContact O-CD 3.44Å; L237-R244 PolarHBondContact O-NH1 3.5Å; C238-R244 HydrophobicContact CB-CG 4.24Å; G239-R244 PolarHBondContact N-O 3.22Å; L242-R244 PolarHBondContact O-N 3.03Å
245	R	90.1	Very high	71.7	Confident	216 Å²	216	112 Å²	112	82%	0.815	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-76.4	145.6	174.8	-63.5	-174.2	-178.1	-149.1	0.9	110	R243	R243-R245 PolarHBondContact O-N 2.96Å
246	C	89.9	Confident	68.5	Low	26 Å²	26	111.5 Å²	111.5	18%	0.176	57%	0.569	C	S	.	*	P	Polyproline II helix	trans	-79.8	126.9	168.8	-60.2	0	0	0	0	108.5	R217 C238 G239 E248	R217-C246 PolarHBondContact NE-SG 3.39Å; C238-C246 HydrophobicContact CB-CB 3.97Å; C238-C246 WeakPolarHBondContact CB-SG 3.41Å; C238-C246 WeakPolarHBondContact SG-CA 3.22Å; C238-C246 WeakPolarHBondContact SG-CB 3.4Å; C238-C246 CovalentContact SG-SG 2.04Å; C238-C246 PolarHBondContact SG-SG 3.03Å; G239-C246 PolarHBondContact N-SG 3.45Å; C246-E248 PolarHBondContact O-N 3.48Å
247	N	83.3	Confident	65.2	Low	153 Å²	153	110.4 Å²	110.4	82%	0.818	59%	0.587	S	S	*	*			trans	-71.4	107.6	172.6	-74.6	-6.1	0	0	0	108.8
248	E	64.5	Low	62.1	Low	143 Å²	143	114.2 Å²	114.2	67%	0.668	63%	0.626	S	S	*	*			trans	-90.5	4.9	179.7	-98	178.5	-171.4	0	0	114.3	R217 C246	R217-E248 IonicContact CZ-OE1 2.83Å; R217-E248 IonicContact NH1-OE1 2.68Å; R217-E248 PolarHBondContact NH1-OE1 2.93Å; R217-E248 VanDerWaalsContact NH2-CD 3.31Å; R217-E248 IonicContact NH2-OE1 3.24Å; R217-E248 PolarHBondContact NH2-OE1 3.38Å; C246-E248 PolarHBondContact O-N 3.48Å
249	Q	46.2	Very low	58.8	Low	183 Å²	183	119.9 Å²	119.9	86%	0.855	67%	0.666	S	S	*	*			trans	-144.5	60	-170.2	-66.8	-177.3	-13.1	0	0	115.3
250	L	42	Very low	55.9	Low	150 Å²	150	122.7 Å²	122.7	79%	0.785	70%	0.695	S	S	*	*			trans	-120.5	41.8	151.6	-96.1	153.7	0	0	0	109.4	M252	L250-M252 VanDerWaalsContact C-N 3.28Å; L250-M252 PolarHBondContact O-N 3.36Å; L250-M252 VanDerWaalsContact O-N 3.15Å
251	H	35.9	Very low	53	Low	190 Å²	190	124.2 Å²	124.2	88%	0.88	71%	0.707	S	S	*	*			trans	-76.9	94.2	155.9	-127.6	-81.8	0	0	0	105.8	V253	H251-V253 PolarHBondContact O-N 3.34Å
252	M	35.9	Very low	50	Low	139 Å²	139	129.5 Å²	129.5	69%	0.685	73%	0.733	S	S	*	*			trans	-50.7	123.5	175	-66.1	-165.2	-148.8	0	0	109.4	L250 Y254	L250-M252 VanDerWaalsContact C-N 3.28Å; L250-M252 PolarHBondContact O-N 3.36Å; L250-M252 VanDerWaalsContact O-N 3.15Å; M252-Y254 HydrophobicContact CB-CD2 4.33Å; M252-Y254 PolarHBondContact O-N 2.88Å; M252-Y254 HydrophobicContact SD-CE2 4.31Å
253	V	33.5	Very low	47.1	Very low	137 Å²	137	133.6 Å²	133.6	83%	0.83	76%	0.76	S	S	*	*			trans	-62.8	99.4	162.8	176.2	0	0	0	0	106.9	H251	H251-V253 PolarHBondContact O-N 3.34Å
254	Y	28.4	Very low	44.1	Very low	214 Å²	214	126 Å²	126	84%	0.839	75%	0.746	S	S	*	*			trans	-105.6	125.6	153.6	-94.2	-81.4	0	0	0	107.2	M252	M252-Y254 HydrophobicContact CB-CD2 4.33Å; M252-Y254 PolarHBondContact O-N 2.88Å; M252-Y254 HydrophobicContact SD-CE2 4.31Å
255	G	27.9	Very low	41.4	Very low	63 Å²	63	129.3 Å²	129.3	65%	0.649	77%	0.766	S	S	*	*			trans	116.8	94	-177.9	0	0	0	0	0	110.4
256	G	26.4	Very low	38.3	Very low	81 Å²	81	125.8 Å²	125.8	84%	0.835	76%	0.759	S	S	*	*			cis	76.1	86.7	23.4	0	0	0	0	0	110.3
257	G	26.7	Very low	35.4	Very low	86 Å²	86	130.3 Å²	130.3	89%	0.887	79%	0.788	S	S	*	*			trans	93.8	130.3	161.1	0	0	0	0	0	116.2
258	G	29.4	Very low	32.6	Very low	80 Å²	80	131.3 Å²	131.3	83%	0.825	79%	0.785	S	S	*	*			trans	150.6	86.2	161.1	0	0	0	0	0	115.6
259	S	27.8	Very low	31	Very low	132 Å²	132	136.3 Å²	136.3	92%	0.923	80%	0.798	S	S	*	*			trans	-66.3	152.8	171.9	-36	0	0	0	0	113.1
260	G	31.3	Very low	30.4	Very low	72 Å²	72	131.3 Å²	131.3	74%	0.742	80%	0.795	S	S	*	*			trans	143.9	90.8	168.8	0	0	0	0	0	110.9
261	A	30	Very low	29.8	Very low	98 Å²	98	134 Å²	134	81%	0.81	80%	0.795	S	S	*	*				82.2	113.9	89.7	0	0	0	0	0	113.2
262	D	29.1	Very low	29.5	Very low	149 Å²	149	134.5 Å²	134.5	80%	0.797	79%	0.789	S	S	*	*			trans	93.8	127.9	144	-86.6	-27.1	0	0	0	124.3
263	T	31.1	Very low	29.3	Very low	116 Å²	116	138.8 Å²	138.8	71%	0.712	80%	0.798	S	S	*	*			trans	79.3	95	146.5	51.3	0	0	0	0	120.3
264	S	26.7	Very low	29.6	Very low	96 Å²	96	137 Å²	137	67%	0.671	79%	0.791	S	S	*	*				55.1	100.9	119.9	65.4	0	0	0	0	119
265	H	33.8	Very low	30.1	Very low	192 Å²	192	132.4 Å²	132.4	89%	0.889	78%	0.781	S	S	*	*				-164.2	105.8	115.6	-104.3	-70	0	0	0	110
266	Q	23.8	Very low	31.6	Very low	142 Å²	142	134.1 Å²	134.1	66%	0.664	78%	0.776	S	S	*	*			trans	-79	148.1	155.7	-82.7	-173	-8.5	0	0	108.3	K268	Q266-K268 HydrophobicContact CB-CG 4.42Å
267	P	29	Very low	33	Very low	121 Å²	121	140.9 Å²	140.9	79%	0.786	78%	0.776	S	S	*	*				-131	110.5	94.2	30.7	-17.4	0	0	0	112.6	R269	P267-R269 PolarHBondContact O-N 2.64Å
268	K	25.4	Very low	34.7	Very low	173 Å²	173	145.3 Å²	145.3	75%	0.752	77%	0.766	S	S	*	*				23.7	95.1	126	-57.6	178.3	-177.8	175.5	0	116.1	Q266	Q266-K268 HydrophobicContact CB-CG 4.42Å
269	R	31.8	Very low	36.6	Very low	249 Å²	249	146.8 Å²	146.8	94%	0.94	75%	0.753	S	S	*	*			trans	-88.5	119.1	144	-85.4	-173.4	171.2	-177.6	-1.8	108.6	P267 R271	P267-R269 PolarHBondContact O-N 2.64Å; R269-R271 PolarHBondContact O-N 2.89Å
270	G	32	Very low	38.9	Very low	78 Å²	78	144.4 Å²	144.4	80%	0.804	73%	0.732	S	S	*	*			trans	-53.9	114.5	-178.2	0	0	0	0	0	112.9
271	R	29.7	Very low	41.2	Very low	206 Å²	206	143.3 Å²	143.3	78%	0.777	72%	0.717	S	S	*	*				9	120.5	127.6	-157.4	163.8	-164	-156.1	7.8	117	R269	R269-R271 PolarHBondContact O-N 2.89Å
272	R	28.9	Very low	43.8	Very low	201 Å²	201	145.1 Å²	145.1	76%	0.758	71%	0.71	S	S	*	*			trans	58.3	121.7	138.8	-76.6	178.5	164.6	173.4	-4.8	118.1
273	R	32.2	Very low	46.4	Very low	228 Å²	228	142.8 Å²	142.8	86%	0.86	70%	0.696	S	S	*	*				137.8	114.5	102	-148.4	167.1	-179	177.7	-1.3	110.3
274	S	39.2	Very low	49	Very low	100 Å²	100	143.3 Å²	143.3	70%	0.699	69%	0.692	S	S	*	*			trans	54	75.5	142.9	-179.1	0	0	0	0	117.6
275	N	40.8	Very low	51.9	Low	117 Å²	117	141.8 Å²	141.8	63%	0.626	69%	0.686	S	S	*	*			trans	-110.9	48.9	158.4	-85.7	-9.8	0	0	0	111.1	R277 W278	N275-R277 PolarHBondContact O-N 3.46Å; N275-W278 PolarHBondContact O-N 3.39Å
276	D	58.1	Low	54.5	Low	100 Å²	100	135.6 Å²	135.6	54%	0.535	67%	0.668	S	S	.	*	H	α-helix	trans	-63.6	-22.4	173.6	-144.4	1.5	0	0	0	111.8	W278 M279 V280	D276-W278 PolarHBondContact O-N 3.32Å; D276-M279 WeakPolarHBondContact OD1-CE 3.29Å; D276-V280 WeakPolarHBondContact O-CG2 3.48Å; D276-V280 PolarHBondContact O-N 3.33Å
277	R	57.1	Low	57.6	Low	222 Å²	222	132.6 Å²	132.6	84%	0.838	66%	0.659	S	S	*	*	H	α-helix	trans	-68	-32.4	174.9	-70.2	-178.9	172.5	161.5	-2.7	113.6	N275 A281	N275-R277 PolarHBondContact O-N 3.46Å; R277-A281 VanDerWaalsContact O-CB 3.3Å; R277-A281 WeakPolarHBondContact O-CB 3.33Å; R277-A281 PolarHBondContact O-N 3.04Å
278	W	62.4	Low	60.5	Low	180 Å²	180	128.8 Å²	128.8	68%	0.682	64%	0.641	S	S	*	*	H	α-helix	trans	-76.8	-33	179.9	-78.8	99.9	0	0	0	112.1	N275 D276 A281 M282	N275-W278 PolarHBondContact O-N 3.39Å; D276-W278 PolarHBondContact O-N 3.32Å; W278-A281 PolarHBondContact O-N 2.85Å; W278-M282 WeakPolarHBondContact O-CB 3.4Å; W278-M282 VanDerWaalsContact O-CG 3.23Å; W278-M282 WeakPolarHBondContact O-CG 3.44Å; W278-M282 PolarHBondContact O-N 3.19Å
279	M	67.9	Low	63.6	Low	111 Å²	111	123.1 Å²	123.1	55%	0.547	63%	0.627	S	S	.	*	H	α-helix	trans	-69.4	-43.6	175.1	-173.1	168.9	56.3	0	0	111.3	D276 A281 M282 I283	D276-M279 WeakPolarHBondContact OD1-CE 3.29Å; M279-A281 VanDerWaalsContact C-N 3.35Å; M279-A281 PolarHBondContact O-N 3.34Å; M279-M282 PolarHBondContact O-N 3.41Å; M279-I283 HydrophobicContact CG-CD1 4.18Å; M279-I283 WeakPolarHBondContact O-CG1 3.05Å; M279-I283 PolarHBondContact O-N 3.43Å
280	V	77.6	Confident	66.3	Low	81 Å²	81	113.8 Å²	113.8	49%	0.491	60%	0.603	S	S	.	*	H	α-helix	trans	-62.8	-41.2	172.8	177.2	0	0	0	0	111.1	D276 M282 I283 M284	D276-V280 WeakPolarHBondContact O-CG2 3.48Å; D276-V280 PolarHBondContact O-N 3.33Å; V280-M282 VanDerWaalsContact C-N 3.34Å; V280-M282 PolarHBondContact O-N 2.98Å; V280-I283 PolarHBondContact O-N 3.22Å; V280-M284 HydrophobicContact CG1-CG 4.12Å; V280-M284 WeakPolarHBondContact O-CB 3.45Å; V280-M284 VanDerWaalsContact O-CG 3.23Å; V280-M284 WeakPolarHBondContact O-CG 3.28Å; V280-M284 PolarHBondContact O-N 3.11Å
281	A	79.5	Confident	69.2	Low	50 Å²	50	113.9 Å²	113.9	41%	0.413	59%	0.588	S	S	.	*	H	α-helix	trans	-61	-40.6	175.7	0	0	0	0	0	112.5	R277 W278 M279 M284 A285	R277-A281 VanDerWaalsContact O-CB 3.3Å; R277-A281 WeakPolarHBondContact O-CB 3.33Å; R277-A281 PolarHBondContact O-N 3.04Å; W278-A281 PolarHBondContact O-N 2.85Å; M279-A281 VanDerWaalsContact C-N 3.35Å; M279-A281 PolarHBondContact O-N 3.34Å; A281-M284 PolarHBondContact O-N 3.14Å; A281-A285 VanDerWaalsContact O-CB 3.29Å; A281-A285 WeakPolarHBondContact O-CB 3.42Å; A281-A285 PolarHBondContact O-N 2.9Å
282	M	83.4	Confident	72.1	Confident	136 Å²	136	106.9 Å²	106.9	67%	0.67	57%	0.574	S	S	*	*	H	α-helix	trans	-66.3	-41.5	176.3	-74.6	-75	-73.2	0	0	112.3	W278 M279 V280 A285 A286	W278-M282 WeakPolarHBondContact O-CB 3.4Å; W278-M282 VanDerWaalsContact O-CG 3.23Å; W278-M282 WeakPolarHBondContact O-CG 3.44Å; W278-M282 PolarHBondContact O-N 3.19Å; M279-M282 PolarHBondContact O-N 3.41Å; V280-M282 VanDerWaalsContact C-N 3.34Å; V280-M282 PolarHBondContact O-N 2.98Å; M282-A285 PolarHBondContact O-N 3.12Å; M282-A286 WeakPolarHBondContact O-CB 3.29Å; M282-A286 PolarHBondContact O-N 3.47Å
283	I	83.9	Confident	75	Confident	99 Å²	99	101 Å²	101	51%	0.508	56%	0.564	S	S	.	*	H	α-helix	trans	-66.6	-44.3	176.6	-66	166.8	0	0	0	110	M279 V280 A285 A286 V287	M279-I283 HydrophobicContact CG-CD1 4.18Å; M279-I283 WeakPolarHBondContact O-CG1 3.05Å; M279-I283 PolarHBondContact O-N 3.43Å; V280-I283 PolarHBondContact O-N 3.22Å; I283-A285 VanDerWaalsContact C-N 3.32Å; I283-A285 PolarHBondContact O-N 3.02Å; I283-A286 PolarHBondContact O-N 3.41Å; I283-V287 HydrophobicContact CG2-CG2 4.21Å; I283-V287 WeakPolarHBondContact O-CB 3.25Å; I283-V287 VanDerWaalsContact O-CG2 3.26Å; I283-V287 WeakPolarHBondContact O-CG2 3.48Å; I283-V287 PolarHBondContact O-N 3.49Å
284	M	86.5	Confident	77.8	Confident	128 Å²	128	96.1 Å²	96.1	63%	0.631	55%	0.554	S	S	*	*	H	α-helix	trans	-63.4	-37.2	176.4	-69.7	-65	-70.6	0	0	112	V280 A281 G288	V280-M284 HydrophobicContact CG1-CG 4.12Å; V280-M284 WeakPolarHBondContact O-CB 3.45Å; V280-M284 VanDerWaalsContact O-CG 3.23Å; V280-M284 WeakPolarHBondContact O-CG 3.28Å; V280-M284 PolarHBondContact O-N 3.11Å; A281-M284 PolarHBondContact O-N 3.14Å; M284-G288 WeakPolarHBondContact O-CA 3.37Å; M284-G288 PolarHBondContact O-N 3.32Å
285	A	87.5	Confident	80.3	Confident	64 Å²	64	95 Å²	95	53%	0.529	54%	0.543	S	S	.	.	H	α-helix	trans	-66.5	-42.5	174.2	0	0	0	0	0	111.9	A281 M282 I283 G288 A289	A281-A285 VanDerWaalsContact O-CB 3.29Å; A281-A285 WeakPolarHBondContact O-CB 3.42Å; A281-A285 PolarHBondContact O-N 2.9Å; M282-A285 PolarHBondContact O-N 3.12Å; I283-A285 VanDerWaalsContact C-N 3.32Å; I283-A285 PolarHBondContact O-N 3.02Å; A285-G288 PolarHBondContact O-N 2.76Å; A285-A289 WeakPolarHBondContact O-CB 3.34Å; A285-A289 PolarHBondContact O-N 3.44Å
286	A	87.4	Confident	82.7	Confident	62 Å²	62	91.7 Å²	91.7	51%	0.512	53%	0.532	S	S	.	.	H	α-helix	trans	-67.4	-43.7	178	0	0	0	0	0	112.2	M282 I283 A289 A290	M282-A286 WeakPolarHBondContact O-CB 3.29Å; M282-A286 PolarHBondContact O-N 3.47Å; I283-A286 PolarHBondContact O-N 3.41Å; A286-A289 PolarHBondContact O-N 2.67Å; A286-A290 WeakPolarHBondContact O-CB 3.46Å; A286-A290 PolarHBondContact O-N 2.82Å
287	V	90.1	Very high	84.1	Confident	78 Å²	78	90 Å²	90	47%	0.473	53%	0.531	S	S	.	.	H	α-helix	trans	-64.7	-42.6	174.4	174.4	0	0	0	0	110	I283 A289 A290 V291	I283-V287 HydrophobicContact CG2-CG2 4.21Å; I283-V287 WeakPolarHBondContact O-CB 3.25Å; I283-V287 VanDerWaalsContact O-CG2 3.26Å; I283-V287 WeakPolarHBondContact O-CG2 3.48Å; I283-V287 PolarHBondContact O-N 3.49Å; V287-A289 PolarHBondContact O-N 2.91Å; V287-A290 PolarHBondContact O-N 2.69Å; V287-V291 HydrophobicContact CG1-CG2 4.25Å; V287-V291 WeakPolarHBondContact O-CB 3.4Å; V287-V291 VanDerWaalsContact O-CG2 3.27Å; V287-V291 WeakPolarHBondContact O-CG2 3.37Å; V287-V291 PolarHBondContact O-N 3.08Å
288	G	88.9	Confident	85.6	Confident	41 Å²	41	82.1 Å²	82.1	42%	0.423	51%	0.514	S	S	.	.	H	α-helix	trans	-58.7	-43.8	174.2	0	0	0	0	0	112.5	M284 A285 A292	M284-G288 WeakPolarHBondContact O-CA 3.37Å; M284-G288 PolarHBondContact O-N 3.32Å; A285-G288 PolarHBondContact O-N 2.76Å; G288-A292 WeakPolarHBondContact O-CB 3.42Å; G288-A292 PolarHBondContact O-N 3.37Å
289	A	89.9	Confident	86.8	Confident	55 Å²	55	78.2 Å²	78.2	46%	0.455	51%	0.506	S	S	.	.	H	α-helix	trans	-66	-40.6	176.2	0	0	0	0	0	112.4	A285 A286 V287 A292 S293	A285-A289 WeakPolarHBondContact O-CB 3.34Å; A285-A289 PolarHBondContact O-N 3.44Å; A286-A289 PolarHBondContact O-N 2.67Å; V287-A289 PolarHBondContact O-N 2.91Å; A289-A292 PolarHBondContact O-N 3.19Å; A289-S293 WeakPolarHBondContact O-CB 3.31Å; A289-S293 PolarHBondContact O-N 3.14Å; A289-S293 PolarHBondContact O-OG 3.15Å
290	A	89.8	Confident	87.5	Confident	53 Å²	53	76.8 Å²	76.8	44%	0.438	51%	0.506	S	S	.	.	H	α-helix	trans	-65.5	-45.1	176.8	0	0	0	0	0	111.6	A286 V287 S293 L294	A286-A290 WeakPolarHBondContact O-CB 3.46Å; A286-A290 PolarHBondContact O-N 2.82Å; V287-A290 PolarHBondContact O-N 2.69Å; A290-S293 WeakPolarHBondContact O-CB 3.43Å; A290-S293 PolarHBondContact O-N 3.01Å; A290-L294 WeakPolarHBondContact O-CG 3.34Å; A290-L294 PolarHBondContact O-N 2.62Å
291	V	93.1	Very high	87.7	Confident	80 Å²	80	74.3 Å²	74.3	49%	0.485	50%	0.497	S	S	.	.	H	α-helix	trans	-65.1	-43.8	176.4	174.6	0	0	0	0	110.6	V287 S293 L294 V295	V287-V291 HydrophobicContact CG1-CG2 4.25Å; V287-V291 WeakPolarHBondContact O-CB 3.4Å; V287-V291 VanDerWaalsContact O-CG2 3.27Å; V287-V291 WeakPolarHBondContact O-CG2 3.37Å; V287-V291 PolarHBondContact O-N 3.08Å; V291-S293 VanDerWaalsContact C-N 3.27Å; V291-S293 PolarHBondContact O-N 2.96Å; V291-L294 PolarHBondContact O-N 3.01Å; V291-V295 HydrophobicContact CG1-CG2 4.18Å; V291-V295 WeakPolarHBondContact O-CB 3.17Å; V291-V295 VanDerWaalsContact O-CG2 3.28Å; V291-V295 WeakPolarHBondContact O-CG2 3.25Å; V291-V295 PolarHBondContact O-N 2.04Å
292	A	90.4	Very high	87.8	Confident	58 Å²	58	75.3 Å²	75.3	48%	0.479	50%	0.497	S	S	.	.	H	α-helix	trans	-60.3	-37.9	175	0	0	0	0	0	111.9	G288 A289 V295 A296	G288-A292 WeakPolarHBondContact O-CB 3.42Å; G288-A292 PolarHBondContact O-N 3.37Å; A289-A292 PolarHBondContact O-N 3.19Å; A292-V295 PolarHBondContact O-N 2.95Å; A292-A296 WeakPolarHBondContact O-CB 3.48Å; A292-A296 PolarHBondContact O-N 3.08Å
293	S	89.1	Confident	87.6	Confident	79 Å²	79	73.5 Å²	73.5	55%	0.552	49%	0.49	S	S	*	.	H	α-helix	trans	-67	-41.3	176.2	-58.5	0	0	0	0	112	A289 A290 V291 A296 A297	A289-S293 WeakPolarHBondContact O-CB 3.31Å; A289-S293 PolarHBondContact O-N 3.14Å; A289-S293 PolarHBondContact O-OG 3.15Å; A290-S293 WeakPolarHBondContact O-CB 3.43Å; A290-S293 PolarHBondContact O-N 3.01Å; V291-S293 VanDerWaalsContact C-N 3.27Å; V291-S293 PolarHBondContact O-N 2.96Å; S293-A296 PolarHBondContact O-N 2.92Å; S293-A297 WeakPolarHBondContact O-CB 3.16Å; S293-A297 PolarHBondContact O-N 3.21Å
294	L	91.5	Very high	87.1	Confident	125 Å²	125	76.5 Å²	76.5	65%	0.654	50%	0.495	S	S	*	.	H	α-helix	trans	-68.3	-40.8	175.7	-73.5	171.9	0	0	0	112	A290 V291 A297 A298	A290-L294 WeakPolarHBondContact O-CG 3.34Å; A290-L294 PolarHBondContact O-N 2.62Å; V291-L294 PolarHBondContact O-N 3.01Å; L294-A297 PolarHBondContact O-N 3.49Å; L294-A298 VanDerWaalsContact O-CB 3.26Å; L294-A298 WeakPolarHBondContact O-CB 3.41Å; L294-A298 PolarHBondContact O-N 3.49Å
295	V	92.1	Very high	86.5	Confident	75 Å²	75	75.8 Å²	75.8	46%	0.455	49%	0.493	S	S	.	.	H	α-helix	trans	-66.5	-40.9	175	172.5	0	0	0	0	110.3	V291 A292 A298 L299	V291-V295 HydrophobicContact CG1-CG2 4.18Å; V291-V295 WeakPolarHBondContact O-CB 3.17Å; V291-V295 VanDerWaalsContact O-CG2 3.28Å; V291-V295 WeakPolarHBondContact O-CG2 3.25Å; V291-V295 PolarHBondContact O-N 2.04Å; A292-V295 PolarHBondContact O-N 2.95Å; V295-A298 PolarHBondContact O-N 3Å; V295-L299 HydrophobicContact CG1-CD1 3.73Å; V295-L299 HydrophobicContact CG1-CG 4.19Å; V295-L299 WeakPolarHBondContact O-CB 3.37Å; V295-L299 VanDerWaalsContact O-CG 3.25Å; V295-L299 WeakPolarHBondContact O-CG 3.08Å; V295-L299 PolarHBondContact O-N 3.17Å
296	A	89.7	Confident	85.4	Confident	49 Å²	49	80.2 Å²	80.2	41%	0.405	50%	0.501	S	S	.	.	H	α-helix	trans	-63.6	-41.9	173.4	0	0	0	0	0	111.5	A292 S293 L299 C300	A292-A296 WeakPolarHBondContact O-CB 3.48Å; A292-A296 PolarHBondContact O-N 3.08Å; S293-A296 PolarHBondContact O-N 2.92Å; A296-L299 PolarHBondContact O-N 3.03Å; A296-C300 WeakPolarHBondContact O-CB 3.38Å; A296-C300 PolarHBondContact O-N 3.34Å; A296-C300 PolarHBondContact O-SG 3.34Å
297	A	87.7	Confident	83.6	Confident	63 Å²	63	84 Å²	84	52%	0.521	51%	0.512	S	S	.	.	H	α-helix	trans	-65.6	-40.3	175.1	0	0	0	0	0	112.1	S293 L294 C300 G301	S293-A297 WeakPolarHBondContact O-CB 3.16Å; S293-A297 PolarHBondContact O-N 3.21Å; L294-A297 PolarHBondContact O-N 3.49Å; A297-C300 PolarHBondContact O-N 3.19Å; A297-G301 PolarHBondContact O-N 3.04Å
298	A	88.6	Confident	81.3	Confident	57 Å²	57	85.7 Å²	85.7	47%	0.471	51%	0.513	S	S	.	.	H	α-helix	trans	-69.1	-41.7	175.9	0	0	0	0	0	111.7	L294 V295 G301 V302	L294-A298 VanDerWaalsContact O-CB 3.26Å; L294-A298 WeakPolarHBondContact O-CB 3.41Å; L294-A298 PolarHBondContact O-N 3.49Å; V295-A298 PolarHBondContact O-N 3Å; A298-G301 CarbonylContact O-C 3.54Å; A298-G301 PolarHBondContact O-N 3.17Å; A298-V302 WeakPolarHBondContact O-CB 3.41Å; A298-V302 VanDerWaalsContact O-CG2 3.26Å; A298-V302 WeakPolarHBondContact O-CG2 3.39Å; A298-V302 PolarHBondContact O-N 3.25Å
299	L	88.6	Confident	78.7	Confident	98 Å²	98	91.8 Å²	91.8	51%	0.513	53%	0.528	S	S	.	.	H	α-helix	trans	-65.6	-42.4	173.3	-76.9	169.8	0	0	0	110.7	V295 A296 G301 V302 L303	V295-L299 HydrophobicContact CG1-CD1 3.73Å; V295-L299 HydrophobicContact CG1-CG 4.19Å; V295-L299 WeakPolarHBondContact O-CB 3.37Å; V295-L299 VanDerWaalsContact O-CG 3.25Å; V295-L299 WeakPolarHBondContact O-CG 3.08Å; V295-L299 PolarHBondContact O-N 3.17Å; A296-L299 PolarHBondContact O-N 3.03Å; L299-G301 VanDerWaalsContact C-N 3.3Å; L299-G301 PolarHBondContact O-N 3.07Å; L299-V302 PolarHBondContact O-N 2.91Å; L299-L303 WeakPolarHBondContact O-CA 3.45Å; L299-L303 WeakPolarHBondContact O-CB 3.34Å; L299-L303 WeakPolarHBondContact O-CG 3.38Å; L299-L303 PolarHBondContact O-N 3.31Å
300	C	82.1	Confident	76.3	Confident	82 Å²	82	94.5 Å²	94.5	55%	0.554	54%	0.541	S	S	*	.	H	α-helix	trans	-60.8	-40.4	170.9	-77.8	0	0	0	0	110.9	A296 A297 W304	A296-C300 WeakPolarHBondContact O-CB 3.38Å; A296-C300 PolarHBondContact O-N 3.34Å; A296-C300 PolarHBondContact O-SG 3.34Å; A297-C300 PolarHBondContact O-N 3.19Å; C300-W304 WeakPolarHBondContact O-CA 3.28Å; C300-W304 WeakPolarHBondContact O-CB 3.49Å; C300-W304 PolarHBondContact O-N 3.14Å
301	G	82.6	Confident	73.6	Confident	28 Å²	28	99.9 Å²	99.9	29%	0.289	56%	0.557	S	S	.	*	H	α-helix	trans	-64.9	-44.1	174.9	0	0	0	0	0	112.6	A297 A298 L299 W304 L305	A297-G301 PolarHBondContact O-N 3.04Å; A298-G301 CarbonylContact O-C 3.54Å; A298-G301 PolarHBondContact O-N 3.17Å; L299-G301 VanDerWaalsContact C-N 3.3Å; L299-G301 PolarHBondContact O-N 3.07Å; G301-W304 CarbonylContact O-C 3.6Å; G301-W304 PolarHBondContact O-N 3.46Å; G301-L305 VanDerWaalsContact O-CB 3.31Å; G301-L305 WeakPolarHBondContact O-CB 3.48Å; G301-L305 WeakPolarHBondContact O-CD1 3.36Å; G301-L305 WeakPolarHBondContact O-CG 3.34Å; G301-L305 PolarHBondContact O-N 2.95Å
302	V	81.9	Confident	70.8	Confident	71 Å²	71	106.5 Å²	106.5	43%	0.43	57%	0.573	S	S	.	*	H	α-helix	trans	-70.7	-38.1	177	171.7	0	0	0	0	111.2	A298 L299 W304 L305 K306	A298-V302 WeakPolarHBondContact O-CB 3.41Å; A298-V302 VanDerWaalsContact O-CG2 3.26Å; A298-V302 WeakPolarHBondContact O-CG2 3.39Å; A298-V302 PolarHBondContact O-N 3.25Å; L299-V302 PolarHBondContact O-N 2.91Å; V302-W304 VanDerWaalsContact C-N 3.34Å; V302-L305 CarbonylContact O-C 3.54Å; V302-L305 PolarHBondContact O-N 3.45Å; V302-K306 HydrophobicContact CG1-CD 4.26Å; V302-K306 HydrophobicContact CG1-CG 4.42Å; V302-K306 VanDerWaalsContact O-CB 3.26Å; V302-K306 WeakPolarHBondContact O-CB 3.16Å; V302-K306 WeakPolarHBondContact O-CG 3.2Å; V302-K306 PolarHBondContact O-N 3.09Å
303	L	77.7	Confident	68.2	Low	99 Å²	99	109.4 Å²	109.4	52%	0.518	59%	0.588	S	S	.	*	H	α-helix	trans	-69	-34.8	172.9	-72.4	173.1	0	0	0	110.6	L299 K306 N307	L299-L303 WeakPolarHBondContact O-CA 3.45Å; L299-L303 WeakPolarHBondContact O-CB 3.34Å; L299-L303 WeakPolarHBondContact O-CG 3.38Å; L299-L303 PolarHBondContact O-N 3.31Å; L303-K306 PolarHBondContact O-N 2.96Å; L303-N307 WeakPolarHBondContact O-CA 3.28Å; L303-N307 WeakPolarHBondContact O-CB 3.46Å; L303-N307 PolarHBondContact O-N 3.05Å
304	W	74.9	Confident	65.4	Low	161 Å²	161	116.2 Å²	116.2	61%	0.61	60%	0.601	S	S	*	*	H	α-helix	trans	-69.7	-36.5	172.2	-167.9	78.3	0	0	0	111.3	C300 G301 V302 K308	C300-W304 WeakPolarHBondContact O-CA 3.28Å; C300-W304 WeakPolarHBondContact O-CB 3.49Å; C300-W304 PolarHBondContact O-N 3.14Å; G301-W304 CarbonylContact O-C 3.6Å; G301-W304 PolarHBondContact O-N 3.46Å; V302-W304 VanDerWaalsContact C-N 3.34Å; W304-K308 HydrophobicContact CE3-CD 4.29Å; W304-K308 HydrophobicContact CH2-CD 4.49Å; W304-K308 HydrophobicContact CZ3-CD 4.21Å; W304-K308 WeakPolarHBondContact O-CB 3.1Å; W304-K308 WeakPolarHBondContact O-CG 3.21Å; W304-K308 PolarHBondContact O-N 3.26Å
305	L	73.3	Confident	62.8	Low	113 Å²	113	115 Å²	115	59%	0.592	61%	0.609	S	S	*	*	H	α-helix	trans	-73.5	-32	173.1	-72.4	162.9	0	0	0	112.7	G301 V302 K308	G301-L305 VanDerWaalsContact O-CB 3.31Å; G301-L305 WeakPolarHBondContact O-CB 3.48Å; G301-L305 WeakPolarHBondContact O-CD1 3.36Å; G301-L305 WeakPolarHBondContact O-CG 3.34Å; G301-L305 PolarHBondContact O-N 2.95Å; V302-L305 CarbonylContact O-C 3.54Å; V302-L305 PolarHBondContact O-N 3.45Å; L305-K308 WeakPolarHBondContact O-CB 3.45Å
306	K	63.1	Low	60.2	Low	157 Å²	157	115.9 Å²	115.9	68%	0.683	62%	0.619	S	S	*	*	H	α-helix	trans	-80.3	-32.6	174.1	-80.4	-174.8	171.2	-177.2	0	112.5	V302 L303 K308	V302-K306 HydrophobicContact CG1-CD 4.26Å; V302-K306 HydrophobicContact CG1-CG 4.42Å; V302-K306 VanDerWaalsContact O-CB 3.26Å; V302-K306 WeakPolarHBondContact O-CB 3.16Å; V302-K306 WeakPolarHBondContact O-CG 3.2Å; V302-K306 PolarHBondContact O-N 3.09Å; L303-K306 PolarHBondContact O-N 2.96Å; K306-K308 VanDerWaalsContact C-N 3.33Å
307	N	49.6	Very low	57.9	Low	141 Å²	141	118.7 Å²	118.7	75%	0.754	64%	0.636	S	S	*	*	H	α-helix	trans	-80.8	-14	170.1	-85.4	-2.5	0	0	0	112.7	L303 K309	L303-N307 WeakPolarHBondContact O-CA 3.28Å; L303-N307 WeakPolarHBondContact O-CB 3.46Å; L303-N307 PolarHBondContact O-N 3.05Å; N307-K309 PolarHBondContact O-N 3.48Å
308	K	43.7	Very low	55.6	Low	114 Å²	114	125.5 Å²	125.5	50%	0.496	65%	0.648	S	S	.	*			trans	-68.5	66.9	148.6	-80.2	-177.8	173.5	-175.1	0	108.5	W304 L305 K306	W304-K308 HydrophobicContact CE3-CD 4.29Å; W304-K308 HydrophobicContact CH2-CD 4.49Å; W304-K308 HydrophobicContact CZ3-CD 4.21Å; W304-K308 WeakPolarHBondContact O-CB 3.1Å; W304-K308 WeakPolarHBondContact O-CG 3.21Å; W304-K308 PolarHBondContact O-N 3.26Å; L305-K308 WeakPolarHBondContact O-CB 3.45Å; K306-K308 VanDerWaalsContact C-N 3.33Å
309	K	34.4	Very low	53.3	Low	170 Å²	170	129.9 Å²	129.9	74%	0.739	67%	0.669	S	S	*	*			trans	-48.5	129.9	142.6	-79.2	-177.9	177.5	178	0	104.8	N307 E311	N307-K309 PolarHBondContact O-N 3.48Å; K309-E311 VanDerWaalsContact C-N 3.26Å; K309-E311 PolarHBondContact O-N 2.93Å
310	P	38.3	Very low	51.3	Low	112 Å²	112	128.8 Å²	128.8	73%	0.727	67%	0.669	S	S	*	*			trans	-56.8	106.8	165.8	24.5	-29.9	0	0	0	104.7	R312	P310-R312 PolarHBondContact O-N 3.39Å
311	E	34	Very low	49.7	Very low	166 Å²	166	129.4 Å²	129.4	78%	0.776	68%	0.675	S	S	*	*			trans	-62.4	84.3	155.4	-77.9	-165.8	146.6	0	0	104.2	K309	K309-E311 VanDerWaalsContact C-N 3.26Å; K309-E311 PolarHBondContact O-N 2.93Å
312	R	34.1	Very low	48.1	Very low	218 Å²	218	136.3 Å²	136.3	82%	0.823	70%	0.701	S	S	*	*			trans	-47.6	121.4	144.5	-75.3	-178.5	174.6	-178.1	-2	103.5	P310 R314	P310-R312 PolarHBondContact O-N 3.39Å; R312-R314 PolarHBondContact O-N 3.17Å
313	P	36.1	Very low	46.8	Very low	120 Å²	120	135.7 Å²	135.7	78%	0.779	70%	0.704	S	S	*	*			trans	-51.5	117.9	-177.2	19.5	-29.8	0	0	0	105.8	A315	P313-A315 VanDerWaalsContact C-N 3.31Å; P313-A315 PolarHBondContact O-N 2.95Å
314	R	30.4	Very low	46.7	Very low	221 Å²	221	141.8 Å²	141.8	83%	0.834	72%	0.72	S	S	*	*			trans	-54.1	111.8	166.8	-88.8	-179.6	169.1	124.4	-8	103.6	R312 S316	R312-R314 PolarHBondContact O-N 3.17Å; R314-S316 PolarHBondContact O-N 2.92Å
315	A	35.6	Very low	47.3	Very low	100 Å²	100	140.4 Å²	140.4	83%	0.826	72%	0.721	S	S	*	*			trans	-63.3	71.3	158.5	0	0	0	0	0	106.2	P313 S317	P313-A315 VanDerWaalsContact C-N 3.31Å; P313-A315 PolarHBondContact O-N 2.95Å; A315-S317 PolarHBondContact O-N 3.41Å
316	S	38.6	Very low	48	Very low	94 Å²	94	137.4 Å²	137.4	66%	0.657	70%	0.703	S	S	*	*			trans	-69.2	90.1	157.6	159.7	0	0	0	0	103.7	R314 R318	R314-S316 PolarHBondContact O-N 2.92Å; S316-R318 PolarHBondContact O-N 2.92Å
317	S	41.7	Very low	49.3	Very low	108 Å²	108	132.4 Å²	132.4	76%	0.755	69%	0.686	S	S	*	*	S	Bend	trans	-50.6	84.7	162.6	57.2	0	0	0	0	109	A315	A315-S317 PolarHBondContact O-N 3.41Å
318	R	37.5	Very low	51.3	Low	205 Å²	205	127 Å²	127	77%	0.774	66%	0.658	S	S	*	*			trans	-160.7	65.8	156.6	-99.9	172	82.8	130.2	6	105.8	S316 S320	S316-R318 PolarHBondContact O-N 2.92Å; R318-S320 PolarHBondContact O-N 2.64Å
319	T	41.4	Very low	53.5	Low	149 Å²	149	127.6 Å²	127.6	91%	0.914	66%	0.658	S	S	*	*			trans	-59.5	74.9	155.8	45.7	0	0	0	0	108.4
320	S	46.2	Very low	56.1	Low	75 Å²	75	120.9 Å²	120.9	52%	0.524	63%	0.628	S	S	.	*			trans	-108.9	89	163.1	76	0	0	0	0	107.5	R318	R318-S320 PolarHBondContact O-N 2.64Å
321	S	48.3	Very low	57.9	Low	96 Å²	96	121.9 Å²	121.9	67%	0.671	63%	0.628	S	S	*	*			trans	37.3	86.2	164.2	61.6	0	0	0	0	115.9	A323 R398	S321-A323 PolarHBondContact O-N 2.83Å; S321-R398 PolarHBondContact O-NH2 2.89Å
322	M	49.5	Very low	59.5	Low	172 Å²	172	116.7 Å²	116.7	85%	0.847	62%	0.618	S	S	*	*			trans	-52.1	136	143.9	-79.5	-176.1	174.1	0	0	107.5	R324	M322-R324 PolarHBondContact O-N 3.45Å
323	A	55.6	Low	61	Low	59 Å²	59	108 Å²	108	49%	0.488	59%	0.591	S	S	.	*			trans	-50	115.3	-171.1	0	0	0	0	0	110	S321 E325	S321-A323 PolarHBondContact O-N 2.83Å; A323-E325 PolarHBondContact O-N 3.17Å
324	R	75.2	Confident	61.9	Low	227 Å²	227	107 Å²	107	86%	0.857	59%	0.585	S	S	*	*			trans	-45.9	136.7	174.2	-164.9	170.4	163.4	151.1	-3.4	108.8	M322 E326	M322-R324 PolarHBondContact O-N 3.45Å; R324-E326 PolarHBondContact O-N 2.97Å
325	E	86.1	Confident	63.3	Low	132 Å²	132	99.5 Å²	99.5	62%	0.617	56%	0.564	S	S	*	*			trans	-50.7	137.3	168.6	-67.5	-177.8	-166.4	0	0	109.2	A323 Y426	A323-E325 PolarHBondContact O-N 3.17Å; E325-Y426 HydrophobicContact CB-CE2 4Å; E325-Y426 HydrophobicContact CG-CE2 4.34Å; E325-Y426 PolarHBondContact OE1-OH 2.85Å; E325-Y426 PolarHBondContact OE2-OH 2.67Å
326	E	89.2	Confident	64.4	Low	49 Å²	49	102.6 Å²	102.6	23%	0.229	56%	0.561	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-133	125.9	-174.2	-169.9	-173.8	-175.7	0	0	109	R324 V328 R405 R409 Y426 A427	R324-E326 PolarHBondContact O-N 2.97Å; E326-V328 HydrophobicContact CG-CG2 3.86Å; E326-V328 WeakPolarHBondContact OE1-CG2 3.24Å; E326-R405 IonicContact OE2-NH1 2.78Å; E326-R405 PolarHBondContact OE2-NH1 2.8Å; E326-R409 VanDerWaalsContact CD-NH2 3.27Å; E326-R409 IonicContact OE1-CZ 2.76Å; E326-R409 IonicContact OE1-NE 3.07Å; E326-R409 PolarHBondContact OE1-NE 3.14Å; E326-R409 IonicContact OE1-NH2 2.96Å; E326-R409 PolarHBondContact OE1-NH2 3.04Å; E326-R409 IonicContact OE2-NH2 3.67Å; E326-R409 PolarHBondContact OE2-NH2 3.23Å; E326-Y426 CarbonylContact O-C 3.52Å; E326-Y426 WeakPolarHBondContact O-CA 3.48Å; E326-A427 PolarHBondContact N-O 3.43Å; E326-A427 VanDerWaalsContact N-O 3.07Å; E326-A427 PolarHBondContact O-N 2.85Å
327	T	90	Very high	65.5	Low	52 Å²	52	98.6 Å²	98.6	32%	0.319	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119.2	169.5	-59.2	0	0	0	0	107.1	R329 F337 F425 Y426	T327-R329 HydrophobicContact CG2-CG 4.42Å; T327-F337 HydrophobicContact CG2-CD1 3.51Å; T327-F337 HydrophobicContact CG2-CE1 3.84Å; T327-F425 WeakPolarHBondContact CA-O 3.38Å; T327-Y426 WeakPolarHBondContact OG1-CD2 3.44Å
328	V	91.2	Very high	66.8	Low	29 Å²	29	96.5 Å²	96.5	18%	0.176	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.3	174.5	-178.6	0	0	0	0	108.1	E326 F330 A424 F425	E326-V328 HydrophobicContact CG-CG2 3.86Å; E326-V328 WeakPolarHBondContact OE1-CG2 3.24Å; V328-F330 HydrophobicContact CG1-CE1 4.02Å; V328-F330 HydrophobicContact CG1-CE2 4.36Å; V328-F330 HydrophobicContact CG1-CZ 3.86Å; V328-A424 CarbonylContact O-C 3.4Å; V328-A424 WeakPolarHBondContact O-CA 3.47Å; V328-A424 WeakPolarHBondContact O-CB 3.42Å; V328-F425 HydrophobicContact CB-CD1 3.92Å; V328-F425 HydrophobicContact CB-CE1 3.43Å; V328-F425 VanDerWaalsContact CB-CE1 3.43Å; V328-F425 HydrophobicContact CB-CE2 4.25Å; V328-F425 HydrophobicContact CB-CZ 3.61Å; V328-F425 HydrophobicContact CG1-CE1 3.94Å; V328-F425 HydrophobicContact CG1-CZ 4.41Å; V328-F425 HydrophobicContact CG2-CE1 3.68Å; V328-F425 HydrophobicContact CG2-CE2 3.91Å; V328-F425 HydrophobicContact CG2-CZ 3.3Å; V328-F425 PolarHBondContact N-O 3.05Å; V328-F425 PolarHBondContact O-N 3.21Å
329	R	89.2	Confident	68.4	Low	126 Å²	126	87.8 Å²	87.8	48%	0.475	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	145.8	177.5	-55.2	-176.5	-169	105.3	-3.1	108.5	T327 C333 F337 A424	T327-R329 HydrophobicContact CG2-CG 4.42Å; R329-C333 HydrophobicContact CB-CB 4.49Å; R329-F337 HydrophobicContact CG-CB 4.5Å; R329-F337 PolarHBondContact NE-O 2.89Å; R329-F337 PolarHBondContact NH2-O 3.21Å; R329-A424 HydrophobicContact CG-CB 4.37Å
330	F	90.2	Very high	69.8	Low	29 Å²	29	83.7 Å²	83.7	13%	0.127	46%	0.459	C	S	.	.			trans	-116.6	163.6	174.2	-50.1	-85.1	0	0	0	108.9	V328 C333 A408 R409 L422 R423 F425	V328-F330 HydrophobicContact CG1-CE1 4.02Å; V328-F330 HydrophobicContact CG1-CE2 4.36Å; V328-F330 HydrophobicContact CG1-CZ 3.86Å; F330-C333 PolarHBondContact O-N 3.29Å; F330-A408 WeakPolarHBondContact CZ-O 3.32Å; F330-R409 WeakPolarHBondContact CE1-O 3.33Å; F330-L422 HydrophobicContact CD2-CG 4.49Å; F330-L422 HydrophobicContact CE2-CD2 3.89Å; F330-L422 HydrophobicContact CE2-CG 4.2Å; F330-R423 PolarHBondContact N-O 3.17Å; F330-F425 AromaticContact CE2-CD1 3.9Å; F330-F425 HydrophobicContact CE2-CD1 3.9Å; F330-F425 HydrophobicContact CE2-CE1 4.36Å; F330-F425 AromaticContact CZ-CD1 3.92Å; F330-F425 HydrophobicContact CZ-CD1 3.92Å; F330-F425 AromaticContact CZ-CE1 3.93Å; F330-F425 HydrophobicContact CZ-CE1 3.93Å
331	D	75.4	Confident	71	Confident	133 Å²	133	82.4 Å²	82.4	71%	0.711	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	141.9	177.4	-58.5	-32.3	0	0	0	113.2	R415	D331-R415 PolarHBondContact O-NH1 3.12Å; D331-R415 VanDerWaalsContact O-NH1 3.12Å; D331-R415 PolarHBondContact O-NH2 3.4Å
332	G	67.3	Low	72.3	Confident	56 Å²	56	78.1 Å²	78.1	58%	0.577	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.1	6.9	-175.8	0	0	0	0	0	115.5	C334	G332-C334 PolarHBondContact O-N 3.47Å; G332-C334 PolarHBondContact O-SG 2.87Å
333	C	65.5	Low	73.5	Confident	36 Å²	36	75.5 Å²	75.5	24%	0.243	40%	0.404	C	S	.	.			trans	-78.9	93.4	167.9	-166	0	0	0	0	109.4	R329 F330 V335	R329-C333 HydrophobicContact CB-CB 4.49Å; F330-C333 PolarHBondContact O-N 3.29Å; C333-V335 VanDerWaalsContact C-N 3.31Å; C333-V335 PolarHBondContact O-N 3.3Å; C333-V335 PolarHBondContact SG-O 2.79Å
334	C	56.8	Low	74.3	Confident	99 Å²	99	81.9 Å²	81.9	67%	0.669	42%	0.416	S	S	*	.			trans	-68.3	-28.4	-172.4	-38.7	0	0	0	0	113.7	G332 E383	G332-C334 PolarHBondContact O-N 3.47Å; G332-C334 PolarHBondContact O-SG 2.87Å; C334-E383 PolarHBondContact SG-OE1 3.05Å
335	V	59.5	Low	73.9	Confident	64 Å²	64	71.9 Å²	71.9	39%	0.388	38%	0.384	S	S	.	.	S	Bend	trans	-109.9	143.1	-178.1	-179	0	0	0	0	108.3	C333 F337 E383	C333-V335 VanDerWaalsContact C-N 3.31Å; C333-V335 PolarHBondContact O-N 3.3Å; C333-V335 PolarHBondContact SG-O 2.79Å; V335-F337 VanDerWaalsContact C-N 3.27Å; V335-F337 PolarHBondContact O-N 3.28Å; V335-E383 WeakPolarHBondContact CG2-OE2 3.46Å
336	E	58.2	Low	73	Confident	165 Å²	165	69.5 Å²	69.5	77%	0.771	39%	0.386	S	S	*	.			trans	-52.7	100.8	162.9	-84.6	-162.5	144.1	0	0	107.6	D338	E336-D338 PolarHBondContact O-N 3.18Å
337	F	61.5	Low	72.6	Confident	9 Å²	9	70.2 Å²	70.2	4%	0.039	40%	0.401	C	S	.	.			trans	-68.4	89.3	174.5	176.4	-96.3	0	0	0	107.3	T327 R329 V335 V339 L342 A424 V435	T327-F337 HydrophobicContact CG2-CD1 3.51Å; T327-F337 HydrophobicContact CG2-CE1 3.84Å; R329-F337 HydrophobicContact CG-CB 4.5Å; R329-F337 PolarHBondContact NE-O 2.89Å; R329-F337 PolarHBondContact NH2-O 3.21Å; V335-F337 VanDerWaalsContact C-N 3.27Å; V335-F337 PolarHBondContact O-N 3.28Å; F337-V339 HydrophobicContact CE1-CG2 3.73Å; F337-V339 HydrophobicContact CZ-CG2 4.25Å; F337-L342 HydrophobicContact CE2-CB 3.71Å; F337-L342 HydrophobicContact CE2-CD1 3.71Å; F337-L342 HydrophobicContact CE2-CD2 3.49Å; F337-L342 VanDerWaalsContact CE2-CD2 3.49Å; F337-L342 HydrophobicContact CE2-CG 3.78Å; F337-L342 HydrophobicContact CZ-CB 4.07Å; F337-L342 HydrophobicContact CZ-CD2 3.48Å; F337-L342 VanDerWaalsContact CZ-CD2 3.48Å; F337-L342 HydrophobicContact CZ-CG 4.19Å; F337-A424 HydrophobicContact CD1-CB 4.07Å; F337-A424 HydrophobicContact CE1-CB 4.47Å; F337-A424 HydrophobicContact CG-CB 4.17Å; F337-V435 HydrophobicContact CD2-CG2 4.31Å; F337-V435 HydrophobicContact CE1-CG2 4.48Å; F337-V435 HydrophobicContact CE2-CB 4.47Å; F337-V435 HydrophobicContact CE2-CG1 4.36Å; F337-V435 HydrophobicContact CE2-CG2 3.5Å; F337-V435 HydrophobicContact CZ-CG2 3.61Å
338	D	69.2	Low	72.4	Confident	65 Å²	65	73 Å²	73	35%	0.348	41%	0.41	S	S	.	.			trans	-86.3	125.8	161.4	177.5	15.6	0	0	0	107.5	E336 C340 T341 L342	E336-D338 PolarHBondContact O-N 3.18Å; D338-C340 PolarHBondContact O-N 2.89Å; D338-C340 PolarHBondContact OD1-N 3.29Å; D338-C340 PolarHBondContact OD1-SG 3.08Å; D338-C340 VanDerWaalsContact OD2-CB 3.29Å; D338-C340 WeakPolarHBondContact OD2-CB 3.41Å; D338-T341 WeakPolarHBondContact O-CA 3.44Å; D338-T341 WeakPolarHBondContact O-CB 3.48Å; D338-T341 PolarHBondContact O-N 3.39Å; D338-L342 PolarHBondContact O-N 3.2Å
339	V	71.2	Confident	72	Confident	21 Å²	21	77 Å²	77	13%	0.127	43%	0.428	C	S	.	.	H	α-helix	trans	-58.8	-33.6	176.4	177.9	0	0	0	0	109.8	F337 L342 M343 Y426	F337-V339 HydrophobicContact CE1-CG2 3.73Å; F337-V339 HydrophobicContact CZ-CG2 4.25Å; V339-L342 WeakPolarHBondContact O-CB 3.37Å; V339-L342 PolarHBondContact O-N 3.45Å; V339-M343 HydrophobicContact CG1-CG 4.2Å; V339-M343 WeakPolarHBondContact O-CB 3.18Å; V339-M343 WeakPolarHBondContact O-CG 3.02Å; V339-M343 PolarHBondContact O-N 3.39Å; V339-Y426 HydrophobicContact CB-CD2 4.41Å; V339-Y426 HydrophobicContact CG1-CD1 4.17Å; V339-Y426 HydrophobicContact CG1-CD2 4.34Å; V339-Y426 HydrophobicContact CG1-CE1 4.21Å; V339-Y426 HydrophobicContact CG1-CE2 4.33Å; V339-Y426 HydrophobicContact CG1-CG 4.2Å; V339-Y426 HydrophobicContact CG2-CD1 4.41Å; V339-Y426 HydrophobicContact CG2-CD2 3.39Å; V339-Y426 HydrophobicContact CG2-CE2 3.92Å; V339-Y426 HydrophobicContact CG2-CG 3.62Å
340	C	69.8	Low	71.6	Confident	63 Å²	63	75.2 Å²	75.2	43%	0.426	43%	0.428	S	S	.	.	H	α-helix	trans	-63.9	-43.5	175.5	-49.5	0	0	0	0	110.9	D338 L342 M343 R344	D338-C340 PolarHBondContact O-N 2.89Å; D338-C340 PolarHBondContact OD1-N 3.29Å; D338-C340 PolarHBondContact OD1-SG 3.08Å; D338-C340 VanDerWaalsContact OD2-CB 3.29Å; D338-C340 WeakPolarHBondContact OD2-CB 3.41Å; C340-L342 VanDerWaalsContact C-N 3.32Å; C340-L342 PolarHBondContact O-N 3.11Å; C340-M343 PolarHBondContact O-N 3.26Å; C340-R344 WeakPolarHBondContact O-CB 3.45Å; C340-R344 VanDerWaalsContact O-CG 3.23Å; C340-R344 WeakPolarHBondContact O-CG 3.29Å; C340-R344 PolarHBondContact O-N 3.28Å
341	T	72.3	Confident	71.3	Confident	48 Å²	48	75.2 Å²	75.2	29%	0.294	44%	0.436	S	S	.	.	H	α-helix	trans	-61.4	-40.3	172.8	-54.6	0	0	0	0	111.6	D338 M343 R344 G345 M363	D338-T341 WeakPolarHBondContact O-CA 3.44Å; D338-T341 WeakPolarHBondContact O-CB 3.48Å; D338-T341 PolarHBondContact O-N 3.39Å; T341-M343 VanDerWaalsContact C-N 3.34Å; T341-M343 PolarHBondContact O-N 3.24Å; T341-R344 PolarHBondContact O-N 3.3Å; T341-G345 PolarHBondContact O-N 2.99Å; T341-M363 HydrophobicContact CG2-CE 3.7Å; T341-M363 HydrophobicContact CG2-SD 4.27Å
342	L	75.9	Confident	71.7	Confident	7 Å²	7	77.1 Å²	77.1	4%	0.037	44%	0.438	C	S	.	.	H	α-helix	trans	-60.4	-44.1	175.4	-170.2	71.2	0	0	0	112.3	F337 D338 V339 C340 R344 G345 V361 M363 V385 V387 L433 V435	F337-L342 HydrophobicContact CE2-CB 3.71Å; F337-L342 HydrophobicContact CE2-CD1 3.71Å; F337-L342 HydrophobicContact CE2-CD2 3.49Å; F337-L342 VanDerWaalsContact CE2-CD2 3.49Å; F337-L342 HydrophobicContact CE2-CG 3.78Å; F337-L342 HydrophobicContact CZ-CB 4.07Å; F337-L342 HydrophobicContact CZ-CD2 3.48Å; F337-L342 VanDerWaalsContact CZ-CD2 3.48Å; F337-L342 HydrophobicContact CZ-CG 4.19Å; D338-L342 PolarHBondContact O-N 3.2Å; V339-L342 WeakPolarHBondContact O-CB 3.37Å; V339-L342 PolarHBondContact O-N 3.45Å; C340-L342 VanDerWaalsContact C-N 3.32Å; C340-L342 PolarHBondContact O-N 3.11Å; L342-R344 VanDerWaalsContact C-N 3.32Å; L342-G345 PolarHBondContact O-N 2.86Å; L342-V361 HydrophobicContact CD1-CB 4.34Å; L342-V361 HydrophobicContact CD1-CG1 4.1Å; L342-M363 WeakPolarHBondContact CA-SD 3.26Å; L342-M363 HydrophobicContact CB-CE 4.04Å; L342-M363 HydrophobicContact CB-SD 4.28Å; L342-M363 HydrophobicContact CD1-CE 3.98Å; L342-M363 HydrophobicContact CD1-CG 4.46Å; L342-M363 HydrophobicContact CD1-SD 3.72Å; L342-V385 HydrophobicContact CD1-CG2 4.07Å; L342-V387 HydrophobicContact CD1-CG2 3.53Å; L342-V387 HydrophobicContact CD2-CG1 4.02Å; L342-V387 HydrophobicContact CD2-CG2 3.74Å; L342-V387 HydrophobicContact CG-CG2 4Å; L342-L433 HydrophobicContact CD2-CD1 4.23Å; L342-V435 HydrophobicContact CD2-CG2 4.27Å
343	M	73.7	Confident	72.2	Confident	116 Å²	116	76.7 Å²	76.7	57%	0.571	43%	0.433	S	S	*	.	H	α-helix	trans	-75.9	-20.4	-179.1	-65.3	-62.9	-68.3	0	0	112.9	V339 C340 T341 L433	V339-M343 HydrophobicContact CG1-CG 4.2Å; V339-M343 WeakPolarHBondContact O-CB 3.18Å; V339-M343 WeakPolarHBondContact O-CG 3.02Å; V339-M343 PolarHBondContact O-N 3.39Å; C340-M343 PolarHBondContact O-N 3.26Å; T341-M343 VanDerWaalsContact C-N 3.34Å; T341-M343 PolarHBondContact O-N 3.24Å; M343-L433 HydrophobicContact SD-CD1 4.46Å
344	R	72.1	Confident	72.9	Confident	193 Å²	193	80 Å²	80	73%	0.728	46%	0.463	S	S	*	.	H	α-helix	trans	-83.2	-25.6	173.3	-74.5	173.9	-170.3	146.1	1.2	113.2	C340 T341 L342	C340-R344 WeakPolarHBondContact O-CB 3.45Å; C340-R344 VanDerWaalsContact O-CG 3.23Å; C340-R344 WeakPolarHBondContact O-CG 3.29Å; C340-R344 PolarHBondContact O-N 3.28Å; T341-R344 PolarHBondContact O-N 3.3Å; L342-R344 VanDerWaalsContact C-N 3.32Å
345	G	67.6	Low	74.1	Confident	18 Å²	18	76.6 Å²	76.6	19%	0.186	44%	0.439	C	S	.	.	S	Bend	trans	-59.8	147.5	179.9	0	0	0	0	0	112.7	T341 L342 A347 A362	T341-G345 PolarHBondContact O-N 2.99Å; L342-G345 PolarHBondContact O-N 2.86Å; G345-A347 PolarHBondContact O-N 2.91Å; G345-A347 VanDerWaalsContact O-N 3.1Å; G345-A362 WeakPolarHBondContact CA-O 3.43Å
346	A	68.2	Low	75.6	Confident	81 Å²	81	73.8 Å²	73.8	67%	0.669	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.3	115.5	173.2	0	0	0	0	0	109.2	A362	A346-A362 PolarHBondContact O-N 3.44Å
347	A	80.9	Confident	77.3	Confident	65 Å²	65	67.1 Å²	67.1	54%	0.537	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	117.7	-175.8	0	0	0	0	0	111	G345 Y359 R360 V361	G345-A347 PolarHBondContact O-N 2.91Å; G345-A347 VanDerWaalsContact O-N 3.1Å; A347-Y359 HydrophobicContact CB-CD1 4.34Å; A347-R360 WeakPolarHBondContact CA-O 3.2Å; A347-V361 HydrophobicContact CB-CG2 4.18Å
348	E	84.3	Confident	78.7	Confident	109 Å²	109	67.6 Å²	67.6	51%	0.509	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.5	171.7	-177.7	-174.2	174.7	0	0	109	L350 Y359 R360	E348-L350 PolarHBondContact O-N 3.43Å; E348-Y359 CarbonylContact O-C 3.48Å; E348-Y359 VanDerWaalsContact O-CA 3.23Å; E348-Y359 WeakPolarHBondContact O-CA 3.19Å; E348-R360 HydrophobicContact CB-CB 4.37Å; E348-R360 PolarHBondContact N-O 2.85Å; E348-R360 PolarHBondContact O-N 3.14Å; E348-R360 IonicContact OE2-NH1 3.84Å; E348-R360 PolarHBondContact OE2-NH1 3.42Å
349	M	82.5	Confident	79.8	Confident	113 Å²	113	67 Å²	67	56%	0.557	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	112	176	-174.5	-176.4	-57.5	0	0	109.5	T357 Y359	M349-T357 HydrophobicContact CE-CG2 4.26Å; M349-T357 HydrophobicContact CG-CG2 4.19Å; M349-T357 HydrophobicContact SD-CG2 4.21Å; M349-Y359 HydrophobicContact CB-CD1 4.2Å; M349-Y359 HydrophobicContact CB-CE1 4.12Å; M349-Y359 HydrophobicContact CE-CE1 4.14Å; M349-Y359 HydrophobicContact CG-CE1 4.3Å
350	L	81.5	Confident	80.6	Confident	90 Å²	90	69.4 Å²	69.4	47%	0.471	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	-31	174.1	-63.7	-177.2	0	0	0	111.8	E348 T358 R360	E348-L350 PolarHBondContact O-N 3.43Å; L350-T358 HydrophobicContact CB-CG2 4.29Å; L350-T358 HydrophobicContact CD1-CG2 4.17Å; L350-T358 PolarHBondContact N-O 3.12Å; L350-R360 HydrophobicContact CD1-CB 3.97Å; L350-R360 HydrophobicContact CD2-CB 3.88Å; L350-R360 HydrophobicContact CG-CB 3.86Å
351	G	85	Confident	81.5	Confident	28 Å²	28	66.6 Å²	66.6	29%	0.289	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	167.1	167.8	176	0	0	0	0	0	114.6	T358	G351-T358 PolarHBondContact N-O 3.4Å; G351-T358 PolarHBondContact O-N 3.45Å
352	K	82.8	Confident	82	Confident	174 Å²	174	65.9 Å²	65.9	76%	0.757	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	103.2	177.1	-173.1	178.6	-179.8	-176.9	0	109.9	T357	K352-T357 HydrophobicContact CB-CG2 4.46Å
353	G	78.6	Confident	81.9	Confident	46 Å²	46	66.1 Å²	66.1	47%	0.474	38%	0.378	S	S	.	.			trans	-84.6	176.5	175.2	0	0	0	0	0	112.5	T355 A356	G353-T355 PolarHBondContact O-N 2.99Å; G353-A356 PolarHBondContact N-O 2.86Å
354	A	79.1	Confident	81.5	Confident	106 Å²	106	63.1 Å²	63.1	88%	0.876	38%	0.377	S	S	*	.	S	Bend	trans	-64.1	-25.3	174.8	0	0	0	0	0	112.9
355	T	83.1	Confident	80.5	Confident	28 Å²	28	57.5 Å²	57.5	17%	0.172	38%	0.379	C	S	.	.	S	Bend	trans	-103.2	-39.2	-174.4	60	0	0	0	0	114.2	G353 L511 L512 L515	G353-T355 PolarHBondContact O-N 2.99Å; T355-L511 HydrophobicContact CG2-CB 4.41Å; T355-L512 HydrophobicContact CG2-CD2 3.51Å; T355-L512 HydrophobicContact CG2-CG 4.04Å; T355-L515 HydrophobicContact CG2-CD1 3.79Å; T355-L515 HydrophobicContact CG2-CG 4.43Å
356	A	90.6	Very high	79.6	Confident	5 Å²	5	63.6 Å²	63.6	4%	0.041	41%	0.407	C	S	.	.			trans	-150.2	155.8	-171.5	0	0	0	0	0	111.3	G353 K388 R389 M390	G353-A356 PolarHBondContact N-O 2.86Å; A356-K388 HydrophobicContact CB-CB 3.98Å; A356-R389 VanDerWaalsContact CA-O 3.32Å; A356-R389 WeakPolarHBondContact CA-O 3Å; A356-M390 HydrophobicContact CB-CG 3.66Å
357	T	92.7	Very high	78.3	Confident	24 Å²	24	67.4 Å²	67.4	15%	0.147	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	128.3	162.7	-47.7	0	0	0	0	108.4	M349 K352 Y359 K388 R389	M349-T357 HydrophobicContact CE-CG2 4.26Å; M349-T357 HydrophobicContact CG-CG2 4.19Å; M349-T357 HydrophobicContact SD-CG2 4.21Å; K352-T357 HydrophobicContact CB-CG2 4.46Å; T357-Y359 HydrophobicContact CG2-CD2 4.41Å; T357-Y359 HydrophobicContact CG2-CE1 4.31Å; T357-Y359 HydrophobicContact CG2-CE2 3.57Å; T357-Y359 WeakPolarHBondContact CG2-OH 3.35Å; T357-K388 WeakPolarHBondContact O-CA 3.49Å; T357-R389 PolarHBondContact N-O 3.31Å; T357-R389 PolarHBondContact O-N 2.9Å
358	T	92.6	Very high	76.1	Confident	19 Å²	19	69.2 Å²	69.2	12%	0.117	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.3	-175.1	-54.1	0	0	0	0	109.6	L350 G351 V386 V387 K388	L350-T358 HydrophobicContact CB-CG2 4.29Å; L350-T358 HydrophobicContact CD1-CG2 4.17Å; L350-T358 PolarHBondContact N-O 3.12Å; G351-T358 PolarHBondContact N-O 3.4Å; G351-T358 PolarHBondContact O-N 3.45Å; T358-V386 HydrophobicContact CG2-CG1 3.43Å; T358-V386 VanDerWaalsContact CG2-CG1 3.43Å; T358-V387 CarbonylContact C-O 3.05Å; T358-V387 WeakPolarHBondContact CA-O 3.15Å; T358-K388 HydrophobicContact CG2-CG 4.08Å; T358-K388 PolarHBondContact OG1-NZ 3.02Å
359	Y	91.1	Very high	73.7	Confident	53 Å²	53	71.4 Å²	71.4	21%	0.208	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	140.3	178.7	-59.4	-90.5	0	0	0	110.1	A347 E348 M349 T357 V386 V387 R389	A347-Y359 HydrophobicContact CB-CD1 4.34Å; E348-Y359 CarbonylContact O-C 3.48Å; E348-Y359 VanDerWaalsContact O-CA 3.23Å; E348-Y359 WeakPolarHBondContact O-CA 3.19Å; M349-Y359 HydrophobicContact CB-CD1 4.2Å; M349-Y359 HydrophobicContact CB-CE1 4.12Å; M349-Y359 HydrophobicContact CE-CE1 4.14Å; M349-Y359 HydrophobicContact CG-CE1 4.3Å; T357-Y359 HydrophobicContact CG2-CD2 4.41Å; T357-Y359 HydrophobicContact CG2-CE1 4.31Å; T357-Y359 HydrophobicContact CG2-CE2 3.57Å; T357-Y359 WeakPolarHBondContact CG2-OH 3.35Å; Y359-V386 CarbonylContact O-C 3.51Å; Y359-V386 WeakPolarHBondContact O-CA 3.35Å; Y359-V387 PolarHBondContact N-O 2.78Å; Y359-V387 PolarHBondContact O-N 3.38Å; Y359-R389 HydrophobicContact CD2-CB 4.47Å; Y359-R389 HydrophobicContact CE2-CB 4.04Å
360	R	88.7	Confident	71.5	Confident	71 Å²	71	71.8 Å²	71.8	27%	0.268	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	124.1	161.8	176.4	178.1	174.7	-89.5	-9.6	107	A347 E348 L350 V384 Y438	A347-R360 WeakPolarHBondContact CA-O 3.2Å; E348-R360 HydrophobicContact CB-CB 4.37Å; E348-R360 PolarHBondContact N-O 2.85Å; E348-R360 PolarHBondContact O-N 3.14Å; E348-R360 IonicContact OE2-NH1 3.84Å; E348-R360 PolarHBondContact OE2-NH1 3.42Å; L350-R360 HydrophobicContact CD1-CB 3.97Å; L350-R360 HydrophobicContact CD2-CB 3.88Å; L350-R360 HydrophobicContact CG-CB 3.86Å; R360-V384 HydrophobicContact CG-CG1 3.67Å; R360-Y438 HydrophobicContact CG-CD2 4.27Å; R360-Y438 HydrophobicContact CG-CE2 4.08Å
361	V	88.5	Confident	69.3	Low	4 Å²	4	74.2 Å²	74.2	2%	0.024	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122.2	-178.2	-173.3	0	0	0	0	108.9	L342 A347 M363 V384 V385 V387	L342-V361 HydrophobicContact CD1-CB 4.34Å; L342-V361 HydrophobicContact CD1-CG1 4.1Å; A347-V361 HydrophobicContact CB-CG2 4.18Å; V361-M363 HydrophobicContact CG1-CG 4.32Å; V361-M363 HydrophobicContact CG1-SD 4.01Å; V361-V384 WeakPolarHBondContact O-CA 3.2Å; V361-V385 HydrophobicContact CB-CG2 4.15Å; V361-V385 PolarHBondContact N-O 3Å; V361-V385 PolarHBondContact O-N 3.15Å; V361-V387 HydrophobicContact CB-CG2 4.25Å; V361-V387 HydrophobicContact CG2-CB 4.18Å; V361-V387 HydrophobicContact CG2-CG2 3.59Å
362	A	83	Confident	67	Low	34 Å²	34	80 Å²	80	28%	0.281	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	119.7	168.2	0	0	0	0	0	109.1	G345 A346 V384	G345-A362 WeakPolarHBondContact CA-O 3.43Å; A346-A362 PolarHBondContact O-N 3.44Å; A362-V384 HydrophobicContact CB-CG2 4.47Å
363	M	74.3	Confident	64.9	Low	12 Å²	12	76.7 Å²	76.7	6%	0.059	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	121.1	-179.6	-63.4	-73.2	-85.4	0	0	109.2	T341 L342 V361 G382 E383 V385	T341-M363 HydrophobicContact CG2-CE 3.7Å; T341-M363 HydrophobicContact CG2-SD 4.27Å; L342-M363 WeakPolarHBondContact CA-SD 3.26Å; L342-M363 HydrophobicContact CB-CE 4.04Å; L342-M363 HydrophobicContact CB-SD 4.28Å; L342-M363 HydrophobicContact CD1-CE 3.98Å; L342-M363 HydrophobicContact CD1-CG 4.46Å; L342-M363 HydrophobicContact CD1-SD 3.72Å; V361-M363 HydrophobicContact CG1-CG 4.32Å; V361-M363 HydrophobicContact CG1-SD 4.01Å; M363-G382 CarbonylContact O-C 3.6Å; M363-G382 VanDerWaalsContact O-CA 3.23Å; M363-G382 WeakPolarHBondContact O-CA 3.31Å; M363-E383 WeakPolarHBondContact CA-O 3.31Å; M363-E383 WeakPolarHBondContact CB-O 3.47Å; M363-E383 PolarHBondContact N-O 3.02Å; M363-E383 PolarHBondContact O-N 3.35Å; M363-V385 HydrophobicContact CG-CG2 4.1Å
364	G	63.4	Low	62.8	Low	53 Å²	53	79.5 Å²	79.5	55%	0.546	50%	0.498	S	S	.	.	S	Bend	trans	85.4	114.9	-178.1	0	0	0	0	0	112.2	G382	G364-G382 WeakPolarHBondContact O-CA 3.48Å
365	G	52.8	Low	60.7	Low	75 Å²	75	80.4 Å²	80.4	77%	0.773	49%	0.492	S	S	*	.			trans	160.6	-13.5	-175.7	0	0	0	0	0	113.8	N367	G365-N367 PolarHBondContact O-N 3.42Å
366	D	46.9	Very low	58.2	Low	145 Å²	145	86 Å²	86	78%	0.775	53%	0.526	S	S	*	.			trans	-87.7	100.2	171.1	-123.6	18.2	0	0	0	109.3	V368	D366-V368 HydrophobicContact CB-CG2 3.71Å; D366-V368 VanDerWaalsContact CG-CG2 3.47Å; D366-V368 PolarHBondContact O-N 3.39Å; D366-V368 WeakPolarHBondContact OD2-CG2 3.2Å
367	N	40.9	Very low	55.4	Low	162 Å²	162	93.5 Å²	93.5	87%	0.866	56%	0.56	S	S	*	*			trans	-51.6	84.6	146	-90.2	-11.6	0	0	0	108.1	G365	G365-N367 PolarHBondContact O-N 3.42Å
368	V	35.7	Very low	52.6	Low	102 Å²	102	101.3 Å²	101.3	62%	0.618	60%	0.595	S	S	*	*			trans	-112.7	83.2	168	179.8	0	0	0	0	108.2	D366 V370	D366-V368 HydrophobicContact CB-CG2 3.71Å; D366-V368 VanDerWaalsContact CG-CG2 3.47Å; D366-V368 PolarHBondContact O-N 3.39Å; D366-V368 WeakPolarHBondContact OD2-CG2 3.2Å; V368-V370 PolarHBondContact O-N 3.01Å
369	I	34.9	Very low	50.2	Low	155 Å²	155	103.8 Å²	103.8	80%	0.795	62%	0.624	S	S	*	*			trans	-3	109.4	149.4	-51.5	167.9	0	0	0	113.9
370	V	34.4	Very low	48	Very low	121 Å²	121	110.9 Å²	110.9	73%	0.733	66%	0.656	S	S	*	*			trans	-145.3	111.3	141.8	-171.3	0	0	0	0	107.9	V368	V368-V370 PolarHBondContact O-N 3.01Å
371	D	36	Very low	46.2	Very low	142 Å²	142	112.1 Å²	112.1	76%	0.759	68%	0.681	S	S	*	*	S	Bend	trans	65.5	119.5	157.4	-56.1	-19.4	0	0	0	121.4
372	D	36.3	Very low	45.1	Very low	149 Å²	149	113.6 Å²	113.6	80%	0.797	70%	0.698	S	S	*	*	S	Bend	trans	55.9	103	155.7	-86.4	-30.7	0	0	0	120.2	S374	D372-S374 PolarHBondContact O-N 2.93Å; D372-S374 VanDerWaalsContact O-N 3.17Å
373	A	40.1	Very low	45	Very low	104 Å²	104	114 Å²	114	86%	0.86	69%	0.694	S	S	*	*			trans	42.9	62.5	132	0	0	0	0	0	117.5
374	S	34.2	Very low	45.6	Very low	105 Å²	105	115.1 Å²	115.1	73%	0.734	70%	0.701	S	S	*	*			trans	-147.8	113.6	158.6	59.7	0	0	0	0	111.9	D372	D372-S374 PolarHBondContact O-N 2.93Å; D372-S374 VanDerWaalsContact O-N 3.17Å
375	V	33.7	Very low	46.9	Very low	125 Å²	125	112.9 Å²	112.9	76%	0.758	68%	0.677	S	S	*	*			trans	40.2	109.9	152.1	-168.3	0	0	0	0	116.8	E377	V375-E377 VanDerWaalsContact C-N 3.33Å; V375-E377 PolarHBondContact O-N 3.38Å
376	V	32.3	Very low	48.8	Very low	145 Å²	145	110.1 Å²	110.1	88%	0.879	65%	0.645	S	S	*	*			trans	-65.3	89.6	166.7	-174.5	0	0	0	0	108.6	E378	V376-E378 PolarHBondContact O-N 2.88Å
377	E	31.5	Very low	51	Low	164 Å²	164	103.6 Å²	103.6	77%	0.766	61%	0.61	S	S	*	*			trans	-64.2	126.4	157.6	-76.9	-81.7	130.2	0	0	107	V375 G379	V375-E377 VanDerWaalsContact C-N 3.33Å; V375-E377 PolarHBondContact O-N 3.38Å; E377-G379 PolarHBondContact O-N 3Å
378	E	34	Very low	53.5	Low	187 Å²	187	96.3 Å²	96.3	87%	0.874	57%	0.571	S	S	*	*			trans	-48.8	108.7	170.6	-72.8	-177.9	154.4	0	0	108.4	V376 K380	V376-E378 PolarHBondContact O-N 2.88Å; E378-K380 PolarHBondContact O-N 3.09Å; E378-K380 VanDerWaalsContact O-N 3.1Å
379	G	41.6	Very low	56.3	Low	71 Å²	71	94.6 Å²	94.6	73%	0.732	55%	0.554	S	S	*	*			trans	-52.9	121	-169.2	0	0	0	0	0	110.6	E377 A381	E377-G379 PolarHBondContact O-N 3Å; G379-A381 PolarHBondContact O-N 2.87Å
380	K	44.5	Very low	59	Low	202 Å²	202	87.6 Å²	87.6	88%	0.878	52%	0.518	S	S	*	.			trans	-44.5	120.9	170	-86.5	-178.5	176.5	175	0	108.2	E378 G382	E378-K380 PolarHBondContact O-N 3.09Å; E378-K380 VanDerWaalsContact O-N 3.1Å; K380-G382 PolarHBondContact O-N 3.25Å; K380-G382 VanDerWaalsContact O-N 3.15Å
381	A	50.8	Low	61.7	Low	97 Å²	97	90.7 Å²	90.7	80%	0.802	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-46.8	124.3	177.1	0	0	0	0	0	109.5	G379 E383	G379-A381 PolarHBondContact O-N 2.87Å; A381-E383 PolarHBondContact O-N 2.95Å
382	G	66.9	Low	64.1	Low	36 Å²	36	89.3 Å²	89.3	37%	0.371	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-51.8	130.7	-178.8	0	0	0	0	0	111.5	M363 G364 K380	M363-G382 CarbonylContact O-C 3.6Å; M363-G382 VanDerWaalsContact O-CA 3.23Å; M363-G382 WeakPolarHBondContact O-CA 3.31Å; G364-G382 WeakPolarHBondContact O-CA 3.48Å; K380-G382 PolarHBondContact O-N 3.25Å; K380-G382 VanDerWaalsContact O-N 3.15Å
383	E	80.9	Confident	66.4	Low	43 Å²	43	89.8 Å²	89.8	20%	0.201	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	127.2	178	-175.7	168.7	-137.5	0	0	109.4	C334 V335 M363 A381 V385 R423	C334-E383 PolarHBondContact SG-OE1 3.05Å; V335-E383 WeakPolarHBondContact CG2-OE2 3.46Å; M363-E383 WeakPolarHBondContact CA-O 3.31Å; M363-E383 WeakPolarHBondContact CB-O 3.47Å; M363-E383 PolarHBondContact N-O 3.02Å; M363-E383 PolarHBondContact O-N 3.35Å; A381-E383 PolarHBondContact O-N 2.95Å; E383-V385 HydrophobicContact CG-CG1 4.46Å; E383-R423 IonicContact OE1-CZ 3.45Å; E383-R423 IonicContact OE1-NH1 2.67Å; E383-R423 PolarHBondContact OE1-NH1 3.27Å; E383-R423 IonicContact OE1-NH2 3.11Å; E383-R423 IonicContact OE2-NH1 3.6Å
384	V	86.8	Confident	68.5	Low	34 Å²	34	93.9 Å²	93.9	21%	0.206	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	130.9	179.1	-173.6	0	0	0	0	109.6	R360 V361 A362 Y438	R360-V384 HydrophobicContact CG-CG1 3.67Å; V361-V384 WeakPolarHBondContact O-CA 3.2Å; A362-V384 HydrophobicContact CB-CG2 4.47Å; V384-Y438 HydrophobicContact CB-CD1 3.94Å; V384-Y438 HydrophobicContact CB-CG 4.08Å; V384-Y438 HydrophobicContact CG1-CD1 3.7Å; V384-Y438 HydrophobicContact CG1-CD2 3.91Å; V384-Y438 HydrophobicContact CG1-CE1 4.21Å; V384-Y438 HydrophobicContact CG1-CE2 4.4Å; V384-Y438 HydrophobicContact CG1-CG 3.53Å; V384-Y438 WeakPolarHBondContact O-CB 3.17Å
385	V	90.5	Very high	71	Confident	7 Å²	7	92.4 Å²	92.4	4%	0.042	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	162.1	177.1	-63.4	0	0	0	0	111.2	L342 V361 M363 E383 V387 V435	L342-V385 HydrophobicContact CD1-CG2 4.07Å; V361-V385 HydrophobicContact CB-CG2 4.15Å; V361-V385 PolarHBondContact N-O 3Å; V361-V385 PolarHBondContact O-N 3.15Å; M363-V385 HydrophobicContact CG-CG2 4.1Å; E383-V385 HydrophobicContact CG-CG1 4.46Å; V385-V387 HydrophobicContact CG2-CG2 4.29Å; V385-V435 HydrophobicContact CB-CG1 3.9Å; V385-V435 HydrophobicContact CG1-CG1 4.21Å; V385-V435 HydrophobicContact CG2-CG1 3.98Å
386	V	92.8	Very high	73.5	Confident	17 Å²	17	86.9 Å²	86.9	10%	0.103	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	122.2	172.1	174.7	0	0	0	0	109.4	T358 Y359 K388 V435 F436 Y438	T358-V386 HydrophobicContact CG2-CG1 3.43Å; T358-V386 VanDerWaalsContact CG2-CG1 3.43Å; Y359-V386 CarbonylContact O-C 3.51Å; Y359-V386 WeakPolarHBondContact O-CA 3.35Å; V386-K388 HydrophobicContact CG1-CG 4.49Å; V386-V435 CarbonylContact O-C 3.58Å; V386-V435 WeakPolarHBondContact O-CA 3.24Å; V386-F436 HydrophobicContact CB-CB 4.33Å; V386-F436 PolarHBondContact N-O 3.01Å; V386-F436 PolarHBondContact O-N 3.46Å; V386-Y438 HydrophobicContact CG2-CD2 3.88Å
387	V	92.6	Very high	76.1	Confident	7 Å²	7	83.1 Å²	83.1	4%	0.042	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	119.8	177	-176.8	0	0	0	0	109.7	L342 T358 Y359 V361 V385 L433 L434	L342-V387 HydrophobicContact CD1-CG2 3.53Å; L342-V387 HydrophobicContact CD2-CG1 4.02Å; L342-V387 HydrophobicContact CD2-CG2 3.74Å; L342-V387 HydrophobicContact CG-CG2 4Å; T358-V387 CarbonylContact C-O 3.05Å; T358-V387 WeakPolarHBondContact CA-O 3.15Å; Y359-V387 PolarHBondContact N-O 2.78Å; Y359-V387 PolarHBondContact O-N 3.38Å; V361-V387 HydrophobicContact CB-CG2 4.25Å; V361-V387 HydrophobicContact CG2-CB 4.18Å; V361-V387 HydrophobicContact CG2-CG2 3.59Å; V385-V387 HydrophobicContact CG2-CG2 4.29Å; V387-L433 HydrophobicContact CG1-CB 4.28Å; V387-L433 HydrophobicContact CG1-CD2 4.42Å; V387-L434 CarbonylContact C-O 3.42Å; V387-L434 WeakPolarHBondContact CA-O 3.42Å
388	K	94.3	Very high	78.8	Confident	10 Å²	10	84 Å²	84	4%	0.043	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	113.8	170.9	-68.8	-176.6	-175.7	-84.1	0	109.7	A356 T357 T358 V386 L433 L434 F436 D508 L511	A356-K388 HydrophobicContact CB-CB 3.98Å; T357-K388 WeakPolarHBondContact O-CA 3.49Å; T358-K388 HydrophobicContact CG2-CG 4.08Å; T358-K388 PolarHBondContact OG1-NZ 3.02Å; V386-K388 HydrophobicContact CG1-CG 4.49Å; K388-L433 WeakPolarHBondContact O-CA 3.3Å; K388-L434 HydrophobicContact CB-CB 4.32Å; K388-L434 PolarHBondContact N-O 3.28Å; K388-L434 PolarHBondContact O-N 3.32Å; K388-F436 HydrophobicContact CD-CD2 4.29Å; K388-F436 HydrophobicContact CD-CE2 4.02Å; K388-D508 WeakPolarHBondContact CE-OD1 3.01Å; K388-D508 IonicContact NZ-OD1 3.12Å; K388-D508 PolarHBondContact NZ-OD1 3.27Å; K388-D508 IonicContact NZ-OD2 3.09Å; K388-D508 PolarHBondContact NZ-OD2 3.48Å; K388-L511 HydrophobicContact CD-CD1 3.71Å; K388-L511 HydrophobicContact CD-CD2 4.33Å
389	R	93	Very high	81.4	Confident	66 Å²	66	82.7 Å²	82.7	25%	0.249	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	117	-178.5	-179.9	174.4	-171.4	171.8	17.1	110.9	A356 T357 Y359 E431 L433	A356-R389 VanDerWaalsContact CA-O 3.32Å; A356-R389 WeakPolarHBondContact CA-O 3Å; T357-R389 PolarHBondContact N-O 3.31Å; T357-R389 PolarHBondContact O-N 2.9Å; Y359-R389 HydrophobicContact CD2-CB 4.47Å; Y359-R389 HydrophobicContact CE2-CB 4.04Å; R389-E431 IonicContact CZ-OE2 3.76Å; R389-E431 IonicContact NE-OE2 3.57Å; R389-E431 PolarHBondContact NE-OE2 2.92Å; R389-E431 IonicContact NH2-OE1 3.01Å; R389-E431 PolarHBondContact NH2-OE1 3.46Å; R389-E431 IonicContact NH2-OE2 3.18Å; R389-E431 PolarHBondContact NH2-OE2 2.93Å; R389-L433 HydrophobicContact CB-CD2 3.71Å; R389-L433 HydrophobicContact CG-CD2 3.57Å
390	M	92.4	Very high	83.6	Confident	8 Å²	8	81.2 Å²	81.2	4%	0.039	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	114.7	177.2	-59.7	-177	76	0	0	109.8	A356 E431 L432 L434 L514 L515	A356-M390 HydrophobicContact CB-CG 3.66Å; M390-E431 CarbonylContact O-C 3.6Å; M390-E431 VanDerWaalsContact O-CA 3.32Å; M390-E431 WeakPolarHBondContact O-CA 3.47Å; M390-E431 WeakPolarHBondContact O-CB 3.18Å; M390-L432 HydrophobicContact CB-CB 4.34Å; M390-L432 PolarHBondContact N-O 2.82Å; M390-L432 PolarHBondContact O-N 2.87Å; M390-L432 HydrophobicContact SD-CD2 4.38Å; M390-L434 HydrophobicContact SD-CD1 4.3Å; M390-L514 HydrophobicContact CE-CB 3.96Å; M390-L514 HydrophobicContact SD-CB 4.26Å; M390-L514 HydrophobicContact SD-CD1 3.86Å; M390-L515 HydrophobicContact CE-CD2 3.46Å; M390-L515 VanDerWaalsContact CE-CD2 3.46Å; M390-L515 HydrophobicContact CE-CG 3.75Å
391	R	90.3	Very high	85.7	Confident	186 Å²	186	73 Å²	73	70%	0.702	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	150.4	175.1	-67	-172.3	179	-132.2	0.3	110.9	R393	R391-R393 PolarHBondContact O-N 3.06Å
392	R	87.4	Confident	87.6	Confident	112 Å²	112	77.8 Å²	77.8	42%	0.423	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-59.3	133.4	170.2	-178	169.4	176.7	-169.5	-2.1	109.7	A396 A429 D430	R392-A396 HydrophobicContact CG-CB 4.07Å; R392-A396 PolarHBondContact NH2-O 3.5Å; R392-A429 WeakPolarHBondContact CD-O 3.35Å; R392-A429 PolarHBondContact NH1-O 2.99Å; R392-D430 VanDerWaalsContact CB-O 3.23Å; R392-D430 WeakPolarHBondContact CB-O 3.28Å; R392-D430 PolarHBondContact N-O 3.2Å
393	R	84.5	Confident	88.8	Confident	159 Å²	159	79 Å²	79	60%	0.6	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-76	139.6	176.1	175.2	-179.8	153.9	-156.4	-5.5	109.4	R391 G395 A396	R391-R393 PolarHBondContact O-N 3.06Å; R393-G395 PolarHBondContact O-N 2.95Å; R393-A396 HydrophobicContact CB-CB 4.37Å; R393-A396 WeakPolarHBondContact O-CB 3.36Å; R393-A396 PolarHBondContact O-N 3.41Å
394	E	84.3	Confident	89.3	Confident	191 Å²	191	77.7 Å²	77.7	89%	0.893	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	127.9	172	-166.8	173.3	-173.9	0	0	110.4
395	G	85.5	Confident	89.6	Confident	73 Å²	73	77.2 Å²	77.2	75%	0.753	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	5.9	-174.1	0	0	0	0	0	115.9	R393 T397	R393-G395 PolarHBondContact O-N 2.95Å; G395-T397 PolarHBondContact O-N 3.21Å
396	A	85.9	Confident	89.7	Confident	10 Å²	10	83 Å²	83	8%	0.083	37%	0.372	C	S	.	.			trans	-63.7	128.9	175.7	0	0	0	0	0	112.1	R392 R393	R392-A396 HydrophobicContact CG-CB 4.07Å; R392-A396 PolarHBondContact NH2-O 3.5Å; R393-A396 HydrophobicContact CB-CB 4.37Å; R393-A396 WeakPolarHBondContact O-CB 3.36Å; R393-A396 PolarHBondContact O-N 3.41Å
397	T	88.4	Confident	89.7	Confident	65 Å²	65	83.1 Å²	83.1	40%	0.399	37%	0.372	S	S	.	.			trans	-81	166.5	-178.6	68.3	0	0	0	0	112	G395 E399 D400 E401	G395-T397 PolarHBondContact O-N 3.21Å; T397-E399 PolarHBondContact O-N 2.7Å; T397-E399 PolarHBondContact OG1-N 3.37Å; T397-D400 WeakPolarHBondContact CB-OD2 3.37Å; T397-D400 PolarHBondContact N-OD2 3.24Å; T397-D400 PolarHBondContact O-N 2.97Å; T397-D400 VanDerWaalsContact OG1-CG 3.25Å; T397-D400 PolarHBondContact OG1-N 2.63Å; T397-D400 VanDerWaalsContact OG1-N 3.09Å; T397-D400 PolarHBondContact OG1-OD2 2.88Å; T397-E401 PolarHBondContact O-N 3.36Å
398	R	86.9	Confident	89.8	Confident	182 Å²	182	82.8 Å²	82.8	69%	0.687	37%	0.37	S	S	*	.	H	α-helix	trans	-62.2	-29.3	171.7	-66.4	-177.4	84.3	171.8	8.5	112	S321 R402	S321-R398 PolarHBondContact O-NH2 2.89Å; R398-R402 WeakPolarHBondContact O-CB 3.49Å; R398-R402 PolarHBondContact O-N 3.13Å
399	E	88.8	Confident	89.9	Confident	160 Å²	160	87.1 Å²	87.1	75%	0.748	39%	0.386	S	S	*	.	H	α-helix	trans	-70.6	-40	177.3	-65.3	-177.5	172.9	0	0	111.5	T397 E401 R402 R403	T397-E399 PolarHBondContact O-N 2.7Å; T397-E399 PolarHBondContact OG1-N 3.37Å; E399-E401 VanDerWaalsContact C-N 3.34Å; E399-E401 PolarHBondContact O-N 2.85Å; E399-R402 PolarHBondContact O-N 2.79Å; E399-R403 WeakPolarHBondContact O-CB 3.38Å; E399-R403 PolarHBondContact O-N 3.34Å
400	D	88.6	Confident	89.9	Confident	40 Å²	40	86.5 Å²	86.5	21%	0.214	39%	0.386	C	S	.	.	H	α-helix	trans	-58.5	-45.9	173.5	-68.2	-55.4	0	0	0	111.6	T397 R403 K404	T397-D400 WeakPolarHBondContact CB-OD2 3.37Å; T397-D400 PolarHBondContact N-OD2 3.24Å; T397-D400 PolarHBondContact O-N 2.97Å; T397-D400 VanDerWaalsContact OG1-CG 3.25Å; T397-D400 PolarHBondContact OG1-N 2.63Å; T397-D400 VanDerWaalsContact OG1-N 3.09Å; T397-D400 PolarHBondContact OG1-OD2 2.88Å; D400-R403 WeakPolarHBondContact O-CB 3.41Å; D400-R403 PolarHBondContact O-N 3.15Å; D400-R403 IonicContact OD1-NH1 3Å; D400-R403 PolarHBondContact OD1-NH1 2.86Å; D400-R403 VanDerWaalsContact OD1-NH1 3.11Å; D400-K404 WeakPolarHBondContact O-CG 3.46Å; D400-K404 PolarHBondContact O-N 3.1Å
401	E	88.8	Confident	90	Very high	30 Å²	30	86.1 Å²	86.1	14%	0.14	38%	0.384	C	S	.	.	H	α-helix	trans	-68.7	-37.9	179	-63.3	-52.5	136.3	0	0	112.2	T397 E399 R403 K404 R405	T397-E401 PolarHBondContact O-N 3.36Å; E399-E401 VanDerWaalsContact C-N 3.34Å; E399-E401 PolarHBondContact O-N 2.85Å; E401-R403 VanDerWaalsContact C-N 3.34Å; E401-K404 PolarHBondContact O-N 3.17Å; E401-K404 IonicContact OE1-NZ 3.14Å; E401-K404 PolarHBondContact OE1-NZ 3.08Å; E401-K404 IonicContact OE2-NZ 3.86Å; E401-R405 WeakPolarHBondContact O-CG 3.38Å; E401-R405 PolarHBondContact O-N 3.28Å
402	R	90.9	Very high	90.2	Very high	197 Å²	197	77.4 Å²	77.4	74%	0.743	35%	0.352	S	S	*	.	H	α-helix	trans	-62.3	-41.5	171.6	177.8	178.1	-88.3	-92.3	3.3	111.2	R398 E399 K406	R398-R402 WeakPolarHBondContact O-CB 3.49Å; R398-R402 PolarHBondContact O-N 3.13Å; E399-R402 PolarHBondContact O-N 2.79Å; R402-K406 WeakPolarHBondContact O-CB 3.48Å; R402-K406 PolarHBondContact O-N 3.5Å
403	R	90.5	Very high	90.5	Very high	62 Å²	62	76.5 Å²	76.5	23%	0.234	36%	0.359	C	S	.	.	H	α-helix	trans	-62.6	-47.8	177	-168.8	-171.3	92.3	-108.5	1.1	111.2	E399 D400 E401 R405 K406 L407 Q513 L514 V516	E399-R403 WeakPolarHBondContact O-CB 3.38Å; E399-R403 PolarHBondContact O-N 3.34Å; D400-R403 WeakPolarHBondContact O-CB 3.41Å; D400-R403 PolarHBondContact O-N 3.15Å; D400-R403 IonicContact OD1-NH1 3Å; D400-R403 PolarHBondContact OD1-NH1 2.86Å; D400-R403 VanDerWaalsContact OD1-NH1 3.11Å; E401-R403 VanDerWaalsContact C-N 3.34Å; R403-R405 PolarHBondContact O-N 3.37Å; R403-K406 PolarHBondContact O-N 3.05Å; R403-L407 PolarHBondContact O-N 2.89Å; R403-Q513 PolarHBondContact NH2-O 3.38Å; R403-L514 PolarHBondContact NH2-O 3.28Å; R403-V516 VanDerWaalsContact NH2-C 3.33Å
404	K	91.4	Very high	91	Very high	16 Å²	16	69.5 Å²	69.5	7%	0.07	33%	0.332	C	S	.	.	H	α-helix	trans	-56.2	-49.7	176.5	-76.6	174.4	-173.1	171.4	0	112	D400 E401 K406 L407 A408 L514	D400-K404 WeakPolarHBondContact O-CG 3.46Å; D400-K404 PolarHBondContact O-N 3.1Å; E401-K404 PolarHBondContact O-N 3.17Å; E401-K404 IonicContact OE1-NZ 3.14Å; E401-K404 PolarHBondContact OE1-NZ 3.08Å; E401-K404 IonicContact OE2-NZ 3.86Å; K404-K406 VanDerWaalsContact C-N 3.33Å; K404-K406 PolarHBondContact O-N 2.83Å; K404-L407 PolarHBondContact O-N 3.22Å; K404-A408 WeakPolarHBondContact O-CB 3.4Å; K404-A408 PolarHBondContact O-N 3.4Å; K404-L514 HydrophobicContact CB-CD2 4.22Å; K404-L514 WeakPolarHBondContact CE-O 3.39Å; K404-L514 HydrophobicContact CG-CD2 4.35Å; K404-L514 WeakPolarHBondContact CG-O 3.46Å; K404-L514 WeakPolarHBondContact O-CD2 2.69Å
405	R	93.3	Very high	91.5	Very high	23 Å²	23	64.4 Å²	64.4	9%	0.087	31%	0.305	C	S	.	.	H	α-helix	trans	-62.4	-39.2	178.4	-69.7	169.9	-175.7	-99.6	-2.9	112.1	E326 E401 R403 R409 A427 S428	E326-R405 IonicContact OE2-NH1 2.78Å; E326-R405 PolarHBondContact OE2-NH1 2.8Å; E401-R405 WeakPolarHBondContact O-CG 3.38Å; E401-R405 PolarHBondContact O-N 3.28Å; R403-R405 PolarHBondContact O-N 3.37Å; R405-R409 WeakPolarHBondContact O-CG 3.42Å; R405-R409 PolarHBondContact O-N 3.06Å; R405-R409 VanDerWaalsContact O-N 3.08Å; R405-R409 PolarHBondContact O-NH1 3.15Å; R405-A427 HydrophobicContact CG-CB 4.17Å; R405-A427 PolarHBondContact NH1-O 3.01Å; R405-A427 PolarHBondContact NH2-O 3.46Å; R405-S428 PolarHBondContact NH2-O 2.8Å
406	K	93.7	Very high	92	Very high	129 Å²	129	63.9 Å²	63.9	56%	0.561	28%	0.283	S	S	*	.	H	α-helix	trans	-62.3	-50	174.9	-172	-173.3	175	-166.9	0	111	R402 R403 K404 A408 R409 E410	R402-K406 WeakPolarHBondContact O-CB 3.48Å; R402-K406 PolarHBondContact O-N 3.5Å; R403-K406 PolarHBondContact O-N 3.05Å; K404-K406 VanDerWaalsContact C-N 3.33Å; K404-K406 PolarHBondContact O-N 2.83Å; K406-A408 PolarHBondContact O-N 3.02Å; K406-R409 WeakPolarHBondContact O-CB 3.15Å; K406-R409 PolarHBondContact O-N 3.46Å; K406-E410 WeakPolarHBondContact CE-OE1 3.08Å; K406-E410 PolarHBondContact O-N 3.07Å
407	L	93	Very high	92.5	Very high	20 Å²	20	66.8 Å²	66.8	11%	0.105	31%	0.307	C	S	.	.	H	α-helix	trans	-63	-40.9	178.6	-179.6	58.4	0	0	0	112	R403 K404 R409 E410 M411 W414 Q513 L514	R403-L407 PolarHBondContact O-N 2.89Å; K404-L407 PolarHBondContact O-N 3.22Å; L407-R409 VanDerWaalsContact C-N 3.3Å; L407-R409 PolarHBondContact O-N 2.9Å; L407-E410 WeakPolarHBondContact O-CB 3.29Å; L407-E410 PolarHBondContact O-N 3.33Å; L407-E410 VanDerWaalsContact O-N 3.13Å; L407-M411 HydrophobicContact CD1-CG 4.4Å; L407-M411 HydrophobicContact CG-CG 4.39Å; L407-M411 HydrophobicContact CG-SD 4.21Å; L407-M411 VanDerWaalsContact O-CG 3.26Å; L407-M411 WeakPolarHBondContact O-CG 3.41Å; L407-M411 PolarHBondContact O-N 3.01Å; L407-W414 HydrophobicContact CD1-CH2 3.92Å; L407-Q513 HydrophobicContact CD2-CB 3.74Å; L407-L514 HydrophobicContact CB-CD2 3.98Å; L407-L514 HydrophobicContact CD2-CD2 3.79Å; L407-L514 HydrophobicContact CD2-CG 4Å; L407-L514 HydrophobicContact CG-CD2 3.97Å
408	A	94.6	Very high	93	Very high	0 Å²	0	64 Å²	64	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.9	-36.1	175.4	0	0	0	0	0	112.5	F330 K404 K406 M411 G412 F425 L434	F330-A408 WeakPolarHBondContact CZ-O 3.32Å; K404-A408 WeakPolarHBondContact O-CB 3.4Å; K404-A408 PolarHBondContact O-N 3.4Å; K406-A408 PolarHBondContact O-N 3.02Å; A408-M411 PolarHBondContact O-N 3.41Å; A408-G412 PolarHBondContact O-N 2.8Å; A408-F425 HydrophobicContact CB-CD1 3.69Å; A408-F425 HydrophobicContact CB-CD2 4.4Å; A408-F425 HydrophobicContact CB-CE1 3.81Å; A408-F425 HydrophobicContact CB-CG 4.01Å; A408-F425 HydrophobicContact CB-CZ 4.24Å; A408-L434 HydrophobicContact CB-CD2 4.3Å
409	R	95.2	Very high	93.5	Very high	100 Å²	100	55.4 Å²	55.4	38%	0.377	26%	0.257	S	S	.	.	H	α-helix	trans	-64.6	-43	170.9	-71.2	-172.7	-156.1	95.5	-3.6	112.2	E326 F330 R405 K406 L407 G412 F425	E326-R409 VanDerWaalsContact CD-NH2 3.27Å; E326-R409 IonicContact OE1-CZ 2.76Å; E326-R409 IonicContact OE1-NE 3.07Å; E326-R409 PolarHBondContact OE1-NE 3.14Å; E326-R409 IonicContact OE1-NH2 2.96Å; E326-R409 PolarHBondContact OE1-NH2 3.04Å; E326-R409 IonicContact OE2-NH2 3.67Å; E326-R409 PolarHBondContact OE2-NH2 3.23Å; F330-R409 WeakPolarHBondContact CE1-O 3.33Å; R405-R409 WeakPolarHBondContact O-CG 3.42Å; R405-R409 PolarHBondContact O-N 3.06Å; R405-R409 VanDerWaalsContact O-N 3.08Å; R405-R409 PolarHBondContact O-NH1 3.15Å; K406-R409 WeakPolarHBondContact O-CB 3.15Å; K406-R409 PolarHBondContact O-N 3.46Å; L407-R409 VanDerWaalsContact C-N 3.3Å; L407-R409 PolarHBondContact O-N 2.9Å; R409-G412 PolarHBondContact O-N 3.37Å; R409-F425 HydrophobicContact CG-CE1 3.74Å; R409-F425 HydrophobicContact CG-CZ 3.87Å
410	E	94.2	Very high	93.9	Very high	54 Å²	54	48 Å²	48	25%	0.252	22%	0.223	S	C	.	.	H	α-helix	trans	-62.1	-46.7	174.8	-67.5	175.9	-156.5	0	0	111.1	K406 L407 G412 T413 W414 S482	K406-E410 WeakPolarHBondContact CE-OE1 3.08Å; K406-E410 PolarHBondContact O-N 3.07Å; L407-E410 WeakPolarHBondContact O-CB 3.29Å; L407-E410 PolarHBondContact O-N 3.33Å; L407-E410 VanDerWaalsContact O-N 3.13Å; E410-G412 VanDerWaalsContact C-N 3.28Å; E410-G412 PolarHBondContact O-N 2.93Å; E410-T413 WeakPolarHBondContact O-CB 3.29Å; E410-T413 PolarHBondContact O-N 3.19Å; E410-T413 PolarHBondContact O-OG1 2.84Å; E410-W414 HydrophobicContact CB-CH2 4.5Å; E410-W414 HydrophobicContact CB-CZ2 3.77Å; E410-W414 PolarHBondContact O-NE1 2.59Å; E410-S482 PolarHBondContact OE2-OG 2.97Å
411	M	94.6	Very high	94.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-53.8	-41.3	178.6	-72.4	170	68.5	0	0	113.2	L407 A408 T413 W414 L422 L434 F436 F509 A510 L511 L514	L407-M411 HydrophobicContact CD1-CG 4.4Å; L407-M411 HydrophobicContact CG-CG 4.39Å; L407-M411 HydrophobicContact CG-SD 4.21Å; L407-M411 VanDerWaalsContact O-CG 3.26Å; L407-M411 WeakPolarHBondContact O-CG 3.41Å; L407-M411 PolarHBondContact O-N 3.01Å; A408-M411 PolarHBondContact O-N 3.41Å; M411-T413 PolarHBondContact O-N 2.9Å; M411-W414 HydrophobicContact CB-CE3 4.28Å; M411-W414 HydrophobicContact CB-CZ3 4.19Å; M411-W414 HydrophobicContact CG-CE3 4.08Å; M411-W414 HydrophobicContact CG-CH2 3.94Å; M411-W414 HydrophobicContact CG-CZ3 3.51Å; M411-W414 PolarHBondContact O-N 3.19Å; M411-L422 HydrophobicContact CB-CD2 3.87Å; M411-L434 HydrophobicContact CE-CD1 4.38Å; M411-F436 HydrophobicContact CE-CZ 4.08Å; M411-F509 HydrophobicContact CE-CD2 4.33Å; M411-F509 HydrophobicContact CE-CE2 4.15Å; M411-A510 HydrophobicContact CE-CB 4.2Å; M411-A510 HydrophobicContact CG-CB 4.12Å; M411-A510 HydrophobicContact SD-CB 3.9Å; M411-L511 HydrophobicContact CE-CD2 4.47Å; M411-L514 HydrophobicContact CE-CD1 4.45Å; M411-L514 HydrophobicContact SD-CD1 4Å; M411-L514 HydrophobicContact SD-CD2 4.41Å; M411-L514 HydrophobicContact SD-CG 4.33Å
412	G	93.7	Very high	94.5	Very high	2 Å²	2	45.5 Å²	45.5	2%	0.021	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-11.8	179.2	0	0	0	0	0	115.1	A408 R409 E410	A408-G412 PolarHBondContact O-N 2.8Å; R409-G412 PolarHBondContact O-N 3.37Å; E410-G412 VanDerWaalsContact C-N 3.28Å; E410-G412 PolarHBondContact O-N 2.93Å
413	T	93.9	Very high	94.5	Very high	93 Å²	93	37.9 Å²	37.9	57%	0.571	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-14.8	172.7	68.4	0	0	0	0	113.2	E410 M411 R415	E410-T413 WeakPolarHBondContact O-CB 3.29Å; E410-T413 PolarHBondContact O-N 3.19Å; E410-T413 PolarHBondContact O-OG1 2.84Å; M411-T413 PolarHBondContact O-N 2.9Å; T413-R415 PolarHBondContact O-N 3.24Å
414	W	94.9	Very high	94.6	Very high	12 Å²	12	34.9 Å²	34.9	5%	0.045	17%	0.172	C	C	.	.			trans	-84.5	100.8	-175.7	-56	-21.5	0	0	0	110.6	L407 E410 M411 Y477 L478 V481 L486 F509 A510	L407-W414 HydrophobicContact CD1-CH2 3.92Å; E410-W414 HydrophobicContact CB-CH2 4.5Å; E410-W414 HydrophobicContact CB-CZ2 3.77Å; E410-W414 PolarHBondContact O-NE1 2.59Å; M411-W414 HydrophobicContact CB-CE3 4.28Å; M411-W414 HydrophobicContact CB-CZ3 4.19Å; M411-W414 HydrophobicContact CG-CE3 4.08Å; M411-W414 HydrophobicContact CG-CH2 3.94Å; M411-W414 HydrophobicContact CG-CZ3 3.51Å; M411-W414 PolarHBondContact O-N 3.19Å; W414-Y477 WeakPolarHBondContact CA-OH 3.36Å; W414-Y477 HydrophobicContact CB-CE1 4.12Å; W414-L478 HydrophobicContact CE3-CD2 4.4Å; W414-V481 HydrophobicContact CD2-CB 4.36Å; W414-V481 HydrophobicContact CD2-CG2 3.76Å; W414-V481 HydrophobicContact CE3-CG2 4.26Å; W414-V481 HydrophobicContact CG-CB 4.2Å; W414-V481 HydrophobicContact CG-CG1 4.14Å; W414-V481 HydrophobicContact CG-CG2 4.02Å; W414-V481 HydrophobicContact CZ2-CG2 4.21Å; W414-L486 HydrophobicContact CD2-CD2 4.35Å; W414-L486 HydrophobicContact CE3-CD2 3.7Å; W414-L486 HydrophobicContact CH2-CD1 3.88Å; W414-L486 HydrophobicContact CH2-CD2 3.7Å; W414-L486 HydrophobicContact CH2-CG 4.34Å; W414-L486 HydrophobicContact CZ2-CD2 4.31Å; W414-L486 HydrophobicContact CZ3-CD1 4.01Å; W414-L486 HydrophobicContact CZ3-CD2 3.34Å; W414-L486 HydrophobicContact CZ3-CG 4.32Å; W414-F509 HydrophobicContact CE3-CD2 4.02Å; W414-F509 AromaticContact CE3-CE2 3.88Å; W414-F509 HydrophobicContact CE3-CE2 3.88Å; W414-F509 HydrophobicContact CZ3-CD2 4.11Å; W414-F509 HydrophobicContact CZ3-CE2 4.31Å; W414-A510 HydrophobicContact CZ3-CB 4.14Å
415	R	94.6	Very high	94.7	Very high	85 Å²	85	34.1 Å²	34.1	32%	0.321	17%	0.168	S	C	.	.			trans	-119.2	127.4	-178.2	-60.5	-169.7	-173.8	-75.2	-1.9	111.6	D331 T413 Y477	D331-R415 PolarHBondContact O-NH1 3.12Å; D331-R415 VanDerWaalsContact O-NH1 3.12Å; D331-R415 PolarHBondContact O-NH2 3.4Å; T413-R415 PolarHBondContact O-N 3.24Å; R415-Y477 PolarHBondContact N-OH 3Å; R415-Y477 PolarHBondContact O-OH 3.11Å
416	H	96.5	Very high	94.7	Very high	62 Å²	62	34.1 Å²	34.1	29%	0.287	17%	0.168	S	C	.	.			trans	-156.6	148.3	177	-171.6	-96.2	0	0	0	109.7	N418 V419 Y477	H416-N418 PolarHBondContact CE1-OD1 3.42Å; H416-N418 PolarHBondContact ND1-N 3.02Å; H416-N418 VanDerWaalsContact ND1-N 3.11Å; H416-N418 PolarHBondContact O-N 2.95Å; H416-N418 VanDerWaalsContact O-N 3.16Å; H416-V419 HydrophobicContact CB-CB 4.11Å; H416-V419 HydrophobicContact CB-CG2 3.94Å; H416-V419 PolarHBondContact O-N 3.01Å; H416-V419 VanDerWaalsContact O-N 3.11Å; H416-Y477 HydrophobicContact CB-CD1 3.58Å; H416-Y477 HydrophobicContact CB-CD2 4.15Å; H416-Y477 HydrophobicContact CB-CE1 3.77Å; H416-Y477 HydrophobicContact CB-CE2 4.32Å; H416-Y477 HydrophobicContact CB-CG 3.78Å; H416-Y477 AromaticContact CD2-CD2 3.76Å; H416-Y477 AromaticContact CD2-CG 3.78Å; H416-Y477 AromaticContact CG-CG 3.79Å
417	A	96.7	Very high	94.7	Very high	70 Å²	70	28.1 Å²	28.1	58%	0.579	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.5	-178.8	0	0	0	0	0	112.9	R505	A417-R505 PolarHBondContact O-NE 3.24Å
418	N	98.3	Very high	94.5	Very high	8 Å²	8	27.7 Å²	27.7	4%	0.043	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	24.3	-180	-48.6	105.4	0	0	0	114.5	H416 D470 Q473 G474 A504 R505 V506	H416-N418 PolarHBondContact CE1-OD1 3.42Å; H416-N418 PolarHBondContact ND1-N 3.02Å; H416-N418 VanDerWaalsContact ND1-N 3.11Å; H416-N418 PolarHBondContact O-N 2.95Å; H416-N418 VanDerWaalsContact O-N 3.16Å; N418-D470 WeakPolarHBondContact CB-O 3.48Å; N418-D470 VanDerWaalsContact CG-O 3.26Å; N418-D470 WeakPolarHBondContact ND2-CB 3.36Å; N418-D470 PolarHBondContact ND2-OD1 2.83Å; N418-Q473 PolarHBondContact OD1-OE1 3.18Å; N418-G474 WeakPolarHBondContact O-CA 3.34Å; N418-A504 WeakPolarHBondContact CA-O 3.46Å; N418-A504 WeakPolarHBondContact CB-O 2.94Å; N418-A504 PolarHBondContact ND2-O 3.15Å; N418-R505 CarbonylContact O-C 3.54Å; N418-R505 WeakPolarHBondContact O-CA 3.49Å; N418-V506 PolarHBondContact O-N 3.17Å
419	V	97.9	Very high	94	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-130.7	135.5	173.5	176.8	0	0	0	0	108.5	H416 S421 Y477 L478 F509	H416-V419 HydrophobicContact CB-CB 4.11Å; H416-V419 HydrophobicContact CB-CG2 3.94Å; H416-V419 PolarHBondContact O-N 3.01Å; H416-V419 VanDerWaalsContact O-N 3.11Å; V419-S421 PolarHBondContact O-N 3.34Å; V419-Y477 HydrophobicContact CG2-CD1 3.99Å; V419-L478 HydrophobicContact CG1-CD1 4.49Å; V419-L478 HydrophobicContact CG1-CD2 4.09Å; V419-L478 HydrophobicContact CG1-CG 4.48Å; V419-L478 HydrophobicContact CG2-CD1 4.21Å; V419-L478 HydrophobicContact CG2-CD2 4.32Å; V419-L478 HydrophobicContact CG2-CG 3.96Å; V419-F509 HydrophobicContact CG1-CD1 3.91Å; V419-F509 HydrophobicContact CG1-CE1 3.31Å; V419-F509 HydrophobicContact CG1-CZ 3.77Å
420	V	96.7	Very high	93.7	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.024	17%	0.169	C	C	.	.			trans	-69.9	123.6	177.5	-178.1	0	0	0	0	109.5	F436 D437 V439 L497 R505 V506 F509	V420-F436 HydrophobicContact CG1-CB 4.01Å; V420-F436 HydrophobicContact CG1-CD1 4.07Å; V420-F436 HydrophobicContact CG1-CG 4.46Å; V420-D437 HydrophobicContact CG1-CB 4.17Å; V420-V439 HydrophobicContact CG1-CG2 4.43Å; V420-V439 HydrophobicContact CG2-CG2 4.07Å; V420-L497 HydrophobicContact CG2-CD1 4.22Å; V420-R505 HydrophobicContact CG2-CB 3.76Å; V420-V506 PolarHBondContact N-O 3.2Å; V420-F509 VanDerWaalsContact O-CE1 3.22Å; V420-F509 WeakPolarHBondContact O-CE1 3.07Å; V420-F509 WeakPolarHBondContact O-CZ 3.25Å
421	S	95.1	Very high	93.5	Very high	17 Å²	17	29.5 Å²	29.5	12%	0.119	17%	0.165	C	C	.	.			trans	-80.3	137.6	-173.7	-57.5	0	0	0	0	111.9	V419 F436 D437	V419-S421 PolarHBondContact O-N 3.34Å; S421-F436 WeakPolarHBondContact O-CA 3.27Å; S421-F436 WeakPolarHBondContact O-CD1 3.48Å; S421-D437 VanDerWaalsContact CB-OD2 3.27Å; S421-D437 WeakPolarHBondContact CB-OD2 3.33Å; S421-D437 PolarHBondContact N-OD2 3.22Å; S421-D437 PolarHBondContact O-N 3.36Å; S421-D437 VanDerWaalsContact O-N 3.13Å
422	L	94.9	Very high	93.4	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	114	165.3	-178.5	72.9	0	0	0	108.7	F330 M411 A424 L434 V435 F436	F330-L422 HydrophobicContact CD2-CG 4.49Å; F330-L422 HydrophobicContact CE2-CD2 3.89Å; F330-L422 HydrophobicContact CE2-CG 4.2Å; M411-L422 HydrophobicContact CB-CD2 3.87Å; L422-A424 WeakPolarHBondContact CD1-O 3.32Å; L422-L434 HydrophobicContact CD1-CB 3.77Å; L422-L434 HydrophobicContact CD1-CD2 4.13Å; L422-L434 HydrophobicContact CD1-CG 4.5Å; L422-L434 HydrophobicContact CD2-CD2 4.38Å; L422-V435 CarbonylContact C-O 3.57Å; L422-V435 WeakPolarHBondContact CD1-O 3.49Å; L422-F436 HydrophobicContact CB-CD1 4.13Å; L422-F436 HydrophobicContact CB-CE1 3.84Å; L422-F436 HydrophobicContact CB-CZ 4.37Å; L422-F436 HydrophobicContact CD1-CD1 4.24Å; L422-F436 HydrophobicContact CD1-CD2 4.07Å; L422-F436 HydrophobicContact CD1-CE1 3.95Å; L422-F436 HydrophobicContact CD1-CE2 3.78Å; L422-F436 HydrophobicContact CD1-CG 4.3Å; L422-F436 HydrophobicContact CD1-CZ 3.72Å
423	R	91.6	Very high	93.4	Very high	37 Å²	37	29.9 Å²	29.9	14%	0.14	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-39.1	-179.7	-64.2	-175.2	177.7	-160.9	-6.6	112.9	F330 E383 V435 D437	F330-R423 PolarHBondContact N-O 3.17Å; E383-R423 IonicContact OE1-CZ 3.45Å; E383-R423 IonicContact OE1-NH1 2.67Å; E383-R423 PolarHBondContact OE1-NH1 3.27Å; E383-R423 IonicContact OE1-NH2 3.11Å; E383-R423 IonicContact OE2-NH1 3.6Å; R423-V435 PolarHBondContact N-O 3.14Å; R423-D437 IonicContact CZ-OD1 2.87Å; R423-D437 IonicContact NE-OD1 2.64Å; R423-D437 PolarHBondContact NE-OD1 2.75Å; R423-D437 IonicContact NH2-OD1 2.82Å; R423-D437 PolarHBondContact NH2-OD1 3.44Å
424	A	92.6	Very high	93.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	163.4	-178.6	0	0	0	0	0	111	V328 R329 F337 L422 V435	V328-A424 CarbonylContact O-C 3.4Å; V328-A424 WeakPolarHBondContact O-CA 3.47Å; V328-A424 WeakPolarHBondContact O-CB 3.42Å; R329-A424 HydrophobicContact CG-CB 4.37Å; F337-A424 HydrophobicContact CD1-CB 4.07Å; F337-A424 HydrophobicContact CE1-CB 4.47Å; F337-A424 HydrophobicContact CG-CB 4.17Å; L422-A424 WeakPolarHBondContact CD1-O 3.32Å; A424-V435 HydrophobicContact CB-CB 4.26Å; A424-V435 HydrophobicContact CB-CG2 4.41Å; A424-V435 PolarHBondContact N-O 2.88Å; A424-V435 WeakPolarHBondContact O-CB 3.16Å; A424-V435 PolarHBondContact O-N 2.83Å
425	F	93.5	Very high	93.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	150.5	159.6	73.4	-97.3	0	0	0	111	T327 V328 F330 A408 R409 A427 L432 L433 L434	T327-F425 WeakPolarHBondContact CA-O 3.38Å; V328-F425 HydrophobicContact CB-CD1 3.92Å; V328-F425 HydrophobicContact CB-CE1 3.43Å; V328-F425 VanDerWaalsContact CB-CE1 3.43Å; V328-F425 HydrophobicContact CB-CE2 4.25Å; V328-F425 HydrophobicContact CB-CZ 3.61Å; V328-F425 HydrophobicContact CG1-CE1 3.94Å; V328-F425 HydrophobicContact CG1-CZ 4.41Å; V328-F425 HydrophobicContact CG2-CE1 3.68Å; V328-F425 HydrophobicContact CG2-CE2 3.91Å; V328-F425 HydrophobicContact CG2-CZ 3.3Å; V328-F425 PolarHBondContact N-O 3.05Å; V328-F425 PolarHBondContact O-N 3.21Å; F330-F425 AromaticContact CE2-CD1 3.9Å; F330-F425 HydrophobicContact CE2-CD1 3.9Å; F330-F425 HydrophobicContact CE2-CE1 4.36Å; F330-F425 AromaticContact CZ-CD1 3.92Å; F330-F425 HydrophobicContact CZ-CD1 3.92Å; F330-F425 AromaticContact CZ-CE1 3.93Å; F330-F425 HydrophobicContact CZ-CE1 3.93Å; A408-F425 HydrophobicContact CB-CD1 3.69Å; A408-F425 HydrophobicContact CB-CD2 4.4Å; A408-F425 HydrophobicContact CB-CE1 3.81Å; A408-F425 HydrophobicContact CB-CG 4.01Å; A408-F425 HydrophobicContact CB-CZ 4.24Å; R409-F425 HydrophobicContact CG-CE1 3.74Å; R409-F425 HydrophobicContact CG-CZ 3.87Å; F425-A427 HydrophobicContact CD2-CB 4.05Å; F425-A427 HydrophobicContact CE2-CB 4.03Å; F425-L432 HydrophobicContact CB-CD1 4.3Å; F425-L432 HydrophobicContact CD2-CD1 3.88Å; F425-L432 HydrophobicContact CG-CD1 4.38Å; F425-L433 CarbonylContact C-O 3.59Å; F425-L433 WeakPolarHBondContact CA-O 3.29Å; F425-L433 WeakPolarHBondContact CB-O 3.41Å; F425-L434 HydrophobicContact CB-CD2 3.78Å
426	Y	92.5	Very high	93.3	Very high	22 Å²	22	21.2 Å²	21.2	9%	0.086	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.5	167.4	167.4	-103	0	0	0	109.3	E325 E326 T327 V339 L432 L433	E325-Y426 HydrophobicContact CB-CE2 4Å; E325-Y426 HydrophobicContact CG-CE2 4.34Å; E325-Y426 PolarHBondContact OE1-OH 2.85Å; E325-Y426 PolarHBondContact OE2-OH 2.67Å; E326-Y426 CarbonylContact O-C 3.52Å; E326-Y426 WeakPolarHBondContact O-CA 3.48Å; T327-Y426 WeakPolarHBondContact OG1-CD2 3.44Å; V339-Y426 HydrophobicContact CB-CD2 4.41Å; V339-Y426 HydrophobicContact CG1-CD1 4.17Å; V339-Y426 HydrophobicContact CG1-CD2 4.34Å; V339-Y426 HydrophobicContact CG1-CE1 4.21Å; V339-Y426 HydrophobicContact CG1-CE2 4.33Å; V339-Y426 HydrophobicContact CG1-CG 4.2Å; V339-Y426 HydrophobicContact CG2-CD1 4.41Å; V339-Y426 HydrophobicContact CG2-CD2 3.39Å; V339-Y426 HydrophobicContact CG2-CE2 3.92Å; V339-Y426 HydrophobicContact CG2-CG 3.62Å; Y426-L432 CarbonylContact O-C 3.58Å; Y426-L432 WeakPolarHBondContact O-CA 3.35Å; Y426-L433 HydrophobicContact CD1-CD1 3.82Å; Y426-L433 HydrophobicContact CD1-CG 4.02Å; Y426-L433 PolarHBondContact N-O 2.86Å; Y426-L433 PolarHBondContact O-N 3.5Å
427	A	92.8	Very high	93.1	Very high	3 Å²	3	19.4 Å²	19.4	3%	0.025	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	115.6	-179.4	0	0	0	0	0	110.3	E326 R405 F425 L432	E326-A427 PolarHBondContact N-O 3.43Å; E326-A427 VanDerWaalsContact N-O 3.07Å; E326-A427 PolarHBondContact O-N 2.85Å; R405-A427 HydrophobicContact CG-CB 4.17Å; R405-A427 PolarHBondContact NH1-O 3.01Å; R405-A427 PolarHBondContact NH2-O 3.46Å; F425-A427 HydrophobicContact CD2-CB 4.05Å; F425-A427 HydrophobicContact CE2-CB 4.03Å; A427-L432 HydrophobicContact CB-CD1 3.82Å
428	S	90.1	Very high	92.8	Very high	11 Å²	11	19.9 Å²	19.9	8%	0.077	10%	0.104	C	C	.	.			trans	-102.7	-168.9	174.1	76.5	0	0	0	0	111	R405 D430 E431	R405-S428 PolarHBondContact NH2-O 2.8Å; S428-D430 VanDerWaalsContact C-N 3.27Å; S428-D430 PolarHBondContact OG-N 3.4Å; S428-D430 VanDerWaalsContact OG-N 3.16Å; S428-E431 PolarHBondContact N-O 3.45Å; S428-E431 PolarHBondContact OG-N 3.33Å; S428-E431 VanDerWaalsContact OG-N 3.1Å; S428-E431 PolarHBondContact OG-O 3Å
429	A	84.6	Confident	92.6	Very high	42 Å²	42	20 Å²	20	35%	0.347	11%	0.105	S	C	.	.	S	Bend	trans	-72.9	-21	172.2	0	0	0	0	0	113.2	R392	R392-A429 WeakPolarHBondContact CD-O 3.35Å; R392-A429 PolarHBondContact NH1-O 2.99Å
430	D	87.3	Confident	91.9	Very high	115 Å²	115	22.9 Å²	22.9	62%	0.615	12%	0.124	S	C	*	.	S	Bend	trans	-117.4	-19.3	-168.4	-63.2	-40.6	0	0	0	113.4	R392 S428	R392-D430 VanDerWaalsContact CB-O 3.23Å; R392-D430 WeakPolarHBondContact CB-O 3.28Å; R392-D430 PolarHBondContact N-O 3.2Å; S428-D430 VanDerWaalsContact C-N 3.27Å; S428-D430 PolarHBondContact OG-N 3.4Å; S428-D430 VanDerWaalsContact OG-N 3.16Å
431	E	90.3	Very high	91.4	Very high	35 Å²	35	26.5 Å²	26.5	16%	0.164	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	161	-177.3	62.3	-172.5	159.6	0	0	114.9	R389 M390 S428	R389-E431 IonicContact CZ-OE2 3.76Å; R389-E431 IonicContact NE-OE2 3.57Å; R389-E431 PolarHBondContact NE-OE2 2.92Å; R389-E431 IonicContact NH2-OE1 3.01Å; R389-E431 PolarHBondContact NH2-OE1 3.46Å; R389-E431 IonicContact NH2-OE2 3.18Å; R389-E431 PolarHBondContact NH2-OE2 2.93Å; M390-E431 CarbonylContact O-C 3.6Å; M390-E431 VanDerWaalsContact O-CA 3.32Å; M390-E431 WeakPolarHBondContact O-CA 3.47Å; M390-E431 WeakPolarHBondContact O-CB 3.18Å; S428-E431 PolarHBondContact N-O 3.45Å; S428-E431 PolarHBondContact OG-N 3.33Å; S428-E431 VanDerWaalsContact OG-N 3.1Å; S428-E431 PolarHBondContact OG-O 3Å
432	L	93.2	Very high	91.2	Very high	6 Å²	6	27 Å²	27	3%	0.031	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	122.9	170.9	177	68.4	0	0	0	108.4	M390 F425 Y426 A427 L434 L514	M390-L432 HydrophobicContact CB-CB 4.34Å; M390-L432 PolarHBondContact N-O 2.82Å; M390-L432 PolarHBondContact O-N 2.87Å; M390-L432 HydrophobicContact SD-CD2 4.38Å; F425-L432 HydrophobicContact CB-CD1 4.3Å; F425-L432 HydrophobicContact CD2-CD1 3.88Å; F425-L432 HydrophobicContact CG-CD1 4.38Å; Y426-L432 CarbonylContact O-C 3.58Å; Y426-L432 WeakPolarHBondContact O-CA 3.35Å; A427-L432 HydrophobicContact CB-CD1 3.82Å; L432-L434 HydrophobicContact CD1-CD2 4.23Å; L432-L434 HydrophobicContact CD2-CD2 4.1Å; L432-L434 HydrophobicContact CD2-CG 4.41Å; L432-L434 HydrophobicContact CG-CD2 4.07Å; L432-L434 HydrophobicContact CG-CG 4.3Å; L432-L514 HydrophobicContact CD2-CD1 4.18Å; L432-L514 HydrophobicContact CD2-CD2 4.3Å
433	L	93.6	Very high	91.2	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122.4	171.8	-53.4	-178.5	0	0	0	108.4	L342 M343 V387 K388 R389 F425 Y426	L342-L433 HydrophobicContact CD2-CD1 4.23Å; M343-L433 HydrophobicContact SD-CD1 4.46Å; V387-L433 HydrophobicContact CG1-CB 4.28Å; V387-L433 HydrophobicContact CG1-CD2 4.42Å; K388-L433 WeakPolarHBondContact O-CA 3.3Å; R389-L433 HydrophobicContact CB-CD2 3.71Å; R389-L433 HydrophobicContact CG-CD2 3.57Å; F425-L433 CarbonylContact C-O 3.59Å; F425-L433 WeakPolarHBondContact CA-O 3.29Å; F425-L433 WeakPolarHBondContact CB-O 3.41Å; Y426-L433 HydrophobicContact CD1-CD1 3.82Å; Y426-L433 HydrophobicContact CD1-CG 4.02Å; Y426-L433 PolarHBondContact N-O 2.86Å; Y426-L433 PolarHBondContact O-N 3.5Å
434	L	94.5	Very high	91.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.2	174.2	-58.7	173.5	0	0	0	109.1	V387 K388 M390 A408 M411 L422 F425 L432 F436 L511 L514	V387-L434 CarbonylContact C-O 3.42Å; V387-L434 WeakPolarHBondContact CA-O 3.42Å; K388-L434 HydrophobicContact CB-CB 4.32Å; K388-L434 PolarHBondContact N-O 3.28Å; K388-L434 PolarHBondContact O-N 3.32Å; M390-L434 HydrophobicContact SD-CD1 4.3Å; A408-L434 HydrophobicContact CB-CD2 4.3Å; M411-L434 HydrophobicContact CE-CD1 4.38Å; L422-L434 HydrophobicContact CD1-CB 3.77Å; L422-L434 HydrophobicContact CD1-CD2 4.13Å; L422-L434 HydrophobicContact CD1-CG 4.5Å; L422-L434 HydrophobicContact CD2-CD2 4.38Å; F425-L434 HydrophobicContact CB-CD2 3.78Å; L432-L434 HydrophobicContact CD1-CD2 4.23Å; L432-L434 HydrophobicContact CD2-CD2 4.1Å; L432-L434 HydrophobicContact CD2-CG 4.41Å; L432-L434 HydrophobicContact CG-CD2 4.07Å; L432-L434 HydrophobicContact CG-CG 4.3Å; L434-F436 HydrophobicContact CB-CD2 4.16Å; L434-F436 HydrophobicContact CB-CE2 3.55Å; L434-F436 HydrophobicContact CB-CZ 4.38Å; L434-F436 HydrophobicContact CD1-CE2 4.12Å; L434-F436 HydrophobicContact CD1-CZ 4.44Å; L434-F436 HydrophobicContact CG-CE2 4.47Å; L434-L511 HydrophobicContact CD1-CD2 3.57Å; L434-L514 HydrophobicContact CD1-CD1 3.66Å
435	V	92.8	Very high	91.4	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.018	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	112.1	-174.9	-172.8	0	0	0	0	109.2	F337 L342 V385 V386 L422 R423 A424	F337-V435 HydrophobicContact CD2-CG2 4.31Å; F337-V435 HydrophobicContact CE1-CG2 4.48Å; F337-V435 HydrophobicContact CE2-CB 4.47Å; F337-V435 HydrophobicContact CE2-CG1 4.36Å; F337-V435 HydrophobicContact CE2-CG2 3.5Å; F337-V435 HydrophobicContact CZ-CG2 3.61Å; L342-V435 HydrophobicContact CD2-CG2 4.27Å; V385-V435 HydrophobicContact CB-CG1 3.9Å; V385-V435 HydrophobicContact CG1-CG1 4.21Å; V385-V435 HydrophobicContact CG2-CG1 3.98Å; V386-V435 CarbonylContact O-C 3.58Å; V386-V435 WeakPolarHBondContact O-CA 3.24Å; L422-V435 CarbonylContact C-O 3.57Å; L422-V435 WeakPolarHBondContact CD1-O 3.49Å; R423-V435 PolarHBondContact N-O 3.14Å; A424-V435 HydrophobicContact CB-CB 4.26Å; A424-V435 HydrophobicContact CB-CG2 4.41Å; A424-V435 PolarHBondContact N-O 2.88Å; A424-V435 WeakPolarHBondContact O-CB 3.16Å; A424-V435 PolarHBondContact O-N 2.83Å
436	F	94	Very high	91.1	Very high	6 Å²	6	28.7 Å²	28.7	3%	0.026	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	160.9	-178	-70	-90	0	0	0	111.7	V386 K388 M411 V420 S421 L422 L434 Y438 F509	V386-F436 HydrophobicContact CB-CB 4.33Å; V386-F436 PolarHBondContact N-O 3.01Å; V386-F436 PolarHBondContact O-N 3.46Å; K388-F436 HydrophobicContact CD-CD2 4.29Å; K388-F436 HydrophobicContact CD-CE2 4.02Å; M411-F436 HydrophobicContact CE-CZ 4.08Å; V420-F436 HydrophobicContact CG1-CB 4.01Å; V420-F436 HydrophobicContact CG1-CD1 4.07Å; V420-F436 HydrophobicContact CG1-CG 4.46Å; S421-F436 WeakPolarHBondContact O-CA 3.27Å; S421-F436 WeakPolarHBondContact O-CD1 3.48Å; L422-F436 HydrophobicContact CB-CD1 4.13Å; L422-F436 HydrophobicContact CB-CE1 3.84Å; L422-F436 HydrophobicContact CB-CZ 4.37Å; L422-F436 HydrophobicContact CD1-CD1 4.24Å; L422-F436 HydrophobicContact CD1-CD2 4.07Å; L422-F436 HydrophobicContact CD1-CE1 3.95Å; L422-F436 HydrophobicContact CD1-CE2 3.78Å; L422-F436 HydrophobicContact CD1-CG 4.3Å; L422-F436 HydrophobicContact CD1-CZ 3.72Å; L434-F436 HydrophobicContact CB-CD2 4.16Å; L434-F436 HydrophobicContact CB-CE2 3.55Å; L434-F436 HydrophobicContact CB-CZ 4.38Å; L434-F436 HydrophobicContact CD1-CE2 4.12Å; L434-F436 HydrophobicContact CD1-CZ 4.44Å; L434-F436 HydrophobicContact CG-CE2 4.47Å; F436-Y438 PolarHBondContact O-N 3.24Å; F436-F509 HydrophobicContact CE1-CE1 4.38Å; F436-F509 HydrophobicContact CE1-CZ 4.03Å
437	D	92.2	Very high	90.9	Very high	24 Å²	24	30 Å²	30	13%	0.128	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52	137	164.7	-69.1	-39.2	0	0	0	111	V420 S421 R423	V420-D437 HydrophobicContact CG1-CB 4.17Å; S421-D437 VanDerWaalsContact CB-OD2 3.27Å; S421-D437 WeakPolarHBondContact CB-OD2 3.33Å; S421-D437 PolarHBondContact N-OD2 3.22Å; S421-D437 PolarHBondContact O-N 3.36Å; S421-D437 VanDerWaalsContact O-N 3.13Å; R423-D437 IonicContact CZ-OD1 2.87Å; R423-D437 IonicContact NE-OD1 2.64Å; R423-D437 PolarHBondContact NE-OD1 2.75Å; R423-D437 IonicContact NH2-OD1 2.82Å; R423-D437 PolarHBondContact NH2-OD1 3.44Å
438	Y	91.1	Very high	90.7	Very high	79 Å²	79	29.9 Å²	29.9	31%	0.31	17%	0.172	S	C	.	.			trans	-79.1	131	164.5	178.2	-110.3	0	0	0	110.4	R360 V384 V386 F436 P440	R360-Y438 HydrophobicContact CG-CD2 4.27Å; R360-Y438 HydrophobicContact CG-CE2 4.08Å; V384-Y438 HydrophobicContact CB-CD1 3.94Å; V384-Y438 HydrophobicContact CB-CG 4.08Å; V384-Y438 HydrophobicContact CG1-CD1 3.7Å; V384-Y438 HydrophobicContact CG1-CD2 3.91Å; V384-Y438 HydrophobicContact CG1-CE1 4.21Å; V384-Y438 HydrophobicContact CG1-CE2 4.4Å; V384-Y438 HydrophobicContact CG1-CG 3.53Å; V384-Y438 WeakPolarHBondContact O-CB 3.17Å; V386-Y438 HydrophobicContact CG2-CD2 3.88Å; F436-Y438 PolarHBondContact O-N 3.24Å; Y438-P440 HydrophobicContact CD1-CB 4.4Å; Y438-P440 HydrophobicContact CE1-CB 3.8Å
439	V	93.4	Very high	90.4	Very high	10 Å²	10	30.7 Å²	30.7	6%	0.061	18%	0.175	C	C	.	.			trans	-114.7	109.4	-179.3	-178.6	0	0	0	0	108.2	V420 L497 V498 D499	V420-V439 HydrophobicContact CG1-CG2 4.43Å; V420-V439 HydrophobicContact CG2-CG2 4.07Å; V439-L497 HydrophobicContact CB-CB 3.85Å; V439-L497 HydrophobicContact CB-CD1 3.89Å; V439-L497 HydrophobicContact CG1-CB 3.53Å; V439-L497 HydrophobicContact CG2-CB 4.25Å; V439-L497 HydrophobicContact CG2-CD1 4.06Å; V439-V498 WeakPolarHBondContact CG1-O 3.13Å; V439-D499 HydrophobicContact CG1-CB 4.28Å
440	P	83.3	Confident	89.9	Confident	62 Å²	62	33.3 Å²	33.3	40%	0.403	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-27.5	-159.6	27.8	-35.8	0	0	0	115.7	Y438 G442 A500	Y438-P440 HydrophobicContact CD1-CB 4.4Å; Y438-P440 HydrophobicContact CE1-CB 3.8Å; P440-G442 PolarHBondContact O-N 2.85Å; P440-A500 HydrophobicContact CG-CB 4.13Å
441	N	86.5	Confident	88.4	Confident	79 Å²	79	34.5 Å²	34.5	42%	0.422	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	12.6	-175.1	-59.4	-27	0	0	0	113.2	V498 D499	N441-V498 HydrophobicContact CB-CB 4.2Å; N441-V498 HydrophobicContact CB-CG1 4.37Å; N441-V498 VanDerWaalsContact CB-O 3.24Å; N441-V498 WeakPolarHBondContact CB-O 3.41Å; N441-V498 PolarHBondContact N-O 2.84Å; N441-D499 PolarHBondContact ND2-O 3.16Å
442	G	90.2	Very high	86.9	Confident	29 Å²	29	37.4 Å²	37.4	30%	0.299	20%	0.196	S	C	.	.			trans	70.7	-155.7	176.6	0	0	0	0	0	113.3	P440 L497 V498	P440-G442 PolarHBondContact O-N 2.85Å; G442-L497 CarbonylContact O-C 3.51Å; G442-L497 VanDerWaalsContact O-CA 3.29Å; G442-L497 WeakPolarHBondContact O-CA 3.34Å; G442-V498 PolarHBondContact O-N 3.49Å
443	S	94.7	Very high	84.9	Confident	12 Å²	12	39 Å²	39	8%	0.084	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-95.7	155.8	-175.5	77.2	0	0	0	0	112.8	H445 S446 L447 S494 I496	S443-H445 PolarHBondContact O-N 3.32Å; S443-H445 PolarHBondContact OG-N 3.26Å; S443-S446 PolarHBondContact O-N 3.16Å; S443-S446 PolarHBondContact OG-N 3.12Å; S443-S446 VanDerWaalsContact OG-N 3.11Å; S443-S446 PolarHBondContact OG-OG 3.01Å; S443-L447 WeakPolarHBondContact O-CG 3.18Å; S443-L447 PolarHBondContact O-N 2.97Å; S443-S494 WeakPolarHBondContact CB-O 3.28Å; S443-I496 CarbonylContact C-O 3.53Å; S443-I496 WeakPolarHBondContact CA-O 3.21Å
444	L	95.9	Very high	82.7	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-57.4	-36.5	170.7	175.2	64.9	0	0	0	111.2	L447 L448 L459 L467 S493 I496 V536 I540	L444-L447 PolarHBondContact O-N 3.36Å; L444-L448 HydrophobicContact CD1-CD1 3.8Å; L444-L448 HydrophobicContact CD1-CG 3.9Å; L444-L448 HydrophobicContact CD2-CD1 4.37Å; L444-L448 HydrophobicContact CG-CD1 3.77Å; L444-L448 HydrophobicContact CG-CG 4.27Å; L444-L448 WeakPolarHBondContact O-CB 3.2Å; L444-L448 WeakPolarHBondContact O-CG 3.27Å; L444-L448 PolarHBondContact O-N 3.3Å; L444-L459 HydrophobicContact CD1-CD1 4.42Å; L444-L467 HydrophobicContact CD1-CD1 3.89Å; L444-S493 WeakPolarHBondContact CB-O 3.29Å; L444-S493 PolarHBondContact N-O 2.97Å; L444-I496 HydrophobicContact CB-CB 4.17Å; L444-I496 HydrophobicContact CB-CG2 4.15Å; L444-I496 HydrophobicContact CD2-CD1 4.33Å; L444-I496 HydrophobicContact CD2-CG2 4.3Å; L444-I496 PolarHBondContact N-O 2.79Å; L444-V536 HydrophobicContact CD2-CG1 3.88Å; L444-I540 HydrophobicContact CD2-CD1 3.88Å; L444-I540 HydrophobicContact CD2-CG1 3.95Å
445	H	93.1	Very high	80.6	Confident	30 Å²	30	50.5 Å²	50.5	14%	0.139	30%	0.297	C	S	.	.	H	α-helix	trans	-57.3	-51.3	174.6	-175.1	87.6	0	0	0	111.6	S443 L447 L448 H449 S493 E539	S443-H445 PolarHBondContact O-N 3.32Å; S443-H445 PolarHBondContact OG-N 3.26Å; H445-L447 VanDerWaalsContact C-N 3.31Å; H445-L447 PolarHBondContact O-N 3.24Å; H445-L448 PolarHBondContact O-N 3.05Å; H445-L448 VanDerWaalsContact O-N 3.14Å; H445-H449 AromaticContact CE1-CD2 3.76Å; H445-H449 AromaticContact ND1-CD2 3.57Å; H445-H449 PolarHBondContact O-CD2 2.91Å; H445-H449 PolarHBondContact O-N 2.68Å; H445-S493 WeakPolarHBondContact CB-OG 3.27Å; H445-S493 PolarHBondContact N-O 3.25Å; H445-S493 PolarHBondContact ND1-OG 2.94Å; H445-E539 IonicContact ND1-OE1 2.92Å; H445-E539 PolarHBondContact ND1-OE1 3.1Å
446	S	87.2	Confident	79.2	Confident	30 Å²	30	52.7 Å²	52.7	21%	0.21	31%	0.305	C	S	.	.	H	α-helix	trans	-59.4	-44.9	178.2	-53.1	0	0	0	0	110.7	S443 L448 E450	S443-S446 PolarHBondContact O-N 3.16Å; S443-S446 PolarHBondContact OG-N 3.12Å; S443-S446 VanDerWaalsContact OG-N 3.11Å; S443-S446 PolarHBondContact OG-OG 3.01Å; S446-L448 VanDerWaalsContact C-N 3.3Å; S446-L448 PolarHBondContact O-N 3.17Å; S446-E450 WeakPolarHBondContact CA-OE1 3.38Å; S446-E450 WeakPolarHBondContact CB-OE1 3.42Å; S446-E450 WeakPolarHBondContact O-CB 3.37Å; S446-E450 PolarHBondContact O-N 2.98Å; S446-E450 VanDerWaalsContact OG-CD 3.31Å; S446-E450 PolarHBondContact OG-OE1 2.74Å
447	L	88.8	Confident	78.1	Confident	50 Å²	50	58.5 Å²	58.5	26%	0.262	34%	0.34	S	S	.	.	H	α-helix	trans	-66	-28.3	178	-66.8	174.4	0	0	0	113.7	S443 L444 H445 R456 L459 V498	S443-L447 WeakPolarHBondContact O-CG 3.18Å; S443-L447 PolarHBondContact O-N 2.97Å; L444-L447 PolarHBondContact O-N 3.36Å; H445-L447 VanDerWaalsContact C-N 3.31Å; H445-L447 PolarHBondContact O-N 3.24Å; L447-R456 PolarHBondContact O-NE 3.43Å; L447-R456 PolarHBondContact O-NH2 3.27Å; L447-L459 HydrophobicContact CB-CD1 3.98Å; L447-V498 HydrophobicContact CD1-CB 3.94Å; L447-V498 HydrophobicContact CD1-CG1 4.38Å; L447-V498 HydrophobicContact CD1-CG2 3.52Å
448	L	88.6	Confident	77.3	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-88.6	-35.7	179.4	-73.8	174	0	0	0	113.2	L444 H445 S446 R452 L459 E539 I540	L444-L448 HydrophobicContact CD1-CD1 3.8Å; L444-L448 HydrophobicContact CD1-CG 3.9Å; L444-L448 HydrophobicContact CD2-CD1 4.37Å; L444-L448 HydrophobicContact CG-CD1 3.77Å; L444-L448 HydrophobicContact CG-CG 4.27Å; L444-L448 WeakPolarHBondContact O-CB 3.2Å; L444-L448 WeakPolarHBondContact O-CG 3.27Å; L444-L448 PolarHBondContact O-N 3.3Å; H445-L448 PolarHBondContact O-N 3.05Å; H445-L448 VanDerWaalsContact O-N 3.14Å; S446-L448 VanDerWaalsContact C-N 3.3Å; S446-L448 PolarHBondContact O-N 3.17Å; L448-R452 VanDerWaalsContact O-CZ 3.23Å; L448-R452 PolarHBondContact O-NE 3.24Å; L448-R452 PolarHBondContact O-NH2 2.86Å; L448-L459 HydrophobicContact CD2-CD1 4.07Å; L448-E539 HydrophobicContact CD1-CG 4Å; L448-I540 HydrophobicContact CD1-CG1 4.09Å
449	H	83.7	Confident	77	Confident	27 Å²	27	57.3 Å²	57.3	13%	0.125	34%	0.342	C	S	.	.	H	α-helix	trans	-121.2	-30.5	-165.2	-56.2	-60.3	0	0	0	114.7	H445 E539 G543 R544 S545	H445-H449 AromaticContact CE1-CD2 3.76Å; H445-H449 AromaticContact ND1-CD2 3.57Å; H445-H449 PolarHBondContact O-CD2 2.91Å; H445-H449 PolarHBondContact O-N 2.68Å; H449-E539 IonicContact CD2-OE1 2.72Å; H449-E539 PolarHBondContact CD2-OE1 2.96Å; H449-E539 WeakPolarHBondContact NE2-CG 3.39Å; H449-E539 IonicContact NE2-OE1 3.35Å; H449-E539 PolarHBondContact NE2-OE1 3.32Å; H449-G543 PolarHBondContact CE1-O 3.44Å; H449-G543 VanDerWaalsContact CE1-O 3.3Å; H449-G543 PolarHBondContact ND1-O 2.88Å; H449-R544 VanDerWaalsContact CE1-C 3.43Å; H449-S545 PolarHBondContact CE1-N 3.11Å; H449-S545 VanDerWaalsContact CE1-N 3.26Å
450	E	72.7	Confident	76.8	Confident	98 Å²	98	63 Å²	63	46%	0.458	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	140.3	-178.9	-68.5	172.7	-150.2	0	0	111	S446 R452	S446-E450 WeakPolarHBondContact CA-OE1 3.38Å; S446-E450 WeakPolarHBondContact CB-OE1 3.42Å; S446-E450 WeakPolarHBondContact O-CB 3.37Å; S446-E450 PolarHBondContact O-N 2.98Å; S446-E450 VanDerWaalsContact OG-CD 3.31Å; S446-E450 PolarHBondContact OG-OE1 2.74Å; E450-R452 PolarHBondContact O-N 2.96Å
451	N	56	Low	77.2	Confident	139 Å²	139	60.2 Å²	60.2	74%	0.743	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	47.7	174.2	-60.9	-36.5	0	0	0	114.8	G453 R456	N451-G453 PolarHBondContact O-N 3.19Å; N451-R456 VanDerWaalsContact O-CB 3.26Å; N451-R456 WeakPolarHBondContact O-CB 3.36Å; N451-R456 WeakPolarHBondContact O-CD 3.41Å
452	R	59.7	Low	77.5	Confident	97 Å²	97	61 Å²	61	37%	0.366	35%	0.351	S	S	.	.			trans	-66.2	35.1	170.2	-70.7	-171.4	168.4	-130.5	-8.1	114.4	L448 E450 G543 D571	L448-R452 VanDerWaalsContact O-CZ 3.23Å; L448-R452 PolarHBondContact O-NE 3.24Å; L448-R452 PolarHBondContact O-NH2 2.86Å; E450-R452 PolarHBondContact O-N 2.96Å; R452-G543 VanDerWaalsContact CZ-O 3.25Å; R452-G543 PolarHBondContact NH2-O 3.26Å; R452-D571 IonicContact CZ-OD2 2.65Å; R452-D571 IonicContact NH1-OD1 2.62Å; R452-D571 IonicContact NH1-OD2 3.66Å; R452-D571 IonicContact NH2-OD2 3.96Å; R452-D571 PolarHBondContact NH2-OD2 3.44Å; R452-D571 VanDerWaalsContact NH2-OD2 3.14Å
453	G	51.1	Low	77.6	Confident	38 Å²	38	62.4 Å²	62.4	39%	0.392	35%	0.353	S	S	.	.	S	Bend	trans	-81.8	168.6	173.4	0	0	0	0	0	112.6	N451 A455 R456	N451-G453 PolarHBondContact O-N 3.19Å; G453-A455 PolarHBondContact O-N 2.89Å; G453-A455 VanDerWaalsContact O-N 3.08Å; G453-R456 PolarHBondContact O-N 2.98Å; G453-R456 VanDerWaalsContact O-N 3.14Å
454	P	46.3	Very low	77.7	Confident	146 Å²	146	61.9 Å²	61.9	95%	0.948	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.1	-174.2	23.7	-32.9	0	0	0	115.3
455	A	50.7	Low	77.7	Confident	101 Å²	101	61.8 Å²	61.8	84%	0.835	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-9.1	178.3	0	0	0	0	0	114.1	G453	G453-A455 PolarHBondContact O-N 2.89Å; G453-A455 VanDerWaalsContact O-N 3.08Å
456	R	64.2	Low	77.9	Confident	48 Å²	48	63.4 Å²	63.4	18%	0.181	36%	0.356	C	S	.	.	S	Bend	trans	-77.3	135.6	177.9	171.7	176.1	163.3	-93.5	-0.2	109.7	L447 N451 G453 P458 E573	L447-R456 PolarHBondContact O-NE 3.43Å; L447-R456 PolarHBondContact O-NH2 3.27Å; N451-R456 VanDerWaalsContact O-CB 3.26Å; N451-R456 WeakPolarHBondContact O-CB 3.36Å; N451-R456 WeakPolarHBondContact O-CD 3.41Å; G453-R456 PolarHBondContact O-N 2.98Å; G453-R456 VanDerWaalsContact O-N 3.14Å; R456-P458 VanDerWaalsContact O-CD 3.29Å; R456-P458 WeakPolarHBondContact O-CD 3.49Å; R456-E573 IonicContact CZ-OE2 3.9Å; R456-E573 IonicContact NH1-OE1 2.78Å; R456-E573 PolarHBondContact NH1-OE1 3.03Å; R456-E573 IonicContact NH1-OE2 2.88Å; R456-E573 PolarHBondContact NH1-OE2 3.23Å; R456-E573 VanDerWaalsContact NH1-OE2 3.09Å; R456-E573 IonicContact NH2-OE2 3.67Å
457	V	71.5	Confident	78.4	Confident	128 Å²	128	62 Å²	62	78%	0.776	35%	0.346	S	S	*	.			trans	-81.2	114.7	167.2	-178	0	0	0	0	108.2
458	P	74.9	Confident	78.9	Confident	51 Å²	51	59.7 Å²	59.7	33%	0.331	33%	0.334	S	S	.	.			trans	-63.3	148.9	177.6	-24.3	37.1	0	0	0	112.3	R456 E460 E573	R456-P458 VanDerWaalsContact O-CD 3.29Å; R456-P458 WeakPolarHBondContact O-CD 3.49Å; P458-E460 PolarHBondContact O-N 2.98Å; P458-E460 VanDerWaalsContact O-N 3.16Å; P458-E573 HydrophobicContact CB-CB 3.89Å; P458-E573 HydrophobicContact CB-CG 4.06Å; P458-E573 WeakPolarHBondContact CB-OE2 3.48Å; P458-E573 HydrophobicContact CG-CB 4.36Å; P458-E573 HydrophobicContact CG-CG 4.14Å
459	L	84.9	Confident	79.3	Confident	27 Å²	27	59.7 Å²	59.7	14%	0.141	33%	0.334	C	S	.	.			trans	-66.3	115.7	168.1	-66.9	-176.9	0	0	0	109.7	L444 L447 L448 T463 R464 L467	L444-L459 HydrophobicContact CD1-CD1 4.42Å; L447-L459 HydrophobicContact CB-CD1 3.98Å; L448-L459 HydrophobicContact CD2-CD1 4.07Å; L459-T463 HydrophobicContact CD2-CG2 4.04Å; L459-R464 HydrophobicContact CB-CG 3.76Å; L459-R464 HydrophobicContact CD1-CG 4.44Å; L459-R464 PolarHBondContact O-NE 2.98Å; L459-R464 PolarHBondContact O-NH2 3.44Å; L459-L467 HydrophobicContact CD1-CD1 4.03Å
460	E	88.1	Confident	80.1	Confident	130 Å²	130	58.9 Å²	58.9	61%	0.607	33%	0.331	S	S	*	.			trans	-63.9	159.5	172.6	-62.2	-170.4	162.7	0	0	111.8	P458 Q462 T463 R464	P458-E460 PolarHBondContact O-N 2.98Å; P458-E460 VanDerWaalsContact O-N 3.16Å; E460-Q462 VanDerWaalsContact C-N 3.32Å; E460-Q462 PolarHBondContact O-N 3.25Å; E460-T463 PolarHBondContact O-N 2.93Å; E460-R464 WeakPolarHBondContact O-CG 3.31Å; E460-R464 PolarHBondContact O-N 2.89Å
461	W	92.3	Very high	81.3	Confident	3 Å²	3	54.3 Å²	54.3	1%	0.011	31%	0.31	C	S	.	.	H	α-helix	trans	-53.3	-46.2	-178.3	171.8	-111.5	0	0	0	113.4	T463 R464 L465 L541 L574 A581 E584 M585 L588	W461-T463 VanDerWaalsContact C-N 3.3Å; W461-T463 PolarHBondContact O-N 3.44Å; W461-R464 HydrophobicContact CE3-CB 4.44Å; W461-R464 WeakPolarHBondContact O-CB 3.18Å; W461-R464 PolarHBondContact O-N 2.76Å; W461-R464 VanDerWaalsContact O-N 3.12Å; W461-L465 HydrophobicContact CH2-CB 4.42Å; W461-L465 HydrophobicContact CH2-CD1 4.31Å; W461-L465 HydrophobicContact CZ2-CB 4.06Å; W461-L465 HydrophobicContact CZ2-CD1 4.05Å; W461-L465 HydrophobicContact CZ2-CD2 4.07Å; W461-L465 HydrophobicContact CZ2-CG 4.28Å; W461-L465 PolarHBondContact O-N 3.45Å; W461-L541 HydrophobicContact CH2-CD2 3.88Å; W461-L541 HydrophobicContact CZ3-CD2 3.67Å; W461-L574 HydrophobicContact CB-CD2 4Å; W461-L574 HydrophobicContact CE3-CD1 4.2Å; W461-L574 HydrophobicContact CE3-CD2 4.42Å; W461-A581 HydrophobicContact CB-CB 4.45Å; W461-A581 HydrophobicContact CD2-CB 4.45Å; W461-A581 HydrophobicContact CG-CB 3.77Å; W461-E584 HydrophobicContact CZ2-CB 3.73Å; W461-E584 PolarHBondContact NE1-OE2 3.33Å; W461-M585 HydrophobicContact CB-CE 3.65Å; W461-M585 HydrophobicContact CD2-CE 3.6Å; W461-M585 HydrophobicContact CD2-CG 3.67Å; W461-M585 HydrophobicContact CE3-CE 3.79Å; W461-M585 HydrophobicContact CE3-CG 3.61Å; W461-M585 HydrophobicContact CE3-SD 4.49Å; W461-M585 HydrophobicContact CG-CE 3.54Å; W461-M585 HydrophobicContact CG-CG 4.46Å; W461-M585 HydrophobicContact CH2-CB 4.13Å; W461-M585 HydrophobicContact CH2-CG 3.71Å; W461-M585 HydrophobicContact CZ2-CB 4.34Å; W461-M585 HydrophobicContact CZ2-CG 3.76Å; W461-M585 HydrophobicContact CZ3-CB 4.37Å; W461-M585 HydrophobicContact CZ3-CG 3.65Å; W461-L588 HydrophobicContact CH2-CB 4.06Å; W461-L588 HydrophobicContact CH2-CD2 3.61Å; W461-L588 HydrophobicContact CH2-CG 4.48Å; W461-L588 HydrophobicContact CZ3-CD2 4.14Å
462	Q	92.1	Very high	83.3	Confident	96 Å²	96	47.7 Å²	47.7	45%	0.449	27%	0.274	S	S	.	.	H	α-helix	trans	-64.8	-38.6	-174.4	-157.9	62.8	30	0	0	111.9	E460 K466	E460-Q462 VanDerWaalsContact C-N 3.32Å; E460-Q462 PolarHBondContact O-N 3.25Å; Q462-K466 WeakPolarHBondContact O-CB 3.35Å; Q462-K466 PolarHBondContact O-N 2.97Å
463	T	93.1	Very high	85.2	Confident	58 Å²	58	46 Å²	46	36%	0.356	27%	0.27	S	S	.	.	H	α-helix	trans	-64.9	-44.7	173.8	-52.7	0	0	0	0	110.6	L459 E460 W461 L465 K466 L467	L459-T463 HydrophobicContact CD2-CG2 4.04Å; E460-T463 PolarHBondContact O-N 2.93Å; W461-T463 VanDerWaalsContact C-N 3.3Å; W461-T463 PolarHBondContact O-N 3.44Å; T463-L465 PolarHBondContact O-N 3.4Å; T463-K466 PolarHBondContact O-N 3.02Å; T463-L467 HydrophobicContact CG2-CD1 4.21Å; T463-L467 VanDerWaalsContact O-CG 3.28Å; T463-L467 WeakPolarHBondContact O-CG 3.45Å; T463-L467 PolarHBondContact O-N 2.84Å
464	R	95.7	Very high	87.4	Confident	1 Å²	1	44.1 Å²	44.1	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-59.4	-46.5	176	-72.8	-163.5	-156.9	-156.7	-0.8	112.6	L459 E460 W461 L467 A468 I540 D571 E573	L459-R464 HydrophobicContact CB-CG 3.76Å; L459-R464 HydrophobicContact CD1-CG 4.44Å; L459-R464 PolarHBondContact O-NE 2.98Å; L459-R464 PolarHBondContact O-NH2 3.44Å; E460-R464 WeakPolarHBondContact O-CG 3.31Å; E460-R464 PolarHBondContact O-N 2.89Å; W461-R464 HydrophobicContact CE3-CB 4.44Å; W461-R464 WeakPolarHBondContact O-CB 3.18Å; W461-R464 PolarHBondContact O-N 2.76Å; W461-R464 VanDerWaalsContact O-N 3.12Å; R464-L467 PolarHBondContact O-N 3.35Å; R464-A468 PolarHBondContact O-N 3.44Å; R464-I540 HydrophobicContact CB-CG2 3.67Å; R464-I540 VanDerWaalsContact CD-O 3.31Å; R464-I540 WeakPolarHBondContact CD-O 3.41Å; R464-I540 HydrophobicContact CG-CG2 4.2Å; R464-I540 PolarHBondContact NH1-O 3.17Å; R464-D571 IonicContact CZ-OD2 3.05Å; R464-D571 IonicContact NH1-OD2 3.66Å; R464-D571 PolarHBondContact NH1-OD2 3.47Å; R464-D571 IonicContact NH2-OD2 3.99Å; R464-D571 PolarHBondContact NH2-OD2 2.68Å; R464-E573 IonicContact NH2-OE2 3.12Å; R464-E573 PolarHBondContact NH2-OE2 3.14Å
465	L	96.8	Very high	89.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-40.3	178.1	-178.4	61.4	0	0	0	111.7	W461 T463 A468 Q469 L588 I613 I616 R617	W461-L465 HydrophobicContact CH2-CB 4.42Å; W461-L465 HydrophobicContact CH2-CD1 4.31Å; W461-L465 HydrophobicContact CZ2-CB 4.06Å; W461-L465 HydrophobicContact CZ2-CD1 4.05Å; W461-L465 HydrophobicContact CZ2-CD2 4.07Å; W461-L465 HydrophobicContact CZ2-CG 4.28Å; W461-L465 PolarHBondContact O-N 3.45Å; T463-L465 PolarHBondContact O-N 3.4Å; L465-A468 PolarHBondContact O-N 3.45Å; L465-Q469 PolarHBondContact O-N 3.48Å; L465-L588 HydrophobicContact CD1-CD1 4.34Å; L465-L588 HydrophobicContact CD1-CD2 4.11Å; L465-I613 HydrophobicContact CD1-CG2 4Å; L465-I616 HydrophobicContact CD1-CG2 4.34Å; L465-I616 HydrophobicContact CD2-CG2 4.39Å; L465-R617 HydrophobicContact CD2-CB 4.06Å; L465-R617 HydrophobicContact CD2-CG 4.33Å
466	K	97.2	Very high	92.1	Very high	63 Å²	63	33.3 Å²	33.3	27%	0.274	17%	0.174	S	C	.	.	H	α-helix	trans	-62	-48.3	174.6	177.8	175.6	178.3	-61.2	0	111.8	Q462 T463 A468 Q469 D470 G502 N503	Q462-K466 WeakPolarHBondContact O-CB 3.35Å; Q462-K466 PolarHBondContact O-N 2.97Å; T463-K466 PolarHBondContact O-N 3.02Å; K466-A468 VanDerWaalsContact C-N 3.3Å; K466-A468 PolarHBondContact O-N 3.27Å; K466-Q469 WeakPolarHBondContact O-CB 3.36Å; K466-Q469 PolarHBondContact O-N 3.08Å; K466-Q469 VanDerWaalsContact O-N 3.15Å; K466-D470 IonicContact NZ-OD2 3.74Å; K466-D470 PolarHBondContact NZ-OD2 3.22Å; K466-D470 WeakPolarHBondContact O-CB 3.49Å; K466-D470 VanDerWaalsContact O-CG 3.31Å; K466-D470 PolarHBondContact O-N 2.9Å; K466-G502 PolarHBondContact NZ-O 2.73Å; K466-N503 PolarHBondContact NZ-OD1 3.17Å
467	L	98.2	Very high	93.7	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-62	-38.7	178.5	-66.2	173	0	0	0	111.9	L444 L459 T463 R464 A471 V498 A504	L444-L467 HydrophobicContact CD1-CD1 3.89Å; L459-L467 HydrophobicContact CD1-CD1 4.03Å; T463-L467 HydrophobicContact CG2-CD1 4.21Å; T463-L467 VanDerWaalsContact O-CG 3.28Å; T463-L467 WeakPolarHBondContact O-CG 3.45Å; T463-L467 PolarHBondContact O-N 2.84Å; R464-L467 PolarHBondContact O-N 3.35Å; L467-A471 WeakPolarHBondContact O-CB 3.26Å; L467-A471 PolarHBondContact O-N 3.5Å; L467-V498 HydrophobicContact CD1-CG2 4.37Å; L467-V498 HydrophobicContact CD2-CG1 4.03Å; L467-V498 HydrophobicContact CD2-CG2 3.79Å; L467-A504 HydrophobicContact CB-CB 4.27Å; L467-A504 HydrophobicContact CD2-CB 3.78Å; L467-A504 WeakPolarHBondContact O-CB 3.37Å
468	A	98.4	Very high	94.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.4	-45.3	173.2	0	0	0	0	0	112	R464 L465 K466 A472 F533 L537 I540 L588	R464-A468 PolarHBondContact O-N 3.44Å; L465-A468 PolarHBondContact O-N 3.45Å; K466-A468 VanDerWaalsContact C-N 3.3Å; K466-A468 PolarHBondContact O-N 3.27Å; A468-A472 WeakPolarHBondContact O-CB 3.34Å; A468-A472 PolarHBondContact O-N 2.88Å; A468-F533 WeakPolarHBondContact O-CZ 3.13Å; A468-L537 HydrophobicContact CB-CD2 3.7Å; A468-I540 HydrophobicContact CB-CD1 3.81Å; A468-L588 HydrophobicContact CB-CD2 4.4Å
469	Q	98.4	Very high	95.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.8	-49.5	178.3	-175.4	-177.9	7.7	0	0	112.3	L465 K466 A471 A472 Q473 I613 R617	L465-Q469 PolarHBondContact O-N 3.48Å; K466-Q469 WeakPolarHBondContact O-CB 3.36Å; K466-Q469 PolarHBondContact O-N 3.08Å; K466-Q469 VanDerWaalsContact O-N 3.15Å; Q469-A471 VanDerWaalsContact C-N 3.31Å; Q469-A471 PolarHBondContact O-N 3.21Å; Q469-A472 WeakPolarHBondContact O-CB 3.38Å; Q469-A472 PolarHBondContact O-N 3.15Å; Q469-A472 VanDerWaalsContact O-N 3.12Å; Q469-Q473 WeakPolarHBondContact O-CG 3.34Å; Q469-Q473 PolarHBondContact O-N 2.87Å; Q469-I613 HydrophobicContact CB-CG2 3.76Å; Q469-I613 HydrophobicContact CG-CG2 4.3Å; Q469-R617 VanDerWaalsContact CD-NH1 3.32Å; Q469-R617 VanDerWaalsContact NE2-CZ 3.3Å
470	D	98.7	Very high	96.3	Very high	11 Å²	11	27.8 Å²	27.8	6%	0.059	15%	0.149	C	C	.	.	H	α-helix	trans	-55	-48.8	179	-76.9	-12.8	0	0	0	110	N418 K466 A472 Q473 G474 N503 A504	N418-D470 WeakPolarHBondContact CB-O 3.48Å; N418-D470 VanDerWaalsContact CG-O 3.26Å; N418-D470 WeakPolarHBondContact ND2-CB 3.36Å; N418-D470 PolarHBondContact ND2-OD1 2.83Å; K466-D470 IonicContact NZ-OD2 3.74Å; K466-D470 PolarHBondContact NZ-OD2 3.22Å; K466-D470 WeakPolarHBondContact O-CB 3.49Å; K466-D470 VanDerWaalsContact O-CG 3.31Å; K466-D470 PolarHBondContact O-N 2.9Å; D470-A472 PolarHBondContact O-N 3.44Å; D470-Q473 PolarHBondContact O-N 3.23Å; D470-G474 PolarHBondContact O-N 3.38Å; D470-N503 VanDerWaalsContact OD2-CA 3.25Å; D470-N503 WeakPolarHBondContact OD2-CA 3.48Å; D470-A504 HydrophobicContact CB-CB 3.54Å; D470-A504 PolarHBondContact OD2-N 3.39Å; D470-A504 VanDerWaalsContact OD2-N 3.12Å
471	A	98.7	Very high	96.5	Very high	2 Å²	2	22.4 Å²	22.4	2%	0.017	13%	0.125	C	C	.	.	H	α-helix	trans	-63.6	-39.5	177	0	0	0	0	0	112.8	L467 Q469 G474 L475 I496 A504 F533	L467-A471 WeakPolarHBondContact O-CB 3.26Å; L467-A471 PolarHBondContact O-N 3.5Å; Q469-A471 VanDerWaalsContact C-N 3.31Å; Q469-A471 PolarHBondContact O-N 3.21Å; A471-G474 PolarHBondContact O-N 2.8Å; A471-L475 WeakPolarHBondContact O-CB 3.39Å; A471-L475 PolarHBondContact O-N 3.43Å; A471-I496 HydrophobicContact CB-CD1 3.93Å; A471-I496 HydrophobicContact CB-CG1 4.37Å; A471-I496 HydrophobicContact CB-CG2 4.03Å; A471-A504 HydrophobicContact CB-CB 4.33Å; A471-F533 HydrophobicContact CB-CE2 3.92Å
472	A	98.7	Very high	96.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63	-42.4	176.1	0	0	0	0	0	112	A468 Q469 D470 L475 A476 F533 M606 A610 I613	A468-A472 WeakPolarHBondContact O-CB 3.34Å; A468-A472 PolarHBondContact O-N 2.88Å; Q469-A472 WeakPolarHBondContact O-CB 3.38Å; Q469-A472 PolarHBondContact O-N 3.15Å; Q469-A472 VanDerWaalsContact O-N 3.12Å; D470-A472 PolarHBondContact O-N 3.44Å; A472-L475 PolarHBondContact O-N 3.11Å; A472-A476 WeakPolarHBondContact O-CB 3.21Å; A472-A476 PolarHBondContact O-N 3.12Å; A472-F533 HydrophobicContact CB-CE1 3.97Å; A472-F533 HydrophobicContact CB-CE2 4.28Å; A472-F533 HydrophobicContact CB-CZ 3.55Å; A472-M606 HydrophobicContact CB-CE 3.98Å; A472-A610 HydrophobicContact CB-CB 3.9Å; A472-I613 HydrophobicContact CB-CD1 3.96Å
473	Q	98.5	Very high	95.9	Very high	60 Å²	60	23.8 Å²	23.8	28%	0.28	16%	0.158	S	C	.	.	H	α-helix	trans	-64.9	-44.8	177.3	-73	178.2	-22.1	0	0	111.3	N418 Q469 D470 L475 A476 Y477 A610	N418-Q473 PolarHBondContact OD1-OE1 3.18Å; Q469-Q473 WeakPolarHBondContact O-CG 3.34Å; Q469-Q473 PolarHBondContact O-N 2.87Å; D470-Q473 PolarHBondContact O-N 3.23Å; Q473-L475 PolarHBondContact O-N 3.4Å; Q473-A476 PolarHBondContact O-N 2.89Å; Q473-Y477 WeakPolarHBondContact O-CB 3.43Å; Q473-Y477 PolarHBondContact O-N 3.48Å; Q473-A610 HydrophobicContact CG-CB 4.37Å
474	G	98.3	Very high	95.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.2	-44.7	175.6	0	0	0	0	0	112.8	N418 D470 A471 Y477 L478	N418-G474 WeakPolarHBondContact O-CA 3.34Å; D470-G474 PolarHBondContact O-N 3.38Å; A471-G474 PolarHBondContact O-N 2.8Å; G474-Y477 PolarHBondContact O-N 3.29Å; G474-L478 WeakPolarHBondContact O-CG 3.3Å; G474-L478 PolarHBondContact O-N 3.12Å
475	L	98.2	Very high	95.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-70.8	-38	178.5	-171.9	64.1	0	0	0	112.6	A471 A472 Q473 Y477 L478 H479 H488 L491 D529 F533 M606	A471-L475 WeakPolarHBondContact O-CB 3.39Å; A471-L475 PolarHBondContact O-N 3.43Å; A472-L475 PolarHBondContact O-N 3.11Å; Q473-L475 PolarHBondContact O-N 3.4Å; L475-Y477 VanDerWaalsContact C-N 3.33Å; L475-Y477 PolarHBondContact O-N 3.1Å; L475-L478 PolarHBondContact O-N 2.95Å; L475-H479 PolarHBondContact O-N 2.91Å; L475-H488 HydrophobicContact CD1-CB 3.89Å; L475-L491 HydrophobicContact CD2-CD2 3.48Å; L475-L491 VanDerWaalsContact CD2-CD2 3.48Å; L475-D529 HydrophobicContact CD2-CB 4.4Å; L475-F533 HydrophobicContact CD2-CB 4.02Å; L475-F533 HydrophobicContact CD2-CD2 4.2Å; L475-F533 HydrophobicContact CD2-CG 4.26Å; L475-M606 HydrophobicContact CB-CE 4.24Å; L475-M606 HydrophobicContact CD2-CE 3.86Å; L475-M606 HydrophobicContact CD2-CG 3.76Å; L475-M606 HydrophobicContact CD2-SD 3.79Å; L475-M606 HydrophobicContact CG-CE 4.38Å; L475-M606 HydrophobicContact CG-CG 3.94Å
476	A	97.9	Very high	94.9	Very high	20 Å²	20	28.4 Å²	28.4	17%	0.165	18%	0.182	C	C	.	.	H	α-helix	trans	-62.2	-41	174.1	0	0	0	0	0	111.9	A472 Q473 H479 G480 M606 A607 A610	A472-A476 WeakPolarHBondContact O-CB 3.21Å; A472-A476 PolarHBondContact O-N 3.12Å; Q473-A476 PolarHBondContact O-N 2.89Å; A476-H479 PolarHBondContact O-N 3.35Å; A476-G480 PolarHBondContact O-N 3.22Å; A476-M606 HydrophobicContact CB-CB 4.05Å; A476-A607 HydrophobicContact CB-CB 4.48Å; A476-A610 HydrophobicContact CB-CB 4.32Å
477	Y	98	Very high	94.7	Very high	65 Å²	65	25.4 Å²	25.4	26%	0.255	17%	0.169	S	C	.	.	H	α-helix	trans	-59.1	-49.5	171.8	170.7	-95.6	0	0	0	111.2	W414 R415 H416 V419 Q473 G474 L475 H479 G480 V481	W414-Y477 WeakPolarHBondContact CA-OH 3.36Å; W414-Y477 HydrophobicContact CB-CE1 4.12Å; R415-Y477 PolarHBondContact N-OH 3Å; R415-Y477 PolarHBondContact O-OH 3.11Å; H416-Y477 HydrophobicContact CB-CD1 3.58Å; H416-Y477 HydrophobicContact CB-CD2 4.15Å; H416-Y477 HydrophobicContact CB-CE1 3.77Å; H416-Y477 HydrophobicContact CB-CE2 4.32Å; H416-Y477 HydrophobicContact CB-CG 3.78Å; H416-Y477 AromaticContact CD2-CD2 3.76Å; H416-Y477 AromaticContact CD2-CG 3.78Å; H416-Y477 AromaticContact CG-CG 3.79Å; V419-Y477 HydrophobicContact CG2-CD1 3.99Å; Q473-Y477 WeakPolarHBondContact O-CB 3.43Å; Q473-Y477 PolarHBondContact O-N 3.48Å; G474-Y477 PolarHBondContact O-N 3.29Å; L475-Y477 VanDerWaalsContact C-N 3.33Å; L475-Y477 PolarHBondContact O-N 3.1Å; Y477-H479 VanDerWaalsContact C-N 3.28Å; Y477-H479 PolarHBondContact O-N 3.43Å; Y477-G480 WeakPolarHBondContact O-CA 3.48Å; Y477-G480 PolarHBondContact O-N 3.46Å; Y477-V481 HydrophobicContact CD1-CG1 4.24Å; Y477-V481 HydrophobicContact CE1-CG1 3.71Å; Y477-V481 HydrophobicContact CE2-CG1 4.04Å; Y477-V481 PolarHBondContact O-N 3.32Å
478	L	96.5	Very high	94.5	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-60.2	-35.2	177.6	-71.6	173.2	0	0	0	112.5	W414 V419 G474 L475 G480 V481 L486 V506 F509	W414-L478 HydrophobicContact CE3-CD2 4.4Å; V419-L478 HydrophobicContact CG1-CD1 4.49Å; V419-L478 HydrophobicContact CG1-CD2 4.09Å; V419-L478 HydrophobicContact CG1-CG 4.48Å; V419-L478 HydrophobicContact CG2-CD1 4.21Å; V419-L478 HydrophobicContact CG2-CD2 4.32Å; V419-L478 HydrophobicContact CG2-CG 3.96Å; G474-L478 WeakPolarHBondContact O-CG 3.3Å; G474-L478 PolarHBondContact O-N 3.12Å; L475-L478 PolarHBondContact O-N 2.95Å; L478-G480 PolarHBondContact O-N 3.16Å; L478-V481 VanDerWaalsContact O-CG2 3.26Å; L478-V481 WeakPolarHBondContact O-CG2 3.35Å; L478-L486 HydrophobicContact CB-CD2 4.2Å; L478-L486 HydrophobicContact CD2-CD2 3.85Å; L478-L486 WeakPolarHBondContact O-CB 3.42Å; L478-V506 HydrophobicContact CD1-CB 4.28Å; L478-V506 HydrophobicContact CD1-CG1 3.85Å; L478-F509 HydrophobicContact CD1-CB 3.87Å; L478-F509 HydrophobicContact CD1-CD1 4.17Å; L478-F509 HydrophobicContact CD1-CG 4.11Å; L478-F509 HydrophobicContact CD2-CB 4.43Å; L478-F509 HydrophobicContact CD2-CD1 4.45Å; L478-F509 HydrophobicContact CD2-CD2 4.19Å; L478-F509 HydrophobicContact CD2-CG 4.11Å
479	H	95.6	Very high	94.2	Very high	17 Å²	17	27.4 Å²	27.4	8%	0.079	18%	0.177	C	C	.	.	H	α-helix	trans	-69.9	-18.8	173.5	-73.8	-175.6	0	0	0	113.6	L475 A476 Y477 G484 L486 Q526 D529 M606	L475-H479 PolarHBondContact O-N 2.91Å; A476-H479 PolarHBondContact O-N 3.35Å; Y477-H479 VanDerWaalsContact C-N 3.28Å; Y477-H479 PolarHBondContact O-N 3.43Å; H479-G484 CarbonylContact O-C 3.28Å; H479-G484 VanDerWaalsContact O-CA 3.28Å; H479-G484 WeakPolarHBondContact O-CA 3.32Å; H479-L486 PolarHBondContact CD2-O 2.84Å; H479-Q526 PolarHBondContact O-NE2 2.97Å; H479-D529 IonicContact CD2-OD2 2.95Å; H479-D529 IonicContact CE1-OD2 2.87Å; H479-D529 IonicContact NE2-OD2 3.22Å; H479-D529 PolarHBondContact NE2-OD2 2.65Å; H479-M606 WeakPolarHBondContact ND1-CG 3.3Å
480	G	93.8	Very high	93.8	Very high	55 Å²	55	32.7 Å²	32.7	57%	0.567	20%	0.201	S	C	*	.	H	α-helix	trans	-91	-20	178.2	0	0	0	0	0	114.9	A476 Y477 L478	A476-G480 PolarHBondContact O-N 3.22Å; Y477-G480 WeakPolarHBondContact O-CA 3.48Å; Y477-G480 PolarHBondContact O-N 3.46Å; L478-G480 PolarHBondContact O-N 3.16Å
481	V	92.1	Very high	93.7	Very high	17 Å²	17	32.7 Å²	32.7	10%	0.103	20%	0.201	C	C	.	.	S	Bend	trans	-76.6	169.2	179.1	-58	0	0	0	0	112.4	W414 Y477 L478 G483 G484 L486	W414-V481 HydrophobicContact CD2-CB 4.36Å; W414-V481 HydrophobicContact CD2-CG2 3.76Å; W414-V481 HydrophobicContact CE3-CG2 4.26Å; W414-V481 HydrophobicContact CG-CB 4.2Å; W414-V481 HydrophobicContact CG-CG1 4.14Å; W414-V481 HydrophobicContact CG-CG2 4.02Å; W414-V481 HydrophobicContact CZ2-CG2 4.21Å; Y477-V481 HydrophobicContact CD1-CG1 4.24Å; Y477-V481 HydrophobicContact CE1-CG1 3.71Å; Y477-V481 HydrophobicContact CE2-CG1 4.04Å; Y477-V481 PolarHBondContact O-N 3.32Å; L478-V481 VanDerWaalsContact O-CG2 3.26Å; L478-V481 WeakPolarHBondContact O-CG2 3.35Å; V481-G483 PolarHBondContact O-N 3.47Å; V481-G484 PolarHBondContact O-N 3.35Å; V481-L486 HydrophobicContact CG2-CB 4.02Å; V481-L486 HydrophobicContact CG2-CD2 3.39Å; V481-L486 HydrophobicContact CG2-CG 4.34Å
482	S	86.4	Confident	93.6	Very high	52 Å²	52	34.8 Å²	34.8	36%	0.364	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	51.7	40.4	-178.9	-157	0	0	0	0	113.1	E410 G484 K485	E410-S482 PolarHBondContact OE2-OG 2.97Å; S482-G484 VanDerWaalsContact C-N 3.29Å; S482-G484 PolarHBondContact O-N 3.24Å; S482-K485 PolarHBondContact O-N 3.48Å
483	G	84.8	Confident	93.4	Very high	76 Å²	76	35 Å²	35	78%	0.784	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	66.5	27.2	-178.5	0	0	0	0	0	114.1	V481	V481-G483 PolarHBondContact O-N 3.47Å
484	G	88.1	Confident	93.2	Very high	30 Å²	30	34.3 Å²	34.3	31%	0.309	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	83.2	13.2	178.6	0	0	0	0	0	115	H479 V481 S482 Q526	H479-G484 CarbonylContact O-C 3.28Å; H479-G484 VanDerWaalsContact O-CA 3.28Å; H479-G484 WeakPolarHBondContact O-CA 3.32Å; V481-G484 PolarHBondContact O-N 3.35Å; S482-G484 VanDerWaalsContact C-N 3.29Å; S482-G484 PolarHBondContact O-N 3.24Å; G484-Q526 PolarHBondContact O-NE2 3.05Å
485	K	85.9	Confident	93.1	Very high	123 Å²	123	35 Å²	35	54%	0.535	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-12.4	-172.3	-60.1	-175.4	179.6	179.9	0	114.2	S482 D522	S482-K485 PolarHBondContact O-N 3.48Å; K485-D522 WeakPolarHBondContact CB-OD2 2.97Å; K485-D522 VanDerWaalsContact CG-OD2 3.3Å; K485-D522 WeakPolarHBondContact CG-OD2 2.85Å
486	L	91.2	Very high	93.1	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.016	22%	0.221	C	C	.	.			trans	-77.5	134.3	-176.3	-178.6	70.8	0	0	0	110.5	W414 L478 H479 V481 A510 Q526	W414-L486 HydrophobicContact CD2-CD2 4.35Å; W414-L486 HydrophobicContact CE3-CD2 3.7Å; W414-L486 HydrophobicContact CH2-CD1 3.88Å; W414-L486 HydrophobicContact CH2-CD2 3.7Å; W414-L486 HydrophobicContact CH2-CG 4.34Å; W414-L486 HydrophobicContact CZ2-CD2 4.31Å; W414-L486 HydrophobicContact CZ3-CD1 4.01Å; W414-L486 HydrophobicContact CZ3-CD2 3.34Å; W414-L486 HydrophobicContact CZ3-CG 4.32Å; L478-L486 HydrophobicContact CB-CD2 4.2Å; L478-L486 HydrophobicContact CD2-CD2 3.85Å; L478-L486 WeakPolarHBondContact O-CB 3.42Å; H479-L486 PolarHBondContact CD2-O 2.84Å; V481-L486 HydrophobicContact CG2-CB 4.02Å; V481-L486 HydrophobicContact CG2-CD2 3.39Å; V481-L486 HydrophobicContact CG2-CG 4.34Å; L486-A510 HydrophobicContact CD1-CB 4.07Å; L486-Q526 PolarHBondContact O-NE2 3.46Å
487	A	92.2	Very high	93.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.222	C	C	.	.			trans	-129.3	141.8	168.9	0	0	0	0	0	108.3	R489 Q513 A525 Q526 D529	A487-R489 HydrophobicContact CB-CG 4.06Å; A487-Q513 PolarHBondContact O-NE2 2.92Å; A487-Q513 VanDerWaalsContact O-NE2 3.09Å; A487-A525 HydrophobicContact CB-CB 3.57Å; A487-Q526 HydrophobicContact CB-CG 4.02Å; A487-D529 VanDerWaalsContact CA-OD2 3.23Å; A487-D529 WeakPolarHBondContact CA-OD2 3.2Å; A487-D529 WeakPolarHBondContact CB-OD2 3.45Å
488	H	94.2	Very high	93	Very high	5 Å²	5	33 Å²	33	2%	0.023	21%	0.212	C	C	.	.			trans	-65.1	-44	179.3	-168.1	-76.5	0	0	0	112	L475 H490 L491 S507 D529	L475-H488 HydrophobicContact CD1-CB 3.89Å; H488-H490 PolarHBondContact CE1-O 2.82Å; H488-H490 PolarHBondContact ND1-N 3.45Å; H488-H490 PolarHBondContact ND1-O 2.72Å; H488-H490 PolarHBondContact O-N 2.78Å; H488-L491 WeakPolarHBondContact ND1-CA 3.39Å; H488-L491 PolarHBondContact ND1-N 3.14Å; H488-L491 VanDerWaalsContact ND1-N 3.19Å; H488-S507 PolarHBondContact NE2-O 2.96Å; H488-D529 PolarHBondContact N-OD2 3.4Å
489	R	91.8	Very high	92.9	Very high	39 Å²	39	33.7 Å²	33.7	15%	0.147	22%	0.215	C	C	.	.	S	Bend	trans	67.5	-13.7	176.7	-59.2	179	173.9	179.2	-0.7	117.3	A487 L512 D529	A487-R489 HydrophobicContact CB-CG 4.06Å; R489-L512 HydrophobicContact CB-CD1 4.04Å; R489-D529 WeakPolarHBondContact CA-OD1 2.89Å; R489-D529 PolarHBondContact N-OD1 2.88Å
490	H	91.3	Very high	92.6	Very high	111 Å²	111	36.9 Å²	36.9	51%	0.514	24%	0.244	S	C	.	.	S	Bend	trans	-143.3	54.4	177.2	-169.8	-105.8	0	0	0	110.8	H488 N495 L512	H488-H490 PolarHBondContact CE1-O 2.82Å; H488-H490 PolarHBondContact ND1-N 3.45Å; H488-H490 PolarHBondContact ND1-O 2.72Å; H488-H490 PolarHBondContact O-N 2.78Å; H490-N495 PolarHBondContact ND1-ND2 3.46Å; H490-N495 PolarHBondContact O-ND2 3.11Å; H490-L512 HydrophobicContact CB-CD1 3.84Å
491	L	95.8	Very high	92.6	Very high	10 Å²	10	37 Å²	37	5%	0.052	25%	0.246	C	C	.	.			trans	-82.6	128.3	-179.5	-172.4	75.8	0	0	0	110.1	L475 H488 I496 V506 A532 F533	L475-L491 HydrophobicContact CD2-CD2 3.48Å; L475-L491 VanDerWaalsContact CD2-CD2 3.48Å; H488-L491 WeakPolarHBondContact ND1-CA 3.39Å; H488-L491 PolarHBondContact ND1-N 3.14Å; H488-L491 VanDerWaalsContact ND1-N 3.19Å; L491-I496 HydrophobicContact CD1-CG1 4.45Å; L491-V506 HydrophobicContact CD1-CG1 4.07Å; L491-A532 HydrophobicContact CB-CB 3.98Å; L491-A532 HydrophobicContact CD2-CB 4.49Å; L491-A532 WeakPolarHBondContact O-CB 3.37Å; L491-F533 HydrophobicContact CD2-CB 3.73Å; L491-F533 HydrophobicContact CD2-CD2 4.04Å; L491-F533 HydrophobicContact CD2-CG 4.39Å
492	T	95.5	Very high	92.6	Very high	47 Å²	47	37.5 Å²	37.5	29%	0.288	25%	0.254	S	S	.	.			trans	-146	167.2	173.6	65.8	0	0	0	0	108.6	S494 N495	T492-S494 PolarHBondContact O-N 3.43Å; T492-S494 PolarHBondContact OG1-N 3.28Å; T492-N495 PolarHBondContact O-N 2.9Å; T492-N495 PolarHBondContact OG1-ND2 2.95Å
493	S	96.2	Very high	93.2	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.021	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-60.9	-24.5	173.4	52.3	0	0	0	0	113.3	L444 H445 N495 I496 E539	L444-S493 WeakPolarHBondContact CB-O 3.29Å; L444-S493 PolarHBondContact N-O 2.97Å; H445-S493 WeakPolarHBondContact CB-OG 3.27Å; H445-S493 PolarHBondContact N-O 3.25Å; H445-S493 PolarHBondContact ND1-OG 2.94Å; S493-N495 VanDerWaalsContact C-N 3.28Å; S493-N495 PolarHBondContact O-N 2.54Å; S493-I496 PolarHBondContact O-N 3.22Å; S493-E539 WeakPolarHBondContact CB-OE1 3.44Å; S493-E539 WeakPolarHBondContact CB-OE2 3.12Å; S493-E539 PolarHBondContact OG-OE1 3.04Å; S493-E539 PolarHBondContact OG-OE2 3.09Å
494	S	94	Very high	93.8	Very high	47 Å²	47	33.9 Å²	33.9	33%	0.329	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-70.7	-23.8	173.4	-40.8	0	0	0	0	113	S443 T492 I496	S443-S494 WeakPolarHBondContact CB-O 3.28Å; T492-S494 PolarHBondContact O-N 3.43Å; T492-S494 PolarHBondContact OG1-N 3.28Å; S494-I496 VanDerWaalsContact C-N 3.33Å
495	N	95.3	Very high	94.3	Very high	15 Å²	15	35.4 Å²	35.4	8%	0.08	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-96.2	14.7	178.5	-59.5	-23.4	0	0	0	112.4	H490 T492 S493 S507 D508	H490-N495 PolarHBondContact ND1-ND2 3.46Å; H490-N495 PolarHBondContact O-ND2 3.11Å; T492-N495 PolarHBondContact O-N 2.9Å; T492-N495 PolarHBondContact OG1-ND2 2.95Å; S493-N495 VanDerWaalsContact C-N 3.28Å; S493-N495 PolarHBondContact O-N 2.54Å; N495-S507 WeakPolarHBondContact CA-OG 3.46Å; N495-S507 PolarHBondContact O-N 3.12Å; N495-S507 PolarHBondContact O-OG 3.22Å; N495-S507 VanDerWaalsContact O-OG 3.13Å; N495-D508 HydrophobicContact CB-CB 4.41Å
496	I	98.1	Very high	94.9	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	106	172.1	-63.3	168.5	0	0	0	106.2	S443 L444 A471 L491 S493 S494 A504 V536	S443-I496 CarbonylContact C-O 3.53Å; S443-I496 WeakPolarHBondContact CA-O 3.21Å; L444-I496 HydrophobicContact CB-CB 4.17Å; L444-I496 HydrophobicContact CB-CG2 4.15Å; L444-I496 HydrophobicContact CD2-CD1 4.33Å; L444-I496 HydrophobicContact CD2-CG2 4.3Å; L444-I496 PolarHBondContact N-O 2.79Å; A471-I496 HydrophobicContact CB-CD1 3.93Å; A471-I496 HydrophobicContact CB-CG1 4.37Å; A471-I496 HydrophobicContact CB-CG2 4.03Å; L491-I496 HydrophobicContact CD1-CG1 4.45Å; S493-I496 PolarHBondContact O-N 3.22Å; S494-I496 VanDerWaalsContact C-N 3.33Å; I496-A504 HydrophobicContact CG2-CB 3.81Å; I496-V536 HydrophobicContact CD1-CB 4.5Å; I496-V536 HydrophobicContact CD1-CG1 3.69Å; I496-V536 HydrophobicContact CD1-CG2 4.2Å
497	L	97.8	Very high	95.1	Very high	35 Å²	35	29.7 Å²	29.7	18%	0.183	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	154.8	-177.9	-53.7	-176.9	0	0	0	110.7	V420 V439 G442 A504 R505	V420-L497 HydrophobicContact CG2-CD1 4.22Å; V439-L497 HydrophobicContact CB-CB 3.85Å; V439-L497 HydrophobicContact CB-CD1 3.89Å; V439-L497 HydrophobicContact CG1-CB 3.53Å; V439-L497 HydrophobicContact CG2-CB 4.25Å; V439-L497 HydrophobicContact CG2-CD1 4.06Å; G442-L497 CarbonylContact O-C 3.51Å; G442-L497 VanDerWaalsContact O-CA 3.29Å; G442-L497 WeakPolarHBondContact O-CA 3.34Å; L497-A504 CarbonylContact O-C 3.54Å; L497-A504 WeakPolarHBondContact O-CA 3.36Å; L497-R505 PolarHBondContact N-O 3.04Å; L497-R505 PolarHBondContact O-N 2.93Å
498	V	96.3	Very high	95.2	Very high	7 Å²	7	31.6 Å²	31.6	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122	178.9	-175.5	0	0	0	0	110.3	V439 N441 G442 L447 L467 N503	V439-V498 WeakPolarHBondContact CG1-O 3.13Å; N441-V498 HydrophobicContact CB-CB 4.2Å; N441-V498 HydrophobicContact CB-CG1 4.37Å; N441-V498 VanDerWaalsContact CB-O 3.24Å; N441-V498 WeakPolarHBondContact CB-O 3.41Å; N441-V498 PolarHBondContact N-O 2.84Å; G442-V498 PolarHBondContact O-N 3.49Å; L447-V498 HydrophobicContact CD1-CB 3.94Å; L447-V498 HydrophobicContact CD1-CG1 4.38Å; L447-V498 HydrophobicContact CD1-CG2 3.52Å; L467-V498 HydrophobicContact CD1-CG2 4.37Å; L467-V498 HydrophobicContact CD2-CG1 4.03Å; L467-V498 HydrophobicContact CD2-CG2 3.79Å; V498-N503 WeakPolarHBondContact CA-O 3.23Å
499	D	94.2	Very high	95.1	Very high	14 Å²	14	31.4 Å²	31.4	8%	0.075	19%	0.194	C	C	.	.			trans	-77.9	173	179.5	73.1	21.4	0	0	0	113.2	V439 N441 G501 G502 N503 R505	V439-D499 HydrophobicContact CG1-CB 4.28Å; N441-D499 PolarHBondContact ND2-O 3.16Å; D499-G501 PolarHBondContact O-N 3.09Å; D499-G501 WeakPolarHBondContact OD1-CA 3.33Å; D499-G501 PolarHBondContact OD1-N 2.76Å; D499-G502 PolarHBondContact O-N 3.34Å; D499-G502 PolarHBondContact OD1-N 3.07Å; D499-N503 PolarHBondContact N-O 3.45Å; D499-N503 PolarHBondContact OD1-N 3.28Å; D499-N503 PolarHBondContact OD1-ND2 3.18Å; D499-N503 VanDerWaalsContact OD1-ND2 3.08Å; D499-N503 PolarHBondContact OD2-ND2 3Å; D499-R505 IonicContact OD2-CZ 3.49Å; D499-R505 VanDerWaalsContact OD2-CZ 3.25Å; D499-R505 IonicContact OD2-NE 3.42Å; D499-R505 PolarHBondContact OD2-NE 2.85Å; D499-R505 IonicContact OD2-NH2 3.71Å; D499-R505 PolarHBondContact OD2-NH2 3.26Å
500	A	90.5	Very high	95.1	Very high	84 Å²	84	29.5 Å²	29.5	69%	0.694	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.8	-179.4	0	0	0	0	0	113.3	P440 G502	P440-A500 HydrophobicContact CG-CB 4.13Å; A500-G502 VanDerWaalsContact C-N 3.25Å; A500-G502 PolarHBondContact O-N 3.18Å
501	G	92	Very high	95.1	Very high	59 Å²	59	24.5 Å²	24.5	61%	0.608	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	3.9	174.5	0	0	0	0	0	113.9	D499 N503	D499-G501 PolarHBondContact O-N 3.09Å; D499-G501 WeakPolarHBondContact OD1-CA 3.33Å; D499-G501 PolarHBondContact OD1-N 2.76Å; G501-N503 VanDerWaalsContact C-N 3.34Å
502	G	93.3	Very high	94.7	Very high	26 Å²	26	27.1 Å²	27.1	27%	0.268	18%	0.178	S	C	.	.	S	Bend	trans	71.9	25.6	-177.3	0	0	0	0	0	113.4	K466 D499 A500	K466-G502 PolarHBondContact NZ-O 2.73Å; D499-G502 PolarHBondContact O-N 3.34Å; D499-G502 PolarHBondContact OD1-N 3.07Å; A500-G502 VanDerWaalsContact C-N 3.25Å; A500-G502 PolarHBondContact O-N 3.18Å
503	N	97.7	Very high	94.4	Very high	52 Å²	52	25.8 Å²	25.8	28%	0.278	17%	0.168	S	C	.	.			trans	-97.8	139.8	175.3	-46	-72.8	0	0	0	111.3	K466 D470 V498 D499 G501	K466-N503 PolarHBondContact NZ-OD1 3.17Å; D470-N503 VanDerWaalsContact OD2-CA 3.25Å; D470-N503 WeakPolarHBondContact OD2-CA 3.48Å; V498-N503 WeakPolarHBondContact CA-O 3.23Å; D499-N503 PolarHBondContact N-O 3.45Å; D499-N503 PolarHBondContact OD1-N 3.28Å; D499-N503 PolarHBondContact OD1-ND2 3.18Å; D499-N503 VanDerWaalsContact OD1-ND2 3.08Å; D499-N503 PolarHBondContact OD2-ND2 3Å; G501-N503 VanDerWaalsContact C-N 3.34Å
504	A	98.4	Very high	94	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	141	175.3	0	0	0	0	0	111.1	N418 L467 D470 A471 I496 L497	N418-A504 WeakPolarHBondContact CA-O 3.46Å; N418-A504 WeakPolarHBondContact CB-O 2.94Å; N418-A504 PolarHBondContact ND2-O 3.15Å; L467-A504 HydrophobicContact CB-CB 4.27Å; L467-A504 HydrophobicContact CD2-CB 3.78Å; L467-A504 WeakPolarHBondContact O-CB 3.37Å; D470-A504 HydrophobicContact CB-CB 3.54Å; D470-A504 PolarHBondContact OD2-N 3.39Å; D470-A504 VanDerWaalsContact OD2-N 3.12Å; A471-A504 HydrophobicContact CB-CB 4.33Å; I496-A504 HydrophobicContact CG2-CB 3.81Å; L497-A504 CarbonylContact O-C 3.54Å; L497-A504 WeakPolarHBondContact O-CA 3.36Å
505	R	98.5	Very high	93.6	Very high	62 Å²	62	25.6 Å²	25.6	23%	0.234	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	124.9	175.7	-55.6	-166	-175.5	-166.9	0.3	110.8	A417 N418 V420 L497 D499 S507	A417-R505 PolarHBondContact O-NE 3.24Å; N418-R505 CarbonylContact O-C 3.54Å; N418-R505 WeakPolarHBondContact O-CA 3.49Å; V420-R505 HydrophobicContact CG2-CB 3.76Å; L497-R505 PolarHBondContact N-O 3.04Å; L497-R505 PolarHBondContact O-N 2.93Å; D499-R505 IonicContact OD2-CZ 3.49Å; D499-R505 VanDerWaalsContact OD2-CZ 3.25Å; D499-R505 IonicContact OD2-NE 3.42Å; D499-R505 PolarHBondContact OD2-NE 2.85Å; D499-R505 IonicContact OD2-NH2 3.71Å; D499-R505 PolarHBondContact OD2-NH2 3.26Å; R505-S507 PolarHBondContact O-N 2.81Å
506	V	98.2	Very high	93	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	124.3	175.5	-176.9	0	0	0	0	109.3	N418 V420 L478 L491	N418-V506 PolarHBondContact O-N 3.17Å; V420-V506 PolarHBondContact N-O 3.2Å; L478-V506 HydrophobicContact CD1-CB 4.28Å; L478-V506 HydrophobicContact CD1-CG1 3.85Å; L491-V506 HydrophobicContact CD1-CG1 4.07Å
507	S	96.2	Very high	91.9	Very high	6 Å²	6	32 Å²	32	4%	0.042	20%	0.204	C	C	.	.			trans	-111.1	177.1	177.9	70.3	0	0	0	0	111.3	H488 N495 R505 F509	H488-S507 PolarHBondContact NE2-O 2.96Å; N495-S507 WeakPolarHBondContact CA-OG 3.46Å; N495-S507 PolarHBondContact O-N 3.12Å; N495-S507 PolarHBondContact O-OG 3.22Å; N495-S507 VanDerWaalsContact O-OG 3.13Å; R505-S507 PolarHBondContact O-N 2.81Å; S507-F509 PolarHBondContact O-N 3.2Å
508	D	93.5	Very high	90.6	Very high	40 Å²	40	32.6 Å²	32.6	21%	0.214	21%	0.214	C	C	.	.	S	Bend	trans	59.8	20.7	169	-71	35.3	0	0	0	116.6	K388 N495 L511	K388-D508 WeakPolarHBondContact CE-OD1 3.01Å; K388-D508 IonicContact NZ-OD1 3.12Å; K388-D508 PolarHBondContact NZ-OD1 3.27Å; K388-D508 IonicContact NZ-OD2 3.09Å; K388-D508 PolarHBondContact NZ-OD2 3.48Å; N495-D508 HydrophobicContact CB-CB 4.41Å; D508-L511 HydrophobicContact CB-CD1 3.84Å
509	F	93.3	Very high	89.3	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	150.8	174	55.9	-92.6	0	0	0	112.5	M411 W414 V419 V420 F436 L478 S507 L511	M411-F509 HydrophobicContact CE-CD2 4.33Å; M411-F509 HydrophobicContact CE-CE2 4.15Å; W414-F509 HydrophobicContact CE3-CD2 4.02Å; W414-F509 AromaticContact CE3-CE2 3.88Å; W414-F509 HydrophobicContact CE3-CE2 3.88Å; W414-F509 HydrophobicContact CZ3-CD2 4.11Å; W414-F509 HydrophobicContact CZ3-CE2 4.31Å; V419-F509 HydrophobicContact CG1-CD1 3.91Å; V419-F509 HydrophobicContact CG1-CE1 3.31Å; V419-F509 HydrophobicContact CG1-CZ 3.77Å; V420-F509 VanDerWaalsContact O-CE1 3.22Å; V420-F509 WeakPolarHBondContact O-CE1 3.07Å; V420-F509 WeakPolarHBondContact O-CZ 3.25Å; F436-F509 HydrophobicContact CE1-CE1 4.38Å; F436-F509 HydrophobicContact CE1-CZ 4.03Å; L478-F509 HydrophobicContact CD1-CB 3.87Å; L478-F509 HydrophobicContact CD1-CD1 4.17Å; L478-F509 HydrophobicContact CD1-CG 4.11Å; L478-F509 HydrophobicContact CD2-CB 4.43Å; L478-F509 HydrophobicContact CD2-CD1 4.45Å; L478-F509 HydrophobicContact CD2-CD2 4.19Å; L478-F509 HydrophobicContact CD2-CG 4.11Å; S507-F509 PolarHBondContact O-N 3.2Å; F509-L511 PolarHBondContact O-N 2.99Å
510	A	90.9	Very high	87.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	-3.1	177.4	0	0	0	0	0	117.1	M411 W414 L486 L512 Q513 L514	M411-A510 HydrophobicContact CE-CB 4.2Å; M411-A510 HydrophobicContact CG-CB 4.12Å; M411-A510 HydrophobicContact SD-CB 3.9Å; W414-A510 HydrophobicContact CZ3-CB 4.14Å; L486-A510 HydrophobicContact CD1-CB 4.07Å; A510-L512 VanDerWaalsContact C-N 3.34Å; A510-L512 PolarHBondContact O-N 3.13Å; A510-Q513 WeakPolarHBondContact O-CA 3.34Å; A510-Q513 WeakPolarHBondContact O-CB 3.2Å; A510-Q513 PolarHBondContact O-N 3.07Å; A510-L514 PolarHBondContact O-N 3.22Å; A510-L514 VanDerWaalsContact O-N 3.13Å
511	L	91.1	Very high	86.5	Confident	5 Å²	5	39.3 Å²	39.3	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-39.5	-177.2	-62.8	-176.2	0	0	0	113.2	T355 K388 M411 L434 D508 F509 Q513 L514	T355-L511 HydrophobicContact CG2-CB 4.41Å; K388-L511 HydrophobicContact CD-CD1 3.71Å; K388-L511 HydrophobicContact CD-CD2 4.33Å; M411-L511 HydrophobicContact CE-CD2 4.47Å; L434-L511 HydrophobicContact CD1-CD2 3.57Å; D508-L511 HydrophobicContact CB-CD1 3.84Å; F509-L511 PolarHBondContact O-N 2.99Å; L511-Q513 VanDerWaalsContact C-N 3.28Å; L511-Q513 PolarHBondContact O-N 3.08Å; L511-L514 HydrophobicContact CD2-CD1 4.24Å; L511-L514 WeakPolarHBondContact O-CB 3.42Å; L511-L514 PolarHBondContact O-N 2.89Å
512	L	88.1	Confident	85.7	Confident	65 Å²	65	38.3 Å²	38.3	34%	0.34	25%	0.246	S	C	.	.	H	α-helix	trans	-65.7	-32.4	174.2	-74.3	171.2	0	0	0	112.2	T355 R489 H490 A510 L514 L515 V516	T355-L512 HydrophobicContact CG2-CD2 3.51Å; T355-L512 HydrophobicContact CG2-CG 4.04Å; R489-L512 HydrophobicContact CB-CD1 4.04Å; H490-L512 HydrophobicContact CB-CD1 3.84Å; A510-L512 VanDerWaalsContact C-N 3.34Å; A510-L512 PolarHBondContact O-N 3.13Å; L512-L514 VanDerWaalsContact C-N 3.32Å; L512-L515 PolarHBondContact O-N 3.35Å; L512-L515 VanDerWaalsContact O-N 3.16Å; L512-V516 PolarHBondContact O-N 3.24Å
513	Q	88	Confident	85.4	Confident	19 Å²	19	42.7 Å²	42.7	9%	0.089	26%	0.259	C	S	.	.	H	α-helix	trans	-73.5	-25.8	-179.8	-52.3	-168	-1.7	0	0	112.5	R403 L407 A487 A510 L511 L515 V516	R403-Q513 PolarHBondContact NH2-O 3.38Å; L407-Q513 HydrophobicContact CD2-CB 3.74Å; A487-Q513 PolarHBondContact O-NE2 2.92Å; A487-Q513 VanDerWaalsContact O-NE2 3.09Å; A510-Q513 WeakPolarHBondContact O-CA 3.34Å; A510-Q513 WeakPolarHBondContact O-CB 3.2Å; A510-Q513 PolarHBondContact O-N 3.07Å; L511-Q513 VanDerWaalsContact C-N 3.28Å; L511-Q513 PolarHBondContact O-N 3.08Å; Q513-L515 VanDerWaalsContact C-N 3.28Å; Q513-V516 CarbonylContact C-O 3.33Å; Q513-V516 WeakPolarHBondContact CA-O 3.38Å; Q513-V516 VanDerWaalsContact O-O 3.05Å
514	L	89	Confident	85.1	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.7	-32.1	169.1	-69.3	169.9	0	0	0	111.5	M390 R403 K404 L407 M411 L432 L434 A510 L511 L512	M390-L514 HydrophobicContact CE-CB 3.96Å; M390-L514 HydrophobicContact SD-CB 4.26Å; M390-L514 HydrophobicContact SD-CD1 3.86Å; R403-L514 PolarHBondContact NH2-O 3.28Å; K404-L514 HydrophobicContact CB-CD2 4.22Å; K404-L514 WeakPolarHBondContact CE-O 3.39Å; K404-L514 HydrophobicContact CG-CD2 4.35Å; K404-L514 WeakPolarHBondContact CG-O 3.46Å; K404-L514 WeakPolarHBondContact O-CD2 2.69Å; L407-L514 HydrophobicContact CB-CD2 3.98Å; L407-L514 HydrophobicContact CD2-CD2 3.79Å; L407-L514 HydrophobicContact CD2-CG 4Å; L407-L514 HydrophobicContact CG-CD2 3.97Å; M411-L514 HydrophobicContact CE-CD1 4.45Å; M411-L514 HydrophobicContact SD-CD1 4Å; M411-L514 HydrophobicContact SD-CD2 4.41Å; M411-L514 HydrophobicContact SD-CG 4.33Å; L432-L514 HydrophobicContact CD2-CD1 4.18Å; L432-L514 HydrophobicContact CD2-CD2 4.3Å; L434-L514 HydrophobicContact CD1-CD1 3.66Å; A510-L514 PolarHBondContact O-N 3.22Å; A510-L514 VanDerWaalsContact O-N 3.13Å; L511-L514 HydrophobicContact CD2-CD1 4.24Å; L511-L514 WeakPolarHBondContact O-CB 3.42Å; L511-L514 PolarHBondContact O-N 2.89Å; L512-L514 VanDerWaalsContact C-N 3.32Å
515	L	85.4	Confident	84.7	Confident	46 Å²	46	43.5 Å²	43.5	24%	0.241	27%	0.273	C	S	.	.	H	α-helix	trans	-80.5	-49.6	176.4	-67.4	-172.7	0	0	0	113.1	T355 M390 L512 Q513	T355-L515 HydrophobicContact CG2-CD1 3.79Å; T355-L515 HydrophobicContact CG2-CG 4.43Å; M390-L515 HydrophobicContact CE-CD2 3.46Å; M390-L515 VanDerWaalsContact CE-CD2 3.46Å; M390-L515 HydrophobicContact CE-CG 3.75Å; L512-L515 PolarHBondContact O-N 3.35Å; L512-L515 VanDerWaalsContact O-N 3.16Å; Q513-L515 VanDerWaalsContact C-N 3.28Å
516	V	82	Confident	84.5	Confident	85 Å²	85	42 Å²	42	52%	0.515	27%	0.269	S	S	.	.	S	Bend	trans	-126	133.1	-172.6	-175.1	0	0	0	0	109	R403 L512 Q513	R403-V516 VanDerWaalsContact NH2-C 3.33Å; L512-V516 PolarHBondContact O-N 3.24Å; Q513-V516 CarbonylContact C-O 3.33Å; Q513-V516 WeakPolarHBondContact CA-O 3.38Å; Q513-V516 VanDerWaalsContact O-O 3.05Å
517	P	75.8	Confident	84.4	Confident	67 Å²	67	43.1 Å²	43.1	44%	0.435	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-52.4	143.6	173.8	-22.4	30.8	0	0	0	111.4
518	A	69.3	Low	84.4	Confident	47 Å²	47	48.2 Å²	48.2	39%	0.388	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-60.2	127.8	171.7	0	0	0	0	0	110.8
519	P	70.5	Confident	84.5	Confident	86 Å²	86	46.4 Å²	46.4	56%	0.558	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-60.8	147.8	161.5	26.4	-33	0	0	0	109	A521	P519-A521 PolarHBondContact O-N 3.38Å
520	A	61.3	Low	84.7	Confident	98 Å²	98	46.5 Å²	46.5	81%	0.81	29%	0.287	S	S	*	.	S	Bend	trans	-64.6	-10.9	-173.6	0	0	0	0	0	115.1	D522	A520-D522 VanDerWaalsContact C-N 3.25Å; A520-D522 PolarHBondContact O-N 3.14Å
521	A	64.3	Low	85	Confident	61 Å²	61	49 Å²	49	50%	0.504	30%	0.299	S	S	.	.			trans	-81.9	67.6	179.4	0	0	0	0	0	111.4	P519 E523 A524 A525	P519-A521 PolarHBondContact O-N 3.38Å; A521-E523 VanDerWaalsContact C-N 3.31Å; A521-E523 PolarHBondContact O-N 3.18Å; A521-A524 HydrophobicContact CB-CB 4.24Å; A521-A524 PolarHBondContact O-N 3.35Å; A521-A525 PolarHBondContact O-N 3.13Å
522	D	75.4	Confident	85.3	Confident	39 Å²	39	49.7 Å²	49.7	21%	0.209	31%	0.306	C	S	.	.	H	α-helix	trans	-59.6	-39.7	-175.7	-65.1	-27	0	0	0	112.2	K485 A520 A525 Q526	K485-D522 WeakPolarHBondContact CB-OD2 2.97Å; K485-D522 VanDerWaalsContact CG-OD2 3.3Å; K485-D522 WeakPolarHBondContact CG-OD2 2.85Å; A520-D522 VanDerWaalsContact C-N 3.25Å; A520-D522 PolarHBondContact O-N 3.14Å; D522-A525 PolarHBondContact O-N 3.14Å; D522-Q526 PolarHBondContact O-N 3.29Å; D522-Q526 VanDerWaalsContact O-N 3.13Å
523	E	86.9	Confident	85.8	Confident	117 Å²	117	46.6 Å²	46.6	55%	0.547	29%	0.29	S	S	.	.	H	α-helix	trans	-64.8	-43	-179.6	-175.8	167.5	-163.3	0	0	112.2	A521 A525 Q526 K527	A521-E523 VanDerWaalsContact C-N 3.31Å; A521-E523 PolarHBondContact O-N 3.18Å; E523-A525 VanDerWaalsContact C-N 3.27Å; E523-A525 PolarHBondContact O-N 3.28Å; E523-Q526 PolarHBondContact O-N 2.76Å; E523-Q526 VanDerWaalsContact O-N 3.17Å; E523-K527 HydrophobicContact CG-CG 4.44Å; E523-K527 WeakPolarHBondContact O-CG 3.35Å; E523-K527 PolarHBondContact O-N 3.27Å
524	A	90.3	Very high	86.3	Confident	61 Å²	61	45.7 Å²	45.7	50%	0.504	29%	0.285	S	S	.	.	H	α-helix	trans	-61.4	-38	179.2	0	0	0	0	0	111.9	A521 K527 Q528	A521-A524 HydrophobicContact CB-CB 4.24Å; A521-A524 PolarHBondContact O-N 3.35Å; A524-K527 PolarHBondContact O-N 2.77Å; A524-Q528 PolarHBondContact O-N 2.99Å
525	A	91.2	Very high	86.7	Confident	9 Å²	9	46.8 Å²	46.8	7%	0.074	29%	0.292	C	S	.	.	H	α-helix	trans	-67.6	-40.1	176.4	0	0	0	0	0	112	A487 A521 D522 E523 Q528 D529	A487-A525 HydrophobicContact CB-CB 3.57Å; A521-A525 PolarHBondContact O-N 3.13Å; D522-A525 PolarHBondContact O-N 3.14Å; E523-A525 VanDerWaalsContact C-N 3.27Å; E523-A525 PolarHBondContact O-N 3.28Å; A525-Q528 WeakPolarHBondContact O-CB 3.04Å; A525-Q528 PolarHBondContact O-N 3.21Å; A525-D529 PolarHBondContact O-N 2.68Å
526	Q	94.6	Very high	87.3	Confident	31 Å²	31	44.7 Å²	44.7	15%	0.145	28%	0.281	C	S	.	.	H	α-helix	trans	-65.7	-37.3	173.9	-70.6	-174.1	-8.8	0	0	112.1	H479 G484 L486 A487 D522 E523 Q528 D529 V530	H479-Q526 PolarHBondContact O-NE2 2.97Å; G484-Q526 PolarHBondContact O-NE2 3.05Å; L486-Q526 PolarHBondContact O-NE2 3.46Å; A487-Q526 HydrophobicContact CB-CG 4.02Å; D522-Q526 PolarHBondContact O-N 3.29Å; D522-Q526 VanDerWaalsContact O-N 3.13Å; E523-Q526 PolarHBondContact O-N 2.76Å; E523-Q526 VanDerWaalsContact O-N 3.17Å; Q526-Q528 PolarHBondContact O-N 3.21Å; Q526-D529 WeakPolarHBondContact O-CB 3.36Å; Q526-D529 PolarHBondContact O-N 2.97Å; Q526-D529 VanDerWaalsContact O-N 3.16Å; Q526-V530 WeakPolarHBondContact O-CG2 3.18Å; Q526-V530 PolarHBondContact O-N 2.95Å
527	K	95.6	Very high	88.1	Confident	23 Å²	23	40.7 Å²	40.7	10%	0.1	26%	0.257	C	S	.	.	H	α-helix	trans	-66.7	-26.6	173.3	-62.6	-59.2	-170.4	165.1	0	112.9	E523 A524 H531 P600 R603	E523-K527 HydrophobicContact CG-CG 4.44Å; E523-K527 WeakPolarHBondContact O-CG 3.35Å; E523-K527 PolarHBondContact O-N 3.27Å; A524-K527 PolarHBondContact O-N 2.77Å; K527-H531 PolarHBondContact O-N 2.78Å; K527-H531 VanDerWaalsContact O-N 3.17Å; K527-P600 HydrophobicContact CB-CB 3.96Å; K527-P600 VanDerWaalsContact CD-O 3.31Å; K527-P600 WeakPolarHBondContact CD-O 3.41Å; K527-P600 WeakPolarHBondContact CE-O 3.43Å; K527-P600 HydrophobicContact CG-CB 4.25Å; K527-R603 HydrophobicContact CD-CB 4.27Å; K527-R603 PolarHBondContact NZ-O 3.35Å; K527-R603 WeakPolarHBondContact O-CD 3.31Å; K527-R603 PolarHBondContact O-NH1 3.26Å
528	Q	95.1	Very high	89	Confident	114 Å²	114	37.5 Å²	37.5	53%	0.533	24%	0.236	S	C	.	.	H	α-helix	trans	-70.5	-40.9	170.4	-173.3	179.2	6.2	0	0	111	A524 A525 Q526 V530 H531 A532	A524-Q528 PolarHBondContact O-N 2.99Å; A525-Q528 WeakPolarHBondContact O-CB 3.04Å; A525-Q528 PolarHBondContact O-N 3.21Å; Q526-Q528 PolarHBondContact O-N 3.21Å; Q528-V530 VanDerWaalsContact C-N 3.33Å; Q528-V530 PolarHBondContact O-N 3.24Å; Q528-H531 WeakPolarHBondContact O-CB 3.18Å; Q528-H531 PolarHBondContact O-N 2.95Å; Q528-A532 PolarHBondContact O-N 2.91Å
529	D	96.6	Very high	90.2	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-62	-41	173.4	-65.3	-22.9	0	0	0	112	L475 H479 A487 H488 R489 A525 Q526 H531 A532 F533	L475-D529 HydrophobicContact CD2-CB 4.4Å; H479-D529 IonicContact CD2-OD2 2.95Å; H479-D529 IonicContact CE1-OD2 2.87Å; H479-D529 IonicContact NE2-OD2 3.22Å; H479-D529 PolarHBondContact NE2-OD2 2.65Å; A487-D529 VanDerWaalsContact CA-OD2 3.23Å; A487-D529 WeakPolarHBondContact CA-OD2 3.2Å; A487-D529 WeakPolarHBondContact CB-OD2 3.45Å; H488-D529 PolarHBondContact N-OD2 3.4Å; R489-D529 WeakPolarHBondContact CA-OD1 2.89Å; R489-D529 PolarHBondContact N-OD1 2.88Å; A525-D529 PolarHBondContact O-N 2.68Å; Q526-D529 WeakPolarHBondContact O-CB 3.36Å; Q526-D529 PolarHBondContact O-N 2.97Å; Q526-D529 VanDerWaalsContact O-N 3.16Å; D529-H531 VanDerWaalsContact C-N 3.32Å; D529-H531 PolarHBondContact O-N 2.85Å; D529-A532 PolarHBondContact O-N 2.83Å; D529-F533 WeakPolarHBondContact O-CB 3.38Å; D529-F533 PolarHBondContact O-N 3.27Å
530	V	97.9	Very high	91.4	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.012	19%	0.191	C	C	.	.	H	α-helix	trans	-60.3	-44.3	175.8	176	0	0	0	0	110.4	Q526 Q528 F533 G534 C595 R603 P604 M606	Q526-V530 WeakPolarHBondContact O-CG2 3.18Å; Q526-V530 PolarHBondContact O-N 2.95Å; Q528-V530 VanDerWaalsContact C-N 3.33Å; Q528-V530 PolarHBondContact O-N 3.24Å; V530-F533 PolarHBondContact O-N 2.97Å; V530-G534 PolarHBondContact O-N 2.94Å; V530-C595 HydrophobicContact CG1-CB 3.9Å; V530-C595 WeakPolarHBondContact O-CB 3.2Å; V530-R603 HydrophobicContact CG1-CB 3.98Å; V530-P604 WeakPolarHBondContact CG1-O 3.29Å; V530-P604 WeakPolarHBondContact CG2-O 3.44Å; V530-M606 HydrophobicContact CB-SD 4.39Å; V530-M606 HydrophobicContact CG2-CG 3.74Å; V530-M606 HydrophobicContact CG2-SD 3.88Å
531	H	97.7	Very high	93	Very high	52 Å²	52	26.6 Å²	26.6	24%	0.241	15%	0.153	C	C	.	.	H	α-helix	trans	-59.8	-48	174.4	178.2	-74.5	0	0	0	111.8	K527 Q528 D529 F533 G534 V535 C595	K527-H531 PolarHBondContact O-N 2.78Å; K527-H531 VanDerWaalsContact O-N 3.17Å; Q528-H531 WeakPolarHBondContact O-CB 3.18Å; Q528-H531 PolarHBondContact O-N 2.95Å; D529-H531 VanDerWaalsContact C-N 3.32Å; D529-H531 PolarHBondContact O-N 2.85Å; H531-F533 VanDerWaalsContact C-N 3.29Å; H531-F533 PolarHBondContact O-N 2.85Å; H531-G534 WeakPolarHBondContact O-CA 3.41Å; H531-G534 PolarHBondContact O-N 2.89Å; H531-G534 VanDerWaalsContact O-N 3.12Å; H531-V535 PolarHBondContact O-N 2.9Å; H531-C595 VanDerWaalsContact CA-O 3.28Å; H531-C595 WeakPolarHBondContact CA-O 3.49Å
532	A	97.4	Very high	94.2	Very high	20 Å²	20	24 Å²	24	17%	0.165	13%	0.131	C	C	.	.	H	α-helix	trans	-60.4	-39.5	177.4	0	0	0	0	0	112.1	L491 Q528 D529 G534 V535 V536	L491-A532 HydrophobicContact CB-CB 3.98Å; L491-A532 HydrophobicContact CD2-CB 4.49Å; L491-A532 WeakPolarHBondContact O-CB 3.37Å; Q528-A532 PolarHBondContact O-N 2.91Å; D529-A532 PolarHBondContact O-N 2.83Å; A532-G534 VanDerWaalsContact C-N 3.34Å; A532-V535 WeakPolarHBondContact O-CB 3.42Å; A532-V535 PolarHBondContact O-N 3.29Å; A532-V536 PolarHBondContact O-N 3.2Å; A532-V536 VanDerWaalsContact O-N 3.08Å
533	F	98.6	Very high	94.8	Very high	1 Å²	1	22.5 Å²	22.5	0%	0.004	12%	0.124	C	C	.	.	H	α-helix	trans	-64.9	-39	174.2	-173.9	-102.9	0	0	0	111.8	A468 A471 A472 L475 L491 D529 V530 H531 V535 V536 L537 M606 V609 I613	A468-F533 WeakPolarHBondContact O-CZ 3.13Å; A471-F533 HydrophobicContact CB-CE2 3.92Å; A472-F533 HydrophobicContact CB-CE1 3.97Å; A472-F533 HydrophobicContact CB-CE2 4.28Å; A472-F533 HydrophobicContact CB-CZ 3.55Å; L475-F533 HydrophobicContact CD2-CB 4.02Å; L475-F533 HydrophobicContact CD2-CD2 4.2Å; L475-F533 HydrophobicContact CD2-CG 4.26Å; L491-F533 HydrophobicContact CD2-CB 3.73Å; L491-F533 HydrophobicContact CD2-CD2 4.04Å; L491-F533 HydrophobicContact CD2-CG 4.39Å; D529-F533 WeakPolarHBondContact O-CB 3.38Å; D529-F533 PolarHBondContact O-N 3.27Å; V530-F533 PolarHBondContact O-N 2.97Å; H531-F533 VanDerWaalsContact C-N 3.29Å; H531-F533 PolarHBondContact O-N 2.85Å; F533-V535 VanDerWaalsContact C-N 3.29Å; F533-V535 PolarHBondContact O-N 2.94Å; F533-V536 WeakPolarHBondContact O-CB 3.46Å; F533-V536 PolarHBondContact O-N 3.05Å; F533-V536 VanDerWaalsContact O-N 3.11Å; F533-L537 HydrophobicContact CD1-CD1 4.06Å; F533-L537 HydrophobicContact CD1-CG 4.07Å; F533-L537 HydrophobicContact CE1-CD1 3.69Å; F533-L537 HydrophobicContact CE1-CD2 3.76Å; F533-L537 HydrophobicContact CE1-CG 3.69Å; F533-L537 HydrophobicContact CZ-CD2 3.75Å; F533-L537 HydrophobicContact CZ-CG 4.12Å; F533-L537 WeakPolarHBondContact O-CG 3.32Å; F533-L537 PolarHBondContact O-N 3.42Å; F533-M606 HydrophobicContact CB-CE 4.49Å; F533-M606 HydrophobicContact CB-SD 4.11Å; F533-M606 HydrophobicContact CD1-CE 3.59Å; F533-M606 HydrophobicContact CD1-SD 3.91Å; F533-M606 HydrophobicContact CD2-CE 4.27Å; F533-M606 HydrophobicContact CE1-CE 3.81Å; F533-M606 HydrophobicContact CE2-CE 4.47Å; F533-M606 HydrophobicContact CG-CE 3.84Å; F533-M606 HydrophobicContact CG-SD 4.06Å; F533-M606 HydrophobicContact CZ-CE 4.27Å; F533-V609 HydrophobicContact CD1-CG1 3.92Å; F533-V609 HydrophobicContact CE1-CG1 3.62Å; F533-I613 HydrophobicContact CE1-CD1 3.94Å; F533-I613 HydrophobicContact CZ-CD1 4.14Å
534	G	98.1	Very high	94.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.9	-39.9	171.7	0	0	0	0	0	112.9	V530 H531 A532 L537 L538 C595 V596	V530-G534 PolarHBondContact O-N 2.94Å; H531-G534 WeakPolarHBondContact O-CA 3.41Å; H531-G534 PolarHBondContact O-N 2.89Å; H531-G534 VanDerWaalsContact O-N 3.12Å; A532-G534 VanDerWaalsContact C-N 3.34Å; G534-L537 PolarHBondContact O-N 3.14Å; G534-L538 WeakPolarHBondContact O-CG 3.27Å; G534-L538 PolarHBondContact O-N 3.13Å; G534-C595 VanDerWaalsContact CA-CB 3.46Å; G534-V596 VanDerWaalsContact C-CG1 3.5Å
535	V	97	Very high	94.5	Very high	23 Å²	23	20.9 Å²	20.9	14%	0.139	10%	0.101	C	C	.	.	H	α-helix	trans	-63.4	-42.6	173.2	177.1	0	0	0	0	111.2	H531 A532 F533 L537 L538 E539 P546 L553 V596	H531-V535 PolarHBondContact O-N 2.9Å; A532-V535 WeakPolarHBondContact O-CB 3.42Å; A532-V535 PolarHBondContact O-N 3.29Å; F533-V535 VanDerWaalsContact C-N 3.29Å; F533-V535 PolarHBondContact O-N 2.94Å; V535-L537 VanDerWaalsContact C-N 3.34Å; V535-L537 PolarHBondContact O-N 3.39Å; V535-L538 WeakPolarHBondContact O-CB 3.33Å; V535-L538 PolarHBondContact O-N 2.99Å; V535-E539 WeakPolarHBondContact O-CB 2.85Å; V535-E539 PolarHBondContact O-N 3.27Å; V535-P546 HydrophobicContact CG1-CB 3.87Å; V535-P546 HydrophobicContact CG1-CG 4.16Å; V535-L553 HydrophobicContact CG1-CD2 4.43Å; V535-V596 HydrophobicContact CG2-CG1 4.13Å
536	V	97.9	Very high	94.2	Very high	2 Å²	2	23 Å²	23	1%	0.012	11%	0.114	C	C	.	.	H	α-helix	trans	-60.1	-42.5	173.9	172.9	0	0	0	0	111.4	L444 I496 A532 F533 L538 E539 I540	L444-V536 HydrophobicContact CD2-CG1 3.88Å; I496-V536 HydrophobicContact CD1-CB 4.5Å; I496-V536 HydrophobicContact CD1-CG1 3.69Å; I496-V536 HydrophobicContact CD1-CG2 4.2Å; A532-V536 PolarHBondContact O-N 3.2Å; A532-V536 VanDerWaalsContact O-N 3.08Å; F533-V536 WeakPolarHBondContact O-CB 3.46Å; F533-V536 PolarHBondContact O-N 3.05Å; F533-V536 VanDerWaalsContact O-N 3.11Å; V536-L538 VanDerWaalsContact C-N 3.31Å; V536-L538 PolarHBondContact O-N 2.96Å; V536-E539 WeakPolarHBondContact O-CB 3.35Å; V536-E539 PolarHBondContact O-N 3.26Å; V536-I540 HydrophobicContact CG1-CD1 4.03Å; V536-I540 HydrophobicContact CG1-CG1 4.43Å; V536-I540 VanDerWaalsContact O-CG1 3.29Å; V536-I540 WeakPolarHBondContact O-CG1 3.29Å; V536-I540 PolarHBondContact O-N 3.32Å
537	L	98	Very high	93.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.8	-40	175.8	-67.1	-176.6	0	0	0	112	A468 F533 G534 V535 I540 L541 L588 V591 A592 I613	A468-L537 HydrophobicContact CB-CD2 3.7Å; F533-L537 HydrophobicContact CD1-CD1 4.06Å; F533-L537 HydrophobicContact CD1-CG 4.07Å; F533-L537 HydrophobicContact CE1-CD1 3.69Å; F533-L537 HydrophobicContact CE1-CD2 3.76Å; F533-L537 HydrophobicContact CE1-CG 3.69Å; F533-L537 HydrophobicContact CZ-CD2 3.75Å; F533-L537 HydrophobicContact CZ-CG 4.12Å; F533-L537 WeakPolarHBondContact O-CG 3.32Å; F533-L537 PolarHBondContact O-N 3.42Å; G534-L537 PolarHBondContact O-N 3.14Å; V535-L537 VanDerWaalsContact C-N 3.34Å; V535-L537 PolarHBondContact O-N 3.39Å; L537-I540 HydrophobicContact CD2-CD1 4.49Å; L537-I540 PolarHBondContact O-N 3.46Å; L537-L541 WeakPolarHBondContact O-CB 3.41Å; L537-L541 WeakPolarHBondContact O-CD1 3.34Å; L537-L541 VanDerWaalsContact O-CG 3.31Å; L537-L541 WeakPolarHBondContact O-CG 3.37Å; L537-L541 PolarHBondContact O-N 3.19Å; L537-L588 HydrophobicContact CD1-CD1 4.35Å; L537-L588 HydrophobicContact CD2-CD1 4.08Å; L537-L588 HydrophobicContact CD2-CG 4.47Å; L537-V591 HydrophobicContact CD1-CG1 3.96Å; L537-A592 HydrophobicContact CB-CB 3.57Å; L537-A592 HydrophobicContact CD1-CB 4.08Å; L537-A592 HydrophobicContact CG-CB 4.5Å; L537-I613 HydrophobicContact CD1-CD1 4.31Å; L537-I613 HydrophobicContact CD2-CD1 4.14Å
538	L	95.4	Very high	91.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.1	-40.4	174.6	-67.4	176	0	0	0	111.6	G534 V535 V536 L541 T542 L553 A554 A557 L589 A592 V596	G534-L538 WeakPolarHBondContact O-CG 3.27Å; G534-L538 PolarHBondContact O-N 3.13Å; V535-L538 WeakPolarHBondContact O-CB 3.33Å; V535-L538 PolarHBondContact O-N 2.99Å; V536-L538 VanDerWaalsContact C-N 3.31Å; V536-L538 PolarHBondContact O-N 2.96Å; L538-L541 PolarHBondContact O-N 2.86Å; L538-T542 WeakPolarHBondContact O-CB 3.28Å; L538-T542 WeakPolarHBondContact O-CG2 3.18Å; L538-T542 PolarHBondContact O-N 3.34Å; L538-T542 PolarHBondContact O-OG1 3.48Å; L538-L553 HydrophobicContact CB-CD2 3.8Å; L538-L553 HydrophobicContact CB-CG 3.98Å; L538-L553 HydrophobicContact CD1-CG 4.39Å; L538-A554 HydrophobicContact CD1-CB 4.21Å; L538-A557 HydrophobicContact CD1-CB 3.78Å; L538-A557 HydrophobicContact CD2-CB 3.63Å; L538-A557 HydrophobicContact CG-CB 4.32Å; L538-L589 HydrophobicContact CD2-CD1 3.64Å; L538-A592 HydrophobicContact CD2-CB 3.8Å; L538-A592 HydrophobicContact CG-CB 4.03Å; L538-V596 HydrophobicContact CD1-CG1 4.3Å; L538-V596 HydrophobicContact CD1-CG2 4.32Å
539	E	94.8	Very high	89.9	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-60.7	-46.4	175.4	-174.3	176.2	-166.5	0	0	111	H445 L448 H449 S493 V535 V536 L541 T542 G543 R544 L553	H445-E539 IonicContact ND1-OE1 2.92Å; H445-E539 PolarHBondContact ND1-OE1 3.1Å; L448-E539 HydrophobicContact CD1-CG 4Å; H449-E539 IonicContact CD2-OE1 2.72Å; H449-E539 PolarHBondContact CD2-OE1 2.96Å; H449-E539 WeakPolarHBondContact NE2-CG 3.39Å; H449-E539 IonicContact NE2-OE1 3.35Å; H449-E539 PolarHBondContact NE2-OE1 3.32Å; S493-E539 WeakPolarHBondContact CB-OE1 3.44Å; S493-E539 WeakPolarHBondContact CB-OE2 3.12Å; S493-E539 PolarHBondContact OG-OE1 3.04Å; S493-E539 PolarHBondContact OG-OE2 3.09Å; V535-E539 WeakPolarHBondContact O-CB 2.85Å; V535-E539 PolarHBondContact O-N 3.27Å; V536-E539 WeakPolarHBondContact O-CB 3.35Å; V536-E539 PolarHBondContact O-N 3.26Å; E539-L541 PolarHBondContact O-N 3.18Å; E539-T542 PolarHBondContact O-N 3.38Å; E539-G543 WeakPolarHBondContact O-CA 2.99Å; E539-G543 PolarHBondContact O-N 3.13Å; E539-R544 WeakPolarHBondContact CG-O 3.48Å; E539-L553 HydrophobicContact CB-CD2 4.33Å
540	I	95.9	Very high	87.9	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-57.3	-46.6	174.5	-70.3	172	0	0	0	111.5	L444 L448 R464 A468 V536 L537	L444-I540 HydrophobicContact CD2-CD1 3.88Å; L444-I540 HydrophobicContact CD2-CG1 3.95Å; L448-I540 HydrophobicContact CD1-CG1 4.09Å; R464-I540 HydrophobicContact CB-CG2 3.67Å; R464-I540 VanDerWaalsContact CD-O 3.31Å; R464-I540 WeakPolarHBondContact CD-O 3.41Å; R464-I540 HydrophobicContact CG-CG2 4.2Å; R464-I540 PolarHBondContact NH1-O 3.17Å; A468-I540 HydrophobicContact CB-CD1 3.81Å; V536-I540 HydrophobicContact CG1-CD1 4.03Å; V536-I540 HydrophobicContact CG1-CG1 4.43Å; V536-I540 VanDerWaalsContact O-CG1 3.29Å; V536-I540 WeakPolarHBondContact O-CG1 3.29Å; V536-I540 PolarHBondContact O-N 3.32Å; L537-I540 HydrophobicContact CD2-CD1 4.49Å; L537-I540 PolarHBondContact O-N 3.46Å
541	L	93.9	Very high	86.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-71.4	-40.3	-177.3	-76.6	164.9	0	0	0	112.5	W461 L537 L538 E539 F570 D571 M585 L588 L589 A592	W461-L541 HydrophobicContact CH2-CD2 3.88Å; W461-L541 HydrophobicContact CZ3-CD2 3.67Å; L537-L541 WeakPolarHBondContact O-CB 3.41Å; L537-L541 WeakPolarHBondContact O-CD1 3.34Å; L537-L541 VanDerWaalsContact O-CG 3.31Å; L537-L541 WeakPolarHBondContact O-CG 3.37Å; L537-L541 PolarHBondContact O-N 3.19Å; L538-L541 PolarHBondContact O-N 2.86Å; E539-L541 PolarHBondContact O-N 3.18Å; L541-F570 HydrophobicContact CB-CD1 4.19Å; L541-F570 HydrophobicContact CD2-CD1 3.91Å; L541-F570 HydrophobicContact CD2-CE1 3.82Å; L541-F570 CarbonylContact O-C 3.53Å; L541-F570 WeakPolarHBondContact O-CA 3.39Å; L541-D571 PolarHBondContact O-N 3.22Å; L541-M585 HydrophobicContact CD2-CB 4.24Å; L541-L588 HydrophobicContact CD1-CB 4.37Å; L541-L588 HydrophobicContact CD1-CD2 4.44Å; L541-L588 HydrophobicContact CD1-CG 4.24Å; L541-L588 HydrophobicContact CD2-CB 4.31Å; L541-L588 HydrophobicContact CD2-CD2 4.11Å; L541-L588 HydrophobicContact CG-CD2 4.18Å; L541-L589 VanDerWaalsContact CD1-CA 3.48Å; L541-L589 HydrophobicContact CD1-CB 3.85Å; L541-L589 HydrophobicContact CD1-CD1 4.06Å; L541-A592 HydrophobicContact CD1-CB 4.47Å
542	T	89.3	Confident	85.7	Confident	7 Å²	7	41.7 Å²	41.7	4%	0.043	23%	0.229	C	C	.	.	H	α-helix	trans	-100.1	-18.1	-165.8	68.8	0	0	0	0	113.2	L538 E539 R544 W556 V569 D571	L538-T542 WeakPolarHBondContact O-CB 3.28Å; L538-T542 WeakPolarHBondContact O-CG2 3.18Å; L538-T542 PolarHBondContact O-N 3.34Å; L538-T542 PolarHBondContact O-OG1 3.48Å; E539-T542 PolarHBondContact O-N 3.38Å; T542-R544 PolarHBondContact O-N 3.21Å; T542-R544 PolarHBondContact OG1-N 2.81Å; T542-W556 HydrophobicContact CG2-CH2 4.19Å; T542-W556 HydrophobicContact CG2-CZ3 3.63Å; T542-V569 WeakPolarHBondContact CA-O 3.18Å; T542-V569 WeakPolarHBondContact CB-O 3.5Å; T542-V569 HydrophobicContact CG2-CG1 3.8Å; T542-V569 WeakPolarHBondContact CG2-O 3.27Å; T542-D571 WeakPolarHBondContact O-CA 3.35Å
543	G	88.8	Confident	85.1	Confident	7 Å²	7	41.2 Å²	41.2	7%	0.072	22%	0.224	C	C	.	.			trans	68.5	10.3	-172.8	0	0	0	0	0	114.1	H449 R452 E539 D571	H449-G543 PolarHBondContact CE1-O 3.44Å; H449-G543 VanDerWaalsContact CE1-O 3.3Å; H449-G543 PolarHBondContact ND1-O 2.88Å; R452-G543 VanDerWaalsContact CZ-O 3.25Å; R452-G543 PolarHBondContact NH2-O 3.26Å; E539-G543 WeakPolarHBondContact O-CA 2.99Å; E539-G543 PolarHBondContact O-N 3.13Å; G543-D571 WeakPolarHBondContact CA-OD2 3.39Å
544	R	87.1	Confident	84.6	Confident	136 Å²	136	41.1 Å²	41.1	51%	0.513	22%	0.223	S	C	.	.			trans	-98.6	127.9	-179	-64.1	174.2	178.7	-106	-2.6	110	H449 E539 T542 L553	H449-R544 VanDerWaalsContact CE1-C 3.43Å; E539-R544 WeakPolarHBondContact CG-O 3.48Å; T542-R544 PolarHBondContact O-N 3.21Å; T542-R544 PolarHBondContact OG1-N 2.81Å; R544-L553 HydrophobicContact CB-CD1 3.96Å
545	S	84.1	Confident	84.1	Confident	8 Å²	8	45.1 Å²	45.1	6%	0.056	24%	0.244	C	C	.	.			trans	-67.6	138.8	168.4	169.4	0	0	0	0	109.3	H449 E547 D548	H449-S545 PolarHBondContact CE1-N 3.11Å; H449-S545 VanDerWaalsContact CE1-N 3.26Å; S545-E547 PolarHBondContact O-N 3.25Å; S545-E547 WeakPolarHBondContact OG-CB 3.26Å; S545-E547 PolarHBondContact OG-N 2.96Å; S545-D548 WeakPolarHBondContact CB-OD2 3.46Å; S545-D548 PolarHBondContact O-N 3.05Å
546	P	83.5	Confident	83.4	Confident	53 Å²	53	45.1 Å²	45.1	34%	0.344	24%	0.242	S	C	.	.	S	Bend	trans	-63.3	-16	170	27.6	-33.9	0	0	0	112.7	V535	V535-P546 HydrophobicContact CG1-CB 3.87Å; V535-P546 HydrophobicContact CG1-CG 4.16Å
547	E	74.8	Confident	82.7	Confident	151 Å²	151	45 Å²	45	71%	0.706	24%	0.241	S	C	*	.	S	Bend	trans	-89.6	-23.2	180	-53.9	-173.5	161.9	0	0	113.3	S545 G549	S545-E547 PolarHBondContact O-N 3.25Å; S545-E547 WeakPolarHBondContact OG-CB 3.26Å; S545-E547 PolarHBondContact OG-N 2.96Å; E547-G549 PolarHBondContact O-N 3Å; E547-G549 VanDerWaalsContact O-N 3.12Å
548	D	65.6	Low	82	Confident	133 Å²	133	47.9 Å²	47.9	71%	0.711	25%	0.252	S	S	*	.	S	Bend	trans	-75.5	2.7	-172	-82.8	-19.6	0	0	0	114.7	S545	S545-D548 WeakPolarHBondContact CB-OD2 3.46Å; S545-D548 PolarHBondContact O-N 3.05Å
549	G	55.8	Low	81.1	Confident	43 Å²	43	49.1 Å²	49.1	44%	0.443	26%	0.26	S	S	.	.			trans	-145.2	144.5	-171	0	0	0	0	0	115.9	E547 V551	E547-G549 PolarHBondContact O-N 3Å; E547-G549 VanDerWaalsContact O-N 3.12Å; G549-V551 PolarHBondContact O-N 3.06Å
550	N	54.1	Low	80	Confident	147 Å²	147	49.1 Å²	49.1	79%	0.786	26%	0.26	S	S	*	.	S	Bend	trans	-63.3	3.1	164.5	-88.3	1.9	0	0	0	113.8	S229	S229-N550 PolarHBondContact OG-ND2 3.33Å
551	V	66.7	Low	79.1	Confident	63 Å²	63	49.9 Å²	49.9	38%	0.382	27%	0.265	S	S	.	.	S	Bend	trans	-123.6	122.4	-174	-172.5	0	0	0	0	108.3	G549 L553 W556	G549-V551 PolarHBondContact O-N 3.06Å; V551-L553 PolarHBondContact O-N 3.28Å; V551-L553 VanDerWaalsContact O-N 3.17Å; V551-W556 HydrophobicContact CG1-CB 3.9Å
552	D	82.1	Confident	77.7	Confident	80 Å²	80	59.2 Å²	59.2	43%	0.428	30%	0.3	S	S	.	.			trans	-51.2	119.1	168.9	171.3	2.7	0	0	0	110	A554 L555 W556	D552-A554 PolarHBondContact O-N 3.18Å; D552-A554 VanDerWaalsContact OD1-CB 3.32Å; D552-A554 WeakPolarHBondContact OD1-CB 3.36Å; D552-A554 PolarHBondContact OD1-N 3.21Å; D552-L555 HydrophobicContact CB-CB 3.83Å; D552-L555 PolarHBondContact O-N 2.97Å; D552-L555 PolarHBondContact OD1-N 3.18Å; D552-W556 WeakPolarHBondContact O-CB 3.16Å; D552-W556 PolarHBondContact O-N 3.37Å
553	L	86.1	Confident	76.4	Confident	9 Å²	9	60.2 Å²	60.2	5%	0.047	30%	0.304	C	S	.	.	H	α-helix	trans	-57.8	-38.5	-178.9	-176.8	62.5	0	0	0	111.6	V535 L538 E539 R544 V551 W556 A557	V535-L553 HydrophobicContact CG1-CD2 4.43Å; L538-L553 HydrophobicContact CB-CD2 3.8Å; L538-L553 HydrophobicContact CB-CG 3.98Å; L538-L553 HydrophobicContact CD1-CG 4.39Å; E539-L553 HydrophobicContact CB-CD2 4.33Å; R544-L553 HydrophobicContact CB-CD1 3.96Å; V551-L553 PolarHBondContact O-N 3.28Å; V551-L553 VanDerWaalsContact O-N 3.17Å; L553-W556 HydrophobicContact CD1-CE3 3.77Å; L553-W556 HydrophobicContact CD1-CZ3 4.09Å; L553-W556 PolarHBondContact O-N 2.87Å; L553-A557 WeakPolarHBondContact O-CB 3.14Å; L553-A557 PolarHBondContact O-N 3.24Å
554	A	88.5	Confident	74.6	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-67.3	-46.9	177.4	0	0	0	0	0	111.3	L538 D552 W556 A557 R558 V596	L538-A554 HydrophobicContact CD1-CB 4.21Å; D552-A554 PolarHBondContact O-N 3.18Å; D552-A554 VanDerWaalsContact OD1-CB 3.32Å; D552-A554 WeakPolarHBondContact OD1-CB 3.36Å; D552-A554 PolarHBondContact OD1-N 3.21Å; A554-W556 VanDerWaalsContact C-N 3.33Å; A554-W556 PolarHBondContact O-N 2.92Å; A554-A557 PolarHBondContact O-N 2.94Å; A554-R558 WeakPolarHBondContact O-CB 3.35Å; A554-R558 VanDerWaalsContact O-CG 3.28Å; A554-R558 WeakPolarHBondContact O-CG 2.98Å; A554-R558 PolarHBondContact O-N 3.11Å; A554-R558 PolarHBondContact O-NE 3.19Å; A554-V596 HydrophobicContact CB-CB 3.8Å; A554-V596 HydrophobicContact CB-CG1 3.99Å; A554-V596 HydrophobicContact CB-CG2 3.91Å
555	L	86.2	Confident	73.1	Confident	84 Å²	84	60.4 Å²	60.4	44%	0.44	30%	0.303	S	S	.	.	H	α-helix	trans	-61.1	-42.4	175.2	-178.1	62.1	0	0	0	111.7	D552 T559	D552-L555 HydrophobicContact CB-CB 3.83Å; D552-L555 PolarHBondContact O-N 2.97Å; D552-L555 PolarHBondContact OD1-N 3.18Å; L555-T559 WeakPolarHBondContact O-CB 3.31Å; L555-T559 PolarHBondContact O-N 3.08Å; L555-T559 PolarHBondContact O-OG1 2.96Å
556	W	82.8	Confident	71.9	Confident	22 Å²	22	60.5 Å²	60.5	8%	0.083	30%	0.304	C	S	.	.	H	α-helix	trans	-61.5	-50.7	176.5	171	68.7	0	0	0	111.5	T542 V551 D552 L553 A554 R558 T559 V560 V569	T542-W556 HydrophobicContact CG2-CH2 4.19Å; T542-W556 HydrophobicContact CG2-CZ3 3.63Å; V551-W556 HydrophobicContact CG1-CB 3.9Å; D552-W556 WeakPolarHBondContact O-CB 3.16Å; D552-W556 PolarHBondContact O-N 3.37Å; L553-W556 HydrophobicContact CD1-CE3 3.77Å; L553-W556 HydrophobicContact CD1-CZ3 4.09Å; L553-W556 PolarHBondContact O-N 2.87Å; A554-W556 VanDerWaalsContact C-N 3.33Å; A554-W556 PolarHBondContact O-N 2.92Å; W556-R558 PolarHBondContact O-N 2.6Å; W556-T559 PolarHBondContact O-N 2.96Å; W556-V560 HydrophobicContact CD2-CG2 3.94Å; W556-V560 VanDerWaalsContact CE2-CG2 3.47Å; W556-V560 HydrophobicContact CG-CG2 4.16Å; W556-V560 HydrophobicContact CZ2-CG2 3.86Å; W556-V560 WeakPolarHBondContact O-CG2 3.44Å; W556-V560 PolarHBondContact O-N 3.35Å; W556-V569 HydrophobicContact CH2-CB 4.46Å; W556-V569 HydrophobicContact CH2-CG1 4.07Å; W556-V569 HydrophobicContact CZ3-CG1 4.1Å
557	A	83.6	Confident	70.9	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.6	-45.4	-179.2	0	0	0	0	0	111.4	L538 L553 A554 T559 V560 V561 L593	L538-A557 HydrophobicContact CD1-CB 3.78Å; L538-A557 HydrophobicContact CD2-CB 3.63Å; L538-A557 HydrophobicContact CG-CB 4.32Å; L553-A557 WeakPolarHBondContact O-CB 3.14Å; L553-A557 PolarHBondContact O-N 3.24Å; A554-A557 PolarHBondContact O-N 2.94Å; A557-T559 PolarHBondContact O-N 3.3Å; A557-V560 PolarHBondContact O-N 3.24Å; A557-V561 WeakPolarHBondContact O-CG2 3.46Å; A557-V561 PolarHBondContact O-N 3.07Å; A557-L593 HydrophobicContact CB-CD2 4.2Å
558	R	83.5	Confident	70.4	Confident	60 Å²	60	53.6 Å²	53.6	23%	0.226	27%	0.268	C	S	.	.	H	α-helix	trans	-59.6	-44	175.2	-72	-178.2	-61.2	157	-13.9	112.5	A554 W556 R562 L593 D598	A554-R558 WeakPolarHBondContact O-CB 3.35Å; A554-R558 VanDerWaalsContact O-CG 3.28Å; A554-R558 WeakPolarHBondContact O-CG 2.98Å; A554-R558 PolarHBondContact O-N 3.11Å; A554-R558 PolarHBondContact O-NE 3.19Å; W556-R558 PolarHBondContact O-N 2.6Å; R558-R562 WeakPolarHBondContact O-CB 3.47Å; R558-R562 PolarHBondContact O-N 2.97Å; R558-L593 HydrophobicContact CG-CD2 3.69Å; R558-D598 IonicContact CZ-OD1 3.74Å; R558-D598 IonicContact CZ-OD2 3.52Å; R558-D598 IonicContact NH1-OD1 2.68Å; R558-D598 PolarHBondContact NH1-OD1 3.33Å; R558-D598 IonicContact NH1-OD2 3.07Å; R558-D598 PolarHBondContact NH1-OD2 3.22Å; R558-D598 IonicContact NH2-OD1 3.96Å; R558-D598 PolarHBondContact NH2-OD1 3.42Å; R558-D598 IonicContact NH2-OD2 3.47Å
559	T	75.8	Confident	70.8	Confident	27 Å²	27	47.4 Å²	47.4	17%	0.166	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-44.3	177.2	-54.9	0	0	0	0	110.7	L555 W556 A557 E563	L555-T559 WeakPolarHBondContact O-CB 3.31Å; L555-T559 PolarHBondContact O-N 3.08Å; L555-T559 PolarHBondContact O-OG1 2.96Å; W556-T559 PolarHBondContact O-N 2.96Å; A557-T559 PolarHBondContact O-N 3.3Å; T559-E563 WeakPolarHBondContact CG2-OE2 3.48Å; T559-E563 VanDerWaalsContact O-CB 3.28Å; T559-E563 WeakPolarHBondContact O-CB 3.31Å; T559-E563 VanDerWaalsContact O-CG 3.29Å; T559-E563 WeakPolarHBondContact O-CG 3.36Å; T559-E563 PolarHBondContact O-N 2.86Å
560	V	72.7	Confident	72.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.8	-48.5	179	-174.7	0	0	0	0	110.8	W556 A557 E563 E564 V569	W556-V560 HydrophobicContact CD2-CG2 3.94Å; W556-V560 VanDerWaalsContact CE2-CG2 3.47Å; W556-V560 HydrophobicContact CG-CG2 4.16Å; W556-V560 HydrophobicContact CZ2-CG2 3.86Å; W556-V560 WeakPolarHBondContact O-CG2 3.44Å; W556-V560 PolarHBondContact O-N 3.35Å; A557-V560 PolarHBondContact O-N 3.24Å; V560-E563 PolarHBondContact O-N 3.26Å; V560-E564 CarbonylContact O-C 3.55Å; V560-E564 PolarHBondContact O-N 3.3Å; V560-V569 HydrophobicContact CB-CG2 3.96Å; V560-V569 HydrophobicContact CG1-CG2 3.34Å
561	V	75.3	Confident	73.7	Confident	18 Å²	18	39.1 Å²	39.1	11%	0.109	18%	0.18	C	C	.	.	H	α-helix	trans	-70.1	-39.4	-176.1	174	0	0	0	0	112.7	A557 E563 W565 L589 L593	A557-V561 WeakPolarHBondContact O-CG2 3.46Å; A557-V561 PolarHBondContact O-N 3.07Å; V561-E563 PolarHBondContact O-N 3.06Å; V561-W565 HydrophobicContact CG1-CH2 4.41Å; V561-W565 HydrophobicContact CG1-CZ2 3.72Å; V561-L589 HydrophobicContact CG2-CD2 3.76Å; V561-L589 HydrophobicContact CG2-CG 4.32Å; V561-L593 HydrophobicContact CB-CD1 3.91Å; V561-L593 HydrophobicContact CG1-CD1 3.74Å; V561-L593 HydrophobicContact CG2-CD1 3.93Å
562	R	66.3	Low	74.2	Confident	196 Å²	196	40.6 Å²	40.6	74%	0.74	19%	0.189	S	C	*	.	H	α-helix	trans	-60.6	-32.6	174.7	-173.4	179.9	69.1	-179.4	0.1	111.9	R558	R558-R562 WeakPolarHBondContact O-CB 3.47Å; R558-R562 PolarHBondContact O-N 2.97Å
563	E	60.2	Low	74	Confident	27 Å²	27	38.9 Å²	38.9	13%	0.126	18%	0.178	C	C	.	.	H	α-helix	trans	-94.9	-51.2	-173	-67.3	175.3	174	0	0	110.8	R156 L181 T559 V560 V561	R156-E563 VanDerWaalsContact NH1-C 3.25Å; R156-E563 PolarHBondContact NH1-O 3.39Å; L181-E563 HydrophobicContact CD1-CB 3.86Å; L181-E563 VanDerWaalsContact CD1-CD 3.45Å; L181-E563 HydrophobicContact CD1-CG 4.01Å; L181-E563 WeakPolarHBondContact CD1-OE2 3.33Å; L181-E563 VanDerWaalsContact CD2-CD 3.44Å; L181-E563 WeakPolarHBondContact CD2-OE1 3.36Å; L181-E563 WeakPolarHBondContact CD2-OE2 3.28Å; L181-E563 WeakPolarHBondContact CG-OE2 3.36Å; T559-E563 WeakPolarHBondContact CG2-OE2 3.48Å; T559-E563 VanDerWaalsContact O-CB 3.28Å; T559-E563 WeakPolarHBondContact O-CB 3.31Å; T559-E563 VanDerWaalsContact O-CG 3.29Å; T559-E563 WeakPolarHBondContact O-CG 3.36Å; T559-E563 PolarHBondContact O-N 2.86Å; V560-E563 PolarHBondContact O-N 3.26Å; V561-E563 PolarHBondContact O-N 3.06Å
564	E	52.5	Low	73.7	Confident	22 Å²	22	38.5 Å²	38.5	10%	0.103	18%	0.176	C	C	.	.			trans	-145.4	117.4	175.2	-53.9	-167.3	162	0	0	112.4	K132 L133 R156 V560 T566	K132-E564 WeakPolarHBondContact CB-OE1 3.42Å; K132-E564 WeakPolarHBondContact CD-OE1 3.29Å; L133-E564 VanDerWaalsContact CD1-OE2 3.23Å; L133-E564 WeakPolarHBondContact CD1-OE2 3.37Å; L133-E564 WeakPolarHBondContact CD2-OE2 3.17Å; L133-E564 WeakPolarHBondContact CG-OE2 3.36Å; R156-E564 WeakPolarHBondContact CD-OE1 3.45Å; R156-E564 WeakPolarHBondContact CG-OE1 3.27Å; R156-E564 IonicContact CZ-OE1 3.25Å; R156-E564 IonicContact NE-OE1 2.76Å; R156-E564 PolarHBondContact NE-OE1 2.82Å; R156-E564 VanDerWaalsContact NE-OE1 3.07Å; V560-E564 CarbonylContact O-C 3.55Å; V560-E564 PolarHBondContact O-N 3.3Å; E564-T566 HydrophobicContact CB-CG2 3.63Å; E564-T566 PolarHBondContact O-N 3.14Å; E564-T566 PolarHBondContact O-OG1 3.25Å
565	W	55.1	Low	72.7	Confident	126 Å²	126	42 Å²	42	48%	0.477	20%	0.195	S	C	.	.			trans	-57.8	92.8	157.6	-84.9	86.5	0	0	0	108.9	V561 V586 L589 H590	V561-W565 HydrophobicContact CG1-CH2 4.41Å; V561-W565 HydrophobicContact CG1-CZ2 3.72Å; W565-V586 HydrophobicContact CE3-CG1 4.21Å; W565-V586 HydrophobicContact CE3-CG2 4.3Å; W565-V586 HydrophobicContact CH2-CG1 3.75Å; W565-V586 HydrophobicContact CZ3-CB 3.98Å; W565-V586 HydrophobicContact CZ3-CG1 3.31Å; W565-V586 HydrophobicContact CZ3-CG2 3.83Å; W565-L589 HydrophobicContact CZ3-CD2 4.39Å; W565-H590 AromaticContact CH2-CD2 3.6Å; W565-H590 AromaticContact CH2-CE1 3.25Å; W565-H590 WeakPolarHBondContact CH2-CE1 3.48Å; W565-H590 AromaticContact CH2-ND1 3.88Å; W565-H590 AromaticContact CH2-NE2 3.07Å; W565-H590 WeakPolarHBondContact CH2-NE2 3.22Å; W565-H590 AromaticContact CZ2-CD2 3.64Å; W565-H590 AromaticContact CZ2-CE1 3.56Å; W565-H590 AromaticContact CZ2-NE2 2.94Å; W565-H590 WeakPolarHBondContact CZ2-NE2 3.45Å
566	T	58.5	Low	71.7	Confident	10 Å²	10	43.6 Å²	43.6	6%	0.061	21%	0.21	C	C	.	.			trans	-128.7	127.5	178.2	51.8	0	0	0	0	107.5	L133 E564 E568 V569	L133-T566 HydrophobicContact CD1-CG2 4.18Å; E564-T566 HydrophobicContact CB-CG2 3.63Å; E564-T566 PolarHBondContact O-N 3.14Å; E564-T566 PolarHBondContact O-OG1 3.25Å; T566-E568 HydrophobicContact CG2-CG 4.2Å; T566-E568 PolarHBondContact O-N 2.98Å; T566-E568 WeakPolarHBondContact OG1-CB 3.43Å; T566-E568 WeakPolarHBondContact OG1-CG 3.45Å; T566-V569 PolarHBondContact O-N 3.19Å; T566-V569 VanDerWaalsContact O-N 3.12Å
567	S	63.5	Low	70.7	Confident	13 Å²	13	44.2 Å²	44.2	9%	0.091	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-59.9	-13.6	177.7	53.6	0	0	0	0	112.1	V569 F570 R578 E582	S567-V569 PolarHBondContact O-N 3.3Å; S567-V569 VanDerWaalsContact O-N 3.11Å; S567-F570 WeakPolarHBondContact O-CB 3.32Å; S567-F570 WeakPolarHBondContact O-CD2 3.44Å; S567-F570 PolarHBondContact O-N 3.09Å; S567-R578 PolarHBondContact O-NH2 3.25Å; S567-R578 PolarHBondContact OG-NH1 3Å; S567-R578 PolarHBondContact OG-NH2 3.28Å; S567-E582 WeakPolarHBondContact CB-OE1 3.36Å
568	E	63.5	Low	69.6	Low	45 Å²	45	45.7 Å²	45.7	21%	0.21	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-38.5	-33.6	161.1	-60.1	-92	111.7	0	0	117	R81 F107 L133 Y135 T566 F570	R81-E568 IonicContact CZ-OE1 3.95Å; R81-E568 IonicContact NH1-OE1 3.04Å; R81-E568 IonicContact NH2-OE1 2.64Å; R81-E568 PolarHBondContact NH2-OE1 3.27Å; F107-E568 HydrophobicContact CD2-CG 4.44Å; F107-E568 WeakPolarHBondContact CE1-OE1 3.46Å; F107-E568 HydrophobicContact CE2-CG 3.84Å; F107-E568 WeakPolarHBondContact CE2-OE1 3.5Å; F107-E568 WeakPolarHBondContact CE2-OE2 3.09Å; F107-E568 HydrophobicContact CZ-CG 4.39Å; F107-E568 WeakPolarHBondContact CZ-OE1 3.39Å; F107-E568 WeakPolarHBondContact CZ-OE2 3.48Å; L133-E568 HydrophobicContact CD1-CG 4.5Å; Y135-E568 PolarHBondContact OH-OE2 2.81Å; T566-E568 HydrophobicContact CG2-CG 4.2Å; T566-E568 PolarHBondContact O-N 2.98Å; T566-E568 WeakPolarHBondContact OG1-CB 3.43Å; T566-E568 WeakPolarHBondContact OG1-CG 3.45Å; E568-F570 PolarHBondContact O-N 3.33Å
569	V	74.5	Confident	68.5	Low	3 Å²	3	46.8 Å²	46.8	2%	0.018	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-62	-31.6	-178.6	175.7	0	0	0	0	109.2	T542 W556 V560 T566 S567 L589	T542-V569 WeakPolarHBondContact CA-O 3.18Å; T542-V569 WeakPolarHBondContact CB-O 3.5Å; T542-V569 HydrophobicContact CG2-CG1 3.8Å; T542-V569 WeakPolarHBondContact CG2-O 3.27Å; W556-V569 HydrophobicContact CH2-CB 4.46Å; W556-V569 HydrophobicContact CH2-CG1 4.07Å; W556-V569 HydrophobicContact CZ3-CG1 4.1Å; V560-V569 HydrophobicContact CB-CG2 3.96Å; V560-V569 HydrophobicContact CG1-CG2 3.34Å; T566-V569 PolarHBondContact O-N 3.19Å; T566-V569 VanDerWaalsContact O-N 3.12Å; S567-V569 PolarHBondContact O-N 3.3Å; S567-V569 VanDerWaalsContact O-N 3.11Å; V569-L589 HydrophobicContact CG1-CD1 4.2Å; V569-L589 HydrophobicContact CG1-CD2 4.18Å
570	F	85.8	Confident	68.4	Low	11 Å²	11	48.7 Å²	48.7	5%	0.048	28%	0.279	C	S	.	.	S	Bend	trans	-75.5	147.9	-177.1	-51.2	-51	0	0	0	112.3	L541 S567 E568 V572 M585 V586 L589	L541-F570 HydrophobicContact CB-CD1 4.19Å; L541-F570 HydrophobicContact CD2-CD1 3.91Å; L541-F570 HydrophobicContact CD2-CE1 3.82Å; L541-F570 CarbonylContact O-C 3.53Å; L541-F570 WeakPolarHBondContact O-CA 3.39Å; S567-F570 WeakPolarHBondContact O-CB 3.32Å; S567-F570 WeakPolarHBondContact O-CD2 3.44Å; S567-F570 PolarHBondContact O-N 3.09Å; E568-F570 PolarHBondContact O-N 3.33Å; F570-V572 PolarHBondContact O-N 3.03Å; F570-M585 HydrophobicContact CD1-CB 4.19Å; F570-M585 HydrophobicContact CD2-CB 4.32Å; F570-M585 HydrophobicContact CD2-SD 4.31Å; F570-M585 HydrophobicContact CE1-CB 3.8Å; F570-M585 HydrophobicContact CE2-CB 3.92Å; F570-M585 HydrophobicContact CG-CB 4.45Å; F570-M585 HydrophobicContact CG-SD 4.42Å; F570-M585 HydrophobicContact CZ-CB 3.66Å; F570-V586 HydrophobicContact CE2-CG2 4.16Å; F570-V586 HydrophobicContact CZ-CG2 3.98Å; F570-L589 HydrophobicContact CE1-CB 4.2Å; F570-L589 HydrophobicContact CE1-CD2 4.01Å; F570-L589 HydrophobicContact CZ-CD2 4.13Å
571	D	83.6	Confident	68.9	Low	6 Å²	6	49.1 Å²	49.1	3%	0.032	28%	0.282	C	S	.	.			trans	-50.8	136.6	174.6	-164.8	-17.5	0	0	0	110.2	R452 R464 L541 T542 G543 E573 L574	R452-D571 IonicContact CZ-OD2 2.65Å; R452-D571 IonicContact NH1-OD1 2.62Å; R452-D571 IonicContact NH1-OD2 3.66Å; R452-D571 IonicContact NH2-OD2 3.96Å; R452-D571 PolarHBondContact NH2-OD2 3.44Å; R452-D571 VanDerWaalsContact NH2-OD2 3.14Å; R464-D571 IonicContact CZ-OD2 3.05Å; R464-D571 IonicContact NH1-OD2 3.66Å; R464-D571 PolarHBondContact NH1-OD2 3.47Å; R464-D571 IonicContact NH2-OD2 3.99Å; R464-D571 PolarHBondContact NH2-OD2 2.68Å; L541-D571 PolarHBondContact O-N 3.22Å; T542-D571 WeakPolarHBondContact O-CA 3.35Å; G543-D571 WeakPolarHBondContact CA-OD2 3.39Å; D571-E573 PolarHBondContact O-N 3.47Å; D571-E573 PolarHBondContact OD1-N 2.93Å; D571-E573 VanDerWaalsContact OD1-N 3.14Å; D571-L574 HydrophobicContact CB-CD1 4.11Å; D571-L574 HydrophobicContact CB-CG 4.08Å; D571-L574 WeakPolarHBondContact O-CB 3.46Å; D571-L574 PolarHBondContact O-N 2.93Å
572	V	78.3	Confident	69.3	Low	93 Å²	93	51.4 Å²	51.4	56%	0.564	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-60.2	-29.3	176.2	70.1	0	0	0	0	111.1	F570 L574 L575	F570-V572 PolarHBondContact O-N 3.03Å; V572-L574 PolarHBondContact O-N 3.45Å; V572-L575 HydrophobicContact CG2-CD1 3.58Å; V572-L575 HydrophobicContact CG2-CG 4.35Å; V572-L575 VanDerWaalsContact O-CB 3.31Å; V572-L575 WeakPolarHBondContact O-CB 3.17Å; V572-L575 WeakPolarHBondContact O-CD1 3.16Å; V572-L575 WeakPolarHBondContact O-CG 3.44Å; V572-L575 PolarHBondContact O-N 3.25Å
573	E	76.8	Confident	70.2	Confident	44 Å²	44	46.2 Å²	46.2	21%	0.206	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-65.2	-19	175.1	-66.2	-179	170.6	0	0	113	R456 P458 R464 D571 P576	R456-E573 IonicContact CZ-OE2 3.9Å; R456-E573 IonicContact NH1-OE1 2.78Å; R456-E573 PolarHBondContact NH1-OE1 3.03Å; R456-E573 IonicContact NH1-OE2 2.88Å; R456-E573 PolarHBondContact NH1-OE2 3.23Å; R456-E573 VanDerWaalsContact NH1-OE2 3.09Å; R456-E573 IonicContact NH2-OE2 3.67Å; P458-E573 HydrophobicContact CB-CB 3.89Å; P458-E573 HydrophobicContact CB-CG 4.06Å; P458-E573 WeakPolarHBondContact CB-OE2 3.48Å; P458-E573 HydrophobicContact CG-CB 4.36Å; P458-E573 HydrophobicContact CG-CG 4.14Å; R464-E573 IonicContact NH2-OE2 3.12Å; R464-E573 PolarHBondContact NH2-OE2 3.14Å; D571-E573 PolarHBondContact O-N 3.47Å; D571-E573 PolarHBondContact OD1-N 2.93Å; D571-E573 VanDerWaalsContact OD1-N 3.14Å; E573-P576 VanDerWaalsContact O-CD 3.3Å; E573-P576 WeakPolarHBondContact O-CD 3.48Å
574	L	80.4	Confident	71.7	Confident	1 Å²	1	46 Å²	46	1%	0.005	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-89.6	-2.7	177.6	-66.6	176.1	0	0	0	113.6	W461 D571 V572 P576 S577 R578 M585	W461-L574 HydrophobicContact CB-CD2 4Å; W461-L574 HydrophobicContact CE3-CD1 4.2Å; W461-L574 HydrophobicContact CE3-CD2 4.42Å; D571-L574 HydrophobicContact CB-CD1 4.11Å; D571-L574 HydrophobicContact CB-CG 4.08Å; D571-L574 WeakPolarHBondContact O-CB 3.46Å; D571-L574 PolarHBondContact O-N 2.93Å; V572-L574 PolarHBondContact O-N 3.45Å; L574-P576 VanDerWaalsContact C-N 3.34Å; L574-S577 PolarHBondContact O-N 3.42Å; L574-S577 VanDerWaalsContact O-N 3.17Å; L574-R578 PolarHBondContact O-N 3.08Å; L574-R578 VanDerWaalsContact O-N 3.15Å; L574-M585 HydrophobicContact CB-CE 3.89Å; L574-M585 HydrophobicContact CD1-CE 4.3Å; L574-M585 HydrophobicContact CD2-CE 4.31Å; L574-M585 HydrophobicContact CG-CE 4.41Å
575	L	68.8	Low	73.5	Confident	75 Å²	75	45 Å²	45	39%	0.393	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-40.8	176.7	-72.4	176.1	0	0	0	114.1	V572 S577 R578	V572-L575 HydrophobicContact CG2-CD1 3.58Å; V572-L575 HydrophobicContact CG2-CG 4.35Å; V572-L575 VanDerWaalsContact O-CB 3.31Å; V572-L575 WeakPolarHBondContact O-CB 3.17Å; V572-L575 WeakPolarHBondContact O-CD1 3.16Å; V572-L575 WeakPolarHBondContact O-CG 3.44Å; V572-L575 PolarHBondContact O-N 3.25Å; L575-S577 VanDerWaalsContact C-N 3.31Å; L575-S577 PolarHBondContact O-N 2.9Å; L575-R578 WeakPolarHBondContact O-CB 3.38Å; L575-R578 PolarHBondContact O-N 3.11Å
576	P	63.3	Low	75.2	Confident	116 Å²	116	40.6 Å²	40.6	75%	0.753	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-38.5	178.2	-23	34.8	0	0	0	113	E573 L574	E573-P576 VanDerWaalsContact O-CD 3.3Å; E573-P576 WeakPolarHBondContact O-CD 3.48Å; L574-P576 VanDerWaalsContact C-N 3.34Å
577	S	63.1	Low	76.8	Confident	36 Å²	36	41.5 Å²	41.5	25%	0.252	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-14.5	-179.1	-49.9	0	0	0	0	113.4	L574 L575 G579 G580 A581	L574-S577 PolarHBondContact O-N 3.42Å; L574-S577 VanDerWaalsContact O-N 3.17Å; L575-S577 VanDerWaalsContact C-N 3.31Å; L575-S577 PolarHBondContact O-N 2.9Å; S577-G579 VanDerWaalsContact C-N 3.28Å; S577-G579 PolarHBondContact O-N 3.28Å; S577-G580 PolarHBondContact O-N 3.23Å; S577-A581 WeakPolarHBondContact O-CB 3.42Å; S577-A581 PolarHBondContact O-N 2.94Å; S577-A581 VanDerWaalsContact O-N 3.1Å
578	R	60.8	Low	78.4	Confident	30 Å²	30	40.9 Å²	40.9	11%	0.113	26%	0.264	C	S	.	.	H	α-helix	trans	-57.9	-37.1	-170.3	-168.7	-169.1	-89.9	174.6	-5.5	113.1	S567 L574 L575 G580 A581 E582	S567-R578 PolarHBondContact O-NH2 3.25Å; S567-R578 PolarHBondContact OG-NH1 3Å; S567-R578 PolarHBondContact OG-NH2 3.28Å; L574-R578 PolarHBondContact O-N 3.08Å; L574-R578 VanDerWaalsContact O-N 3.15Å; L575-R578 WeakPolarHBondContact O-CB 3.38Å; L575-R578 PolarHBondContact O-N 3.11Å; R578-G580 PolarHBondContact O-N 2.93Å; R578-G580 VanDerWaalsContact O-N 3.13Å; R578-A581 PolarHBondContact O-N 3.32Å; R578-E582 HydrophobicContact CG-CB 3.91Å; R578-E582 HydrophobicContact CG-CG 4.14Å; R578-E582 VanDerWaalsContact O-CB 3.29Å; R578-E582 WeakPolarHBondContact O-CB 3.34Å; R578-E582 PolarHBondContact O-N 2.89Å
579	G	60.5	Low	79.8	Confident	84 Å²	84	38.9 Å²	38.9	87%	0.866	26%	0.255	S	S	*	.	H	α-helix	trans	-55.3	-33.7	-176.2	0	0	0	0	0	114.9	S577	S577-G579 VanDerWaalsContact C-N 3.28Å; S577-G579 PolarHBondContact O-N 3.28Å
580	G	72.2	Confident	80.7	Confident	67 Å²	67	43 Å²	43	69%	0.691	27%	0.274	S	S	*	.	H	α-helix	trans	-107.2	-24.3	177.7	0	0	0	0	0	114.9	S577 R578	S577-G580 PolarHBondContact O-N 3.23Å; R578-G580 PolarHBondContact O-N 2.93Å; R578-G580 VanDerWaalsContact O-N 3.13Å
581	A	84.2	Confident	81.2	Confident	8 Å²	8	43 Å²	43	7%	0.066	27%	0.274	C	S	.	.	H	α-helix	trans	-107.9	-2.2	-169.9	0	0	0	0	0	115.3	W461 S577 R578 D583 E584 M585	W461-A581 HydrophobicContact CB-CB 4.45Å; W461-A581 HydrophobicContact CD2-CB 4.45Å; W461-A581 HydrophobicContact CG-CB 3.77Å; S577-A581 WeakPolarHBondContact O-CB 3.42Å; S577-A581 PolarHBondContact O-N 2.94Å; S577-A581 VanDerWaalsContact O-N 3.1Å; R578-A581 PolarHBondContact O-N 3.32Å; A581-D583 VanDerWaalsContact C-N 3.26Å; A581-D583 PolarHBondContact O-N 3.02Å; A581-E584 WeakPolarHBondContact O-CB 3.41Å; A581-E584 PolarHBondContact O-N 2.8Å; A581-M585 HydrophobicContact CB-CE 3.88Å; A581-M585 WeakPolarHBondContact O-CG 3.39Å; A581-M585 PolarHBondContact O-N 3.16Å
582	E	82.9	Confident	81.9	Confident	67 Å²	67	42.7 Å²	42.7	31%	0.313	27%	0.273	S	S	.	.	H	α-helix	trans	-54.3	-41.5	-176.3	-173.2	168.9	-154.5	0	0	112.7	S567 R578 E584 M585 V586	S567-E582 WeakPolarHBondContact CB-OE1 3.36Å; R578-E582 HydrophobicContact CG-CB 3.91Å; R578-E582 HydrophobicContact CG-CG 4.14Å; R578-E582 VanDerWaalsContact O-CB 3.29Å; R578-E582 WeakPolarHBondContact O-CB 3.34Å; R578-E582 PolarHBondContact O-N 2.89Å; E582-E584 VanDerWaalsContact C-N 3.31Å; E582-E584 PolarHBondContact O-N 3.27Å; E582-M585 PolarHBondContact O-N 3.14Å; E582-V586 HydrophobicContact CG-CG2 4.36Å; E582-V586 VanDerWaalsContact O-CB 3.31Å; E582-V586 WeakPolarHBondContact O-CB 3.45Å; E582-V586 WeakPolarHBondContact O-CG2 3.2Å; E582-V586 PolarHBondContact O-N 3.23Å
583	D	85.7	Confident	82.7	Confident	86 Å²	86	39.8 Å²	39.8	46%	0.46	25%	0.254	S	S	.	.	H	α-helix	trans	-63.5	-36.1	178.3	-71.9	-8.3	0	0	0	112.3	A581 A587 R623	A581-D583 VanDerWaalsContact C-N 3.26Å; A581-D583 PolarHBondContact O-N 3.02Å; D583-A587 WeakPolarHBondContact O-CB 3.23Å; D583-A587 PolarHBondContact O-N 2.82Å; D583-R623 IonicContact OD2-CZ 3.1Å; D583-R623 IonicContact OD2-NH1 3.33Å; D583-R623 PolarHBondContact OD2-NH1 3.4Å; D583-R623 IonicContact OD2-NH2 3.84Å; D583-R623 PolarHBondContact OD2-NH2 2.7Å
584	E	91.5	Very high	83.6	Confident	23 Å²	23	41.7 Å²	41.7	11%	0.107	27%	0.265	C	S	.	.	H	α-helix	trans	-72	-42	176.3	-63.2	169.5	-160.6	0	0	111.1	W461 A581 E582 V586 A587 L588 I616 G620	W461-E584 HydrophobicContact CZ2-CB 3.73Å; W461-E584 PolarHBondContact NE1-OE2 3.33Å; A581-E584 WeakPolarHBondContact O-CB 3.41Å; A581-E584 PolarHBondContact O-N 2.8Å; E582-E584 VanDerWaalsContact C-N 3.31Å; E582-E584 PolarHBondContact O-N 3.27Å; E584-V586 VanDerWaalsContact C-N 3.31Å; E584-V586 PolarHBondContact O-N 2.99Å; E584-A587 PolarHBondContact O-N 3.38Å; E584-L588 PolarHBondContact O-N 3.15Å; E584-I616 HydrophobicContact CB-CG2 3.76Å; E584-I616 HydrophobicContact CG-CG2 4.08Å; E584-G620 WeakPolarHBondContact OE1-CA 3.39Å
585	M	91.1	Very high	84.5	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.3	-43.3	175.1	-65.6	172	-179.5	0	0	111	W461 L541 F570 L574 A581 E582 L588 L589	W461-M585 HydrophobicContact CB-CE 3.65Å; W461-M585 HydrophobicContact CD2-CE 3.6Å; W461-M585 HydrophobicContact CD2-CG 3.67Å; W461-M585 HydrophobicContact CE3-CE 3.79Å; W461-M585 HydrophobicContact CE3-CG 3.61Å; W461-M585 HydrophobicContact CE3-SD 4.49Å; W461-M585 HydrophobicContact CG-CE 3.54Å; W461-M585 HydrophobicContact CG-CG 4.46Å; W461-M585 HydrophobicContact CH2-CB 4.13Å; W461-M585 HydrophobicContact CH2-CG 3.71Å; W461-M585 HydrophobicContact CZ2-CB 4.34Å; W461-M585 HydrophobicContact CZ2-CG 3.76Å; W461-M585 HydrophobicContact CZ3-CB 4.37Å; W461-M585 HydrophobicContact CZ3-CG 3.65Å; L541-M585 HydrophobicContact CD2-CB 4.24Å; F570-M585 HydrophobicContact CD1-CB 4.19Å; F570-M585 HydrophobicContact CD2-CB 4.32Å; F570-M585 HydrophobicContact CD2-SD 4.31Å; F570-M585 HydrophobicContact CE1-CB 3.8Å; F570-M585 HydrophobicContact CE2-CB 3.92Å; F570-M585 HydrophobicContact CG-CB 4.45Å; F570-M585 HydrophobicContact CG-SD 4.42Å; F570-M585 HydrophobicContact CZ-CB 3.66Å; L574-M585 HydrophobicContact CB-CE 3.89Å; L574-M585 HydrophobicContact CD1-CE 4.3Å; L574-M585 HydrophobicContact CD2-CE 4.31Å; L574-M585 HydrophobicContact CG-CE 4.41Å; A581-M585 HydrophobicContact CB-CE 3.88Å; A581-M585 WeakPolarHBondContact O-CG 3.39Å; A581-M585 PolarHBondContact O-N 3.16Å; E582-M585 PolarHBondContact O-N 3.14Å; M585-L588 PolarHBondContact O-N 2.89Å; M585-L589 WeakPolarHBondContact O-CB 3.3Å; M585-L589 PolarHBondContact O-N 3.05Å
586	V	89.6	Confident	85.8	Confident	35 Å²	35	38.1 Å²	38.1	21%	0.212	25%	0.246	C	C	.	.	H	α-helix	trans	-63.3	-43.6	174.8	160.4	0	0	0	0	111.1	W565 F570 E582 E584 L589 H590	W565-V586 HydrophobicContact CE3-CG1 4.21Å; W565-V586 HydrophobicContact CE3-CG2 4.3Å; W565-V586 HydrophobicContact CH2-CG1 3.75Å; W565-V586 HydrophobicContact CZ3-CB 3.98Å; W565-V586 HydrophobicContact CZ3-CG1 3.31Å; W565-V586 HydrophobicContact CZ3-CG2 3.83Å; F570-V586 HydrophobicContact CE2-CG2 4.16Å; F570-V586 HydrophobicContact CZ-CG2 3.98Å; E582-V586 HydrophobicContact CG-CG2 4.36Å; E582-V586 VanDerWaalsContact O-CB 3.31Å; E582-V586 WeakPolarHBondContact O-CB 3.45Å; E582-V586 WeakPolarHBondContact O-CG2 3.2Å; E582-V586 PolarHBondContact O-N 3.23Å; E584-V586 VanDerWaalsContact C-N 3.31Å; E584-V586 PolarHBondContact O-N 2.99Å; V586-L589 WeakPolarHBondContact O-CB 3.23Å; V586-L589 PolarHBondContact O-N 3.06Å; V586-H590 PolarHBondContact O-N 2.7Å; V586-H590 VanDerWaalsContact O-N 3.08Å; V586-H590 PolarHBondContact O-ND1 2.6Å
587	A	93.1	Very high	87.2	Confident	29 Å²	29	33.1 Å²	33.1	24%	0.24	22%	0.215	C	C	.	.	H	α-helix	trans	-64.6	-42.8	176.9	0	0	0	0	0	111.9	D583 E584 L589 H590 V591 I616	D583-A587 WeakPolarHBondContact O-CB 3.23Å; D583-A587 PolarHBondContact O-N 2.82Å; E584-A587 PolarHBondContact O-N 3.38Å; A587-L589 VanDerWaalsContact C-N 3.3Å; A587-L589 PolarHBondContact O-N 3.46Å; A587-H590 WeakPolarHBondContact O-CB 3.42Å; A587-H590 PolarHBondContact O-N 3.17Å; A587-V591 PolarHBondContact O-N 2.88Å; A587-V591 VanDerWaalsContact O-N 3.15Å; A587-I616 HydrophobicContact CB-CD1 3.61Å; A587-I616 HydrophobicContact CB-CG1 3.63Å; A587-I616 HydrophobicContact CB-CG2 4.24Å
588	L	96	Very high	88.6	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.9	-35.7	176.7	-170.1	66.6	0	0	0	111.4	W461 L465 A468 L537 L541 E584 M585 H590 V591 A592 I613 I616	W461-L588 HydrophobicContact CH2-CB 4.06Å; W461-L588 HydrophobicContact CH2-CD2 3.61Å; W461-L588 HydrophobicContact CH2-CG 4.48Å; W461-L588 HydrophobicContact CZ3-CD2 4.14Å; L465-L588 HydrophobicContact CD1-CD1 4.34Å; L465-L588 HydrophobicContact CD1-CD2 4.11Å; A468-L588 HydrophobicContact CB-CD2 4.4Å; L537-L588 HydrophobicContact CD1-CD1 4.35Å; L537-L588 HydrophobicContact CD2-CD1 4.08Å; L537-L588 HydrophobicContact CD2-CG 4.47Å; L541-L588 HydrophobicContact CD1-CB 4.37Å; L541-L588 HydrophobicContact CD1-CD2 4.44Å; L541-L588 HydrophobicContact CD1-CG 4.24Å; L541-L588 HydrophobicContact CD2-CB 4.31Å; L541-L588 HydrophobicContact CD2-CD2 4.11Å; L541-L588 HydrophobicContact CG-CD2 4.18Å; E584-L588 PolarHBondContact O-N 3.15Å; M585-L588 PolarHBondContact O-N 2.89Å; L588-H590 VanDerWaalsContact C-N 3.33Å; L588-H590 PolarHBondContact O-N 2.64Å; L588-V591 WeakPolarHBondContact O-CB 3.15Å; L588-V591 PolarHBondContact O-N 3.22Å; L588-A592 PolarHBondContact O-N 3.18Å; L588-I613 HydrophobicContact CD1-CD1 3.99Å; L588-I613 HydrophobicContact CD1-CG1 3.69Å; L588-I613 HydrophobicContact CD1-CG2 4.23Å; L588-I616 HydrophobicContact CB-CD1 4.44Å
589	L	93.6	Very high	90.1	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-61.3	-41.5	174	-178.4	59.1	0	0	0	111.6	L538 L541 V561 W565 V569 F570 M585 V586 A587 V591 A592 L593	L538-L589 HydrophobicContact CD2-CD1 3.64Å; L541-L589 VanDerWaalsContact CD1-CA 3.48Å; L541-L589 HydrophobicContact CD1-CB 3.85Å; L541-L589 HydrophobicContact CD1-CD1 4.06Å; V561-L589 HydrophobicContact CG2-CD2 3.76Å; V561-L589 HydrophobicContact CG2-CG 4.32Å; W565-L589 HydrophobicContact CZ3-CD2 4.39Å; V569-L589 HydrophobicContact CG1-CD1 4.2Å; V569-L589 HydrophobicContact CG1-CD2 4.18Å; F570-L589 HydrophobicContact CE1-CB 4.2Å; F570-L589 HydrophobicContact CE1-CD2 4.01Å; F570-L589 HydrophobicContact CZ-CD2 4.13Å; M585-L589 WeakPolarHBondContact O-CB 3.3Å; M585-L589 PolarHBondContact O-N 3.05Å; V586-L589 WeakPolarHBondContact O-CB 3.23Å; V586-L589 PolarHBondContact O-N 3.06Å; A587-L589 VanDerWaalsContact C-N 3.3Å; A587-L589 PolarHBondContact O-N 3.46Å; L589-V591 VanDerWaalsContact C-N 3.35Å; L589-V591 PolarHBondContact O-N 3.05Å; L589-A592 WeakPolarHBondContact O-CB 3.11Å; L589-A592 PolarHBondContact O-N 3.31Å; L589-L593 HydrophobicContact CD1-CG 4.43Å; L589-L593 HydrophobicContact CG-CD1 4.41Å; L589-L593 VanDerWaalsContact O-CG 3.29Å; L589-L593 WeakPolarHBondContact O-CG 3.28Å; L589-L593 PolarHBondContact O-N 2.98Å
590	H	93.6	Very high	91.7	Very high	90 Å²	90	38.2 Å²	38.2	42%	0.417	23%	0.225	S	C	.	.	H	α-helix	trans	-60.6	-44.1	173.2	-71.8	131.9	0	0	0	112.3	W565 V586 A587 L588 A592 L593 L594	W565-H590 AromaticContact CH2-CD2 3.6Å; W565-H590 AromaticContact CH2-CE1 3.25Å; W565-H590 WeakPolarHBondContact CH2-CE1 3.48Å; W565-H590 AromaticContact CH2-ND1 3.88Å; W565-H590 AromaticContact CH2-NE2 3.07Å; W565-H590 WeakPolarHBondContact CH2-NE2 3.22Å; W565-H590 AromaticContact CZ2-CD2 3.64Å; W565-H590 AromaticContact CZ2-CE1 3.56Å; W565-H590 AromaticContact CZ2-NE2 2.94Å; W565-H590 WeakPolarHBondContact CZ2-NE2 3.45Å; V586-H590 PolarHBondContact O-N 2.7Å; V586-H590 VanDerWaalsContact O-N 3.08Å; V586-H590 PolarHBondContact O-ND1 2.6Å; A587-H590 WeakPolarHBondContact O-CB 3.42Å; A587-H590 PolarHBondContact O-N 3.17Å; L588-H590 VanDerWaalsContact C-N 3.33Å; L588-H590 PolarHBondContact O-N 2.64Å; H590-A592 VanDerWaalsContact C-N 3.31Å; H590-A592 PolarHBondContact O-N 3.15Å; H590-L593 PolarHBondContact O-N 3.21Å; H590-L594 WeakPolarHBondContact O-CG 3.02Å; H590-L594 PolarHBondContact O-N 3.14Å
591	V	97.4	Very high	92.7	Very high	9 Å²	9	37.8 Å²	37.8	6%	0.055	22%	0.221	C	C	.	.	H	α-helix	trans	-59.8	-44.6	175.9	177.1	0	0	0	0	110.4	L537 A587 L588 L589 L593 L594 C595 V609 M612 I613 I616	L537-V591 HydrophobicContact CD1-CG1 3.96Å; A587-V591 PolarHBondContact O-N 2.88Å; A587-V591 VanDerWaalsContact O-N 3.15Å; L588-V591 WeakPolarHBondContact O-CB 3.15Å; L588-V591 PolarHBondContact O-N 3.22Å; L589-V591 VanDerWaalsContact C-N 3.35Å; L589-V591 PolarHBondContact O-N 3.05Å; V591-L593 VanDerWaalsContact C-N 3.35Å; V591-L593 PolarHBondContact O-N 3.12Å; V591-L594 PolarHBondContact O-N 3.12Å; V591-C595 PolarHBondContact O-N 2.83Å; V591-C595 PolarHBondContact O-SG 3.09Å; V591-V609 HydrophobicContact CG1-CG1 3.8Å; V591-M612 HydrophobicContact CG2-CB 3.82Å; V591-M612 HydrophobicContact CG2-SD 4.24Å; V591-I613 HydrophobicContact CG1-CG1 4.23Å; V591-I616 HydrophobicContact CG2-CD1 3.93Å
592	A	97.3	Very high	93.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.9	-45.3	176.6	0	0	0	0	0	111.9	L537 L538 L541 L588 L589 H590 C595 V596	L537-A592 HydrophobicContact CB-CB 3.57Å; L537-A592 HydrophobicContact CD1-CB 4.08Å; L537-A592 HydrophobicContact CG-CB 4.5Å; L538-A592 HydrophobicContact CD2-CB 3.8Å; L538-A592 HydrophobicContact CG-CB 4.03Å; L541-A592 HydrophobicContact CD1-CB 4.47Å; L588-A592 PolarHBondContact O-N 3.18Å; L589-A592 WeakPolarHBondContact O-CB 3.11Å; L589-A592 PolarHBondContact O-N 3.31Å; H590-A592 VanDerWaalsContact C-N 3.31Å; H590-A592 PolarHBondContact O-N 3.15Å; A592-C595 WeakPolarHBondContact O-CB 3.43Å; A592-C595 PolarHBondContact O-N 3.1Å; A592-C595 VanDerWaalsContact O-N 3.14Å; A592-V596 WeakPolarHBondContact O-CG2 3.29Å; A592-V596 PolarHBondContact O-N 3.18Å
593	L	94.6	Very high	93.9	Very high	32 Å²	32	41.9 Å²	41.9	17%	0.168	24%	0.237	C	C	.	.	H	α-helix	trans	-65.4	-37.6	178.9	-69.1	176.9	0	0	0	113.4	A557 R558 V561 L589 H590 V591 C595 V596 A597	A557-L593 HydrophobicContact CB-CD2 4.2Å; R558-L593 HydrophobicContact CG-CD2 3.69Å; V561-L593 HydrophobicContact CB-CD1 3.91Å; V561-L593 HydrophobicContact CG1-CD1 3.74Å; V561-L593 HydrophobicContact CG2-CD1 3.93Å; L589-L593 HydrophobicContact CD1-CG 4.43Å; L589-L593 HydrophobicContact CG-CD1 4.41Å; L589-L593 VanDerWaalsContact O-CG 3.29Å; L589-L593 WeakPolarHBondContact O-CG 3.28Å; L589-L593 PolarHBondContact O-N 2.98Å; H590-L593 PolarHBondContact O-N 3.21Å; V591-L593 VanDerWaalsContact C-N 3.35Å; V591-L593 PolarHBondContact O-N 3.12Å; L593-C595 VanDerWaalsContact C-N 3.29Å; L593-V596 HydrophobicContact CD2-CG2 4.39Å; L593-V596 PolarHBondContact O-N 2.86Å; L593-A597 PolarHBondContact O-N 3.08Å
594	L	96.7	Very high	94.5	Very high	85 Å²	85	38.9 Å²	38.9	45%	0.445	22%	0.222	S	C	.	.	H	α-helix	trans	-63	-38.4	171.6	-71	171.6	0	0	0	111.4	H590 V591 P604 M612	H590-L594 WeakPolarHBondContact O-CG 3.02Å; H590-L594 PolarHBondContact O-N 3.14Å; V591-L594 PolarHBondContact O-N 3.12Å; L594-P604 HydrophobicContact CB-CG 4.47Å; L594-M612 HydrophobicContact CD1-CE 4.44Å
595	C	98.2	Very high	94.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68.1	-36.7	178.6	-66.7	0	0	0	0	112.4	V530 H531 G534 V591 A592 L593 R603	V530-C595 HydrophobicContact CG1-CB 3.9Å; V530-C595 WeakPolarHBondContact O-CB 3.2Å; H531-C595 VanDerWaalsContact CA-O 3.28Å; H531-C595 WeakPolarHBondContact CA-O 3.49Å; G534-C595 VanDerWaalsContact CA-CB 3.46Å; V591-C595 PolarHBondContact O-N 2.83Å; V591-C595 PolarHBondContact O-SG 3.09Å; A592-C595 WeakPolarHBondContact O-CB 3.43Å; A592-C595 PolarHBondContact O-N 3.1Å; A592-C595 VanDerWaalsContact O-N 3.14Å; L593-C595 VanDerWaalsContact C-N 3.29Å; C595-R603 VanDerWaalsContact O-CD 3.25Å; C595-R603 WeakPolarHBondContact O-CD 3.37Å; C595-R603 WeakPolarHBondContact O-CG 3.3Å
596	V	96.1	Very high	95	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	21	179.8	-55.1	0	0	0	0	114.4	G534 V535 L538 A554 A592 L593	G534-V596 VanDerWaalsContact C-CG1 3.5Å; V535-V596 HydrophobicContact CG2-CG1 4.13Å; L538-V596 HydrophobicContact CD1-CG1 4.3Å; L538-V596 HydrophobicContact CD1-CG2 4.32Å; A554-V596 HydrophobicContact CB-CB 3.8Å; A554-V596 HydrophobicContact CB-CG1 3.99Å; A554-V596 HydrophobicContact CB-CG2 3.91Å; A592-V596 WeakPolarHBondContact O-CG2 3.29Å; A592-V596 PolarHBondContact O-N 3.18Å; L593-V596 HydrophobicContact CD2-CG2 4.39Å; L593-V596 PolarHBondContact O-N 2.86Å
597	A	94.3	Very high	95.4	Very high	12 Å²	12	47.4 Å²	47.4	10%	0.099	26%	0.264	C	S	.	.			trans	-56.8	143.2	174.2	0	0	0	0	0	111.3	L593 D599 E602 R603	L593-A597 PolarHBondContact O-N 3.08Å; A597-D599 VanDerWaalsContact C-N 3.35Å; A597-D599 PolarHBondContact O-N 2.99Å; A597-E602 HydrophobicContact CB-CB 3.95Å; A597-R603 HydrophobicContact CB-CG 4.09Å; A597-R603 VanDerWaalsContact O-CZ 3.25Å; A597-R603 PolarHBondContact O-NE 3.18Å; A597-R603 PolarHBondContact O-NH2 2.93Å
598	D	91.6	Very high	95.6	Very high	114 Å²	114	49.2 Å²	49.2	61%	0.61	27%	0.272	S	S	*	.	S	Bend	trans	-64.2	-43.1	-179.1	-70.7	-36.9	0	0	0	110.7	R558 P600 R603	R558-D598 IonicContact CZ-OD1 3.74Å; R558-D598 IonicContact CZ-OD2 3.52Å; R558-D598 IonicContact NH1-OD1 2.68Å; R558-D598 PolarHBondContact NH1-OD1 3.33Å; R558-D598 IonicContact NH1-OD2 3.07Å; R558-D598 PolarHBondContact NH1-OD2 3.22Å; R558-D598 IonicContact NH2-OD1 3.96Å; R558-D598 PolarHBondContact NH2-OD1 3.42Å; R558-D598 IonicContact NH2-OD2 3.47Å; D598-P600 WeakPolarHBondContact O-CD 2.99Å; D598-R603 PolarHBondContact O-NH2 3.1Å
599	D	92.1	Very high	95.7	Very high	85 Å²	85	49.2 Å²	49.2	46%	0.455	27%	0.272	S	S	.	.	S	Bend	trans	-76.3	120.1	174.6	-178	11.8	0	0	0	110.9	A597 G601 E602	A597-D599 VanDerWaalsContact C-N 3.35Å; A597-D599 PolarHBondContact O-N 2.99Å; D599-G601 PolarHBondContact O-N 3.41Å; D599-G601 PolarHBondContact OD1-N 2.87Å; D599-E602 HydrophobicContact CB-CG 4.06Å; D599-E602 PolarHBondContact O-N 2.93Å
600	P	93.7	Very high	96	Very high	58 Å²	58	49.6 Å²	49.6	38%	0.377	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.3	172.5	-24	35	0	0	0	114.3	K527 D598 R603	K527-P600 HydrophobicContact CB-CB 3.96Å; K527-P600 VanDerWaalsContact CD-O 3.31Å; K527-P600 WeakPolarHBondContact CD-O 3.41Å; K527-P600 WeakPolarHBondContact CE-O 3.43Å; K527-P600 HydrophobicContact CG-CB 4.25Å; D598-P600 WeakPolarHBondContact O-CD 2.99Å; P600-R603 PolarHBondContact O-N 3.27Å
601	G	93.6	Very high	96.2	Very high	58 Å²	58	50 Å²	50	60%	0.598	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-35.5	177.9	0	0	0	0	0	113.5	D599 R603	D599-G601 PolarHBondContact O-N 3.41Å; D599-G601 PolarHBondContact OD1-N 2.87Å; G601-R603 VanDerWaalsContact C-N 3.32Å
602	E	94.7	Very high	96.3	Very high	135 Å²	135	52.5 Å²	52.5	63%	0.631	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-21.6	179.3	-66.6	-176.1	163.2	0	0	113	A597 D599	A597-E602 HydrophobicContact CB-CB 3.95Å; D599-E602 HydrophobicContact CB-CG 4.06Å; D599-E602 PolarHBondContact O-N 2.93Å
603	R	97.6	Very high	96.3	Very high	26 Å²	26	52.5 Å²	52.5	10%	0.098	29%	0.288	C	S	.	.	S	Bend	trans	-70	129.9	-178	-58.8	176.9	-164.7	151.7	9.8	110.2	K527 V530 C595 A597 D598 P600 G601	K527-R603 HydrophobicContact CD-CB 4.27Å; K527-R603 PolarHBondContact NZ-O 3.35Å; K527-R603 WeakPolarHBondContact O-CD 3.31Å; K527-R603 PolarHBondContact O-NH1 3.26Å; V530-R603 HydrophobicContact CG1-CB 3.98Å; C595-R603 VanDerWaalsContact O-CD 3.25Å; C595-R603 WeakPolarHBondContact O-CD 3.37Å; C595-R603 WeakPolarHBondContact O-CG 3.3Å; A597-R603 HydrophobicContact CB-CG 4.09Å; A597-R603 VanDerWaalsContact O-CZ 3.25Å; A597-R603 PolarHBondContact O-NE 3.18Å; A597-R603 PolarHBondContact O-NH2 2.93Å; D598-R603 PolarHBondContact O-NH2 3.1Å; P600-R603 PolarHBondContact O-N 3.27Å; G601-R603 VanDerWaalsContact C-N 3.32Å
604	P	97.6	Very high	96.4	Very high	22 Å²	22	53.6 Å²	53.6	14%	0.143	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-66.4	165.1	177.3	27.2	-35.2	0	0	0	112.5	V530 L594 V608 V609	V530-P604 WeakPolarHBondContact CG1-O 3.29Å; V530-P604 WeakPolarHBondContact CG2-O 3.44Å; L594-P604 HydrophobicContact CB-CG 4.47Å; P604-V608 HydrophobicContact CB-CB 4.25Å; P604-V608 HydrophobicContact CB-CG1 4.21Å; P604-V609 HydrophobicContact CB-CG2 4.04Å; P604-V609 HydrophobicContact CG-CG2 3.47Å; P604-V609 VanDerWaalsContact CG-CG2 3.47Å
605	R	96.8	Very high	96.4	Very high	169 Å²	169	52.5 Å²	52.5	64%	0.638	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-74.4	150.3	167.4	-67	-176.6	177.6	-175.6	-1.3	109.9	A607 V608 V609	R605-A607 VanDerWaalsContact C-N 3.26Å; R605-A607 PolarHBondContact O-N 2.03Å; R605-V608 HydrophobicContact CB-CG2 4.43Å; R605-V608 WeakPolarHBondContact O-CA 3.43Å; R605-V608 WeakPolarHBondContact O-CB 3.36Å; R605-V608 PolarHBondContact O-N 2.99Å; R605-V609 PolarHBondContact O-N 3.37Å
606	M	97.4	Very high	96.3	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-59.5	-32.1	-179	-79.1	-54.3	-50.4	0	0	114.3	A472 L475 A476 H479 V530 F533 V608 V609 A610	A472-M606 HydrophobicContact CB-CE 3.98Å; L475-M606 HydrophobicContact CB-CE 4.24Å; L475-M606 HydrophobicContact CD2-CE 3.86Å; L475-M606 HydrophobicContact CD2-CG 3.76Å; L475-M606 HydrophobicContact CD2-SD 3.79Å; L475-M606 HydrophobicContact CG-CE 4.38Å; L475-M606 HydrophobicContact CG-CG 3.94Å; A476-M606 HydrophobicContact CB-CB 4.05Å; H479-M606 WeakPolarHBondContact ND1-CG 3.3Å; V530-M606 HydrophobicContact CB-SD 4.39Å; V530-M606 HydrophobicContact CG2-CG 3.74Å; V530-M606 HydrophobicContact CG2-SD 3.88Å; F533-M606 HydrophobicContact CB-CE 4.49Å; F533-M606 HydrophobicContact CB-SD 4.11Å; F533-M606 HydrophobicContact CD1-CE 3.59Å; F533-M606 HydrophobicContact CD1-SD 3.91Å; F533-M606 HydrophobicContact CD2-CE 4.27Å; F533-M606 HydrophobicContact CE1-CE 3.81Å; F533-M606 HydrophobicContact CE2-CE 4.47Å; F533-M606 HydrophobicContact CG-CE 3.84Å; F533-M606 HydrophobicContact CG-SD 4.06Å; F533-M606 HydrophobicContact CZ-CE 4.27Å; M606-V608 VanDerWaalsContact C-N 3.26Å; M606-V608 PolarHBondContact O-N 3.34Å; M606-V609 HydrophobicContact CE-CB 4.01Å; M606-V609 HydrophobicContact CE-CG1 3.97Å; M606-V609 PolarHBondContact O-N 3.35Å; M606-V609 HydrophobicContact SD-CB 4.17Å; M606-V609 HydrophobicContact SD-CG1 4.37Å; M606-V609 HydrophobicContact SD-CG2 4.2Å; M606-A610 WeakPolarHBondContact O-CB 3.28Å; M606-A610 PolarHBondContact O-N 3.23Å
607	A	97.2	Very high	96.1	Very high	67 Å²	67	57.2 Å²	57.2	55%	0.554	31%	0.306	S	S	*	.	H	α-helix	trans	-60.3	-36.7	172.7	0	0	0	0	0	112.7	A476 R605 K611	A476-A607 HydrophobicContact CB-CB 4.48Å; R605-A607 VanDerWaalsContact C-N 3.26Å; R605-A607 PolarHBondContact O-N 2.03Å; A607-K611 PolarHBondContact O-N 2.96Å
608	V	98.2	Very high	95.9	Very high	68 Å²	68	59.7 Å²	59.7	41%	0.412	32%	0.317	S	S	.	.	H	α-helix	trans	-71.6	-42.7	175.4	179	0	0	0	0	110.2	P604 R605 M606 K611 M612	P604-V608 HydrophobicContact CB-CB 4.25Å; P604-V608 HydrophobicContact CB-CG1 4.21Å; R605-V608 HydrophobicContact CB-CG2 4.43Å; R605-V608 WeakPolarHBondContact O-CA 3.43Å; R605-V608 WeakPolarHBondContact O-CB 3.36Å; R605-V608 PolarHBondContact O-N 2.99Å; M606-V608 VanDerWaalsContact C-N 3.26Å; M606-V608 PolarHBondContact O-N 3.34Å; V608-K611 PolarHBondContact O-N 2.85Å; V608-M612 HydrophobicContact CG1-CE 3.64Å; V608-M612 HydrophobicContact CG1-CG 4.45Å; V608-M612 HydrophobicContact CG1-SD 4.23Å; V608-M612 VanDerWaalsContact O-CG 3.32Å; V608-M612 WeakPolarHBondContact O-CG 3.25Å; V608-M612 PolarHBondContact O-N 2.78Å
609	V	98.6	Very high	95.7	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-59.3	-48.1	175.8	177.1	0	0	0	0	111.2	F533 V591 P604 R605 M606 K611 M612 I613	F533-V609 HydrophobicContact CD1-CG1 3.92Å; F533-V609 HydrophobicContact CE1-CG1 3.62Å; V591-V609 HydrophobicContact CG1-CG1 3.8Å; P604-V609 HydrophobicContact CB-CG2 4.04Å; P604-V609 HydrophobicContact CG-CG2 3.47Å; P604-V609 VanDerWaalsContact CG-CG2 3.47Å; R605-V609 PolarHBondContact O-N 3.37Å; M606-V609 HydrophobicContact CE-CB 4.01Å; M606-V609 HydrophobicContact CE-CG1 3.97Å; M606-V609 PolarHBondContact O-N 3.35Å; M606-V609 HydrophobicContact SD-CB 4.17Å; M606-V609 HydrophobicContact SD-CG1 4.37Å; M606-V609 HydrophobicContact SD-CG2 4.2Å; V609-K611 VanDerWaalsContact C-N 3.26Å; V609-K611 PolarHBondContact O-N 3.09Å; V609-M612 WeakPolarHBondContact O-CB 3.35Å; V609-M612 PolarHBondContact O-N 2.97Å; V609-I613 HydrophobicContact CG1-CD1 3.99Å; V609-I613 WeakPolarHBondContact O-CG1 3.2Å; V609-I613 PolarHBondContact O-N 2.9Å
610	A	98.5	Very high	94.9	Very high	11 Å²	11	59.3 Å²	59.3	9%	0.091	30%	0.304	C	S	.	.	H	α-helix	trans	-57.7	-41.6	177.1	0	0	0	0	0	111.4	A472 Q473 A476 M606 I613 E614	A472-A610 HydrophobicContact CB-CB 3.9Å; Q473-A610 HydrophobicContact CG-CB 4.37Å; A476-A610 HydrophobicContact CB-CB 4.32Å; M606-A610 WeakPolarHBondContact O-CB 3.28Å; M606-A610 PolarHBondContact O-N 3.23Å; A610-I613 PolarHBondContact O-N 2.82Å; A610-E614 WeakPolarHBondContact O-CB 3.4Å; A610-E614 PolarHBondContact O-N 3.3Å
611	K	98.2	Very high	93.9	Very high	98 Å²	98	59.5 Å²	59.5	43%	0.426	31%	0.307	S	S	.	.	H	α-helix	trans	-66.7	-42	176.3	-173	51.9	176.3	152.1	0	112.8	A607 V608 V609 I613 E614 D615	A607-K611 PolarHBondContact O-N 2.96Å; V608-K611 PolarHBondContact O-N 2.85Å; V609-K611 VanDerWaalsContact C-N 3.26Å; V609-K611 PolarHBondContact O-N 3.09Å; K611-I613 VanDerWaalsContact C-N 3.31Å; K611-I613 PolarHBondContact O-N 2.87Å; K611-E614 WeakPolarHBondContact CD-OE2 3.45Å; K611-E614 IonicContact NZ-OE2 3.58Å; K611-E614 PolarHBondContact NZ-OE2 3.19Å; K611-E614 PolarHBondContact O-N 3.18Å; K611-D615 WeakPolarHBondContact CE-OD1 3.24Å; K611-D615 IonicContact NZ-OD1 2.68Å; K611-D615 PolarHBondContact NZ-OD1 3.49Å; K611-D615 VanDerWaalsContact O-CG 3.29Å; K611-D615 PolarHBondContact O-N 2.76Å
612	M	98.5	Very high	92.6	Very high	62 Å²	62	62.6 Å²	62.6	31%	0.305	30%	0.304	S	S	.	.	H	α-helix	trans	-58.8	-42.3	174.9	-71.4	171	172.2	0	0	111.7	V591 L594 V608 V609 D615 I616	V591-M612 HydrophobicContact CG2-CB 3.82Å; V591-M612 HydrophobicContact CG2-SD 4.24Å; L594-M612 HydrophobicContact CD1-CE 4.44Å; V608-M612 HydrophobicContact CG1-CE 3.64Å; V608-M612 HydrophobicContact CG1-CG 4.45Å; V608-M612 HydrophobicContact CG1-SD 4.23Å; V608-M612 VanDerWaalsContact O-CG 3.32Å; V608-M612 WeakPolarHBondContact O-CG 3.25Å; V608-M612 PolarHBondContact O-N 2.78Å; V609-M612 WeakPolarHBondContact O-CB 3.35Å; V609-M612 PolarHBondContact O-N 2.97Å; M612-D615 PolarHBondContact O-N 3.04Å; M612-I616 WeakPolarHBondContact O-CD1 3.41Å; M612-I616 VanDerWaalsContact O-CG1 3.27Å; M612-I616 WeakPolarHBondContact O-CG1 3.21Å; M612-I616 PolarHBondContact O-N 3.39Å; M612-I616 VanDerWaalsContact O-N 3.16Å
613	I	98.1	Very high	90.9	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-70.6	-41	179.6	-61.2	172.7	0	0	0	111.4	L465 Q469 A472 F533 L537 L588 V591 V609 A610 K611 D615 I616 R617	L465-I613 HydrophobicContact CD1-CG2 4Å; Q469-I613 HydrophobicContact CB-CG2 3.76Å; Q469-I613 HydrophobicContact CG-CG2 4.3Å; A472-I613 HydrophobicContact CB-CD1 3.96Å; F533-I613 HydrophobicContact CE1-CD1 3.94Å; F533-I613 HydrophobicContact CZ-CD1 4.14Å; L537-I613 HydrophobicContact CD1-CD1 4.31Å; L537-I613 HydrophobicContact CD2-CD1 4.14Å; L588-I613 HydrophobicContact CD1-CD1 3.99Å; L588-I613 HydrophobicContact CD1-CG1 3.69Å; L588-I613 HydrophobicContact CD1-CG2 4.23Å; V591-I613 HydrophobicContact CG1-CG1 4.23Å; V609-I613 HydrophobicContact CG1-CD1 3.99Å; V609-I613 WeakPolarHBondContact O-CG1 3.2Å; V609-I613 PolarHBondContact O-N 2.9Å; A610-I613 PolarHBondContact O-N 2.82Å; K611-I613 VanDerWaalsContact C-N 3.31Å; K611-I613 PolarHBondContact O-N 2.87Å; I613-D615 VanDerWaalsContact C-N 3.33Å; I613-D615 PolarHBondContact O-N 3.11Å; I613-I616 WeakPolarHBondContact O-CB 3.33Å; I613-I616 PolarHBondContact O-N 3.21Å; I613-R617 PolarHBondContact O-N 2.64Å; I613-R617 VanDerWaalsContact O-N 3.09Å
614	E	96.8	Very high	88.9	Confident	55 Å²	55	65.4 Å²	65.4	26%	0.257	32%	0.32	S	S	.	.	H	α-helix	trans	-56.4	-47.7	172.9	-179.5	-177.7	-135.9	0	0	111.4	A610 K611 I616 R617 D618	A610-E614 WeakPolarHBondContact O-CB 3.4Å; A610-E614 PolarHBondContact O-N 3.3Å; K611-E614 WeakPolarHBondContact CD-OE2 3.45Å; K611-E614 IonicContact NZ-OE2 3.58Å; K611-E614 PolarHBondContact NZ-OE2 3.19Å; K611-E614 PolarHBondContact O-N 3.18Å; E614-I616 VanDerWaalsContact C-N 3.28Å; E614-I616 PolarHBondContact O-N 3.22Å; E614-R617 PolarHBondContact O-N 3.49Å; E614-R617 VanDerWaalsContact O-N 3.16Å; E614-D618 PolarHBondContact O-N 3.4Å
615	D	96.7	Very high	86.6	Confident	62 Å²	62	72.4 Å²	72.4	33%	0.332	34%	0.344	S	S	.	.	H	α-helix	trans	-63.4	-32.9	179.8	-70.4	-9.2	0	0	0	112.4	K611 M612 I613 R619	K611-D615 WeakPolarHBondContact CE-OD1 3.24Å; K611-D615 IonicContact NZ-OD1 2.68Å; K611-D615 PolarHBondContact NZ-OD1 3.49Å; K611-D615 VanDerWaalsContact O-CG 3.29Å; K611-D615 PolarHBondContact O-N 2.76Å; M612-D615 PolarHBondContact O-N 3.04Å; I613-D615 VanDerWaalsContact C-N 3.33Å; I613-D615 PolarHBondContact O-N 3.11Å; D615-R619 WeakPolarHBondContact O-CB 3.35Å; D615-R619 WeakPolarHBondContact O-CD 2.91Å; D615-R619 WeakPolarHBondContact O-CG 3.29Å; D615-R619 PolarHBondContact O-N 3.1Å; D615-R619 VanDerWaalsContact O-N 3.14Å
616	I	95.3	Very high	84	Confident	17 Å²	17	74.1 Å²	74.1	9%	0.087	35%	0.352	C	S	.	.	H	α-helix	trans	-64	-50.4	173.4	-68.5	164.2	0	0	0	110.1	L465 E584 A587 L588 V591 M612 I613 E614 D618 R619 G620	L465-I616 HydrophobicContact CD1-CG2 4.34Å; L465-I616 HydrophobicContact CD2-CG2 4.39Å; E584-I616 HydrophobicContact CB-CG2 3.76Å; E584-I616 HydrophobicContact CG-CG2 4.08Å; A587-I616 HydrophobicContact CB-CD1 3.61Å; A587-I616 HydrophobicContact CB-CG1 3.63Å; A587-I616 HydrophobicContact CB-CG2 4.24Å; L588-I616 HydrophobicContact CB-CD1 4.44Å; V591-I616 HydrophobicContact CG2-CD1 3.93Å; M612-I616 WeakPolarHBondContact O-CD1 3.41Å; M612-I616 VanDerWaalsContact O-CG1 3.27Å; M612-I616 WeakPolarHBondContact O-CG1 3.21Å; M612-I616 PolarHBondContact O-N 3.39Å; M612-I616 VanDerWaalsContact O-N 3.16Å; I613-I616 WeakPolarHBondContact O-CB 3.33Å; I613-I616 PolarHBondContact O-N 3.21Å; E614-I616 VanDerWaalsContact C-N 3.28Å; E614-I616 PolarHBondContact O-N 3.22Å; I616-D618 PolarHBondContact O-N 2.89Å; I616-R619 PolarHBondContact O-N 2.8Å; I616-G620 PolarHBondContact O-N 3.05Å; I616-G620 VanDerWaalsContact O-N 3.13Å
617	R	92.5	Very high	81.3	Confident	81 Å²	81	78.7 Å²	78.7	31%	0.306	38%	0.384	S	S	.	.	H	α-helix	trans	-60.2	-44.5	179.5	-173.9	-168.9	68.1	177.2	5.9	112	L465 Q469 I613 E614 G620 S621	L465-R617 HydrophobicContact CD2-CB 4.06Å; L465-R617 HydrophobicContact CD2-CG 4.33Å; Q469-R617 VanDerWaalsContact CD-NH1 3.32Å; Q469-R617 VanDerWaalsContact NE2-CZ 3.3Å; I613-R617 PolarHBondContact O-N 2.64Å; I613-R617 VanDerWaalsContact O-N 3.09Å; E614-R617 PolarHBondContact O-N 3.49Å; E614-R617 VanDerWaalsContact O-N 3.16Å; R617-G620 PolarHBondContact O-N 2.83Å; R617-S621 PolarHBondContact O-N 3.13Å
618	D	90.7	Very high	78.2	Confident	64 Å²	64	78.5 Å²	78.5	34%	0.342	38%	0.382	S	S	.	.	H	α-helix	trans	-69.9	-34.8	-176.3	-72.8	0.6	0	0	0	112.4	E614 I616 G620 K622	E614-D618 PolarHBondContact O-N 3.4Å; I616-D618 PolarHBondContact O-N 2.89Å; D618-G620 VanDerWaalsContact C-N 3.34Å; D618-K622 WeakPolarHBondContact O-CG 3.37Å; D618-K622 PolarHBondContact O-N 3.27Å; D618-K622 VanDerWaalsContact O-N 3.17Å
619	R	86.1	Confident	74.9	Confident	183 Å²	183	79.5 Å²	79.5	69%	0.691	39%	0.392	S	S	*	.	H	α-helix	trans	-64.8	-38.8	171.8	-75	174.1	-173	-140.3	3.2	111.7	D615 I616 K622 R623	D615-R619 WeakPolarHBondContact O-CB 3.35Å; D615-R619 WeakPolarHBondContact O-CD 2.91Å; D615-R619 WeakPolarHBondContact O-CG 3.29Å; D615-R619 PolarHBondContact O-N 3.1Å; D615-R619 VanDerWaalsContact O-N 3.14Å; I616-R619 PolarHBondContact O-N 2.8Å; R619-K622 PolarHBondContact O-N 2.77Å; R619-R623 PolarHBondContact O-N 3.34Å
620	G	76.7	Confident	71.8	Confident	8 Å²	8	85.3 Å²	85.3	8%	0.082	43%	0.43	C	S	.	.	H	α-helix	trans	-59	-51.3	173.4	0	0	0	0	0	113.7	E584 I616 R617 D618 K622 R623 S624	E584-G620 WeakPolarHBondContact OE1-CA 3.39Å; I616-G620 PolarHBondContact O-N 3.05Å; I616-G620 VanDerWaalsContact O-N 3.13Å; R617-G620 PolarHBondContact O-N 2.83Å; D618-G620 VanDerWaalsContact C-N 3.34Å; G620-K622 VanDerWaalsContact C-N 3.3Å; G620-K622 PolarHBondContact O-N 3.03Å; G620-R623 PolarHBondContact O-N 3.43Å; G620-R623 VanDerWaalsContact O-N 3.09Å; G620-S624 PolarHBondContact O-N 2.87Å
621	S	71.9	Confident	68.8	Low	63 Å²	63	89.5 Å²	89.5	44%	0.441	46%	0.458	S	S	.	.	H	α-helix	trans	-59.6	-37.6	178.1	177.8	0	0	0	0	113.1	R617 R625	R617-S621 PolarHBondContact O-N 3.13Å; S621-R625 PolarHBondContact O-N 3.16Å
622	K	67.2	Low	65.6	Low	123 Å²	123	93.7 Å²	93.7	54%	0.535	48%	0.48	S	S	.	.	H	α-helix	trans	-65.2	-41.8	174.6	-73.7	176.8	-177.5	176.8	0	111.7	D618 R619 G620 R625 Y626	D618-K622 WeakPolarHBondContact O-CG 3.37Å; D618-K622 PolarHBondContact O-N 3.27Å; D618-K622 VanDerWaalsContact O-N 3.17Å; R619-K622 PolarHBondContact O-N 2.77Å; G620-K622 VanDerWaalsContact C-N 3.3Å; G620-K622 PolarHBondContact O-N 3.03Å; K622-R625 PolarHBondContact O-N 3.14Å; K622-Y626 WeakPolarHBondContact O-CD2 3.36Å; K622-Y626 PolarHBondContact O-N 2.99Å
623	R	57.6	Low	62.3	Low	141 Å²	141	97.7 Å²	97.7	53%	0.532	51%	0.507	S	S	.	.	H	α-helix	trans	-66	-40.5	178.4	-77.7	176.9	172	-173.9	-5.6	113	D583 R619 G620 R625 Y626 S627	D583-R623 IonicContact OD2-CZ 3.1Å; D583-R623 IonicContact OD2-NH1 3.33Å; D583-R623 PolarHBondContact OD2-NH1 3.4Å; D583-R623 IonicContact OD2-NH2 3.84Å; D583-R623 PolarHBondContact OD2-NH2 2.7Å; R619-R623 PolarHBondContact O-N 3.34Å; G620-R623 PolarHBondContact O-N 3.43Å; G620-R623 VanDerWaalsContact O-N 3.09Å; R623-R625 PolarHBondContact O-N 3.06Å; R623-Y626 PolarHBondContact O-N 2.89Å; R623-S627 PolarHBondContact O-N 2.9Å; R623-S627 PolarHBondContact O-OG 3.15Å
624	S	56.6	Low	59	Low	79 Å²	79	100.2 Å²	100.2	55%	0.552	53%	0.533	S	S	*	.	H	α-helix	trans	-57.7	-31.4	175	-175.2	0	0	0	0	112.7	G620 S627 A628	G620-S624 PolarHBondContact O-N 2.87Å; S624-S627 PolarHBondContact O-OG 2.7Å; S624-A628 PolarHBondContact O-N 3.18Å
625	R	50.1	Low	55.8	Low	169 Å²	169	105.9 Å²	105.9	64%	0.638	56%	0.559	S	S	*	*	H	α-helix	trans	-74.4	-29.2	175.6	-78	-175.9	-81	169.4	-11.2	113.9	S621 K622 R623	S621-R625 PolarHBondContact O-N 3.16Å; K622-R625 PolarHBondContact O-N 3.14Å; R623-R625 PolarHBondContact O-N 3.06Å
626	Y	41.4	Very low	52.4	Low	205 Å²	205	108.7 Å²	108.7	80%	0.804	58%	0.584	S	S	*	*	H	α-helix	trans	-90.8	-23	178	-69.7	-71.3	0	0	0	113.4	K622 R623 A628	K622-Y626 WeakPolarHBondContact O-CD2 3.36Å; K622-Y626 PolarHBondContact O-N 2.99Å; R623-Y626 PolarHBondContact O-N 2.89Å; Y626-A628 VanDerWaalsContact C-N 3.34Å
627	S	40.1	Very low	49.3	Very low	97 Å²	97	117 Å²	117	68%	0.678	62%	0.616	S	S	*	*	H	α-helix	trans	-80.2	-16.3	174.2	64.4	0	0	0	0	113.3	R623 S624 S629	R623-S627 PolarHBondContact O-N 2.9Å; R623-S627 PolarHBondContact O-OG 3.15Å; S624-S627 PolarHBondContact O-OG 2.7Å; S627-S629 PolarHBondContact O-N 2.74Å
628	A	32	Very low	46.2	Very low	62 Å²	62	122.4 Å²	122.4	51%	0.512	64%	0.644	S	S	.	*	S	Bend	trans	-71.5	105.5	161.6	0	0	0	0	0	107.4	S624 Y626	S624-A628 PolarHBondContact O-N 3.18Å; Y626-A628 VanDerWaalsContact C-N 3.34Å
629	S	28.9	Very low	43.3	Very low	90 Å²	90	123.8 Å²	123.8	63%	0.629	66%	0.659	S	S	*	*			trans	-46.9	136.4	171.4	-76.5	0	0	0	0	109.9	S627 S631	S627-S629 PolarHBondContact O-N 2.74Å; S629-S631 PolarHBondContact O-N 2.82Å
630	P	34.5	Very low	40.5	Very low	122 Å²	122	120.1 Å²	120.1	79%	0.792	66%	0.661	S	S	*	*	S	Bend	trans	-62.3	4.1	-178.8	-23.1	32.8	0	0	0	116	Q632	P630-Q632 VanDerWaalsContact C-N 3.27Å; P630-Q632 PolarHBondContact O-N 2.88Å; P630-Q632 VanDerWaalsContact O-N 3.15Å
631	S	35.4	Very low	38.3	Very low	98 Å²	98	126 Å²	126	69%	0.685	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	62.2	173.7	61.9	0	0	0	0	111.1	S629	S629-S631 PolarHBondContact O-N 2.82Å
632	Q	30.4	Very low	36.2	Very low	187 Å²	187	128.1 Å²	128.1	87%	0.874	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	176.2	58.5	154.3	-98.2	171	22.4	0	0	109.5	P630 G634	P630-Q632 VanDerWaalsContact C-N 3.27Å; P630-Q632 PolarHBondContact O-N 2.88Å; P630-Q632 VanDerWaalsContact O-N 3.15Å; Q632-G634 PolarHBondContact O-N 3.03Å
633	V	29.6	Very low	34.2	Very low	146 Å²	146	129.6 Å²	129.6	89%	0.885	73%	0.725	S	S	*	*			trans	-84.9	97.1	154.5	178.3	0	0	0	0	105.7
634	G	28.1	Very low	33	Very low	53 Å²	53	128.6 Å²	128.6	55%	0.546	74%	0.74	S	S	.	*			trans	-176.4	107.6	178	0	0	0	0	0	111.2	Q632	Q632-G634 PolarHBondContact O-N 3.03Å
635	H	29.4	Very low	31.9	Very low	173 Å²	173	132.9 Å²	132.9	80%	0.801	75%	0.751	S	S	*	*			trans	86.3	82.7	166	-48.8	-66.7	0	0	0	116.9	Y637	H635-Y637 PolarHBondContact O-N 2.73Å
636	S	26.6	Very low	30.8	Very low	121 Å²	121	131.7 Å²	131.7	85%	0.846	76%	0.757	S	S	*	*			trans	-46.6	124.7	138.7	50.8	0	0	0	0	110.9
637	Y	30.6	Very low	30.5	Very low	193 Å²	193	128.6 Å²	128.6	76%	0.757	76%	0.76	S	S	*	*			trans	-142.1	111.5	146.7	60.9	-81.3	0	0	0	108.2	H635	H635-Y637 PolarHBondContact O-N 2.73Å
638	E	26.2	Very low	29.9	Very low	193 Å²	193	129.3 Å²	129.3	90%	0.902	76%	0.76	S	S	*	*			trans	-57.8	129.7	152.7	-71.5	171.4	142	0	0	107.2
639	S	31.1	Very low	29.8	Very low	93 Å²	93	137 Å²	137	65%	0.65	78%	0.776	S	S	*	*			trans	-144	89	163.5	-72	0	0	0	0	108.1
640	S	26.6	Very low	30.1	Very low	106 Å²	106	138.8 Å²	138.8	74%	0.741	79%	0.789	S	S	*	*			trans	-52.6	134.2	154.7	-59.4	0	0	0	0	109.7	S642	S640-S642 PolarHBondContact O-N 3.17Å
641	P	29.9	Very low	29.8	Very low	133 Å²	133	138.8 Å²	138.8	86%	0.864	79%	0.787	S	S	*	*			trans	-81	99.3	168.7	30.1	-28.4	0	0	0	108.8
642	S	27.5	Very low	29.7	Very low	107 Å²	107	141.9 Å²	141.9	75%	0.748	80%	0.796	S	S	*	*			trans	-87.4	127.9	162.6	50.7	0	0	0	0	110	S640	S640-S642 PolarHBondContact O-N 3.17Å
643	I	26	Very low	29.6	Very low	154 Å²	154	136.8 Å²	136.8	79%	0.79	79%	0.785	S	S	*	*			trans	-35.9	130.3	164.7	-77.4	160.6	0	0	0	111.7	E645	I643-E645 HydrophobicContact CG2-CG 4.2Å
644	S	33.3	Very low	29.8	Very low	120 Å²	120	135.2 Å²	135.2	84%	0.839	78%	0.781	S	S	*	*			trans	-104.8	106.1	163.1	15.4	0	0	0	0	108
645	E	31.7	Very low	29.8	Very low	168 Å²	168	138.3 Å²	138.3	79%	0.785	79%	0.794	S	S	*	*			trans	-79.7	142.1	157	-79.4	178	138.5	0	0	109.6	I643	I643-E645 HydrophobicContact CG2-CG 4.2Å
646	D	28.7	Very low	30.6	Very low	145 Å²	145	139.2 Å²	139.2	78%	0.775	82%	0.82	S	S	*	*			trans	51.8	115.2	148.8	-70.4	-19.3	0	0	0	121.3
647	T	33.7	Very low	30.7	Very low	139 Å²	139	140.1 Å²	140.1	85%	0.853	82%	0.818	S	S	*	*				-144.6	116.3	126.8	-45.6	0	0	0	0	111.8
648	T	28.6	Very low	30.8	Very low	113 Å²	113	137.3 Å²	137.3	69%	0.693	82%	0.822	S	S	*	*			trans	-41.4	138.7	161.5	52.4	0	0	0	0	115.9
649	R	30	Very low	31	Very low	223 Å²	223	134.2 Å²	134.2	84%	0.842	82%	0.817	S	S	*	*				158.8	116.7	118.3	-97.1	-178.2	176.6	161.2	0.9	110.8
650	S	35.6	Very low	31	Very low	128 Å²	128	136.6 Å²	136.6	90%	0.895	83%	0.827	S	S	*	*			trans	-156.6	83.8	145.7	-74.5	0	0	0	0	107.8
651	T	27.5	Very low	31.3	Very low	122 Å²	122	138.6 Å²	138.6	75%	0.748	83%	0.832	S	S	*	*			trans	-95.5	124.5	161.7	41.1	0	0	0	0	108.4
652	N	33.3	Very low	31.4	Very low	163 Å²	163	138.9 Å²	138.9	87%	0.872	83%	0.83	S	S	*	*			trans	173	141.9	145.3	-88.6	-9.8	0	0	0	106.5
653	A	29.1	Very low	31.7	Very low	80 Å²	80	141.2 Å²	141.2	66%	0.661	84%	0.836	S	S	*	*			cis	-171.9	166.1	-11.5	0	0	0	0	0	105.7
654	S	32.6	Very low	32.1	Very low	112 Å²	112	140.2 Å²	140.2	78%	0.783	84%	0.84	S	S	*	*			trans	86.8	87.4	153	-54.3	0	0	0	0	117.7
655	S	28.5	Very low	32	Very low	118 Å²	118	141.9 Å²	141.9	83%	0.825	84%	0.84	S	S	*	*			trans	-53.7	131.8	133.8	54.5	0	0	0	0	111.5
656	S	44.9	Very low	32	Very low	192 Å²	192	139.5 Å²	139.5	100%	1.343	85%	0.845	S	S	*	*			trans	-122	0	142.5	-49.7	0	0	0	0	106.3

Retrieved 656 of 656 residues in 2380.9 ms (Link to these results)

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