A0A096NUL1_PAPAN Loading...

Cyclic nucleotide-binding domain-containing protein 2

Essential for male fertility. Plays an important role in spermatogenesis and regulates sperm motility by controlling the development of the flagellar bending of sperm.

AlphaFold DB , UniProt , Accession A0A096NUL1, Species PAPAN (Papio anubis, Olive baboon), Gene CNBD2, Length 585 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	44.2	Very low	41.4	Very low	242 Å²	242	163 Å²	163	100%	1.192	73%	0.731	S	S	*	*				0	65.4	0	-63.4	-178.8	-160.9	0	0	112.6
2	R	34.2	Very low	41.7	Very low	232 Å²	232	158.3 Å²	158.3	88%	0.875	72%	0.717	S	S	*	*			trans	-140.4	17.3	169.6	-88.3	-172.6	179.1	175.7	-0.5	113.2
3	R	33.9	Very low	42	Very low	234 Å²	234	155.4 Å²	155.4	88%	0.883	71%	0.71	S	S	*	*	S	Bend	trans	-91.7	1.2	174	-86.1	-175.8	174.2	174.5	-1.7	114.1
4	Y	37.7	Very low	42.3	Very low	212 Å²	212	155.6 Å²	155.6	83%	0.831	71%	0.709	S	S	*	*	S	Bend	trans	-118.7	2.9	-175.8	-92.4	-88.5	0	0	0	115.3	T7	Y4-T7 PolarHBondContact O-OG1 3.49Å
5	M	37.6	Very low	42.6	Very low	159 Å²	159	156.9 Å²	156.9	78%	0.783	71%	0.712	S	S	*	*	S	Bend	trans	-116.6	-11.9	179.9	-67.9	-152.2	87.8	0	0	115.8
6	V	40	Very low	43	Very low	92 Å²	92	156.6 Å²	156.6	56%	0.558	71%	0.712	S	S	*	*	H	α-helix	trans	-83.3	-19.6	172.3	-174.3	0	0	0	0	111.3	Y8 A9 W10	V6-Y8 PolarHBondContact O-N 3.23Å; V6-A9 PolarHBondContact O-N 3.28Å; V6-W10 WeakPolarHBondContact O-CB 3.49Å; V6-W10 PolarHBondContact O-N 3.34Å
7	T	46	Very low	43.8	Very low	81 Å²	81	155.2 Å²	155.2	50%	0.497	71%	0.711	S	S	.	*	H	α-helix	trans	-62.5	-24.7	173.7	36.9	0	0	0	0	113.1	Y4 Q11	Y4-T7 PolarHBondContact O-OG1 3.49Å; T7-Q11 WeakPolarHBondContact O-CB 3.31Å; T7-Q11 WeakPolarHBondContact O-CG 3.32Å; T7-Q11 PolarHBondContact O-N 3.24Å; T7-Q11 PolarHBondContact O-OE1 3.07Å
8	Y	45.3	Very low	44.4	Very low	169 Å²	169	148.9 Å²	148.9	66%	0.663	70%	0.696	S	S	*	*	H	α-helix	trans	-84.6	-38.2	175.1	-151.2	-102.3	0	0	0	112.4	V6 Q11 L12	V6-Y8 PolarHBondContact O-N 3.23Å; Y8-Q11 PolarHBondContact O-N 3.33Å; Y8-L12 HydrophobicContact CD1-CD1 3.78Å; Y8-L12 HydrophobicContact CE1-CD1 3.88Å; Y8-L12 PolarHBondContact O-N 3.46Å; Y8-L12 VanDerWaalsContact O-N 3.08Å
9	A	45.1	Very low	45	Very low	53 Å²	53	148.1 Å²	148.1	44%	0.438	70%	0.696	S	S	.	*	H	α-helix	trans	-72.2	-34.9	178	0	0	0	0	0	113.2	V6 L12 L13	V6-A9 PolarHBondContact O-N 3.28Å; A9-L12 PolarHBondContact O-N 2.93Å; A9-L13 PolarHBondContact O-N 3.25Å
10	W	45.6	Very low	45.8	Very low	187 Å²	187	150.2 Å²	150.2	71%	0.708	70%	0.698	S	S	*	*	H	α-helix	trans	-77.4	-22.4	174.3	-113.8	64.7	0	0	0	113.4	V6 K14	V6-W10 WeakPolarHBondContact O-CB 3.49Å; V6-W10 PolarHBondContact O-N 3.34Å; W10-K14 PolarHBondContact O-N 3.43Å
11	Q	45.4	Very low	46.6	Very low	132 Å²	132	148.5 Å²	148.5	62%	0.617	69%	0.691	S	S	*	*	H	α-helix	trans	-77.7	-27.5	169	-81	177.5	-18.8	0	0	112.3	T7 Y8 K14	T7-Q11 WeakPolarHBondContact O-CB 3.31Å; T7-Q11 WeakPolarHBondContact O-CG 3.32Å; T7-Q11 PolarHBondContact O-N 3.24Å; T7-Q11 PolarHBondContact O-OE1 3.07Å; Y8-Q11 PolarHBondContact O-N 3.33Å; Q11-K14 PolarHBondContact O-N 2.95Å
12	L	45.1	Very low	47.6	Very low	107 Å²	107	143 Å²	143	56%	0.56	66%	0.66	S	S	*	*	H	α-helix	trans	-73.6	-34.9	173.1	-94.4	149	0	0	0	112.8	Y8 A9 K14 K15	Y8-L12 HydrophobicContact CD1-CD1 3.78Å; Y8-L12 HydrophobicContact CE1-CD1 3.88Å; Y8-L12 PolarHBondContact O-N 3.46Å; Y8-L12 VanDerWaalsContact O-N 3.08Å; A9-L12 PolarHBondContact O-N 2.93Å; L12-K14 VanDerWaalsContact C-N 3.29Å; L12-K14 PolarHBondContact O-N 3.46Å; L12-K15 PolarHBondContact O-N 3.21Å
13	L	46.5	Very low	49.3	Very low	120 Å²	120	134 Å²	134	63%	0.628	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-74.3	-15.4	172.6	-87.9	158.1	0	0	0	114.2	A9 K15	A9-L13 PolarHBondContact O-N 3.25Å; L13-K15 PolarHBondContact O-N 2.83Å
14	K	46.4	Very low	50.8	Low	159 Å²	159	125.3 Å²	125.3	69%	0.691	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-73.9	-8.2	170	-100.4	-178.4	174.8	-178.6	0	113.6	W10 Q11 L12	W10-K14 PolarHBondContact O-N 3.43Å; Q11-K14 PolarHBondContact O-N 2.95Å; L12-K14 VanDerWaalsContact C-N 3.29Å; L12-K14 PolarHBondContact O-N 3.46Å
15	K	46.5	Very low	52.3	Low	174 Å²	174	119.7 Å²	119.7	76%	0.757	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-99	-9.3	-179.9	-98.7	-177.9	174.1	-179.3	0	114.8	L12 L13 L17	L12-K15 PolarHBondContact O-N 3.21Å; L13-K15 PolarHBondContact O-N 2.83Å; K15-L17 PolarHBondContact O-N 3.16Å
16	E	48.7	Very low	53.9	Low	152 Å²	152	115.3 Å²	115.3	71%	0.71	57%	0.572	S	S	*	*			trans	-86	67.1	166.9	-69.3	-164.4	165.7	0	0	110.3	G18	E16-G18 VanDerWaalsContact C-N 3.32Å; E16-G18 PolarHBondContact O-N 2.86Å
17	L	56.2	Low	55.6	Low	133 Å²	133	115.5 Å²	115.5	70%	0.696	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	74.1	-177.9	-91.1	142	0	0	0	112.4	K15	K15-L17 PolarHBondContact O-N 3.16Å
18	G	54.4	Low	56.9	Low	42 Å²	42	115.7 Å²	115.7	43%	0.433	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-149.1	-45.8	164.5	0	0	0	0	0	112.5	E16 F22	E16-G18 VanDerWaalsContact C-N 3.32Å; E16-G18 PolarHBondContact O-N 2.86Å; G18-F22 VanDerWaalsContact O-CB 3.25Å; G18-F22 WeakPolarHBondContact O-CB 3.41Å; G18-F22 PolarHBondContact O-N 2.79Å
19	L	56.9	Low	58.1	Low	134 Å²	134	113.5 Å²	113.5	70%	0.702	57%	0.567	S	S	*	*	H	α-helix	trans	-74.8	-35.1	-173.9	-76.1	165.5	0	0	0	113.6	A23	L19-A23 WeakPolarHBondContact O-CB 3.35Å; L19-A23 PolarHBondContact O-N 2.79Å
20	Y	60.8	Low	59.4	Low	189 Å²	189	115.4 Å²	115.4	74%	0.741	57%	0.569	S	S	*	*	H	α-helix	trans	-66.7	-42.2	177.6	-170.5	-95.3	0	0	0	111.4	A23 T24	Y20-A23 PolarHBondContact O-N 2.81Å; Y20-T24 HydrophobicContact CD1-CG2 4.35Å; Y20-T24 HydrophobicContact CE1-CG2 4Å; Y20-T24 PolarHBondContact O-N 3.33Å; Y20-T24 PolarHBondContact O-OG1 2.89Å
21	Q	62.7	Low	60.3	Low	115 Å²	115	115.1 Å²	115.1	54%	0.537	57%	0.568	S	S	.	*	H	α-helix	trans	-69.3	-42.2	179.7	-149.4	159.5	4.7	0	0	111	T24 D25	Q21-T24 VanDerWaalsContact C-OG1 3.32Å; Q21-T24 VanDerWaalsContact CA-OG1 3.24Å; Q21-T24 WeakPolarHBondContact CA-OG1 3.19Å; Q21-T24 PolarHBondContact O-N 3.27Å; Q21-T24 PolarHBondContact O-OG1 3.4Å; Q21-D25 WeakPolarHBondContact O-CB 3.19Å; Q21-D25 PolarHBondContact O-N 3.36Å
22	F	65.8	Low	61.5	Low	126 Å²	126	112.9 Å²	112.9	55%	0.553	56%	0.563	S	S	*	*	H	α-helix	trans	-62.8	-41.4	172.9	-174.8	-110.7	0	0	0	112.8	G18 D25 I26	G18-F22 VanDerWaalsContact O-CB 3.25Å; G18-F22 WeakPolarHBondContact O-CB 3.41Å; G18-F22 PolarHBondContact O-N 2.79Å; F22-D25 PolarHBondContact O-N 3.4Å; F22-I26 HydrophobicContact CD1-CD1 3.68Å; F22-I26 HydrophobicContact CE1-CD1 3.26Å; F22-I26 HydrophobicContact CE1-CG1 4.33Å; F22-I26 HydrophobicContact CE2-CD1 4.24Å; F22-I26 HydrophobicContact CG-CD1 4.34Å; F22-I26 HydrophobicContact CZ-CD1 3.59Å; F22-I26 HydrophobicContact CZ-CG1 4.34Å; F22-I26 WeakPolarHBondContact O-CG1 3.24Å; F22-I26 PolarHBondContact O-N 2.86Å
23	A	68.2	Low	62.4	Low	45 Å²	45	110.8 Å²	110.8	37%	0.372	56%	0.557	S	S	.	*	H	α-helix	trans	-65.3	-40.8	175.2	0	0	0	0	0	111.5	L19 Y20 I26 I27	L19-A23 WeakPolarHBondContact O-CB 3.35Å; L19-A23 PolarHBondContact O-N 2.79Å; Y20-A23 PolarHBondContact O-N 2.81Å; A23-I26 PolarHBondContact O-N 2.93Å; A23-I27 WeakPolarHBondContact O-CB 3.42Å; A23-I27 WeakPolarHBondContact O-CD1 3.35Å; A23-I27 WeakPolarHBondContact O-CG1 3.44Å; A23-I27 PolarHBondContact O-N 3.04Å
24	T	66.1	Low	63.2	Low	50 Å²	50	111.6 Å²	111.6	31%	0.307	56%	0.555	S	S	.	*	H	α-helix	trans	-64.5	-39.4	173.3	44.1	0	0	0	0	112.2	Y20 Q21 I27 V28	Y20-T24 HydrophobicContact CD1-CG2 4.35Å; Y20-T24 HydrophobicContact CE1-CG2 4Å; Y20-T24 PolarHBondContact O-N 3.33Å; Y20-T24 PolarHBondContact O-OG1 2.89Å; Q21-T24 VanDerWaalsContact C-OG1 3.32Å; Q21-T24 VanDerWaalsContact CA-OG1 3.24Å; Q21-T24 WeakPolarHBondContact CA-OG1 3.19Å; Q21-T24 PolarHBondContact O-N 3.27Å; Q21-T24 PolarHBondContact O-OG1 3.4Å; T24-I27 PolarHBondContact O-N 2.9Å; T24-V28 WeakPolarHBondContact O-CB 3.45Å; T24-V28 VanDerWaalsContact O-CG2 3.25Å; T24-V28 WeakPolarHBondContact O-CG2 3.41Å; T24-V28 PolarHBondContact O-N 2.72Å
25	D	68.5	Low	64.1	Low	95 Å²	95	110.5 Å²	110.5	51%	0.508	55%	0.554	S	S	.	*	H	α-helix	trans	-67.1	-39.6	178	-69.7	-18.4	0	0	0	111.6	Q21 F22 V28 M29	Q21-D25 WeakPolarHBondContact O-CB 3.19Å; Q21-D25 PolarHBondContact O-N 3.36Å; F22-D25 PolarHBondContact O-N 3.4Å; D25-V28 PolarHBondContact O-N 3.06Å; D25-M29 VanDerWaalsContact O-CB 3.25Å; D25-M29 WeakPolarHBondContact O-CB 3.47Å; D25-M29 PolarHBondContact O-N 3.19Å
26	I	72.3	Confident	64.8	Low	67 Å²	67	109.1 Å²	109.1	34%	0.344	55%	0.549	S	S	.	.	H	α-helix	trans	-63.3	-43.6	172.8	-72.2	172.6	0	0	0	110.7	F22 A23 M29 I30	F22-I26 HydrophobicContact CD1-CD1 3.68Å; F22-I26 HydrophobicContact CE1-CD1 3.26Å; F22-I26 HydrophobicContact CE1-CG1 4.33Å; F22-I26 HydrophobicContact CE2-CD1 4.24Å; F22-I26 HydrophobicContact CG-CD1 4.34Å; F22-I26 HydrophobicContact CZ-CD1 3.59Å; F22-I26 HydrophobicContact CZ-CG1 4.34Å; F22-I26 WeakPolarHBondContact O-CG1 3.24Å; F22-I26 PolarHBondContact O-N 2.86Å; A23-I26 PolarHBondContact O-N 2.93Å; I26-M29 PolarHBondContact O-N 2.78Å; I26-I30 HydrophobicContact CG2-CD1 3.65Å; I26-I30 HydrophobicContact CG2-CG1 4.3Å; I26-I30 WeakPolarHBondContact O-CB 3.27Å; I26-I30 VanDerWaalsContact O-CG1 3.24Å; I26-I30 WeakPolarHBondContact O-CG1 3.31Å; I26-I30 PolarHBondContact O-N 2.76Å
27	I	75.3	Confident	65.3	Low	95 Å²	95	111 Å²	111	49%	0.487	55%	0.549	S	S	.	.	H	α-helix	trans	-65.2	-41	179	-69.9	165	0	0	0	110.9	A23 T24 I30 R31	A23-I27 WeakPolarHBondContact O-CB 3.42Å; A23-I27 WeakPolarHBondContact O-CD1 3.35Å; A23-I27 WeakPolarHBondContact O-CG1 3.44Å; A23-I27 PolarHBondContact O-N 3.04Å; T24-I27 PolarHBondContact O-N 2.9Å; I27-I30 PolarHBondContact O-N 2.93Å; I27-R31 WeakPolarHBondContact O-CB 3.47Å; I27-R31 PolarHBondContact O-N 3.11Å
28	V	74	Confident	65.6	Low	85 Å²	85	110.7 Å²	110.7	52%	0.515	54%	0.544	S	S	.	.	H	α-helix	trans	-64.6	-44.9	174.8	171.1	0	0	0	0	110.2	T24 D25 I30 R31 V32	T24-V28 WeakPolarHBondContact O-CB 3.45Å; T24-V28 VanDerWaalsContact O-CG2 3.25Å; T24-V28 WeakPolarHBondContact O-CG2 3.41Å; T24-V28 PolarHBondContact O-N 2.72Å; D25-V28 PolarHBondContact O-N 3.06Å; V28-I30 PolarHBondContact O-N 2.68Å; V28-R31 PolarHBondContact O-N 3.03Å; V28-R31 VanDerWaalsContact O-N 3.16Å; V28-V32 HydrophobicContact CG1-CG2 4.29Å; V28-V32 VanDerWaalsContact O-CG2 3.31Å; V28-V32 WeakPolarHBondContact O-CG2 3.25Å; V28-V32 PolarHBondContact O-N 3.18Å
29	M	70.3	Confident	65.5	Low	123 Å²	123	111.6 Å²	111.6	61%	0.606	55%	0.554	S	S	*	*	H	α-helix	trans	-62.1	-42.4	176.8	-171.7	126.3	64.4	0	0	111.7	D25 I26 R31 V32 C33	D25-M29 VanDerWaalsContact O-CB 3.25Å; D25-M29 WeakPolarHBondContact O-CB 3.47Å; D25-M29 PolarHBondContact O-N 3.19Å; I26-M29 PolarHBondContact O-N 2.78Å; M29-R31 VanDerWaalsContact C-N 3.34Å; M29-R31 PolarHBondContact O-N 3.31Å; M29-V32 PolarHBondContact O-N 3.08Å; M29-C33 VanDerWaalsContact O-CB 3.31Å; M29-C33 WeakPolarHBondContact O-CB 3.28Å; M29-C33 PolarHBondContact O-N 3.27Å; M29-C33 PolarHBondContact O-SG 2.96Å
30	I	71.1	Confident	65.4	Low	94 Å²	94	108.9 Å²	108.9	48%	0.482	54%	0.539	S	S	.	.	H	α-helix	trans	-64.3	-38.7	175.1	-69.6	168.9	0	0	0	111	I26 I27 V28 K34	I26-I30 HydrophobicContact CG2-CD1 3.65Å; I26-I30 HydrophobicContact CG2-CG1 4.3Å; I26-I30 WeakPolarHBondContact O-CB 3.27Å; I26-I30 VanDerWaalsContact O-CG1 3.24Å; I26-I30 WeakPolarHBondContact O-CG1 3.31Å; I26-I30 PolarHBondContact O-N 2.76Å; I27-I30 PolarHBondContact O-N 2.93Å; V28-I30 PolarHBondContact O-N 2.68Å; I30-K34 WeakPolarHBondContact O-CB 3.19Å; I30-K34 PolarHBondContact O-N 3.47Å
31	R	65.1	Low	64.6	Low	180 Å²	180	110.1 Å²	110.1	68%	0.679	54%	0.543	S	S	*	.	H	α-helix	trans	-66.4	-45.1	174.7	-86	-176.7	177.7	174.7	0.1	112.1	I27 V28 M29 K34 M35	I27-R31 WeakPolarHBondContact O-CB 3.47Å; I27-R31 PolarHBondContact O-N 3.11Å; V28-R31 PolarHBondContact O-N 3.03Å; V28-R31 VanDerWaalsContact O-N 3.16Å; M29-R31 VanDerWaalsContact C-N 3.34Å; M29-R31 PolarHBondContact O-N 3.31Å; R31-K34 PolarHBondContact O-N 3.31Å; R31-M35 WeakPolarHBondContact O-CG 3.14Å; R31-M35 PolarHBondContact O-N 2.78Å
32	V	71.4	Confident	63.8	Low	86 Å²	86	107.1 Å²	107.1	52%	0.521	54%	0.542	S	S	.	.	H	α-helix	trans	-62	-45.7	175.7	172.1	0	0	0	0	110.1	V28 M29 K34 M35 F36	V28-V32 HydrophobicContact CG1-CG2 4.29Å; V28-V32 VanDerWaalsContact O-CG2 3.31Å; V28-V32 WeakPolarHBondContact O-CG2 3.25Å; V28-V32 PolarHBondContact O-N 3.18Å; M29-V32 PolarHBondContact O-N 3.08Å; V32-K34 VanDerWaalsContact C-N 3.32Å; V32-K34 PolarHBondContact O-N 3.46Å; V32-M35 PolarHBondContact O-N 3.08Å; V32-F36 VanDerWaalsContact O-CB 3.29Å; V32-F36 WeakPolarHBondContact O-CB 3.21Å; V32-F36 PolarHBondContact O-N 3.49Å
33	C	62.8	Low	62.8	Low	63 Å²	63	107.9 Å²	107.9	43%	0.426	55%	0.546	S	S	.	.	H	α-helix	trans	-64.5	-33.9	175.5	-69.3	0	0	0	0	112.7	M29 R37	M29-C33 VanDerWaalsContact O-CB 3.31Å; M29-C33 WeakPolarHBondContact O-CB 3.28Å; M29-C33 PolarHBondContact O-N 3.27Å; M29-C33 PolarHBondContact O-SG 2.96Å; C33-R37 VanDerWaalsContact O-CB 3.27Å; C33-R37 WeakPolarHBondContact O-CB 3.44Å; C33-R37 VanDerWaalsContact O-CG 3.28Å; C33-R37 WeakPolarHBondContact O-CG 3.44Å; C33-R37 PolarHBondContact O-N 3.35Å
34	K	64.9	Low	61.7	Low	136 Å²	136	116.4 Å²	116.4	59%	0.591	57%	0.569	S	S	*	*	H	α-helix	trans	-69	-43.2	172.8	-91.1	-175.1	173	-179.5	0	111.9	I30 R31 V32 R37 Q38	I30-K34 WeakPolarHBondContact O-CB 3.19Å; I30-K34 PolarHBondContact O-N 3.47Å; R31-K34 PolarHBondContact O-N 3.31Å; V32-K34 VanDerWaalsContact C-N 3.32Å; V32-K34 PolarHBondContact O-N 3.46Å; K34-R37 PolarHBondContact O-N 3.07Å; K34-Q38 VanDerWaalsContact O-CB 3.32Å; K34-Q38 WeakPolarHBondContact O-CB 3.34Å; K34-Q38 VanDerWaalsContact O-CG 3.31Å; K34-Q38 WeakPolarHBondContact O-CG 3.25Å; K34-Q38 PolarHBondContact O-N 3.41Å
35	M	64.7	Low	60.3	Low	137 Å²	137	122.9 Å²	122.9	68%	0.675	60%	0.595	S	S	*	*	H	α-helix	trans	-64.2	-40.8	174.6	-74.4	-173.2	66.6	0	0	111.5	R31 V32 Q38 G39	R31-M35 WeakPolarHBondContact O-CG 3.14Å; R31-M35 PolarHBondContact O-N 2.78Å; V32-M35 PolarHBondContact O-N 3.08Å; M35-Q38 PolarHBondContact O-N 3.18Å; M35-G39 PolarHBondContact O-N 3.44Å
36	F	61.4	Low	58.8	Low	145 Å²	145	127.8 Å²	127.8	64%	0.636	61%	0.608	S	S	*	*	H	α-helix	trans	-66.2	-42.2	175.6	-152	-99.9	0	0	0	111.1	V32 G39 L40	V32-F36 VanDerWaalsContact O-CB 3.29Å; V32-F36 WeakPolarHBondContact O-CB 3.21Å; V32-F36 PolarHBondContact O-N 3.49Å; F36-G39 PolarHBondContact O-N 2.84Å; F36-L40 HydrophobicContact CD1-CD1 3.48Å; F36-L40 VanDerWaalsContact CD1-CD1 3.48Å; F36-L40 HydrophobicContact CD1-CG 4.22Å; F36-L40 HydrophobicContact CE1-CD1 3.58Å; F36-L40 HydrophobicContact CE1-CG 4.3Å; F36-L40 VanDerWaalsContact O-CB 3.31Å; F36-L40 WeakPolarHBondContact O-CB 3.19Å; F36-L40 WeakPolarHBondContact O-CG 3.24Å; F36-L40 PolarHBondContact O-N 3.4Å
37	R	57.8	Low	56.9	Low	191 Å²	191	133 Å²	133	72%	0.721	63%	0.631	S	S	*	*	H	α-helix	trans	-67.7	-32.8	173.7	-78.3	-179.3	-177.1	173.3	2.7	113.2	C33 K34 R41	C33-R37 VanDerWaalsContact O-CB 3.27Å; C33-R37 WeakPolarHBondContact O-CB 3.44Å; C33-R37 VanDerWaalsContact O-CG 3.28Å; C33-R37 WeakPolarHBondContact O-CG 3.44Å; C33-R37 PolarHBondContact O-N 3.35Å; K34-R37 PolarHBondContact O-N 3.07Å; R37-R41 WeakPolarHBondContact O-CG 3.45Å; R37-R41 PolarHBondContact O-N 3.47Å
38	Q	62.2	Low	54.9	Low	127 Å²	127	134.1 Å²	134.1	59%	0.593	64%	0.637	S	S	*	*	H	α-helix	trans	-72.3	-38.6	173.9	-78.9	175.9	-26.2	0	0	111.5	K34 M35 L40 R41	K34-Q38 VanDerWaalsContact O-CB 3.32Å; K34-Q38 WeakPolarHBondContact O-CB 3.34Å; K34-Q38 VanDerWaalsContact O-CG 3.31Å; K34-Q38 WeakPolarHBondContact O-CG 3.25Å; K34-Q38 PolarHBondContact O-N 3.41Å; M35-Q38 PolarHBondContact O-N 3.18Å; Q38-L40 VanDerWaalsContact C-N 3.3Å; Q38-L40 PolarHBondContact O-N 3.44Å; Q38-R41 WeakPolarHBondContact O-CB 3.25Å; Q38-R41 PolarHBondContact O-N 3.4Å
39	G	54.1	Low	53.1	Low	61 Å²	61	137.1 Å²	137.1	63%	0.629	65%	0.648	S	S	*	*	H	α-helix	trans	-66.9	-30	171.4	0	0	0	0	0	113.2	M35 F36	M35-G39 PolarHBondContact O-N 3.44Å; F36-G39 PolarHBondContact O-N 2.84Å
40	L	53	Low	51.2	Low	77 Å²	77	139 Å²	139	40%	0.403	66%	0.655	S	S	.	*	G	3₁₀ helix	trans	-86	2.6	174	-68.7	173.1	0	0	0	114.1	F36 Q38 G42 F43	F36-L40 HydrophobicContact CD1-CD1 3.48Å; F36-L40 VanDerWaalsContact CD1-CD1 3.48Å; F36-L40 HydrophobicContact CD1-CG 4.22Å; F36-L40 HydrophobicContact CE1-CD1 3.58Å; F36-L40 HydrophobicContact CE1-CG 4.3Å; F36-L40 VanDerWaalsContact O-CB 3.31Å; F36-L40 WeakPolarHBondContact O-CB 3.19Å; F36-L40 WeakPolarHBondContact O-CG 3.24Å; F36-L40 PolarHBondContact O-N 3.4Å; Q38-L40 VanDerWaalsContact C-N 3.3Å; Q38-L40 PolarHBondContact O-N 3.44Å; L40-G42 PolarHBondContact O-N 2.99Å; L40-F43 HydrophobicContact CD2-CB 4.34Å; L40-F43 HydrophobicContact CD2-CD2 4.11Å; L40-F43 HydrophobicContact CD2-CG 4.47Å; L40-F43 PolarHBondContact O-N 2.74Å
41	R	45.3	Very low	49.5	Very low	214 Å²	214	138.9 Å²	138.9	81%	0.808	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-66.2	-2.6	174.5	-87.4	-175.3	176.5	-166.7	-3.7	113.9	R37 Q38	R37-R41 WeakPolarHBondContact O-CG 3.45Å; R37-R41 PolarHBondContact O-N 3.47Å; Q38-R41 WeakPolarHBondContact O-CB 3.25Å; Q38-R41 PolarHBondContact O-N 3.4Å
42	G	45.4	Very low	48.1	Very low	52 Å²	52	132.8 Å²	132.8	54%	0.536	65%	0.651	S	S	.	*	G	3₁₀ helix	trans	-94.5	-4.2	165.7	0	0	0	0	0	115.5	L40	L40-G42 PolarHBondContact O-N 2.99Å
43	F	45.8	Very low	46.5	Very low	143 Å²	143	137.1 Å²	137.1	63%	0.627	67%	0.666	S	S	*	*	S	Bend	trans	-113.7	30.4	-170.5	-80.5	-80.8	0	0	0	114.5	L40 I48	L40-F43 HydrophobicContact CD2-CB 4.34Å; L40-F43 HydrophobicContact CD2-CD2 4.11Å; L40-F43 HydrophobicContact CD2-CG 4.47Å; L40-F43 PolarHBondContact O-N 2.74Å; F43-I48 HydrophobicContact CE1-CD1 3.96Å
44	R	43.7	Very low	45.5	Very low	224 Å²	224	141.6 Å²	141.6	85%	0.845	67%	0.674	S	S	*	*	S	Bend	trans	-129.9	114.9	163.5	-72.9	-173.5	173	-171.3	-5.4	107.6
45	E	38.1	Very low	44.5	Very low	186 Å²	186	144.2 Å²	144.2	87%	0.869	69%	0.685	S	S	*	*	S	Bend	trans	86	36.8	171.9	-55.9	174.5	-175.4	0	0	118.3
46	Y	36.1	Very low	43.5	Very low	198 Å²	198	144.3 Å²	144.3	78%	0.776	68%	0.683	S	S	*	*			trans	-125.9	120.7	153.4	-70.3	-84.4	0	0	0	109.4	I48	Y46-I48 PolarHBondContact O-N 2.91Å; Y46-I48 VanDerWaalsContact O-N 3.11Å
47	Q	32.4	Very low	43.1	Very low	177 Å²	177	140 Å²	140	83%	0.827	67%	0.67	S	S	*	*			trans	-50.3	116.9	145.4	-89.1	175.2	-27.3	0	0	104.9	I49	Q47-I49 PolarHBondContact O-N 3.28Å
48	I	32.7	Very low	42.6	Very low	118 Å²	118	135.4 Å²	135.4	61%	0.605	66%	0.659	S	S	*	*			trans	-68.7	81.6	173.4	-57.4	169.7	0	0	0	106.1	F43 Y46 E50	F43-I48 HydrophobicContact CE1-CD1 3.96Å; Y46-I48 PolarHBondContact O-N 2.91Å; Y46-I48 VanDerWaalsContact O-N 3.11Å; I48-E50 HydrophobicContact CG2-CB 3.92Å; I48-E50 HydrophobicContact CG2-CG 4.18Å
49	I	36.1	Very low	42.3	Very low	147 Å²	147	136 Å²	136	75%	0.754	66%	0.66	S	S	*	*			trans	-97.2	65.9	142.1	-51.3	171.8	0	0	0	103.1	Q47 S51	Q47-I49 PolarHBondContact O-N 3.28Å; I49-S51 VanDerWaalsContact C-N 3.33Å; I49-S51 PolarHBondContact O-N 3.31Å
50	E	31.5	Very low	42.3	Very low	162 Å²	162	135.1 Å²	135.1	76%	0.757	64%	0.644	S	S	*	*			trans	-65.3	107.3	158.7	-93.9	-175.5	153.9	0	0	105	I48 A52	I48-E50 HydrophobicContact CG2-CB 3.92Å; I48-E50 HydrophobicContact CG2-CG 4.18Å; E50-A52 PolarHBondContact O-N 2.9Å
51	S	35.7	Very low	42.7	Very low	92 Å²	92	136.6 Å²	136.6	64%	0.643	65%	0.647	S	S	*	*			trans	-58.6	90.2	153	52.7	0	0	0	0	105.9	I49 H53	I49-S51 VanDerWaalsContact C-N 3.33Å; I49-S51 PolarHBondContact O-N 3.31Å; S51-H53 PolarHBondContact O-N 3.42Å; S51-H53 PolarHBondContact O-ND1 3.27Å
52	A	34.4	Very low	43	Very low	53 Å²	53	133.8 Å²	133.8	44%	0.438	64%	0.637	S	S	.	*			trans	-47.3	121.6	176.3	0	0	0	0	0	106.7	E50 W54	E50-A52 PolarHBondContact O-N 2.9Å; A52-W54 HydrophobicContact CB-CD2 4.39Å; A52-W54 HydrophobicContact CB-CG 4.13Å; A52-W54 PolarHBondContact O-N 2.97Å
53	H	38.9	Very low	44	Very low	177 Å²	177	133.6 Å²	133.6	82%	0.819	62%	0.624	S	S	*	*			trans	-73.3	87.8	162.3	-73.9	56.7	0	0	0	104.4	S51 K55	S51-H53 PolarHBondContact O-N 3.42Å; S51-H53 PolarHBondContact O-ND1 3.27Å; H53-K55 PolarHBondContact O-N 2.86Å
54	W	40.6	Very low	44.8	Very low	156 Å²	156	135.9 Å²	135.9	59%	0.591	63%	0.633	S	S	*	*			trans	-64.4	98	-174.6	-66	78.7	0	0	0	108.9	A52 H56 M75 I78	A52-W54 HydrophobicContact CB-CD2 4.39Å; A52-W54 HydrophobicContact CB-CG 4.13Å; A52-W54 PolarHBondContact O-N 2.97Å; W54-H56 PolarHBondContact O-N 3.46Å; W54-M75 HydrophobicContact CB-CE 3.65Å; W54-M75 HydrophobicContact CD2-CE 3.73Å; W54-M75 HydrophobicContact CE3-CE 3.22Å; W54-M75 HydrophobicContact CG-CE 3.96Å; W54-M75 HydrophobicContact CZ3-CE 4.01Å; W54-I78 HydrophobicContact CE3-CD1 4Å; W54-I78 HydrophobicContact CH2-CD1 3.84Å; W54-I78 HydrophobicContact CH2-CG1 4.45Å; W54-I78 HydrophobicContact CZ3-CD1 3.28Å; W54-I78 HydrophobicContact CZ3-CG1 4.31Å
55	K	43.9	Very low	45.7	Very low	191 Å²	191	134.6 Å²	134.6	83%	0.83	63%	0.634	S	S	*	*			trans	-67	119.4	159.7	-68.8	-178.1	177.6	180	0	106.4	H53 P57	H53-K55 PolarHBondContact O-N 2.86Å; K55-P57 WeakPolarHBondContact O-CD 3.31Å; K55-P57 WeakPolarHBondContact O-CG 3.31Å
56	H	44.3	Very low	46.4	Very low	139 Å²	139	132.3 Å²	132.3	64%	0.644	63%	0.625	S	S	*	*			trans	-37.6	103.6	177.6	-67.9	-80	0	0	0	112.4	W54 I58	W54-H56 PolarHBondContact O-N 3.46Å; H56-I58 VanDerWaalsContact C-N 3.28Å; H56-I58 HydrophobicContact CB-CG1 4.4Å; H56-I58 PolarHBondContact O-N 3.32Å
57	P	53.3	Low	47.7	Very low	54 Å²	54	130.5 Å²	130.5	35%	0.351	62%	0.624	S	S	.	*			trans	-81.7	81.3	179.3	-1.1	19.2	0	0	0	108.2	K55 F59 T74	K55-P57 WeakPolarHBondContact O-CD 3.31Å; K55-P57 WeakPolarHBondContact O-CG 3.31Å; P57-F59 PolarHBondContact O-N 2.8Å; P57-T74 HydrophobicContact CB-CG2 4.19Å; P57-T74 VanDerWaalsContact CB-OG1 3.28Å; P57-T74 WeakPolarHBondContact CB-OG1 3.29Å; P57-T74 WeakPolarHBondContact CD-OG1 3.42Å; P57-T74 WeakPolarHBondContact CG-OG1 3.07Å; P57-T74 PolarHBondContact O-N 2.82Å; P57-T74 PolarHBondContact O-OG1 3.45Å; P57-T74 VanDerWaalsContact O-OG1 3.12Å
58	I	47.9	Very low	48.5	Very low	96 Å²	96	124.8 Å²	124.8	49%	0.492	60%	0.603	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87	102.8	169.7	-57.3	173.2	0	0	0	107.1	H56 S60 T71 D73	H56-I58 VanDerWaalsContact C-N 3.28Å; H56-I58 HydrophobicContact CB-CG1 4.4Å; H56-I58 PolarHBondContact O-N 3.32Å; I58-S60 PolarHBondContact O-N 3.36Å; I58-T71 HydrophobicContact CG2-CG2 4.38Å; I58-D73 HydrophobicContact CG1-CB 4.42Å
59	F	54.8	Low	49.5	Very low	138 Å²	138	126.9 Å²	126.9	61%	0.605	60%	0.603	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86	107.1	172.5	-171.6	-91.1	0	0	0	108.5	P57 F61 F72	P57-F59 PolarHBondContact O-N 2.8Å; F59-F61 HydrophobicContact CD1-CD1 4.48Å; F59-F61 HydrophobicContact CE1-CD1 4.12Å; F59-F72 HydrophobicContact CB-CB 4.24Å; F59-F72 PolarHBondContact N-O 2.79Å; F59-F72 PolarHBondContact O-N 2.97Å
60	S	54.8	Low	50.5	Low	43 Å²	43	122.5 Å²	122.5	30%	0.301	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.8	128.6	178.7	74.6	0	0	0	0	111.2	I58 R69 V70	I58-S60 PolarHBondContact O-N 3.36Å; S60-R69 PolarHBondContact OG-NE 2.77Å; S60-R69 PolarHBondContact OG-NH2 3.18Å; S60-R69 VanDerWaalsContact OG-NH2 3.17Å; S60-V70 CarbonylContact C-O 3.52Å; S60-V70 VanDerWaalsContact CA-O 3.25Å; S60-V70 WeakPolarHBondContact CA-O 3.43Å
61	F	60.3	Low	51.7	Low	108 Å²	108	119.2 Å²	119.2	47%	0.474	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.8	154.6	170.5	81.2	-90.7	0	0	0	110.4	F59 D63 V70	F59-F61 HydrophobicContact CD1-CD1 4.48Å; F59-F61 HydrophobicContact CE1-CD1 4.12Å; F61-D63 HydrophobicContact CE2-CB 4.08Å; F61-V70 HydrophobicContact CD1-CB 4.35Å; F61-V70 HydrophobicContact CE1-CB 4.01Å; F61-V70 HydrophobicContact CE1-CG1 3.98Å; F61-V70 HydrophobicContact CZ-CB 4.17Å; F61-V70 HydrophobicContact CZ-CG1 4.36Å; F61-V70 HydrophobicContact CZ-CG2 4.37Å; F61-V70 PolarHBondContact N-O 2.81Å; F61-V70 PolarHBondContact O-N 2.81Å
62	W	52.8	Low	52.6	Low	156 Å²	156	119.6 Å²	119.6	59%	0.591	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.2	117.2	-177.1	-132.2	100.2	0	0	0	109.4	Q67	W62-Q67 HydrophobicContact CH2-CB 4.22Å; W62-Q67 WeakPolarHBondContact CH2-O 3.42Å; W62-Q67 HydrophobicContact CZ3-CB 4.42Å
63	D	65.4	Low	53.9	Low	48 Å²	48	118.7 Å²	118.7	26%	0.257	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.1	114.1	175.8	-173	-5.7	0	0	0	109.8	F61 K65 M66 Q67 S68 V70	F61-D63 HydrophobicContact CE2-CB 4.08Å; D63-K65 PolarHBondContact O-N 3.34Å; D63-K65 WeakPolarHBondContact OD1-CB 3.35Å; D63-K65 PolarHBondContact OD1-N 3.48Å; D63-M66 HydrophobicContact CB-CB 4.28Å; D63-M66 PolarHBondContact O-N 3.29Å; D63-Q67 PolarHBondContact O-N 3.04Å; D63-Q67 VanDerWaalsContact O-N 3.1Å; D63-S68 PolarHBondContact N-O 3.22Å; D63-S68 VanDerWaalsContact N-O 3.11Å; D63-V70 HydrophobicContact CB-CG2 3.83Å
64	K	63.4	Low	55	Low	190 Å²	190	112.1 Å²	112.1	83%	0.826	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.4	179.3	-69.1	-175.9	178.9	-179.4	0	112.7
65	K	61.7	Low	55.7	Low	197 Å²	197	107.5 Å²	107.5	86%	0.857	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-37.5	-176.9	-149.5	179.9	-175.5	-174.1	0	112	D63	D63-K65 PolarHBondContact O-N 3.34Å; D63-K65 WeakPolarHBondContact OD1-CB 3.35Å; D63-K65 PolarHBondContact OD1-N 3.48Å
66	M	53.7	Low	56.3	Low	138 Å²	138	100.7 Å²	100.7	68%	0.68	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-6.1	179.5	-69.1	-71.1	-173.6	0	0	113.6	D63 S68	D63-M66 HydrophobicContact CB-CB 4.28Å; D63-M66 PolarHBondContact O-N 3.29Å; M66-S68 WeakPolarHBondContact CB-OG 3.45Å; M66-S68 PolarHBondContact O-N 3.32Å
67	Q	62.8	Low	56.8	Low	161 Å²	161	100.2 Å²	100.2	75%	0.752	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	29.7	-171.9	-67.9	-171.7	-6.1	0	0	113.9	W62 D63	W62-Q67 HydrophobicContact CH2-CB 4.22Å; W62-Q67 WeakPolarHBondContact CH2-O 3.42Å; W62-Q67 HydrophobicContact CZ3-CB 4.42Å; D63-Q67 PolarHBondContact O-N 3.04Å; D63-Q67 VanDerWaalsContact O-N 3.1Å
68	S	50.3	Low	56.6	Low	56 Å²	56	100.7 Å²	100.7	39%	0.392	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	156.5	-174.4	70.4	0	0	0	0	111	D63 M66 V70	D63-S68 PolarHBondContact N-O 3.22Å; D63-S68 VanDerWaalsContact N-O 3.11Å; M66-S68 WeakPolarHBondContact CB-OG 3.45Å; M66-S68 PolarHBondContact O-N 3.32Å; S68-V70 PolarHBondContact O-N 3.44Å
69	R	52.6	Low	56.9	Low	162 Å²	162	97.7 Å²	97.7	61%	0.611	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	101.8	178.4	-164.7	174.2	-177.5	170.9	0.3	107.9	S60 T71	S60-R69 PolarHBondContact OG-NE 2.77Å; S60-R69 PolarHBondContact OG-NH2 3.18Å; S60-R69 VanDerWaalsContact OG-NH2 3.17Å; R69-T71 PolarHBondContact O-N 3Å
70	V	58.2	Low	57.2	Low	55 Å²	55	98.1 Å²	98.1	33%	0.333	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	116.4	175.4	-178.1	0	0	0	0	107.3	S60 F61 D63 S68	S60-V70 CarbonylContact C-O 3.52Å; S60-V70 VanDerWaalsContact CA-O 3.25Å; S60-V70 WeakPolarHBondContact CA-O 3.43Å; F61-V70 HydrophobicContact CD1-CB 4.35Å; F61-V70 HydrophobicContact CE1-CB 4.01Å; F61-V70 HydrophobicContact CE1-CG1 3.98Å; F61-V70 HydrophobicContact CZ-CB 4.17Å; F61-V70 HydrophobicContact CZ-CG1 4.36Å; F61-V70 HydrophobicContact CZ-CG2 4.37Å; F61-V70 PolarHBondContact N-O 2.81Å; F61-V70 PolarHBondContact O-N 2.81Å; D63-V70 HydrophobicContact CB-CG2 3.83Å; S68-V70 PolarHBondContact O-N 3.44Å
71	T	56.1	Low	57.7	Low	93 Å²	93	105.3 Å²	105.3	57%	0.571	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.7	177.5	51.3	0	0	0	0	108.2	I58 R69	I58-T71 HydrophobicContact CG2-CG2 4.38Å; R69-T71 PolarHBondContact O-N 3Å
72	F	54.2	Low	58.3	Low	101 Å²	101	101.8 Å²	101.8	44%	0.443	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	96.2	176.1	-175.8	-95.2	0	0	0	107	F59 T74 F77	F59-F72 HydrophobicContact CB-CB 4.24Å; F59-F72 PolarHBondContact N-O 2.79Å; F59-F72 PolarHBondContact O-N 2.97Å; F72-T74 HydrophobicContact CD1-CG2 4.19Å; F72-T74 HydrophobicContact CE1-CG2 3.9Å; F72-F77 HydrophobicContact CD2-CE2 4.16Å; F72-F77 HydrophobicContact CE2-CD2 4.04Å; F72-F77 AromaticContact CE2-CE2 3.74Å; F72-F77 HydrophobicContact CE2-CE2 3.74Å; F72-F77 HydrophobicContact CE2-CZ 4.29Å; F72-F77 HydrophobicContact CZ-CD2 4.06Å; F72-F77 HydrophobicContact CZ-CE2 4.24Å
73	D	61.3	Low	59.9	Low	34 Å²	34	96.1 Å²	96.1	18%	0.182	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	112.8	172.9	-168.1	-14.2	0	0	0	108.5	I58 M75 D76 F77	I58-D73 HydrophobicContact CG1-CB 4.42Å; D73-M75 PolarHBondContact O-N 2.92Å; D73-M75 WeakPolarHBondContact OD1-CB 3.35Å; D73-M75 PolarHBondContact OD1-N 2.89Å; D73-D76 WeakPolarHBondContact O-CB 3.37Å; D73-D76 PolarHBondContact O-N 2.94Å; D73-D76 VanDerWaalsContact O-N 3.16Å; D73-F77 WeakPolarHBondContact O-CD2 3.48Å
74	T	62.7	Low	60.9	Low	39 Å²	39	94 Å²	94	24%	0.239	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-59.2	-27.8	176.4	49	0	0	0	0	112.6	P57 F72 D76 F77 I78	P57-T74 HydrophobicContact CB-CG2 4.19Å; P57-T74 VanDerWaalsContact CB-OG1 3.28Å; P57-T74 WeakPolarHBondContact CB-OG1 3.29Å; P57-T74 WeakPolarHBondContact CD-OG1 3.42Å; P57-T74 WeakPolarHBondContact CG-OG1 3.07Å; P57-T74 PolarHBondContact O-N 2.82Å; P57-T74 PolarHBondContact O-OG1 3.45Å; P57-T74 VanDerWaalsContact O-OG1 3.12Å; F72-T74 HydrophobicContact CD1-CG2 4.19Å; F72-T74 HydrophobicContact CE1-CG2 3.9Å; T74-D76 VanDerWaalsContact C-N 3.27Å; T74-D76 PolarHBondContact O-N 3.4Å; T74-F77 PolarHBondContact O-N 3.48Å; T74-F77 VanDerWaalsContact O-N 3.1Å; T74-I78 VanDerWaalsContact O-CD1 3.28Å; T74-I78 WeakPolarHBondContact O-CD1 3.41Å; T74-I78 WeakPolarHBondContact O-CG1 3.44Å; T74-I78 PolarHBondContact O-N 3.09Å; T74-I78 VanDerWaalsContact O-N 3.14Å
75	M	55.9	Low	62.1	Low	59 Å²	59	85.6 Å²	85.6	29%	0.291	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-68.4	-24.2	178.4	-63.7	-66.1	160	0	0	113.4	W54 D73 F77 I78	W54-M75 HydrophobicContact CB-CE 3.65Å; W54-M75 HydrophobicContact CD2-CE 3.73Å; W54-M75 HydrophobicContact CE3-CE 3.22Å; W54-M75 HydrophobicContact CG-CE 3.96Å; W54-M75 HydrophobicContact CZ3-CE 4.01Å; D73-M75 PolarHBondContact O-N 2.92Å; D73-M75 WeakPolarHBondContact OD1-CB 3.35Å; D73-M75 PolarHBondContact OD1-N 2.89Å; M75-F77 PolarHBondContact O-N 2.61Å; M75-I78 HydrophobicContact CE-CD1 3.9Å; M75-I78 HydrophobicContact SD-CD1 3.68Å
76	D	55.3	Low	63.3	Low	47 Å²	47	79.7 Å²	79.7	25%	0.251	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-65.6	-18.6	173.6	-71.9	-17.2	0	0	0	112.2	D73 T74 K87	D73-D76 WeakPolarHBondContact O-CB 3.37Å; D73-D76 PolarHBondContact O-N 2.94Å; D73-D76 VanDerWaalsContact O-N 3.16Å; T74-D76 VanDerWaalsContact C-N 3.27Å; T74-D76 PolarHBondContact O-N 3.4Å; D76-K87 HydrophobicContact CB-CD 4.3Å; D76-K87 WeakPolarHBondContact OD1-CD 3.11Å; D76-K87 IonicContact OD1-NZ 2.68Å; D76-K87 PolarHBondContact OD1-NZ 3.34Å; D76-K87 IonicContact OD2-NZ 3.07Å; D76-K87 PolarHBondContact OD2-NZ 2.97Å
77	F	55.3	Low	64.8	Low	129 Å²	129	77.8 Å²	77.8	57%	0.566	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120	-2.7	-174.4	-58.1	-84.1	0	0	0	113.6	F72 D73 T74 M75 A79	F72-F77 HydrophobicContact CD2-CE2 4.16Å; F72-F77 HydrophobicContact CE2-CD2 4.04Å; F72-F77 AromaticContact CE2-CE2 3.74Å; F72-F77 HydrophobicContact CE2-CE2 3.74Å; F72-F77 HydrophobicContact CE2-CZ 4.29Å; F72-F77 HydrophobicContact CZ-CD2 4.06Å; F72-F77 HydrophobicContact CZ-CE2 4.24Å; D73-F77 WeakPolarHBondContact O-CD2 3.48Å; T74-F77 PolarHBondContact O-N 3.48Å; T74-F77 VanDerWaalsContact O-N 3.1Å; M75-F77 PolarHBondContact O-N 2.61Å; F77-A79 PolarHBondContact O-N 2.94Å
78	I	49.2	Very low	66.1	Low	65 Å²	65	70.1 Å²	70.1	33%	0.333	36%	0.362	S	S	.	.			trans	-88.5	99.3	175.1	-65.7	154.7	0	0	0	108	W54 T74 M75	W54-I78 HydrophobicContact CE3-CD1 4Å; W54-I78 HydrophobicContact CH2-CD1 3.84Å; W54-I78 HydrophobicContact CH2-CG1 4.45Å; W54-I78 HydrophobicContact CZ3-CD1 3.28Å; W54-I78 HydrophobicContact CZ3-CG1 4.31Å; T74-I78 VanDerWaalsContact O-CD1 3.28Å; T74-I78 WeakPolarHBondContact O-CD1 3.41Å; T74-I78 WeakPolarHBondContact O-CG1 3.44Å; T74-I78 PolarHBondContact O-N 3.09Å; T74-I78 VanDerWaalsContact O-N 3.14Å; M75-I78 HydrophobicContact CE-CD1 3.9Å; M75-I78 HydrophobicContact SD-CD1 3.68Å
79	A	54.9	Low	68	Low	32 Å²	32	69.1 Å²	69.1	26%	0.264	35%	0.352	S	S	.	.			trans	-102.7	155.5	159.7	0	0	0	0	0	108.8	F77 H83	F77-A79 PolarHBondContact O-N 2.94Å; A79-H83 HydrophobicContact CB-CB 4.45Å; A79-H83 WeakPolarHBondContact CB-O 3.28Å
80	E	61.3	Low	69.8	Low	147 Å²	147	67.4 Å²	67.4	69%	0.687	35%	0.35	S	S	*	.	S	Bend	trans	-50.3	142.3	158.6	-71.2	-179.6	168.5	0	0	108.4	G82 H83	E80-G82 PolarHBondContact O-N 3.49Å; E80-H83 HydrophobicContact CB-CB 4.42Å; E80-H83 PolarHBondContact O-N 3.49Å; E80-H83 IonicContact OE2-CD2 2.74Å
81	E	65	Low	71.4	Confident	195 Å²	195	65.4 Å²	65.4	91%	0.911	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.5	109.5	-169.6	-76.6	-173.9	165.8	0	0	112.2
82	G	72.8	Confident	73.1	Confident	33 Å²	33	61.2 Å²	61.2	34%	0.34	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.6	-11.6	175.3	0	0	0	0	0	117.1	E80 Y157 L158	E80-G82 PolarHBondContact O-N 3.49Å; G82-Y157 VanDerWaalsContact O-CE1 3.3Å; G82-Y157 WeakPolarHBondContact O-CE1 3.23Å; G82-L158 WeakPolarHBondContact O-CD1 3.18Å
83	H	84.8	Confident	74.8	Confident	38 Å²	38	63.4 Å²	63.4	18%	0.176	32%	0.323	C	S	.	.	S	Bend	trans	-74.6	156.9	179.3	-74.4	-81.2	0	0	0	113.2	A79 E80 L158 E209	A79-H83 HydrophobicContact CB-CB 4.45Å; A79-H83 WeakPolarHBondContact CB-O 3.28Å; E80-H83 HydrophobicContact CB-CB 4.42Å; E80-H83 PolarHBondContact O-N 3.49Å; E80-H83 IonicContact OE2-CD2 2.74Å; H83-L158 WeakPolarHBondContact CE1-CD2 3.42Å; H83-L158 WeakPolarHBondContact ND1-CD2 3.5Å; H83-E209 IonicContact CE1-OE1 3.84Å; H83-E209 IonicContact CG-OE1 2.76Å; H83-E209 IonicContact ND1-OE1 3.11Å; H83-E209 PolarHBondContact ND1-OE1 2.89Å; H83-E209 IonicContact ND1-OE2 2.96Å
84	F	86.4	Confident	76.2	Confident	4 Å²	4	65.4 Å²	65.4	2%	0.018	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-68.8	133	178.2	-160.3	-119	0	0	0	111.4	A88 I89 M92 I110 L111 F134 Y157 E209 L211	F84-A88 HydrophobicContact CD1-CB 4.05Å; F84-A88 HydrophobicContact CE1-CB 3.34Å; F84-A88 HydrophobicContact CE2-CB 4.4Å; F84-A88 HydrophobicContact CZ-CB 3.54Å; F84-I89 HydrophobicContact CB-CG1 4.38Å; F84-I89 HydrophobicContact CD1-CG1 3.6Å; F84-I89 HydrophobicContact CE1-CG1 4.46Å; F84-I89 HydrophobicContact CG-CG1 4.45Å; F84-M92 HydrophobicContact CE1-CE 3.89Å; F84-M92 HydrophobicContact CE1-CG 4.38Å; F84-M92 HydrophobicContact CE1-SD 3.57Å; F84-M92 VanDerWaalsContact CE1-SD 3.57Å; F84-M92 HydrophobicContact CE2-CE 4.49Å; F84-M92 HydrophobicContact CZ-CE 3.48Å; F84-M92 VanDerWaalsContact CZ-CE 3.48Å; F84-M92 HydrophobicContact CZ-SD 3.81Å; F84-I110 HydrophobicContact CD2-CG2 4.31Å; F84-I110 HydrophobicContact CE2-CG2 3.66Å; F84-I110 HydrophobicContact CZ-CG2 4.34Å; F84-L111 HydrophobicContact CE2-CD2 4.13Å; F84-L111 HydrophobicContact CZ-CD2 4.46Å; F84-F134 HydrophobicContact CB-CD2 4.04Å; F84-F134 HydrophobicContact CB-CE2 3.5Å; F84-F134 HydrophobicContact CB-CZ 4.3Å; F84-F134 AromaticContact CD1-CD2 3.66Å; F84-F134 HydrophobicContact CD1-CD2 3.66Å; F84-F134 HydrophobicContact CD1-CE2 4.02Å; F84-F134 HydrophobicContact CD1-CG 4.39Å; F84-F134 HydrophobicContact CE1-CD2 4.43Å; F84-F134 HydrophobicContact CG-CD2 4.04Å; F84-F134 HydrophobicContact CG-CE2 4.02Å; F84-Y157 HydrophobicContact CB-CD1 3.9Å; F84-Y157 HydrophobicContact CB-CE1 3.94Å; F84-Y157 AromaticContact CD2-CD1 3.89Å; F84-Y157 HydrophobicContact CD2-CD1 3.89Å; F84-Y157 AromaticContact CD2-CD2 3.65Å; F84-Y157 HydrophobicContact CD2-CD2 3.65Å; F84-Y157 AromaticContact CD2-CE1 3.76Å; F84-Y157 HydrophobicContact CD2-CE1 3.76Å; F84-Y157 AromaticContact CD2-CE2 3.5Å; F84-Y157 HydrophobicContact CD2-CE2 3.5Å; F84-Y157 AromaticContact CD2-CG 3.85Å; F84-Y157 HydrophobicContact CD2-CG 3.85Å; F84-Y157 AromaticContact CD2-CZ 3.56Å; F84-Y157 HydrophobicContact CE2-CD2 4.05Å; F84-Y157 AromaticContact CE2-CE2 3.87Å; F84-Y157 HydrophobicContact CE2-CE2 3.87Å; F84-Y157 HydrophobicContact CG-CD1 4.38Å; F84-Y157 HydrophobicContact CG-CE1 4.37Å; F84-E209 PolarHBondContact N-OE2 2.82Å; F84-L211 HydrophobicContact CE1-CD2 4.31Å; F84-L211 HydrophobicContact CE2-CD2 4.22Å; F84-L211 HydrophobicContact CZ-CD2 4.13Å
85	P	88.8	Confident	77.4	Confident	12 Å²	12	70 Å²	70	8%	0.078	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-57.8	133.5	-175.5	-28	36	0	0	0	113.2	K87 A88 I89 I110	P85-K87 VanDerWaalsContact C-N 3.27Å; P85-K87 PolarHBondContact O-N 2.85Å; P85-A88 HydrophobicContact CB-CB 4.18Å; P85-A88 WeakPolarHBondContact O-CA 3.19Å; P85-A88 WeakPolarHBondContact O-CB 3.39Å; P85-A88 PolarHBondContact O-N 3.28Å; P85-I89 PolarHBondContact O-N 3.13Å; P85-I110 HydrophobicContact CG-CD1 4.21Å; P85-I110 HydrophobicContact CG-CG2 4.18Å
86	P	87.1	Confident	79	Confident	73 Å²	73	68 Å²	68	47%	0.474	34%	0.339	S	S	.	.	H	α-helix	trans	-56.5	-37.2	-176.8	-27.9	34.6	0	0	0	114.3	A88 I89 Q90	P86-A88 VanDerWaalsContact C-N 3.34Å; P86-I89 WeakPolarHBondContact O-CB 3.49Å; P86-I89 PolarHBondContact O-N 2.98Å; P86-Q90 WeakPolarHBondContact O-CG 3.44Å; P86-Q90 PolarHBondContact O-N 2.88Å
87	K	86.3	Confident	80.6	Confident	98 Å²	98	70.7 Å²	70.7	43%	0.426	36%	0.361	S	S	.	.	H	α-helix	trans	-63.9	-39.7	175.6	-174.8	170.1	-177.7	173	0	112.1	D76 P85 Q90 I91	D76-K87 HydrophobicContact CB-CD 4.3Å; D76-K87 WeakPolarHBondContact OD1-CD 3.11Å; D76-K87 IonicContact OD1-NZ 2.68Å; D76-K87 PolarHBondContact OD1-NZ 3.34Å; D76-K87 IonicContact OD2-NZ 3.07Å; D76-K87 PolarHBondContact OD2-NZ 2.97Å; P85-K87 VanDerWaalsContact C-N 3.27Å; P85-K87 PolarHBondContact O-N 2.85Å; K87-Q90 PolarHBondContact O-N 3.42Å; K87-I91 HydrophobicContact CG-CD1 4.44Å; K87-I91 WeakPolarHBondContact O-CG1 3.42Å; K87-I91 PolarHBondContact O-N 3.34Å; K87-I91 VanDerWaalsContact O-N 3.08Å
88	A	88.9	Confident	82.3	Confident	1 Å²	1	73.3 Å²	73.3	1%	0.008	37%	0.367	C	S	.	.	H	α-helix	trans	-69.2	-35.9	176.1	0	0	0	0	0	111.6	F84 P85 P86 Q90 I91 M92 I110	F84-A88 HydrophobicContact CD1-CB 4.05Å; F84-A88 HydrophobicContact CE1-CB 3.34Å; F84-A88 HydrophobicContact CE2-CB 4.4Å; F84-A88 HydrophobicContact CZ-CB 3.54Å; P85-A88 HydrophobicContact CB-CB 4.18Å; P85-A88 WeakPolarHBondContact O-CA 3.19Å; P85-A88 WeakPolarHBondContact O-CB 3.39Å; P85-A88 PolarHBondContact O-N 3.28Å; P86-A88 VanDerWaalsContact C-N 3.34Å; A88-Q90 VanDerWaalsContact C-N 3.34Å; A88-Q90 PolarHBondContact O-N 2.62Å; A88-I91 PolarHBondContact O-N 2.48Å; A88-M92 WeakPolarHBondContact O-CB 3.17Å; A88-M92 WeakPolarHBondContact O-CG 3.28Å; A88-M92 PolarHBondContact O-N 3.12Å; A88-I110 HydrophobicContact CB-CD1 3.71Å
89	I	90.5	Very high	84.4	Confident	35 Å²	35	71.1 Å²	71.1	18%	0.179	36%	0.355	C	S	.	.	H	α-helix	trans	-58.1	-47.5	171.2	-62	172.9	0	0	0	110.2	F84 P85 P86 I91 M92 Q93 F134	F84-I89 HydrophobicContact CB-CG1 4.38Å; F84-I89 HydrophobicContact CD1-CG1 3.6Å; F84-I89 HydrophobicContact CE1-CG1 4.46Å; F84-I89 HydrophobicContact CG-CG1 4.45Å; P85-I89 PolarHBondContact O-N 3.13Å; P86-I89 WeakPolarHBondContact O-CB 3.49Å; P86-I89 PolarHBondContact O-N 2.98Å; I89-I91 VanDerWaalsContact C-N 3.33Å; I89-I91 PolarHBondContact O-N 3.06Å; I89-M92 PolarHBondContact O-N 3.46Å; I89-Q93 WeakPolarHBondContact O-CG 3.23Å; I89-Q93 PolarHBondContact O-N 3.36Å; I89-F134 HydrophobicContact CD1-CD1 4.33Å; I89-F134 HydrophobicContact CD1-CE1 3.9Å; I89-F134 HydrophobicContact CD1-CE2 4.45Å; I89-F134 HydrophobicContact CD1-CZ 3.96Å; I89-F134 HydrophobicContact CG1-CD1 4.07Å; I89-F134 HydrophobicContact CG1-CD2 4.3Å; I89-F134 HydrophobicContact CG1-CE1 4.13Å; I89-F134 HydrophobicContact CG1-CE2 4.36Å; I89-F134 HydrophobicContact CG1-CG 4.15Å; I89-F134 HydrophobicContact CG1-CZ 4.27Å; I89-F134 HydrophobicContact CG2-CD1 3.91Å; I89-F134 HydrophobicContact CG2-CE1 4.37Å; I89-F134 HydrophobicContact CG2-CG 4.42Å
90	Q	90.2	Very high	86.2	Confident	126 Å²	126	72.9 Å²	72.9	59%	0.589	36%	0.363	S	S	*	.	H	α-helix	trans	-61.1	-40.3	178.7	-69.5	173.9	11.2	0	0	112.3	P86 K87 A88 Q93	P86-Q90 WeakPolarHBondContact O-CG 3.44Å; P86-Q90 PolarHBondContact O-N 2.88Å; K87-Q90 PolarHBondContact O-N 3.42Å; A88-Q90 VanDerWaalsContact C-N 3.34Å; A88-Q90 PolarHBondContact O-N 2.62Å; Q90-Q93 PolarHBondContact O-N 2.91Å
91	I	91.9	Very high	87.7	Confident	12 Å²	12	71.7 Å²	71.7	6%	0.062	36%	0.357	C	S	.	.	H	α-helix	trans	-63.7	-44.7	175	-65.9	164.7	0	0	0	110.4	K87 A88 I89 Q93 K94 R99 E103 V107	K87-I91 HydrophobicContact CG-CD1 4.44Å; K87-I91 WeakPolarHBondContact O-CG1 3.42Å; K87-I91 PolarHBondContact O-N 3.34Å; K87-I91 VanDerWaalsContact O-N 3.08Å; A88-I91 PolarHBondContact O-N 2.48Å; I89-I91 VanDerWaalsContact C-N 3.33Å; I89-I91 PolarHBondContact O-N 3.06Å; I91-Q93 VanDerWaalsContact C-N 3.26Å; I91-Q93 PolarHBondContact O-N 3.25Å; I91-K94 VanDerWaalsContact O-CB 3.32Å; I91-K94 WeakPolarHBondContact O-CB 3.46Å; I91-K94 PolarHBondContact O-N 2.95Å; I91-K94 VanDerWaalsContact O-N 3.07Å; I91-R99 HydrophobicContact CG2-CG 4.37Å; I91-R99 PolarHBondContact O-NE 3.03Å; I91-E103 HydrophobicContact CD1-CB 4.07Å; I91-E103 HydrophobicContact CD1-CG 3.97Å; I91-E103 HydrophobicContact CG1-CB 4.3Å; I91-E103 HydrophobicContact CG1-CG 4.08Å; I91-E103 HydrophobicContact CG2-CB 3.91Å; I91-V107 HydrophobicContact CB-CG2 4.27Å; I91-V107 HydrophobicContact CD1-CG2 4.35Å; I91-V107 HydrophobicContact CG2-CG2 3.81Å
92	M	91.2	Very high	88.9	Confident	5 Å²	5	68.8 Å²	68.8	3%	0.025	35%	0.348	C	S	.	.	H	α-helix	trans	-70.7	-17.5	-178.6	-74.2	-168.2	177.4	0	0	114.5	F84 A88 I89 K94 R99 V107 L111 M132 F134 L211	F84-M92 HydrophobicContact CE1-CE 3.89Å; F84-M92 HydrophobicContact CE1-CG 4.38Å; F84-M92 HydrophobicContact CE1-SD 3.57Å; F84-M92 VanDerWaalsContact CE1-SD 3.57Å; F84-M92 HydrophobicContact CE2-CE 4.49Å; F84-M92 HydrophobicContact CZ-CE 3.48Å; F84-M92 VanDerWaalsContact CZ-CE 3.48Å; F84-M92 HydrophobicContact CZ-SD 3.81Å; A88-M92 WeakPolarHBondContact O-CB 3.17Å; A88-M92 WeakPolarHBondContact O-CG 3.28Å; A88-M92 PolarHBondContact O-N 3.12Å; I89-M92 PolarHBondContact O-N 3.46Å; M92-K94 VanDerWaalsContact C-N 3.33Å; M92-R99 PolarHBondContact O-NH2 3.22Å; M92-V107 HydrophobicContact CE-CG1 3.33Å; M92-L111 HydrophobicContact CE-CD1 4.37Å; M92-L111 HydrophobicContact CE-CD2 4.31Å; M92-M132 HydrophobicContact CE-CB 4.13Å; M92-M132 HydrophobicContact SD-CB 4.44Å; M92-F134 HydrophobicContact CB-CB 4.21Å; M92-F134 HydrophobicContact SD-CB 4.19Å; M92-L211 HydrophobicContact CE-CD2 3.86Å; M92-L211 HydrophobicContact SD-CD2 3.58Å; M92-L211 VanDerWaalsContact SD-CD2 3.58Å
93	Q	90.2	Very high	89.8	Confident	148 Å²	148	69.3 Å²	69.3	69%	0.692	34%	0.341	S	S	*	.	H	α-helix	trans	-76.1	-21.1	170.4	-73.5	173.8	-1.3	0	0	112.7	I89 Q90 I91	I89-Q93 WeakPolarHBondContact O-CG 3.23Å; I89-Q93 PolarHBondContact O-N 3.36Å; Q90-Q93 PolarHBondContact O-N 2.91Å; I91-Q93 VanDerWaalsContact C-N 3.26Å; I91-Q93 PolarHBondContact O-N 3.25Å
94	K	91.2	Very high	90.2	Very high	75 Å²	75	67.8 Å²	67.8	33%	0.326	33%	0.334	S	S	.	.	S	Bend	trans	-70.7	146.3	174.3	-58.4	-179.5	-173.9	179.1	0	110.2	I91 M92 R99 E103	I91-K94 VanDerWaalsContact O-CB 3.32Å; I91-K94 WeakPolarHBondContact O-CB 3.46Å; I91-K94 PolarHBondContact O-N 2.95Å; I91-K94 VanDerWaalsContact O-N 3.07Å; M92-K94 VanDerWaalsContact C-N 3.33Å; K94-R99 HydrophobicContact CB-CG 4.28Å; K94-R99 PolarHBondContact O-NE 2.85Å; K94-R99 PolarHBondContact O-NH2 3.14Å; K94-R99 VanDerWaalsContact O-NH2 3.11Å; K94-E103 IonicContact NZ-OE1 3.9Å; K94-E103 PolarHBondContact NZ-OE1 3Å; K94-E103 IonicContact NZ-OE2 3.7Å; K94-E103 PolarHBondContact NZ-OE2 2.95Å
95	K	87.9	Confident	90.4	Very high	135 Å²	135	71.2 Å²	71.2	59%	0.587	35%	0.35	S	S	*	.			trans	-57.5	146.5	169.6	-70.2	-170.2	174.8	-173.2	0	110.5	S97 W98	K95-S97 PolarHBondContact O-N 3.49Å; K95-W98 HydrophobicContact CB-CD2 4.38Å; K95-W98 HydrophobicContact CB-CG 4.5Å; K95-W98 PolarHBondContact O-N 3.25Å
96	P	89.8	Confident	90.5	Very high	18 Å²	18	72.6 Å²	72.6	12%	0.117	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-53.7	-30.9	180	-28.6	35.9	0	0	0	114.2	W98 K130 V131	P96-W98 VanDerWaalsContact C-N 3.31Å; P96-W98 PolarHBondContact O-N 3.12Å; P96-K130 HydrophobicContact CB-CG 4.36Å; P96-K130 WeakPolarHBondContact CB-O 3.35Å; P96-K130 VanDerWaalsContact O-CE 3.3Å; P96-K130 WeakPolarHBondContact O-CE 3.36Å; P96-V131 HydrophobicContact CB-CG1 4.45Å
97	S	88.9	Confident	90.7	Very high	104 Å²	104	69.2 Å²	69.2	73%	0.727	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-72.8	-17.4	178.6	-43.6	0	0	0	0	114.6	K95	K95-S97 PolarHBondContact O-N 3.49Å
98	W	90.4	Very high	91	Very high	183 Å²	183	64.8 Å²	64.8	69%	0.693	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-103.6	-1.7	-175.2	-64.9	-10.4	0	0	0	113.5	K95 P96	K95-W98 HydrophobicContact CB-CD2 4.38Å; K95-W98 HydrophobicContact CB-CG 4.5Å; K95-W98 PolarHBondContact O-N 3.25Å; P96-W98 VanDerWaalsContact C-N 3.31Å; P96-W98 PolarHBondContact O-N 3.12Å
99	R	92.9	Very high	91	Very high	19 Å²	19	69.3 Å²	69.3	7%	0.072	35%	0.346	C	S	.	.			trans	-79.3	133.2	176.9	-61.6	-175.8	-168.3	175.5	9.1	109.6	I91 M92 K94 I104 A129 K130 M132	I91-R99 HydrophobicContact CG2-CG 4.37Å; I91-R99 PolarHBondContact O-NE 3.03Å; M92-R99 PolarHBondContact O-NH2 3.22Å; K94-R99 HydrophobicContact CB-CG 4.28Å; K94-R99 PolarHBondContact O-NE 2.85Å; K94-R99 PolarHBondContact O-NH2 3.14Å; K94-R99 VanDerWaalsContact O-NH2 3.11Å; R99-I104 HydrophobicContact CB-CD1 4.29Å; R99-I104 HydrophobicContact CB-CG1 3.98Å; R99-A129 PolarHBondContact NH1-O 2.98Å; R99-K130 WeakPolarHBondContact CD-O 3.29Å; R99-K130 PolarHBondContact NE-O 3.41Å; R99-K130 VanDerWaalsContact NH1-C 3.33Å; R99-K130 PolarHBondContact NH1-O 2.83Å; R99-M132 VanDerWaalsContact CZ-O 3.3Å; R99-M132 PolarHBondContact NH1-O 2.94Å; R99-M132 PolarHBondContact NH2-O 3.1Å
100	T	93.6	Very high	91	Very high	70 Å²	70	69.2 Å²	69.2	43%	0.429	35%	0.346	S	S	.	.			trans	-81.9	160.3	173.3	61.6	0	0	0	0	110.7	D102 E103 I104	T100-D102 VanDerWaalsContact C-N 3.29Å; T100-D102 PolarHBondContact O-N 2.84Å; T100-E103 PolarHBondContact N-OE2 2.94Å; T100-E103 WeakPolarHBondContact O-CB 3.43Å; T100-E103 PolarHBondContact O-N 3.39Å; T100-E103 VanDerWaalsContact O-N 3.14Å; T100-E103 WeakPolarHBondContact OG1-CB 3.08Å; T100-E103 WeakPolarHBondContact OG1-CG 3.38Å; T100-E103 PolarHBondContact OG1-N 3.22Å; T100-I104 WeakPolarHBondContact O-CG1 3.12Å; T100-I104 PolarHBondContact O-N 3.36Å
101	E	92.3	Very high	91	Very high	121 Å²	121	63.2 Å²	63.2	57%	0.565	32%	0.318	S	S	*	.	H	α-helix	trans	-60.3	-39.7	179.8	-162.5	60.9	-148.8	0	0	112.1	E103 I104 Q105	E101-E103 VanDerWaalsContact C-N 3.31Å; E101-E103 PolarHBondContact O-N 2.61Å; E101-I104 PolarHBondContact O-N 3.18Å; E101-Q105 PolarHBondContact O-N 3.3Å
102	D	91.1	Very high	90.8	Very high	135 Å²	135	65.8 Å²	65.8	72%	0.722	33%	0.33	S	S	*	.	H	α-helix	trans	-63.1	-37.7	176.4	-61.3	-31.8	0	0	0	112.2	T100 A106	T100-D102 VanDerWaalsContact C-N 3.29Å; T100-D102 PolarHBondContact O-N 2.84Å; D102-A106 WeakPolarHBondContact O-CB 3.47Å; D102-A106 PolarHBondContact O-N 2.67Å
103	E	91.8	Very high	90.6	Very high	43 Å²	43	69.6 Å²	69.6	20%	0.201	35%	0.353	C	S	.	.	H	α-helix	trans	-68	-40.6	175.6	-75.3	177.2	171.1	0	0	111.4	I91 K94 T100 E101 A106 V107	I91-E103 HydrophobicContact CD1-CB 4.07Å; I91-E103 HydrophobicContact CD1-CG 3.97Å; I91-E103 HydrophobicContact CG1-CB 4.3Å; I91-E103 HydrophobicContact CG1-CG 4.08Å; I91-E103 HydrophobicContact CG2-CB 3.91Å; K94-E103 IonicContact NZ-OE1 3.9Å; K94-E103 PolarHBondContact NZ-OE1 3Å; K94-E103 IonicContact NZ-OE2 3.7Å; K94-E103 PolarHBondContact NZ-OE2 2.95Å; T100-E103 PolarHBondContact N-OE2 2.94Å; T100-E103 WeakPolarHBondContact O-CB 3.43Å; T100-E103 PolarHBondContact O-N 3.39Å; T100-E103 VanDerWaalsContact O-N 3.14Å; T100-E103 WeakPolarHBondContact OG1-CB 3.08Å; T100-E103 WeakPolarHBondContact OG1-CG 3.38Å; T100-E103 PolarHBondContact OG1-N 3.22Å; E101-E103 VanDerWaalsContact C-N 3.31Å; E101-E103 PolarHBondContact O-N 2.61Å; E103-A106 PolarHBondContact O-N 2.89Å; E103-V107 WeakPolarHBondContact O-CG2 3.13Å; E103-V107 PolarHBondContact O-N 3.41Å
104	I	92.8	Very high	90.5	Very high	6 Å²	6	62.6 Å²	62.6	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-63	-45.4	175.9	-65.5	165.5	0	0	0	109.9	R99 T100 E101 V107 C108 L126 A129 K130	R99-I104 HydrophobicContact CB-CD1 4.29Å; R99-I104 HydrophobicContact CB-CG1 3.98Å; T100-I104 WeakPolarHBondContact O-CG1 3.12Å; T100-I104 PolarHBondContact O-N 3.36Å; E101-I104 PolarHBondContact O-N 3.18Å; I104-V107 PolarHBondContact O-N 2.91Å; I104-C108 WeakPolarHBondContact O-CB 3.49Å; I104-C108 PolarHBondContact O-N 3.07Å; I104-L126 HydrophobicContact CG2-CD2 4.34Å; I104-L126 WeakPolarHBondContact CG2-O 3.01Å; I104-A129 HydrophobicContact CG2-CB 4.05Å; I104-K130 HydrophobicContact CD1-CB 3.99Å; I104-K130 HydrophobicContact CD1-CD 4.1Å; I104-K130 HydrophobicContact CD1-CG 3.87Å; I104-K130 HydrophobicContact CG1-CB 4.22Å; I104-K130 HydrophobicContact CG1-CG 4.44Å; I104-K130 HydrophobicContact CG2-CB 4.48Å
105	Q	91.4	Very high	90.2	Very high	76 Å²	76	62.8 Å²	62.8	36%	0.355	33%	0.325	S	S	.	.	H	α-helix	trans	-64.8	-41.3	178.1	-170.5	62.7	53.7	0	0	111.9	E101 V107 C108 N109	E101-Q105 PolarHBondContact O-N 3.3Å; Q105-V107 VanDerWaalsContact C-N 3.34Å; Q105-V107 PolarHBondContact O-N 3.3Å; Q105-C108 WeakPolarHBondContact O-CB 3.25Å; Q105-C108 PolarHBondContact O-N 3.32Å; Q105-N109 PolarHBondContact NE2-OD1 3.05Å; Q105-N109 VanDerWaalsContact NE2-OD1 3.1Å; Q105-N109 PolarHBondContact O-N 2.93Å; Q105-N109 PolarHBondContact O-ND2 3.11Å; Q105-N109 PolarHBondContact O-OD1 3.08Å
106	A	89.8	Confident	90.1	Very high	42 Å²	42	57.4 Å²	57.4	35%	0.347	30%	0.304	S	S	.	.	H	α-helix	trans	-60	-45.4	175.9	0	0	0	0	0	111.4	D102 E103 N109 I110	D102-A106 WeakPolarHBondContact O-CB 3.47Å; D102-A106 PolarHBondContact O-N 2.67Å; E103-A106 PolarHBondContact O-N 2.89Å; A106-N109 PolarHBondContact O-N 2.89Å; A106-I110 WeakPolarHBondContact O-CG1 3.28Å; A106-I110 PolarHBondContact O-N 2.79Å
107	V	92	Very high	90.1	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.006	30%	0.299	C	S	.	.	H	α-helix	trans	-62.3	-48.9	174.3	169.2	0	0	0	0	110.7	I91 M92 E103 I104 Q105 N109 I110 L111 A129	I91-V107 HydrophobicContact CB-CG2 4.27Å; I91-V107 HydrophobicContact CD1-CG2 4.35Å; I91-V107 HydrophobicContact CG2-CG2 3.81Å; M92-V107 HydrophobicContact CE-CG1 3.33Å; E103-V107 WeakPolarHBondContact O-CG2 3.13Å; E103-V107 PolarHBondContact O-N 3.41Å; I104-V107 PolarHBondContact O-N 2.91Å; Q105-V107 VanDerWaalsContact C-N 3.34Å; Q105-V107 PolarHBondContact O-N 3.3Å; V107-N109 VanDerWaalsContact C-N 3.26Å; V107-N109 PolarHBondContact O-N 2.9Å; V107-I110 WeakPolarHBondContact O-CB 3.28Å; V107-I110 PolarHBondContact O-N 3.34Å; V107-L111 HydrophobicContact CG1-CD1 3.7Å; V107-L111 HydrophobicContact CG1-CG 4.02Å; V107-L111 VanDerWaalsContact O-CG 3.28Å; V107-L111 WeakPolarHBondContact O-CG 3.05Å; V107-L111 PolarHBondContact O-N 2.9Å; V107-A129 HydrophobicContact CB-CB 4.3Å; V107-A129 HydrophobicContact CG1-CB 3.84Å
108	C	91.6	Very high	90.1	Very high	5 Å²	5	55 Å²	55	3%	0.034	28%	0.277	C	S	.	.	H	α-helix	trans	-52.1	-44.8	178.6	-175	0	0	0	0	111.9	I104 Q105 I110 L111 Q112 Y117 L126 A129	I104-C108 WeakPolarHBondContact O-CB 3.49Å; I104-C108 PolarHBondContact O-N 3.07Å; Q105-C108 WeakPolarHBondContact O-CB 3.25Å; Q105-C108 PolarHBondContact O-N 3.32Å; C108-I110 PolarHBondContact O-N 3.05Å; C108-L111 PolarHBondContact O-N 2.95Å; C108-Q112 WeakPolarHBondContact O-CG 3.03Å; C108-Q112 PolarHBondContact O-N 2.8Å; C108-Y117 PolarHBondContact SG-OH 2.96Å; C108-Y117 VanDerWaalsContact SG-OH 3.38Å; C108-L126 HydrophobicContact CB-CD2 4.2Å; C108-A129 HydrophobicContact CB-CB 4.14Å
109	N	89.6	Confident	89.9	Confident	96 Å²	96	47.9 Å²	47.9	51%	0.513	25%	0.252	S	S	.	.	H	α-helix	trans	-63.2	-38.5	178	-66.3	-18.3	0	0	0	112.8	Q105 A106 V107 L111	Q105-N109 PolarHBondContact NE2-OD1 3.05Å; Q105-N109 VanDerWaalsContact NE2-OD1 3.1Å; Q105-N109 PolarHBondContact O-N 2.93Å; Q105-N109 PolarHBondContact O-ND2 3.11Å; Q105-N109 PolarHBondContact O-OD1 3.08Å; A106-N109 PolarHBondContact O-N 2.89Å; V107-N109 VanDerWaalsContact C-N 3.26Å; V107-N109 PolarHBondContact O-N 2.9Å; N109-L111 VanDerWaalsContact C-N 3.33Å
110	I	89.5	Confident	89.7	Confident	33 Å²	33	48.2 Å²	48.2	17%	0.169	25%	0.254	C	S	.	.	H	α-helix	trans	-67.5	-37.6	176.2	-64.8	164.9	0	0	0	110.6	F84 P85 A88 A106 V107 C108 Q112 V113 Y157	F84-I110 HydrophobicContact CD2-CG2 4.31Å; F84-I110 HydrophobicContact CE2-CG2 3.66Å; F84-I110 HydrophobicContact CZ-CG2 4.34Å; P85-I110 HydrophobicContact CG-CD1 4.21Å; P85-I110 HydrophobicContact CG-CG2 4.18Å; A88-I110 HydrophobicContact CB-CD1 3.71Å; A106-I110 WeakPolarHBondContact O-CG1 3.28Å; A106-I110 PolarHBondContact O-N 2.79Å; V107-I110 WeakPolarHBondContact O-CB 3.28Å; V107-I110 PolarHBondContact O-N 3.34Å; C108-I110 PolarHBondContact O-N 3.05Å; I110-Q112 VanDerWaalsContact C-N 3.27Å; I110-Q112 PolarHBondContact O-N 3.35Å; I110-V113 WeakPolarHBondContact O-CG2 3.35Å; I110-V113 PolarHBondContact O-N 2.93Å; I110-Y157 HydrophobicContact CG2-CE2 4.43Å
111	L	90.3	Very high	89.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-72.5	-16.4	-178.2	-63.9	-177.9	0	0	0	114	F84 M92 V107 C108 N109 V113 L114 Y117 A129 M132 L211	F84-L111 HydrophobicContact CE2-CD2 4.13Å; F84-L111 HydrophobicContact CZ-CD2 4.46Å; M92-L111 HydrophobicContact CE-CD1 4.37Å; M92-L111 HydrophobicContact CE-CD2 4.31Å; V107-L111 HydrophobicContact CG1-CD1 3.7Å; V107-L111 HydrophobicContact CG1-CG 4.02Å; V107-L111 VanDerWaalsContact O-CG 3.28Å; V107-L111 WeakPolarHBondContact O-CG 3.05Å; V107-L111 PolarHBondContact O-N 2.9Å; C108-L111 PolarHBondContact O-N 2.95Å; N109-L111 VanDerWaalsContact C-N 3.33Å; L111-V113 PolarHBondContact O-N 2.96Å; L111-L114 HydrophobicContact CD2-CD1 4.26Å; L111-L114 WeakPolarHBondContact O-CB 3.36Å; L111-L114 PolarHBondContact O-N 2.87Å; L111-Y117 HydrophobicContact CB-CD1 3.57Å; L111-Y117 HydrophobicContact CB-CD2 4.27Å; L111-Y117 HydrophobicContact CB-CE1 3.42Å; L111-Y117 VanDerWaalsContact CB-CE1 3.42Å; L111-Y117 HydrophobicContact CB-CE2 4.15Å; L111-Y117 HydrophobicContact CB-CG 3.97Å; L111-Y117 HydrophobicContact CD1-CD2 4.29Å; L111-Y117 HydrophobicContact CD1-CE1 4.37Å; L111-Y117 HydrophobicContact CD1-CE2 3.75Å; L111-Y117 WeakPolarHBondContact O-CD1 3.18Å; L111-A129 HydrophobicContact CD1-CB 4.28Å; L111-M132 HydrophobicContact CD1-CE 4.44Å; L111-M132 HydrophobicContact CD1-SD 3.45Å; L111-M132 WeakPolarHBondContact CD1-SD 3.16Å; L111-L211 HydrophobicContact CD2-CD1 3.14Å; L111-L211 HydrophobicContact CD2-CG 4.47Å; L111-L211 HydrophobicContact CG-CD1 4.49Å
112	Q	88.6	Confident	89.3	Confident	67 Å²	67	46.7 Å²	46.7	31%	0.313	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-17.5	173.5	-64.1	-57	-39.1	0	0	113.3	C108 I110 L114 R118	C108-Q112 WeakPolarHBondContact O-CG 3.03Å; C108-Q112 PolarHBondContact O-N 2.8Å; I110-Q112 VanDerWaalsContact C-N 3.27Å; I110-Q112 PolarHBondContact O-N 3.35Å; Q112-L114 PolarHBondContact O-N 2.65Å; Q112-R118 WeakPolarHBondContact O-CD 3.47Å; Q112-R118 WeakPolarHBondContact O-CG 3.4Å; Q112-R118 PolarHBondContact O-NE 2.79Å
113	V	86.1	Confident	89.4	Confident	84 Å²	84	43.4 Å²	43.4	51%	0.509	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.2	173.4	179.6	0	0	0	0	112	I110 L111	I110-V113 WeakPolarHBondContact O-CG2 3.35Å; I110-V113 PolarHBondContact O-N 2.93Å; L111-V113 PolarHBondContact O-N 2.96Å
114	L	88.2	Confident	89.4	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	22%	0.222	C	C	.	.			trans	-91.4	119.7	-177.4	-55.7	178.1	0	0	0	111.7	L111 Q112 S116 Y117 R118 F155 Y157 L211	L111-L114 HydrophobicContact CD2-CD1 4.26Å; L111-L114 WeakPolarHBondContact O-CB 3.36Å; L111-L114 PolarHBondContact O-N 2.87Å; Q112-L114 PolarHBondContact O-N 2.65Å; L114-S116 VanDerWaalsContact C-N 3.35Å; L114-S116 PolarHBondContact O-N 3.35Å; L114-Y117 WeakPolarHBondContact O-CB 3.41Å; L114-Y117 PolarHBondContact O-N 2.72Å; L114-Y117 VanDerWaalsContact O-N 3.08Å; L114-R118 PolarHBondContact O-N 3.02Å; L114-R118 VanDerWaalsContact O-N 3.14Å; L114-F155 HydrophobicContact CD1-CB 4.23Å; L114-Y157 HydrophobicContact CD1-CD2 4.17Å; L114-Y157 HydrophobicContact CD2-CD2 3.93Å; L114-Y157 HydrophobicContact CG-CD2 4.26Å; L114-L211 HydrophobicContact CD1-CD1 3.69Å
115	D	85.3	Confident	89.4	Confident	80 Å²	80	42 Å²	42	43%	0.428	22%	0.224	S	C	.	.	H	α-helix	trans	-55.2	-47.5	178.7	-64.5	-15.5	0	0	0	112.5	Y117 R118 N119	D115-Y117 PolarHBondContact O-N 2.61Å; D115-R118 PolarHBondContact O-N 2.74Å; D115-R118 IonicContact OD1-CZ 3.93Å; D115-R118 IonicContact OD1-NE 3.86Å; D115-R118 IonicContact OD1-NH2 3.59Å; D115-R118 PolarHBondContact OD1-NH2 2.87Å; D115-N119 PolarHBondContact O-N 3.43Å; D115-N119 PolarHBondContact O-ND2 2.86Å
116	S	86.8	Confident	89.4	Confident	22 Å²	22	40.6 Å²	40.6	15%	0.154	22%	0.218	C	C	.	.	H	α-helix	trans	-64.6	-27.3	-179.9	-58.7	0	0	0	0	113.1	L114 Y120 G184 S185 C186	L114-S116 VanDerWaalsContact C-N 3.35Å; L114-S116 PolarHBondContact O-N 3.35Å; S116-Y120 WeakPolarHBondContact O-CD2 3.3Å; S116-Y120 VanDerWaalsContact O-CE2 3.25Å; S116-Y120 WeakPolarHBondContact O-CE2 3.42Å; S116-G184 WeakPolarHBondContact CB-O 3.44Å; S116-G184 PolarHBondContact N-O 3.21Å; S116-G184 PolarHBondContact OG-O 3.44Å; S116-S185 WeakPolarHBondContact OG-CA 3.49Å; S116-C186 PolarHBondContact OG-N 3.36Å
117	Y	89.9	Confident	89.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-76.4	-41.4	177.9	-179.9	-101.5	0	0	0	111.6	C108 L111 L114 D115 N119 Y120 Q125 L128 M132	C108-Y117 PolarHBondContact SG-OH 2.96Å; C108-Y117 VanDerWaalsContact SG-OH 3.38Å; L111-Y117 HydrophobicContact CB-CD1 3.57Å; L111-Y117 HydrophobicContact CB-CD2 4.27Å; L111-Y117 HydrophobicContact CB-CE1 3.42Å; L111-Y117 VanDerWaalsContact CB-CE1 3.42Å; L111-Y117 HydrophobicContact CB-CE2 4.15Å; L111-Y117 HydrophobicContact CB-CG 3.97Å; L111-Y117 HydrophobicContact CD1-CD2 4.29Å; L111-Y117 HydrophobicContact CD1-CE1 4.37Å; L111-Y117 HydrophobicContact CD1-CE2 3.75Å; L111-Y117 WeakPolarHBondContact O-CD1 3.18Å; L114-Y117 WeakPolarHBondContact O-CB 3.41Å; L114-Y117 PolarHBondContact O-N 2.72Å; L114-Y117 VanDerWaalsContact O-N 3.08Å; D115-Y117 PolarHBondContact O-N 2.61Å; Y117-N119 PolarHBondContact O-N 3.38Å; Y117-N119 VanDerWaalsContact O-N 3.12Å; Y117-Y120 PolarHBondContact O-N 2.8Å; Y117-Y120 VanDerWaalsContact O-N 3.09Å; Y117-Q125 HydrophobicContact CD1-CG 4.35Å; Y117-Q125 HydrophobicContact CE1-CB 3.96Å; Y117-Q125 HydrophobicContact CE1-CG 3.9Å; Y117-Q125 HydrophobicContact CE2-CB 4.22Å; Y117-Q125 HydrophobicContact CE2-CG 4.32Å; Y117-Q125 PolarHBondContact O-NE2 2.84Å; Y117-Q125 WeakPolarHBondContact OH-CA 3.47Å; Y117-Q125 WeakPolarHBondContact OH-CB 3.32Å; Y117-Q125 PolarHBondContact OH-O 3.17Å; Y117-L128 HydrophobicContact CD2-CD1 4.27Å; Y117-L128 HydrophobicContact CE2-CB 3.88Å; Y117-L128 HydrophobicContact CE2-CD1 4.15Å; Y117-M132 HydrophobicContact CD2-CE 3.95Å; Y117-M132 HydrophobicContact CE2-CE 4.05Å
118	R	87.6	Confident	89.6	Confident	72 Å²	72	40.7 Å²	40.7	27%	0.272	21%	0.213	S	C	.	.	H	α-helix	trans	-59	-24.4	177.4	-68.3	-167.6	-75.7	163.1	-1.1	113.5	Q112 L114 D115 Y120 Q125	Q112-R118 WeakPolarHBondContact O-CD 3.47Å; Q112-R118 WeakPolarHBondContact O-CG 3.4Å; Q112-R118 PolarHBondContact O-NE 2.79Å; L114-R118 PolarHBondContact O-N 3.02Å; L114-R118 VanDerWaalsContact O-N 3.14Å; D115-R118 PolarHBondContact O-N 2.74Å; D115-R118 IonicContact OD1-CZ 3.93Å; D115-R118 IonicContact OD1-NE 3.86Å; D115-R118 IonicContact OD1-NH2 3.59Å; D115-R118 PolarHBondContact OD1-NH2 2.87Å; R118-Y120 VanDerWaalsContact C-N 3.28Å; R118-Y120 PolarHBondContact O-N 3.14Å; R118-Q125 PolarHBondContact O-NE2 2.73Å
119	N	87.8	Confident	89.7	Confident	33 Å²	33	40.4 Å²	40.4	18%	0.176	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-17.1	179.1	-68.2	-23.6	0	0	0	113.8	D115 Y117 E262 R263	D115-N119 PolarHBondContact O-N 3.43Å; D115-N119 PolarHBondContact O-ND2 2.86Å; Y117-N119 PolarHBondContact O-N 3.38Å; Y117-N119 VanDerWaalsContact O-N 3.12Å; N119-E262 WeakPolarHBondContact OD1-CA 3.36Å; N119-R263 VanDerWaalsContact C-NH1 3.33Å; N119-R263 PolarHBondContact O-NH1 3.41Å; N119-R263 PolarHBondContact OD1-N 2.86Å
120	Y	88.8	Confident	89.8	Confident	26 Å²	26	38.9 Å²	38.9	10%	0.102	20%	0.2	C	C	.	.	S	Bend	trans	-83.1	151.1	175.2	-65.2	-71.3	0	0	0	112.2	S116 Y117 R118 L124 Q125 L128 F155 E189 R263	S116-Y120 WeakPolarHBondContact O-CD2 3.3Å; S116-Y120 VanDerWaalsContact O-CE2 3.25Å; S116-Y120 WeakPolarHBondContact O-CE2 3.42Å; Y117-Y120 PolarHBondContact O-N 2.8Å; Y117-Y120 VanDerWaalsContact O-N 3.09Å; R118-Y120 VanDerWaalsContact C-N 3.28Å; R118-Y120 PolarHBondContact O-N 3.14Å; Y120-L124 HydrophobicContact CD1-CD2 3.45Å; Y120-L124 VanDerWaalsContact CD1-CD2 3.45Å; Y120-L124 HydrophobicContact CD1-CG 4.27Å; Y120-L124 HydrophobicContact CE1-CD2 4.24Å; Y120-L124 HydrophobicContact CG-CD2 4.04Å; Y120-L124 HydrophobicContact CG-CG 4.42Å; Y120-Q125 PolarHBondContact O-NE2 3.16Å; Y120-L128 HydrophobicContact CD2-CD1 3.82Å; Y120-L128 HydrophobicContact CE2-CD1 4.29Å; Y120-L128 HydrophobicContact CG-CD1 4.04Å; Y120-F155 HydrophobicContact CD2-CZ 4.45Å; Y120-F155 AromaticContact CE2-CE1 3.84Å; Y120-F155 HydrophobicContact CE2-CE1 3.84Å; Y120-F155 AromaticContact CE2-CZ 3.68Å; Y120-F155 HydrophobicContact CE2-CZ 3.68Å; Y120-E189 PolarHBondContact OH-OE1 2.81Å; Y120-R263 PolarHBondContact O-NH1 3.13Å
121	A	87.9	Confident	90	Very high	15 Å²	15	37.5 Å²	37.5	12%	0.124	19%	0.193	C	C	.	.			trans	-62.5	150.7	176.2	0	0	0	0	0	111.5	P123 L124 Q125	A121-P123 VanDerWaalsContact C-CD 3.49Å; A121-L124 CarbonylContact O-C 3.56Å; A121-L124 WeakPolarHBondContact O-CA 3.38Å; A121-L124 WeakPolarHBondContact O-CB 3.49Å; A121-L124 PolarHBondContact O-N 3.33Å; A121-Q125 WeakPolarHBondContact O-CG 3.13Å; A121-Q125 PolarHBondContact O-N 2.97Å
122	E	89.6	Confident	90.1	Very high	143 Å²	143	37.5 Å²	37.5	67%	0.668	19%	0.193	S	C	*	.	H	α-helix	trans	-53	-43.1	-176.9	-175.8	179.4	-168.5	0	0	114.1	L124 Q125 L126	E122-L124 VanDerWaalsContact C-N 3.32Å; E122-L124 PolarHBondContact O-N 2.86Å; E122-Q125 WeakPolarHBondContact O-CB 3.4Å; E122-Q125 PolarHBondContact O-N 2.81Å; E122-L126 PolarHBondContact O-N 3.43Å; E122-L126 VanDerWaalsContact O-N 3.14Å
123	P	91.6	Very high	90.3	Very high	67 Å²	67	37.4 Å²	37.4	44%	0.435	19%	0.19	S	C	.	.	H	α-helix	trans	-60.5	-41.4	174.7	-23.3	34.8	0	0	0	112.7	A121 L126 L127	A121-P123 VanDerWaalsContact C-CD 3.49Å; P123-L126 PolarHBondContact O-N 3.4Å; P123-L127 WeakPolarHBondContact O-CG 3.19Å; P123-L127 PolarHBondContact O-N 2.99Å; P123-L127 VanDerWaalsContact O-N 3.11Å
124	L	91.5	Very high	90.7	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-70	-34.2	178.6	-178.1	56.1	0	0	0	111.5	Y120 A121 E122 L127 L128 L223 E226 V227	Y120-L124 HydrophobicContact CD1-CD2 3.45Å; Y120-L124 VanDerWaalsContact CD1-CD2 3.45Å; Y120-L124 HydrophobicContact CD1-CG 4.27Å; Y120-L124 HydrophobicContact CE1-CD2 4.24Å; Y120-L124 HydrophobicContact CG-CD2 4.04Å; Y120-L124 HydrophobicContact CG-CG 4.42Å; A121-L124 CarbonylContact O-C 3.56Å; A121-L124 WeakPolarHBondContact O-CA 3.38Å; A121-L124 WeakPolarHBondContact O-CB 3.49Å; A121-L124 PolarHBondContact O-N 3.33Å; E122-L124 VanDerWaalsContact C-N 3.32Å; E122-L124 PolarHBondContact O-N 2.86Å; L124-L127 PolarHBondContact O-N 3.48Å; L124-L128 HydrophobicContact CD1-CD1 4.45Å; L124-L128 HydrophobicContact CD1-CG 4.22Å; L124-L128 HydrophobicContact CG-CD1 4.09Å; L124-L128 HydrophobicContact CG-CG 4.37Å; L124-L128 VanDerWaalsContact O-CB 3.31Å; L124-L128 WeakPolarHBondContact O-CB 3.36Å; L124-L128 WeakPolarHBondContact O-CG 3.24Å; L124-L128 PolarHBondContact O-N 3.34Å; L124-L223 HydrophobicContact CD1-CB 3.99Å; L124-L223 HydrophobicContact CD1-CD2 4.11Å; L124-L223 HydrophobicContact CD1-CG 3.85Å; L124-E226 HydrophobicContact CB-CB 4.19Å; L124-E226 HydrophobicContact CD1-CB 4.23Å; L124-V227 HydrophobicContact CD2-CG2 3.83Å
125	Q	92.9	Very high	91	Very high	18 Å²	18	37.7 Å²	37.7	8%	0.084	19%	0.185	C	C	.	.	H	α-helix	trans	-59.4	-47.7	173.2	-72	-179.8	12	0	0	111.4	Y117 R118 Y120 A121 E122 L127 L128 A129	Y117-Q125 HydrophobicContact CD1-CG 4.35Å; Y117-Q125 HydrophobicContact CE1-CB 3.96Å; Y117-Q125 HydrophobicContact CE1-CG 3.9Å; Y117-Q125 HydrophobicContact CE2-CB 4.22Å; Y117-Q125 HydrophobicContact CE2-CG 4.32Å; Y117-Q125 PolarHBondContact O-NE2 2.84Å; Y117-Q125 WeakPolarHBondContact OH-CA 3.47Å; Y117-Q125 WeakPolarHBondContact OH-CB 3.32Å; Y117-Q125 PolarHBondContact OH-O 3.17Å; R118-Q125 PolarHBondContact O-NE2 2.73Å; Y120-Q125 PolarHBondContact O-NE2 3.16Å; A121-Q125 WeakPolarHBondContact O-CG 3.13Å; A121-Q125 PolarHBondContact O-N 2.97Å; E122-Q125 WeakPolarHBondContact O-CB 3.4Å; E122-Q125 PolarHBondContact O-N 2.81Å; Q125-L127 PolarHBondContact O-N 3.48Å; Q125-L128 PolarHBondContact O-N 3.17Å; Q125-A129 WeakPolarHBondContact O-CB 3.4Å; Q125-A129 PolarHBondContact O-N 3.41Å
126	L	92.8	Very high	91.4	Very high	45 Å²	45	39 Å²	39	24%	0.236	18%	0.184	C	C	.	.	H	α-helix	trans	-61.8	-44.5	177.1	-67.9	172.9	0	0	0	111.9	I104 C108 E122 P123 L128 A129 K130	I104-L126 HydrophobicContact CG2-CD2 4.34Å; I104-L126 WeakPolarHBondContact CG2-O 3.01Å; C108-L126 HydrophobicContact CB-CD2 4.2Å; E122-L126 PolarHBondContact O-N 3.43Å; E122-L126 VanDerWaalsContact O-N 3.14Å; P123-L126 PolarHBondContact O-N 3.4Å; L126-L128 VanDerWaalsContact C-N 3.34Å; L126-L128 PolarHBondContact O-N 3.14Å; L126-A129 PolarHBondContact O-N 3.48Å; L126-K130 PolarHBondContact O-N 3.44Å
127	L	92.9	Very high	91.7	Very high	43 Å²	43	40.4 Å²	40.4	23%	0.225	19%	0.187	C	C	.	.	H	α-helix	trans	-62.1	-41.5	176.2	-68.7	176	0	0	0	112	P123 L124 Q125 K130 V131 L223 E226	P123-L127 WeakPolarHBondContact O-CG 3.19Å; P123-L127 PolarHBondContact O-N 2.99Å; P123-L127 VanDerWaalsContact O-N 3.11Å; L124-L127 PolarHBondContact O-N 3.48Å; Q125-L127 PolarHBondContact O-N 3.48Å; L127-K130 WeakPolarHBondContact O-CB 3.35Å; L127-K130 PolarHBondContact O-N 2.92Å; L127-V131 WeakPolarHBondContact O-CG2 3.48Å; L127-V131 PolarHBondContact O-N 2.88Å; L127-L223 HydrophobicContact CB-CD1 3.87Å; L127-L223 HydrophobicContact CB-CG 3.95Å; L127-L223 HydrophobicContact CD1-CD1 4.5Å; L127-E226 HydrophobicContact CD1-CG 3.86Å
128	L	92.9	Very high	91.8	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-61.8	-46.8	174.7	-76.2	169.3	0	0	0	111.5	Y117 Y120 L124 Q125 L126 K130 V131 M132 F153 V213 L223	Y117-L128 HydrophobicContact CD2-CD1 4.27Å; Y117-L128 HydrophobicContact CE2-CB 3.88Å; Y117-L128 HydrophobicContact CE2-CD1 4.15Å; Y120-L128 HydrophobicContact CD2-CD1 3.82Å; Y120-L128 HydrophobicContact CE2-CD1 4.29Å; Y120-L128 HydrophobicContact CG-CD1 4.04Å; L124-L128 HydrophobicContact CD1-CD1 4.45Å; L124-L128 HydrophobicContact CD1-CG 4.22Å; L124-L128 HydrophobicContact CG-CD1 4.09Å; L124-L128 HydrophobicContact CG-CG 4.37Å; L124-L128 VanDerWaalsContact O-CB 3.31Å; L124-L128 WeakPolarHBondContact O-CB 3.36Å; L124-L128 WeakPolarHBondContact O-CG 3.24Å; L124-L128 PolarHBondContact O-N 3.34Å; Q125-L128 PolarHBondContact O-N 3.17Å; L126-L128 VanDerWaalsContact C-N 3.34Å; L126-L128 PolarHBondContact O-N 3.14Å; L128-K130 PolarHBondContact O-N 2.99Å; L128-V131 PolarHBondContact O-N 2.9Å; L128-V131 VanDerWaalsContact O-N 3.09Å; L128-M132 HydrophobicContact CB-CE 3.77Å; L128-M132 HydrophobicContact CB-SD 4.39Å; L128-M132 HydrophobicContact CD1-CE 4.42Å; L128-M132 HydrophobicContact CD2-CE 4.14Å; L128-M132 HydrophobicContact CG-CE 4.34Å; L128-M132 WeakPolarHBondContact O-CB 3.14Å; L128-M132 WeakPolarHBondContact O-CG 3.39Å; L128-M132 PolarHBondContact O-N 3.22Å; L128-F153 HydrophobicContact CD2-CE1 4.41Å; L128-F153 HydrophobicContact CD2-CZ 3.79Å; L128-V213 HydrophobicContact CD2-CG2 4.06Å; L128-L223 HydrophobicContact CD2-CD2 3.55Å; L128-L223 HydrophobicContact CG-CD2 4.03Å
129	A	92.9	Very high	92	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.6	-30.4	176.8	0	0	0	0	0	112.5	R99 I104 V107 C108 L111 Q125 L126	R99-A129 PolarHBondContact NH1-O 2.98Å; I104-A129 HydrophobicContact CG2-CB 4.05Å; V107-A129 HydrophobicContact CB-CB 4.3Å; V107-A129 HydrophobicContact CG1-CB 3.84Å; C108-A129 HydrophobicContact CB-CB 4.14Å; L111-A129 HydrophobicContact CD1-CB 4.28Å; Q125-A129 WeakPolarHBondContact O-CB 3.4Å; Q125-A129 PolarHBondContact O-N 3.41Å; L126-A129 PolarHBondContact O-N 3.48Å
130	K	92.4	Very high	92	Very high	64 Å²	64	52.7 Å²	52.7	28%	0.278	24%	0.243	S	C	.	.	H	α-helix	trans	-72.2	-34.3	175.2	-175.5	-179.7	177.6	-176.7	0	113.8	P96 R99 I104 L126 L127 L128	P96-K130 HydrophobicContact CB-CG 4.36Å; P96-K130 WeakPolarHBondContact CB-O 3.35Å; P96-K130 VanDerWaalsContact O-CE 3.3Å; P96-K130 WeakPolarHBondContact O-CE 3.36Å; R99-K130 WeakPolarHBondContact CD-O 3.29Å; R99-K130 PolarHBondContact NE-O 3.41Å; R99-K130 VanDerWaalsContact NH1-C 3.33Å; R99-K130 PolarHBondContact NH1-O 2.83Å; I104-K130 HydrophobicContact CD1-CB 3.99Å; I104-K130 HydrophobicContact CD1-CD 4.1Å; I104-K130 HydrophobicContact CD1-CG 3.87Å; I104-K130 HydrophobicContact CG1-CB 4.22Å; I104-K130 HydrophobicContact CG1-CG 4.44Å; I104-K130 HydrophobicContact CG2-CB 4.48Å; L126-K130 PolarHBondContact O-N 3.44Å; L127-K130 WeakPolarHBondContact O-CB 3.35Å; L127-K130 PolarHBondContact O-N 2.92Å; L128-K130 PolarHBondContact O-N 2.99Å
131	V	92.6	Very high	92.1	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.018	27%	0.266	C	S	.	.	H	α-helix	trans	-100.9	-22.7	-173.5	-59.3	0	0	0	0	114.6	P96 L127 L128 V213 D217 N221 L223	P96-V131 HydrophobicContact CB-CG1 4.45Å; L127-V131 WeakPolarHBondContact O-CG2 3.48Å; L127-V131 PolarHBondContact O-N 2.88Å; L128-V131 PolarHBondContact O-N 2.9Å; L128-V131 VanDerWaalsContact O-N 3.09Å; V131-V213 HydrophobicContact CG2-CG1 3.74Å; V131-V213 HydrophobicContact CG2-CG2 4.21Å; V131-D217 HydrophobicContact CB-CB 4.12Å; V131-D217 HydrophobicContact CG1-CB 4.22Å; V131-N221 HydrophobicContact CG1-CB 3.8Å; V131-N221 VanDerWaalsContact CG1-ND2 3.3Å; V131-N221 WeakPolarHBondContact CG1-ND2 3.45Å; V131-L223 HydrophobicContact CG1-CD1 4.31Å; V131-L223 HydrophobicContact CG2-CD1 4.5Å; V131-L223 HydrophobicContact CG2-CD2 3.97Å
132	M	93.5	Very high	92.2	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	28%	0.277	C	S	.	.			trans	-59.1	139.3	-176.3	-81.1	168	176.1	0	0	112.9	M92 R99 L111 Y117 L128 F155 L211 V212 V213	M92-M132 HydrophobicContact CE-CB 4.13Å; M92-M132 HydrophobicContact SD-CB 4.44Å; R99-M132 VanDerWaalsContact CZ-O 3.3Å; R99-M132 PolarHBondContact NH1-O 2.94Å; R99-M132 PolarHBondContact NH2-O 3.1Å; L111-M132 HydrophobicContact CD1-CE 4.44Å; L111-M132 HydrophobicContact CD1-SD 3.45Å; L111-M132 WeakPolarHBondContact CD1-SD 3.16Å; Y117-M132 HydrophobicContact CD2-CE 3.95Å; Y117-M132 HydrophobicContact CE2-CE 4.05Å; L128-M132 HydrophobicContact CB-CE 3.77Å; L128-M132 HydrophobicContact CB-SD 4.39Å; L128-M132 HydrophobicContact CD1-CE 4.42Å; L128-M132 HydrophobicContact CD2-CE 4.14Å; L128-M132 HydrophobicContact CG-CE 4.34Å; L128-M132 WeakPolarHBondContact O-CB 3.14Å; L128-M132 WeakPolarHBondContact O-CG 3.39Å; L128-M132 PolarHBondContact O-N 3.22Å; M132-F155 HydrophobicContact CE-CD2 3.53Å; M132-F155 HydrophobicContact CE-CE2 3.24Å; M132-F155 HydrophobicContact CE-CG 4.33Å; M132-F155 HydrophobicContact CE-CZ 3.85Å; M132-L211 HydrophobicContact CG-CB 4.46Å; M132-L211 HydrophobicContact SD-CB 4.29Å; M132-L211 HydrophobicContact SD-CD1 4.41Å; M132-V212 CarbonylContact C-O 3.6Å; M132-V212 WeakPolarHBondContact CA-O 3.5Å; M132-V213 HydrophobicContact CB-CG2 4.39Å; M132-V213 HydrophobicContact CE-CG2 4.27Å; M132-V213 HydrophobicContact CG-CG2 3.41Å; M132-V213 VanDerWaalsContact CG-CG2 3.41Å
133	R	93.3	Very high	92.3	Very high	66 Å²	66	55.2 Å²	55.2	25%	0.249	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	148.4	170.3	66.9	-170.3	176.5	85.7	-0.2	110.8	E135 L211 V212 D214	R133-E135 IonicContact CZ-OE1 2.86Å; R133-E135 VanDerWaalsContact NH1-CG 3.33Å; R133-E135 IonicContact NH1-OE1 2.77Å; R133-E135 PolarHBondContact NH1-OE1 3.06Å; R133-E135 IonicContact NH1-OE2 3.93Å; R133-E135 IonicContact NH2-OE1 3.77Å; R133-L211 CarbonylContact O-C 3.59Å; R133-L211 WeakPolarHBondContact O-CA 3.35Å; R133-V212 HydrophobicContact CG-CB 3.8Å; R133-V212 WeakPolarHBondContact CG-O 3.11Å; R133-V212 PolarHBondContact N-O 2.97Å; R133-V212 PolarHBondContact O-N 3.09Å; R133-D214 WeakPolarHBondContact CD-OD2 3.05Å; R133-D214 IonicContact CZ-OD1 3.07Å; R133-D214 IonicContact CZ-OD2 2.97Å; R133-D214 IonicContact NE-OD1 2.75Å; R133-D214 PolarHBondContact NE-OD1 3.42Å; R133-D214 IonicContact NE-OD2 3.97Å; R133-D214 PolarHBondContact NE-OD2 3.11Å; R133-D214 IonicContact NH2-OD1 3.6Å; R133-D214 PolarHBondContact NH2-OD1 3.22Å; R133-D214 IonicContact NH2-OD2 3.67Å
134	F	94.3	Very high	92.3	Very high	42 Å²	42	52.4 Å²	52.4	18%	0.184	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	132.6	179	176.6	-96.2	0	0	0	110.8	F84 I89 M92 R136 E209 L211	F84-F134 HydrophobicContact CB-CD2 4.04Å; F84-F134 HydrophobicContact CB-CE2 3.5Å; F84-F134 HydrophobicContact CB-CZ 4.3Å; F84-F134 AromaticContact CD1-CD2 3.66Å; F84-F134 HydrophobicContact CD1-CD2 3.66Å; F84-F134 HydrophobicContact CD1-CE2 4.02Å; F84-F134 HydrophobicContact CD1-CG 4.39Å; F84-F134 HydrophobicContact CE1-CD2 4.43Å; F84-F134 HydrophobicContact CG-CD2 4.04Å; F84-F134 HydrophobicContact CG-CE2 4.02Å; I89-F134 HydrophobicContact CD1-CD1 4.33Å; I89-F134 HydrophobicContact CD1-CE1 3.9Å; I89-F134 HydrophobicContact CD1-CE2 4.45Å; I89-F134 HydrophobicContact CD1-CZ 3.96Å; I89-F134 HydrophobicContact CG1-CD1 4.07Å; I89-F134 HydrophobicContact CG1-CD2 4.3Å; I89-F134 HydrophobicContact CG1-CE1 4.13Å; I89-F134 HydrophobicContact CG1-CE2 4.36Å; I89-F134 HydrophobicContact CG1-CG 4.15Å; I89-F134 HydrophobicContact CG1-CZ 4.27Å; I89-F134 HydrophobicContact CG2-CD1 3.91Å; I89-F134 HydrophobicContact CG2-CE1 4.37Å; I89-F134 HydrophobicContact CG2-CG 4.42Å; M92-F134 HydrophobicContact CB-CB 4.21Å; M92-F134 HydrophobicContact SD-CB 4.19Å; F134-R136 HydrophobicContact CE1-CB 4.16Å; F134-R136 HydrophobicContact CZ-CB 4.29Å; F134-E209 HydrophobicContact CE2-CB 3.86Å; F134-E209 HydrophobicContact CE2-CG 4.13Å; F134-E209 HydrophobicContact CZ-CB 4.16Å; F134-E209 HydrophobicContact CZ-CG 3.95Å; F134-L211 HydrophobicContact CD2-CD2 4.24Å
135	E	93.4	Very high	92.2	Very high	48 Å²	48	55.4 Å²	55.4	22%	0.224	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146.6	170.4	-71.1	-163.4	142.3	0	0	111.2	R133 F137 F210 V212	R133-E135 IonicContact CZ-OE1 2.86Å; R133-E135 VanDerWaalsContact NH1-CG 3.33Å; R133-E135 IonicContact NH1-OE1 2.77Å; R133-E135 PolarHBondContact NH1-OE1 3.06Å; R133-E135 IonicContact NH1-OE2 3.93Å; R133-E135 IonicContact NH2-OE1 3.77Å; E135-F137 HydrophobicContact CB-CD2 4.48Å; E135-F137 HydrophobicContact CB-CE2 3.81Å; E135-F137 HydrophobicContact CB-CZ 4.17Å; E135-F137 HydrophobicContact CG-CE2 4.47Å; E135-F137 HydrophobicContact CG-CZ 4.47Å; E135-F137 WeakPolarHBondContact OE2-CE2 3.46Å; E135-F137 VanDerWaalsContact OE2-CZ 3.23Å; E135-F137 WeakPolarHBondContact OE2-CZ 3.39Å; E135-F210 PolarHBondContact N-O 2.94Å; E135-F210 PolarHBondContact O-N 2.86Å; E135-V212 HydrophobicContact CB-CG2 4.08Å; E135-V212 HydrophobicContact CG-CG2 3.91Å; E135-V212 WeakPolarHBondContact OE2-CG2 3.46Å
136	R	93.1	Very high	92	Very high	109 Å²	109	58.3 Å²	58.3	41%	0.411	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	129.7	176	-178.3	169.8	171.5	160	-6.7	109.5	F134 E207 T208 E209	F134-R136 HydrophobicContact CE1-CB 4.16Å; F134-R136 HydrophobicContact CZ-CB 4.29Å; R136-E207 HydrophobicContact CG-CG 4.45Å; R136-E207 IonicContact CZ-OE1 2.85Å; R136-E207 IonicContact CZ-OE2 3.72Å; R136-E207 VanDerWaalsContact NE-CD 3.31Å; R136-E207 IonicContact NE-OE1 2.62Å; R136-E207 PolarHBondContact NE-OE1 3.22Å; R136-E207 IonicContact NH2-OE1 3.58Å; R136-E207 PolarHBondContact NH2-OE1 3.31Å; R136-E207 IonicContact NH2-OE2 2.69Å; R136-E207 PolarHBondContact NH2-OE2 3.17Å; R136-T208 WeakPolarHBondContact CA-O 3.24Å; R136-E209 HydrophobicContact CB-CG 4.48Å; R136-E209 HydrophobicContact CG-CG 4.15Å; R136-E209 IonicContact CZ-OE1 3.17Å; R136-E209 IonicContact NH1-OE1 3.9Å; R136-E209 PolarHBondContact NH1-OE1 3.41Å
137	F	93.8	Very high	91.6	Very high	50 Å²	50	58.1 Å²	58.1	22%	0.219	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	145.2	179.4	-64.7	-66	0	0	0	111.5	E135 R141 I143 E207 T208 F210	E135-F137 HydrophobicContact CB-CD2 4.48Å; E135-F137 HydrophobicContact CB-CE2 3.81Å; E135-F137 HydrophobicContact CB-CZ 4.17Å; E135-F137 HydrophobicContact CG-CE2 4.47Å; E135-F137 HydrophobicContact CG-CZ 4.47Å; E135-F137 WeakPolarHBondContact OE2-CE2 3.46Å; E135-F137 VanDerWaalsContact OE2-CZ 3.23Å; E135-F137 WeakPolarHBondContact OE2-CZ 3.39Å; F137-R141 HydrophobicContact CB-CB 4.23Å; F137-R141 HydrophobicContact CB-CG 4.26Å; F137-R141 HydrophobicContact CD1-CG 4.07Å; F137-R141 HydrophobicContact CG-CG 4.34Å; F137-I143 HydrophobicContact CB-CD1 3.92Å; F137-I143 HydrophobicContact CD1-CD1 4.26Å; F137-I143 HydrophobicContact CD2-CD1 3.26Å; F137-I143 HydrophobicContact CD2-CG1 4.42Å; F137-I143 HydrophobicContact CE2-CD1 3.76Å; F137-I143 HydrophobicContact CG-CD1 3.55Å; F137-I143 HydrophobicContact CZ-CD1 4.43Å; F137-E207 WeakPolarHBondContact O-CA 3.31Å; F137-T208 PolarHBondContact N-O 3.27Å; F137-T208 PolarHBondContact O-N 3.46Å; F137-T208 PolarHBondContact O-OG1 3.47Å; F137-F210 HydrophobicContact CB-CE2 4.33Å; F137-F210 AromaticContact CD2-CD2 3.58Å; F137-F210 HydrophobicContact CD2-CD2 3.58Å; F137-F210 AromaticContact CD2-CE2 3.67Å; F137-F210 HydrophobicContact CD2-CE2 3.67Å; F137-F210 HydrophobicContact CE2-CD2 4.18Å; F137-F210 HydrophobicContact CG-CE2 4.5Å
138	G	91.5	Very high	91.2	Very high	39 Å²	39	61.2 Å²	61.2	40%	0.402	28%	0.28	S	S	.	.			trans	-80.1	167.7	175.6	0	0	0	0	0	113.2	R141	G138-R141 VanDerWaalsContact O-CB 3.25Å; G138-R141 WeakPolarHBondContact O-CB 3.25Å; G138-R141 PolarHBondContact O-N 2.94Å
139	R	91.6	Very high	90.7	Very high	156 Å²	156	68.9 Å²	68.9	59%	0.589	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	145.4	172.9	176.3	166.5	-169.6	-157.8	2	112.1	R141 M205 E206	R139-R141 PolarHBondContact O-N 2.96Å; R139-M205 WeakPolarHBondContact CD-O 3.11Å; R139-M205 WeakPolarHBondContact CG-O 3.38Å; R139-M205 PolarHBondContact NE-O 2.9Å; R139-E206 PolarHBondContact N-O 2.93Å
140	R	88.4	Confident	89.9	Confident	169 Å²	169	68.9 Å²	68.9	64%	0.638	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	8.2	-178.1	-66.7	166.4	-179.5	-148.3	0.7	115	F173 C204	R140-F173 HydrophobicContact CB-CE2 4.4Å; R140-F173 HydrophobicContact CB-CZ 4.32Å; R140-F173 HydrophobicContact CG-CE1 4.19Å; R140-F173 HydrophobicContact CG-CE2 3.73Å; R140-F173 HydrophobicContact CG-CZ 3.49Å; R140-F173 VanDerWaalsContact CG-CZ 3.49Å; R140-C204 WeakPolarHBondContact CA-O 3.48Å; R140-C204 PolarHBondContact N-O 2.85Å
141	R	90.8	Very high	89.5	Confident	154 Å²	154	70.1 Å²	70.1	58%	0.581	32%	0.323	S	S	*	.			trans	-76.7	128.6	173.5	-166.9	67.5	178.4	-175.8	-0.2	110.8	F137 G138 R139 I143 V203 C204	F137-R141 HydrophobicContact CB-CB 4.23Å; F137-R141 HydrophobicContact CB-CG 4.26Å; F137-R141 HydrophobicContact CD1-CG 4.07Å; F137-R141 HydrophobicContact CG-CG 4.34Å; G138-R141 VanDerWaalsContact O-CB 3.25Å; G138-R141 WeakPolarHBondContact O-CB 3.25Å; G138-R141 PolarHBondContact O-N 2.94Å; R139-R141 PolarHBondContact O-N 2.96Å; R141-I143 HydrophobicContact CB-CD1 4.38Å; R141-I143 HydrophobicContact CG-CD1 4.04Å; R141-V203 WeakPolarHBondContact O-CA 3.35Å; R141-C204 PolarHBondContact O-N 3.33Å; R141-C204 PolarHBondContact O-SG 2.63Å
142	V	91.1	Very high	89.4	Confident	57 Å²	57	70.6 Å²	70.6	35%	0.345	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	120.7	170.6	-175.6	0	0	0	0	108.6	I144 T201 V203	V142-I144 WeakPolarHBondContact CG1-O 3.41Å; V142-T201 HydrophobicContact CG1-CG2 3.73Å; V142-V203 HydrophobicContact CG2-CG1 4.48Å; V142-V203 HydrophobicContact CG2-CG2 4.14Å
143	I	91.6	Very high	89.3	Confident	26 Å²	26	70.9 Å²	70.9	13%	0.133	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-41.4	-178.8	-54.3	-51	0	0	0	110.7	F137 R141 Y154 F187 I202 C204 F210	F137-I143 HydrophobicContact CB-CD1 3.92Å; F137-I143 HydrophobicContact CD1-CD1 4.26Å; F137-I143 HydrophobicContact CD2-CD1 3.26Å; F137-I143 HydrophobicContact CD2-CG1 4.42Å; F137-I143 HydrophobicContact CE2-CD1 3.76Å; F137-I143 HydrophobicContact CG-CD1 3.55Å; F137-I143 HydrophobicContact CZ-CD1 4.43Å; R141-I143 HydrophobicContact CB-CD1 4.38Å; R141-I143 HydrophobicContact CG-CD1 4.04Å; I143-Y154 HydrophobicContact CG2-CD1 4.08Å; I143-Y154 HydrophobicContact CG2-CE1 3.75Å; I143-Y154 HydrophobicContact CG2-CE2 4.22Å; I143-Y154 HydrophobicContact CG2-CG 4.48Å; I143-F187 HydrophobicContact CG2-CE2 4.37Å; I143-F187 HydrophobicContact CG2-CZ 4.46Å; I143-I202 PolarHBondContact N-O 3.25Å; I143-C204 VanDerWaalsContact CD1-SG 3.55Å; I143-C204 WeakPolarHBondContact CG1-SG 3.48Å; I143-F210 HydrophobicContact CD1-CE2 4.16Å; I143-F210 HydrophobicContact CG1-CE2 4.1Å; I143-F210 HydrophobicContact CG1-CZ 4.13Å
144	I	90.2	Very high	89.3	Confident	7 Å²	7	68.8 Å²	68.8	4%	0.036	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	131.3	179	-62.9	-172.9	0	0	0	107.3	V142 Y154 F187 R198 T201 I202	V142-I144 WeakPolarHBondContact CG1-O 3.41Å; I144-Y154 HydrophobicContact CD1-CD2 4.09Å; I144-Y154 HydrophobicContact CD1-CE2 4.01Å; I144-Y154 HydrophobicContact CG1-CE2 4.17Å; I144-F187 HydrophobicContact CD1-CD2 3.62Å; I144-F187 HydrophobicContact CD1-CE2 3.65Å; I144-F187 HydrophobicContact CG1-CE2 4.21Å; I144-R198 HydrophobicContact CG2-CB 3.75Å; I144-R198 VanDerWaalsContact CG2-CD 3.5Å; I144-R198 HydrophobicContact CG2-CG 3.48Å; I144-R198 VanDerWaalsContact CG2-CG 3.48Å; I144-T201 CarbonylContact O-C 3.47Å; I144-T201 WeakPolarHBondContact O-CA 3.34Å; I144-T201 VanDerWaalsContact O-CG2 3.28Å; I144-T201 WeakPolarHBondContact O-CG2 3.21Å; I144-I202 HydrophobicContact CB-CB 4.21Å; I144-I202 HydrophobicContact CB-CG1 4.31Å; I144-I202 HydrophobicContact CD1-CD1 4.02Å; I144-I202 PolarHBondContact O-N 2.98Å
145	K	89.3	Confident	89.3	Confident	66 Å²	66	66.9 Å²	66.9	29%	0.287	31%	0.312	S	S	.	.			trans	-105.1	134.4	169.6	-177.4	163.7	179.3	154.2	0	109.9	Q148 E167 D168 R198	K145-Q148 HydrophobicContact CB-CG 4.15Å; K145-Q148 WeakPolarHBondContact O-CB 3.36Å; K145-Q148 PolarHBondContact O-N 3.45Å; K145-E167 WeakPolarHBondContact CD-O 3.3Å; K145-E167 WeakPolarHBondContact CE-O 3.18Å; K145-E167 WeakPolarHBondContact CG-O 3.46Å; K145-E167 PolarHBondContact NZ-O 3.35Å; K145-D168 IonicContact NZ-OD1 3.27Å; K145-D168 PolarHBondContact NZ-OD1 3.37Å; K145-R198 WeakPolarHBondContact O-CB 3.45Å
146	K	88.7	Confident	89.3	Confident	78 Å²	78	64.6 Å²	64.6	34%	0.339	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	141.4	174	-178.8	175.4	173.7	-175.8	0	110.6	Q148 N165 R198 R199 T201	K146-Q148 VanDerWaalsContact C-N 3.27Å; K146-Q148 PolarHBondContact O-N 2.94Å; K146-N165 WeakPolarHBondContact CD-O 3.42Å; K146-N165 PolarHBondContact NZ-O 2.88Å; K146-R198 WeakPolarHBondContact CA-O 3.28Å; K146-R199 WeakPolarHBondContact CD-O 3.48Å; K146-T201 WeakPolarHBondContact CB-OG1 3.49Å; K146-T201 PolarHBondContact N-OG1 3.26Å
147	G	85.2	Confident	89.3	Confident	42 Å²	42	60.1 Å²	60.1	43%	0.433	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	-8.6	179.1	0	0	0	0	0	115.4	R198	G147-R198 PolarHBondContact N-O 3.24Å
148	Q	84.9	Confident	89.2	Confident	108 Å²	108	59.4 Å²	59.4	51%	0.505	28%	0.283	S	S	.	.	S	Bend	trans	-78.5	158.9	173.2	-67.1	-174.5	-18.5	0	0	111.6	K145 K146 L197 R198	K145-Q148 HydrophobicContact CB-CG 4.15Å; K145-Q148 WeakPolarHBondContact O-CB 3.36Å; K145-Q148 PolarHBondContact O-N 3.45Å; K146-Q148 VanDerWaalsContact C-N 3.27Å; K146-Q148 PolarHBondContact O-N 2.94Å; Q148-L197 CarbonylContact O-C 3.52Å; Q148-L197 WeakPolarHBondContact O-CA 3.46Å; Q148-R198 VanDerWaalsContact O-CG 3.24Å; Q148-R198 WeakPolarHBondContact O-CG 3.36Å; Q148-R198 PolarHBondContact O-N 3.04Å
149	K	82.6	Confident	89.2	Confident	162 Å²	162	58 Å²	58	70%	0.704	27%	0.267	S	S	*	.	B	Isolated β-bridge	trans	-74.6	127.8	172.2	-73.3	-176.9	177.6	-179.3	0	110.1	N151 L197	K149-N151 PolarHBondContact O-N 3.46Å; K149-L197 HydrophobicContact CG-CD2 3.86Å
150	G	75.6	Confident	89.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.243	C	C	.	.			trans	-82.9	109.1	178.8	0	0	0	0	0	112.8	S196	G150-S196 PolarHBondContact N-O 3.3Å
151	N	84.8	Confident	89.6	Confident	90 Å²	90	43.1 Å²	43.1	48%	0.481	21%	0.213	S	C	.	.			trans	-108	-2.4	178.3	-69.4	-5.4	0	0	0	114.2	K149 R215	K149-N151 PolarHBondContact O-N 3.46Å; N151-R215 WeakPolarHBondContact O-CB 3.38Å; N151-R215 PolarHBondContact O-N 2.92Å
152	S	89.4	Confident	89.7	Confident	14 Å²	14	35.8 Å²	35.8	10%	0.098	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	159	-178.6	-42.6	0	0	0	0	110.7	R198 V213 D214	S152-R198 PolarHBondContact O-NH1 2.99Å; S152-R198 PolarHBondContact O-NH2 3.31Å; S152-V213 CarbonylContact C-O 3.57Å; S152-V213 WeakPolarHBondContact CA-O 3.37Å; S152-V213 WeakPolarHBondContact CB-O 3.43Å; S152-D214 WeakPolarHBondContact CB-OD1 3.35Å; S152-D214 PolarHBondContact OG-OD1 3.38Å
153	F	91.1	Very high	89.8	Confident	6 Å²	6	35 Å²	35	3%	0.026	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	157	170.9	82.3	-74.2	0	0	0	110.1	L128 F155 F187 E189 I192 V212 V213 F218	L128-F153 HydrophobicContact CD2-CE1 4.41Å; L128-F153 HydrophobicContact CD2-CZ 3.79Å; F153-F155 HydrophobicContact CD2-CD2 4.49Å; F153-F155 AromaticContact CD2-CE2 3.9Å; F153-F155 HydrophobicContact CD2-CE2 3.9Å; F153-F155 HydrophobicContact CD2-CZ 4.38Å; F153-F155 HydrophobicContact CE2-CD2 4.13Å; F153-F155 AromaticContact CE2-CE2 3.17Å; F153-F155 HydrophobicContact CE2-CE2 3.17Å; F153-F155 AromaticContact CE2-CZ 3.47Å; F153-F155 HydrophobicContact CE2-CZ 3.47Å; F153-F155 VanDerWaalsContact CE2-CZ 3.47Å; F153-F155 AromaticContact CZ-CE2 3.72Å; F153-F155 HydrophobicContact CZ-CE2 3.72Å; F153-F155 HydrophobicContact CZ-CZ 4.14Å; F153-F187 WeakPolarHBondContact CB-O 3.35Å; F153-E189 HydrophobicContact CD2-CB 4.48Å; F153-I192 HydrophobicContact CB-CD1 3.6Å; F153-I192 HydrophobicContact CB-CG1 4.45Å; F153-I192 HydrophobicContact CD1-CD1 3.08Å; F153-I192 HydrophobicContact CD1-CG1 4.48Å; F153-I192 HydrophobicContact CE1-CD1 3.93Å; F153-I192 HydrophobicContact CG-CD1 3.71Å; F153-V212 WeakPolarHBondContact O-CA 3.49Å; F153-V213 HydrophobicContact CD1-CB 3.55Å; F153-V213 HydrophobicContact CD1-CG1 4.07Å; F153-V213 HydrophobicContact CD1-CG2 4.36Å; F153-V213 HydrophobicContact CE1-CB 3.29Å; F153-V213 HydrophobicContact CE1-CG1 3.52Å; F153-V213 HydrophobicContact CE1-CG2 3.82Å; F153-V213 HydrophobicContact CZ-CB 4.08Å; F153-V213 HydrophobicContact CZ-CG1 4.44Å; F153-V213 HydrophobicContact CZ-CG2 4.11Å; F153-V213 PolarHBondContact N-O 3.1Å; F153-V213 PolarHBondContact O-N 3.44Å; F153-F218 HydrophobicContact CE1-CD2 4.28Å
154	Y	92.9	Very high	89.7	Confident	22 Å²	22	34.2 Å²	34.2	9%	0.086	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	136.6	-161.8	-58.4	-100.6	0	0	0	110.3	I143 I144 C186 F187 F210 L211 V212	I143-Y154 HydrophobicContact CG2-CD1 4.08Å; I143-Y154 HydrophobicContact CG2-CE1 3.75Å; I143-Y154 HydrophobicContact CG2-CE2 4.22Å; I143-Y154 HydrophobicContact CG2-CG 4.48Å; I144-Y154 HydrophobicContact CD1-CD2 4.09Å; I144-Y154 HydrophobicContact CD1-CE2 4.01Å; I144-Y154 HydrophobicContact CG1-CE2 4.17Å; Y154-C186 CarbonylContact O-C 3.57Å; Y154-C186 VanDerWaalsContact O-CA 3.25Å; Y154-C186 WeakPolarHBondContact O-CA 3.33Å; Y154-F187 VanDerWaalsContact CB-CE2 3.49Å; Y154-F187 VanDerWaalsContact CB-CZ 3.45Å; Y154-F187 AromaticContact CD2-CD2 3.99Å; Y154-F187 HydrophobicContact CD2-CD2 3.99Å; Y154-F187 AromaticContact CD2-CE2 3.46Å; Y154-F187 HydrophobicContact CD2-CE2 3.46Å; Y154-F187 VanDerWaalsContact CD2-CE2 3.46Å; Y154-F187 HydrophobicContact CD2-CZ 4.21Å; Y154-F187 HydrophobicContact CE2-CE2 4.37Å; Y154-F187 HydrophobicContact CG-CD2 4.34Å; Y154-F187 AromaticContact CG-CE2 3.59Å; Y154-F187 HydrophobicContact CG-CE2 3.59Å; Y154-F187 AromaticContact CG-CZ 3.86Å; Y154-F187 HydrophobicContact CG-CZ 3.86Å; Y154-F187 PolarHBondContact N-O 3.38Å; Y154-F187 PolarHBondContact O-N 2.66Å; Y154-F210 HydrophobicContact CD1-CB 4.16Å; Y154-F210 HydrophobicContact CD1-CG 4.34Å; Y154-L211 CarbonylContact C-O 3.56Å; Y154-L211 WeakPolarHBondContact CA-O 3.45Å; Y154-V212 HydrophobicContact CD1-CB 4.19Å; Y154-V212 HydrophobicContact CD1-CG1 3.88Å; Y154-V212 HydrophobicContact CD1-CG2 3.47Å; Y154-V212 VanDerWaalsContact CD1-CG2 3.47Å; Y154-V212 HydrophobicContact CE1-CB 4.17Å; Y154-V212 HydrophobicContact CE1-CG1 3.55Å; Y154-V212 HydrophobicContact CE1-CG2 3.54Å; Y154-V212 HydrophobicContact CG-CG1 4.48Å
155	F	94.5	Very high	89.4	Confident	1 Å²	1	39 Å²	39	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	139	164.2	-63.6	-98.7	0	0	0	109.4	L114 Y120 M132 F153 C186 F210 L211	L114-F155 HydrophobicContact CD1-CB 4.23Å; Y120-F155 HydrophobicContact CD2-CZ 4.45Å; Y120-F155 AromaticContact CE2-CE1 3.84Å; Y120-F155 HydrophobicContact CE2-CE1 3.84Å; Y120-F155 AromaticContact CE2-CZ 3.68Å; Y120-F155 HydrophobicContact CE2-CZ 3.68Å; M132-F155 HydrophobicContact CE-CD2 3.53Å; M132-F155 HydrophobicContact CE-CE2 3.24Å; M132-F155 HydrophobicContact CE-CG 4.33Å; M132-F155 HydrophobicContact CE-CZ 3.85Å; F153-F155 HydrophobicContact CD2-CD2 4.49Å; F153-F155 AromaticContact CD2-CE2 3.9Å; F153-F155 HydrophobicContact CD2-CE2 3.9Å; F153-F155 HydrophobicContact CD2-CZ 4.38Å; F153-F155 HydrophobicContact CE2-CD2 4.13Å; F153-F155 AromaticContact CE2-CE2 3.17Å; F153-F155 HydrophobicContact CE2-CE2 3.17Å; F153-F155 AromaticContact CE2-CZ 3.47Å; F153-F155 HydrophobicContact CE2-CZ 3.47Å; F153-F155 VanDerWaalsContact CE2-CZ 3.47Å; F153-F155 AromaticContact CZ-CE2 3.72Å; F153-F155 HydrophobicContact CZ-CE2 3.72Å; F153-F155 HydrophobicContact CZ-CZ 4.14Å; F155-C186 HydrophobicContact CD1-CB 3.65Å; F155-C186 HydrophobicContact CE1-CB 3.84Å; F155-C186 HydrophobicContact CG-CB 4.19Å; F155-F210 VanDerWaalsContact O-CA 3.24Å; F155-F210 WeakPolarHBondContact O-CA 3.38Å; F155-L211 HydrophobicContact CB-CB 4.17Å; F155-L211 HydrophobicContact CB-CD1 4.47Å; F155-L211 PolarHBondContact N-O 2.74Å; F155-L211 PolarHBondContact O-N 3.3Å
156	I	94.6	Very high	89.2	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	107.3	178.1	-50.7	-178.7	0	0	0	108.5	G159 V161 L181 G184 S185 F187 F210	I156-G159 WeakPolarHBondContact CG2-O 3.44Å; I156-V161 HydrophobicContact CD1-CG1 4.38Å; I156-V161 HydrophobicContact CD1-CG2 3.56Å; I156-L181 HydrophobicContact CD1-CB 3.74Å; I156-G184 PolarHBondContact O-N 2.88Å; I156-S185 PolarHBondContact N-O 3.04Å; I156-F187 HydrophobicContact CD1-CD1 4.15Å; I156-F187 HydrophobicContact CD1-CE1 3.92Å; I156-F187 HydrophobicContact CG1-CD1 4.19Å; I156-F187 HydrophobicContact CG1-CE1 3.78Å; I156-F210 HydrophobicContact CG1-CD1 4.22Å; I156-F210 HydrophobicContact CG1-CE1 3.97Å
157	Y	92.8	Very high	88.7	Confident	16 Å²	16	40.7 Å²	40.7	6%	0.063	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-40.2	176	-171.9	-91.3	0	0	0	112	G82 F84 I110 L114 K183 E209 L211	G82-Y157 VanDerWaalsContact O-CE1 3.3Å; G82-Y157 WeakPolarHBondContact O-CE1 3.23Å; F84-Y157 HydrophobicContact CB-CD1 3.9Å; F84-Y157 HydrophobicContact CB-CE1 3.94Å; F84-Y157 AromaticContact CD2-CD1 3.89Å; F84-Y157 HydrophobicContact CD2-CD1 3.89Å; F84-Y157 AromaticContact CD2-CD2 3.65Å; F84-Y157 HydrophobicContact CD2-CD2 3.65Å; F84-Y157 AromaticContact CD2-CE1 3.76Å; F84-Y157 HydrophobicContact CD2-CE1 3.76Å; F84-Y157 AromaticContact CD2-CE2 3.5Å; F84-Y157 HydrophobicContact CD2-CE2 3.5Å; F84-Y157 AromaticContact CD2-CG 3.85Å; F84-Y157 HydrophobicContact CD2-CG 3.85Å; F84-Y157 AromaticContact CD2-CZ 3.56Å; F84-Y157 HydrophobicContact CE2-CD2 4.05Å; F84-Y157 AromaticContact CE2-CE2 3.87Å; F84-Y157 HydrophobicContact CE2-CE2 3.87Å; F84-Y157 HydrophobicContact CG-CD1 4.38Å; F84-Y157 HydrophobicContact CG-CE1 4.37Å; I110-Y157 HydrophobicContact CG2-CE2 4.43Å; L114-Y157 HydrophobicContact CD1-CD2 4.17Å; L114-Y157 HydrophobicContact CD2-CD2 3.93Å; L114-Y157 HydrophobicContact CG-CD2 4.26Å; Y157-K183 WeakPolarHBondContact O-CD 3.19Å; Y157-K183 WeakPolarHBondContact O-CE 3.29Å; Y157-K183 WeakPolarHBondContact O-CG 3.49Å; Y157-E209 PolarHBondContact N-O 3.37Å; Y157-L211 HydrophobicContact CD2-CD1 4.42Å
158	L	92.4	Very high	88.3	Confident	35 Å²	35	44 Å²	44	18%	0.183	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	143.6	177.3	-174.7	81.9	0	0	0	109.6	G82 H83 T208 E209	G82-L158 WeakPolarHBondContact O-CD1 3.18Å; H83-L158 WeakPolarHBondContact CE1-CD2 3.42Å; H83-L158 WeakPolarHBondContact ND1-CD2 3.5Å; L158-T208 VanDerWaalsContact O-CA 3.28Å; L158-T208 WeakPolarHBondContact O-CA 3.41Å; L158-E209 HydrophobicContact CB-CB 4Å; L158-E209 HydrophobicContact CB-CG 4.2Å; L158-E209 HydrophobicContact CD2-CG 4.3Å; L158-E209 PolarHBondContact N-O 3.05Å; L158-E209 PolarHBondContact O-N 3.11Å
159	G	91.1	Very high	88	Confident	8 Å²	8	39.1 Å²	39.1	8%	0.082	20%	0.199	C	C	.	.	S	Bend	trans	93.6	-173.1	171.5	0	0	0	0	0	114.7	I156 K183 E206	I156-G159 WeakPolarHBondContact CG2-O 3.44Å; G159-K183 PolarHBondContact O-N 3.39Å; G159-E206 WeakPolarHBondContact CA-OE1 3.49Å
160	T	93.9	Very high	87.8	Confident	13 Å²	13	34.6 Å²	34.6	8%	0.08	19%	0.188	C	C	.	.			trans	-126.3	136.5	-172.9	-55.3	0	0	0	0	111.1	L180 L181 Q182 M205 E206 T208	T160-L180 HydrophobicContact CG2-CB 4.09Å; T160-L180 HydrophobicContact CG2-CD1 4.22Å; T160-L180 HydrophobicContact CG2-CD2 4.05Å; T160-L180 HydrophobicContact CG2-CG 4.34Å; T160-L181 WeakPolarHBondContact CA-O 3.46Å; T160-Q182 VanDerWaalsContact OG1-CD 3.29Å; T160-Q182 PolarHBondContact OG1-NE2 3.34Å; T160-Q182 PolarHBondContact OG1-OE1 3.44Å; T160-M205 HydrophobicContact CG2-CB 4.26Å; T160-M205 HydrophobicContact CG2-CG 4.36Å; T160-M205 PolarHBondContact O-N 3.03Å; T160-E206 WeakPolarHBondContact CB-OE1 3.19Å; T160-E206 PolarHBondContact N-OE1 3.18Å; T160-E206 PolarHBondContact OG1-OE1 3.05Å; T160-T208 WeakPolarHBondContact O-CG2 3.4Å
161	V	94.4	Very high	88.1	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	150.7	170.5	-54.9	0	0	0	0	111.2	I156 L180 L181 F187 I202 V203 T208 F210	I156-V161 HydrophobicContact CD1-CG1 4.38Å; I156-V161 HydrophobicContact CD1-CG2 3.56Å; V161-L180 CarbonylContact O-C 3.55Å; V161-L180 WeakPolarHBondContact O-CA 3.09Å; V161-L181 HydrophobicContact CG2-CB 3.71Å; V161-L181 HydrophobicContact CG2-CD1 4.27Å; V161-L181 HydrophobicContact CG2-CG 4.38Å; V161-L181 PolarHBondContact N-O 2.96Å; V161-L181 PolarHBondContact O-N 3.37Å; V161-F187 HydrophobicContact CG2-CE1 4.11Å; V161-I202 HydrophobicContact CB-CG2 3.81Å; V161-I202 HydrophobicContact CG1-CG2 4.39Å; V161-I202 HydrophobicContact CG2-CG2 3.78Å; V161-V203 CarbonylContact C-O 3.57Å; V161-V203 VanDerWaalsContact CA-O 3.29Å; V161-V203 WeakPolarHBondContact CA-O 3.3Å; V161-V203 WeakPolarHBondContact CB-O 3.11Å; V161-T208 HydrophobicContact CG1-CG2 4.09Å; V161-F210 HydrophobicContact CG1-CE1 3.78Å; V161-F210 HydrophobicContact CG1-CZ 3.53Å
162	A	93.3	Very high	87.9	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	139.9	172.5	0	0	0	0	0	110.4	A172 P178 L180 I202 V203 M205	A162-A172 HydrophobicContact CB-CB 3.78Å; A162-P178 HydrophobicContact CB-CB 4.47Å; A162-L180 HydrophobicContact CB-CD2 3.78Å; A162-I202 WeakPolarHBondContact O-CA 3.42Å; A162-V203 PolarHBondContact N-O 3.04Å; A162-V203 PolarHBondContact O-N 3.38Å; A162-M205 HydrophobicContact CB-CG 3.81Å; A162-M205 HydrophobicContact CB-SD 3.62Å
163	I	92.1	Very high	87.6	Confident	41 Å²	41	35 Å²	35	21%	0.21	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	128.1	171.3	-57.5	163.5	0	0	0	108.4	K179 L181	I163-K179 HydrophobicContact CD1-CD 4.3Å; I163-K179 HydrophobicContact CD1-CG 4.37Å; I163-K179 PolarHBondContact N-O 2.65Å; I163-L181 HydrophobicContact CD1-CD1 3.76Å; I163-L181 HydrophobicContact CD1-CD2 3.99Å; I163-L181 HydrophobicContact CD1-CG 3.66Å; I163-L181 HydrophobicContact CG1-CD1 4.13Å; I163-L181 HydrophobicContact CG1-CG 4.13Å
164	T	89.3	Confident	87.3	Confident	10 Å²	10	41.2 Å²	41.2	6%	0.061	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	148.5	177.2	62.1	0	0	0	0	111.3	D166 A172 S200 T201	T164-D166 VanDerWaalsContact C-N 3.32Å; T164-A172 VanDerWaalsContact CG2-CA 3.49Å; T164-A172 HydrophobicContact CG2-CB 3.55Å; T164-A172 VanDerWaalsContact CG2-N 3.3Å; T164-S200 WeakPolarHBondContact O-CB 3.2Å; T164-T201 PolarHBondContact N-O 3.08Å; T164-T201 PolarHBondContact O-N 3.21Å; T164-T201 WeakPolarHBondContact OG1-CB 3.17Å; T164-T201 PolarHBondContact OG1-O 3.26Å
165	N	84.1	Confident	86.7	Confident	106 Å²	106	43.9 Å²	43.9	57%	0.567	24%	0.238	S	C	*	.	S	Bend	trans	-87.9	-5.9	174.4	-69.7	-28.8	0	0	0	113.6	K146 S200	K146-N165 WeakPolarHBondContact CD-O 3.42Å; K146-N165 PolarHBondContact NZ-O 2.88Å; N165-S200 PolarHBondContact OD1-OG 3.14Å
166	D	84.5	Confident	86	Confident	64 Å²	64	49 Å²	49	34%	0.342	27%	0.27	S	S	.	.	S	Bend	trans	-74.1	153.2	177	-67.9	13.4	0	0	0	112.3	T164 S171 T201	T164-D166 VanDerWaalsContact C-N 3.32Å; D166-S171 WeakPolarHBondContact OD2-CB 3.25Å; D166-S171 PolarHBondContact OD2-N 3.27Å; D166-S171 PolarHBondContact OD2-OG 2.93Å; D166-T201 WeakPolarHBondContact O-CB 3.45Å; D166-T201 PolarHBondContact O-OG1 2.84Å
167	E	79.1	Confident	85.2	Confident	117 Å²	117	56.6 Å²	56.6	55%	0.547	31%	0.306	S	S	.	.	S	Bend	trans	-74.3	-33.8	176.4	-62.5	-152.6	164	0	0	113.3	K145	K145-E167 WeakPolarHBondContact CD-O 3.3Å; K145-E167 WeakPolarHBondContact CE-O 3.18Å; K145-E167 WeakPolarHBondContact CG-O 3.46Å; K145-E167 PolarHBondContact NZ-O 3.35Å
168	D	77.3	Confident	84.8	Confident	112 Å²	112	57.4 Å²	57.4	60%	0.599	31%	0.313	S	S	*	.	S	Bend	trans	-97.8	-8.7	-172.8	-62	-33.4	0	0	0	113.7	K145 S170	K145-D168 IonicContact NZ-OD1 3.27Å; K145-D168 PolarHBondContact NZ-OD1 3.37Å; D168-S170 PolarHBondContact O-N 3.17Å
169	G	77.9	Confident	84.6	Confident	4 Å²	4	62.3 Å²	62.3	4%	0.041	33%	0.333	C	S	.	.			trans	76.8	3.2	178.1	0	0	0	0	0	115	S171 A172	G169-S171 VanDerWaalsContact C-N 3.32Å; G169-S171 PolarHBondContact O-N 3.33Å; G169-A172 WeakPolarHBondContact O-CB 3.42Å; G169-A172 PolarHBondContact O-N 3.36Å; G169-A172 VanDerWaalsContact O-N 3.13Å
170	S	78.8	Confident	84.6	Confident	68 Å²	68	65.7 Å²	65.7	48%	0.476	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-36.4	-179.1	-58.8	0	0	0	0	113.3	D168 A172 F173	D168-S170 PolarHBondContact O-N 3.17Å; S170-A172 PolarHBondContact O-N 2.93Å; S170-A172 VanDerWaalsContact O-N 3.08Å; S170-F173 PolarHBondContact O-N 2.9Å
171	S	81.8	Confident	84.5	Confident	38 Å²	38	66.7 Å²	66.7	27%	0.266	35%	0.353	S	S	.	.	H	α-helix	trans	-61.9	-16.8	177	-73	0	0	0	0	114.3	D166 G169 F173 L174 D175	D166-S171 WeakPolarHBondContact OD2-CB 3.25Å; D166-S171 PolarHBondContact OD2-N 3.27Å; D166-S171 PolarHBondContact OD2-OG 2.93Å; G169-S171 VanDerWaalsContact C-N 3.32Å; G169-S171 PolarHBondContact O-N 3.33Å; S171-F173 PolarHBondContact O-N 3.25Å; S171-F173 VanDerWaalsContact O-N 3.12Å; S171-L174 PolarHBondContact O-N 3.44Å; S171-D175 VanDerWaalsContact O-CB 3.23Å; S171-D175 WeakPolarHBondContact O-CB 3.42Å; S171-D175 PolarHBondContact O-N 3Å
172	A	80.9	Confident	84.4	Confident	2 Å²	2	71 Å²	71	2%	0.017	37%	0.373	C	S	.	.	H	α-helix	trans	-58.2	-29.1	175.9	0	0	0	0	0	112.5	A162 T164 G169 S170 V203 M205	A162-A172 HydrophobicContact CB-CB 3.78Å; T164-A172 VanDerWaalsContact CG2-CA 3.49Å; T164-A172 HydrophobicContact CG2-CB 3.55Å; T164-A172 VanDerWaalsContact CG2-N 3.3Å; G169-A172 WeakPolarHBondContact O-CB 3.42Å; G169-A172 PolarHBondContact O-N 3.36Å; G169-A172 VanDerWaalsContact O-N 3.13Å; S170-A172 PolarHBondContact O-N 2.93Å; S170-A172 VanDerWaalsContact O-N 3.08Å; A172-V203 HydrophobicContact CB-CB 4.15Å; A172-V203 HydrophobicContact CB-CG2 4.25Å; A172-M205 HydrophobicContact CB-SD 4.23Å; A172-M205 WeakPolarHBondContact O-CE 3.39Å
173	F	83.3	Confident	84.3	Confident	71 Å²	71	74.9 Å²	74.9	31%	0.311	39%	0.39	S	S	.	.	H	α-helix	trans	-110.6	-9.2	-177.7	-60.5	-79.1	0	0	0	113.6	R140 S170 S171 V203 M205	R140-F173 HydrophobicContact CB-CE2 4.4Å; R140-F173 HydrophobicContact CB-CZ 4.32Å; R140-F173 HydrophobicContact CG-CE1 4.19Å; R140-F173 HydrophobicContact CG-CE2 3.73Å; R140-F173 HydrophobicContact CG-CZ 3.49Å; R140-F173 VanDerWaalsContact CG-CZ 3.49Å; S170-F173 PolarHBondContact O-N 2.9Å; S171-F173 PolarHBondContact O-N 3.25Å; S171-F173 VanDerWaalsContact O-N 3.12Å; F173-V203 HydrophobicContact CE2-CG1 3.88Å; F173-V203 HydrophobicContact CZ-CG1 4.3Å; F173-M205 HydrophobicContact CD1-CE 3.66Å; F173-M205 HydrophobicContact CD1-SD 4.02Å; F173-M205 HydrophobicContact CE1-CE 3.55Å; F173-M205 HydrophobicContact CE1-SD 3.44Å; F173-M205 WeakPolarHBondContact CE1-SD 3.5Å; F173-M205 HydrophobicContact CE2-SD 4.34Å; F173-M205 HydrophobicContact CZ-CE 4.33Å; F173-M205 HydrophobicContact CZ-SD 3.61Å
174	L	83.3	Confident	84.1	Confident	137 Å²	137	73.2 Å²	73.2	72%	0.717	38%	0.383	S	S	*	.	H	α-helix	trans	-101.2	-28.2	-179.4	-62.3	173.6	0	0	0	112.3	S171	S171-L174 PolarHBondContact O-N 3.44Å
175	D	82.1	Confident	84.2	Confident	79 Å²	79	74.2 Å²	74.2	42%	0.422	39%	0.391	S	S	.	.			trans	-67.3	128.4	175.5	-169.4	-19.9	0	0	0	109.8	S171 H177 P178	S171-D175 VanDerWaalsContact O-CB 3.23Å; S171-D175 WeakPolarHBondContact O-CB 3.42Å; S171-D175 PolarHBondContact O-N 3Å; D175-H177 PolarHBondContact O-N 3.45Å; D175-H177 PolarHBondContact OD1-N 3.23Å; D175-P178 HydrophobicContact CB-CB 4.48Å; D175-P178 WeakPolarHBondContact O-CD 3.22Å
176	P	78.1	Confident	84.5	Confident	107 Å²	107	70.5 Å²	70.5	70%	0.695	37%	0.373	S	S	*	.	S	Bend	trans	-64.2	-22.1	173.4	24.1	-33.1	0	0	0	113.5
177	H	79.9	Confident	84.7	Confident	161 Å²	161	68.2 Å²	68.2	75%	0.745	36%	0.36	S	S	*	.	S	Bend	trans	-135.9	65.7	-179.1	-58	98.3	0	0	0	112.2	D175	D175-H177 PolarHBondContact O-N 3.45Å; D175-H177 PolarHBondContact OD1-N 3.23Å
178	P	84.4	Confident	84.9	Confident	33 Å²	33	63.4 Å²	63.4	21%	0.214	34%	0.342	C	S	.	.			trans	-65.7	145.4	-178.6	29.5	-33.7	0	0	0	110.6	A162 D175 L180	A162-P178 HydrophobicContact CB-CB 4.47Å; D175-P178 HydrophobicContact CB-CB 4.48Å; D175-P178 WeakPolarHBondContact O-CD 3.22Å; P178-L180 HydrophobicContact CB-CD2 4.28Å; P178-L180 HydrophobicContact CG-CD2 4.03Å; P178-L180 HydrophobicContact CG-CG 4.35Å; P178-L180 PolarHBondContact O-N 2.98Å; P178-L180 VanDerWaalsContact O-N 3.14Å
179	K	87.4	Confident	85.1	Confident	137 Å²	137	60.6 Å²	60.6	60%	0.596	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	104.8	174.4	-169.5	174.7	-174.1	168.3	0	109.9	I163	I163-K179 HydrophobicContact CD1-CD 4.3Å; I163-K179 HydrophobicContact CD1-CG 4.37Å; I163-K179 PolarHBondContact N-O 2.65Å
180	L	91.9	Very high	84.9	Confident	79 Å²	79	63.5 Å²	63.5	41%	0.414	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	140.7	-176.7	-58.6	178.2	0	0	0	112.2	T160 V161 A162 P178 M205	T160-L180 HydrophobicContact CG2-CB 4.09Å; T160-L180 HydrophobicContact CG2-CD1 4.22Å; T160-L180 HydrophobicContact CG2-CD2 4.05Å; T160-L180 HydrophobicContact CG2-CG 4.34Å; V161-L180 CarbonylContact O-C 3.55Å; V161-L180 WeakPolarHBondContact O-CA 3.09Å; A162-L180 HydrophobicContact CB-CD2 3.78Å; P178-L180 HydrophobicContact CB-CD2 4.28Å; P178-L180 HydrophobicContact CG-CD2 4.03Å; P178-L180 HydrophobicContact CG-CG 4.35Å; P178-L180 PolarHBondContact O-N 2.98Å; P178-L180 VanDerWaalsContact O-N 3.14Å; L180-M205 HydrophobicContact CD2-CG 3.97Å
181	L	91.9	Very high	84.6	Confident	34 Å²	34	61 Å²	61	18%	0.178	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	139.1	163.5	-60.6	179.7	0	0	0	109.3	I156 T160 V161 I163 F187	I156-L181 HydrophobicContact CD1-CB 3.74Å; T160-L181 WeakPolarHBondContact CA-O 3.46Å; V161-L181 HydrophobicContact CG2-CB 3.71Å; V161-L181 HydrophobicContact CG2-CD1 4.27Å; V161-L181 HydrophobicContact CG2-CG 4.38Å; V161-L181 PolarHBondContact N-O 2.96Å; V161-L181 PolarHBondContact O-N 3.37Å; I163-L181 HydrophobicContact CD1-CD1 3.76Å; I163-L181 HydrophobicContact CD1-CD2 3.99Å; I163-L181 HydrophobicContact CD1-CG 3.66Å; I163-L181 HydrophobicContact CG1-CD1 4.13Å; I163-L181 HydrophobicContact CG1-CG 4.13Å; L181-F187 HydrophobicContact CD1-CB 4.09Å; L181-F187 HydrophobicContact CD1-CD1 3.94Å; L181-F187 HydrophobicContact CD1-CG 4.4Å
182	Q	91.9	Very high	84.3	Confident	90 Å²	90	59.3 Å²	59.3	42%	0.421	31%	0.311	S	S	.	.			trans	-114.9	170.8	-173.6	-68.2	-67.7	-22.8	0	0	110.9	T160 G184 S185	T160-Q182 VanDerWaalsContact OG1-CD 3.29Å; T160-Q182 PolarHBondContact OG1-NE2 3.34Å; T160-Q182 PolarHBondContact OG1-OE1 3.44Å; Q182-G184 PolarHBondContact O-N 3.3Å; Q182-S185 WeakPolarHBondContact O-CB 3.2Å; Q182-S185 PolarHBondContact O-N 2.84Å; Q182-S185 PolarHBondContact O-OG 3.47Å
183	K	90.9	Very high	83.9	Confident	83 Å²	83	62.5 Å²	62.5	36%	0.361	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-40	134.8	169.1	171.6	169.5	-174.1	163	0	111.9	Y157 G159 S185	Y157-K183 WeakPolarHBondContact O-CD 3.19Å; Y157-K183 WeakPolarHBondContact O-CE 3.29Å; Y157-K183 WeakPolarHBondContact O-CG 3.49Å; G159-K183 PolarHBondContact O-N 3.39Å; K183-S185 VanDerWaalsContact C-N 3.33Å
184	G	88.4	Confident	83.1	Confident	5 Å²	5	64.8 Å²	64.8	5%	0.052	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	-10.2	-178.5	0	0	0	0	0	114.4	S116 I156 Q182	S116-G184 WeakPolarHBondContact CB-O 3.44Å; S116-G184 PolarHBondContact N-O 3.21Å; S116-G184 PolarHBondContact OG-O 3.44Å; I156-G184 PolarHBondContact O-N 2.88Å; Q182-G184 PolarHBondContact O-N 3.3Å
185	S	90.4	Very high	82.5	Confident	32 Å²	32	60.9 Å²	60.9	22%	0.224	33%	0.326	C	S	.	.			trans	-83.9	156.5	174.7	-51.5	0	0	0	0	112.2	S116 I156 Q182 K183	S116-S185 WeakPolarHBondContact OG-CA 3.49Å; I156-S185 PolarHBondContact N-O 3.04Å; Q182-S185 WeakPolarHBondContact O-CB 3.2Å; Q182-S185 PolarHBondContact O-N 2.84Å; Q182-S185 PolarHBondContact O-OG 3.47Å; K183-S185 VanDerWaalsContact C-N 3.33Å
186	C	90.6	Very high	82.2	Confident	28 Å²	28	58.5 Å²	58.5	19%	0.189	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	155.7	170.2	72.4	0	0	0	0	112.1	S116 Y154 F155	S116-C186 PolarHBondContact OG-N 3.36Å; Y154-C186 CarbonylContact O-C 3.57Å; Y154-C186 VanDerWaalsContact O-CA 3.25Å; Y154-C186 WeakPolarHBondContact O-CA 3.33Å; F155-C186 HydrophobicContact CD1-CB 3.65Å; F155-C186 HydrophobicContact CE1-CB 3.84Å; F155-C186 HydrophobicContact CG-CB 4.19Å
187	F	89.6	Confident	82.4	Confident	16 Å²	16	58.1 Å²	58.1	7%	0.07	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	157.1	176.8	59.2	-97.7	0	0	0	112.7	I143 I144 F153 Y154 I156 V161 L181 I202 F210	I143-F187 HydrophobicContact CG2-CE2 4.37Å; I143-F187 HydrophobicContact CG2-CZ 4.46Å; I144-F187 HydrophobicContact CD1-CD2 3.62Å; I144-F187 HydrophobicContact CD1-CE2 3.65Å; I144-F187 HydrophobicContact CG1-CE2 4.21Å; F153-F187 WeakPolarHBondContact CB-O 3.35Å; Y154-F187 VanDerWaalsContact CB-CE2 3.49Å; Y154-F187 VanDerWaalsContact CB-CZ 3.45Å; Y154-F187 AromaticContact CD2-CD2 3.99Å; Y154-F187 HydrophobicContact CD2-CD2 3.99Å; Y154-F187 AromaticContact CD2-CE2 3.46Å; Y154-F187 HydrophobicContact CD2-CE2 3.46Å; Y154-F187 VanDerWaalsContact CD2-CE2 3.46Å; Y154-F187 HydrophobicContact CD2-CZ 4.21Å; Y154-F187 HydrophobicContact CE2-CE2 4.37Å; Y154-F187 HydrophobicContact CG-CD2 4.34Å; Y154-F187 AromaticContact CG-CE2 3.59Å; Y154-F187 HydrophobicContact CG-CE2 3.59Å; Y154-F187 AromaticContact CG-CZ 3.86Å; Y154-F187 HydrophobicContact CG-CZ 3.86Å; Y154-F187 PolarHBondContact N-O 3.38Å; Y154-F187 PolarHBondContact O-N 2.66Å; I156-F187 HydrophobicContact CD1-CD1 4.15Å; I156-F187 HydrophobicContact CD1-CE1 3.92Å; I156-F187 HydrophobicContact CG1-CD1 4.19Å; I156-F187 HydrophobicContact CG1-CE1 3.78Å; V161-F187 HydrophobicContact CG2-CE1 4.11Å; L181-F187 HydrophobicContact CD1-CB 4.09Å; L181-F187 HydrophobicContact CD1-CD1 3.94Å; L181-F187 HydrophobicContact CD1-CG 4.4Å; F187-I202 HydrophobicContact CB-CD1 3.92Å; F187-I202 HydrophobicContact CD1-CD1 4.27Å; F187-I202 HydrophobicContact CD2-CD1 3.22Å; F187-I202 HydrophobicContact CE1-CG2 4.42Å; F187-I202 HydrophobicContact CE2-CD1 3.66Å; F187-I202 HydrophobicContact CE2-CG2 4.24Å; F187-I202 HydrophobicContact CG-CD1 3.55Å; F187-I202 HydrophobicContact CZ-CD1 4.35Å; F187-I202 HydrophobicContact CZ-CG2 4.09Å; F187-F210 HydrophobicContact CE1-CD1 4.22Å; F187-F210 AromaticContact CE1-CE1 3.78Å; F187-F210 HydrophobicContact CE1-CE1 3.78Å; F187-F210 HydrophobicContact CZ-CD1 4.12Å; F187-F210 AromaticContact CZ-CE1 3.73Å; F187-F210 HydrophobicContact CZ-CE1 3.73Å; F187-F210 HydrophobicContact CZ-CZ 4.47Å
188	G	83	Confident	82.6	Confident	16 Å²	16	51.2 Å²	51.2	17%	0.165	28%	0.275	C	S	.	.			trans	84.7	3.1	178.8	0	0	0	0	0	115.7	T190 D191 R198	G188-T190 PolarHBondContact O-N 3.23Å; G188-D191 PolarHBondContact O-N 2.93Å; G188-R198 VanDerWaalsContact CA-NH1 3.27Å; G188-R198 PolarHBondContact O-NH1 3.22Å
189	E	80.4	Confident	82.5	Confident	53 Å²	53	57.9 Å²	57.9	25%	0.248	30%	0.296	C	S	.	.	H	α-helix	trans	-55.3	-46.9	-179.7	176.9	-178.2	-146.3	0	0	112.8	Y120 F153 D191 I192 K260	Y120-E189 PolarHBondContact OH-OE1 2.81Å; F153-E189 HydrophobicContact CD2-CB 4.48Å; E189-D191 PolarHBondContact O-N 3.19Å; E189-I192 PolarHBondContact O-N 2.97Å; E189-K260 IonicContact OE2-NZ 2.61Å; E189-K260 PolarHBondContact OE2-NZ 3.18Å
190	T	73.9	Confident	82.5	Confident	65 Å²	65	52.9 Å²	52.9	40%	0.399	28%	0.278	S	S	.	.	H	α-helix	trans	-63.6	-29.1	-175	-45.7	0	0	0	0	112.8	G188 I192	G188-T190 PolarHBondContact O-N 3.23Å; T190-I192 VanDerWaalsContact C-N 3.32Å; T190-I192 PolarHBondContact O-N 3.5Å
191	D	73	Confident	82.4	Confident	14 Å²	14	49.1 Å²	49.1	8%	0.075	26%	0.258	C	S	.	.	H	α-helix	trans	-75	-24.4	-174.7	-56.7	-47.1	0	0	0	112.7	G188 E189 A195 S196 R198 R215	G188-D191 PolarHBondContact O-N 2.93Å; E189-D191 PolarHBondContact O-N 3.19Å; D191-A195 VanDerWaalsContact O-CA 3.29Å; D191-A195 WeakPolarHBondContact O-CA 3.43Å; D191-A195 PolarHBondContact O-N 2.9Å; D191-S196 WeakPolarHBondContact CA-OG 3.48Å; D191-S196 PolarHBondContact OD1-OG 2.65Å; D191-R198 WeakPolarHBondContact OD2-CD 3.47Å; D191-R198 IonicContact OD2-CZ 3.76Å; D191-R198 IonicContact OD2-NE 2.77Å; D191-R198 IonicContact OD2-NH1 3.76Å; D191-R198 PolarHBondContact OD2-NH1 3.46Å; D191-R215 PolarHBondContact O-NH1 3.29Å
192	I	75.4	Confident	82.4	Confident	3 Å²	3	48 Å²	48	2%	0.015	25%	0.252	C	S	.	.	H	α-helix	trans	-73.6	-37.2	-179.3	-68.8	-179.3	0	0	0	111.8	F153 E189 T190 R215 F218	F153-I192 HydrophobicContact CB-CD1 3.6Å; F153-I192 HydrophobicContact CB-CG1 4.45Å; F153-I192 HydrophobicContact CD1-CD1 3.08Å; F153-I192 HydrophobicContact CD1-CG1 4.48Å; F153-I192 HydrophobicContact CE1-CD1 3.93Å; F153-I192 HydrophobicContact CG-CD1 3.71Å; E189-I192 PolarHBondContact O-N 2.97Å; T190-I192 VanDerWaalsContact C-N 3.32Å; T190-I192 PolarHBondContact O-N 3.5Å; I192-R215 HydrophobicContact CG2-CG 4.33Å; I192-R215 PolarHBondContact O-NH1 3.38Å; I192-R215 PolarHBondContact O-NH2 3.28Å; I192-R215 VanDerWaalsContact O-NH2 3.17Å; I192-F218 HydrophobicContact CG2-CB 4.26Å; I192-F218 HydrophobicContact CG2-CD1 3.75Å; I192-F218 HydrophobicContact CG2-CD2 4.27Å; I192-F218 HydrophobicContact CG2-CE1 4.13Å; I192-F218 HydrophobicContact CG2-CG 3.84Å
193	L	71.5	Confident	82.5	Confident	70 Å²	70	43.9 Å²	43.9	37%	0.366	23%	0.233	S	C	.	.	H	α-helix	trans	-72.1	-44.1	-179.7	-64.2	172.5	0	0	0	111	F218 V227	L193-F218 HydrophobicContact CD2-CE1 3.9Å; L193-F218 HydrophobicContact CD2-CZ 4.07Å; L193-V227 HydrophobicContact CD1-CG1 4.08Å; L193-V227 HydrophobicContact CD2-CG1 4.34Å
194	H	67.8	Low	82.7	Confident	118 Å²	118	39.9 Å²	39.9	55%	0.546	22%	0.216	S	C	.	.	H	α-helix	trans	-102.2	0	-170	-58.9	-67.2	0	0	0	115.3	S196	H194-S196 PolarHBondContact O-N 3.38Å; H194-S196 VanDerWaalsContact O-N 3.17Å
195	A	70.4	Confident	82.8	Confident	55 Å²	55	41.5 Å²	41.5	46%	0.455	22%	0.223	S	C	.	.			trans	52.2	34.3	-173.7	0	0	0	0	0	112.6	D191 R215	D191-A195 VanDerWaalsContact O-CA 3.29Å; D191-A195 WeakPolarHBondContact O-CA 3.43Å; D191-A195 PolarHBondContact O-N 2.9Å; A195-R215 VanDerWaalsContact CA-NH1 3.27Å
196	S	75.2	Confident	82.9	Confident	29 Å²	29	44 Å²	44	20%	0.203	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-76.7	159.8	-175.8	49.7	0	0	0	0	112.4	G150 D191 H194	G150-S196 PolarHBondContact N-O 3.3Å; D191-S196 WeakPolarHBondContact CA-OG 3.48Å; D191-S196 PolarHBondContact OD1-OG 2.65Å; H194-S196 PolarHBondContact O-N 3.38Å; H194-S196 VanDerWaalsContact O-N 3.17Å
197	L	83.3	Confident	83	Confident	100 Å²	100	47 Å²	47	52%	0.524	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-70.3	140.7	169.4	-57.2	180	0	0	0	109.9	Q148 K149 R199	Q148-L197 CarbonylContact O-C 3.52Å; Q148-L197 WeakPolarHBondContact O-CA 3.46Å; K149-L197 HydrophobicContact CG-CD2 3.86Å; L197-R199 PolarHBondContact O-N 3.35Å
198	R	83.4	Confident	83.1	Confident	16 Å²	16	46.3 Å²	46.3	6%	0.06	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-59	122.4	177	-64.7	-63	-159.1	-174.3	0.4	110	I144 K145 K146 G147 Q148 S152 G188 D191	I144-R198 HydrophobicContact CG2-CB 3.75Å; I144-R198 VanDerWaalsContact CG2-CD 3.5Å; I144-R198 HydrophobicContact CG2-CG 3.48Å; I144-R198 VanDerWaalsContact CG2-CG 3.48Å; K145-R198 WeakPolarHBondContact O-CB 3.45Å; K146-R198 WeakPolarHBondContact CA-O 3.28Å; G147-R198 PolarHBondContact N-O 3.24Å; Q148-R198 VanDerWaalsContact O-CG 3.24Å; Q148-R198 WeakPolarHBondContact O-CG 3.36Å; Q148-R198 PolarHBondContact O-N 3.04Å; S152-R198 PolarHBondContact O-NH1 2.99Å; S152-R198 PolarHBondContact O-NH2 3.31Å; G188-R198 VanDerWaalsContact CA-NH1 3.27Å; G188-R198 PolarHBondContact O-NH1 3.22Å; D191-R198 WeakPolarHBondContact OD2-CD 3.47Å; D191-R198 IonicContact OD2-CZ 3.76Å; D191-R198 IonicContact OD2-NE 2.77Å; D191-R198 IonicContact OD2-NH1 3.76Å; D191-R198 PolarHBondContact OD2-NH1 3.46Å
199	R	83.1	Confident	83.7	Confident	173 Å²	173	45.6 Å²	45.6	65%	0.653	23%	0.231	S	C	*	.	S	Bend	trans	-75.5	-28	-176.8	-65	-179.4	177	169.2	-1.5	113.6	K146 L197	K146-R199 WeakPolarHBondContact CD-O 3.48Å; L197-R199 PolarHBondContact O-N 3.35Å
200	S	86.3	Confident	84.4	Confident	31 Å²	31	43.1 Å²	43.1	22%	0.217	22%	0.22	C	C	.	.	S	Bend	trans	-143	156.9	-174.8	-55.9	0	0	0	0	110.7	T164 N165	T164-S200 WeakPolarHBondContact O-CB 3.2Å; N165-S200 PolarHBondContact OD1-OG 3.14Å
201	T	90.4	Very high	85.4	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	142.5	173.2	-62.1	0	0	0	0	109.2	V142 I144 K146 T164 D166 V203	V142-T201 HydrophobicContact CG1-CG2 3.73Å; I144-T201 CarbonylContact O-C 3.47Å; I144-T201 WeakPolarHBondContact O-CA 3.34Å; I144-T201 VanDerWaalsContact O-CG2 3.28Å; I144-T201 WeakPolarHBondContact O-CG2 3.21Å; K146-T201 WeakPolarHBondContact CB-OG1 3.49Å; K146-T201 PolarHBondContact N-OG1 3.26Å; T164-T201 PolarHBondContact N-O 3.08Å; T164-T201 PolarHBondContact O-N 3.21Å; T164-T201 WeakPolarHBondContact OG1-CB 3.17Å; T164-T201 PolarHBondContact OG1-O 3.26Å; D166-T201 WeakPolarHBondContact O-CB 3.45Å; D166-T201 PolarHBondContact O-OG1 2.84Å; T201-V203 HydrophobicContact CG2-CG2 4.15Å
202	I	92.6	Very high	86.4	Confident	11 Å²	11	39.3 Å²	39.3	6%	0.056	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.4	-178.6	-58.2	-177.7	0	0	0	109.4	I143 I144 V161 A162 F187	I143-I202 PolarHBondContact N-O 3.25Å; I144-I202 HydrophobicContact CB-CB 4.21Å; I144-I202 HydrophobicContact CB-CG1 4.31Å; I144-I202 HydrophobicContact CD1-CD1 4.02Å; I144-I202 PolarHBondContact O-N 2.98Å; V161-I202 HydrophobicContact CB-CG2 3.81Å; V161-I202 HydrophobicContact CG1-CG2 4.39Å; V161-I202 HydrophobicContact CG2-CG2 3.78Å; A162-I202 WeakPolarHBondContact O-CA 3.42Å; F187-I202 HydrophobicContact CB-CD1 3.92Å; F187-I202 HydrophobicContact CD1-CD1 4.27Å; F187-I202 HydrophobicContact CD2-CD1 3.22Å; F187-I202 HydrophobicContact CE1-CG2 4.42Å; F187-I202 HydrophobicContact CE2-CD1 3.66Å; F187-I202 HydrophobicContact CE2-CG2 4.24Å; F187-I202 HydrophobicContact CG-CD1 3.55Å; F187-I202 HydrophobicContact CZ-CD1 4.35Å; F187-I202 HydrophobicContact CZ-CG2 4.09Å
203	V	93.6	Very high	87.2	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.1	-173.6	-168.6	0	0	0	0	110.6	R141 V142 V161 A162 A172 F173 T201 M205	R141-V203 WeakPolarHBondContact O-CA 3.35Å; V142-V203 HydrophobicContact CG2-CG1 4.48Å; V142-V203 HydrophobicContact CG2-CG2 4.14Å; V161-V203 CarbonylContact C-O 3.57Å; V161-V203 VanDerWaalsContact CA-O 3.29Å; V161-V203 WeakPolarHBondContact CA-O 3.3Å; V161-V203 WeakPolarHBondContact CB-O 3.11Å; A162-V203 PolarHBondContact N-O 3.04Å; A162-V203 PolarHBondContact O-N 3.38Å; A172-V203 HydrophobicContact CB-CB 4.15Å; A172-V203 HydrophobicContact CB-CG2 4.25Å; F173-V203 HydrophobicContact CE2-CG1 3.88Å; F173-V203 HydrophobicContact CZ-CG1 4.3Å; T201-V203 HydrophobicContact CG2-CG2 4.15Å; V203-M205 PolarHBondContact O-N 3.3Å
204	C	93.8	Very high	88.1	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	124.1	177.1	-56.6	0	0	0	0	110.7	R140 R141 I143 T208	R140-C204 WeakPolarHBondContact CA-O 3.48Å; R140-C204 PolarHBondContact N-O 2.85Å; R141-C204 PolarHBondContact O-N 3.33Å; R141-C204 PolarHBondContact O-SG 2.63Å; I143-C204 VanDerWaalsContact CD1-SG 3.55Å; I143-C204 WeakPolarHBondContact CG1-SG 3.48Å; C204-T208 HydrophobicContact CB-CG2 4.29Å; C204-T208 PolarHBondContact SG-OG1 3.1Å
205	M	91.6	Very high	89.1	Confident	39 Å²	39	34.8 Å²	34.8	19%	0.192	17%	0.173	C	C	.	.	S	Bend	trans	-84.7	-25.8	178.7	-63.5	-58	-77.7	0	0	112.1	R139 T160 A162 A172 F173 L180 V203	R139-M205 WeakPolarHBondContact CD-O 3.11Å; R139-M205 WeakPolarHBondContact CG-O 3.38Å; R139-M205 PolarHBondContact NE-O 2.9Å; T160-M205 HydrophobicContact CG2-CB 4.26Å; T160-M205 HydrophobicContact CG2-CG 4.36Å; T160-M205 PolarHBondContact O-N 3.03Å; A162-M205 HydrophobicContact CB-CG 3.81Å; A162-M205 HydrophobicContact CB-SD 3.62Å; A172-M205 HydrophobicContact CB-SD 4.23Å; A172-M205 WeakPolarHBondContact O-CE 3.39Å; F173-M205 HydrophobicContact CD1-CE 3.66Å; F173-M205 HydrophobicContact CD1-SD 4.02Å; F173-M205 HydrophobicContact CE1-CE 3.55Å; F173-M205 HydrophobicContact CE1-SD 3.44Å; F173-M205 WeakPolarHBondContact CE1-SD 3.5Å; F173-M205 HydrophobicContact CE2-SD 4.34Å; F173-M205 HydrophobicContact CZ-CE 4.33Å; F173-M205 HydrophobicContact CZ-SD 3.61Å; L180-M205 HydrophobicContact CD2-CG 3.97Å; V203-M205 PolarHBondContact O-N 3.3Å
206	E	92	Very high	90	Very high	84 Å²	84	39.9 Å²	39.9	39%	0.393	19%	0.187	S	C	.	.	S	Bend	trans	-140.4	-174.1	177.3	62.2	-167.3	162.2	0	0	109.9	R139 G159 T160 T208	R139-E206 PolarHBondContact N-O 2.93Å; G159-E206 WeakPolarHBondContact CA-OE1 3.49Å; T160-E206 WeakPolarHBondContact CB-OE1 3.19Å; T160-E206 PolarHBondContact N-OE1 3.18Å; T160-E206 PolarHBondContact OG1-OE1 3.05Å; E206-T208 HydrophobicContact CG-CG2 4.32Å; E206-T208 PolarHBondContact O-N 2.7Å
207	E	91.9	Very high	90.7	Very high	92 Å²	92	40.7 Å²	40.7	43%	0.43	19%	0.19	S	C	.	.			trans	-68.4	123.8	170.1	-176.4	166.7	-145.2	0	0	109.8	R136 F137	R136-E207 HydrophobicContact CG-CG 4.45Å; R136-E207 IonicContact CZ-OE1 2.85Å; R136-E207 IonicContact CZ-OE2 3.72Å; R136-E207 VanDerWaalsContact NE-CD 3.31Å; R136-E207 IonicContact NE-OE1 2.62Å; R136-E207 PolarHBondContact NE-OE1 3.22Å; R136-E207 IonicContact NH2-OE1 3.58Å; R136-E207 PolarHBondContact NH2-OE1 3.31Å; R136-E207 IonicContact NH2-OE2 2.69Å; R136-E207 PolarHBondContact NH2-OE2 3.17Å; F137-E207 WeakPolarHBondContact O-CA 3.31Å
208	T	93.6	Very high	90.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	137.4	-168.8	45.4	0	0	0	0	110.9	R136 F137 L158 T160 V161 C204 E206 F210	R136-T208 WeakPolarHBondContact CA-O 3.24Å; F137-T208 PolarHBondContact N-O 3.27Å; F137-T208 PolarHBondContact O-N 3.46Å; F137-T208 PolarHBondContact O-OG1 3.47Å; L158-T208 VanDerWaalsContact O-CA 3.28Å; L158-T208 WeakPolarHBondContact O-CA 3.41Å; T160-T208 WeakPolarHBondContact O-CG2 3.4Å; V161-T208 HydrophobicContact CG1-CG2 4.09Å; C204-T208 HydrophobicContact CB-CG2 4.29Å; C204-T208 PolarHBondContact SG-OG1 3.1Å; E206-T208 HydrophobicContact CG-CG2 4.32Å; E206-T208 PolarHBondContact O-N 2.7Å; T208-F210 HydrophobicContact CG2-CZ 4.26Å; T208-F210 WeakPolarHBondContact OG1-CE2 3.2Å; T208-F210 WeakPolarHBondContact OG1-CZ 3.45Å
209	E	94.4	Very high	91.2	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.009	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.2	175.9	-62.8	-176.2	164.4	0	0	109	H83 F84 F134 R136 Y157 L158	H83-E209 IonicContact CE1-OE1 3.84Å; H83-E209 IonicContact CG-OE1 2.76Å; H83-E209 IonicContact ND1-OE1 3.11Å; H83-E209 PolarHBondContact ND1-OE1 2.89Å; H83-E209 IonicContact ND1-OE2 2.96Å; F84-E209 PolarHBondContact N-OE2 2.82Å; F134-E209 HydrophobicContact CE2-CB 3.86Å; F134-E209 HydrophobicContact CE2-CG 4.13Å; F134-E209 HydrophobicContact CZ-CB 4.16Å; F134-E209 HydrophobicContact CZ-CG 3.95Å; R136-E209 HydrophobicContact CB-CG 4.48Å; R136-E209 HydrophobicContact CG-CG 4.15Å; R136-E209 IonicContact CZ-OE1 3.17Å; R136-E209 IonicContact NH1-OE1 3.9Å; R136-E209 PolarHBondContact NH1-OE1 3.41Å; Y157-E209 PolarHBondContact N-O 3.37Å; L158-E209 HydrophobicContact CB-CB 4Å; L158-E209 HydrophobicContact CB-CG 4.2Å; L158-E209 HydrophobicContact CD2-CG 4.3Å; L158-E209 PolarHBondContact N-O 3.05Å; L158-E209 PolarHBondContact O-N 3.11Å
210	F	94.8	Very high	91.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	149.3	-177.7	-57.8	-80.2	0	0	0	111.9	E135 F137 I143 Y154 F155 I156 V161 F187 T208 V212	E135-F210 PolarHBondContact N-O 2.94Å; E135-F210 PolarHBondContact O-N 2.86Å; F137-F210 HydrophobicContact CB-CE2 4.33Å; F137-F210 AromaticContact CD2-CD2 3.58Å; F137-F210 HydrophobicContact CD2-CD2 3.58Å; F137-F210 AromaticContact CD2-CE2 3.67Å; F137-F210 HydrophobicContact CD2-CE2 3.67Å; F137-F210 HydrophobicContact CE2-CD2 4.18Å; F137-F210 HydrophobicContact CG-CE2 4.5Å; I143-F210 HydrophobicContact CD1-CE2 4.16Å; I143-F210 HydrophobicContact CG1-CE2 4.1Å; I143-F210 HydrophobicContact CG1-CZ 4.13Å; Y154-F210 HydrophobicContact CD1-CB 4.16Å; Y154-F210 HydrophobicContact CD1-CG 4.34Å; F155-F210 VanDerWaalsContact O-CA 3.24Å; F155-F210 WeakPolarHBondContact O-CA 3.38Å; I156-F210 HydrophobicContact CG1-CD1 4.22Å; I156-F210 HydrophobicContact CG1-CE1 3.97Å; V161-F210 HydrophobicContact CG1-CE1 3.78Å; V161-F210 HydrophobicContact CG1-CZ 3.53Å; F187-F210 HydrophobicContact CE1-CD1 4.22Å; F187-F210 AromaticContact CE1-CE1 3.78Å; F187-F210 HydrophobicContact CE1-CE1 3.78Å; F187-F210 HydrophobicContact CZ-CD1 4.12Å; F187-F210 AromaticContact CZ-CE1 3.73Å; F187-F210 HydrophobicContact CZ-CE1 3.73Å; F187-F210 HydrophobicContact CZ-CZ 4.47Å; T208-F210 HydrophobicContact CG2-CZ 4.26Å; T208-F210 WeakPolarHBondContact OG1-CE2 3.2Å; T208-F210 WeakPolarHBondContact OG1-CZ 3.45Å; F210-V212 HydrophobicContact CB-CG2 4.16Å
211	L	94.6	Very high	91.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118.1	164.4	-49.9	168.4	0	0	0	107.3	F84 M92 L111 L114 M132 R133 F134 Y154 F155 Y157	F84-L211 HydrophobicContact CE1-CD2 4.31Å; F84-L211 HydrophobicContact CE2-CD2 4.22Å; F84-L211 HydrophobicContact CZ-CD2 4.13Å; M92-L211 HydrophobicContact CE-CD2 3.86Å; M92-L211 HydrophobicContact SD-CD2 3.58Å; M92-L211 VanDerWaalsContact SD-CD2 3.58Å; L111-L211 HydrophobicContact CD2-CD1 3.14Å; L111-L211 HydrophobicContact CD2-CG 4.47Å; L111-L211 HydrophobicContact CG-CD1 4.49Å; L114-L211 HydrophobicContact CD1-CD1 3.69Å; M132-L211 HydrophobicContact CG-CB 4.46Å; M132-L211 HydrophobicContact SD-CB 4.29Å; M132-L211 HydrophobicContact SD-CD1 4.41Å; R133-L211 CarbonylContact O-C 3.59Å; R133-L211 WeakPolarHBondContact O-CA 3.35Å; F134-L211 HydrophobicContact CD2-CD2 4.24Å; Y154-L211 CarbonylContact C-O 3.56Å; Y154-L211 WeakPolarHBondContact CA-O 3.45Å; F155-L211 HydrophobicContact CB-CB 4.17Å; F155-L211 HydrophobicContact CB-CD1 4.47Å; F155-L211 PolarHBondContact N-O 2.74Å; F155-L211 PolarHBondContact O-N 3.3Å; Y157-L211 HydrophobicContact CD2-CD1 4.42Å
212	V	93.9	Very high	91.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	139.6	-171	-165.4	0	0	0	0	109.3	M132 R133 E135 F153 Y154 F210	M132-V212 CarbonylContact C-O 3.6Å; M132-V212 WeakPolarHBondContact CA-O 3.5Å; R133-V212 HydrophobicContact CG-CB 3.8Å; R133-V212 WeakPolarHBondContact CG-O 3.11Å; R133-V212 PolarHBondContact N-O 2.97Å; R133-V212 PolarHBondContact O-N 3.09Å; E135-V212 HydrophobicContact CB-CG2 4.08Å; E135-V212 HydrophobicContact CG-CG2 3.91Å; E135-V212 WeakPolarHBondContact OE2-CG2 3.46Å; F153-V212 WeakPolarHBondContact O-CA 3.49Å; Y154-V212 HydrophobicContact CD1-CB 4.19Å; Y154-V212 HydrophobicContact CD1-CG1 3.88Å; Y154-V212 HydrophobicContact CD1-CG2 3.47Å; Y154-V212 VanDerWaalsContact CD1-CG2 3.47Å; Y154-V212 HydrophobicContact CE1-CB 4.17Å; Y154-V212 HydrophobicContact CE1-CG1 3.55Å; Y154-V212 HydrophobicContact CE1-CG2 3.54Å; Y154-V212 HydrophobicContact CG-CG1 4.48Å; F210-V212 HydrophobicContact CB-CG2 4.16Å
213	V	92.8	Very high	91.2	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	123.7	171.2	177.5	0	0	0	0	107.5	L128 V131 M132 S152 F153 F218	L128-V213 HydrophobicContact CD2-CG2 4.06Å; V131-V213 HydrophobicContact CG2-CG1 3.74Å; V131-V213 HydrophobicContact CG2-CG2 4.21Å; M132-V213 HydrophobicContact CB-CG2 4.39Å; M132-V213 HydrophobicContact CE-CG2 4.27Å; M132-V213 HydrophobicContact CG-CG2 3.41Å; M132-V213 VanDerWaalsContact CG-CG2 3.41Å; S152-V213 CarbonylContact C-O 3.57Å; S152-V213 WeakPolarHBondContact CA-O 3.37Å; S152-V213 WeakPolarHBondContact CB-O 3.43Å; F153-V213 HydrophobicContact CD1-CB 3.55Å; F153-V213 HydrophobicContact CD1-CG1 4.07Å; F153-V213 HydrophobicContact CD1-CG2 4.36Å; F153-V213 HydrophobicContact CE1-CB 3.29Å; F153-V213 HydrophobicContact CE1-CG1 3.52Å; F153-V213 HydrophobicContact CE1-CG2 3.82Å; F153-V213 HydrophobicContact CZ-CB 4.08Å; F153-V213 HydrophobicContact CZ-CG1 4.44Å; F153-V213 HydrophobicContact CZ-CG2 4.11Å; F153-V213 PolarHBondContact N-O 3.1Å; F153-V213 PolarHBondContact O-N 3.44Å; V213-F218 HydrophobicContact CG1-CB 4.45Å; V213-F218 HydrophobicContact CG1-CD2 4.44Å
214	D	91.1	Very high	90.9	Very high	39 Å²	39	42.6 Å²	42.6	21%	0.209	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	151.1	179.5	-60.8	-46.3	0	0	0	111.1	R133 S152 E216 D217 F218	R133-D214 WeakPolarHBondContact CD-OD2 3.05Å; R133-D214 IonicContact CZ-OD1 3.07Å; R133-D214 IonicContact CZ-OD2 2.97Å; R133-D214 IonicContact NE-OD1 2.75Å; R133-D214 PolarHBondContact NE-OD1 3.42Å; R133-D214 IonicContact NE-OD2 3.97Å; R133-D214 PolarHBondContact NE-OD2 3.11Å; R133-D214 IonicContact NH2-OD1 3.6Å; R133-D214 PolarHBondContact NH2-OD1 3.22Å; R133-D214 IonicContact NH2-OD2 3.67Å; S152-D214 WeakPolarHBondContact CB-OD1 3.35Å; S152-D214 PolarHBondContact OG-OD1 3.38Å; D214-E216 VanDerWaalsContact C-N 3.3Å; D214-E216 PolarHBondContact O-N 3.42Å; D214-D217 PolarHBondContact O-N 3.33Å; D214-F218 WeakPolarHBondContact O-CB 3.46Å; D214-F218 PolarHBondContact O-N 3.14Å
215	R	89.2	Confident	90.7	Very high	55 Å²	55	46.8 Å²	46.8	21%	0.208	23%	0.232	C	C	.	.	H	α-helix	trans	-59	-41.2	-178.3	-176.7	-172.9	-176.1	89.7	18.2	111.8	N151 D191 I192 A195 F218 F219	N151-R215 WeakPolarHBondContact O-CB 3.38Å; N151-R215 PolarHBondContact O-N 2.92Å; D191-R215 PolarHBondContact O-NH1 3.29Å; I192-R215 HydrophobicContact CG2-CG 4.33Å; I192-R215 PolarHBondContact O-NH1 3.38Å; I192-R215 PolarHBondContact O-NH2 3.28Å; I192-R215 VanDerWaalsContact O-NH2 3.17Å; A195-R215 VanDerWaalsContact CA-NH1 3.27Å; R215-F218 WeakPolarHBondContact O-CB 3.4Å; R215-F218 PolarHBondContact O-N 2.79Å; R215-F219 HydrophobicContact CG-CD2 3.85Å; R215-F219 HydrophobicContact CG-CE2 3.59Å; R215-F219 WeakPolarHBondContact O-CD2 3.45Å; R215-F219 PolarHBondContact O-N 3.44Å
216	E	88.7	Confident	90.6	Very high	162 Å²	162	46.5 Å²	46.5	76%	0.757	23%	0.23	S	C	*	.	H	α-helix	trans	-61.3	-48.8	-178.9	-66.3	171.1	-166.1	0	0	110.9	D214 F218 F219 A220	D214-E216 VanDerWaalsContact C-N 3.3Å; D214-E216 PolarHBondContact O-N 3.42Å; E216-F218 VanDerWaalsContact C-N 3.32Å; E216-F218 PolarHBondContact O-N 3.4Å; E216-F219 PolarHBondContact O-N 2.63Å; E216-A220 WeakPolarHBondContact O-CB 3.47Å; E216-A220 PolarHBondContact O-N 3.49Å
217	D	89.8	Confident	90.4	Very high	47 Å²	47	43.9 Å²	43.9	25%	0.251	22%	0.22	S	C	.	.	H	α-helix	trans	-67.6	-32.5	177.5	-75.5	-32.9	0	0	0	112.6	V131 D214 N221	V131-D217 HydrophobicContact CB-CB 4.12Å; V131-D217 HydrophobicContact CG1-CB 4.22Å; D214-D217 PolarHBondContact O-N 3.33Å; D217-N221 WeakPolarHBondContact O-CB 3.25Å; D217-N221 PolarHBondContact O-N 3.28Å; D217-N221 PolarHBondContact O-ND2 2.98Å
218	F	88.2	Confident	90.3	Very high	11 Å²	11	45.7 Å²	45.7	5%	0.048	23%	0.228	C	C	.	.	H	α-helix	trans	-59.2	-49.8	176.2	-174.7	-88.8	0	0	0	111.7	F153 I192 L193 V213 D214 R215 E216 L223 D224 V227	F153-F218 HydrophobicContact CE1-CD2 4.28Å; I192-F218 HydrophobicContact CG2-CB 4.26Å; I192-F218 HydrophobicContact CG2-CD1 3.75Å; I192-F218 HydrophobicContact CG2-CD2 4.27Å; I192-F218 HydrophobicContact CG2-CE1 4.13Å; I192-F218 HydrophobicContact CG2-CG 3.84Å; L193-F218 HydrophobicContact CD2-CE1 3.9Å; L193-F218 HydrophobicContact CD2-CZ 4.07Å; V213-F218 HydrophobicContact CG1-CB 4.45Å; V213-F218 HydrophobicContact CG1-CD2 4.44Å; D214-F218 WeakPolarHBondContact O-CB 3.46Å; D214-F218 PolarHBondContact O-N 3.14Å; R215-F218 WeakPolarHBondContact O-CB 3.4Å; R215-F218 PolarHBondContact O-N 2.79Å; E216-F218 VanDerWaalsContact C-N 3.32Å; E216-F218 PolarHBondContact O-N 3.4Å; F218-L223 HydrophobicContact CD1-CB 4.34Å; F218-L223 HydrophobicContact CD2-CB 3.63Å; F218-L223 HydrophobicContact CD2-CD2 3.69Å; F218-L223 HydrophobicContact CD2-CG 4.29Å; F218-L223 HydrophobicContact CE1-CB 4.31Å; F218-L223 HydrophobicContact CE2-CB 3.59Å; F218-L223 HydrophobicContact CE2-CD2 4.05Å; F218-L223 HydrophobicContact CE2-CG 4.48Å; F218-L223 HydrophobicContact CG-CB 4.01Å; F218-L223 HydrophobicContact CZ-CB 3.94Å; F218-L223 WeakPolarHBondContact O-CB 3.37Å; F218-L223 PolarHBondContact O-N 3.12Å; F218-D224 HydrophobicContact CD1-CB 4.35Å; F218-D224 HydrophobicContact CE1-CB 3.79Å; F218-V227 HydrophobicContact CZ-CG2 3.99Å
219	F	88.7	Confident	90.1	Very high	83 Å²	83	51.2 Å²	51.2	36%	0.364	25%	0.252	S	S	.	.	H	α-helix	trans	-76.2	-37.3	177.2	-69.7	-72.7	0	0	0	112.4	R215 E216 N221 K222 D224	R215-F219 HydrophobicContact CG-CD2 3.85Å; R215-F219 HydrophobicContact CG-CE2 3.59Å; R215-F219 WeakPolarHBondContact O-CD2 3.45Å; R215-F219 PolarHBondContact O-N 3.44Å; E216-F219 PolarHBondContact O-N 2.63Å; F219-N221 VanDerWaalsContact C-N 3.29Å; F219-N221 PolarHBondContact O-N 3.09Å; F219-K222 PolarHBondContact O-N 2.95Å; F219-D224 HydrophobicContact CD1-CB 3.87Å; F219-D224 HydrophobicContact CE1-CB 3.87Å
220	A	88.3	Confident	89.9	Confident	76 Å²	76	52.6 Å²	52.6	63%	0.628	26%	0.26	S	S	*	.	H	α-helix	trans	-63.8	-33.5	-178.8	0	0	0	0	0	112.9	E216	E216-A220 WeakPolarHBondContact O-CB 3.47Å; E216-A220 PolarHBondContact O-N 3.49Å
221	N	86.6	Confident	89.6	Confident	33 Å²	33	53.1 Å²	53.1	18%	0.176	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	13.3	-179.8	-66.3	-87.7	0	0	0	113.6	V131 D217 F219 L223	V131-N221 HydrophobicContact CG1-CB 3.8Å; V131-N221 VanDerWaalsContact CG1-ND2 3.3Å; V131-N221 WeakPolarHBondContact CG1-ND2 3.45Å; D217-N221 WeakPolarHBondContact O-CB 3.25Å; D217-N221 PolarHBondContact O-N 3.28Å; D217-N221 PolarHBondContact O-ND2 2.98Å; F219-N221 VanDerWaalsContact C-N 3.29Å; F219-N221 PolarHBondContact O-N 3.09Å; N221-L223 VanDerWaalsContact C-N 3.31Å; N221-L223 HydrophobicContact CB-CD1 3.53Å; N221-L223 PolarHBondContact O-N 2.87Å
222	K	88.4	Confident	89.5	Confident	126 Å²	126	56.7 Å²	56.7	55%	0.548	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	28	175.2	-51.2	177.1	-178.2	179	0	114.8	F219 D224 Q225	F219-K222 PolarHBondContact O-N 2.95Å; K222-D224 VanDerWaalsContact C-OD1 3.28Å; K222-D224 VanDerWaalsContact CA-OD1 3.26Å; K222-D224 WeakPolarHBondContact CA-OD1 3.26Å; K222-D224 PolarHBondContact O-N 3.36Å; K222-Q225 HydrophobicContact CB-CG 4.21Å; K222-Q225 PolarHBondContact O-N 3.41Å
223	L	88.3	Confident	89.4	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-66.5	-30.1	176.6	-78.3	71.8	0	0	0	111.3	L124 L127 L128 V131 F218 N221 Q225 E226 V227	L124-L223 HydrophobicContact CD1-CB 3.99Å; L124-L223 HydrophobicContact CD1-CD2 4.11Å; L124-L223 HydrophobicContact CD1-CG 3.85Å; L127-L223 HydrophobicContact CB-CD1 3.87Å; L127-L223 HydrophobicContact CB-CG 3.95Å; L127-L223 HydrophobicContact CD1-CD1 4.5Å; L128-L223 HydrophobicContact CD2-CD2 3.55Å; L128-L223 HydrophobicContact CG-CD2 4.03Å; V131-L223 HydrophobicContact CG1-CD1 4.31Å; V131-L223 HydrophobicContact CG2-CD1 4.5Å; V131-L223 HydrophobicContact CG2-CD2 3.97Å; F218-L223 HydrophobicContact CD1-CB 4.34Å; F218-L223 HydrophobicContact CD2-CB 3.63Å; F218-L223 HydrophobicContact CD2-CD2 3.69Å; F218-L223 HydrophobicContact CD2-CG 4.29Å; F218-L223 HydrophobicContact CE1-CB 4.31Å; F218-L223 HydrophobicContact CE2-CB 3.59Å; F218-L223 HydrophobicContact CE2-CD2 4.05Å; F218-L223 HydrophobicContact CE2-CG 4.48Å; F218-L223 HydrophobicContact CG-CB 4.01Å; F218-L223 HydrophobicContact CZ-CB 3.94Å; F218-L223 WeakPolarHBondContact O-CB 3.37Å; F218-L223 PolarHBondContact O-N 3.12Å; N221-L223 VanDerWaalsContact C-N 3.31Å; N221-L223 HydrophobicContact CB-CD1 3.53Å; N221-L223 PolarHBondContact O-N 2.87Å; L223-Q225 VanDerWaalsContact C-N 3.26Å; L223-Q225 PolarHBondContact O-N 3.38Å; L223-E226 PolarHBondContact O-N 3.05Å; L223-V227 WeakPolarHBondContact O-CG2 3.38Å; L223-V227 PolarHBondContact O-N 3.28Å
224	D	88.4	Confident	89.3	Confident	44 Å²	44	61.5 Å²	61.5	24%	0.235	30%	0.299	C	S	.	.	H	α-helix	trans	-56.9	-38.3	174.1	61.8	-53.9	0	0	0	112.5	F218 F219 K222 V227 Q228	F218-D224 HydrophobicContact CD1-CB 4.35Å; F218-D224 HydrophobicContact CE1-CB 3.79Å; F219-D224 HydrophobicContact CD1-CB 3.87Å; F219-D224 HydrophobicContact CE1-CB 3.87Å; K222-D224 VanDerWaalsContact C-OD1 3.28Å; K222-D224 VanDerWaalsContact CA-OD1 3.26Å; K222-D224 WeakPolarHBondContact CA-OD1 3.26Å; K222-D224 PolarHBondContact O-N 3.36Å; D224-V227 PolarHBondContact O-N 2.89Å; D224-Q228 WeakPolarHBondContact O-CB 3.43Å; D224-Q228 PolarHBondContact O-N 3.28Å
225	Q	89.8	Confident	89.4	Confident	89 Å²	89	60.7 Å²	60.7	42%	0.416	29%	0.294	S	S	.	.	H	α-helix	trans	-67.5	-40.8	179.7	-59.9	-176	-2.6	0	0	111.8	K222 L223 Q228 K229	K222-Q225 HydrophobicContact CB-CG 4.21Å; K222-Q225 PolarHBondContact O-N 3.41Å; L223-Q225 VanDerWaalsContact C-N 3.26Å; L223-Q225 PolarHBondContact O-N 3.38Å; Q225-Q228 PolarHBondContact O-N 2.99Å; Q225-K229 WeakPolarHBondContact O-CG 3.36Å; Q225-K229 PolarHBondContact O-N 3.02Å
226	E	89.4	Confident	89.6	Confident	33 Å²	33	62.4 Å²	62.4	15%	0.154	30%	0.304	C	S	.	.	H	α-helix	trans	-69.1	-40.4	176.5	-64.3	-54.6	131.2	0	0	111.5	L124 L127 L223 Q228 K229 D230	L124-E226 HydrophobicContact CB-CB 4.19Å; L124-E226 HydrophobicContact CD1-CB 4.23Å; L127-E226 HydrophobicContact CD1-CG 3.86Å; L223-E226 PolarHBondContact O-N 3.05Å; E226-Q228 VanDerWaalsContact C-N 3.28Å; E226-Q228 PolarHBondContact O-N 2.8Å; E226-K229 WeakPolarHBondContact O-CB 3.37Å; E226-K229 PolarHBondContact O-N 3.3Å; E226-K229 IonicContact OE1-NZ 2.67Å; E226-K229 PolarHBondContact OE1-NZ 3.28Å; E226-K229 IonicContact OE2-NZ 3.4Å; E226-D230 PolarHBondContact O-N 3.16Å
227	V	88.1	Confident	89.8	Confident	28 Å²	28	55.8 Å²	55.8	17%	0.17	27%	0.273	C	S	.	.	H	α-helix	trans	-62.6	-37.7	174	173	0	0	0	0	111.4	L124 L193 F218 L223 D224 D230 A231	L124-V227 HydrophobicContact CD2-CG2 3.83Å; L193-V227 HydrophobicContact CD1-CG1 4.08Å; L193-V227 HydrophobicContact CD2-CG1 4.34Å; F218-V227 HydrophobicContact CZ-CG2 3.99Å; L223-V227 WeakPolarHBondContact O-CG2 3.38Å; L223-V227 PolarHBondContact O-N 3.28Å; D224-V227 PolarHBondContact O-N 2.89Å; V227-D230 PolarHBondContact O-N 3.21Å; V227-A231 WeakPolarHBondContact O-CB 3.19Å; V227-A231 PolarHBondContact O-N 2.93Å
228	Q	88.6	Confident	89.8	Confident	131 Å²	131	53.5 Å²	53.5	61%	0.612	26%	0.261	S	S	*	.	H	α-helix	trans	-67	-39.4	174.9	-172.1	177.1	6.4	0	0	112	D224 Q225 E226 D230 A231 Q232	D224-Q228 WeakPolarHBondContact O-CB 3.43Å; D224-Q228 PolarHBondContact O-N 3.28Å; Q225-Q228 PolarHBondContact O-N 2.99Å; E226-Q228 VanDerWaalsContact C-N 3.28Å; E226-Q228 PolarHBondContact O-N 2.8Å; Q228-D230 VanDerWaalsContact C-N 3.35Å; Q228-A231 PolarHBondContact O-N 3.2Å; Q228-Q232 WeakPolarHBondContact O-CB 3.42Å; Q228-Q232 PolarHBondContact O-N 2.84Å
229	K	90.2	Very high	90	Very high	115 Å²	115	58 Å²	58	50%	0.5	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-44.3	172.7	-72.2	171.6	-173	171.5	0	111.5	Q225 E226 A231 Q232 Y233	Q225-K229 WeakPolarHBondContact O-CG 3.36Å; Q225-K229 PolarHBondContact O-N 3.02Å; E226-K229 WeakPolarHBondContact O-CB 3.37Å; E226-K229 PolarHBondContact O-N 3.3Å; E226-K229 IonicContact OE1-NZ 2.67Å; E226-K229 PolarHBondContact OE1-NZ 3.28Å; E226-K229 IonicContact OE2-NZ 3.4Å; K229-A231 VanDerWaalsContact C-N 3.3Å; K229-A231 PolarHBondContact O-N 3.48Å; K229-Q232 PolarHBondContact O-N 3.24Å; K229-Y233 WeakPolarHBondContact O-CB 3.44Å; K229-Y233 PolarHBondContact O-N 3.3Å
230	D	89	Confident	90.1	Very high	32 Å²	32	62 Å²	62	17%	0.171	29%	0.294	C	S	.	.	H	α-helix	trans	-64.4	-35.2	176.1	-80	-7.8	0	0	0	111.9	E226 V227 Q228 R234	E226-D230 PolarHBondContact O-N 3.16Å; V227-D230 PolarHBondContact O-N 3.21Å; Q228-D230 VanDerWaalsContact C-N 3.35Å; D230-R234 WeakPolarHBondContact O-CG 3.48Å; D230-R234 PolarHBondContact O-N 2.89Å; D230-R234 PolarHBondContact O-NE 2.96Å; D230-R234 VanDerWaalsContact O-NE 3.1Å
231	A	90.1	Very high	90.1	Very high	10 Å²	10	59.4 Å²	59.4	8%	0.083	27%	0.27	C	S	.	.	H	α-helix	trans	-67.5	-44.2	173.2	0	0	0	0	0	112	V227 Q228 K229 Y233 R234 F235 W253 V256	V227-A231 WeakPolarHBondContact O-CB 3.19Å; V227-A231 PolarHBondContact O-N 2.93Å; Q228-A231 PolarHBondContact O-N 3.2Å; K229-A231 VanDerWaalsContact C-N 3.3Å; K229-A231 PolarHBondContact O-N 3.48Å; A231-Y233 PolarHBondContact O-N 3.34Å; A231-R234 PolarHBondContact O-N 2.99Å; A231-F235 PolarHBondContact O-N 3.03Å; A231-W253 HydrophobicContact CB-CZ3 3.98Å; A231-V256 HydrophobicContact CB-CG1 4.06Å; A231-V256 WeakPolarHBondContact O-CG1 3.28Å
232	Q	91.9	Very high	90	Very high	75 Å²	75	64.4 Å²	64.4	35%	0.35	30%	0.297	S	S	.	.	H	α-helix	trans	-62.3	-43	176.4	-174.7	62.5	25.6	0	0	111.8	Q228 K229 R234 F235 E236	Q228-Q232 WeakPolarHBondContact O-CB 3.42Å; Q228-Q232 PolarHBondContact O-N 2.84Å; K229-Q232 PolarHBondContact O-N 3.24Å; Q232-R234 VanDerWaalsContact C-N 3.3Å; Q232-R234 PolarHBondContact O-N 3.24Å; Q232-F235 WeakPolarHBondContact O-CB 3.4Å; Q232-F235 PolarHBondContact O-N 3.43Å; Q232-E236 PolarHBondContact NE2-OE1 2.69Å; Q232-E236 WeakPolarHBondContact O-CG 3.33Å; Q232-E236 PolarHBondContact O-N 2.8Å
233	Y	91.4	Very high	89.7	Confident	76 Å²	76	58.9 Å²	58.9	30%	0.298	27%	0.273	S	S	.	.	H	α-helix	trans	-56.4	-44.5	175	173.2	-102.5	0	0	0	112	K229 A231 E236 F237 S284 K285	K229-Y233 WeakPolarHBondContact O-CB 3.44Å; K229-Y233 PolarHBondContact O-N 3.3Å; A231-Y233 PolarHBondContact O-N 3.34Å; Y233-E236 PolarHBondContact O-N 3.29Å; Y233-F237 WeakPolarHBondContact O-CB 3.41Å; Y233-F237 PolarHBondContact O-N 3.46Å; Y233-S284 PolarHBondContact OH-OG 2.86Å; Y233-K285 WeakPolarHBondContact OH-CE 3.47Å
234	R	92.1	Very high	89.6	Confident	27 Å²	27	58.9 Å²	58.9	10%	0.102	27%	0.273	C	S	.	.	H	α-helix	trans	-66.9	-40.9	175.9	-72.1	177.5	-74.7	162.5	1.8	112.5	D230 A231 Q232 E236 F237 F238 V256 S259 I261 I450	D230-R234 WeakPolarHBondContact O-CG 3.48Å; D230-R234 PolarHBondContact O-N 2.89Å; D230-R234 PolarHBondContact O-NE 2.96Å; D230-R234 VanDerWaalsContact O-NE 3.1Å; A231-R234 PolarHBondContact O-N 2.99Å; Q232-R234 VanDerWaalsContact C-N 3.3Å; Q232-R234 PolarHBondContact O-N 3.24Å; R234-E236 VanDerWaalsContact C-N 3.34Å; R234-E236 PolarHBondContact O-N 2.74Å; R234-F237 WeakPolarHBondContact O-CB 3.46Å; R234-F237 PolarHBondContact O-N 2.89Å; R234-F238 HydrophobicContact CB-CE2 4.38Å; R234-F238 WeakPolarHBondContact O-CD2 3.34Å; R234-F238 PolarHBondContact O-N 2.9Å; R234-V256 HydrophobicContact CB-CG1 4.08Å; R234-V256 HydrophobicContact CB-CG2 4.25Å; R234-V256 PolarHBondContact NH1-O 3.09Å; R234-S259 PolarHBondContact NH1-O 2.95Å; R234-S259 PolarHBondContact NH1-OG 2.88Å; R234-I261 HydrophobicContact CG-CD1 3.79Å; R234-I261 HydrophobicContact CG-CG1 4.06Å; R234-I450 HydrophobicContact CG-CD1 4.08Å
235	F	93.1	Very high	89.4	Confident	22 Å²	22	59.6 Å²	59.6	10%	0.096	29%	0.285	C	S	.	.	H	α-helix	trans	-57.7	-49.2	176	-179.3	-87	0	0	0	110.7	A231 Q232 F237 F238 R239 D249 L252 W253 V256	A231-F235 PolarHBondContact O-N 3.03Å; Q232-F235 WeakPolarHBondContact O-CB 3.4Å; Q232-F235 PolarHBondContact O-N 3.43Å; F235-F237 VanDerWaalsContact C-N 3.31Å; F235-F237 PolarHBondContact O-N 2.89Å; F235-F238 PolarHBondContact O-N 2.82Å; F235-R239 WeakPolarHBondContact O-CB 3.18Å; F235-R239 PolarHBondContact O-N 2.95Å; F235-D249 HydrophobicContact CE2-CB 4.32Å; F235-D249 HydrophobicContact CZ-CB 4.06Å; F235-L252 HydrophobicContact CD2-CB 4.25Å; F235-L252 HydrophobicContact CD2-CD2 3.86Å; F235-L252 HydrophobicContact CD2-CG 3.93Å; F235-L252 HydrophobicContact CE1-CD2 4.36Å; F235-L252 HydrophobicContact CE2-CB 3.83Å; F235-L252 HydrophobicContact CE2-CD2 3.62Å; F235-L252 HydrophobicContact CE2-CG 3.89Å; F235-L252 HydrophobicContact CG-CD2 4.35Å; F235-L252 HydrophobicContact CZ-CD2 3.88Å; F235-W253 HydrophobicContact CB-CH2 4.14Å; F235-W253 HydrophobicContact CB-CZ2 4.25Å; F235-W253 HydrophobicContact CB-CZ3 4.42Å; F235-W253 AromaticContact CD2-CD1 3.96Å; F235-W253 AromaticContact CD2-CD2 3.74Å; F235-W253 HydrophobicContact CD2-CD2 3.74Å; F235-W253 AromaticContact CD2-CE2 3.52Å; F235-W253 HydrophobicContact CD2-CE3 4.32Å; F235-W253 HydrophobicContact CD2-CG 4.02Å; F235-W253 HydrophobicContact CD2-CH2 4.48Å; F235-W253 AromaticContact CD2-CZ2 3.93Å; F235-W253 HydrophobicContact CD2-CZ2 3.93Å; F235-W253 AromaticContact CD2-NE1 3.66Å; F235-W253 AromaticContact CE2-CD1 3.56Å; F235-W253 HydrophobicContact CE2-CD2 4.15Å; F235-W253 AromaticContact CE2-CE2 3.78Å; F235-W253 HydrophobicContact CE2-CG 4.02Å; F235-W253 HydrophobicContact CE2-CZ2 4.45Å; F235-W253 AromaticContact CE2-NE1 3.38Å; F235-W253 HydrophobicContact CG-CH2 4.41Å; F235-W253 HydrophobicContact CG-CZ2 4.02Å; F235-V256 HydrophobicContact CB-CG2 4.04Å; F235-V256 HydrophobicContact CD2-CG2 4.45Å
236	E	92.6	Very high	89.1	Confident	90 Å²	90	58.5 Å²	58.5	42%	0.421	29%	0.287	S	S	.	.	H	α-helix	trans	-62.7	-37.8	176.5	-72	177.2	-165.4	0	0	112.5	Q232 Y233 R234 K240	Q232-E236 PolarHBondContact NE2-OE1 2.69Å; Q232-E236 WeakPolarHBondContact O-CG 3.33Å; Q232-E236 PolarHBondContact O-N 2.8Å; Y233-E236 PolarHBondContact O-N 3.29Å; R234-E236 VanDerWaalsContact C-N 3.34Å; R234-E236 PolarHBondContact O-N 2.74Å; E236-K240 VanDerWaalsContact O-CG 3.27Å; E236-K240 WeakPolarHBondContact O-CG 3.08Å; E236-K240 PolarHBondContact O-N 3.42Å; E236-K240 VanDerWaalsContact O-N 3.16Å
237	F	92	Very high	89	Confident	23 Å²	23	57.2 Å²	57.2	10%	0.101	28%	0.281	C	S	.	.	H	α-helix	trans	-60.9	-52.4	174.8	174.4	-96	0	0	0	111.4	Y233 R234 F235 R239 K240 M241 F282 I283 I450	Y233-F237 WeakPolarHBondContact O-CB 3.41Å; Y233-F237 PolarHBondContact O-N 3.46Å; R234-F237 WeakPolarHBondContact O-CB 3.46Å; R234-F237 PolarHBondContact O-N 2.89Å; F235-F237 VanDerWaalsContact C-N 3.31Å; F235-F237 PolarHBondContact O-N 2.89Å; F237-R239 VanDerWaalsContact C-N 3.34Å; F237-R239 PolarHBondContact O-N 3.39Å; F237-K240 PolarHBondContact O-N 2.97Å; F237-M241 HydrophobicContact CD1-SD 4.35Å; F237-M241 HydrophobicContact CE1-SD 3.68Å; F237-M241 HydrophobicContact CZ-SD 4.08Å; F237-F282 HydrophobicContact CE1-CB 4.13Å; F237-I283 WeakPolarHBondContact CZ-O 3.49Å; F237-I450 HydrophobicContact CD1-CD1 3.59Å; F237-I450 HydrophobicContact CE1-CD1 3.9Å; F237-I450 HydrophobicContact CG-CD1 4.26Å
238	F	91.1	Very high	89.1	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.6	-36.9	179.6	-68	-59.9	0	0	0	112.3	R234 F235 K240 M241 F244 L252 L255 V256 F282 I450 I452	R234-F238 HydrophobicContact CB-CE2 4.38Å; R234-F238 WeakPolarHBondContact O-CD2 3.34Å; R234-F238 PolarHBondContact O-N 2.9Å; F235-F238 PolarHBondContact O-N 2.82Å; F238-K240 PolarHBondContact O-N 3.43Å; F238-M241 HydrophobicContact CD1-SD 4.15Å; F238-M241 WeakPolarHBondContact O-CB 3.41Å; F238-M241 PolarHBondContact O-N 3.4Å; F238-F244 HydrophobicContact CB-CD2 4.03Å; F238-F244 AromaticContact CD1-CD2 3.97Å; F238-F244 HydrophobicContact CD1-CD2 3.97Å; F238-F244 AromaticContact CD1-CE2 3.61Å; F238-F244 HydrophobicContact CD1-CE2 3.61Å; F238-F244 HydrophobicContact CD1-CZ 4.38Å; F238-F244 HydrophobicContact CE1-CE2 4.25Å; F238-F244 HydrophobicContact CG-CD2 4.44Å; F238-F244 HydrophobicContact CG-CE2 4.45Å; F238-L252 HydrophobicContact CB-CD1 3.57Å; F238-L252 HydrophobicContact CB-CD2 4.45Å; F238-L252 HydrophobicContact CB-CG 4.31Å; F238-L252 HydrophobicContact CG-CD1 4.37Å; F238-L255 HydrophobicContact CB-CD2 4.48Å; F238-L255 HydrophobicContact CD1-CD2 3.86Å; F238-L255 HydrophobicContact CD2-CD2 3.8Å; F238-L255 HydrophobicContact CE1-CD2 3.9Å; F238-L255 HydrophobicContact CE2-CD2 3.85Å; F238-L255 HydrophobicContact CE2-CG 4.5Å; F238-L255 HydrophobicContact CG-CD2 3.81Å; F238-L255 HydrophobicContact CZ-CD2 3.9Å; F238-V256 HydrophobicContact CD2-CG2 3.79Å; F238-V256 HydrophobicContact CE2-CG2 4.13Å; F238-F282 HydrophobicContact CE1-CD1 4.01Å; F238-F282 HydrophobicContact CE1-CD2 4.07Å; F238-F282 HydrophobicContact CE1-CE1 4.25Å; F238-F282 HydrophobicContact CE1-CE2 4.33Å; F238-F282 AromaticContact CE1-CG 3.94Å; F238-F282 HydrophobicContact CE1-CG 3.94Å; F238-F282 HydrophobicContact CE1-CZ 4.42Å; F238-I450 HydrophobicContact CE2-CG2 4.35Å; F238-I450 HydrophobicContact CZ-CB 4.45Å; F238-I450 HydrophobicContact CZ-CD1 4.21Å; F238-I450 HydrophobicContact CZ-CG2 3.74Å; F238-I452 HydrophobicContact CE1-CD1 4.36Å; F238-I452 HydrophobicContact CZ-CD1 3.9Å
239	R	91.4	Very high	89.2	Confident	105 Å²	105	56 Å²	56	40%	0.396	28%	0.282	S	S	.	.	H	α-helix	trans	-62.5	-30.8	177.6	-169.5	60.7	168.4	-169.3	-7.6	113	F235 F237 M241 W247 D249 L252	F235-R239 WeakPolarHBondContact O-CB 3.18Å; F235-R239 PolarHBondContact O-N 2.95Å; F237-R239 VanDerWaalsContact C-N 3.34Å; F237-R239 PolarHBondContact O-N 3.39Å; R239-M241 VanDerWaalsContact C-N 3.29Å; R239-W247 PolarHBondContact NH1-O 3.2Å; R239-D249 IonicContact CZ-OD1 2.9Å; R239-D249 IonicContact NH1-OD1 3.94Å; R239-D249 PolarHBondContact NH1-OD1 2.62Å; R239-D249 IonicContact NH2-OD1 3.68Å; R239-D249 PolarHBondContact NH2-OD1 3.17Å; R239-L252 HydrophobicContact CB-CD2 4Å
240	K	90.7	Very high	89.2	Confident	166 Å²	166	57.9 Å²	57.9	72%	0.722	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-16.2	175.8	-74.2	171.2	-173.4	174.4	0	113.5	E236 F237 F238	E236-K240 VanDerWaalsContact O-CG 3.27Å; E236-K240 WeakPolarHBondContact O-CG 3.08Å; E236-K240 PolarHBondContact O-N 3.42Å; E236-K240 VanDerWaalsContact O-N 3.16Å; F237-K240 PolarHBondContact O-N 2.97Å; F238-K240 PolarHBondContact O-N 3.43Å
241	M	88	Confident	89.1	Confident	22 Å²	22	59.2 Å²	59.2	11%	0.108	30%	0.297	C	S	.	.	S	Bend	trans	-82	130.1	179.7	-59.5	-175.7	73.7	0	0	110.6	F237 F238 R239 L243 F244 A245 F282 G420 I422	F237-M241 HydrophobicContact CD1-SD 4.35Å; F237-M241 HydrophobicContact CE1-SD 3.68Å; F237-M241 HydrophobicContact CZ-SD 4.08Å; F238-M241 HydrophobicContact CD1-SD 4.15Å; F238-M241 WeakPolarHBondContact O-CB 3.41Å; F238-M241 PolarHBondContact O-N 3.4Å; R239-M241 VanDerWaalsContact C-N 3.29Å; M241-L243 HydrophobicContact CE-CD1 4.43Å; M241-L243 PolarHBondContact O-N 3.33Å; M241-F244 HydrophobicContact CB-CD2 4.03Å; M241-F244 PolarHBondContact O-N 2.94Å; M241-F244 HydrophobicContact SD-CD2 4.23Å; M241-F244 HydrophobicContact SD-CE2 3.98Å; M241-A245 PolarHBondContact O-N 3.39Å; M241-F282 HydrophobicContact CE-CD1 4.01Å; M241-F282 HydrophobicContact CE-CE1 4.46Å; M241-F282 HydrophobicContact SD-CD1 4.01Å; M241-G420 VanDerWaalsContact CE-O 3.24Å; M241-G420 WeakPolarHBondContact CE-O 3.04Å; M241-I422 HydrophobicContact CE-CD1 3.78Å; M241-I422 HydrophobicContact CE-CG1 3.86Å
242	D	84.4	Confident	89.1	Confident	139 Å²	139	58.8 Å²	58.8	74%	0.743	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-22	179.7	-64.8	-28.5	0	0	0	113.9
243	L	83.8	Confident	89.1	Confident	9 Å²	9	59.1 Å²	59.1	5%	0.047	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-38.1	176.8	-72.7	169.5	0	0	0	113.7	M241 I422 K470 L471 L474	M241-L243 HydrophobicContact CE-CD1 4.43Å; M241-L243 PolarHBondContact O-N 3.33Å; L243-I422 HydrophobicContact CD1-CD1 3.05Å; L243-I422 HydrophobicContact CD1-CG1 4.41Å; L243-K470 HydrophobicContact CD2-CB 3.65Å; L243-L471 HydrophobicContact CD1-CD2 4.1Å; L243-L471 HydrophobicContact CD2-CD2 3.95Å; L243-L471 HydrophobicContact CD2-CG 4.4Å; L243-L474 HydrophobicContact CD1-CD1 3.59Å; L243-L474 HydrophobicContact CD2-CD1 3.64Å; L243-L474 HydrophobicContact CG-CD1 3.82Å
244	F	86.3	Confident	89	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.301	C	S	.	.	S	Bend	trans	-101.9	8.5	-176.1	-55.3	-67.3	0	0	0	112.5	F238 M241 S246 W247 L252 L255 F282 F457 M467	F238-F244 HydrophobicContact CB-CD2 4.03Å; F238-F244 AromaticContact CD1-CD2 3.97Å; F238-F244 HydrophobicContact CD1-CD2 3.97Å; F238-F244 AromaticContact CD1-CE2 3.61Å; F238-F244 HydrophobicContact CD1-CE2 3.61Å; F238-F244 HydrophobicContact CD1-CZ 4.38Å; F238-F244 HydrophobicContact CE1-CE2 4.25Å; F238-F244 HydrophobicContact CG-CD2 4.44Å; F238-F244 HydrophobicContact CG-CE2 4.45Å; M241-F244 HydrophobicContact CB-CD2 4.03Å; M241-F244 PolarHBondContact O-N 2.94Å; M241-F244 HydrophobicContact SD-CD2 4.23Å; M241-F244 HydrophobicContact SD-CE2 3.98Å; F244-S246 PolarHBondContact O-N 2.81Å; F244-W247 HydrophobicContact CB-CG 4.49Å; F244-W247 AromaticContact CD1-CD2 3.81Å; F244-W247 HydrophobicContact CD1-CD2 3.81Å; F244-W247 AromaticContact CD1-CE2 3.89Å; F244-W247 AromaticContact CD1-CE3 3.99Å; F244-W247 HydrophobicContact CD1-CE3 3.99Å; F244-W247 HydrophobicContact CD1-CG 4.31Å; F244-W247 HydrophobicContact CD1-CH2 4.36Å; F244-W247 HydrophobicContact CD1-CZ2 4.18Å; F244-W247 HydrophobicContact CD1-CZ3 4.27Å; F244-W247 HydrophobicContact CE1-CH2 4.16Å; F244-W247 HydrophobicContact CE1-CZ2 4.17Å; F244-W247 HydrophobicContact CE1-CZ3 4.34Å; F244-W247 WeakPolarHBondContact O-CB 3.43Å; F244-W247 PolarHBondContact O-N 3.26Å; F244-W247 VanDerWaalsContact O-N 3.07Å; F244-L252 HydrophobicContact CB-CD1 4.14Å; F244-L252 HydrophobicContact CG-CD1 4.37Å; F244-L255 HydrophobicContact CE1-CD2 4.13Å; F244-L255 HydrophobicContact CE2-CD2 4.47Å; F244-L255 HydrophobicContact CZ-CD2 4.08Å; F244-F282 AromaticContact CE2-CE1 3.82Å; F244-F282 HydrophobicContact CE2-CE1 3.82Å; F244-F282 HydrophobicContact CE2-CZ 4.41Å; F244-F282 AromaticContact CZ-CE1 3.8Å; F244-F282 HydrophobicContact CZ-CE1 3.8Å; F244-F282 AromaticContact CZ-CZ 3.98Å; F244-F282 HydrophobicContact CZ-CZ 3.98Å; F244-F457 AromaticContact CE1-CE2 3.95Å; F244-F457 HydrophobicContact CE1-CE2 3.95Å; F244-F457 HydrophobicContact CE1-CZ 4.29Å; F244-F457 AromaticContact CZ-CE2 3.91Å; F244-F457 HydrophobicContact CZ-CE2 3.91Å; F244-F457 HydrophobicContact CZ-CZ 4.19Å; F244-M467 HydrophobicContact CD1-CE 4.02Å; F244-M467 HydrophobicContact CE1-CE 3.43Å; F244-M467 VanDerWaalsContact CE1-CE 3.43Å; F244-M467 HydrophobicContact CZ-CE 4.12Å
245	A	83.3	Confident	88.8	Confident	60 Å²	60	59.3 Å²	59.3	50%	0.496	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-30.8	-179.9	0	0	0	0	0	113.3	M241	M241-A245 PolarHBondContact O-N 3.39Å
246	S	84.3	Confident	88.7	Confident	65 Å²	65	58.2 Å²	58.2	46%	0.455	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-7.7	177.9	55.7	0	0	0	0	114.1	F244	F244-S246 PolarHBondContact O-N 2.81Å
247	W	86.3	Confident	88.4	Confident	7 Å²	7	58.5 Å²	58.5	3%	0.027	30%	0.296	C	S	.	.	S	Bend	trans	-77.9	144.1	-176.7	-76.4	27.8	0	0	0	111.5	R239 F244 K251 L255 L460 I461 M467	R239-W247 PolarHBondContact NH1-O 3.2Å; F244-W247 HydrophobicContact CB-CG 4.49Å; F244-W247 AromaticContact CD1-CD2 3.81Å; F244-W247 HydrophobicContact CD1-CD2 3.81Å; F244-W247 AromaticContact CD1-CE2 3.89Å; F244-W247 AromaticContact CD1-CE3 3.99Å; F244-W247 HydrophobicContact CD1-CE3 3.99Å; F244-W247 HydrophobicContact CD1-CG 4.31Å; F244-W247 HydrophobicContact CD1-CH2 4.36Å; F244-W247 HydrophobicContact CD1-CZ2 4.18Å; F244-W247 HydrophobicContact CD1-CZ3 4.27Å; F244-W247 HydrophobicContact CE1-CH2 4.16Å; F244-W247 HydrophobicContact CE1-CZ2 4.17Å; F244-W247 HydrophobicContact CE1-CZ3 4.34Å; F244-W247 WeakPolarHBondContact O-CB 3.43Å; F244-W247 PolarHBondContact O-N 3.26Å; F244-W247 VanDerWaalsContact O-N 3.07Å; W247-K251 HydrophobicContact CE3-CB 3.96Å; W247-K251 HydrophobicContact CZ3-CB 4.49Å; W247-L255 HydrophobicContact CH2-CD1 4.3Å; W247-L255 HydrophobicContact CZ3-CB 4.24Å; W247-L255 HydrophobicContact CZ3-CD1 4.08Å; W247-L460 HydrophobicContact CH2-CB 3.86Å; W247-L460 HydrophobicContact CZ3-CB 4.45Å; W247-I461 HydrophobicContact CH2-CG1 4.38Å; W247-I461 HydrophobicContact CZ2-CG1 3.97Å; W247-M467 HydrophobicContact CZ2-CE 4.02Å; W247-M467 HydrophobicContact CZ2-SD 3.62Å
248	S	89.7	Confident	88.1	Confident	55 Å²	55	62 Å²	62	39%	0.385	31%	0.313	S	S	.	.			trans	-69.5	152.5	169.2	66.9	0	0	0	0	110.6	E250 K251 L252	S248-E250 PolarHBondContact O-N 2.78Å; S248-K251 PolarHBondContact O-N 2.88Å; S248-K251 PolarHBondContact OG-N 2.95Å; S248-L252 PolarHBondContact O-N 3.1Å
249	D	91.1	Very high	87.9	Confident	79 Å²	79	62.2 Å²	62.2	42%	0.422	32%	0.315	S	S	.	.	H	α-helix	trans	-60.1	-33	179.6	-65.8	-0.4	0	0	0	111.4	F235 R239 L252 W253	F235-D249 HydrophobicContact CE2-CB 4.32Å; F235-D249 HydrophobicContact CZ-CB 4.06Å; R239-D249 IonicContact CZ-OD1 2.9Å; R239-D249 IonicContact NH1-OD1 3.94Å; R239-D249 PolarHBondContact NH1-OD1 2.62Å; R239-D249 IonicContact NH2-OD1 3.68Å; R239-D249 PolarHBondContact NH2-OD1 3.17Å; D249-L252 PolarHBondContact O-N 3.25Å; D249-W253 PolarHBondContact O-N 2.78Å
250	E	89.9	Confident	87.7	Confident	153 Å²	153	61.9 Å²	61.9	72%	0.715	32%	0.316	S	S	*	.	H	α-helix	trans	-62.8	-49.8	175.9	-66.1	168.5	-178.3	0	0	112.4	S248 L252 W253 Q254	S248-E250 PolarHBondContact O-N 2.78Å; E250-L252 VanDerWaalsContact C-N 3.27Å; E250-L252 PolarHBondContact O-N 2.92Å; E250-W253 PolarHBondContact O-N 3.21Å; E250-Q254 WeakPolarHBondContact O-CG 3.44Å; E250-Q254 PolarHBondContact O-N 2.9Å; E250-Q254 VanDerWaalsContact O-N 3.1Å
251	K	87.9	Confident	87.6	Confident	61 Å²	61	55.2 Å²	55.2	27%	0.265	29%	0.288	S	S	.	.	H	α-helix	trans	-61	-39.7	175.3	-77.3	-174.3	172.1	-172.9	0	110.8	W247 S248 Q254 L255 D464	W247-K251 HydrophobicContact CE3-CB 3.96Å; W247-K251 HydrophobicContact CZ3-CB 4.49Å; S248-K251 PolarHBondContact O-N 2.88Å; S248-K251 PolarHBondContact OG-N 2.95Å; K251-Q254 WeakPolarHBondContact O-CB 3.36Å; K251-Q254 PolarHBondContact O-N 2.83Å; K251-L255 PolarHBondContact O-N 3.01Å; K251-D464 IonicContact NZ-OD1 3.18Å; K251-D464 IonicContact NZ-OD2 3.75Å; K251-D464 PolarHBondContact NZ-OD2 3.46Å
252	L	90.8	Very high	87.7	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66.5	-40.2	179.4	-163.3	61.9	0	0	0	112.1	F235 F238 R239 F244 S248 D249 E250 Q254 L255 V256	F235-L252 HydrophobicContact CD2-CB 4.25Å; F235-L252 HydrophobicContact CD2-CD2 3.86Å; F235-L252 HydrophobicContact CD2-CG 3.93Å; F235-L252 HydrophobicContact CE1-CD2 4.36Å; F235-L252 HydrophobicContact CE2-CB 3.83Å; F235-L252 HydrophobicContact CE2-CD2 3.62Å; F235-L252 HydrophobicContact CE2-CG 3.89Å; F235-L252 HydrophobicContact CG-CD2 4.35Å; F235-L252 HydrophobicContact CZ-CD2 3.88Å; F238-L252 HydrophobicContact CB-CD1 3.57Å; F238-L252 HydrophobicContact CB-CD2 4.45Å; F238-L252 HydrophobicContact CB-CG 4.31Å; F238-L252 HydrophobicContact CG-CD1 4.37Å; R239-L252 HydrophobicContact CB-CD2 4Å; F244-L252 HydrophobicContact CB-CD1 4.14Å; F244-L252 HydrophobicContact CG-CD1 4.37Å; S248-L252 PolarHBondContact O-N 3.1Å; D249-L252 PolarHBondContact O-N 3.25Å; E250-L252 VanDerWaalsContact C-N 3.27Å; E250-L252 PolarHBondContact O-N 2.92Å; L252-Q254 VanDerWaalsContact C-N 3.33Å; L252-Q254 PolarHBondContact O-N 2.84Å; L252-L255 HydrophobicContact CD1-CD2 4.16Å; L252-L255 WeakPolarHBondContact O-CB 3.43Å; L252-L255 PolarHBondContact O-N 3.12Å; L252-V256 WeakPolarHBondContact O-CG2 3.35Å; L252-V256 PolarHBondContact O-N 3.43Å
253	W	91.1	Very high	88	Confident	82 Å²	82	52.2 Å²	52.2	31%	0.311	27%	0.267	S	S	.	.	H	α-helix	trans	-63.5	-37	173.4	-85.2	115.7	0	0	0	112.7	A231 F235 D249 E250 V256 N257	A231-W253 HydrophobicContact CB-CZ3 3.98Å; F235-W253 HydrophobicContact CB-CH2 4.14Å; F235-W253 HydrophobicContact CB-CZ2 4.25Å; F235-W253 HydrophobicContact CB-CZ3 4.42Å; F235-W253 AromaticContact CD2-CD1 3.96Å; F235-W253 AromaticContact CD2-CD2 3.74Å; F235-W253 HydrophobicContact CD2-CD2 3.74Å; F235-W253 AromaticContact CD2-CE2 3.52Å; F235-W253 HydrophobicContact CD2-CE3 4.32Å; F235-W253 HydrophobicContact CD2-CG 4.02Å; F235-W253 HydrophobicContact CD2-CH2 4.48Å; F235-W253 AromaticContact CD2-CZ2 3.93Å; F235-W253 HydrophobicContact CD2-CZ2 3.93Å; F235-W253 AromaticContact CD2-NE1 3.66Å; F235-W253 AromaticContact CE2-CD1 3.56Å; F235-W253 HydrophobicContact CE2-CD2 4.15Å; F235-W253 AromaticContact CE2-CE2 3.78Å; F235-W253 HydrophobicContact CE2-CG 4.02Å; F235-W253 HydrophobicContact CE2-CZ2 4.45Å; F235-W253 AromaticContact CE2-NE1 3.38Å; F235-W253 HydrophobicContact CG-CH2 4.41Å; F235-W253 HydrophobicContact CG-CZ2 4.02Å; D249-W253 PolarHBondContact O-N 2.78Å; E250-W253 PolarHBondContact O-N 3.21Å; W253-V256 HydrophobicContact CE3-CB 4.28Å; W253-V256 HydrophobicContact CE3-CG1 4.21Å; W253-V256 HydrophobicContact CZ3-CG1 4.14Å; W253-V256 PolarHBondContact O-N 2.9Å; W253-N257 WeakPolarHBondContact O-CB 3.22Å; W253-N257 VanDerWaalsContact O-CG 3.25Å; W253-N257 PolarHBondContact O-N 2.97Å; W253-N257 PolarHBondContact O-ND2 3.13Å
254	Q	88.4	Confident	88.2	Confident	107 Å²	107	53 Å²	53	50%	0.5	27%	0.27	S	S	.	.	H	α-helix	trans	-61.1	-44.7	172.6	-69.5	177.3	-13.8	0	0	111.4	E250 K251 L252 V256 N257 M258	E250-Q254 WeakPolarHBondContact O-CG 3.44Å; E250-Q254 PolarHBondContact O-N 2.9Å; E250-Q254 VanDerWaalsContact O-N 3.1Å; K251-Q254 WeakPolarHBondContact O-CB 3.36Å; K251-Q254 PolarHBondContact O-N 2.83Å; L252-Q254 VanDerWaalsContact C-N 3.33Å; L252-Q254 PolarHBondContact O-N 2.84Å; Q254-V256 PolarHBondContact O-N 2.7Å; Q254-N257 PolarHBondContact O-N 3.3Å; Q254-M258 WeakPolarHBondContact O-CG 3.36Å; Q254-M258 PolarHBondContact O-N 3.32Å
255	L	88.9	Confident	88.3	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.8	-47.8	174.8	-171.5	89.1	0	0	0	111.5	F238 F244 W247 K251 L252 N257 M258 S259 I452 F457 L460	F238-L255 HydrophobicContact CB-CD2 4.48Å; F238-L255 HydrophobicContact CD1-CD2 3.86Å; F238-L255 HydrophobicContact CD2-CD2 3.8Å; F238-L255 HydrophobicContact CE1-CD2 3.9Å; F238-L255 HydrophobicContact CE2-CD2 3.85Å; F238-L255 HydrophobicContact CE2-CG 4.5Å; F238-L255 HydrophobicContact CG-CD2 3.81Å; F238-L255 HydrophobicContact CZ-CD2 3.9Å; F244-L255 HydrophobicContact CE1-CD2 4.13Å; F244-L255 HydrophobicContact CE2-CD2 4.47Å; F244-L255 HydrophobicContact CZ-CD2 4.08Å; W247-L255 HydrophobicContact CH2-CD1 4.3Å; W247-L255 HydrophobicContact CZ3-CB 4.24Å; W247-L255 HydrophobicContact CZ3-CD1 4.08Å; K251-L255 PolarHBondContact O-N 3.01Å; L252-L255 HydrophobicContact CD1-CD2 4.16Å; L252-L255 WeakPolarHBondContact O-CB 3.43Å; L252-L255 PolarHBondContact O-N 3.12Å; L255-N257 VanDerWaalsContact C-N 3.35Å; L255-N257 PolarHBondContact O-N 2.76Å; L255-M258 PolarHBondContact O-N 2.87Å; L255-S259 WeakPolarHBondContact O-CB 3.33Å; L255-S259 PolarHBondContact O-N 3.02Å; L255-I452 HydrophobicContact CD1-CD1 3.64Å; L255-I452 HydrophobicContact CD2-CD1 4.11Å; L255-I452 HydrophobicContact CG-CD1 3.7Å; L255-F457 HydrophobicContact CD1-CD2 3.69Å; L255-F457 HydrophobicContact CD1-CE2 3.91Å; L255-L460 HydrophobicContact CB-CD1 4.48Å; L255-L460 HydrophobicContact CD1-CD1 4Å
256	V	90.2	Very high	88.6	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-58.9	-45.7	179	170.2	0	0	0	0	111	A231 R234 F235 F238 L252 W253 Q254 M258 S259	A231-V256 HydrophobicContact CB-CG1 4.06Å; A231-V256 WeakPolarHBondContact O-CG1 3.28Å; R234-V256 HydrophobicContact CB-CG1 4.08Å; R234-V256 HydrophobicContact CB-CG2 4.25Å; R234-V256 PolarHBondContact NH1-O 3.09Å; F235-V256 HydrophobicContact CB-CG2 4.04Å; F235-V256 HydrophobicContact CD2-CG2 4.45Å; F238-V256 HydrophobicContact CD2-CG2 3.79Å; F238-V256 HydrophobicContact CE2-CG2 4.13Å; L252-V256 WeakPolarHBondContact O-CG2 3.35Å; L252-V256 PolarHBondContact O-N 3.43Å; W253-V256 HydrophobicContact CE3-CB 4.28Å; W253-V256 HydrophobicContact CE3-CG1 4.21Å; W253-V256 HydrophobicContact CZ3-CG1 4.14Å; W253-V256 PolarHBondContact O-N 2.9Å; Q254-V256 PolarHBondContact O-N 2.7Å; V256-M258 PolarHBondContact O-N 3.36Å; V256-S259 PolarHBondContact O-N 3.39Å; V256-S259 VanDerWaalsContact O-N 3.12Å; V256-S259 PolarHBondContact O-OG 3.46Å
257	N	86.9	Confident	88.7	Confident	96 Å²	96	60.6 Å²	60.6	51%	0.513	30%	0.3	S	S	.	.	H	α-helix	trans	-63.7	-29.9	179.7	-71.5	-19.9	0	0	0	113.2	W253 Q254 L255	W253-N257 WeakPolarHBondContact O-CB 3.22Å; W253-N257 VanDerWaalsContact O-CG 3.25Å; W253-N257 PolarHBondContact O-N 2.97Å; W253-N257 PolarHBondContact O-ND2 3.13Å; Q254-N257 PolarHBondContact O-N 3.3Å; L255-N257 VanDerWaalsContact C-N 3.35Å; L255-N257 PolarHBondContact O-N 2.76Å
258	M	85	Confident	88.8	Confident	96 Å²	96	62.5 Å²	62.5	47%	0.473	31%	0.309	S	S	.	.	H	α-helix	trans	-88	-10.3	178	-64.2	-61.7	-134.4	0	0	113.5	Q254 L255 V256 I456	Q254-M258 WeakPolarHBondContact O-CG 3.36Å; Q254-M258 PolarHBondContact O-N 3.32Å; L255-M258 PolarHBondContact O-N 2.87Å; V256-M258 PolarHBondContact O-N 3.36Å; M258-I456 HydrophobicContact CB-CG2 4.16Å; M258-I456 HydrophobicContact CE-CD1 4.03Å; M258-I456 HydrophobicContact CE-CG2 4Å; M258-I456 HydrophobicContact CG-CG2 3.98Å; M258-I456 HydrophobicContact SD-CD1 4.37Å
259	S	88.2	Confident	88.8	Confident	4 Å²	4	63.7 Å²	63.7	3%	0.028	31%	0.311	C	S	.	.			trans	-87.7	150.9	179.9	76.6	0	0	0	0	112.4	R234 L255 V256 R451	R234-S259 PolarHBondContact NH1-O 2.95Å; R234-S259 PolarHBondContact NH1-OG 2.88Å; L255-S259 WeakPolarHBondContact O-CB 3.33Å; L255-S259 PolarHBondContact O-N 3.02Å; V256-S259 PolarHBondContact O-N 3.39Å; V256-S259 VanDerWaalsContact O-N 3.12Å; V256-S259 PolarHBondContact O-OG 3.46Å; S259-R451 CarbonylContact C-O 3.53Å; S259-R451 WeakPolarHBondContact CA-O 3.29Å
260	K	86.8	Confident	88.6	Confident	99 Å²	99	60.6 Å²	60.6	43%	0.43	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.5	173.7	-66.3	-164.2	175.4	-138.6	0	111	E189 I450 R451	E189-K260 IonicContact OE2-NZ 2.61Å; E189-K260 PolarHBondContact OE2-NZ 3.18Å; K260-I450 CarbonylContact O-C 3.59Å; K260-I450 WeakPolarHBondContact O-CA 3.42Å; K260-R451 PolarHBondContact N-O 2.98Å; K260-R451 PolarHBondContact O-N 3.03Å
261	I	89.4	Confident	88.5	Confident	25 Å²	25	54.6 Å²	54.6	13%	0.128	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	135.4	172.1	-53.2	-177.2	0	0	0	108.2	R234 L449 I450	R234-I261 HydrophobicContact CG-CD1 3.79Å; R234-I261 HydrophobicContact CG-CG1 4.06Å; I261-L449 CarbonylContact C-O 3.56Å; I261-L449 WeakPolarHBondContact CA-O 3.05Å; I261-I450 HydrophobicContact CG1-CG1 4.39Å
262	E	89.5	Confident	88.3	Confident	37 Å²	37	59.4 Å²	59.4	17%	0.173	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140.7	169.8	-63.4	-175.9	-178.6	0	0	110.3	N119 F264 L449 R451	N119-E262 WeakPolarHBondContact OD1-CA 3.36Å; E262-F264 HydrophobicContact CB-CD2 4.41Å; E262-F264 HydrophobicContact CB-CE2 3.61Å; E262-F264 HydrophobicContact CB-CZ 4.26Å; E262-F264 WeakPolarHBondContact OE2-CE2 3.45Å; E262-F264 WeakPolarHBondContact OE2-CZ 3.33Å; E262-L449 HydrophobicContact CB-CD1 3.96Å; E262-L449 HydrophobicContact CB-CG 4.32Å; E262-L449 PolarHBondContact N-O 3.17Å; E262-L449 PolarHBondContact O-N 3.5Å; E262-R451 WeakPolarHBondContact OE1-CD 3.33Å; E262-R451 IonicContact OE1-CZ 3.39Å; E262-R451 IonicContact OE1-NE 2.72Å; E262-R451 IonicContact OE1-NH1 3.46Å; E262-R451 PolarHBondContact OE1-NH1 3.35Å; E262-R451 WeakPolarHBondContact OE2-CD 3.42Å; E262-R451 IonicContact OE2-CZ 2.61Å; E262-R451 IonicContact OE2-NE 3.7Å; E262-R451 PolarHBondContact OE2-NE 3.45Å; E262-R451 VanDerWaalsContact OE2-NE 3.17Å; E262-R451 IonicContact OE2-NH1 3.58Å; E262-R451 PolarHBondContact OE2-NH1 3.07Å; E262-R451 IonicContact OE2-NH2 2.89Å
263	R	89.5	Confident	88.1	Confident	62 Å²	62	60.7 Å²	60.7	23%	0.234	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129	-178.9	-61.9	-166.8	170.8	88	9.1	109.5	N119 Y120 E448	N119-R263 VanDerWaalsContact C-NH1 3.33Å; N119-R263 PolarHBondContact O-NH1 3.41Å; N119-R263 PolarHBondContact OD1-N 2.86Å; Y120-R263 PolarHBondContact O-NH1 3.13Å; R263-E448 HydrophobicContact CG-CG 4.12Å; R263-E448 IonicContact CZ-OE1 3.66Å; R263-E448 IonicContact NE-OE1 2.84Å; R263-E448 PolarHBondContact NE-OE1 3.35Å; R263-E448 IonicContact NH2-OE1 3.89Å
264	F	89.2	Confident	87.6	Confident	26 Å²	26	56.8 Å²	56.8	11%	0.114	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	139.6	177.4	-64.1	-96.4	0	0	0	110.6	E262 Q268 I270 S444 G446 N447 L449	E262-F264 HydrophobicContact CB-CD2 4.41Å; E262-F264 HydrophobicContact CB-CE2 3.61Å; E262-F264 HydrophobicContact CB-CZ 4.26Å; E262-F264 WeakPolarHBondContact OE2-CE2 3.45Å; E262-F264 WeakPolarHBondContact OE2-CZ 3.33Å; F264-Q268 HydrophobicContact CB-CB 4.42Å; F264-Q268 HydrophobicContact CD1-CB 4.44Å; F264-Q268 HydrophobicContact CD1-CG 3.96Å; F264-I270 HydrophobicContact CB-CG1 4.37Å; F264-I270 HydrophobicContact CD1-CG1 3.87Å; F264-I270 HydrophobicContact CD2-CG1 4.08Å; F264-I270 HydrophobicContact CE1-CB 4.48Å; F264-I270 HydrophobicContact CE1-CG1 4.17Å; F264-I270 HydrophobicContact CE2-CG1 4.38Å; F264-I270 HydrophobicContact CE2-CG2 4.31Å; F264-I270 HydrophobicContact CG-CG1 3.84Å; F264-I270 HydrophobicContact CZ-CG1 4.42Å; F264-I270 HydrophobicContact CZ-CG2 4.16Å; F264-S444 WeakPolarHBondContact CB-OG 3.4Å; F264-S444 PolarHBondContact O-OG 3.32Å; F264-G446 WeakPolarHBondContact O-CA 3.44Å; F264-N447 WeakPolarHBondContact CB-OD1 3.49Å; F264-N447 PolarHBondContact N-O 3.37Å; F264-N447 PolarHBondContact O-N 3.3Å; F264-N447 VanDerWaalsContact O-N 3.16Å; F264-L449 HydrophobicContact CD2-CD2 3.52Å; F264-L449 HydrophobicContact CD2-CG 3.97Å; F264-L449 HydrophobicContact CE2-CD1 4.05Å; F264-L449 HydrophobicContact CE2-CD2 3.33Å; F264-L449 HydrophobicContact CE2-CG 3.7Å; F264-L449 HydrophobicContact CZ-CD2 4.34Å
265	S	88.3	Confident	86.9	Confident	62 Å²	62	52.2 Å²	52.2	43%	0.434	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	160.5	174.4	58.6	0	0	0	0	111.6	G267 Q268 S444	S265-G267 PolarHBondContact O-N 3.29Å; S265-Q268 WeakPolarHBondContact O-CB 3.43Å; S265-Q268 PolarHBondContact O-N 3.29Å; S265-Q268 VanDerWaalsContact O-N 3.09Å; S265-Q268 PolarHBondContact OG-OE1 3.08Å; S265-S444 WeakPolarHBondContact O-CB 3.49Å; S265-S444 PolarHBondContact O-OG 3.25Å
266	Y	90.1	Very high	86.3	Confident	177 Å²	177	59.8 Å²	59.8	69%	0.694	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.7	129.9	178.3	-178.1	-84.6	0	0	0	111.8	Q268 L445	Y266-Q268 VanDerWaalsContact C-N 3.27Å; Y266-Q268 PolarHBondContact O-N 2.9Å; Y266-L445 HydrophobicContact CD2-CB 4.11Å; Y266-L445 HydrophobicContact CD2-CD2 4.24Å; Y266-L445 WeakPolarHBondContact CD2-O 3.49Å; Y266-L445 HydrophobicContact CE2-CB 4.11Å; Y266-L445 HydrophobicContact CE2-CD2 3.61Å; Y266-L445 HydrophobicContact CE2-CG 4.43Å
267	G	86.3	Confident	85.8	Confident	44 Å²	44	60.8 Å²	60.8	45%	0.454	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	79.9	1.6	-179.6	0	0	0	0	0	114.6	S265 S444	S265-G267 PolarHBondContact O-N 3.29Å; G267-S444 PolarHBondContact N-O 3.16Å
268	Q	88.3	Confident	85.7	Confident	48 Å²	48	59.7 Å²	59.7	22%	0.224	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	135.6	176.9	-167.6	175.9	-14.4	0	0	110.9	F264 S265 Y266 I270 S444	F264-Q268 HydrophobicContact CB-CB 4.42Å; F264-Q268 HydrophobicContact CD1-CB 4.44Å; F264-Q268 HydrophobicContact CD1-CG 3.96Å; S265-Q268 WeakPolarHBondContact O-CB 3.43Å; S265-Q268 PolarHBondContact O-N 3.29Å; S265-Q268 VanDerWaalsContact O-N 3.09Å; S265-Q268 PolarHBondContact OG-OE1 3.08Å; Y266-Q268 VanDerWaalsContact C-N 3.27Å; Y266-Q268 PolarHBondContact O-N 2.9Å; Q268-I270 PolarHBondContact O-N 3.05Å; Q268-S444 WeakPolarHBondContact O-CB 3.25Å; Q268-S444 PolarHBondContact O-N 3.03Å
269	L	88.7	Confident	85.8	Confident	80 Å²	80	58.9 Å²	58.9	42%	0.419	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	120.9	176	-179.8	67.2	0	0	0	110.1	S271 K272 I441 M443	L269-S271 WeakPolarHBondContact CD1-O 3.31Å; L269-K272 HydrophobicContact CD2-CG 3.78Å; L269-I441 HydrophobicContact CD1-CG2 3.52Å; L269-M443 HydrophobicContact CD1-CG 4.38Å
270	I	87.7	Confident	85.8	Confident	14 Å²	14	58.7 Å²	58.7	7%	0.072	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-49.1	178.7	-62.5	167.4	0	0	0	110.3	F264 Q268 M281 C288 L442 L449 R451	F264-I270 HydrophobicContact CB-CG1 4.37Å; F264-I270 HydrophobicContact CD1-CG1 3.87Å; F264-I270 HydrophobicContact CD2-CG1 4.08Å; F264-I270 HydrophobicContact CE1-CB 4.48Å; F264-I270 HydrophobicContact CE1-CG1 4.17Å; F264-I270 HydrophobicContact CE2-CG1 4.38Å; F264-I270 HydrophobicContact CE2-CG2 4.31Å; F264-I270 HydrophobicContact CG-CG1 3.84Å; F264-I270 HydrophobicContact CZ-CG1 4.42Å; F264-I270 HydrophobicContact CZ-CG2 4.16Å; Q268-I270 PolarHBondContact O-N 3.05Å; I270-M281 HydrophobicContact CG2-SD 3.84Å; I270-C288 VanDerWaalsContact CD1-SG 3.54Å; I270-L442 HydrophobicContact CB-CB 4.25Å; I270-L442 HydrophobicContact CB-CD2 4.04Å; I270-L442 HydrophobicContact CB-CG 4.1Å; I270-L442 WeakPolarHBondContact CB-O 3.41Å; I270-L442 HydrophobicContact CD1-CD2 4.04Å; I270-L442 HydrophobicContact CD1-CG 3.97Å; I270-L442 HydrophobicContact CG2-CD2 3.82Å; I270-L442 HydrophobicContact CG2-CG 4.43Å; I270-L442 PolarHBondContact N-O 3.25Å; I270-L449 HydrophobicContact CD1-CD2 3.86Å; I270-L449 HydrophobicContact CG1-CD2 4.25Å; I270-L449 HydrophobicContact CG2-CD2 3.69Å; I270-R451 PolarHBondContact O-NH2 3.17Å
271	S	86.8	Confident	86	Confident	27 Å²	27	54.2 Å²	54.2	19%	0.189	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	143.4	173.5	-168.1	0	0	0	0	110.8	L269 D273 L442	L269-S271 WeakPolarHBondContact CD1-O 3.31Å; S271-D273 VanDerWaalsContact OG-C 3.23Å; S271-D273 PolarHBondContact OG-N 2.82Å; S271-D273 PolarHBondContact OG-O 3.46Å; S271-L442 PolarHBondContact N-O 2.9Å; S271-L442 PolarHBondContact O-N 3.13Å
272	K	85.1	Confident	86.1	Confident	161 Å²	161	53 Å²	53	70%	0.7	27%	0.273	S	S	*	.	S	Bend	trans	-71.9	-36.4	170.8	-70.4	-179.1	-179.9	178.3	0	111.7	L269 I441	L269-K272 HydrophobicContact CD2-CG 3.78Å; K272-I441 WeakPolarHBondContact O-CG1 3.46Å
273	D	84.9	Confident	86.2	Confident	27 Å²	27	51.3 Å²	51.3	14%	0.144	27%	0.265	C	S	.	.			trans	-143	113.3	171.3	-165.9	-12.9	0	0	0	108.5	S271 G275 P439 L440	S271-D273 VanDerWaalsContact OG-C 3.23Å; S271-D273 PolarHBondContact OG-N 2.82Å; S271-D273 PolarHBondContact OG-O 3.46Å; D273-G275 PolarHBondContact OD1-N 2.75Å; D273-P439 HydrophobicContact CB-CB 4.37Å; D273-P439 WeakPolarHBondContact OD2-CA 3.49Å; D273-L440 VanDerWaalsContact CA-O 3.26Å; D273-L440 WeakPolarHBondContact CA-O 3.29Å; D273-L440 PolarHBondContact OD1-N 3.38Å
274	F	81.4	Confident	86.2	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-89.3	-12.2	175.6	68.8	-93	0	0	0	113.4	S277 M281 V290 L423 H426 L440 L442 F478	F274-S277 PolarHBondContact O-N 3.07Å; F274-S277 PolarHBondContact O-OG 3.42Å; F274-M281 HydrophobicContact CB-CE 3.58Å; F274-M281 HydrophobicContact CG-CE 4.34Å; F274-V290 HydrophobicContact CE1-CB 4.42Å; F274-V290 HydrophobicContact CE1-CG1 3.79Å; F274-V290 HydrophobicContact CE1-CG2 3.88Å; F274-V290 HydrophobicContact CZ-CG1 3.93Å; F274-V290 HydrophobicContact CZ-CG2 3.88Å; F274-L423 HydrophobicContact CD2-CB 4.4Å; F274-L423 HydrophobicContact CE2-CD2 4.3Å; F274-H426 AromaticContact CD2-CE1 3.28Å; F274-H426 WeakPolarHBondContact CD2-CE1 3.32Å; F274-H426 AromaticContact CD2-ND1 3.96Å; F274-H426 AromaticContact CD2-NE2 3.86Å; F274-H426 AromaticContact CE2-CE1 3.19Å; F274-H426 WeakPolarHBondContact CE2-CE1 3.4Å; F274-H426 AromaticContact CE2-ND1 3.63Å; F274-H426 AromaticContact CE2-NE2 3.47Å; F274-H426 WeakPolarHBondContact CE2-NE2 3.37Å; F274-L440 HydrophobicContact CD1-CB 3.85Å; F274-L440 WeakPolarHBondContact CD1-O 3.44Å; F274-L440 HydrophobicContact CE1-CB 3.33Å; F274-L440 HydrophobicContact CE1-CD1 4.35Å; F274-L440 HydrophobicContact CE1-CG 4.41Å; F274-L440 HydrophobicContact CE2-CB 4.5Å; F274-L440 HydrophobicContact CE2-CD1 4.31Å; F274-L440 HydrophobicContact CZ-CB 3.68Å; F274-L440 HydrophobicContact CZ-CD1 3.81Å; F274-L440 HydrophobicContact CZ-CG 4.35Å; F274-L440 PolarHBondContact N-O 3.45Å; F274-L442 HydrophobicContact CD1-CB 3.77Å; F274-L442 HydrophobicContact CE1-CB 4.31Å; F274-F478 HydrophobicContact CZ-CZ 4.34Å
275	G	74.6	Confident	86.3	Confident	11 Å²	11	51.4 Å²	51.4	11%	0.113	27%	0.267	C	S	.	.	S	Bend	trans	-61.2	-54.7	171.3	0	0	0	0	0	110.9	D273 S277 K454	D273-G275 PolarHBondContact OD1-N 2.75Å; G275-S277 PolarHBondContact O-N 2.8Å; G275-K454 PolarHBondContact O-NZ 2.83Å
276	E	75.6	Confident	86.4	Confident	159 Å²	159	50.1 Å²	50.1	74%	0.743	26%	0.264	S	S	*	.	S	Bend	trans	-74.7	-9.5	178.9	-63.8	-172.8	162.5	0	0	114.2
277	S	80.6	Confident	86.5	Confident	22 Å²	22	43.4 Å²	43.4	15%	0.154	24%	0.243	C	C	.	.			trans	-64.6	140.9	-177	73.1	0	0	0	0	111.9	F274 G275 F279 K454	F274-S277 PolarHBondContact O-N 3.07Å; F274-S277 PolarHBondContact O-OG 3.42Å; G275-S277 PolarHBondContact O-N 2.8Å; S277-F279 PolarHBondContact O-N 3.34Å; S277-F279 VanDerWaalsContact O-N 3.13Å; S277-F279 PolarHBondContact OG-O 3.45Å; S277-K454 WeakPolarHBondContact O-CD 3.46Å; S277-K454 WeakPolarHBondContact O-CE 3.32Å; S277-K454 PolarHBondContact O-NZ 2.96Å
278	S	83.2	Confident	86.7	Confident	72 Å²	72	41.3 Å²	41.3	50%	0.503	22%	0.221	S	C	.	.	S	Bend	trans	-74.3	5.8	175.8	-42.9	0	0	0	0	113.5	R453 K454	S278-R453 WeakPolarHBondContact O-CA 3.41Å; S278-K454 PolarHBondContact O-N 2.6Å
279	F	87.3	Confident	86.8	Confident	80 Å²	80	41 Å²	41	35%	0.351	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	146.5	-172.6	-60.5	-83.4	0	0	0	111.7	S277 R451 I452 R453	S277-F279 PolarHBondContact O-N 3.34Å; S277-F279 VanDerWaalsContact O-N 3.13Å; S277-F279 PolarHBondContact OG-O 3.45Å; F279-R451 HydrophobicContact CB-CG 4.41Å; F279-R451 HydrophobicContact CD1-CB 4.5Å; F279-I452 CarbonylContact C-O 3.57Å; F279-I452 WeakPolarHBondContact CA-O 3.23Å; F279-R453 HydrophobicContact CD1-CG 3.88Å; F279-R453 HydrophobicContact CE1-CG 3.56Å; F279-R453 HydrophobicContact CZ-CG 4.49Å
280	I	89.2	Confident	86.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	136.6	166.6	-60	165.8	0	0	0	106.5	F282 I422 L423 L425 R451 I452 K454 F457 Y458	I280-F282 HydrophobicContact CB-CE2 4.3Å; I280-F282 HydrophobicContact CG2-CD2 4.25Å; I280-F282 HydrophobicContact CG2-CE2 3.54Å; I280-F282 HydrophobicContact CG2-CZ 3.81Å; I280-I422 HydrophobicContact CG2-CG2 3.7Å; I280-L423 WeakPolarHBondContact CG2-O 3.32Å; I280-L425 HydrophobicContact CD1-CD2 3.54Å; I280-L425 HydrophobicContact CD1-CG 4.12Å; I280-L425 HydrophobicContact CG1-CD2 3.96Å; I280-L425 HydrophobicContact CG1-CG 4.2Å; I280-L425 HydrophobicContact CG2-CD1 4.2Å; I280-L425 HydrophobicContact CG2-CG 4.04Å; I280-R451 CarbonylContact O-C 3.54Å; I280-R451 WeakPolarHBondContact O-CA 3.41Å; I280-I452 PolarHBondContact N-O 3.25Å; I280-I452 PolarHBondContact O-N 3.24Å; I280-K454 HydrophobicContact CD1-CG 4.07Å; I280-K454 HydrophobicContact CG1-CG 3.63Å; I280-F457 HydrophobicContact CD1-CB 3.6Å; I280-F457 HydrophobicContact CD1-CD1 3.08Å; I280-F457 HydrophobicContact CD1-CD2 4.36Å; I280-F457 HydrophobicContact CD1-CE1 3.69Å; I280-F457 HydrophobicContact CD1-CG 3.45Å; I280-F457 VanDerWaalsContact CD1-CG 3.45Å; I280-Y458 HydrophobicContact CD1-CE1 4.5Å
281	M	90.7	Very high	86.9	Confident	4 Å²	4	37.5 Å²	37.5	2%	0.02	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127.1	-176.2	-67.2	172.5	-73.8	0	0	109.6	I270 F274 L423 L442 L449 I450 R451	I270-M281 HydrophobicContact CG2-SD 3.84Å; F274-M281 HydrophobicContact CB-CE 3.58Å; F274-M281 HydrophobicContact CG-CE 4.34Å; M281-L423 HydrophobicContact CB-CB 4.28Å; M281-L423 HydrophobicContact CE-CB 4.3Å; M281-L423 PolarHBondContact N-O 3.07Å; M281-L423 PolarHBondContact O-N 3.44Å; M281-L442 HydrophobicContact CE-CD2 3.74Å; M281-L442 HydrophobicContact SD-CD2 3.91Å; M281-L449 HydrophobicContact CG-CD1 4.35Å; M281-I450 WeakPolarHBondContact CA-O 3.22Å; M281-R451 HydrophobicContact CG-CG 3.73Å
282	F	91.3	Very high	86.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126.6	174.1	-59.1	-101	0	0	0	108.5	F237 F238 M241 F244 I280 S284 I422 L449 I450 I452 F457	F237-F282 HydrophobicContact CE1-CB 4.13Å; F238-F282 HydrophobicContact CE1-CD1 4.01Å; F238-F282 HydrophobicContact CE1-CD2 4.07Å; F238-F282 HydrophobicContact CE1-CE1 4.25Å; F238-F282 HydrophobicContact CE1-CE2 4.33Å; F238-F282 AromaticContact CE1-CG 3.94Å; F238-F282 HydrophobicContact CE1-CG 3.94Å; F238-F282 HydrophobicContact CE1-CZ 4.42Å; M241-F282 HydrophobicContact CE-CD1 4.01Å; M241-F282 HydrophobicContact CE-CE1 4.46Å; M241-F282 HydrophobicContact SD-CD1 4.01Å; F244-F282 AromaticContact CE2-CE1 3.82Å; F244-F282 HydrophobicContact CE2-CE1 3.82Å; F244-F282 HydrophobicContact CE2-CZ 4.41Å; F244-F282 AromaticContact CZ-CE1 3.8Å; F244-F282 HydrophobicContact CZ-CE1 3.8Å; F244-F282 AromaticContact CZ-CZ 3.98Å; F244-F282 HydrophobicContact CZ-CZ 3.98Å; I280-F282 HydrophobicContact CB-CE2 4.3Å; I280-F282 HydrophobicContact CG2-CD2 4.25Å; I280-F282 HydrophobicContact CG2-CE2 3.54Å; I280-F282 HydrophobicContact CG2-CZ 3.81Å; F282-S284 PolarHBondContact O-N 3.16Å; F282-I422 HydrophobicContact CD1-CB 4.47Å; F282-I422 HydrophobicContact CD1-CD1 3.87Å; F282-I422 HydrophobicContact CD1-CG1 3.62Å; F282-I422 HydrophobicContact CD1-CG2 4.21Å; F282-I422 HydrophobicContact CE1-CD1 3.49Å; F282-I422 VanDerWaalsContact CE1-CD1 3.49Å; F282-I422 HydrophobicContact CE1-CG1 3.74Å; F282-I422 HydrophobicContact CE1-CG2 3.98Å; F282-I422 HydrophobicContact CZ-CG2 4.27Å; F282-L449 CarbonylContact O-C 3.58Å; F282-L449 VanDerWaalsContact O-CA 3.32Å; F282-L449 WeakPolarHBondContact O-CA 3.38Å; F282-I450 HydrophobicContact CB-CB 4.26Å; F282-I450 PolarHBondContact N-O 3.36Å; F282-I450 PolarHBondContact O-N 3.14Å; F282-I452 HydrophobicContact CD2-CD1 4.15Å; F282-I452 HydrophobicContact CD2-CG1 4.29Å; F282-I452 HydrophobicContact CE2-CB 4.44Å; F282-I452 HydrophobicContact CE2-CD1 3.55Å; F282-I452 HydrophobicContact CE2-CG1 3.93Å; F282-I452 HydrophobicContact CZ-CD1 4.29Å; F282-F457 AromaticContact CZ-CE2 3.96Å; F282-F457 HydrophobicContact CZ-CE2 3.96Å; F282-F457 HydrophobicContact CZ-CZ 4.09Å
283	I	91.8	Very high	86.9	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	110	178.4	-56.6	-159.7	0	0	0	109.3	F237 G286 C288 V417 G420 E421 L423	F237-I283 WeakPolarHBondContact CZ-O 3.49Å; I283-G286 WeakPolarHBondContact CG2-O 3.29Å; I283-C288 HydrophobicContact CD1-CB 4.08Å; I283-V417 HydrophobicContact CD1-CB 3.54Å; I283-V417 HydrophobicContact CD1-CG1 3.22Å; I283-V417 HydrophobicContact CG1-CG1 3.99Å; I283-G420 PolarHBondContact O-N 3.37Å; I283-E421 PolarHBondContact N-O 3.46Å; I283-E421 VanDerWaalsContact N-O 3.09Å; I283-L423 HydrophobicContact CD1-CD1 4.46Å
284	S	90.3	Very high	86.7	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.007	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-42.3	-179.9	-175.5	0	0	0	0	112.2	Y233 F282 Q419 E448	Y233-S284 PolarHBondContact OH-OG 2.86Å; F282-S284 PolarHBondContact O-N 3.16Å; S284-Q419 VanDerWaalsContact O-CD 3.28Å; S284-Q419 VanDerWaalsContact O-CG 3.25Å; S284-Q419 WeakPolarHBondContact O-CG 3.47Å; S284-Q419 PolarHBondContact O-NE2 2.84Å; S284-E448 WeakPolarHBondContact CA-O 2.84Å; S284-E448 WeakPolarHBondContact CB-O 3.37Å; S284-E448 PolarHBondContact N-O 3.43Å
285	K	90.5	Very high	86.7	Confident	89 Å²	89	36.3 Å²	36.3	39%	0.387	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	154.5	174.5	-60.2	-170.4	-163.4	128.8	0	111.1	Y233 N447 E448	Y233-K285 WeakPolarHBondContact OH-CE 3.47Å; K285-N447 CarbonylContact O-C 3.56Å; K285-N447 VanDerWaalsContact O-CA 3.23Å; K285-N447 WeakPolarHBondContact O-CA 3.34Å; K285-N447 VanDerWaalsContact O-CB 3.31Å; K285-N447 WeakPolarHBondContact O-CB 3.42Å; K285-E448 HydrophobicContact CB-CB 4.14Å; K285-E448 HydrophobicContact CB-CG 4.2Å; K285-E448 VanDerWaalsContact CD-OE2 3.22Å; K285-E448 WeakPolarHBondContact CD-OE2 3.25Å; K285-E448 WeakPolarHBondContact CE-OE2 3.26Å; K285-E448 PolarHBondContact N-O 3.43Å; K285-E448 VanDerWaalsContact N-O 3.15Å; K285-E448 IonicContact NZ-OE1 3.25Å; K285-E448 IonicContact NZ-OE2 2.72Å; K285-E448 PolarHBondContact NZ-OE2 3.47Å; K285-E448 PolarHBondContact O-N 3.18Å
286	G	90.6	Very high	86.9	Confident	36 Å²	36	35.9 Å²	35.9	37%	0.371	20%	0.195	S	C	.	.	S	Bend	trans	78.4	-162.4	179.3	0	0	0	0	0	112.4	I283	I283-G286 WeakPolarHBondContact CG2-O 3.29Å
287	S	91.3	Very high	86.8	Confident	35 Å²	35	28.4 Å²	28.4	25%	0.245	16%	0.161	C	C	.	.			trans	-140.7	159.5	-177.3	58.1	0	0	0	0	112.2	V417 L445	S287-V417 VanDerWaalsContact CA-O 3.26Å; S287-V417 WeakPolarHBondContact CA-O 3.38Å; S287-V417 WeakPolarHBondContact CB-O 3.44Å; S287-L445 WeakPolarHBondContact O-CB 3.26Å; S287-L445 PolarHBondContact O-N 3.31Å
288	C	91.8	Very high	86.7	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	158.7	173.4	-59.9	0	0	0	0	111.2	I270 I283 T416 V417 L442 M443 N447	I270-C288 VanDerWaalsContact CD1-SG 3.54Å; I283-C288 HydrophobicContact CD1-CB 4.08Å; C288-T416 CarbonylContact O-C 3.6Å; C288-T416 WeakPolarHBondContact O-CA 3.31Å; C288-V417 HydrophobicContact CB-CB 4.15Å; C288-V417 HydrophobicContact CB-CG2 4.33Å; C288-V417 PolarHBondContact N-O 3.24Å; C288-V417 PolarHBondContact O-N 2.75Å; C288-L442 HydrophobicContact CB-CD1 3.59Å; C288-L442 HydrophobicContact CB-CG 4.29Å; C288-M443 CarbonylContact C-O 3.58Å; C288-M443 VanDerWaalsContact CA-O 3.29Å; C288-M443 WeakPolarHBondContact CA-O 3.16Å; C288-M443 WeakPolarHBondContact CB-O 3.39Å; C288-N447 VanDerWaalsContact SG-CG 3.55Å; C288-N447 PolarHBondContact SG-ND2 3.41Å
289	E	90.6	Very high	86.6	Confident	43 Å²	43	27.1 Å²	27.1	20%	0.201	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	128.2	166.4	-62.3	-169.7	150	0	0	109.8	L291 K413 M443 L445	E289-L291 HydrophobicContact CB-CD2 4.12Å; E289-K413 HydrophobicContact CG-CD 4.38Å; E289-K413 WeakPolarHBondContact OE1-CD 3.47Å; E289-K413 WeakPolarHBondContact OE1-CE 3.5Å; E289-K413 IonicContact OE1-NZ 3.76Å; E289-K413 PolarHBondContact OE1-NZ 2.94Å; E289-M443 PolarHBondContact N-O 3.46Å; E289-M443 PolarHBondContact O-N 3.27Å; E289-L445 HydrophobicContact CG-CD1 3.63Å; E289-L445 HydrophobicContact CG-CD2 4.08Å; E289-L445 HydrophobicContact CG-CG 3.91Å
290	V	89.2	Confident	86.4	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	115.7	166.7	174.7	0	0	0	0	107.2	F274 V414 H415 V417 L440 I441 L442 F478	F274-V290 HydrophobicContact CE1-CB 4.42Å; F274-V290 HydrophobicContact CE1-CG1 3.79Å; F274-V290 HydrophobicContact CE1-CG2 3.88Å; F274-V290 HydrophobicContact CZ-CG1 3.93Å; F274-V290 HydrophobicContact CZ-CG2 3.88Å; V290-V414 HydrophobicContact CG1-CB 4.17Å; V290-V414 HydrophobicContact CG1-CG2 4.5Å; V290-V414 PolarHBondContact O-N 3.2Å; V290-H415 HydrophobicContact CB-CB 4.22Å; V290-H415 HydrophobicContact CG2-CB 4.5Å; V290-H415 PolarHBondContact N-O 2.95Å; V290-H415 PolarHBondContact O-N 2.86Å; V290-V417 HydrophobicContact CG2-CG2 3.57Å; V290-L440 HydrophobicContact CG1-CB 4.4Å; V290-L440 HydrophobicContact CG1-CD2 3.95Å; V290-I441 CarbonylContact C-O 3.58Å; V290-I441 WeakPolarHBondContact CA-O 3.34Å; V290-L442 HydrophobicContact CG2-CD1 3.87Å; V290-F478 HydrophobicContact CG1-CE1 4.26Å; V290-F478 HydrophobicContact CG1-CZ 4.45Å
291	L	88.7	Confident	86	Confident	20 Å²	20	26.7 Å²	26.7	11%	0.105	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	146.2	177	-55.2	-174.8	0	0	0	110	E289 M412 K413 I441 M443	E289-L291 HydrophobicContact CB-CD2 4.12Å; L291-M412 CarbonylContact C-O 3.47Å; L291-M412 WeakPolarHBondContact CA-O 3.19Å; L291-K413 HydrophobicContact CD2-CB 3.97Å; L291-K413 HydrophobicContact CD2-CG 4.44Å; L291-I441 HydrophobicContact CB-CB 4.18Å; L291-I441 HydrophobicContact CB-CG2 4.46Å; L291-I441 PolarHBondContact N-O 3.46Å; L291-I441 PolarHBondContact O-N 3Å; L291-M443 HydrophobicContact CD1-CE 3.48Å; L291-M443 VanDerWaalsContact CD1-CE 3.48Å; L291-M443 HydrophobicContact CD1-CG 3.79Å; L291-M443 HydrophobicContact CD1-SD 3.85Å; L291-M443 HydrophobicContact CG-CG 4.35Å
292	R	85.9	Confident	85.5	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.008	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136.5	171.6	-178.6	178.9	-71.7	-178.1	-4.6	109.4	L294 Y411 M412 V414 D436 L440 P479 D481 M484	R292-L294 HydrophobicContact CG-CD2 3.86Å; R292-Y411 CarbonylContact O-C 3.56Å; R292-Y411 WeakPolarHBondContact O-CA 3.47Å; R292-M412 PolarHBondContact N-O 3.42Å; R292-M412 PolarHBondContact O-N 2.94Å; R292-V414 HydrophobicContact CB-CG2 3.41Å; R292-V414 VanDerWaalsContact CB-CG2 3.41Å; R292-D436 IonicContact CZ-OD2 3.62Å; R292-D436 IonicContact NH1-OD2 3.36Å; R292-D436 IonicContact NH2-OD2 3.02Å; R292-D436 PolarHBondContact NH2-OD2 2.91Å; R292-L440 HydrophobicContact CB-CD2 4.33Å; R292-P479 PolarHBondContact NH1-O 2.87Å; R292-P479 VanDerWaalsContact NH1-O 3.17Å; R292-D481 WeakPolarHBondContact CD-OD1 3.12Å; R292-D481 IonicContact CZ-OD1 3.54Å; R292-D481 IonicContact NH1-OD1 2.75Å; R292-D481 PolarHBondContact NH1-OD1 3.22Å; R292-M484 VanDerWaalsContact NH1-CE 3.34Å
293	L	84.7	Confident	84.7	Confident	82 Å²	82	28.1 Å²	28.1	43%	0.429	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	117.1	170.8	-179.8	60.5	0	0	0	109	Y411	L293-Y411 HydrophobicContact CB-CD1 3.94Å; L293-Y411 HydrophobicContact CB-CE1 3.72Å; L293-Y411 HydrophobicContact CD1-CD1 4.06Å; L293-Y411 HydrophobicContact CD1-CD2 4.23Å; L293-Y411 HydrophobicContact CD1-CE1 3.87Å; L293-Y411 HydrophobicContact CD1-CE2 4.07Å; L293-Y411 HydrophobicContact CD1-CG 4.23Å; L293-Y411 HydrophobicContact CD2-CE1 4.34Å; L293-Y411 HydrophobicContact CG-CE1 4.18Å
294	L	82.5	Confident	84.1	Confident	5 Å²	5	35 Å²	35	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.5	174.1	-61.4	-171.4	0	0	0	110.4	R292 L296 G409 A410 M412 D481 M484	R292-L294 HydrophobicContact CG-CD2 3.86Å; L294-L296 PolarHBondContact O-N 2.95Å; L294-G409 CarbonylContact O-C 3.56Å; L294-G409 VanDerWaalsContact O-CA 3.25Å; L294-G409 WeakPolarHBondContact O-CA 3.39Å; L294-A410 PolarHBondContact N-O 3.07Å; L294-A410 PolarHBondContact O-N 3.19Å; L294-M412 HydrophobicContact CD1-CB 4.34Å; L294-M412 HydrophobicContact CD1-CE 3.84Å; L294-M412 HydrophobicContact CD1-CG 3.96Å; L294-M412 HydrophobicContact CD1-SD 3.42Å; L294-M412 WeakPolarHBondContact CD1-SD 3.34Å; L294-M412 HydrophobicContact CG-CG 4.33Å; L294-M412 HydrophobicContact CG-SD 4.38Å; L294-D481 HydrophobicContact CD2-CB 3.72Å; L294-D481 WeakPolarHBondContact CD2-OD1 3.43Å; L294-M484 HydrophobicContact CD1-CB 3.54Å; L294-M484 HydrophobicContact CD1-CE 4.27Å; L294-M484 HydrophobicContact CD1-SD 4.26Å; L294-M484 HydrophobicContact CD2-CE 4.16Å
295	D	80.9	Confident	83.5	Confident	101 Å²	101	36 Å²	36	54%	0.54	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	103.1	163.6	-178.8	8.3	0	0	0	108.9	G297 A298	D295-G297 PolarHBondContact O-N 2.86Å; D295-G297 PolarHBondContact OD1-N 3.38Å; D295-A298 HydrophobicContact CB-CB 4.35Å; D295-A298 PolarHBondContact O-N 2.86Å
296	L	79	Confident	82.7	Confident	1 Å²	1	32 Å²	32	1%	0.005	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-66.6	-27.8	-179.7	-60.5	174.4	0	0	0	111.4	L294 A298 S299 Y302 V408 A410 M412 C485 F488 I564	L294-L296 PolarHBondContact O-N 2.95Å; L296-A298 PolarHBondContact O-N 2.87Å; L296-S299 PolarHBondContact O-N 3.15Å; L296-Y302 HydrophobicContact CB-CD1 3.77Å; L296-Y302 HydrophobicContact CB-CD2 3.81Å; L296-Y302 HydrophobicContact CB-CE1 3.98Å; L296-Y302 HydrophobicContact CB-CE2 4.04Å; L296-Y302 HydrophobicContact CB-CG 3.68Å; L296-Y302 HydrophobicContact CD1-CD2 4.19Å; L296-Y302 HydrophobicContact CD1-CE2 3.94Å; L296-Y302 HydrophobicContact CG-CD2 4.42Å; L296-Y302 WeakPolarHBondContact O-CB 3.36Å; L296-Y302 WeakPolarHBondContact O-CD1 3.32Å; L296-V408 VanDerWaalsContact CB-O 3.26Å; L296-V408 WeakPolarHBondContact CB-O 3.2Å; L296-V408 WeakPolarHBondContact CG-O 3.31Å; L296-V408 PolarHBondContact N-O 3.28Å; L296-A410 HydrophobicContact CD1-CB 3.99Å; L296-A410 HydrophobicContact CG-CB 4.3Å; L296-M412 HydrophobicContact CD2-CE 3.63Å; L296-C485 HydrophobicContact CD2-CB 4.46Å; L296-F488 HydrophobicContact CD1-CE1 4.01Å; L296-F488 HydrophobicContact CD2-CD1 4.45Å; L296-I564 HydrophobicContact CD1-CD1 3.19Å
297	G	73.5	Confident	81.6	Confident	2 Å²	2	33.8 Å²	33.8	2%	0.021	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-64.4	-21.1	178.1	0	0	0	0	0	113.6	D295	D295-G297 PolarHBondContact O-N 2.86Å; D295-G297 PolarHBondContact OD1-N 3.38Å
298	A	77.8	Confident	80.5	Confident	58 Å²	58	37.4 Å²	37.4	48%	0.479	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-86.9	-11.7	176.4	0	0	0	0	0	113.7	D295 L296 L399	D295-A298 HydrophobicContact CB-CB 4.35Å; D295-A298 PolarHBondContact O-N 2.86Å; L296-A298 PolarHBondContact O-N 2.87Å; A298-L399 WeakPolarHBondContact O-CD1 3.16Å
299	S	81.1	Confident	79.2	Confident	10 Å²	10	38.9 Å²	38.9	7%	0.07	20%	0.195	C	C	.	.			trans	-84.5	128.1	-179.7	166.5	0	0	0	0	112	L296 S301 Y302 H303 E482 C485	L296-S299 PolarHBondContact O-N 3.15Å; S299-S301 VanDerWaalsContact C-N 3.32Å; S299-S301 PolarHBondContact O-N 3.44Å; S299-S301 PolarHBondContact OG-N 2.82Å; S299-Y302 PolarHBondContact O-N 3.07Å; S299-Y302 PolarHBondContact OG-N 2.82Å; S299-H303 PolarHBondContact O-N 3.37Å; S299-E482 WeakPolarHBondContact CB-OE2 3.46Å; S299-E482 PolarHBondContact OG-OE2 3.27Å; S299-C485 PolarHBondContact OG-SG 2.81Å; S299-C485 VanDerWaalsContact OG-SG 3.33Å
300	P	82.6	Confident	77.8	Confident	62 Å²	62	37.9 Å²	37.9	40%	0.403	19%	0.192	S	C	.	.	H	α-helix	trans	-57.8	-38.7	171.1	-26.1	34.2	0	0	0	113.9	H303 R304 L399 E482	P300-H303 PolarHBondContact O-N 3.25Å; P300-R304 WeakPolarHBondContact O-CG 3.41Å; P300-R304 PolarHBondContact O-N 2.92Å; P300-L399 HydrophobicContact CB-CD1 4.32Å; P300-L399 HydrophobicContact CG-CD1 3.79Å; P300-L399 HydrophobicContact CG-CD2 4.28Å; P300-E482 WeakPolarHBondContact CD-OE2 3.26Å
301	S	81.4	Confident	76.1	Confident	9 Å²	9	41.6 Å²	41.6	6%	0.063	21%	0.209	C	C	.	.	H	α-helix	trans	-69.4	-37.7	178.8	-69.1	0	0	0	0	112.9	S299 R304 W305 E482 Q486	S299-S301 VanDerWaalsContact C-N 3.32Å; S299-S301 PolarHBondContact O-N 3.44Å; S299-S301 PolarHBondContact OG-N 2.82Å; S301-R304 PolarHBondContact O-N 3.25Å; S301-R304 PolarHBondContact OG-NH2 2.99Å; S301-W305 WeakPolarHBondContact O-CB 3.37Å; S301-W305 PolarHBondContact O-N 3.07Å; S301-E482 WeakPolarHBondContact CB-OE1 3.04Å; S301-E482 PolarHBondContact N-OE1 3.42Å; S301-E482 VanDerWaalsContact N-OE1 3.11Å; S301-E482 PolarHBondContact OG-OE1 2.78Å; S301-Q486 PolarHBondContact OG-NE2 2.82Å
302	Y	79.8	Confident	74.3	Confident	3 Å²	3	46.7 Å²	46.7	1%	0.012	24%	0.236	C	C	.	.	H	α-helix	trans	-64.5	-45.2	173.7	-174.5	-104.3	0	0	0	111.8	L296 S299 R304 W305 V306 L402 A406 L489	L296-Y302 HydrophobicContact CB-CD1 3.77Å; L296-Y302 HydrophobicContact CB-CD2 3.81Å; L296-Y302 HydrophobicContact CB-CE1 3.98Å; L296-Y302 HydrophobicContact CB-CE2 4.04Å; L296-Y302 HydrophobicContact CB-CG 3.68Å; L296-Y302 HydrophobicContact CD1-CD2 4.19Å; L296-Y302 HydrophobicContact CD1-CE2 3.94Å; L296-Y302 HydrophobicContact CG-CD2 4.42Å; L296-Y302 WeakPolarHBondContact O-CB 3.36Å; L296-Y302 WeakPolarHBondContact O-CD1 3.32Å; S299-Y302 PolarHBondContact O-N 3.07Å; S299-Y302 PolarHBondContact OG-N 2.82Å; Y302-R304 VanDerWaalsContact C-N 3.34Å; Y302-R304 PolarHBondContact O-N 3.3Å; Y302-W305 HydrophobicContact CD2-CE3 4.47Å; Y302-W305 HydrophobicContact CE2-CE3 4.19Å; Y302-W305 HydrophobicContact CE2-CZ3 4.27Å; Y302-W305 PolarHBondContact O-N 3.23Å; Y302-W305 VanDerWaalsContact O-N 3.15Å; Y302-V306 HydrophobicContact CD1-CG2 3.91Å; Y302-V306 HydrophobicContact CD2-CG2 4.46Å; Y302-V306 HydrophobicContact CE1-CG2 3.48Å; Y302-V306 VanDerWaalsContact CE1-CG2 3.48Å; Y302-V306 HydrophobicContact CE2-CG2 4.07Å; Y302-V306 HydrophobicContact CG-CG2 4.38Å; Y302-V306 WeakPolarHBondContact O-CG2 3.45Å; Y302-V306 PolarHBondContact O-N 3.35Å; Y302-L402 HydrophobicContact CE1-CD1 4.47Å; Y302-A406 VanDerWaalsContact CE1-O 3.27Å; Y302-A406 WeakPolarHBondContact CE1-O 3.43Å; Y302-A406 PolarHBondContact OH-O 2.79Å; Y302-L489 HydrophobicContact CD2-CD2 3.96Å; Y302-L489 HydrophobicContact CE2-CD2 4.47Å
303	H	75.6	Confident	72.3	Confident	31 Å²	31	47.9 Å²	47.9	14%	0.144	24%	0.242	C	C	.	.	H	α-helix	trans	-57.1	-48.2	176.5	-171.5	-93.2	0	0	0	111.2	S299 P300 W305 V306 W307	S299-H303 PolarHBondContact O-N 3.37Å; P300-H303 PolarHBondContact O-N 3.25Å; H303-W305 PolarHBondContact O-N 2.83Å; H303-V306 PolarHBondContact O-N 3.36Å; H303-W307 AromaticContact CD2-CD1 3.94Å; H303-W307 AromaticContact CD2-NE1 3.81Å; H303-W307 AromaticContact CE1-CD1 3.21Å; H303-W307 AromaticContact CE1-NE1 3.13Å; H303-W307 PolarHBondContact CE1-NE1 2.74Å; H303-W307 AromaticContact CG-CD1 3.92Å; H303-W307 AromaticContact ND1-CD1 3.46Å; H303-W307 AromaticContact ND1-NE1 3.85Å; H303-W307 AromaticContact NE2-CD1 3.5Å; H303-W307 AromaticContact NE2-NE1 3.06Å; H303-W307 PolarHBondContact NE2-NE1 3.49Å; H303-W307 VanDerWaalsContact O-CD1 3.23Å; H303-W307 PolarHBondContact O-N 2.9Å
304	R	77.7	Confident	70.2	Confident	144 Å²	144	47.8 Å²	47.8	54%	0.543	24%	0.242	S	C	.	.	H	α-helix	trans	-57.6	-45.5	174.5	-74.3	-173.6	-66	167.4	0.6	112.4	P300 S301 Y302 W307 Q308	P300-R304 WeakPolarHBondContact O-CG 3.41Å; P300-R304 PolarHBondContact O-N 2.92Å; S301-R304 PolarHBondContact O-N 3.25Å; S301-R304 PolarHBondContact OG-NH2 2.99Å; Y302-R304 VanDerWaalsContact C-N 3.34Å; Y302-R304 PolarHBondContact O-N 3.3Å; R304-W307 PolarHBondContact O-N 3.47Å; R304-Q308 WeakPolarHBondContact O-CB 3.48Å; R304-Q308 VanDerWaalsContact O-CG 3.26Å; R304-Q308 WeakPolarHBondContact O-CG 3.42Å; R304-Q308 PolarHBondContact O-N 2.86Å
305	W	78.3	Confident	68.2	Low	24 Å²	24	55.4 Å²	55.4	9%	0.091	28%	0.283	C	S	.	.	H	α-helix	trans	-63.6	-45.8	-179.9	179.7	91.1	0	0	0	112.2	S301 Y302 H303 W307 Q308 H309 L489 A566	S301-W305 WeakPolarHBondContact O-CB 3.37Å; S301-W305 PolarHBondContact O-N 3.07Å; Y302-W305 HydrophobicContact CD2-CE3 4.47Å; Y302-W305 HydrophobicContact CE2-CE3 4.19Å; Y302-W305 HydrophobicContact CE2-CZ3 4.27Å; Y302-W305 PolarHBondContact O-N 3.23Å; Y302-W305 VanDerWaalsContact O-N 3.15Å; H303-W305 PolarHBondContact O-N 2.83Å; W305-W307 VanDerWaalsContact C-N 3.34Å; W305-W307 PolarHBondContact O-N 2.94Å; W305-Q308 PolarHBondContact O-N 3.1Å; W305-H309 AromaticContact CD1-CD2 3.94Å; W305-H309 AromaticContact CD1-NE2 3.67Å; W305-H309 AromaticContact CD2-CD2 3.53Å; W305-H309 AromaticContact CD2-NE2 3.89Å; W305-H309 AromaticContact CE2-CD2 3.27Å; W305-H309 AromaticContact CE2-NE2 3.21Å; W305-H309 AromaticContact CG-CD2 3.97Å; W305-H309 AromaticContact CZ2-CD2 3.6Å; W305-H309 AromaticContact CZ2-NE2 3.57Å; W305-H309 AromaticContact NE1-CD2 3.57Å; W305-H309 AromaticContact NE1-NE2 3.08Å; W305-H309 PolarHBondContact NE1-NE2 2.92Å; W305-H309 PolarHBondContact O-CD2 2.75Å; W305-H309 PolarHBondContact O-N 3.1Å; W305-H309 VanDerWaalsContact O-N 3.08Å; W305-L489 HydrophobicContact CB-CD1 3.99Å; W305-L489 HydrophobicContact CB-CD2 4.19Å; W305-L489 HydrophobicContact CD2-CD2 3.63Å; W305-L489 HydrophobicContact CE3-CD2 4Å; W305-L489 HydrophobicContact CG-CD1 4.3Å; W305-L489 HydrophobicContact CG-CD2 3.73Å; W305-A566 HydrophobicContact CH2-CB 3.91Å; W305-A566 HydrophobicContact CZ3-CB 4.14Å
306	V	73.5	Confident	66.2	Low	5 Å²	5	59.5 Å²	59.5	3%	0.03	29%	0.29	C	S	.	.	H	α-helix	trans	-59.3	-47.6	177.6	172.4	0	0	0	0	110.2	Y302 H303 H309 L310 A406	Y302-V306 HydrophobicContact CD1-CG2 3.91Å; Y302-V306 HydrophobicContact CD2-CG2 4.46Å; Y302-V306 HydrophobicContact CE1-CG2 3.48Å; Y302-V306 VanDerWaalsContact CE1-CG2 3.48Å; Y302-V306 HydrophobicContact CE2-CG2 4.07Å; Y302-V306 HydrophobicContact CG-CG2 4.38Å; Y302-V306 WeakPolarHBondContact O-CG2 3.45Å; Y302-V306 PolarHBondContact O-N 3.35Å; H303-V306 PolarHBondContact O-N 3.36Å; V306-H309 PolarHBondContact O-N 3.02Å; V306-L310 HydrophobicContact CG1-CD1 3.86Å; V306-L310 HydrophobicContact CG1-CG 4.32Å; V306-L310 WeakPolarHBondContact O-CG 3.35Å; V306-L310 PolarHBondContact O-N 3.38Å; V306-A406 HydrophobicContact CG1-CB 4.09Å; V306-A406 HydrophobicContact CG2-CB 4.36Å
307	W	68.6	Low	64	Low	73 Å²	73	65.5 Å²	65.5	28%	0.277	33%	0.329	S	S	.	.	H	α-helix	trans	-65	-39.7	179.2	-80.6	105.8	0	0	0	112.9	H303 R304 W305 H309 L310 E311 E401	H303-W307 AromaticContact CD2-CD1 3.94Å; H303-W307 AromaticContact CD2-NE1 3.81Å; H303-W307 AromaticContact CE1-CD1 3.21Å; H303-W307 AromaticContact CE1-NE1 3.13Å; H303-W307 PolarHBondContact CE1-NE1 2.74Å; H303-W307 AromaticContact CG-CD1 3.92Å; H303-W307 AromaticContact ND1-CD1 3.46Å; H303-W307 AromaticContact ND1-NE1 3.85Å; H303-W307 AromaticContact NE2-CD1 3.5Å; H303-W307 AromaticContact NE2-NE1 3.06Å; H303-W307 PolarHBondContact NE2-NE1 3.49Å; H303-W307 VanDerWaalsContact O-CD1 3.23Å; H303-W307 PolarHBondContact O-N 2.9Å; R304-W307 PolarHBondContact O-N 3.47Å; W305-W307 VanDerWaalsContact C-N 3.34Å; W305-W307 PolarHBondContact O-N 2.94Å; W307-H309 VanDerWaalsContact C-N 3.3Å; W307-H309 PolarHBondContact O-N 3.28Å; W307-L310 HydrophobicContact CD2-CD1 4.41Å; W307-L310 HydrophobicContact CE3-CB 4.41Å; W307-L310 HydrophobicContact CE3-CD1 4.16Å; W307-L310 HydrophobicContact CZ3-CD1 4.37Å; W307-L310 CarbonylContact O-C 3.59Å; W307-L310 PolarHBondContact O-N 2.92Å; W307-L310 VanDerWaalsContact O-N 3.13Å; W307-E311 WeakPolarHBondContact O-CB 3.2Å; W307-E311 VanDerWaalsContact O-CG 3.25Å; W307-E311 WeakPolarHBondContact O-CG 3.28Å; W307-E311 PolarHBondContact O-N 3.47Å; W307-E401 WeakPolarHBondContact CZ2-O 3.17Å; W307-E401 PolarHBondContact NE1-O 3.21Å
308	Q	68.1	Low	62.3	Low	110 Å²	110	70 Å²	70	51%	0.514	35%	0.353	S	S	.	.	H	α-helix	trans	-58.6	-39.8	172.2	-75.5	172	-8	0	0	112.7	R304 W305 L312	R304-Q308 WeakPolarHBondContact O-CB 3.48Å; R304-Q308 VanDerWaalsContact O-CG 3.26Å; R304-Q308 WeakPolarHBondContact O-CG 3.42Å; R304-Q308 PolarHBondContact O-N 2.86Å; W305-Q308 PolarHBondContact O-N 3.1Å; Q308-L312 WeakPolarHBondContact O-CG 3.27Å; Q308-L312 PolarHBondContact O-N 3.42Å
309	H	64	Low	60.5	Low	31 Å²	31	77.2 Å²	77.2	14%	0.144	37%	0.373	C	S	.	.	H	α-helix	trans	-74	-29.9	176.2	-74.8	-69.4	0	0	0	112.8	W305 V306 W307 I313 A566	W305-H309 AromaticContact CD1-CD2 3.94Å; W305-H309 AromaticContact CD1-NE2 3.67Å; W305-H309 AromaticContact CD2-CD2 3.53Å; W305-H309 AromaticContact CD2-NE2 3.89Å; W305-H309 AromaticContact CE2-CD2 3.27Å; W305-H309 AromaticContact CE2-NE2 3.21Å; W305-H309 AromaticContact CG-CD2 3.97Å; W305-H309 AromaticContact CZ2-CD2 3.6Å; W305-H309 AromaticContact CZ2-NE2 3.57Å; W305-H309 AromaticContact NE1-CD2 3.57Å; W305-H309 AromaticContact NE1-NE2 3.08Å; W305-H309 PolarHBondContact NE1-NE2 2.92Å; W305-H309 PolarHBondContact O-CD2 2.75Å; W305-H309 PolarHBondContact O-N 3.1Å; W305-H309 VanDerWaalsContact O-N 3.08Å; V306-H309 PolarHBondContact O-N 3.02Å; W307-H309 VanDerWaalsContact C-N 3.3Å; W307-H309 PolarHBondContact O-N 3.28Å; H309-I313 WeakPolarHBondContact O-CD1 3.05Å; H309-I313 WeakPolarHBondContact O-CG1 3.44Å; H309-A566 HydrophobicContact CB-CB 3.7Å
310	L	61.7	Low	58.3	Low	23 Å²	23	81.5 Å²	81.5	12%	0.12	40%	0.399	C	S	.	.	H	α-helix	trans	-73.4	-35.6	172.8	-68	173.1	0	0	0	112	V306 W307 L312 I313 D314 P403 P567	V306-L310 HydrophobicContact CG1-CD1 3.86Å; V306-L310 HydrophobicContact CG1-CG 4.32Å; V306-L310 WeakPolarHBondContact O-CG 3.35Å; V306-L310 PolarHBondContact O-N 3.38Å; W307-L310 HydrophobicContact CD2-CD1 4.41Å; W307-L310 HydrophobicContact CE3-CB 4.41Å; W307-L310 HydrophobicContact CE3-CD1 4.16Å; W307-L310 HydrophobicContact CZ3-CD1 4.37Å; W307-L310 CarbonylContact O-C 3.59Å; W307-L310 PolarHBondContact O-N 2.92Å; W307-L310 VanDerWaalsContact O-N 3.13Å; L310-L312 VanDerWaalsContact C-N 3.26Å; L310-L312 PolarHBondContact O-N 3.23Å; L310-I313 HydrophobicContact CD2-CD1 3.96Å; L310-I313 WeakPolarHBondContact O-CA 3.08Å; L310-I313 VanDerWaalsContact O-CB 3.29Å; L310-I313 WeakPolarHBondContact O-CB 3.35Å; L310-I313 PolarHBondContact O-N 3.07Å; L310-D314 PolarHBondContact O-N 3.34Å; L310-P403 HydrophobicContact CD1-CG 3.98Å; L310-P567 HydrophobicContact CD2-CG 4.38Å
311	E	52.4	Low	56.3	Low	78 Å²	78	87.7 Å²	87.7	36%	0.364	42%	0.422	S	S	.	.	H	α-helix	trans	-64.1	-29.4	172	-75.1	169.6	-161.6	0	0	112.1	W307 I313 D314 L318	W307-E311 WeakPolarHBondContact O-CB 3.2Å; W307-E311 VanDerWaalsContact O-CG 3.25Å; W307-E311 WeakPolarHBondContact O-CG 3.28Å; W307-E311 PolarHBondContact O-N 3.47Å; E311-I313 PolarHBondContact O-N 3.02Å; E311-D314 CarbonylContact O-C 3.56Å; E311-L318 HydrophobicContact CG-CD1 4.14Å; E311-L318 WeakPolarHBondContact OE1-CD1 3.14Å
312	L	50.8	Low	54.3	Low	127 Å²	127	95 Å²	95	67%	0.665	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-14	169.6	-71.2	171.2	0	0	0	113.2	Q308 L310	Q308-L312 WeakPolarHBondContact O-CG 3.27Å; Q308-L312 PolarHBondContact O-N 3.42Å; L310-L312 VanDerWaalsContact C-N 3.26Å; L310-L312 PolarHBondContact O-N 3.23Å
313	I	45.4	Very low	52.5	Low	26 Å²	26	106.8 Å²	106.8	13%	0.133	50%	0.504	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-36.6	179.9	-63.1	165.7	0	0	0	111.1	H309 L310 E311 I390 P567 Y569	H309-I313 WeakPolarHBondContact O-CD1 3.05Å; H309-I313 WeakPolarHBondContact O-CG1 3.44Å; L310-I313 HydrophobicContact CD2-CD1 3.96Å; L310-I313 WeakPolarHBondContact O-CA 3.08Å; L310-I313 VanDerWaalsContact O-CB 3.29Å; L310-I313 WeakPolarHBondContact O-CB 3.35Å; L310-I313 PolarHBondContact O-N 3.07Å; E311-I313 PolarHBondContact O-N 3.02Å; I313-I390 HydrophobicContact CG2-CD1 4.14Å; I313-P567 HydrophobicContact CD1-CB 4.11Å; I313-P567 WeakPolarHBondContact CD1-O 3.49Å; I313-Y569 HydrophobicContact CB-CD2 4.48Å; I313-Y569 HydrophobicContact CB-CE2 4.12Å; I313-Y569 HydrophobicContact CG1-CD2 4.35Å; I313-Y569 HydrophobicContact CG1-CE2 4.45Å; I313-Y569 HydrophobicContact CG2-CD2 4.25Å; I313-Y569 HydrophobicContact CG2-CE2 3.59Å
314	D	38.8	Very low	50.7	Low	81 Å²	81	114 Å²	114	43%	0.433	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	103.1	175.1	-112.1	-13.7	0	0	0	107.3	L310 E311 R316	L310-D314 PolarHBondContact O-N 3.34Å; E311-D314 CarbonylContact O-C 3.56Å; D314-R316 PolarHBondContact O-N 3.28Å
315	D	42	Very low	48.9	Very low	165 Å²	165	115.1 Å²	115.1	88%	0.882	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	62.2	175.3	-74.9	-48.3	0	0	0	113.1
316	R	37.4	Very low	47.4	Very low	187 Å²	187	116.1 Å²	116.1	71%	0.706	55%	0.554	S	S	*	*			trans	-138.6	126.9	179.6	-89.2	-169.9	178.8	-168.8	1.8	110.3	D314 L318	D314-R316 PolarHBondContact O-N 3.28Å; R316-L318 PolarHBondContact O-N 3.1Å
317	P	33.3	Very low	46.1	Very low	127 Å²	127	121.1 Å²	121.1	83%	0.825	59%	0.587	S	S	*	*			trans	-73.9	125.3	165.8	29.4	-29	0	0	0	109.2	K319	P317-K319 PolarHBondContact O-N 2.89Å
318	L	39.2	Very low	45	Very low	97 Å²	97	123.5 Å²	123.5	51%	0.508	60%	0.602	S	S	.	*			trans	-70.7	125.8	172.2	-91.3	165.6	0	0	0	110.2	E311 R316 T320	E311-L318 HydrophobicContact CG-CD1 4.14Å; E311-L318 WeakPolarHBondContact OE1-CD1 3.14Å; R316-L318 PolarHBondContact O-N 3.1Å; L318-T320 PolarHBondContact O-N 3.32Å
319	K	38.2	Very low	44	Very low	208 Å²	208	123 Å²	123	90%	0.904	60%	0.6	S	S	*	*			trans	-70.2	80.3	156.4	-73.3	-179.6	177	-179.7	0	108	P317	P317-K319 PolarHBondContact O-N 2.89Å
320	T	35.6	Very low	43.5	Very low	101 Å²	101	130.4 Å²	130.4	62%	0.62	63%	0.626	S	S	*	*			trans	-124.8	122	162.1	39.4	0	0	0	0	108.5	L318 L322	L318-T320 PolarHBondContact O-N 3.32Å; T320-L322 PolarHBondContact O-N 3.29Å
321	H	41.6	Very low	42.8	Very low	192 Å²	192	135 Å²	135	89%	0.889	65%	0.646	S	S	*	*	S	Bend	trans	-60.9	87.4	-170.2	-75	-97.5	0	0	0	113.4
322	L	39	Very low	42.6	Very low	162 Å²	162	136.7 Å²	136.7	85%	0.848	65%	0.652	S	S	*	*			trans	-144	121.6	151.2	-75.2	175.2	0	0	0	107.2	T320 E324	T320-L322 PolarHBondContact O-N 3.29Å; L322-E324 VanDerWaalsContact C-N 3.33Å; L322-E324 PolarHBondContact O-N 3.13Å
323	R	41.2	Very low	42.4	Very low	251 Å²	251	135 Å²	135	95%	0.947	64%	0.641	S	S	*	*			trans	-66	86.5	-178.3	-81.9	-174.1	176.5	-165.6	0.5	110.6
324	E	37.7	Very low	42.3	Very low	183 Å²	183	140.8 Å²	140.8	86%	0.855	67%	0.665	S	S	*	*			trans	-126.6	124.9	154.1	-75.7	-170.3	155.3	0	0	108.6	L322	L322-E324 VanDerWaalsContact C-N 3.33Å; L322-E324 PolarHBondContact O-N 3.13Å
325	Y	40.1	Very low	42.6	Very low	167 Å²	167	142.1 Å²	142.1	66%	0.655	67%	0.669	S	S	*	*			trans	-64.1	137.6	178.5	-69.6	-78.8	0	0	0	110.2
326	S	46.8	Very low	42.7	Very low	44 Å²	44	140.7 Å²	140.7	31%	0.308	66%	0.66	S	S	.	*			trans	-60	149.5	180	64.4	0	0	0	0	111.1	M328 E329 R330	S326-M328 PolarHBondContact O-N 3.22Å; S326-M328 VanDerWaalsContact O-N 3.11Å; S326-E329 PolarHBondContact N-OE2 2.84Å; S326-E329 PolarHBondContact O-N 3.23Å; S326-E329 WeakPolarHBondContact OG-CB 3.21Å; S326-E329 WeakPolarHBondContact OG-CG 3.45Å; S326-E329 PolarHBondContact OG-N 3.24Å; S326-E329 PolarHBondContact OG-OE2 3.41Å; S326-R330 PolarHBondContact O-N 3.13Å
327	P	46.1	Very low	42.9	Very low	111 Å²	111	139.1 Å²	139.1	72%	0.721	66%	0.658	S	S	*	*	H	α-helix	trans	-54.3	-31.5	174.6	-27.2	35	0	0	0	113.1	F331	P327-F331 VanDerWaalsContact O-CB 3.31Å; P327-F331 WeakPolarHBondContact O-CB 3.44Å; P327-F331 PolarHBondContact O-N 2.75Å
328	M	45.9	Very low	43.1	Very low	123 Å²	123	136.1 Å²	136.1	61%	0.606	64%	0.64	S	S	*	*	H	α-helix	trans	-67.1	-38.2	174.9	-165.7	71.6	172.9	0	0	112.4	S326 K332	S326-M328 PolarHBondContact O-N 3.22Å; S326-M328 VanDerWaalsContact O-N 3.11Å; M328-K332 WeakPolarHBondContact O-CB 3.27Å; M328-K332 VanDerWaalsContact O-CG 3.31Å; M328-K332 WeakPolarHBondContact O-CG 3.33Å; M328-K332 PolarHBondContact O-N 3.45Å
329	E	47.6	Very low	42.9	Very low	100 Å²	100	140.1 Å²	140.1	47%	0.467	65%	0.649	S	S	.	*	H	α-helix	trans	-73.1	-41.2	174.9	-74.6	162.8	156.8	0	0	111.4	S326 F331 K332 E333	S326-E329 PolarHBondContact N-OE2 2.84Å; S326-E329 PolarHBondContact O-N 3.23Å; S326-E329 WeakPolarHBondContact OG-CB 3.21Å; S326-E329 WeakPolarHBondContact OG-CG 3.45Å; S326-E329 PolarHBondContact OG-N 3.24Å; S326-E329 PolarHBondContact OG-OE2 3.41Å; E329-F331 VanDerWaalsContact C-N 3.3Å; E329-F331 PolarHBondContact O-N 3.02Å; E329-K332 PolarHBondContact O-N 3.29Å; E329-E333 WeakPolarHBondContact O-CB 3.1Å; E329-E333 PolarHBondContact O-N 2.88Å
330	R	52.9	Low	43.1	Very low	185 Å²	185	136.1 Å²	136.1	70%	0.698	65%	0.645	S	S	*	*	H	α-helix	trans	-57	-43.6	171.3	-91	-179.3	159	168.7	-2.6	111.9	S326 F334	S326-R330 PolarHBondContact O-N 3.13Å; R330-F334 VanDerWaalsContact O-CB 3.27Å; R330-F334 WeakPolarHBondContact O-CB 3.22Å; R330-F334 PolarHBondContact O-N 3Å
331	F	46.2	Very low	43.3	Very low	120 Å²	120	139 Å²	139	53%	0.526	66%	0.655	S	S	.	*	H	α-helix	trans	-70.1	-39.5	178.9	-168.6	-103.4	0	0	0	112.4	P327 E329 F334 Q335	P327-F331 VanDerWaalsContact O-CB 3.31Å; P327-F331 WeakPolarHBondContact O-CB 3.44Å; P327-F331 PolarHBondContact O-N 2.75Å; E329-F331 VanDerWaalsContact C-N 3.3Å; E329-F331 PolarHBondContact O-N 3.02Å; F331-F334 PolarHBondContact O-N 2.83Å; F331-Q335 HydrophobicContact CD1-CG 4.39Å; F331-Q335 HydrophobicContact CE1-CG 4.17Å; F331-Q335 WeakPolarHBondContact O-CG 3.27Å; F331-Q335 PolarHBondContact O-N 3Å
332	K	48.3	Very low	43.5	Very low	113 Å²	113	137.2 Å²	137.2	49%	0.491	65%	0.648	S	S	.	*	H	α-helix	trans	-64.2	-43.3	173.6	-79.7	178.5	179	-179	0	112.2	M328 E329 F334 Q335 I336	M328-K332 WeakPolarHBondContact O-CB 3.27Å; M328-K332 VanDerWaalsContact O-CG 3.31Å; M328-K332 WeakPolarHBondContact O-CG 3.33Å; M328-K332 PolarHBondContact O-N 3.45Å; E329-K332 PolarHBondContact O-N 3.29Å; K332-F334 VanDerWaalsContact C-N 3.31Å; K332-F334 PolarHBondContact O-N 2.78Å; K332-Q335 PolarHBondContact O-N 2.84Å; K332-I336 WeakPolarHBondContact O-CB 3.44Å; K332-I336 WeakPolarHBondContact O-CD1 3.32Å; K332-I336 WeakPolarHBondContact O-CG1 3.14Å; K332-I336 PolarHBondContact O-N 2.89Å
333	E	47	Very low	43.7	Very low	93 Å²	93	135.4 Å²	135.4	44%	0.435	64%	0.639	S	S	.	*	H	α-helix	trans	-67.3	-34.9	178.1	-141.8	-165.2	153.6	0	0	111.7	E329 K337	E329-E333 WeakPolarHBondContact O-CB 3.1Å; E329-E333 PolarHBondContact O-N 2.88Å; E333-K337 WeakPolarHBondContact O-CG 3.4Å; E333-K337 PolarHBondContact O-N 2.82Å; E333-K337 WeakPolarHBondContact OE1-CE 3.18Å; E333-K337 IonicContact OE1-NZ 2.75Å; E333-K337 PolarHBondContact OE1-NZ 3.45Å
334	F	42.6	Very low	43.7	Very low	147 Å²	147	129.5 Å²	129.5	65%	0.645	62%	0.62	S	S	*	*	H	α-helix	trans	-66.1	-43.4	173	-164.3	-93.4	0	0	0	111.7	R330 F331 K332 K337 S338	R330-F334 VanDerWaalsContact O-CB 3.27Å; R330-F334 WeakPolarHBondContact O-CB 3.22Å; R330-F334 PolarHBondContact O-N 3Å; F331-F334 PolarHBondContact O-N 2.83Å; K332-F334 VanDerWaalsContact C-N 3.31Å; K332-F334 PolarHBondContact O-N 2.78Å; F334-K337 PolarHBondContact O-N 2.77Å; F334-S338 WeakPolarHBondContact O-CB 3.44Å; F334-S338 PolarHBondContact O-N 2.88Å; F334-S338 PolarHBondContact O-OG 2.8Å
335	Q	44.9	Very low	44.3	Very low	109 Å²	109	123.7 Å²	123.7	51%	0.509	60%	0.6	S	S	.	*	H	α-helix	trans	-63.6	-41.5	174.5	-78	-168.7	-16.1	0	0	112.8	F331 K332 K337 S338	F331-Q335 HydrophobicContact CD1-CG 4.39Å; F331-Q335 HydrophobicContact CE1-CG 4.17Å; F331-Q335 WeakPolarHBondContact O-CG 3.27Å; F331-Q335 PolarHBondContact O-N 3Å; K332-Q335 PolarHBondContact O-N 2.84Å; Q335-K337 VanDerWaalsContact C-N 3.27Å; Q335-K337 PolarHBondContact O-N 3.48Å; Q335-S338 PolarHBondContact O-N 2.86Å; Q335-S338 PolarHBondContact O-OG 3.43Å
336	I	45.5	Very low	44.4	Very low	134 Å²	134	119.3 Å²	119.3	69%	0.687	59%	0.594	S	S	*	*	H	α-helix	trans	-66	-29.7	179.7	-67.6	161.5	0	0	0	111.8	K332	K332-I336 WeakPolarHBondContact O-CB 3.44Å; K332-I336 WeakPolarHBondContact O-CD1 3.32Å; K332-I336 WeakPolarHBondContact O-CG1 3.14Å; K332-I336 PolarHBondContact O-N 2.89Å
337	K	40.3	Very low	44.5	Very low	155 Å²	155	122.4 Å²	122.4	67%	0.674	61%	0.606	S	S	*	*	H	α-helix	trans	-86.2	-13.7	179.6	-71.8	176.4	-173.5	166.7	0	114.6	E333 F334 Q335	E333-K337 WeakPolarHBondContact O-CG 3.4Å; E333-K337 PolarHBondContact O-N 2.82Å; E333-K337 WeakPolarHBondContact OE1-CE 3.18Å; E333-K337 IonicContact OE1-NZ 2.75Å; E333-K337 PolarHBondContact OE1-NZ 3.45Å; F334-K337 PolarHBondContact O-N 2.77Å; Q335-K337 VanDerWaalsContact C-N 3.27Å; Q335-K337 PolarHBondContact O-N 3.48Å
338	S	39.3	Very low	44.5	Very low	63 Å²	63	124.9 Å²	124.9	44%	0.441	61%	0.606	S	S	.	*	H	α-helix	trans	-107.6	-6.8	-168.7	46.7	0	0	0	0	116	F334 Q335	F334-S338 WeakPolarHBondContact O-CB 3.44Å; F334-S338 PolarHBondContact O-N 2.88Å; F334-S338 PolarHBondContact O-OG 2.8Å; Q335-S338 PolarHBondContact O-N 2.86Å; Q335-S338 PolarHBondContact O-OG 3.43Å
339	Y	34.8	Very low	44.5	Very low	181 Å²	181	124.3 Å²	124.3	71%	0.71	60%	0.604	S	S	*	*			trans	-143.2	128.6	175.8	-93.1	-90.7	0	0	0	112.5	L341	Y339-L341 PolarHBondContact O-N 2.99Å; Y339-L341 VanDerWaalsContact O-N 3.13Å
340	P	41.6	Very low	44.2	Very low	124 Å²	124	124.4 Å²	124.4	81%	0.805	61%	0.608	S	S	*	*			trans	-78.9	94.4	168.5	31.6	-28.3	0	0	0	108.5	Q342	P340-Q342 PolarHBondContact O-N 3.16Å
341	L	40.8	Very low	43.9	Very low	161 Å²	161	122.8 Å²	122.8	84%	0.843	61%	0.608	S	S	*	*			trans	-78	108.4	171.9	-77.2	166.2	0	0	0	109.3	Y339 D343	Y339-L341 PolarHBondContact O-N 2.99Å; Y339-L341 VanDerWaalsContact O-N 3.13Å; L341-D343 PolarHBondContact O-N 2.76Å
342	Q	45.3	Very low	44.1	Very low	156 Å²	156	121.4 Å²	121.4	73%	0.729	61%	0.605	S	S	*	*			trans	-60.1	129.6	166	-78.4	179.1	-15.9	0	0	110	P340 F344	P340-Q342 PolarHBondContact O-N 3.16Å; Q342-F344 HydrophobicContact CB-CE2 4.08Å; Q342-F344 HydrophobicContact CB-CZ 4.12Å; Q342-F344 WeakPolarHBondContact O-CD2 3.26Å; Q342-F344 PolarHBondContact O-N 3.36Å
343	D	42.3	Very low	43.9	Very low	123 Å²	123	123.8 Å²	123.8	66%	0.658	62%	0.615	S	S	*	*			trans	-81.1	107.8	-178.7	-169.5	-3	0	0	0	110.7	L341 S345	L341-D343 PolarHBondContact O-N 2.76Å; D343-S345 VanDerWaalsContact C-N 3.35Å; D343-S345 WeakPolarHBondContact OD1-CB 3.5Å; D343-S345 PolarHBondContact OD1-N 3.06Å; D343-S345 PolarHBondContact OD1-OG 3.19Å; D343-S345 PolarHBondContact OD2-OG 3.24Å
344	F	42.7	Very low	43.9	Very low	127 Å²	127	126.8 Å²	126.8	56%	0.557	63%	0.627	S	S	*	*			trans	-93	15	178.9	-65.5	-73.5	0	0	0	113.7	Q342 S346 L347	Q342-F344 HydrophobicContact CB-CE2 4.08Å; Q342-F344 HydrophobicContact CB-CZ 4.12Å; Q342-F344 WeakPolarHBondContact O-CD2 3.26Å; Q342-F344 PolarHBondContact O-N 3.36Å; F344-S346 PolarHBondContact O-N 3.34Å; F344-L347 HydrophobicContact CD1-CD1 3.85Å; F344-L347 PolarHBondContact O-N 3.07Å
345	S	49.5	Very low	44.1	Very low	61 Å²	61	123.3 Å²	123.3	43%	0.427	63%	0.626	S	S	.	*	H	α-helix	trans	-56.4	-30.4	176.7	52.4	0	0	0	0	113.5	D343 K348 L349	D343-S345 VanDerWaalsContact C-N 3.35Å; D343-S345 WeakPolarHBondContact OD1-CB 3.5Å; D343-S345 PolarHBondContact OD1-N 3.06Å; D343-S345 PolarHBondContact OD1-OG 3.19Å; D343-S345 PolarHBondContact OD2-OG 3.24Å; S345-K348 PolarHBondContact O-N 3.48Å; S345-L349 PolarHBondContact O-N 3.09Å
346	S	43	Very low	44	Very low	76 Å²	76	128.4 Å²	128.4	53%	0.531	64%	0.64	S	S	.	*	H	α-helix	trans	-66.8	-35.7	177.5	50	0	0	0	0	113.9	F344 L350	F344-S346 PolarHBondContact O-N 3.34Å; S346-L350 PolarHBondContact O-N 2.85Å
347	L	48.3	Very low	43.7	Very low	109 Å²	109	124.9 Å²	124.9	57%	0.571	64%	0.637	S	S	*	*	H	α-helix	trans	-74.3	-33.4	178.1	-69.9	176.3	0	0	0	112.4	F344 L350 H351	F344-L347 HydrophobicContact CD1-CD1 3.85Å; F344-L347 PolarHBondContact O-N 3.07Å; L347-L350 PolarHBondContact O-N 3.39Å; L347-H351 PolarHBondContact O-N 2.97Å; L347-H351 VanDerWaalsContact O-N 3.17Å
348	K	45	Very low	43.8	Very low	163 Å²	163	124.9 Å²	124.9	71%	0.709	64%	0.644	S	S	*	*	H	α-helix	trans	-65.6	-39.9	174.4	-100.4	179.6	175.2	175.6	0	112.4	S345 L350 H351 L352	S345-K348 PolarHBondContact O-N 3.48Å; K348-L350 VanDerWaalsContact C-N 3.34Å; K348-H351 PolarHBondContact O-N 2.81Å; K348-L352 PolarHBondContact O-N 3.22Å; K348-L352 VanDerWaalsContact O-N 3.13Å
349	L	47.3	Very low	43.6	Very low	111 Å²	111	131.2 Å²	131.2	58%	0.581	67%	0.667	S	S	*	*	H	α-helix	trans	-67.7	-33.7	176.1	-81.3	168.8	0	0	0	112.7	S345 L352 K353	S345-L349 PolarHBondContact O-N 3.09Å; L349-L352 PolarHBondContact O-N 3.5Å; L349-K353 PolarHBondContact O-N 2.92Å
350	L	41.5	Very low	43.4	Very low	102 Å²	102	125.7 Å²	125.7	53%	0.534	66%	0.664	S	S	.	*	H	α-helix	trans	-72	-33.5	178.7	-155	132.4	0	0	0	112.1	S346 L347 K348 K354	S346-L350 PolarHBondContact O-N 2.85Å; L347-L350 PolarHBondContact O-N 3.39Å; K348-L350 VanDerWaalsContact C-N 3.34Å; L350-K354 PolarHBondContact O-N 3.5Å
351	H	45.8	Very low	42.7	Very low	151 Å²	151	126.6 Å²	126.6	70%	0.699	67%	0.668	S	S	*	*	H	α-helix	trans	-70.2	-39.8	172.9	-133.8	-103.7	0	0	0	112.2	L347 K348 K354 A355	L347-H351 PolarHBondContact O-N 2.97Å; L347-H351 VanDerWaalsContact O-N 3.17Å; K348-H351 PolarHBondContact O-N 2.81Å; H351-K354 PolarHBondContact O-N 3.42Å; H351-A355 PolarHBondContact O-N 3.18Å; H351-A355 VanDerWaalsContact O-N 3.16Å
352	L	50.3	Low	42	Very low	91 Å²	91	123.4 Å²	123.4	48%	0.476	66%	0.659	S	S	.	*	H	α-helix	trans	-67.3	-39	175.3	-83.4	162.7	0	0	0	112.7	K348 L349 K354 A355 W356	K348-L352 PolarHBondContact O-N 3.22Å; K348-L352 VanDerWaalsContact O-N 3.13Å; L349-L352 PolarHBondContact O-N 3.5Å; L352-K354 VanDerWaalsContact C-N 3.35Å; L352-K354 PolarHBondContact O-N 3.41Å; L352-A355 PolarHBondContact O-N 3.13Å; L352-W356 PolarHBondContact O-N 3.49Å; L352-W356 VanDerWaalsContact O-N 3.15Å
353	K	44.9	Very low	41.1	Very low	162 Å²	162	126 Å²	126	70%	0.704	67%	0.668	S	S	*	*	H	α-helix	trans	-64.4	-36	174	-83.8	-176.8	175.3	-179.9	0	113	L349 A355 W356 G357	L349-K353 PolarHBondContact O-N 2.92Å; K353-A355 VanDerWaalsContact C-N 3.34Å; K353-W356 PolarHBondContact O-N 2.86Å; K353-G357 PolarHBondContact O-N 2.97Å
354	K	45.7	Very low	40.3	Very low	157 Å²	157	125.6 Å²	125.6	68%	0.683	68%	0.675	S	S	*	*	H	α-helix	trans	-67.9	-32.7	173.8	-80.9	-176.8	175.8	-178.2	0	112.6	L350 H351 L352 W356	L350-K354 PolarHBondContact O-N 3.5Å; H351-K354 PolarHBondContact O-N 3.42Å; L352-K354 VanDerWaalsContact C-N 3.35Å; L352-K354 PolarHBondContact O-N 3.41Å; K354-W356 VanDerWaalsContact C-N 3.35Å
355	A	47.3	Very low	39.5	Very low	74 Å²	74	130.1 Å²	130.1	61%	0.612	69%	0.689	S	S	*	*	H	α-helix	trans	-72.2	-26.3	175.5	0	0	0	0	0	113.3	H351 L352 K353	H351-A355 PolarHBondContact O-N 3.18Å; H351-A355 VanDerWaalsContact O-N 3.16Å; L352-A355 PolarHBondContact O-N 3.13Å; K353-A355 VanDerWaalsContact C-N 3.34Å
356	W	42.8	Very low	38.3	Very low	215 Å²	215	134.9 Å²	134.9	81%	0.814	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	1.1	177.5	-72.8	-11.9	0	0	0	115	L352 K353 K354 L358	L352-W356 PolarHBondContact O-N 3.49Å; L352-W356 VanDerWaalsContact O-N 3.15Å; K353-W356 PolarHBondContact O-N 2.86Å; K354-W356 VanDerWaalsContact C-N 3.35Å; W356-L358 VanDerWaalsContact C-N 3.35Å; W356-L358 PolarHBondContact O-N 3.07Å
357	G	39.2	Very low	37.8	Very low	61 Å²	61	138.8 Å²	138.8	63%	0.629	72%	0.715	S	S	*	*	S	Bend	trans	-82.4	2.6	-179.6	0	0	0	0	0	116.2	K353	K353-G357 PolarHBondContact O-N 2.97Å
358	L	42.4	Very low	36.7	Very low	155 Å²	155	136.4 Å²	136.4	81%	0.812	72%	0.717	S	S	*	*	S	Bend	trans	-129.2	77	-174.9	-77.5	164.6	0	0	0	111.7	W356	W356-L358 VanDerWaalsContact C-N 3.35Å; W356-L358 PolarHBondContact O-N 3.07Å
359	Q	35.1	Very low	35.8	Very low	196 Å²	196	135 Å²	135	92%	0.916	72%	0.722	S	S	*	*			trans	167.9	109.5	135.5	-93.7	172.3	-5.9	0	0	108
360	G	30	Very low	34.9	Very low	64 Å²	64	135.4 Å²	135.4	66%	0.66	73%	0.734	S	S	*	*			trans	-83.8	170.1	-177.6	0	0	0	0	0	113.9
361	T	27.6	Very low	34.2	Very low	144 Å²	144	134 Å²	134	88%	0.883	74%	0.744	S	S	*	*			trans	66.7	134	158.3	59.2	0	0	0	0	115.7
362	S	26.7	Very low	33.7	Very low	94 Å²	94	134.2 Å²	134.2	66%	0.657	75%	0.751	S	S	*	*			cis	-175.9	141.3	16.8	30.3	0	0	0	0	108.5
363	F	26.1	Very low	32.6	Very low	209 Å²	209	136.5 Å²	136.5	92%	0.917	77%	0.768	S	S	*	*			trans	50.3	131.9	152.4	-70.9	-95.2	0	0	0	119.3
364	S	26.1	Very low	31.9	Very low	116 Å²	116	136.8 Å²	136.8	81%	0.811	78%	0.777	S	S	*	*			cis	-165.8	154.9	42.7	53.5	0	0	0	0	112.3
365	R	24.7	Very low	31.2	Very low	222 Å²	222	135 Å²	135	84%	0.838	78%	0.781	S	S	*	*			trans	-69.1	159.3	167.1	-110.6	176.8	179.1	165.1	1.9	110
366	K	25.1	Very low	30.8	Very low	160 Å²	160	141.1 Å²	141.1	70%	0.696	79%	0.794	S	S	*	*			cis	-163.9	139.4	23.7	-108.1	177.3	-178	179.3	0	109.8
367	I	32.8	Very low	30.2	Very low	158 Å²	158	139 Å²	139	81%	0.81	80%	0.795	S	S	*	*				54.9	125	129.8	-50.5	168	0	0	0	120.9
368	G	24	Very low	29.7	Very low	59 Å²	59	144.3 Å²	144.3	61%	0.608	81%	0.808	S	S	*	*			trans	174.2	99.1	149.1	0	0	0	0	0	115.6
369	T	25.6	Very low	29	Very low	134 Å²	134	140 Å²	140	82%	0.822	80%	0.801	S	S	*	*			trans	64.5	131.5	146.2	48.6	0	0	0	0	122.7
370	S	29.2	Very low	29	Very low	119 Å²	119	136.6 Å²	136.6	83%	0.832	80%	0.796	S	S	*	*			trans	62.9	133	142.3	66.4	0	0	0	0	120.2
371	G	26.6	Very low	29	Very low	72 Å²	72	142.3 Å²	142.3	74%	0.742	80%	0.803	S	S	*	*			trans	117.4	121.3	157.6	0	0	0	0	0	112.9
372	D	35	Very low	29.1	Very low	157 Å²	157	143 Å²	143	84%	0.84	80%	0.8	S	S	*	*			trans	-7.7	125.6	155.2	-66.5	-43.9	0	0	0	116.2
373	T	27.2	Very low	29.1	Very low	138 Å²	138	145.8 Å²	145.8	85%	0.847	80%	0.802	S	S	*	*				169.3	96.8	127.1	30.9	0	0	0	0	110
374	L	30.1	Very low	29.3	Very low	168 Å²	168	140.7 Å²	140.7	88%	0.88	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-72.8	139.4	156.3	-79.6	169.6	0	0	0	108.8	K376	L374-K376 PolarHBondContact O-N 2.75Å
375	P	31.6	Very low	29.2	Very low	121 Å²	121	146 Å²	146	79%	0.786	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-69.6	128.1	-170.9	-12.4	26.1	0	0	0	112.1
376	K	38.8	Very low	29.3	Very low	201 Å²	201	140.6 Å²	140.6	87%	0.874	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-75.7	119.6	163.2	-73.6	172.7	178.5	166	0	109.7	L374	L374-K376 PolarHBondContact O-N 2.75Å
377	M	29.6	Very low	29.5	Very low	171 Å²	171	137.6 Å²	137.6	84%	0.842	78%	0.783	S	S	*	*			trans	-146.4	89.7	151.1	-72	-155.9	73.6	0	0	108
378	L	29.7	Very low	29.4	Very low	173 Å²	173	138.7 Å²	138.7	91%	0.906	78%	0.784	S	S	*	*				84.5	91	92.8	-88.6	163.2	0	0	0	114.7
379	G	27.4	Very low	30	Very low	63 Å²	63	139.9 Å²	139.9	65%	0.649	78%	0.784	S	S	*	*	S	Bend	trans	-167.2	136.5	155.8	0	0	0	0	0	106	K381	G379-K381 PolarHBondContact O-N 3.17Å
380	P	34.2	Very low	30.7	Very low	126 Å²	126	137.5 Å²	137.5	82%	0.818	77%	0.765	S	S	*	*			trans	-60.2	140.4	-149.7	26.9	-33.5	0	0	0	111.3	I382	P380-I382 VanDerWaalsContact C-N 3.34Å; P380-I382 PolarHBondContact O-N 2.83Å
381	K	31	Very low	31.4	Very low	183 Å²	183	141.6 Å²	141.6	80%	0.796	77%	0.768	S	S	*	*			trans	-43.5	102.9	165	-70.7	175.8	175.6	-180	0	107.6	G379 Q383	G379-K381 PolarHBondContact O-N 3.17Å; K381-Q383 HydrophobicContact CB-CG 4.28Å; K381-Q383 PolarHBondContact O-N 3.44Å
382	I	28.8	Very low	32.7	Very low	160 Å²	160	139.6 Å²	139.6	82%	0.821	74%	0.742	S	S	*	*			trans	-64.7	88.4	150	-57.4	175.8	0	0	0	101.8	P380 S384	P380-I382 VanDerWaalsContact C-N 3.34Å; P380-I382 PolarHBondContact O-N 2.83Å; I382-S384 PolarHBondContact O-N 2.9Å
383	Q	26.6	Very low	33.6	Very low	152 Å²	152	134.6 Å²	134.6	71%	0.71	72%	0.722	S	S	*	*			trans	-56.9	103.7	155.4	-67.4	-176.4	0.7	0	0	102.2	K381 R385	K381-Q383 HydrophobicContact CB-CG 4.28Å; K381-Q383 PolarHBondContact O-N 3.44Å; Q383-R385 VanDerWaalsContact C-N 3.3Å; Q383-R385 PolarHBondContact O-N 3.34Å
384	S	31.1	Very low	35.5	Very low	101 Å²	101	131.6 Å²	131.6	71%	0.706	70%	0.7	S	S	*	*			trans	-47.7	114	156.9	43.6	0	0	0	0	103.4	I382 P386	I382-S384 PolarHBondContact O-N 2.9Å; S384-P386 VanDerWaalsContact O-N 3.07Å
385	R	24.7	Very low	37.2	Very low	228 Å²	228	126.7 Å²	126.7	86%	0.86	67%	0.674	S	S	*	*			trans	-47.8	127.7	173.3	-79.6	178.6	171.7	173.1	-1.4	104.7	Q383 V387	Q383-R385 VanDerWaalsContact C-N 3.3Å; Q383-R385 PolarHBondContact O-N 3.34Å; R385-V387 PolarHBondContact O-N 2.72Å
386	P	25.8	Very low	38.9	Very low	109 Å²	109	126.9 Å²	126.9	71%	0.708	67%	0.668	S	S	*	*			trans	-53	126	174.2	23.9	-31.8	0	0	0	105.4	S384 Q388	S384-P386 VanDerWaalsContact O-N 3.07Å; P386-Q388 PolarHBondContact O-N 2.92Å
387	V	29.6	Very low	40.3	Very low	96 Å²	96	119 Å²	119	58%	0.582	64%	0.637	S	S	*	*			trans	-41.3	108.7	178.3	177.2	0	0	0	0	105.9	R385 S389	R385-V387 PolarHBondContact O-N 2.72Å; V387-S389 PolarHBondContact O-N 3.25Å
388	Q	30.4	Very low	42	Very low	181 Å²	181	121.3 Å²	121.3	85%	0.846	64%	0.642	S	S	*	*			trans	-68.2	90.3	164.1	-87.1	-179.3	-21.2	0	0	102.9	P386 I390	P386-Q388 PolarHBondContact O-N 2.92Å; Q388-I390 PolarHBondContact O-N 3.4Å
389	S	36.5	Very low	43.5	Very low	85 Å²	85	116.9 Å²	116.9	59%	0.594	62%	0.619	S	S	*	*			trans	-46.4	113.7	166	55.7	0	0	0	0	104.4	V387 K391	V387-S389 PolarHBondContact O-N 3.25Å; S389-K391 PolarHBondContact O-N 3.36Å
390	I	41.4	Very low	45.4	Very low	83 Å²	83	115.3 Å²	115.3	43%	0.426	60%	0.603	S	S	.	*			trans	-53.9	112.9	177.5	-59.3	174.4	0	0	0	103.9	I313 Q388 C392	I313-I390 HydrophobicContact CG2-CD1 4.14Å; Q388-I390 PolarHBondContact O-N 3.4Å; I390-C392 HydrophobicContact CG2-CB 3.72Å; I390-C392 WeakPolarHBondContact CG2-SG 3.25Å; I390-C392 PolarHBondContact O-N 2.7Å
391	K	43.4	Very low	47	Very low	206 Å²	206	114.3 Å²	114.3	90%	0.896	59%	0.588	S	S	*	*			trans	-72.5	51	174.4	-75.4	-174.8	176.7	-178.2	0	108.2	S389	S389-K391 PolarHBondContact O-N 3.36Å
392	C	53.2	Low	48.7	Very low	29 Å²	29	105.6 Å²	105.6	20%	0.196	55%	0.55	C	S	.	.	P	Polyproline II helix	trans	-88.7	119.2	169.8	-85.4	0	0	0	0	106	I390 M394 P403	I390-C392 HydrophobicContact CG2-CB 3.72Å; I390-C392 WeakPolarHBondContact CG2-SG 3.25Å; I390-C392 PolarHBondContact O-N 2.7Å; C392-M394 PolarHBondContact O-N 2.98Å; C392-P403 HydrophobicContact CB-CB 4.35Å
393	A	54.4	Low	50.6	Low	52 Å²	52	98.4 Å²	98.4	43%	0.43	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-61.8	130.9	168.8	0	0	0	0	0	108.4	K404	A393-K404 HydrophobicContact CB-CD 3.57Å; A393-K404 HydrophobicContact CB-CG 4.06Å; A393-K404 WeakPolarHBondContact O-CB 3.44Å; A393-K404 VanDerWaalsContact O-CG 3.28Å; A393-K404 WeakPolarHBondContact O-CG 3.48Å; A393-K404 PolarHBondContact O-N 2.94Å
394	M	67.2	Low	52.5	Low	75 Å²	75	97.1 Å²	97.1	37%	0.369	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	155.8	179.8	-59.4	-57.7	-168.1	0	0	110.9	C392 E401 L402 P403	C392-M394 PolarHBondContact O-N 2.98Å; M394-E401 HydrophobicContact CB-CB 4.43Å; M394-L402 CarbonylContact C-O 3.56Å; M394-P403 HydrophobicContact CE-CG 4.32Å; M394-P403 HydrophobicContact SD-CB 4.09Å; M394-P403 HydrophobicContact SD-CG 3.81Å
395	I	66.3	Low	54.2	Low	65 Å²	65	99.4 Å²	99.4	33%	0.333	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	134.6	171.2	-53.6	-179.1	0	0	0	107.2	T397 E401 L402 K404 A407	I395-T397 PolarHBondContact O-N 3.04Å; I395-E401 WeakPolarHBondContact O-CA 3.33Å; I395-L402 PolarHBondContact N-O 2.88Å; I395-L402 PolarHBondContact O-N 2.85Å; I395-K404 HydrophobicContact CD1-CB 4.25Å; I395-K404 HydrophobicContact CD1-CG 3.72Å; I395-K404 HydrophobicContact CG1-CB 4.25Å; I395-K404 HydrophobicContact CG1-CD 4.44Å; I395-K404 HydrophobicContact CG1-CG 3.37Å; I395-A407 HydrophobicContact CD1-CB 3.73Å
396	N	66.4	Low	56.2	Low	125 Å²	125	89.1 Å²	89.1	67%	0.668	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	112.5	169.9	-69.2	-0.8	0	0	0	109.1	E401	N396-E401 WeakPolarHBondContact OD1-CG 3.24Å
397	T	68	Low	58.3	Low	37 Å²	37	86 Å²	86	23%	0.227	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	172.2	166.9	73.4	0	0	0	0	109.7	I395 L399 G400 L402	I395-T397 PolarHBondContact O-N 3.04Å; T397-L399 PolarHBondContact O-N 3.44Å; T397-L399 VanDerWaalsContact O-N 3.07Å; T397-L399 PolarHBondContact OG1-N 3.49Å; T397-G400 PolarHBondContact N-O 3.01Å; T397-G400 PolarHBondContact O-N 3.4Å; T397-G400 PolarHBondContact OG1-O 3.48Å; T397-G400 VanDerWaalsContact OG1-O 3.13Å; T397-L402 HydrophobicContact CG2-CB 4.03Å
398	K	65.4	Low	60.5	Low	218 Å²	218	83 Å²	83	95%	0.948	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-20	178.1	-66.2	-178.9	179.7	177.5	0	113.5
399	L	61.8	Low	62.7	Low	80 Å²	80	76.7 Å²	76.7	42%	0.419	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-7	-175.5	-67.9	165.8	0	0	0	113.6	A298 P300 T397	A298-L399 WeakPolarHBondContact O-CD1 3.16Å; P300-L399 HydrophobicContact CB-CD1 4.32Å; P300-L399 HydrophobicContact CG-CD1 3.79Å; P300-L399 HydrophobicContact CG-CD2 4.28Å; T397-L399 PolarHBondContact O-N 3.44Å; T397-L399 VanDerWaalsContact O-N 3.07Å; T397-L399 PolarHBondContact OG1-N 3.49Å
400	G	66.9	Low	64.8	Low	30 Å²	30	73.3 Å²	73.3	31%	0.309	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	145.7	-170	-179.7	0	0	0	0	0	114.2	T397	T397-G400 PolarHBondContact N-O 3.01Å; T397-G400 PolarHBondContact O-N 3.4Å; T397-G400 PolarHBondContact OG1-O 3.48Å; T397-G400 VanDerWaalsContact OG1-O 3.13Å
401	E	68.3	Low	66.8	Low	106 Å²	106	76.5 Å²	76.5	50%	0.495	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	129.7	173.3	-71.2	-174	-174.9	0	0	110.8	W307 M394 I395 N396	W307-E401 WeakPolarHBondContact CZ2-O 3.17Å; W307-E401 PolarHBondContact NE1-O 3.21Å; M394-E401 HydrophobicContact CB-CB 4.43Å; I395-E401 WeakPolarHBondContact O-CA 3.33Å; N396-E401 WeakPolarHBondContact OD1-CG 3.24Å
402	L	66.7	Low	68.7	Low	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.5	176.4	-164.8	98.6	0	0	0	109.6	Y302 M394 I395 T397 K404 A406 A407	Y302-L402 HydrophobicContact CE1-CD1 4.47Å; M394-L402 CarbonylContact C-O 3.56Å; I395-L402 PolarHBondContact N-O 2.88Å; I395-L402 PolarHBondContact O-N 2.85Å; T397-L402 HydrophobicContact CG2-CB 4.03Å; L402-K404 PolarHBondContact O-N 2.74Å; L402-A406 VanDerWaalsContact CD2-C 3.49Å; L402-A406 HydrophobicContact CD2-CB 4.08Å; L402-A406 HydrophobicContact CG-CB 4.11Å; L402-A407 HydrophobicContact CD2-CB 3.9Å
403	P	69.2	Low	70.3	Confident	8 Å²	8	71 Å²	71	5%	0.052	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	139.5	173.9	-25.2	33.2	0	0	0	112.2	L310 C392 M394 E405 A406 A407	L310-P403 HydrophobicContact CD1-CG 3.98Å; C392-P403 HydrophobicContact CB-CB 4.35Å; M394-P403 HydrophobicContact CE-CG 4.32Å; M394-P403 HydrophobicContact SD-CB 4.09Å; M394-P403 HydrophobicContact SD-CG 3.81Å; P403-E405 PolarHBondContact O-N 2.83Å; P403-E405 VanDerWaalsContact O-N 3.07Å; P403-A406 HydrophobicContact CB-CB 4.19Å; P403-A406 HydrophobicContact CG-CB 4.46Å; P403-A406 WeakPolarHBondContact O-CA 3.46Å; P403-A406 WeakPolarHBondContact O-CB 3.45Å; P403-A406 PolarHBondContact O-N 2.95Å; P403-A407 PolarHBondContact O-N 2.78Å
404	K	66.1	Low	71.7	Confident	126 Å²	126	69.7 Å²	69.7	55%	0.548	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-34.3	177.3	-79.5	-172.3	-171.9	179.1	0	113.2	A393 I395 L402 A406	A393-K404 HydrophobicContact CB-CD 3.57Å; A393-K404 HydrophobicContact CB-CG 4.06Å; A393-K404 WeakPolarHBondContact O-CB 3.44Å; A393-K404 VanDerWaalsContact O-CG 3.28Å; A393-K404 WeakPolarHBondContact O-CG 3.48Å; A393-K404 PolarHBondContact O-N 2.94Å; I395-K404 HydrophobicContact CD1-CB 4.25Å; I395-K404 HydrophobicContact CD1-CG 3.72Å; I395-K404 HydrophobicContact CG1-CB 4.25Å; I395-K404 HydrophobicContact CG1-CD 4.44Å; I395-K404 HydrophobicContact CG1-CG 3.37Å; L402-K404 PolarHBondContact O-N 2.74Å; K404-A406 VanDerWaalsContact C-N 3.32Å
405	E	66.4	Low	72.7	Confident	149 Å²	149	68.3 Å²	68.3	70%	0.696	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-20.1	179.6	-63.2	177.1	-170.3	0	0	113.4	P403	P403-E405 PolarHBondContact O-N 2.83Å; P403-E405 VanDerWaalsContact O-N 3.07Å
406	A	67.3	Low	73.8	Confident	11 Å²	11	67.3 Å²	67.3	9%	0.091	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-11.4	177.2	0	0	0	0	0	112.5	Y302 V306 L402 P403 K404 V408	Y302-A406 VanDerWaalsContact CE1-O 3.27Å; Y302-A406 WeakPolarHBondContact CE1-O 3.43Å; Y302-A406 PolarHBondContact OH-O 2.79Å; V306-A406 HydrophobicContact CG1-CB 4.09Å; V306-A406 HydrophobicContact CG2-CB 4.36Å; L402-A406 VanDerWaalsContact CD2-C 3.49Å; L402-A406 HydrophobicContact CD2-CB 4.08Å; L402-A406 HydrophobicContact CG-CB 4.11Å; P403-A406 HydrophobicContact CB-CB 4.19Å; P403-A406 HydrophobicContact CG-CB 4.46Å; P403-A406 WeakPolarHBondContact O-CA 3.46Å; P403-A406 WeakPolarHBondContact O-CB 3.45Å; P403-A406 PolarHBondContact O-N 2.95Å; K404-A406 VanDerWaalsContact C-N 3.32Å; A406-V408 PolarHBondContact O-N 2.89Å
407	A	69.9	Low	74.8	Confident	43 Å²	43	61.3 Å²	61.3	36%	0.355	32%	0.319	S	S	.	.			trans	-73.4	90.9	172.5	0	0	0	0	0	109.5	I395 L402 P403	I395-A407 HydrophobicContact CD1-CB 3.73Å; L402-A407 HydrophobicContact CD2-CB 3.9Å; P403-A407 PolarHBondContact O-N 2.78Å
408	V	74.3	Confident	75.8	Confident	34 Å²	34	65.7 Å²	65.7	21%	0.206	34%	0.337	C	S	.	.			trans	-124.5	129.4	-173.9	-176.9	0	0	0	0	110	L296 A406 I564	L296-V408 VanDerWaalsContact CB-O 3.26Å; L296-V408 WeakPolarHBondContact CB-O 3.2Å; L296-V408 WeakPolarHBondContact CG-O 3.31Å; L296-V408 PolarHBondContact N-O 3.28Å; A406-V408 PolarHBondContact O-N 2.89Å; V408-I564 HydrophobicContact CB-CD1 3.99Å; V408-I564 HydrophobicContact CG1-CD1 3.62Å; V408-I564 HydrophobicContact CG1-CG1 4.22Å
409	G	78.1	Confident	77	Confident	48 Å²	48	61.1 Å²	61.1	50%	0.495	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	139.5	163.6	0	0	0	0	0	110.6	L294	L294-G409 CarbonylContact O-C 3.56Å; L294-G409 VanDerWaalsContact O-CA 3.25Å; L294-G409 WeakPolarHBondContact O-CA 3.39Å
410	A	79.8	Confident	78	Confident	14 Å²	14	58.8 Å²	58.8	12%	0.116	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	131.1	177.5	0	0	0	0	0	110.8	L294 L296 M412	L294-A410 PolarHBondContact N-O 3.07Å; L294-A410 PolarHBondContact O-N 3.19Å; L296-A410 HydrophobicContact CD1-CB 3.99Å; L296-A410 HydrophobicContact CG-CB 4.3Å; A410-M412 HydrophobicContact CB-CE 4.08Å; A410-M412 PolarHBondContact O-N 2.77Å
411	Y	83.3	Confident	78.9	Confident	151 Å²	151	60.1 Å²	60.1	59%	0.592	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	119.1	165.9	-68.3	-78.6	0	0	0	108.6	R292 L293 I441	R292-Y411 CarbonylContact O-C 3.56Å; R292-Y411 WeakPolarHBondContact O-CA 3.47Å; L293-Y411 HydrophobicContact CB-CD1 3.94Å; L293-Y411 HydrophobicContact CB-CE1 3.72Å; L293-Y411 HydrophobicContact CD1-CD1 4.06Å; L293-Y411 HydrophobicContact CD1-CD2 4.23Å; L293-Y411 HydrophobicContact CD1-CE1 3.87Å; L293-Y411 HydrophobicContact CD1-CE2 4.07Å; L293-Y411 HydrophobicContact CD1-CG 4.23Å; L293-Y411 HydrophobicContact CD2-CE1 4.34Å; L293-Y411 HydrophobicContact CG-CE1 4.18Å; Y411-I441 HydrophobicContact CD1-CD1 3.88Å; Y411-I441 HydrophobicContact CE1-CD1 3.4Å; Y411-I441 VanDerWaalsContact CE1-CD1 3.4Å
412	M	83.1	Confident	79.8	Confident	17 Å²	17	56.7 Å²	56.7	8%	0.084	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139.2	178	-62.5	-159.3	-170.1	0	0	110.3	L291 R292 L294 L296 A410 V414 M484 F488	L291-M412 CarbonylContact C-O 3.47Å; L291-M412 WeakPolarHBondContact CA-O 3.19Å; R292-M412 PolarHBondContact N-O 3.42Å; R292-M412 PolarHBondContact O-N 2.94Å; L294-M412 HydrophobicContact CD1-CB 4.34Å; L294-M412 HydrophobicContact CD1-CE 3.84Å; L294-M412 HydrophobicContact CD1-CG 3.96Å; L294-M412 HydrophobicContact CD1-SD 3.42Å; L294-M412 WeakPolarHBondContact CD1-SD 3.34Å; L294-M412 HydrophobicContact CG-CG 4.33Å; L294-M412 HydrophobicContact CG-SD 4.38Å; L296-M412 HydrophobicContact CD2-CE 3.63Å; A410-M412 HydrophobicContact CB-CE 4.08Å; A410-M412 PolarHBondContact O-N 2.77Å; M412-V414 PolarHBondContact O-N 3.13Å; M412-M484 HydrophobicContact SD-CB 4Å; M412-F488 HydrophobicContact CE-CB 3.34Å; M412-F488 HydrophobicContact CE-CD1 3.74Å; M412-F488 HydrophobicContact CE-CD2 3.8Å; M412-F488 HydrophobicContact CE-CE1 4.5Å; M412-F488 HydrophobicContact CE-CG 3.32Å; M412-F488 HydrophobicContact SD-CB 3.7Å; M412-F488 HydrophobicContact SD-CD2 4.44Å; M412-F488 HydrophobicContact SD-CG 4.18Å
413	K	87.2	Confident	80.7	Confident	102 Å²	102	57 Å²	57	44%	0.443	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	120	171.9	178.3	177.7	173.8	166.9	0	109.1	E289 L291 T416	E289-K413 HydrophobicContact CG-CD 4.38Å; E289-K413 WeakPolarHBondContact OE1-CD 3.47Å; E289-K413 WeakPolarHBondContact OE1-CE 3.5Å; E289-K413 IonicContact OE1-NZ 3.76Å; E289-K413 PolarHBondContact OE1-NZ 2.94Å; L291-K413 HydrophobicContact CD2-CB 3.97Å; L291-K413 HydrophobicContact CD2-CG 4.44Å; K413-T416 WeakPolarHBondContact CE-OG1 3.21Å; K413-T416 PolarHBondContact NZ-OG1 3.5Å
414	V	85	Confident	81.2	Confident	24 Å²	24	56.6 Å²	56.6	15%	0.145	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-46.8	-177.8	-168.6	0	0	0	0	110.7	V290 R292 M412 F478 P479 M484	V290-V414 HydrophobicContact CG1-CB 4.17Å; V290-V414 HydrophobicContact CG1-CG2 4.5Å; V290-V414 PolarHBondContact O-N 3.2Å; R292-V414 HydrophobicContact CB-CG2 3.41Å; R292-V414 VanDerWaalsContact CB-CG2 3.41Å; M412-V414 PolarHBondContact O-N 3.13Å; V414-F478 HydrophobicContact CB-CD1 4.42Å; V414-F478 HydrophobicContact CG1-CB 4.05Å; V414-F478 HydrophobicContact CG1-CD1 3.44Å; V414-F478 VanDerWaalsContact CG1-CD1 3.44Å; V414-F478 HydrophobicContact CG1-CE1 4.24Å; V414-F478 HydrophobicContact CG1-CG 4.07Å; V414-P479 HydrophobicContact CG1-CG 3.89Å; V414-M484 HydrophobicContact CG1-SD 4.29Å; V414-M484 HydrophobicContact CG2-SD 3.92Å
415	H	86.5	Confident	81.6	Confident	46 Å²	46	51.4 Å²	51.4	21%	0.213	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	148.5	-176.6	-174.3	46.9	0	0	0	110.9	V290 E421 F478	V290-H415 HydrophobicContact CB-CB 4.22Å; V290-H415 HydrophobicContact CG2-CB 4.5Å; V290-H415 PolarHBondContact N-O 2.95Å; V290-H415 PolarHBondContact O-N 2.86Å; H415-E421 IonicContact CD2-OE2 3.55Å; H415-E421 IonicContact CE1-OE2 2.8Å; H415-E421 IonicContact NE2-OE1 3.89Å; H415-E421 IonicContact NE2-OE2 2.99Å; H415-E421 PolarHBondContact NE2-OE2 2.82Å; H415-F478 HydrophobicContact CB-CE1 3.94Å
416	T	89.3	Confident	81.6	Confident	44 Å²	44	45.2 Å²	45.2	27%	0.27	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	117.2	168.2	-41.7	0	0	0	0	107	C288 K413	C288-T416 CarbonylContact O-C 3.6Å; C288-T416 WeakPolarHBondContact O-CA 3.31Å; K413-T416 WeakPolarHBondContact CE-OG1 3.21Å; K413-T416 PolarHBondContact NZ-OG1 3.5Å
417	V	88.1	Confident	81.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.6	-177.1	-164.8	0	0	0	0	108	I283 S287 C288 V290 E421 L423 L442	I283-V417 HydrophobicContact CD1-CB 3.54Å; I283-V417 HydrophobicContact CD1-CG1 3.22Å; I283-V417 HydrophobicContact CG1-CG1 3.99Å; S287-V417 VanDerWaalsContact CA-O 3.26Å; S287-V417 WeakPolarHBondContact CA-O 3.38Å; S287-V417 WeakPolarHBondContact CB-O 3.44Å; C288-V417 HydrophobicContact CB-CB 4.15Å; C288-V417 HydrophobicContact CB-CG2 4.33Å; C288-V417 PolarHBondContact N-O 3.24Å; C288-V417 PolarHBondContact O-N 2.75Å; V290-V417 HydrophobicContact CG2-CG2 3.57Å; V417-E421 WeakPolarHBondContact CA-OE2 3.3Å; V417-E421 HydrophobicContact CG1-CB 3.58Å; V417-E421 HydrophobicContact CG1-CG 4.41Å; V417-E421 VanDerWaalsContact CG1-OE2 3.24Å; V417-E421 WeakPolarHBondContact CG1-OE2 3.48Å; V417-L423 HydrophobicContact CB-CD1 4.34Å; V417-L423 HydrophobicContact CG1-CD1 3.92Å; V417-L423 HydrophobicContact CG1-CD2 3.89Å; V417-L423 HydrophobicContact CG1-CG 3.9Å; V417-L423 HydrophobicContact CG2-CD1 3.96Å; V417-L423 HydrophobicContact CG2-CD2 3.79Å; V417-L423 HydrophobicContact CG2-CG 4.34Å; V417-L442 HydrophobicContact CG2-CD1 4.44Å
418	E	89.5	Confident	80.9	Confident	128 Å²	128	46.5 Å²	46.5	60%	0.598	25%	0.249	S	C	*	.			trans	-95.7	175	-178.4	-62.5	-167.3	172.5	0	0	112.3	G420 E421	E418-G420 PolarHBondContact O-N 2.75Å; E418-E421 WeakPolarHBondContact O-CB 3.13Å; E418-E421 PolarHBondContact O-N 2.83Å
419	Q	89.6	Confident	80.3	Confident	123 Å²	123	47.9 Å²	47.9	58%	0.575	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	132.4	179.1	-177	177.3	5.1	0	0	111.2	S284 E421	S284-Q419 VanDerWaalsContact O-CD 3.28Å; S284-Q419 VanDerWaalsContact O-CG 3.25Å; S284-Q419 WeakPolarHBondContact O-CG 3.47Å; S284-Q419 PolarHBondContact O-NE2 2.84Å; Q419-E421 VanDerWaalsContact C-N 3.34Å
420	G	83.4	Confident	79.5	Confident	31 Å²	31	48.3 Å²	48.3	32%	0.32	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	-9.8	-178.5	0	0	0	0	0	114.5	M241 I283 E418	M241-G420 VanDerWaalsContact CE-O 3.24Å; M241-G420 WeakPolarHBondContact CE-O 3.04Å; I283-G420 PolarHBondContact O-N 3.37Å; E418-G420 PolarHBondContact O-N 2.75Å
421	E	86.4	Confident	78.6	Confident	58 Å²	58	51.3 Å²	51.3	27%	0.271	26%	0.261	S	S	.	.			trans	-75.7	158	173.9	-69.1	-169.8	-179	0	0	112.4	I283 H415 V417 E418 Q419	I283-E421 PolarHBondContact N-O 3.46Å; I283-E421 VanDerWaalsContact N-O 3.09Å; H415-E421 IonicContact CD2-OE2 3.55Å; H415-E421 IonicContact CE1-OE2 2.8Å; H415-E421 IonicContact NE2-OE1 3.89Å; H415-E421 IonicContact NE2-OE2 2.99Å; H415-E421 PolarHBondContact NE2-OE2 2.82Å; V417-E421 WeakPolarHBondContact CA-OE2 3.3Å; V417-E421 HydrophobicContact CG1-CB 3.58Å; V417-E421 HydrophobicContact CG1-CG 4.41Å; V417-E421 VanDerWaalsContact CG1-OE2 3.24Å; V417-E421 WeakPolarHBondContact CG1-OE2 3.48Å; E418-E421 WeakPolarHBondContact O-CB 3.13Å; E418-E421 PolarHBondContact O-N 2.83Å; Q419-E421 VanDerWaalsContact C-N 3.34Å
422	I	87.3	Confident	77.3	Confident	33 Å²	33	53.3 Å²	53.3	17%	0.169	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133.6	-175.4	-52.2	174.6	0	0	0	109.9	M241 L243 I280 F282 L425	M241-I422 HydrophobicContact CE-CD1 3.78Å; M241-I422 HydrophobicContact CE-CG1 3.86Å; L243-I422 HydrophobicContact CD1-CD1 3.05Å; L243-I422 HydrophobicContact CD1-CG1 4.41Å; I280-I422 HydrophobicContact CG2-CG2 3.7Å; F282-I422 HydrophobicContact CD1-CB 4.47Å; F282-I422 HydrophobicContact CD1-CD1 3.87Å; F282-I422 HydrophobicContact CD1-CG1 3.62Å; F282-I422 HydrophobicContact CD1-CG2 4.21Å; F282-I422 HydrophobicContact CE1-CD1 3.49Å; F282-I422 VanDerWaalsContact CE1-CD1 3.49Å; F282-I422 HydrophobicContact CE1-CG1 3.74Å; F282-I422 HydrophobicContact CE1-CG2 3.98Å; F282-I422 HydrophobicContact CZ-CG2 4.27Å; I422-L425 HydrophobicContact CG2-CD1 3.79Å; I422-L425 HydrophobicContact CG2-CG 4.28Å
423	L	85.3	Confident	75.8	Confident	6 Å²	6	56.3 Å²	56.3	3%	0.031	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	153.7	178.2	-60.2	173.3	0	0	0	110.8	F274 I280 M281 I283 V417 L442	F274-L423 HydrophobicContact CD2-CB 4.4Å; F274-L423 HydrophobicContact CE2-CD2 4.3Å; I280-L423 WeakPolarHBondContact CG2-O 3.32Å; M281-L423 HydrophobicContact CB-CB 4.28Å; M281-L423 HydrophobicContact CE-CB 4.3Å; M281-L423 PolarHBondContact N-O 3.07Å; M281-L423 PolarHBondContact O-N 3.44Å; I283-L423 HydrophobicContact CD1-CD1 4.46Å; V417-L423 HydrophobicContact CB-CD1 4.34Å; V417-L423 HydrophobicContact CG1-CD1 3.92Å; V417-L423 HydrophobicContact CG1-CD2 3.89Å; V417-L423 HydrophobicContact CG1-CG 3.9Å; V417-L423 HydrophobicContact CG2-CD1 3.96Å; V417-L423 HydrophobicContact CG2-CD2 3.79Å; V417-L423 HydrophobicContact CG2-CG 4.34Å; L423-L442 HydrophobicContact CD1-CD1 3.57Å; L423-L442 HydrophobicContact CD1-CD2 3.54Å; L423-L442 HydrophobicContact CD1-CG 4.22Å
424	G	79	Confident	74.5	Confident	1 Å²	1	58 Å²	58	1%	0.01	32%	0.321	C	S	.	.	S	Bend	trans	92.2	-9.3	-178.3	0	0	0	0	0	114.8	K454	G424-K454 WeakPolarHBondContact O-CE 3.47Å; G424-K454 PolarHBondContact O-NZ 2.98Å
425	L	75.1	Confident	73.4	Confident	16 Å²	16	58.7 Å²	58.7	8%	0.084	33%	0.326	C	S	.	.			trans	-98.8	-12.6	176.2	-69.6	177.4	0	0	0	114.8	I280 I422 Q427 A428 F429 F457 Y458 L471	I280-L425 HydrophobicContact CD1-CD2 3.54Å; I280-L425 HydrophobicContact CD1-CG 4.12Å; I280-L425 HydrophobicContact CG1-CD2 3.96Å; I280-L425 HydrophobicContact CG1-CG 4.2Å; I280-L425 HydrophobicContact CG2-CD1 4.2Å; I280-L425 HydrophobicContact CG2-CG 4.04Å; I422-L425 HydrophobicContact CG2-CD1 3.79Å; I422-L425 HydrophobicContact CG2-CG 4.28Å; L425-Q427 PolarHBondContact O-N 3.42Å; L425-A428 HydrophobicContact CD2-CB 4.05Å; L425-A428 WeakPolarHBondContact O-CB 3.07Å; L425-A428 PolarHBondContact O-N 3.39Å; L425-F429 HydrophobicContact CD2-CE2 4.32Å; L425-F457 HydrophobicContact CD1-CE1 3.83Å; L425-F457 HydrophobicContact CD1-CZ 4.37Å; L425-F457 HydrophobicContact CD2-CD1 4.38Å; L425-F457 HydrophobicContact CD2-CE1 4.14Å; L425-Y458 HydrophobicContact CD2-CE1 3.9Å; L425-L471 HydrophobicContact CD1-CD1 4.3Å; L425-L471 HydrophobicContact CD1-CD2 3.67Å
426	H	65.6	Low	72.4	Confident	20 Å²	20	58 Å²	58	9%	0.093	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-18.8	-178	58.7	-61.8	0	0	0	116.4	F274 N475 F478	F274-H426 AromaticContact CD2-CE1 3.28Å; F274-H426 WeakPolarHBondContact CD2-CE1 3.32Å; F274-H426 AromaticContact CD2-ND1 3.96Å; F274-H426 AromaticContact CD2-NE2 3.86Å; F274-H426 AromaticContact CE2-CE1 3.19Å; F274-H426 WeakPolarHBondContact CE2-CE1 3.4Å; F274-H426 AromaticContact CE2-ND1 3.63Å; F274-H426 AromaticContact CE2-NE2 3.47Å; F274-H426 WeakPolarHBondContact CE2-NE2 3.37Å; H426-N475 WeakPolarHBondContact CA-OD1 3.45Å; H426-N475 PolarHBondContact O-ND2 2.87Å; H426-N475 PolarHBondContact O-OD1 3.15Å; H426-F478 HydrophobicContact CB-CE2 4.3Å; H426-F478 AromaticContact CD2-CE2 3.73Å
427	Q	62.7	Low	71.4	Confident	41 Å²	41	61.9 Å²	61.9	19%	0.192	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-0.6	176.8	-59.9	178.9	17.6	0	0	113.7	L425 F429 L430 D436	L425-Q427 PolarHBondContact O-N 3.42Å; Q427-F429 PolarHBondContact O-N 2.89Å; Q427-L430 PolarHBondContact O-N 3.39Å; Q427-D436 PolarHBondContact NE2-O 3.06Å; Q427-D436 PolarHBondContact OE1-O 3.34Å
428	A	60.8	Low	70.9	Confident	39 Å²	39	65.6 Å²	65.6	32%	0.322	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-26.8	-170.6	0	0	0	0	0	114	L425 Y458	L425-A428 HydrophobicContact CD2-CB 4.05Å; L425-A428 WeakPolarHBondContact O-CB 3.07Å; L425-A428 PolarHBondContact O-N 3.39Å; A428-Y458 HydrophobicContact CB-CE1 4.32Å; A428-Y458 WeakPolarHBondContact CB-OH 3.46Å
429	F	61	Low	70.4	Confident	64 Å²	64	62.7 Å²	62.7	28%	0.281	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	12.9	-172.8	-53.6	-75.8	0	0	0	112.9	L425 Q427 Y458 I468 L471 L472	L425-F429 HydrophobicContact CD2-CE2 4.32Å; Q427-F429 PolarHBondContact O-N 2.89Å; F429-Y458 HydrophobicContact CZ-CE1 4.29Å; F429-I468 HydrophobicContact CD1-CG2 4.17Å; F429-I468 HydrophobicContact CE1-CG2 4.21Å; F429-L471 HydrophobicContact CD2-CB 4.48Å; F429-L471 HydrophobicContact CE2-CB 4.01Å; F429-L471 HydrophobicContact CE2-CD1 3.75Å; F429-L471 HydrophobicContact CZ-CD1 3.84Å; F429-L472 HydrophobicContact CB-CD2 3.62Å; F429-L472 HydrophobicContact CB-CG 4.46Å; F429-L472 HydrophobicContact CG-CD2 4.44Å
430	L	61	Low	70.2	Confident	56 Å²	56	56.9 Å²	56.9	29%	0.293	33%	0.327	S	S	.	.	S	Bend	trans	-87.8	144.7	174	-69	173.8	0	0	0	109.7	Q427	Q427-L430 PolarHBondContact O-N 3.39Å
431	P	60.5	Low	70.4	Confident	77 Å²	77	56.6 Å²	56.6	50%	0.5	32%	0.318	S	S	.	.			trans	-61.9	147.4	172.3	24.9	-30.8	0	0	0	110.3	G433 E434 C435	P431-G433 PolarHBondContact O-N 3.13Å; P431-E434 HydrophobicContact CG-CB 4.19Å; P431-E434 HydrophobicContact CG-CG 4.09Å; P431-E434 PolarHBondContact O-N 3.47Å; P431-C435 PolarHBondContact O-N 3.01Å
432	E	56.6	Low	70.6	Confident	193 Å²	193	53.9 Å²	53.9	90%	0.902	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-23.3	-173.1	-67.7	-179.6	169.5	0	0	114.5
433	G	53.1	Low	70.8	Confident	81 Å²	81	55 Å²	55	84%	0.835	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-15.8	176.5	0	0	0	0	0	116	P431	P431-G433 PolarHBondContact O-N 3.13Å
434	E	59.6	Low	71.1	Confident	138 Å²	138	54.8 Å²	54.8	65%	0.645	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-2.2	-178.8	-66.9	-176.5	176.5	0	0	112.9	P431 D436	P431-E434 HydrophobicContact CG-CB 4.19Å; P431-E434 HydrophobicContact CG-CG 4.09Å; P431-E434 PolarHBondContact O-N 3.47Å; E434-D436 PolarHBondContact O-N 3.49Å
435	C	60.5	Low	71.7	Confident	37 Å²	37	56.8 Å²	56.8	25%	0.25	32%	0.32	C	S	.	.			trans	-66.4	126.1	177.3	-69.7	0	0	0	0	111	P431 T437	P431-C435 PolarHBondContact O-N 3.01Å; C435-T437 PolarHBondContact O-N 3.33Å
436	D	67	Low	72.3	Confident	31 Å²	31	57.6 Å²	57.6	17%	0.166	33%	0.333	C	S	.	.			trans	-74.2	97	176.3	-169	-6.7	0	0	0	110.1	R292 Q427 E434 R438	R292-D436 IonicContact CZ-OD2 3.62Å; R292-D436 IonicContact NH1-OD2 3.36Å; R292-D436 IonicContact NH2-OD2 3.02Å; R292-D436 PolarHBondContact NH2-OD2 2.91Å; Q427-D436 PolarHBondContact NE2-O 3.06Å; Q427-D436 PolarHBondContact OE1-O 3.34Å; E434-D436 PolarHBondContact O-N 3.49Å; D436-R438 VanDerWaalsContact CG-NH2 3.31Å; D436-R438 PolarHBondContact O-N 3.4Å; D436-R438 VanDerWaalsContact O-N 3.1Å; D436-R438 WeakPolarHBondContact OD1-CB 3.47Å; D436-R438 VanDerWaalsContact OD1-CG 3.27Å; D436-R438 WeakPolarHBondContact OD1-CG 3.48Å; D436-R438 IonicContact OD1-CZ 3.68Å; D436-R438 PolarHBondContact OD1-N 3.11Å; D436-R438 VanDerWaalsContact OD1-N 3.1Å; D436-R438 IonicContact OD1-NE 3.78Å; D436-R438 PolarHBondContact OD1-NE 3.33Å; D436-R438 IonicContact OD1-NH2 3.59Å; D436-R438 PolarHBondContact OD1-NH2 2.88Å; D436-R438 IonicContact OD2-CZ 3.57Å; D436-R438 IonicContact OD2-NE 2.63Å; D436-R438 PolarHBondContact OD2-NE 2.55Å; D436-R438 IonicContact OD2-NH2 2.74Å; D436-R438 PolarHBondContact OD2-NH2 3.24Å
437	T	68.3	Low	73.3	Confident	127 Å²	127	56.9 Å²	56.9	78%	0.779	33%	0.329	S	S	*	.			trans	-71.1	2.3	178.6	52.9	0	0	0	0	113.8	C435	C435-T437 PolarHBondContact O-N 3.33Å
438	R	76	Confident	74.7	Confident	77 Å²	77	56.6 Å²	56.6	29%	0.291	33%	0.328	S	S	.	.	S	Bend	trans	-81.7	137.4	-178.5	-62.1	173.5	-68.1	-162	-6.6	111	D436 L440 D481	D436-R438 VanDerWaalsContact CG-NH2 3.31Å; D436-R438 PolarHBondContact O-N 3.4Å; D436-R438 VanDerWaalsContact O-N 3.1Å; D436-R438 WeakPolarHBondContact OD1-CB 3.47Å; D436-R438 VanDerWaalsContact OD1-CG 3.27Å; D436-R438 WeakPolarHBondContact OD1-CG 3.48Å; D436-R438 IonicContact OD1-CZ 3.68Å; D436-R438 PolarHBondContact OD1-N 3.11Å; D436-R438 VanDerWaalsContact OD1-N 3.1Å; D436-R438 IonicContact OD1-NE 3.78Å; D436-R438 PolarHBondContact OD1-NE 3.33Å; D436-R438 IonicContact OD1-NH2 3.59Å; D436-R438 PolarHBondContact OD1-NH2 2.88Å; D436-R438 IonicContact OD2-CZ 3.57Å; D436-R438 IonicContact OD2-NE 2.63Å; D436-R438 PolarHBondContact OD2-NE 2.55Å; D436-R438 IonicContact OD2-NH2 2.74Å; D436-R438 PolarHBondContact OD2-NH2 3.24Å; R438-L440 PolarHBondContact O-N 3.27Å; R438-D481 VanDerWaalsContact CD-OD2 3.31Å; R438-D481 WeakPolarHBondContact CD-OD2 3.43Å; R438-D481 IonicContact CZ-OD1 2.83Å; R438-D481 IonicContact CZ-OD2 3.44Å; R438-D481 IonicContact NE-OD2 3.44Å; R438-D481 IonicContact NH1-OD1 3.4Å; R438-D481 PolarHBondContact NH1-OD1 2.6Å; R438-D481 IonicContact NH1-OD2 2.7Å; R438-D481 PolarHBondContact NH1-OD2 3.41Å
439	P	80.5	Confident	76.1	Confident	68 Å²	68	54.8 Å²	54.8	44%	0.442	31%	0.313	S	S	.	.			trans	-68.5	128.1	-176.2	27.2	-34.4	0	0	0	111.7	D273	D273-P439 HydrophobicContact CB-CB 4.37Å; D273-P439 WeakPolarHBondContact OD2-CA 3.49Å
440	L	85.3	Confident	77.6	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	113.9	175.3	-69.8	172.6	0	0	0	109.8	D273 F274 V290 R292 R438 F478	D273-L440 VanDerWaalsContact CA-O 3.26Å; D273-L440 WeakPolarHBondContact CA-O 3.29Å; D273-L440 PolarHBondContact OD1-N 3.38Å; F274-L440 HydrophobicContact CD1-CB 3.85Å; F274-L440 WeakPolarHBondContact CD1-O 3.44Å; F274-L440 HydrophobicContact CE1-CB 3.33Å; F274-L440 HydrophobicContact CE1-CD1 4.35Å; F274-L440 HydrophobicContact CE1-CG 4.41Å; F274-L440 HydrophobicContact CE2-CB 4.5Å; F274-L440 HydrophobicContact CE2-CD1 4.31Å; F274-L440 HydrophobicContact CZ-CB 3.68Å; F274-L440 HydrophobicContact CZ-CD1 3.81Å; F274-L440 HydrophobicContact CZ-CG 4.35Å; F274-L440 PolarHBondContact N-O 3.45Å; V290-L440 HydrophobicContact CG1-CB 4.4Å; V290-L440 HydrophobicContact CG1-CD2 3.95Å; R292-L440 HydrophobicContact CB-CD2 4.33Å; R438-L440 PolarHBondContact O-N 3.27Å; L440-F478 HydrophobicContact CD1-CD2 3.74Å; L440-F478 HydrophobicContact CD1-CE2 3.49Å; L440-F478 VanDerWaalsContact CD1-CE2 3.49Å; L440-F478 HydrophobicContact CD1-CZ 4.18Å
441	I	87.7	Confident	79.1	Confident	26 Å²	26	51.2 Å²	51.2	13%	0.133	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	133.8	-178.8	-65.4	161.8	0	0	0	108.8	L269 K272 V290 L291 Y411 M443	L269-I441 HydrophobicContact CD1-CG2 3.52Å; K272-I441 WeakPolarHBondContact O-CG1 3.46Å; V290-I441 CarbonylContact C-O 3.58Å; V290-I441 WeakPolarHBondContact CA-O 3.34Å; L291-I441 HydrophobicContact CB-CB 4.18Å; L291-I441 HydrophobicContact CB-CG2 4.46Å; L291-I441 PolarHBondContact N-O 3.46Å; L291-I441 PolarHBondContact O-N 3Å; Y411-I441 HydrophobicContact CD1-CD1 3.88Å; Y411-I441 HydrophobicContact CE1-CD1 3.4Å; Y411-I441 VanDerWaalsContact CE1-CD1 3.4Å; I441-M443 HydrophobicContact CG2-CG 4.09Å
442	L	89.5	Confident	80.5	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	118.3	176.1	-171.1	65.7	0	0	0	110.3	I270 S271 F274 M281 C288 V290 V417 L423	I270-L442 HydrophobicContact CB-CB 4.25Å; I270-L442 HydrophobicContact CB-CD2 4.04Å; I270-L442 HydrophobicContact CB-CG 4.1Å; I270-L442 WeakPolarHBondContact CB-O 3.41Å; I270-L442 HydrophobicContact CD1-CD2 4.04Å; I270-L442 HydrophobicContact CD1-CG 3.97Å; I270-L442 HydrophobicContact CG2-CD2 3.82Å; I270-L442 HydrophobicContact CG2-CG 4.43Å; I270-L442 PolarHBondContact N-O 3.25Å; S271-L442 PolarHBondContact N-O 2.9Å; S271-L442 PolarHBondContact O-N 3.13Å; F274-L442 HydrophobicContact CD1-CB 3.77Å; F274-L442 HydrophobicContact CE1-CB 4.31Å; M281-L442 HydrophobicContact CE-CD2 3.74Å; M281-L442 HydrophobicContact SD-CD2 3.91Å; C288-L442 HydrophobicContact CB-CD1 3.59Å; C288-L442 HydrophobicContact CB-CG 4.29Å; V290-L442 HydrophobicContact CG2-CD1 3.87Å; V417-L442 HydrophobicContact CG2-CD1 4.44Å; L423-L442 HydrophobicContact CD1-CD1 3.57Å; L423-L442 HydrophobicContact CD1-CD2 3.54Å; L423-L442 HydrophobicContact CD1-CG 4.22Å
443	M	91.7	Very high	82	Confident	57 Å²	57	44.5 Å²	44.5	28%	0.281	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.1	176	-62.6	-141.1	-49.2	0	0	111.5	L269 C288 E289 L291 I441	L269-M443 HydrophobicContact CD1-CG 4.38Å; C288-M443 CarbonylContact C-O 3.58Å; C288-M443 VanDerWaalsContact CA-O 3.29Å; C288-M443 WeakPolarHBondContact CA-O 3.16Å; C288-M443 WeakPolarHBondContact CB-O 3.39Å; E289-M443 PolarHBondContact N-O 3.46Å; E289-M443 PolarHBondContact O-N 3.27Å; L291-M443 HydrophobicContact CD1-CE 3.48Å; L291-M443 VanDerWaalsContact CD1-CE 3.48Å; L291-M443 HydrophobicContact CD1-CG 3.79Å; L291-M443 HydrophobicContact CD1-SD 3.85Å; L291-M443 HydrophobicContact CG-CG 4.35Å; I441-M443 HydrophobicContact CG2-CG 4.09Å
444	S	92.3	Very high	83.6	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	136.7	176.4	-176.2	0	0	0	0	111.4	F264 S265 G267 Q268 G446 N447	F264-S444 WeakPolarHBondContact CB-OG 3.4Å; F264-S444 PolarHBondContact O-OG 3.32Å; S265-S444 WeakPolarHBondContact O-CB 3.49Å; S265-S444 PolarHBondContact O-OG 3.25Å; G267-S444 PolarHBondContact N-O 3.16Å; Q268-S444 WeakPolarHBondContact O-CB 3.25Å; Q268-S444 PolarHBondContact O-N 3.03Å; S444-G446 VanDerWaalsContact C-N 3.34Å; S444-G446 PolarHBondContact OG-N 3.26Å; S444-N447 VanDerWaalsContact CB-OD1 3.32Å; S444-N447 WeakPolarHBondContact CB-OD1 3.39Å; S444-N447 PolarHBondContact OG-N 3.21Å; S444-N447 PolarHBondContact OG-OD1 3.06Å
445	L	90.2	Very high	84.8	Confident	43 Å²	43	41.7 Å²	41.7	23%	0.225	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	26.1	162.8	-59.1	-178.7	0	0	0	111.6	Y266 S287 E289	Y266-L445 HydrophobicContact CD2-CB 4.11Å; Y266-L445 HydrophobicContact CD2-CD2 4.24Å; Y266-L445 WeakPolarHBondContact CD2-O 3.49Å; Y266-L445 HydrophobicContact CE2-CB 4.11Å; Y266-L445 HydrophobicContact CE2-CD2 3.61Å; Y266-L445 HydrophobicContact CE2-CG 4.43Å; S287-L445 WeakPolarHBondContact O-CB 3.26Å; S287-L445 PolarHBondContact O-N 3.31Å; E289-L445 HydrophobicContact CG-CD1 3.63Å; E289-L445 HydrophobicContact CG-CD2 4.08Å; E289-L445 HydrophobicContact CG-CG 3.91Å
446	G	87.6	Confident	85.8	Confident	34 Å²	34	41.3 Å²	41.3	35%	0.351	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	89.3	84.1	-171.1	0	0	0	0	0	110.2	F264 S444	F264-G446 WeakPolarHBondContact O-CA 3.44Å; S444-G446 VanDerWaalsContact C-N 3.34Å; S444-G446 PolarHBondContact OG-N 3.26Å
447	N	87.9	Confident	86.7	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.027	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	155.2	-173.7	76	-39.6	0	0	0	113.2	F264 K285 C288 S444	F264-N447 WeakPolarHBondContact CB-OD1 3.49Å; F264-N447 PolarHBondContact N-O 3.37Å; F264-N447 PolarHBondContact O-N 3.3Å; F264-N447 VanDerWaalsContact O-N 3.16Å; K285-N447 CarbonylContact O-C 3.56Å; K285-N447 VanDerWaalsContact O-CA 3.23Å; K285-N447 WeakPolarHBondContact O-CA 3.34Å; K285-N447 VanDerWaalsContact O-CB 3.31Å; K285-N447 WeakPolarHBondContact O-CB 3.42Å; C288-N447 VanDerWaalsContact SG-CG 3.55Å; C288-N447 PolarHBondContact SG-ND2 3.41Å; S444-N447 VanDerWaalsContact CB-OD1 3.32Å; S444-N447 WeakPolarHBondContact CB-OD1 3.39Å; S444-N447 PolarHBondContact OG-N 3.21Å; S444-N447 PolarHBondContact OG-OD1 3.06Å
448	E	90.8	Very high	87.4	Confident	34 Å²	34	36.7 Å²	36.7	16%	0.159	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120.7	165.9	-55.8	-170.5	147	0	0	107.3	R263 S284 K285	R263-E448 HydrophobicContact CG-CG 4.12Å; R263-E448 IonicContact CZ-OE1 3.66Å; R263-E448 IonicContact NE-OE1 2.84Å; R263-E448 PolarHBondContact NE-OE1 3.35Å; R263-E448 IonicContact NH2-OE1 3.89Å; S284-E448 WeakPolarHBondContact CA-O 2.84Å; S284-E448 WeakPolarHBondContact CB-O 3.37Å; S284-E448 PolarHBondContact N-O 3.43Å; K285-E448 HydrophobicContact CB-CB 4.14Å; K285-E448 HydrophobicContact CB-CG 4.2Å; K285-E448 VanDerWaalsContact CD-OE2 3.22Å; K285-E448 WeakPolarHBondContact CD-OE2 3.25Å; K285-E448 WeakPolarHBondContact CE-OE2 3.26Å; K285-E448 PolarHBondContact N-O 3.43Å; K285-E448 VanDerWaalsContact N-O 3.15Å; K285-E448 IonicContact NZ-OE1 3.25Å; K285-E448 IonicContact NZ-OE2 2.72Å; K285-E448 PolarHBondContact NZ-OE2 3.47Å; K285-E448 PolarHBondContact O-N 3.18Å
449	L	91.8	Very high	87.8	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	147.9	-179.8	65.5	85.4	0	0	0	110.9	I261 E262 F264 I270 M281 F282 R451	I261-L449 CarbonylContact C-O 3.56Å; I261-L449 WeakPolarHBondContact CA-O 3.05Å; E262-L449 HydrophobicContact CB-CD1 3.96Å; E262-L449 HydrophobicContact CB-CG 4.32Å; E262-L449 PolarHBondContact N-O 3.17Å; E262-L449 PolarHBondContact O-N 3.5Å; F264-L449 HydrophobicContact CD2-CD2 3.52Å; F264-L449 HydrophobicContact CD2-CG 3.97Å; F264-L449 HydrophobicContact CE2-CD1 4.05Å; F264-L449 HydrophobicContact CE2-CD2 3.33Å; F264-L449 HydrophobicContact CE2-CG 3.7Å; F264-L449 HydrophobicContact CZ-CD2 4.34Å; I270-L449 HydrophobicContact CD1-CD2 3.86Å; I270-L449 HydrophobicContact CG1-CD2 4.25Å; I270-L449 HydrophobicContact CG2-CD2 3.69Å; M281-L449 HydrophobicContact CG-CD1 4.35Å; F282-L449 CarbonylContact O-C 3.58Å; F282-L449 VanDerWaalsContact O-CA 3.32Å; F282-L449 WeakPolarHBondContact O-CA 3.38Å; L449-R451 HydrophobicContact CD1-CB 4.46Å; L449-R451 HydrophobicContact CD1-CG 3.51Å
450	I	92.7	Very high	87.8	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	118.1	174.4	-55.3	169.1	0	0	0	107.4	R234 F237 F238 K260 I261 M281 F282	R234-I450 HydrophobicContact CG-CD1 4.08Å; F237-I450 HydrophobicContact CD1-CD1 3.59Å; F237-I450 HydrophobicContact CE1-CD1 3.9Å; F237-I450 HydrophobicContact CG-CD1 4.26Å; F238-I450 HydrophobicContact CE2-CG2 4.35Å; F238-I450 HydrophobicContact CZ-CB 4.45Å; F238-I450 HydrophobicContact CZ-CD1 4.21Å; F238-I450 HydrophobicContact CZ-CG2 3.74Å; K260-I450 CarbonylContact O-C 3.59Å; K260-I450 WeakPolarHBondContact O-CA 3.42Å; I261-I450 HydrophobicContact CG1-CG1 4.39Å; M281-I450 WeakPolarHBondContact CA-O 3.22Å; F282-I450 HydrophobicContact CB-CB 4.26Å; F282-I450 PolarHBondContact N-O 3.36Å; F282-I450 PolarHBondContact O-N 3.14Å
451	R	91.3	Very high	87.5	Confident	44 Å²	44	37.7 Å²	37.7	17%	0.166	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	137.5	176.8	-86.6	174.3	-173.3	176.3	-1.5	111.7	S259 K260 E262 I270 F279 I280 M281 L449	S259-R451 CarbonylContact C-O 3.53Å; S259-R451 WeakPolarHBondContact CA-O 3.29Å; K260-R451 PolarHBondContact N-O 2.98Å; K260-R451 PolarHBondContact O-N 3.03Å; E262-R451 WeakPolarHBondContact OE1-CD 3.33Å; E262-R451 IonicContact OE1-CZ 3.39Å; E262-R451 IonicContact OE1-NE 2.72Å; E262-R451 IonicContact OE1-NH1 3.46Å; E262-R451 PolarHBondContact OE1-NH1 3.35Å; E262-R451 WeakPolarHBondContact OE2-CD 3.42Å; E262-R451 IonicContact OE2-CZ 2.61Å; E262-R451 IonicContact OE2-NE 3.7Å; E262-R451 PolarHBondContact OE2-NE 3.45Å; E262-R451 VanDerWaalsContact OE2-NE 3.17Å; E262-R451 IonicContact OE2-NH1 3.58Å; E262-R451 PolarHBondContact OE2-NH1 3.07Å; E262-R451 IonicContact OE2-NH2 2.89Å; I270-R451 PolarHBondContact O-NH2 3.17Å; F279-R451 HydrophobicContact CB-CG 4.41Å; F279-R451 HydrophobicContact CD1-CB 4.5Å; I280-R451 CarbonylContact O-C 3.54Å; I280-R451 WeakPolarHBondContact O-CA 3.41Å; M281-R451 HydrophobicContact CG-CG 3.73Å; L449-R451 HydrophobicContact CD1-CB 4.46Å; L449-R451 HydrophobicContact CD1-CG 3.51Å
452	I	90.8	Very high	86.6	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	144.1	173.1	-52	-171.9	0	0	0	108	F238 L255 F279 I280 F282 F457	F238-I452 HydrophobicContact CE1-CD1 4.36Å; F238-I452 HydrophobicContact CZ-CD1 3.9Å; L255-I452 HydrophobicContact CD1-CD1 3.64Å; L255-I452 HydrophobicContact CD2-CD1 4.11Å; L255-I452 HydrophobicContact CG-CD1 3.7Å; F279-I452 CarbonylContact C-O 3.57Å; F279-I452 WeakPolarHBondContact CA-O 3.23Å; I280-I452 PolarHBondContact N-O 3.25Å; I280-I452 PolarHBondContact O-N 3.24Å; F282-I452 HydrophobicContact CD2-CD1 4.15Å; F282-I452 HydrophobicContact CD2-CG1 4.29Å; F282-I452 HydrophobicContact CE2-CB 4.44Å; F282-I452 HydrophobicContact CE2-CD1 3.55Å; F282-I452 HydrophobicContact CE2-CG1 3.93Å; F282-I452 HydrophobicContact CZ-CD1 4.29Å; I452-F457 HydrophobicContact CG2-CB 4.15Å; I452-F457 HydrophobicContact CG2-CD2 4.4Å
453	R	87.7	Confident	85.5	Confident	127 Å²	127	48.2 Å²	48.2	48%	0.479	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	137.8	174.8	-63	-174.7	-159.7	-175	7.1	110.6	S278 F279 E455 I456 F457	S278-R453 WeakPolarHBondContact O-CA 3.41Å; F279-R453 HydrophobicContact CD1-CG 3.88Å; F279-R453 HydrophobicContact CE1-CG 3.56Å; F279-R453 HydrophobicContact CZ-CG 4.49Å; R453-E455 PolarHBondContact O-N 2.92Å; R453-I456 HydrophobicContact CB-CB 4.45Å; R453-I456 HydrophobicContact CB-CD1 4.02Å; R453-I456 HydrophobicContact CB-CG1 4.17Å; R453-I456 HydrophobicContact CG-CD1 4.31Å; R453-I456 PolarHBondContact O-N 2.93Å; R453-F457 WeakPolarHBondContact O-CB 3.4Å; R453-F457 PolarHBondContact O-N 3.44Å
454	K	86.8	Confident	84.7	Confident	33 Å²	33	47.5 Å²	47.5	14%	0.143	23%	0.233	C	C	.	.	H	α-helix	trans	-55.9	-49.7	178.9	-78.4	178.7	175.3	173.6	0	112	G275 S277 S278 I280 G424 I456 F457 Y458	G275-K454 PolarHBondContact O-NZ 2.83Å; S277-K454 WeakPolarHBondContact O-CD 3.46Å; S277-K454 WeakPolarHBondContact O-CE 3.32Å; S277-K454 PolarHBondContact O-NZ 2.96Å; S278-K454 PolarHBondContact O-N 2.6Å; I280-K454 HydrophobicContact CD1-CG 4.07Å; I280-K454 HydrophobicContact CG1-CG 3.63Å; G424-K454 WeakPolarHBondContact O-CE 3.47Å; G424-K454 PolarHBondContact O-NZ 2.98Å; K454-I456 PolarHBondContact O-N 3.43Å; K454-F457 PolarHBondContact O-N 3.46Å; K454-F457 VanDerWaalsContact O-N 3.13Å; K454-Y458 HydrophobicContact CB-CD2 4.47Å; K454-Y458 HydrophobicContact CB-CE2 3.9Å; K454-Y458 VanDerWaalsContact O-CD2 3.31Å; K454-Y458 WeakPolarHBondContact O-CD2 3.41Å; K454-Y458 VanDerWaalsContact O-CG 3.28Å; K454-Y458 PolarHBondContact O-N 3.25Å
455	E	83.9	Confident	83.8	Confident	128 Å²	128	53.1 Å²	53.1	60%	0.598	26%	0.263	S	S	*	.	H	α-helix	trans	-50.2	-54.9	179.1	-64.4	159.8	-171.8	0	0	111.7	R453 F457 Y458 E459	R453-E455 PolarHBondContact O-N 2.92Å; E455-F457 VanDerWaalsContact C-N 3.33Å; E455-F457 PolarHBondContact O-N 3.37Å; E455-Y458 PolarHBondContact O-N 3.31Å; E455-E459 WeakPolarHBondContact O-CG 3.27Å; E455-E459 PolarHBondContact O-N 3.12Å; E455-E459 VanDerWaalsContact O-N 3.08Å
456	I	82.3	Confident	83.2	Confident	28 Å²	28	56.6 Å²	56.6	14%	0.144	28%	0.278	C	S	.	.	H	α-helix	trans	-65.8	-37.8	-178.4	-58.3	173.9	0	0	0	111.2	M258 R453 K454 L460	M258-I456 HydrophobicContact CB-CG2 4.16Å; M258-I456 HydrophobicContact CE-CD1 4.03Å; M258-I456 HydrophobicContact CE-CG2 4Å; M258-I456 HydrophobicContact CG-CG2 3.98Å; M258-I456 HydrophobicContact SD-CD1 4.37Å; R453-I456 HydrophobicContact CB-CB 4.45Å; R453-I456 HydrophobicContact CB-CD1 4.02Å; R453-I456 HydrophobicContact CB-CG1 4.17Å; R453-I456 HydrophobicContact CG-CD1 4.31Å; R453-I456 PolarHBondContact O-N 2.93Å; K454-I456 PolarHBondContact O-N 3.43Å; I456-L460 WeakPolarHBondContact O-CG 3.33Å; I456-L460 PolarHBondContact O-N 3.18Å
457	F	85.9	Confident	82.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-66.6	-41.2	179	-173.1	-108.5	0	0	0	111.5	F244 L255 I280 F282 L425 I452 R453 K454 E455 L460 I461 M467	F244-F457 AromaticContact CE1-CE2 3.95Å; F244-F457 HydrophobicContact CE1-CE2 3.95Å; F244-F457 HydrophobicContact CE1-CZ 4.29Å; F244-F457 AromaticContact CZ-CE2 3.91Å; F244-F457 HydrophobicContact CZ-CE2 3.91Å; F244-F457 HydrophobicContact CZ-CZ 4.19Å; L255-F457 HydrophobicContact CD1-CD2 3.69Å; L255-F457 HydrophobicContact CD1-CE2 3.91Å; I280-F457 HydrophobicContact CD1-CB 3.6Å; I280-F457 HydrophobicContact CD1-CD1 3.08Å; I280-F457 HydrophobicContact CD1-CD2 4.36Å; I280-F457 HydrophobicContact CD1-CE1 3.69Å; I280-F457 HydrophobicContact CD1-CG 3.45Å; I280-F457 VanDerWaalsContact CD1-CG 3.45Å; F282-F457 AromaticContact CZ-CE2 3.96Å; F282-F457 HydrophobicContact CZ-CE2 3.96Å; F282-F457 HydrophobicContact CZ-CZ 4.09Å; L425-F457 HydrophobicContact CD1-CE1 3.83Å; L425-F457 HydrophobicContact CD1-CZ 4.37Å; L425-F457 HydrophobicContact CD2-CD1 4.38Å; L425-F457 HydrophobicContact CD2-CE1 4.14Å; I452-F457 HydrophobicContact CG2-CB 4.15Å; I452-F457 HydrophobicContact CG2-CD2 4.4Å; R453-F457 WeakPolarHBondContact O-CB 3.4Å; R453-F457 PolarHBondContact O-N 3.44Å; K454-F457 PolarHBondContact O-N 3.46Å; K454-F457 VanDerWaalsContact O-N 3.13Å; E455-F457 VanDerWaalsContact C-N 3.33Å; E455-F457 PolarHBondContact O-N 3.37Å; F457-L460 PolarHBondContact O-N 2.92Å; F457-I461 HydrophobicContact CD1-CD1 3.28Å; F457-I461 HydrophobicContact CD1-CG1 4.43Å; F457-I461 HydrophobicContact CD2-CD1 4.25Å; F457-I461 HydrophobicContact CE1-CD1 3.02Å; F457-I461 HydrophobicContact CE1-CG1 4.38Å; F457-I461 HydrophobicContact CE2-CD1 4.01Å; F457-I461 HydrophobicContact CG-CD1 3.94Å; F457-I461 HydrophobicContact CZ-CD1 3.43Å; F457-I461 VanDerWaalsContact CZ-CD1 3.43Å; F457-I461 WeakPolarHBondContact O-CG1 3.43Å; F457-I461 PolarHBondContact O-N 3.5Å; F457-M467 HydrophobicContact CE1-CE 4.36Å; F457-M467 HydrophobicContact CE2-CE 4.26Å; F457-M467 HydrophobicContact CZ-CE 3.63Å
458	Y	83.1	Confident	82.2	Confident	61 Å²	61	56.9 Å²	56.9	24%	0.239	27%	0.271	C	S	.	.	H	α-helix	trans	-66.8	-41.7	177	-59.7	-31.5	0	0	0	112	I280 L425 A428 F429 K454 E455 L460 I461 D462	I280-Y458 HydrophobicContact CD1-CE1 4.5Å; L425-Y458 HydrophobicContact CD2-CE1 3.9Å; A428-Y458 HydrophobicContact CB-CE1 4.32Å; A428-Y458 WeakPolarHBondContact CB-OH 3.46Å; F429-Y458 HydrophobicContact CZ-CE1 4.29Å; K454-Y458 HydrophobicContact CB-CD2 4.47Å; K454-Y458 HydrophobicContact CB-CE2 3.9Å; K454-Y458 VanDerWaalsContact O-CD2 3.31Å; K454-Y458 WeakPolarHBondContact O-CD2 3.41Å; K454-Y458 VanDerWaalsContact O-CG 3.28Å; K454-Y458 PolarHBondContact O-N 3.25Å; E455-Y458 PolarHBondContact O-N 3.31Å; Y458-L460 PolarHBondContact O-N 2.72Å; Y458-L460 VanDerWaalsContact O-N 3.13Å; Y458-I461 CarbonylContact O-C 3.52Å; Y458-I461 WeakPolarHBondContact O-CA 3.24Å; Y458-I461 PolarHBondContact O-N 2.96Å; Y458-D462 PolarHBondContact O-N 3.1Å
459	E	84.1	Confident	81.5	Confident	135 Å²	135	61.8 Å²	61.8	63%	0.631	29%	0.292	S	S	*	.	H	α-helix	trans	-55.1	-34.1	173.9	-72.7	174.8	179.9	0	0	113	E455	E455-E459 WeakPolarHBondContact O-CG 3.27Å; E455-E459 PolarHBondContact O-N 3.12Å; E455-E459 VanDerWaalsContact O-N 3.08Å
460	L	81.5	Confident	80.9	Confident	30 Å²	30	64.3 Å²	64.3	16%	0.157	30%	0.303	C	S	.	.	H	α-helix	trans	-76.5	-24.3	176.1	-68.1	171.8	0	0	0	113.1	W247 L255 I456 F457 Y458	W247-L460 HydrophobicContact CH2-CB 3.86Å; W247-L460 HydrophobicContact CZ3-CB 4.45Å; L255-L460 HydrophobicContact CB-CD1 4.48Å; L255-L460 HydrophobicContact CD1-CD1 4Å; I456-L460 WeakPolarHBondContact O-CG 3.33Å; I456-L460 PolarHBondContact O-N 3.18Å; F457-L460 PolarHBondContact O-N 2.92Å; Y458-L460 PolarHBondContact O-N 2.72Å; Y458-L460 VanDerWaalsContact O-N 3.13Å
461	I	78.7	Confident	80.2	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-95.5	-24.6	-174.1	-68.5	176.3	0	0	0	113.2	W247 F457 Y458 N463 D464 M467 I468 L471	W247-I461 HydrophobicContact CH2-CG1 4.38Å; W247-I461 HydrophobicContact CZ2-CG1 3.97Å; F457-I461 HydrophobicContact CD1-CD1 3.28Å; F457-I461 HydrophobicContact CD1-CG1 4.43Å; F457-I461 HydrophobicContact CD2-CD1 4.25Å; F457-I461 HydrophobicContact CE1-CD1 3.02Å; F457-I461 HydrophobicContact CE1-CG1 4.38Å; F457-I461 HydrophobicContact CE2-CD1 4.01Å; F457-I461 HydrophobicContact CG-CD1 3.94Å; F457-I461 HydrophobicContact CZ-CD1 3.43Å; F457-I461 VanDerWaalsContact CZ-CD1 3.43Å; F457-I461 WeakPolarHBondContact O-CG1 3.43Å; F457-I461 PolarHBondContact O-N 3.5Å; Y458-I461 CarbonylContact O-C 3.52Å; Y458-I461 WeakPolarHBondContact O-CA 3.24Å; Y458-I461 PolarHBondContact O-N 2.96Å; I461-N463 PolarHBondContact O-N 2.58Å; I461-D464 PolarHBondContact O-N 3.47Å; I461-M467 HydrophobicContact CB-SD 4.4Å; I461-M467 HydrophobicContact CD1-CE 3.65Å; I461-M467 HydrophobicContact CD1-SD 3.52Å; I461-M467 VanDerWaalsContact CD1-SD 3.52Å; I461-M467 HydrophobicContact CG1-CE 4.14Å; I461-M467 HydrophobicContact CG1-SD 3.48Å; I461-M467 WeakPolarHBondContact CG1-SD 3.46Å; I461-M467 HydrophobicContact CG2-SD 4.14Å; I461-I468 HydrophobicContact CG2-CD1 4.19Å; I461-I468 HydrophobicContact CG2-CG1 3.7Å; I461-L471 HydrophobicContact CD1-CD1 4.23Å
462	D	68.1	Low	79.3	Confident	111 Å²	111	67 Å²	67	59%	0.594	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-13.7	-171.4	-74.4	-21.7	0	0	0	114.5	Y458	Y458-D462 PolarHBondContact O-N 3.1Å
463	N	66.9	Low	78.5	Confident	136 Å²	136	75.6 Å²	75.6	73%	0.727	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-0.4	176.9	-59.1	-63.4	0	0	0	115.2	I461	I461-N463 PolarHBondContact O-N 2.58Å
464	D	73.8	Confident	77.6	Confident	42 Å²	42	74.5 Å²	74.5	23%	0.225	36%	0.361	C	S	.	.			trans	-122.4	72.1	-168.6	-70.8	-40.5	0	0	0	112.8	K251 I461 E466 M467 I468	K251-D464 IonicContact NZ-OD1 3.18Å; K251-D464 IonicContact NZ-OD2 3.75Å; K251-D464 PolarHBondContact NZ-OD2 3.46Å; I461-D464 PolarHBondContact O-N 3.47Å; D464-E466 PolarHBondContact O-N 3.14Å; D464-E466 VanDerWaalsContact O-N 3.1Å; D464-M467 HydrophobicContact CB-CB 4.21Å; D464-M467 WeakPolarHBondContact O-CB 3.39Å; D464-M467 PolarHBondContact O-N 3.3Å; D464-I468 PolarHBondContact O-N 3.24Å
465	D	74	Confident	76.7	Confident	118 Å²	118	75.5 Å²	75.5	63%	0.631	37%	0.368	S	S	*	.	H	α-helix	trans	-52.6	-32.1	178.8	-78.1	-21.7	0	0	0	114.6	M467 I468 K469	D465-M467 VanDerWaalsContact C-N 3.31Å; D465-M467 PolarHBondContact O-N 2.74Å; D465-I468 PolarHBondContact O-N 3.48Å; D465-K469 WeakPolarHBondContact O-CG 3.5Å; D465-K469 PolarHBondContact O-N 3.18Å
466	E	78	Confident	75.9	Confident	117 Å²	117	72.3 Å²	72.3	55%	0.547	35%	0.354	S	S	.	.	H	α-helix	trans	-65.7	-37	178.1	-162.6	-166	146.4	0	0	111.5	D464 K469 K470	D464-E466 PolarHBondContact O-N 3.14Å; D464-E466 VanDerWaalsContact O-N 3.1Å; E466-K469 PolarHBondContact O-N 3.07Å; E466-K470 WeakPolarHBondContact O-CG 3.46Å; E466-K470 PolarHBondContact O-N 2.8Å; E466-K470 VanDerWaalsContact O-N 3.12Å; E466-K470 WeakPolarHBondContact OE1-CE 3.47Å; E466-K470 IonicContact OE1-NZ 3.51Å; E466-K470 PolarHBondContact OE1-NZ 2.87Å
467	M	78.3	Confident	75.1	Confident	2 Å²	2	75.6 Å²	75.6	1%	0.01	39%	0.385	C	S	.	.	H	α-helix	trans	-69.9	-42.3	178.2	-170.3	-162.3	-177.6	0	0	110.9	F244 W247 F457 I461 D464 D465 K469 K470 L471	F244-M467 HydrophobicContact CD1-CE 4.02Å; F244-M467 HydrophobicContact CE1-CE 3.43Å; F244-M467 VanDerWaalsContact CE1-CE 3.43Å; F244-M467 HydrophobicContact CZ-CE 4.12Å; W247-M467 HydrophobicContact CZ2-CE 4.02Å; W247-M467 HydrophobicContact CZ2-SD 3.62Å; F457-M467 HydrophobicContact CE1-CE 4.36Å; F457-M467 HydrophobicContact CE2-CE 4.26Å; F457-M467 HydrophobicContact CZ-CE 3.63Å; I461-M467 HydrophobicContact CB-SD 4.4Å; I461-M467 HydrophobicContact CD1-CE 3.65Å; I461-M467 HydrophobicContact CD1-SD 3.52Å; I461-M467 VanDerWaalsContact CD1-SD 3.52Å; I461-M467 HydrophobicContact CG1-CE 4.14Å; I461-M467 HydrophobicContact CG1-SD 3.48Å; I461-M467 WeakPolarHBondContact CG1-SD 3.46Å; I461-M467 HydrophobicContact CG2-SD 4.14Å; D464-M467 HydrophobicContact CB-CB 4.21Å; D464-M467 WeakPolarHBondContact O-CB 3.39Å; D464-M467 PolarHBondContact O-N 3.3Å; D465-M467 VanDerWaalsContact C-N 3.31Å; D465-M467 PolarHBondContact O-N 2.74Å; M467-K469 PolarHBondContact O-N 2.92Å; M467-K470 CarbonylContact O-C 3.57Å; M467-K470 WeakPolarHBondContact O-CA 3.41Å; M467-K470 WeakPolarHBondContact O-CB 3.46Å; M467-K470 PolarHBondContact O-N 3.41Å; M467-L471 HydrophobicContact CE-CD1 4.21Å; M467-L471 HydrophobicContact CG-CD1 4.35Å; M467-L471 HydrophobicContact CG-CG 4.42Å; M467-L471 WeakPolarHBondContact O-CG 3.37Å; M467-L471 PolarHBondContact O-N 3.24Å; M467-L471 HydrophobicContact SD-CD1 4.47Å
468	I	76	Confident	74.6	Confident	42 Å²	42	77.3 Å²	77.3	22%	0.215	39%	0.393	C	S	.	.	H	α-helix	trans	-57	-42.9	176.4	-60.4	174.4	0	0	0	109.9	F429 I461 D464 D465 K470 L471 L472	F429-I468 HydrophobicContact CD1-CG2 4.17Å; F429-I468 HydrophobicContact CE1-CG2 4.21Å; I461-I468 HydrophobicContact CG2-CD1 4.19Å; I461-I468 HydrophobicContact CG2-CG1 3.7Å; D464-I468 PolarHBondContact O-N 3.24Å; D465-I468 PolarHBondContact O-N 3.48Å; I468-K470 PolarHBondContact O-N 2.89Å; I468-L471 PolarHBondContact O-N 2.77Å; I468-L472 HydrophobicContact CG2-CD1 4.36Å; I468-L472 WeakPolarHBondContact O-CG 3.46Å; I468-L472 PolarHBondContact O-N 3.46Å
469	K	77.1	Confident	74.4	Confident	137 Å²	137	76.3 Å²	76.3	60%	0.596	39%	0.394	S	S	*	.	H	α-helix	trans	-62.1	-38.5	173.9	-71	174.3	-174.8	171.3	0	113.1	D465 E466 M467 K473	D465-K469 WeakPolarHBondContact O-CG 3.5Å; D465-K469 PolarHBondContact O-N 3.18Å; E466-K469 PolarHBondContact O-N 3.07Å; M467-K469 PolarHBondContact O-N 2.92Å; K469-K473 WeakPolarHBondContact O-CG 3.08Å; K469-K473 PolarHBondContact O-N 3.37Å
470	K	79	Confident	74.3	Confident	56 Å²	56	72 Å²	72	24%	0.243	38%	0.378	C	S	.	.	H	α-helix	trans	-67.8	-39.7	174.9	-68.2	175.9	-176.7	174.9	0	111.5	L243 E466 M467 I468 K473 L474	L243-K470 HydrophobicContact CD2-CB 3.65Å; E466-K470 WeakPolarHBondContact O-CG 3.46Å; E466-K470 PolarHBondContact O-N 2.8Å; E466-K470 VanDerWaalsContact O-N 3.12Å; E466-K470 WeakPolarHBondContact OE1-CE 3.47Å; E466-K470 IonicContact OE1-NZ 3.51Å; E466-K470 PolarHBondContact OE1-NZ 2.87Å; M467-K470 CarbonylContact O-C 3.57Å; M467-K470 WeakPolarHBondContact O-CA 3.41Å; M467-K470 WeakPolarHBondContact O-CB 3.46Å; M467-K470 PolarHBondContact O-N 3.41Å; I468-K470 PolarHBondContact O-N 2.89Å; K470-K473 PolarHBondContact O-N 3.23Å; K470-L474 WeakPolarHBondContact O-CG 3.41Å; K470-L474 PolarHBondContact O-N 2.93Å
471	L	77.1	Confident	74.3	Confident	12 Å²	12	73 Å²	73	6%	0.063	38%	0.384	C	S	.	.	H	α-helix	trans	-64.4	-41.5	176.6	-70.6	175.5	0	0	0	112.1	L243 L425 F429 I461 M467 I468 K473 L474 N475	L243-L471 HydrophobicContact CD1-CD2 4.1Å; L243-L471 HydrophobicContact CD2-CD2 3.95Å; L243-L471 HydrophobicContact CD2-CG 4.4Å; L425-L471 HydrophobicContact CD1-CD1 4.3Å; L425-L471 HydrophobicContact CD1-CD2 3.67Å; F429-L471 HydrophobicContact CD2-CB 4.48Å; F429-L471 HydrophobicContact CE2-CB 4.01Å; F429-L471 HydrophobicContact CE2-CD1 3.75Å; F429-L471 HydrophobicContact CZ-CD1 3.84Å; I461-L471 HydrophobicContact CD1-CD1 4.23Å; M467-L471 HydrophobicContact CE-CD1 4.21Å; M467-L471 HydrophobicContact CG-CD1 4.35Å; M467-L471 HydrophobicContact CG-CG 4.42Å; M467-L471 WeakPolarHBondContact O-CG 3.37Å; M467-L471 PolarHBondContact O-N 3.24Å; M467-L471 HydrophobicContact SD-CD1 4.47Å; I468-L471 PolarHBondContact O-N 2.77Å; L471-K473 VanDerWaalsContact C-N 3.27Å; L471-K473 PolarHBondContact O-N 3.15Å; L471-L474 PolarHBondContact O-N 3.03Å; L471-L474 VanDerWaalsContact O-N 3.14Å; L471-N475 PolarHBondContact O-N 3.39Å
472	L	72.9	Confident	74.5	Confident	87 Å²	87	75.1 Å²	75.1	46%	0.455	39%	0.394	S	S	.	.	H	α-helix	trans	-60.6	-35.6	174.6	-74.5	170.7	0	0	0	112.5	F429 I468 L474 N475	F429-L472 HydrophobicContact CB-CD2 3.62Å; F429-L472 HydrophobicContact CB-CG 4.46Å; F429-L472 HydrophobicContact CG-CD2 4.44Å; I468-L472 HydrophobicContact CG2-CD1 4.36Å; I468-L472 WeakPolarHBondContact O-CG 3.46Å; I468-L472 PolarHBondContact O-N 3.46Å; L472-L474 VanDerWaalsContact C-N 3.34Å; L472-N475 WeakPolarHBondContact O-CB 3.27Å; L472-N475 PolarHBondContact O-N 3.46Å
473	K	72.6	Confident	75.2	Confident	184 Å²	184	73.4 Å²	73.4	80%	0.8	39%	0.385	S	S	*	.	H	α-helix	trans	-70.5	-28.4	176.1	-71.8	176.2	-179	-178.7	0	113.5	K469 K470 L471 N475	K469-K473 WeakPolarHBondContact O-CG 3.08Å; K469-K473 PolarHBondContact O-N 3.37Å; K470-K473 PolarHBondContact O-N 3.23Å; L471-K473 VanDerWaalsContact C-N 3.27Å; L471-K473 PolarHBondContact O-N 3.15Å; K473-N475 VanDerWaalsContact C-N 3.26Å
474	L	69.8	Low	75.9	Confident	104 Å²	104	67.6 Å²	67.6	55%	0.545	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	0.7	179	-68.2	177.1	0	0	0	113	L243 K470 L471 L472 I476	L243-L474 HydrophobicContact CD1-CD1 3.59Å; L243-L474 HydrophobicContact CD2-CD1 3.64Å; L243-L474 HydrophobicContact CG-CD1 3.82Å; K470-L474 WeakPolarHBondContact O-CG 3.41Å; K470-L474 PolarHBondContact O-N 2.93Å; L471-L474 PolarHBondContact O-N 3.03Å; L471-L474 VanDerWaalsContact O-N 3.14Å; L472-L474 VanDerWaalsContact C-N 3.34Å; L474-I476 PolarHBondContact O-N 2.88Å
475	N	67.7	Low	76.4	Confident	54 Å²	54	65.6 Å²	65.6	29%	0.289	34%	0.343	S	S	.	.			trans	-68.5	118.5	-176.5	-159.2	3	0	0	0	110.9	H426 L471 L472 K473 A477	H426-N475 WeakPolarHBondContact CA-OD1 3.45Å; H426-N475 PolarHBondContact O-ND2 2.87Å; H426-N475 PolarHBondContact O-OD1 3.15Å; L471-N475 PolarHBondContact O-N 3.39Å; L472-N475 WeakPolarHBondContact O-CB 3.27Å; L472-N475 PolarHBondContact O-N 3.46Å; K473-N475 VanDerWaalsContact C-N 3.26Å; N475-A477 PolarHBondContact O-N 3.29Å
476	I	67.5	Low	76.8	Confident	61 Å²	61	63.7 Å²	63.7	31%	0.313	33%	0.33	S	S	.	.			trans	-83.8	111.3	179.5	-57.7	175.2	0	0	0	107.8	L474 F478	L474-I476 PolarHBondContact O-N 2.88Å; I476-F478 HydrophobicContact CG2-CD1 4.37Å; I476-F478 HydrophobicContact CG2-CE1 4.19Å; I476-F478 PolarHBondContact O-N 2.83Å
477	A	66.3	Low	77.1	Confident	97 Å²	97	64.2 Å²	64.2	80%	0.802	33%	0.33	S	S	*	.			trans	-71.7	110.8	170.9	0	0	0	0	0	109.5	N475	N475-A477 PolarHBondContact O-N 3.29Å
478	F	74.3	Confident	77.3	Confident	35 Å²	35	65.9 Å²	65.9	15%	0.154	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-73.7	140.6	175.3	-66	-62.2	0	0	0	110.9	F274 V290 V414 H415 H426 L440 I476	F274-F478 HydrophobicContact CZ-CZ 4.34Å; V290-F478 HydrophobicContact CG1-CE1 4.26Å; V290-F478 HydrophobicContact CG1-CZ 4.45Å; V414-F478 HydrophobicContact CB-CD1 4.42Å; V414-F478 HydrophobicContact CG1-CB 4.05Å; V414-F478 HydrophobicContact CG1-CD1 3.44Å; V414-F478 VanDerWaalsContact CG1-CD1 3.44Å; V414-F478 HydrophobicContact CG1-CE1 4.24Å; V414-F478 HydrophobicContact CG1-CG 4.07Å; H415-F478 HydrophobicContact CB-CE1 3.94Å; H426-F478 HydrophobicContact CB-CE2 4.3Å; H426-F478 AromaticContact CD2-CE2 3.73Å; L440-F478 HydrophobicContact CD1-CD2 3.74Å; L440-F478 HydrophobicContact CD1-CE2 3.49Å; L440-F478 VanDerWaalsContact CD1-CE2 3.49Å; L440-F478 HydrophobicContact CD1-CZ 4.18Å; I476-F478 HydrophobicContact CG2-CD1 4.37Å; I476-F478 HydrophobicContact CG2-CE1 4.19Å; I476-F478 PolarHBondContact O-N 2.83Å
479	P	79.9	Confident	77.5	Confident	40 Å²	40	64.6 Å²	64.6	26%	0.26	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-60.4	158.6	179	25.3	-35.1	0	0	0	112.4	R292 V414 M484	R292-P479 PolarHBondContact NH1-O 2.87Å; R292-P479 VanDerWaalsContact NH1-O 3.17Å; V414-P479 HydrophobicContact CG1-CG 3.89Å; P479-M484 HydrophobicContact CB-CG 4.1Å; P479-M484 HydrophobicContact CG-CE 4.27Å; P479-M484 HydrophobicContact CG-CG 3.8Å; P479-M484 HydrophobicContact CG-SD 3.94Å; P479-M484 VanDerWaalsContact O-CE 3.29Å; P479-M484 WeakPolarHBondContact O-CE 3.16Å
480	S	81.4	Confident	77.8	Confident	44 Å²	44	64.3 Å²	64.3	31%	0.308	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-73.9	157.8	174.6	80.5	0	0	0	0	111.5	E482 D483 M484	S480-E482 PolarHBondContact O-N 3.19Å; S480-D483 WeakPolarHBondContact CB-OD2 3.2Å; S480-D483 PolarHBondContact O-N 3.42Å; S480-D483 PolarHBondContact OG-N 3.15Å; S480-D483 PolarHBondContact OG-OD2 3.08Å; S480-M484 WeakPolarHBondContact O-CE 3.12Å; S480-M484 PolarHBondContact O-N 3.21Å
481	D	81.8	Confident	77.9	Confident	52 Å²	52	67.5 Å²	67.5	28%	0.278	35%	0.348	S	S	.	.	H	α-helix	trans	-65.7	-29.1	-179.2	-60.4	-17.6	0	0	0	111.7	R292 L294 R438 M484 C485	R292-D481 WeakPolarHBondContact CD-OD1 3.12Å; R292-D481 IonicContact CZ-OD1 3.54Å; R292-D481 IonicContact NH1-OD1 2.75Å; R292-D481 PolarHBondContact NH1-OD1 3.22Å; L294-D481 HydrophobicContact CD2-CB 3.72Å; L294-D481 WeakPolarHBondContact CD2-OD1 3.43Å; R438-D481 VanDerWaalsContact CD-OD2 3.31Å; R438-D481 WeakPolarHBondContact CD-OD2 3.43Å; R438-D481 IonicContact CZ-OD1 2.83Å; R438-D481 IonicContact CZ-OD2 3.44Å; R438-D481 IonicContact NE-OD2 3.44Å; R438-D481 IonicContact NH1-OD1 3.4Å; R438-D481 PolarHBondContact NH1-OD1 2.6Å; R438-D481 IonicContact NH1-OD2 2.7Å; R438-D481 PolarHBondContact NH1-OD2 3.41Å; D481-M484 WeakPolarHBondContact OD1-CE 3.43Å; D481-C485 WeakPolarHBondContact O-CB 3.33Å; D481-C485 PolarHBondContact O-N 3.33Å
482	E	81.8	Confident	78.1	Confident	47 Å²	47	67.1 Å²	67.1	22%	0.22	35%	0.346	C	S	.	.	H	α-helix	trans	-71.3	-44.1	175.3	-172.8	63.4	-172.2	0	0	111.6	S299 P300 S301 S480 M484 C485 Q486	S299-E482 WeakPolarHBondContact CB-OE2 3.46Å; S299-E482 PolarHBondContact OG-OE2 3.27Å; P300-E482 WeakPolarHBondContact CD-OE2 3.26Å; S301-E482 WeakPolarHBondContact CB-OE1 3.04Å; S301-E482 PolarHBondContact N-OE1 3.42Å; S301-E482 VanDerWaalsContact N-OE1 3.11Å; S301-E482 PolarHBondContact OG-OE1 2.78Å; S480-E482 PolarHBondContact O-N 3.19Å; E482-M484 VanDerWaalsContact C-N 3.32Å; E482-M484 PolarHBondContact O-N 3.35Å; E482-C485 PolarHBondContact O-N 3.22Å; E482-Q486 WeakPolarHBondContact O-CG 3.41Å; E482-Q486 PolarHBondContact O-N 2.68Å
483	D	83.1	Confident	78.1	Confident	75 Å²	75	65.7 Å²	65.7	40%	0.401	34%	0.343	S	S	.	.	H	α-helix	trans	-62.7	-42.1	176.6	-61.2	-41.2	0	0	0	111.1	S480 Q486 K487	S480-D483 WeakPolarHBondContact CB-OD2 3.2Å; S480-D483 PolarHBondContact O-N 3.42Å; S480-D483 PolarHBondContact OG-N 3.15Å; S480-D483 PolarHBondContact OG-OD2 3.08Å; D483-Q486 PolarHBondContact O-N 3.37Å; D483-K487 WeakPolarHBondContact O-CG 3.43Å; D483-K487 PolarHBondContact O-N 3.44Å; D483-K487 VanDerWaalsContact O-N 3.07Å
484	M	82.8	Confident	78.2	Confident	13 Å²	13	64.2 Å²	64.2	6%	0.064	33%	0.333	C	S	.	.	H	α-helix	trans	-64.2	-43.5	174.7	-76.2	-173.8	-80.8	0	0	111.7	R292 L294 M412 V414 P479 S480 D481 E482 Q486 K487 F488	R292-M484 VanDerWaalsContact NH1-CE 3.34Å; L294-M484 HydrophobicContact CD1-CB 3.54Å; L294-M484 HydrophobicContact CD1-CE 4.27Å; L294-M484 HydrophobicContact CD1-SD 4.26Å; L294-M484 HydrophobicContact CD2-CE 4.16Å; M412-M484 HydrophobicContact SD-CB 4Å; V414-M484 HydrophobicContact CG1-SD 4.29Å; V414-M484 HydrophobicContact CG2-SD 3.92Å; P479-M484 HydrophobicContact CB-CG 4.1Å; P479-M484 HydrophobicContact CG-CE 4.27Å; P479-M484 HydrophobicContact CG-CG 3.8Å; P479-M484 HydrophobicContact CG-SD 3.94Å; P479-M484 VanDerWaalsContact O-CE 3.29Å; P479-M484 WeakPolarHBondContact O-CE 3.16Å; S480-M484 WeakPolarHBondContact O-CE 3.12Å; S480-M484 PolarHBondContact O-N 3.21Å; D481-M484 WeakPolarHBondContact OD1-CE 3.43Å; E482-M484 VanDerWaalsContact C-N 3.32Å; E482-M484 PolarHBondContact O-N 3.35Å; M484-Q486 VanDerWaalsContact C-N 3.35Å; M484-Q486 PolarHBondContact O-N 3.08Å; M484-K487 PolarHBondContact O-N 3.02Å; M484-F488 WeakPolarHBondContact O-CB 3.47Å; M484-F488 PolarHBondContact O-N 3.42Å
485	C	83.3	Confident	78.5	Confident	1 Å²	1	62 Å²	62	1%	0.007	32%	0.322	C	S	.	.	H	α-helix	trans	-61.3	-42.7	176.6	-175.1	0	0	0	0	111.9	L296 S299 D481 E482 F488 L489	L296-C485 HydrophobicContact CD2-CB 4.46Å; S299-C485 PolarHBondContact OG-SG 2.81Å; S299-C485 VanDerWaalsContact OG-SG 3.33Å; D481-C485 WeakPolarHBondContact O-CB 3.33Å; D481-C485 PolarHBondContact O-N 3.33Å; E482-C485 PolarHBondContact O-N 3.22Å; C485-F488 PolarHBondContact O-N 2.89Å; C485-L489 WeakPolarHBondContact O-CB 3.3Å; C485-L489 VanDerWaalsContact O-CG 3.26Å; C485-L489 WeakPolarHBondContact O-CG 3.26Å; C485-L489 PolarHBondContact O-N 3.4Å
486	Q	82.9	Confident	78.7	Confident	78 Å²	78	59.7 Å²	59.7	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-62.5	-47.2	177.3	-74.3	-178.7	4.3	0	0	112	S301 E482 D483 M484 F488 L489 Q490	S301-Q486 PolarHBondContact OG-NE2 2.82Å; E482-Q486 WeakPolarHBondContact O-CG 3.41Å; E482-Q486 PolarHBondContact O-N 2.68Å; D483-Q486 PolarHBondContact O-N 3.37Å; M484-Q486 VanDerWaalsContact C-N 3.35Å; M484-Q486 PolarHBondContact O-N 3.08Å; Q486-F488 VanDerWaalsContact C-N 3.34Å; Q486-F488 PolarHBondContact O-N 2.96Å; Q486-L489 PolarHBondContact O-N 3.34Å; Q486-Q490 WeakPolarHBondContact O-CG 3.24Å; Q486-Q490 PolarHBondContact O-N 3.42Å
487	K	83.4	Confident	78.9	Confident	127 Å²	127	62 Å²	62	55%	0.552	32%	0.317	S	S	*	.	H	α-helix	trans	-59	-46.1	175.5	-73.2	177.6	-179.1	178.5	0	111.4	D483 M484 L489 Q490 E491	D483-K487 WeakPolarHBondContact O-CG 3.43Å; D483-K487 PolarHBondContact O-N 3.44Å; D483-K487 VanDerWaalsContact O-N 3.07Å; M484-K487 PolarHBondContact O-N 3.02Å; K487-L489 PolarHBondContact O-N 2.92Å; K487-Q490 WeakPolarHBondContact O-CB 3.32Å; K487-Q490 PolarHBondContact O-N 2.95Å; K487-E491 PolarHBondContact O-N 3.23Å
488	F	82.8	Confident	79.2	Confident	38 Å²	38	64.2 Å²	64.2	17%	0.167	31%	0.305	C	S	.	.	H	α-helix	trans	-59.9	-44.2	176.8	171.4	-98.2	0	0	0	112.4	L296 M412 M484 C485 Q486 Q490 E491 N492 I564	L296-F488 HydrophobicContact CD1-CE1 4.01Å; L296-F488 HydrophobicContact CD2-CD1 4.45Å; M412-F488 HydrophobicContact CE-CB 3.34Å; M412-F488 HydrophobicContact CE-CD1 3.74Å; M412-F488 HydrophobicContact CE-CD2 3.8Å; M412-F488 HydrophobicContact CE-CE1 4.5Å; M412-F488 HydrophobicContact CE-CG 3.32Å; M412-F488 HydrophobicContact SD-CB 3.7Å; M412-F488 HydrophobicContact SD-CD2 4.44Å; M412-F488 HydrophobicContact SD-CG 4.18Å; M484-F488 WeakPolarHBondContact O-CB 3.47Å; M484-F488 PolarHBondContact O-N 3.42Å; C485-F488 PolarHBondContact O-N 2.89Å; Q486-F488 VanDerWaalsContact C-N 3.34Å; Q486-F488 PolarHBondContact O-N 2.96Å; F488-Q490 VanDerWaalsContact C-N 3.32Å; F488-Q490 PolarHBondContact O-N 3.49Å; F488-E491 PolarHBondContact O-N 3.28Å; F488-N492 HydrophobicContact CE1-CB 4.48Å; F488-N492 WeakPolarHBondContact O-CB 3.37Å; F488-N492 PolarHBondContact O-N 3.43Å; F488-I564 HydrophobicContact CE1-CD1 3.87Å; F488-I564 HydrophobicContact CE1-CG1 4.44Å; F488-I564 HydrophobicContact CZ-CD1 3.84Å; F488-I564 HydrophobicContact CZ-CG1 4.08Å
489	L	81.3	Confident	79.2	Confident	15 Å²	15	67.1 Å²	67.1	8%	0.079	32%	0.317	C	S	.	.	H	α-helix	trans	-62.9	-39.1	177.8	-75	173.9	0	0	0	111.9	Y302 W305 C485 Q486 K487 S493	Y302-L489 HydrophobicContact CD2-CD2 3.96Å; Y302-L489 HydrophobicContact CE2-CD2 4.47Å; W305-L489 HydrophobicContact CB-CD1 3.99Å; W305-L489 HydrophobicContact CB-CD2 4.19Å; W305-L489 HydrophobicContact CD2-CD2 3.63Å; W305-L489 HydrophobicContact CE3-CD2 4Å; W305-L489 HydrophobicContact CG-CD1 4.3Å; W305-L489 HydrophobicContact CG-CD2 3.73Å; C485-L489 WeakPolarHBondContact O-CB 3.3Å; C485-L489 VanDerWaalsContact O-CG 3.26Å; C485-L489 WeakPolarHBondContact O-CG 3.26Å; C485-L489 PolarHBondContact O-N 3.4Å; Q486-L489 PolarHBondContact O-N 3.34Å; K487-L489 PolarHBondContact O-N 2.92Å; L489-S493 WeakPolarHBondContact O-CB 3.19Å; L489-S493 PolarHBondContact O-N 2.98Å
490	Q	81.6	Confident	78.7	Confident	130 Å²	130	66.3 Å²	66.3	61%	0.607	31%	0.311	S	S	*	.	H	α-helix	trans	-62.7	-51.7	174.6	-70.8	174.3	5.5	0	0	111.1	Q486 K487 F488 N492 S493 W494	Q486-Q490 WeakPolarHBondContact O-CG 3.24Å; Q486-Q490 PolarHBondContact O-N 3.42Å; K487-Q490 WeakPolarHBondContact O-CB 3.32Å; K487-Q490 PolarHBondContact O-N 2.95Å; F488-Q490 VanDerWaalsContact C-N 3.32Å; F488-Q490 PolarHBondContact O-N 3.49Å; Q490-N492 VanDerWaalsContact C-N 3.33Å; Q490-N492 PolarHBondContact O-N 3.47Å; Q490-S493 PolarHBondContact O-N 2.98Å; Q490-S493 PolarHBondContact O-OG 3.02Å; Q490-W494 PolarHBondContact O-N 3.37Å
491	E	81.4	Confident	78	Confident	123 Å²	123	67.5 Å²	67.5	58%	0.575	31%	0.313	S	S	*	.	H	α-helix	trans	-60.4	-42.1	177.2	-71.9	-178.2	-179.9	0	0	112.2	K487 F488 W494 N495	K487-E491 PolarHBondContact O-N 3.23Å; F488-E491 PolarHBondContact O-N 3.28Å; E491-W494 PolarHBondContact O-N 2.45Å; E491-N495 WeakPolarHBondContact O-CB 3.43Å; E491-N495 VanDerWaalsContact O-CG 3.25Å; E491-N495 PolarHBondContact O-N 2.87Å; E491-N495 PolarHBondContact O-ND2 3.07Å
492	N	80.8	Confident	77.3	Confident	4 Å²	4	69 Å²	69	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-63.4	-43.6	177.4	-172.2	37	0	0	0	111	F488 Q490 W494 N495 I496 A563 I564	F488-N492 HydrophobicContact CE1-CB 4.48Å; F488-N492 WeakPolarHBondContact O-CB 3.37Å; F488-N492 PolarHBondContact O-N 3.43Å; Q490-N492 VanDerWaalsContact C-N 3.33Å; Q490-N492 PolarHBondContact O-N 3.47Å; N492-W494 VanDerWaalsContact C-N 3.32Å; N492-W494 PolarHBondContact O-N 2.9Å; N492-N495 PolarHBondContact O-N 3.45Å; N492-I496 WeakPolarHBondContact O-CB 3.33Å; N492-I496 WeakPolarHBondContact O-CD1 3.34Å; N492-I496 WeakPolarHBondContact O-CG1 3.42Å; N492-I496 PolarHBondContact O-N 2.62Å; N492-A563 WeakPolarHBondContact OD1-CB 3.47Å; N492-I564 PolarHBondContact ND2-O 3.4Å; N492-I564 PolarHBondContact OD1-N 3.34Å; N492-I564 PolarHBondContact OD1-O 3.19Å
493	S	74.7	Confident	76.6	Confident	58 Å²	58	72.9 Å²	72.9	41%	0.406	33%	0.334	S	S	.	.	H	α-helix	trans	-60.2	-42.4	176.4	77.3	0	0	0	0	112	L489 Q490 I496 F497	L489-S493 WeakPolarHBondContact O-CB 3.19Å; L489-S493 PolarHBondContact O-N 2.98Å; Q490-S493 PolarHBondContact O-N 2.98Å; Q490-S493 PolarHBondContact O-OG 3.02Å; S493-I496 PolarHBondContact O-N 3.2Å; S493-F497 WeakPolarHBondContact O-CB 3.44Å; S493-F497 PolarHBondContact O-N 3.31Å
494	W	74.1	Confident	75.7	Confident	152 Å²	152	73.7 Å²	73.7	58%	0.576	34%	0.337	S	S	*	.	H	α-helix	trans	-66.2	-44.9	175.7	176	-114.4	0	0	0	112.1	Q490 E491 N492 I496 F497 R498	Q490-W494 PolarHBondContact O-N 3.37Å; E491-W494 PolarHBondContact O-N 2.45Å; N492-W494 VanDerWaalsContact C-N 3.32Å; N492-W494 PolarHBondContact O-N 2.9Å; W494-I496 VanDerWaalsContact C-N 3.29Å; W494-I496 PolarHBondContact O-N 3.24Å; W494-F497 AromaticContact CE3-CD1 3.92Å; W494-F497 HydrophobicContact CE3-CD1 3.92Å; W494-F497 HydrophobicContact CH2-CD1 4.39Å; W494-F497 HydrophobicContact CH2-CE1 4.49Å; W494-F497 AromaticContact CZ3-CD1 3.63Å; W494-F497 HydrophobicContact CZ3-CD1 3.63Å; W494-F497 AromaticContact CZ3-CE1 3.93Å; W494-F497 HydrophobicContact CZ3-CE1 3.93Å; W494-F497 PolarHBondContact O-N 3.39Å; W494-R498 WeakPolarHBondContact O-CB 3.39Å; W494-R498 PolarHBondContact O-N 3.28Å
495	N	75.9	Confident	74.8	Confident	59 Å²	59	79.4 Å²	79.4	32%	0.316	37%	0.367	S	S	.	.	H	α-helix	trans	-63.2	-37	178.2	-77.7	-31.8	0	0	0	112.1	E491 N492 K499	E491-N495 WeakPolarHBondContact O-CB 3.43Å; E491-N495 VanDerWaalsContact O-CG 3.25Å; E491-N495 PolarHBondContact O-N 2.87Å; E491-N495 PolarHBondContact O-ND2 3.07Å; N492-N495 PolarHBondContact O-N 3.45Å; N495-K499 WeakPolarHBondContact O-CB 3.26Å; N495-K499 VanDerWaalsContact O-CG 3.26Å; N495-K499 WeakPolarHBondContact O-CG 3.47Å; N495-K499 PolarHBondContact O-N 2.83Å
496	I	72.1	Confident	73.8	Confident	5 Å²	5	84.4 Å²	84.4	3%	0.026	40%	0.398	C	S	.	.	H	α-helix	trans	-65.9	-51.5	172.9	-67.9	164	0	0	0	109.8	N492 S493 W494 R498 K499 D500	N492-I496 WeakPolarHBondContact O-CB 3.33Å; N492-I496 WeakPolarHBondContact O-CD1 3.34Å; N492-I496 WeakPolarHBondContact O-CG1 3.42Å; N492-I496 PolarHBondContact O-N 2.62Å; S493-I496 PolarHBondContact O-N 3.2Å; W494-I496 VanDerWaalsContact C-N 3.29Å; W494-I496 PolarHBondContact O-N 3.24Å; I496-R498 VanDerWaalsContact C-N 3.33Å; I496-R498 PolarHBondContact O-N 3.25Å; I496-K499 PolarHBondContact O-N 2.87Å; I496-K499 VanDerWaalsContact O-N 3.15Å; I496-D500 WeakPolarHBondContact CG2-OD2 3.35Å; I496-D500 WeakPolarHBondContact O-CB 3.38Å; I496-D500 VanDerWaalsContact O-CG 3.26Å; I496-D500 PolarHBondContact O-N 3Å
497	F	71.9	Confident	72.3	Confident	110 Å²	110	86.1 Å²	86.1	48%	0.482	41%	0.406	S	S	.	.	H	α-helix	trans	-56.1	-46.5	177.9	175.7	-99.8	0	0	0	112	S493 W494 K499 D500 L501	S493-F497 WeakPolarHBondContact O-CB 3.44Å; S493-F497 PolarHBondContact O-N 3.31Å; W494-F497 AromaticContact CE3-CD1 3.92Å; W494-F497 HydrophobicContact CE3-CD1 3.92Å; W494-F497 HydrophobicContact CH2-CD1 4.39Å; W494-F497 HydrophobicContact CH2-CE1 4.49Å; W494-F497 AromaticContact CZ3-CD1 3.63Å; W494-F497 HydrophobicContact CZ3-CD1 3.63Å; W494-F497 AromaticContact CZ3-CE1 3.93Å; W494-F497 HydrophobicContact CZ3-CE1 3.93Å; W494-F497 PolarHBondContact O-N 3.39Å; F497-K499 PolarHBondContact O-N 3.41Å; F497-D500 PolarHBondContact O-N 2.84Å; F497-L501 HydrophobicContact CE1-CD1 3.78Å; F497-L501 HydrophobicContact CZ-CD1 3.79Å; F497-L501 VanDerWaalsContact O-CB 3.27Å; F497-L501 WeakPolarHBondContact O-CB 3.47Å; F497-L501 PolarHBondContact O-N 2.86Å
498	R	72.4	Confident	70.5	Confident	143 Å²	143	84.4 Å²	84.4	54%	0.54	41%	0.407	S	S	.	.	H	α-helix	trans	-60.3	-44.1	176.7	-177	-178.3	178.3	-175.9	1.8	111.8	W494 I496 D500 L502	W494-R498 WeakPolarHBondContact O-CB 3.39Å; W494-R498 PolarHBondContact O-N 3.28Å; I496-R498 VanDerWaalsContact C-N 3.33Å; I496-R498 PolarHBondContact O-N 3.25Å; R498-D500 VanDerWaalsContact C-N 3.34Å; R498-L502 HydrophobicContact CG-CD1 4.12Å; R498-L502 VanDerWaalsContact O-CB 3.3Å; R498-L502 WeakPolarHBondContact O-CB 3.02Å; R498-L502 VanDerWaalsContact O-CG 3.24Å; R498-L502 WeakPolarHBondContact O-CG 3.37Å; R498-L502 PolarHBondContact O-N 3.4Å
499	K	73.9	Confident	68.7	Low	95 Å²	95	94.1 Å²	94.1	41%	0.413	44%	0.443	S	S	.	.	H	α-helix	trans	-64.3	-40.1	176.7	-78.9	175.8	-178.7	175.2	0	111.6	N495 I496 F497 R503	N495-K499 WeakPolarHBondContact O-CB 3.26Å; N495-K499 VanDerWaalsContact O-CG 3.26Å; N495-K499 WeakPolarHBondContact O-CG 3.47Å; N495-K499 PolarHBondContact O-N 2.83Å; I496-K499 PolarHBondContact O-N 2.87Å; I496-K499 VanDerWaalsContact O-N 3.15Å; F497-K499 PolarHBondContact O-N 3.41Å; K499-R503 WeakPolarHBondContact O-CB 3.41Å; K499-R503 PolarHBondContact O-N 2.79Å
500	D	70.1	Confident	67.1	Low	24 Å²	24	101.3 Å²	101.3	13%	0.128	48%	0.476	C	S	.	.	H	α-helix	trans	-70.2	-42.2	179.2	-67.5	-18.5	0	0	0	110.8	I496 F497 R498 R503 L504 R568 I571	I496-D500 WeakPolarHBondContact CG2-OD2 3.35Å; I496-D500 WeakPolarHBondContact O-CB 3.38Å; I496-D500 VanDerWaalsContact O-CG 3.26Å; I496-D500 PolarHBondContact O-N 3Å; F497-D500 PolarHBondContact O-N 2.84Å; R498-D500 VanDerWaalsContact C-N 3.34Å; D500-R503 WeakPolarHBondContact O-CB 3.5Å; D500-R503 PolarHBondContact O-N 2.77Å; D500-L504 VanDerWaalsContact O-CG 3.31Å; D500-L504 WeakPolarHBondContact O-CG 3.44Å; D500-L504 PolarHBondContact O-N 2.92Å; D500-R568 IonicContact OD2-NH1 3.39Å; D500-R568 PolarHBondContact OD2-NH1 3.17Å; D500-I571 HydrophobicContact CB-CD1 3.94Å; D500-I571 VanDerWaalsContact OD1-CD1 3.32Å; D500-I571 WeakPolarHBondContact OD1-CD1 3.48Å; D500-I571 WeakPolarHBondContact OD2-CD1 3.4Å
501	L	66.5	Low	65.3	Low	69 Å²	69	99.6 Å²	99.6	36%	0.361	48%	0.479	S	S	.	.	H	α-helix	trans	-63.8	-45.8	174.2	-177.8	149.9	0	0	0	111.6	F497 R503 L504 L505	F497-L501 HydrophobicContact CE1-CD1 3.78Å; F497-L501 HydrophobicContact CZ-CD1 3.79Å; F497-L501 VanDerWaalsContact O-CB 3.27Å; F497-L501 WeakPolarHBondContact O-CB 3.47Å; F497-L501 PolarHBondContact O-N 2.86Å; L501-R503 VanDerWaalsContact C-N 3.28Å; L501-R503 PolarHBondContact O-N 2.91Å; L501-L504 PolarHBondContact O-N 3.11Å; L501-L504 VanDerWaalsContact O-N 3.17Å; L501-L505 HydrophobicContact CD2-CD1 3.42Å; L501-L505 VanDerWaalsContact CD2-CD1 3.42Å; L501-L505 HydrophobicContact CD2-CG 4.11Å; L501-L505 HydrophobicContact CG-CD1 4.24Å; L501-L505 WeakPolarHBondContact O-CB 3.4Å; L501-L505 VanDerWaalsContact O-CG 3.31Å; L501-L505 WeakPolarHBondContact O-CG 3.45Å; L501-L505 PolarHBondContact O-N 3.19Å
502	L	66.8	Low	63.4	Low	83 Å²	83	98.7 Å²	98.7	44%	0.435	48%	0.483	S	S	.	.	H	α-helix	trans	-60.5	-40.4	174	-76.4	172.5	0	0	0	111	R498 L505 V506	R498-L502 HydrophobicContact CG-CD1 4.12Å; R498-L502 VanDerWaalsContact O-CB 3.3Å; R498-L502 WeakPolarHBondContact O-CB 3.02Å; R498-L502 VanDerWaalsContact O-CG 3.24Å; R498-L502 WeakPolarHBondContact O-CG 3.37Å; R498-L502 PolarHBondContact O-N 3.4Å; L502-L505 PolarHBondContact O-N 2.86Å; L502-V506 WeakPolarHBondContact O-CB 3.31Å; L502-V506 WeakPolarHBondContact O-CG2 3.31Å; L502-V506 PolarHBondContact O-N 3Å
503	R	65.9	Low	61.4	Low	129 Å²	129	104 Å²	104	49%	0.487	52%	0.519	S	S	.	.	H	α-helix	trans	-62.3	-44.5	174	-176.3	-178.7	-62.7	-178.3	-4.1	111.4	K499 D500 L501 L505 V506 E507	K499-R503 WeakPolarHBondContact O-CB 3.41Å; K499-R503 PolarHBondContact O-N 2.79Å; D500-R503 WeakPolarHBondContact O-CB 3.5Å; D500-R503 PolarHBondContact O-N 2.77Å; L501-R503 VanDerWaalsContact C-N 3.28Å; L501-R503 PolarHBondContact O-N 2.91Å; R503-L505 VanDerWaalsContact C-N 3.34Å; R503-L505 PolarHBondContact O-N 2.86Å; R503-V506 PolarHBondContact O-N 3.44Å; R503-E507 WeakPolarHBondContact CD-OE1 3.18Å; R503-E507 HydrophobicContact CG-CG 3.94Å; R503-E507 VanDerWaalsContact CG-OE1 3.27Å; R503-E507 WeakPolarHBondContact CG-OE1 3.4Å; R503-E507 WeakPolarHBondContact O-CA 3.27Å; R503-E507 WeakPolarHBondContact O-CB 3.32Å; R503-E507 WeakPolarHBondContact O-CG 3.29Å; R503-E507 PolarHBondContact O-N 3.07Å
504	L	66.2	Low	59.7	Low	91 Å²	91	110.7 Å²	110.7	48%	0.476	54%	0.541	S	S	.	.	H	α-helix	trans	-64.9	-36.4	178.2	-71.9	170	0	0	0	112.8	D500 L501 L575	D500-L504 VanDerWaalsContact O-CG 3.31Å; D500-L504 WeakPolarHBondContact O-CG 3.44Å; D500-L504 PolarHBondContact O-N 2.92Å; L501-L504 PolarHBondContact O-N 3.11Å; L501-L504 VanDerWaalsContact O-N 3.17Å; L504-L575 HydrophobicContact CD2-CD1 4.37Å
505	L	62	Low	58	Low	133 Å²	133	108.3 Å²	108.3	70%	0.696	54%	0.544	S	S	*	.	H	α-helix	trans	-79.6	-32.1	179.1	-67.5	-177.9	0	0	0	113.1	L501 L502 R503	L501-L505 HydrophobicContact CD2-CD1 3.42Å; L501-L505 VanDerWaalsContact CD2-CD1 3.42Å; L501-L505 HydrophobicContact CD2-CG 4.11Å; L501-L505 HydrophobicContact CG-CD1 4.24Å; L501-L505 WeakPolarHBondContact O-CB 3.4Å; L501-L505 VanDerWaalsContact O-CG 3.31Å; L501-L505 WeakPolarHBondContact O-CG 3.45Å; L501-L505 PolarHBondContact O-N 3.19Å; L502-L505 PolarHBondContact O-N 2.86Å; R503-L505 VanDerWaalsContact C-N 3.34Å; R503-L505 PolarHBondContact O-N 2.86Å
506	V	63	Low	56.1	Low	107 Å²	107	110.8 Å²	110.8	65%	0.648	56%	0.564	S	S	*	*	H	α-helix	trans	-97.9	-17.8	-175.9	-179.8	0	0	0	0	112.3	L502 R503 P508	L502-V506 WeakPolarHBondContact O-CB 3.31Å; L502-V506 WeakPolarHBondContact O-CG2 3.31Å; L502-V506 PolarHBondContact O-N 3Å; R503-V506 PolarHBondContact O-N 3.44Å; V506-P508 WeakPolarHBondContact O-CD 3.31Å
507	E	51	Low	54.7	Low	114 Å²	114	118.4 Å²	118.4	53%	0.533	60%	0.603	S	S	.	*	S	Bend	trans	-55.4	109.1	169.4	-93.1	178	-170.9	0	0	107.2	R503 R509	R503-E507 WeakPolarHBondContact CD-OE1 3.18Å; R503-E507 HydrophobicContact CG-CG 3.94Å; R503-E507 VanDerWaalsContact CG-OE1 3.27Å; R503-E507 WeakPolarHBondContact CG-OE1 3.4Å; R503-E507 WeakPolarHBondContact O-CA 3.27Å; R503-E507 WeakPolarHBondContact O-CB 3.32Å; R503-E507 WeakPolarHBondContact O-CG 3.29Å; R503-E507 PolarHBondContact O-N 3.07Å; E507-R509 PolarHBondContact O-N 3.2Å
508	P	45.8	Very low	53.2	Low	90 Å²	90	123.1 Å²	123.1	58%	0.584	62%	0.617	S	S	*	*			trans	-57.3	138.4	164.9	3.3	9.2	0	0	0	104.1	V506 Q510	V506-P508 WeakPolarHBondContact O-CD 3.31Å; P508-Q510 PolarHBondContact O-N 3.4Å
509	R	46.4	Very low	51.6	Low	242 Å²	242	122 Å²	122	91%	0.913	63%	0.628	S	S	*	*			trans	-53.8	89.5	164.6	-66.4	179.4	-179.4	-174.9	-0	106.6	E507 S511	E507-R509 PolarHBondContact O-N 3.2Å; R509-S511 PolarHBondContact O-N 2.93Å
510	Q	46.8	Very low	50.1	Low	166 Å²	166	126.9 Å²	126.9	78%	0.776	65%	0.65	S	S	*	*			trans	-72.4	71.2	172.8	-70.1	-169.5	14.1	0	0	104.4	P508	P508-Q510 PolarHBondContact O-N 3.4Å
511	S	43.3	Very low	48.8	Very low	95 Å²	95	135.3 Å²	135.3	66%	0.664	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-48.8	122.2	143.7	51.5	0	0	0	0	104.4	R509 P513	R509-S511 PolarHBondContact O-N 2.93Å; S511-P513 VanDerWaalsContact O-N 3.14Å
512	P	41.7	Very low	47.6	Very low	103 Å²	103	141.7 Å²	141.7	67%	0.669	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-51	131.5	172.2	20.8	-29.9	0	0	0	105.9	F514	P512-F514 PolarHBondContact O-N 2.94Å
513	P	38.9	Very low	46.5	Very low	117 Å²	117	145.6 Å²	145.6	76%	0.76	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-52.4	120.4	174.7	21.5	-30.6	0	0	0	105.4	S511 P515	S511-P513 VanDerWaalsContact O-N 3.14Å; P513-P515 WeakPolarHBondContact O-CD 3.31Å
514	F	39.2	Very low	45.7	Very low	198 Å²	198	144.4 Å²	144.4	87%	0.868	73%	0.728	S	S	*	*			trans	-41.7	110.3	175.5	-111	-93.1	0	0	0	105.8	P512 P516	P512-F514 PolarHBondContact O-N 2.94Å; F514-P516 WeakPolarHBondContact O-CD 3.39Å
515	P	38.8	Very low	44.7	Very low	101 Å²	101	146.8 Å²	146.8	66%	0.656	73%	0.732	S	S	*	*			trans	-63.6	114.1	172.9	23.3	-27.4	0	0	0	103.2	P513 I517	P513-P515 WeakPolarHBondContact O-CD 3.31Å; P515-I517 PolarHBondContact O-N 2.85Å
516	P	36.2	Very low	44.1	Very low	111 Å²	111	145 Å²	145	72%	0.721	72%	0.723	S	S	*	*			trans	-57.7	121	171.8	24.3	-30.3	0	0	0	104.4	F514 R518	F514-P516 WeakPolarHBondContact O-CD 3.39Å; P516-R518 VanDerWaalsContact C-N 3.31Å; P516-R518 PolarHBondContact O-N 2.93Å
517	I	40.9	Very low	43.4	Very low	166 Å²	166	144.4 Å²	144.4	85%	0.851	72%	0.722	S	S	*	*			trans	-51	105.1	174.9	-66.4	165.6	0	0	0	105	P515 P519	P515-I517 PolarHBondContact O-N 2.85Å; I517-P519 VanDerWaalsContact O-CD 3.27Å; I517-P519 WeakPolarHBondContact O-CD 3.41Å
518	R	40.9	Very low	43.3	Very low	208 Å²	208	148.2 Å²	148.2	79%	0.785	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-67	121.4	175.8	-71.7	-176.2	-179.2	179.6	2.3	104.9	P516 K520	P516-R518 VanDerWaalsContact C-N 3.31Å; P516-R518 PolarHBondContact O-N 2.93Å; R518-K520 PolarHBondContact O-N 2.91Å; R518-K520 VanDerWaalsContact O-N 3.13Å
519	P	40.1	Very low	43.8	Very low	119 Å²	119	146.8 Å²	146.8	77%	0.773	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-57.5	125.3	163.5	24	-29.5	0	0	0	106.3	I517 K521	I517-P519 VanDerWaalsContact O-CD 3.27Å; I517-P519 WeakPolarHBondContact O-CD 3.41Å; P519-K521 PolarHBondContact O-N 3.31Å
520	K	41.5	Very low	44	Very low	199 Å²	199	141.3 Å²	141.3	87%	0.865	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-48.2	130.7	173.5	-72.2	179.4	175.1	179.9	0	107.5	R518 K522	R518-K520 PolarHBondContact O-N 2.91Å; R518-K520 VanDerWaalsContact O-N 3.13Å; K520-K522 PolarHBondContact O-N 3.29Å
521	K	41.9	Very low	44.1	Very low	200 Å²	200	138.8 Å²	138.8	87%	0.87	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-48.4	120	169.4	-89.1	-178.4	171.5	-177.1	0	106.8	P519 E523	P519-K521 PolarHBondContact O-N 3.31Å; K521-E523 PolarHBondContact O-N 2.98Å
522	K	42.8	Very low	44.2	Very low	203 Å²	203	139.3 Å²	139.3	88%	0.883	71%	0.712	S	S	*	*			trans	-61.9	109.4	164.9	-81.7	-175.4	174.3	-176.1	0	105.9	K520 I524	K520-K522 PolarHBondContact O-N 3.29Å; K522-I524 PolarHBondContact O-N 3.4Å
523	E	44	Very low	44.5	Very low	166 Å²	166	138.3 Å²	138.3	78%	0.776	70%	0.701	S	S	*	*			trans	-59.9	131.5	168.1	-70.7	174.7	169.9	0	0	107.3	K521 Y525	K521-E523 PolarHBondContact O-N 2.98Å; E523-Y525 PolarHBondContact O-N 2.92Å
524	I	48.7	Very low	45.1	Very low	103 Å²	103	138.4 Å²	138.4	53%	0.528	70%	0.695	S	S	.	*	S	Bend	trans	-67.6	-2.2	-178.8	-63.9	166.1	0	0	0	111	K522	K522-I524 PolarHBondContact O-N 3.4Å
525	Y	45.5	Very low	45.6	Very low	142 Å²	142	134.7 Å²	134.7	56%	0.557	69%	0.692	S	S	*	*			trans	-133.2	115.4	179.1	-169.5	-103.5	0	0	0	110.1	E523 P527	E523-Y525 PolarHBondContact O-N 2.92Å; Y525-P527 HydrophobicContact CD1-CB 4.39Å; Y525-P527 HydrophobicContact CE1-CB 3.91Å
526	N	48.1	Very low	46.1	Very low	96 Å²	96	132.4 Å²	132.4	51%	0.513	68%	0.678	S	S	.	*			trans	-100.7	111.3	167.3	-172.5	-1.7	0	0	0	107.6	K528 S529	N526-K528 PolarHBondContact O-N 3.48Å; N526-S529 PolarHBondContact O-N 2.98Å
527	P	49.3	Very low	46.6	Very low	94 Å²	94	132.2 Å²	132.2	61%	0.61	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-5.8	-171.3	24.2	-32.8	0	0	0	114.2	Y525	Y525-P527 HydrophobicContact CD1-CB 4.39Å; Y525-P527 HydrophobicContact CE1-CB 3.91Å
528	K	49.4	Very low	46.7	Very low	194 Å²	194	131.6 Å²	131.6	84%	0.843	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	-10.7	179.1	-67.5	-171.3	177.2	-174.7	0	115.2	N526	N526-K528 PolarHBondContact O-N 3.48Å
529	S	54.7	Low	46.8	Very low	60 Å²	60	130.5 Å²	130.5	42%	0.42	67%	0.669	S	S	.	*	T	Hydrogen-bonded Turn	trans	-117.5	-5.6	-172.6	60.3	0	0	0	0	116.2	N526 V531	N526-S529 PolarHBondContact O-N 2.98Å; S529-V531 WeakPolarHBondContact O-CG2 3.45Å; S529-V531 PolarHBondContact O-N 2.75Å
530	V	50.3	Low	46.6	Very low	127 Å²	127	134 Å²	134	77%	0.77	68%	0.678	S	S	*	*			trans	41.6	33.7	176.8	-158.9	0	0	0	0	113.8
531	V	50.3	Low	46.4	Very low	113 Å²	113	131.1 Å²	131.1	69%	0.685	68%	0.677	S	S	*	*			trans	-127.3	123.3	176.4	173.5	0	0	0	0	107	S529	S529-V531 WeakPolarHBondContact O-CG2 3.45Å; S529-V531 PolarHBondContact O-N 2.75Å
532	L	45.4	Very low	46.1	Very low	106 Å²	106	130.9 Å²	130.9	56%	0.555	68%	0.676	S	S	*	*			trans	-89.1	114.5	-177.2	-142.6	140.3	0	0	0	108	L534	L532-L534 HydrophobicContact CD2-CD2 3.64Å; L532-L534 HydrophobicContact CD2-CG 4.3Å; L532-L534 PolarHBondContact O-N 3.16Å
533	D	48.1	Very low	45.8	Very low	82 Å²	82	127 Å²	127	44%	0.439	67%	0.672	S	S	.	*			trans	-78.3	87	179.2	-177.3	11.5	0	0	0	110.4	C535 S536	D533-C535 PolarHBondContact O-N 3.46Å; D533-C535 WeakPolarHBondContact OD1-CB 3.33Å; D533-C535 PolarHBondContact OD1-N 3.46Å; D533-S536 PolarHBondContact OD2-OG 3.23Å
534	L	51.2	Low	45.3	Very low	119 Å²	119	130 Å²	130	62%	0.623	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-69	-14.9	-179.1	-65.7	170.3	0	0	0	113.1	L532 S536 I537	L532-L534 HydrophobicContact CD2-CD2 3.64Å; L532-L534 HydrophobicContact CD2-CG 4.3Å; L532-L534 PolarHBondContact O-N 3.16Å; L534-S536 PolarHBondContact O-N 3.39Å; L534-I537 HydrophobicContact CB-CD1 4.41Å; L534-I537 HydrophobicContact CD2-CD1 3.57Å; L534-I537 PolarHBondContact O-N 3.15Å
535	C	49.3	Very low	44.5	Very low	120 Å²	120	135.3 Å²	135.3	81%	0.811	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-74.6	-7.8	-177.3	-66.1	0	0	0	0	113.8	D533	D533-C535 PolarHBondContact O-N 3.46Å; D533-C535 WeakPolarHBondContact OD1-CB 3.33Å; D533-C535 PolarHBondContact OD1-N 3.46Å
536	S	48.5	Very low	44	Very low	53 Å²	53	133.8 Å²	133.8	37%	0.371	70%	0.698	S	S	.	*	G	3₁₀ helix	trans	-95.2	-6.7	-180	-63.8	0	0	0	0	114.3	D533 L534 N538	D533-S536 PolarHBondContact OD2-OG 3.23Å; L534-S536 PolarHBondContact O-N 3.39Å; S536-N538 VanDerWaalsContact C-N 3.34Å; S536-N538 PolarHBondContact O-N 2.96Å
537	I	46.8	Very low	43.3	Very low	106 Å²	106	136.3 Å²	136.3	54%	0.544	71%	0.71	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.7	-22.5	-166.5	-74.1	173.2	0	0	0	114.4	L534	L534-I537 HydrophobicContact CB-CD1 4.41Å; L534-I537 HydrophobicContact CD2-CD1 3.57Å; L534-I537 PolarHBondContact O-N 3.15Å
538	N	43.4	Very low	42.4	Very low	154 Å²	154	141 Å²	141	82%	0.824	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.8	15.5	-173.1	-87.8	-10	0	0	0	116.5	S536 M540	S536-N538 VanDerWaalsContact C-N 3.34Å; S536-N538 PolarHBondContact O-N 2.96Å; N538-M540 PolarHBondContact O-N 3.48Å; N538-M540 VanDerWaalsContact O-N 3.16Å
539	K	43.2	Very low	41.6	Very low	184 Å²	184	139.6 Å²	139.6	80%	0.8	72%	0.72	S	S	*	*			trans	-84.7	89.3	172.2	-72.4	-174	-179.9	177.4	0	110.9	T541	K539-T541 PolarHBondContact O-N 3.46Å
540	M	36.9	Very low	40.4	Very low	194 Å²	194	140.8 Å²	140.8	96%	0.956	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-60.7	116.1	170.3	-75.7	-153.4	-179.9	0	0	110.7	N538	N538-M540 PolarHBondContact O-N 3.48Å; N538-M540 VanDerWaalsContact O-N 3.16Å
541	T	37.6	Very low	39.6	Very low	137 Å²	137	140.5 Å²	140.5	84%	0.84	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-92.9	123.8	164.5	30.2	0	0	0	0	108.7	K539	K539-T541 PolarHBondContact O-N 3.46Å
542	K	34.4	Very low	39	Very low	196 Å²	196	142.9 Å²	142.9	85%	0.852	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-53.6	145.7	179.1	-73.1	-178.4	176.6	-178.6	0	111.8
543	P	35.9	Very low	38.7	Very low	122 Å²	122	147.3 Å²	147.3	79%	0.792	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-69	138	177.2	28.6	-32.3	0	0	0	110.8
544	R	34.6	Very low	38.2	Very low	227 Å²	227	152.4 Å²	152.4	86%	0.857	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-92.7	128.8	166.4	-70.9	-178.5	177.5	-177	-2.4	108.1
545	Y	31.6	Very low	37.4	Very low	215 Å²	215	154.1 Å²	154.1	84%	0.843	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-57.1	147	174.9	-55.2	-86.8	0	0	0	111.7
546	P	35.3	Very low	36.4	Very low	110 Å²	110	153.9 Å²	153.9	71%	0.714	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-77.5	125.1	170.5	31	-29.4	0	0	0	109.6	F548	P546-F548 PolarHBondContact O-N 3.13Å
547	I	34	Very low	35.7	Very low	149 Å²	149	156.4 Å²	156.4	76%	0.764	79%	0.788	S	S	*	*			trans	-74	113.2	161	-64.5	169.9	0	0	0	105.8	M549	I547-M549 HydrophobicContact CG2-CE 4.38Å; I547-M549 PolarHBondContact O-N 3.4Å
548	F	30.1	Very low	34.9	Very low	192 Å²	192	159.6 Å²	159.6	84%	0.842	81%	0.805	S	S	*	*			trans	-56.8	121.8	168.6	-93.7	-96.9	0	0	0	109.4	P546	P546-F548 PolarHBondContact O-N 3.13Å
549	M	32.2	Very low	34.4	Very low	165 Å²	165	162.5 Å²	162.5	81%	0.813	81%	0.805	S	S	*	*			trans	-103.3	110.7	160.6	-76.5	-75.8	163.6	0	0	107.1	I547	I547-M549 HydrophobicContact CG2-CE 4.38Å; I547-M549 PolarHBondContact O-N 3.4Å
550	A	30	Very low	33.9	Very low	86 Å²	86	161.2 Å²	161.2	71%	0.711	81%	0.805	S	S	*	*			trans	-75.4	140.1	168	0	0	0	0	0	109.3	Q552	A550-Q552 PolarHBondContact O-N 3.3Å
551	P	33.5	Very low	33.8	Very low	121 Å²	121	155.7 Å²	155.7	79%	0.786	78%	0.782	S	S	*	*			trans	-73.8	115.7	173.4	27.8	-29.5	0	0	0	109.7	K553	P551-K553 VanDerWaalsContact C-N 3.34Å; P551-K553 PolarHBondContact O-N 3.47Å
552	Q	37	Very low	34	Very low	162 Å²	162	157.2 Å²	157.2	76%	0.757	78%	0.78	S	S	*	*			trans	-68.5	92.7	164.9	-79.1	-174.4	-27.9	0	0	109.1	A550 Y554	A550-Q552 PolarHBondContact O-N 3.3Å; Q552-Y554 HydrophobicContact CB-CD2 3.88Å; Q552-Y554 HydrophobicContact CB-CE2 3.93Å; Q552-Y554 HydrophobicContact CG-CD2 4.01Å; Q552-Y554 HydrophobicContact CG-CE2 3.54Å
553	K	39.2	Very low	34.5	Very low	200 Å²	200	148.8 Å²	148.8	87%	0.87	75%	0.747	S	S	*	*			trans	-84.9	109.1	150.7	-81.5	-175.6	175.5	-178	0	106.9	P551	P551-K553 VanDerWaalsContact C-N 3.34Å; P551-K553 PolarHBondContact O-N 3.47Å
554	Y	37.8	Very low	35.2	Very low	188 Å²	188	143.7 Å²	143.7	74%	0.737	71%	0.712	S	S	*	*			trans	-116.7	125.8	163.9	-73.9	-69.3	0	0	0	109.6	Q552	Q552-Y554 HydrophobicContact CB-CD2 3.88Å; Q552-Y554 HydrophobicContact CB-CE2 3.93Å; Q552-Y554 HydrophobicContact CG-CD2 4.01Å; Q552-Y554 HydrophobicContact CG-CE2 3.54Å
555	L	33.6	Very low	35.9	Very low	155 Å²	155	138.4 Å²	138.4	81%	0.812	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-48.8	153.4	152.9	-72.1	156.4	0	0	0	109.6	P557	L555-P557 WeakPolarHBondContact O-CD 3.15Å
556	P	28	Very low	36.5	Very low	116 Å²	116	128.8 Å²	128.8	75%	0.753	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-61	128.4	175.8	27	-32.3	0	0	0	108.9	L558	P556-L558 PolarHBondContact O-N 3.24Å
557	P	35.7	Very low	36.8	Very low	105 Å²	105	126.6 Å²	126.6	68%	0.682	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-71.1	130.5	171.6	28.2	-30.2	0	0	0	108.2	L555 R559	L555-P557 WeakPolarHBondContact O-CD 3.15Å; P557-R559 PolarHBondContact O-N 3.37Å
558	L	29.9	Very low	37.2	Very low	174 Å²	174	125.2 Å²	125.2	91%	0.911	63%	0.631	S	S	*	*			trans	-52.2	110.5	158.3	-71.2	165.1	0	0	0	107.1	P556 I560	P556-L558 PolarHBondContact O-N 3.24Å; L558-I560 PolarHBondContact O-N 2.7Å
559	R	32.4	Very low	37.6	Very low	215 Å²	215	122.6 Å²	122.6	81%	0.811	62%	0.617	S	S	*	*			trans	-79.3	105.2	-178.7	-81.9	-175	175.9	177.6	1.2	109.1	P557 V561	P557-R559 PolarHBondContact O-N 3.37Å; R559-V561 HydrophobicContact CB-CG2 3.84Å; R559-V561 PolarHBondContact O-N 3.36Å
560	I	32.1	Very low	37.7	Very low	157 Å²	157	122.7 Å²	122.7	81%	0.805	61%	0.613	S	S	*	*			trans	-73.6	99.4	154.3	-59.7	172.4	0	0	0	105.9	L558 Q562	L558-I560 PolarHBondContact O-N 2.7Å; I560-Q562 PolarHBondContact O-N 3.4Å; I560-Q562 VanDerWaalsContact O-N 3.13Å
561	V	35.4	Very low	38	Very low	77 Å²	77	121.1 Å²	121.1	47%	0.467	59%	0.592	S	S	.	*			trans	-81.1	92.2	-177.4	-176.2	0	0	0	0	108.8	R559 A563 I564	R559-V561 HydrophobicContact CB-CG2 3.84Å; R559-V561 PolarHBondContact O-N 3.36Å; V561-A563 VanDerWaalsContact CG1-C 3.47Å; V561-A563 WeakPolarHBondContact CG1-O 3.27Å; V561-A563 PolarHBondContact O-N 2.69Å; V561-I564 HydrophobicContact CG1-CG1 3.95Å
562	Q	40.9	Very low	38.2	Very low	170 Å²	170	122.6 Å²	122.6	79%	0.794	59%	0.588	S	S	*	*	S	Bend	trans	-67.7	-14.1	172.8	-71.2	-178.9	-15.2	0	0	113.4	I560	I560-Q562 PolarHBondContact O-N 3.4Å; I560-Q562 VanDerWaalsContact O-N 3.13Å
563	A	44.7	Very low	38.3	Very low	19 Å²	19	121 Å²	121	16%	0.157	58%	0.581	C	S	.	*	S	Bend	trans	-158.3	129.1	178.1	0	0	0	0	0	110	N492 V561 K565	N492-A563 WeakPolarHBondContact OD1-CB 3.47Å; V561-A563 VanDerWaalsContact CG1-C 3.47Å; V561-A563 WeakPolarHBondContact CG1-O 3.27Å; V561-A563 PolarHBondContact O-N 2.69Å; A563-K565 PolarHBondContact O-N 3.22Å
564	I	50.4	Low	38.2	Very low	14 Å²	14	118.7 Å²	118.7	7%	0.072	58%	0.577	C	S	.	*			trans	-84.3	114.2	177.4	-61	173.2	0	0	0	107.9	L296 V408 F488 N492 V561	L296-I564 HydrophobicContact CD1-CD1 3.19Å; V408-I564 HydrophobicContact CB-CD1 3.99Å; V408-I564 HydrophobicContact CG1-CD1 3.62Å; V408-I564 HydrophobicContact CG1-CG1 4.22Å; F488-I564 HydrophobicContact CE1-CD1 3.87Å; F488-I564 HydrophobicContact CE1-CG1 4.44Å; F488-I564 HydrophobicContact CZ-CD1 3.84Å; F488-I564 HydrophobicContact CZ-CG1 4.08Å; N492-I564 PolarHBondContact ND2-O 3.4Å; N492-I564 PolarHBondContact OD1-N 3.34Å; N492-I564 PolarHBondContact OD1-O 3.19Å; V561-I564 HydrophobicContact CG1-CG1 3.95Å
565	K	50.1	Low	37.9	Very low	117 Å²	117	114.5 Å²	114.5	51%	0.509	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-92.5	122	172.2	-71.5	-173.2	175.5	-170.7	0	108.6	A563	A563-K565 PolarHBondContact O-N 3.22Å
566	A	44.8	Very low	38	Very low	12 Å²	12	110.4 Å²	110.4	10%	0.099	55%	0.55	C	S	.	.	P	Polyproline II helix	trans	-56.6	153.6	162	0	0	0	0	0	109.4	W305 H309 R568	W305-A566 HydrophobicContact CH2-CB 3.91Å; W305-A566 HydrophobicContact CZ3-CB 4.14Å; H309-A566 HydrophobicContact CB-CB 3.7Å; A566-R568 PolarHBondContact O-N 3.17Å
567	P	41.7	Very low	38.2	Very low	64 Å²	64	112.7 Å²	112.7	42%	0.416	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-53.7	124.8	164.6	-15.2	28	0	0	0	107.7	L310 I313	L310-P567 HydrophobicContact CD2-CG 4.38Å; I313-P567 HydrophobicContact CD1-CB 4.11Å; I313-P567 WeakPolarHBondContact CD1-O 3.49Å
568	R	42.3	Very low	38.3	Very low	120 Å²	120	115 Å²	115	45%	0.453	55%	0.547	S	S	.	.			trans	-132.4	147.2	178.8	-76.4	-170.6	177	-178.2	0.6	110.8	D500 A566	D500-R568 IonicContact OD2-NH1 3.39Å; D500-R568 PolarHBondContact OD2-NH1 3.17Å; A566-R568 PolarHBondContact O-N 3.17Å
569	Y	37.7	Very low	38.8	Very low	137 Å²	137	116.9 Å²	116.9	54%	0.537	55%	0.547	S	S	.	.			trans	-61.9	156.1	159.8	-79.3	-83.9	0	0	0	110.8	I313 I571 E573	I313-Y569 HydrophobicContact CB-CD2 4.48Å; I313-Y569 HydrophobicContact CB-CE2 4.12Å; I313-Y569 HydrophobicContact CG1-CD2 4.35Å; I313-Y569 HydrophobicContact CG1-CE2 4.45Å; I313-Y569 HydrophobicContact CG2-CD2 4.25Å; I313-Y569 HydrophobicContact CG2-CE2 3.59Å; Y569-I571 PolarHBondContact O-N 3.39Å; Y569-E573 VanDerWaalsContact CD1-OE2 3.3Å; Y569-E573 WeakPolarHBondContact CD1-OE2 3.18Å
570	K	35.6	Very low	38.9	Very low	167 Å²	167	110.8 Å²	110.8	73%	0.726	54%	0.538	S	S	*	.			trans	-60.6	126.2	170.3	-71.2	175.9	178.9	176	0	107.9	Q572 E573	K570-Q572 PolarHBondContact O-N 3.27Å; K570-E573 PolarHBondContact O-N 3.2Å; K570-E573 VanDerWaalsContact O-N 3.14Å
571	I	36	Very low	38.9	Very low	53 Å²	53	108.3 Å²	108.3	27%	0.272	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-50.8	-15.2	179.8	-66.8	163.2	0	0	0	113.9	D500 Y569 E573 L574	D500-I571 HydrophobicContact CB-CD1 3.94Å; D500-I571 VanDerWaalsContact OD1-CD1 3.32Å; D500-I571 WeakPolarHBondContact OD1-CD1 3.48Å; D500-I571 WeakPolarHBondContact OD2-CD1 3.4Å; Y569-I571 PolarHBondContact O-N 3.39Å; I571-E573 PolarHBondContact O-N 3.21Å; I571-L574 PolarHBondContact O-N 3.48Å
572	Q	36.2	Very low	39	Very low	153 Å²	153	107.9 Å²	107.9	72%	0.715	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-53.8	-18.8	170.5	-110.9	173.6	-9.5	0	0	115.3	K570	K570-Q572 PolarHBondContact O-N 3.27Å
573	E	39.3	Very low	38.5	Very low	127 Å²	127	105.7 Å²	105.7	59%	0.593	55%	0.55	S	S	*	.	G	3₁₀ helix	trans	-100.7	-11.4	-176.2	-67.5	177.8	169.4	0	0	114.4	Y569 K570 I571	Y569-E573 VanDerWaalsContact CD1-OE2 3.3Å; Y569-E573 WeakPolarHBondContact CD1-OE2 3.18Å; K570-E573 PolarHBondContact O-N 3.2Å; K570-E573 VanDerWaalsContact O-N 3.14Å; I571-E573 PolarHBondContact O-N 3.21Å
574	L	38.1	Very low	37.8	Very low	153 Å²	153	111 Å²	111	80%	0.801	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	-7.6	179.6	-71.5	171.2	0	0	0	114	I571	I571-L574 PolarHBondContact O-N 3.48Å
575	L	30.8	Very low	37.1	Very low	99 Å²	99	121.9 Å²	121.9	52%	0.518	63%	0.631	S	S	.	*	S	Bend	trans	-84.6	138	168.1	-73.8	165.9	0	0	0	108.7	L504 Q577	L504-L575 HydrophobicContact CD2-CD1 4.37Å; L575-Q577 PolarHBondContact O-N 3.17Å
576	P	35.7	Very low	36.4	Very low	70 Å²	70	122.1 Å²	122.1	46%	0.455	64%	0.637	S	S	.	*			trans	-55.2	118	169.5	21.4	-29.5	0	0	0	108.1	Y578	P576-Y578 HydrophobicContact CG-CE2 3.97Å; P576-Y578 VanDerWaalsContact O-CD2 3.29Å; P576-Y578 WeakPolarHBondContact O-CD2 3.32Å; P576-Y578 PolarHBondContact O-N 3.4Å
577	Q	33.3	Very low	36	Very low	164 Å²	164	127.9 Å²	127.9	77%	0.766	67%	0.665	S	S	*	*			trans	-68.7	98.6	174.1	-71.4	-169.8	-1.4	0	0	108	L575 K579	L575-Q577 PolarHBondContact O-N 3.17Å; Q577-K579 PolarHBondContact O-N 3.47Å; Q577-K579 VanDerWaalsContact O-N 3.07Å
578	Y	36.5	Very low	35.7	Very low	153 Å²	153	131.4 Å²	131.4	60%	0.6	68%	0.679	S	S	*	*			trans	-66.4	106.6	168.3	-67.4	-83.2	0	0	0	108.2	P576 S580	P576-Y578 HydrophobicContact CG-CE2 3.97Å; P576-Y578 VanDerWaalsContact O-CD2 3.29Å; P576-Y578 WeakPolarHBondContact O-CD2 3.32Å; P576-Y578 PolarHBondContact O-N 3.4Å; Y578-S580 PolarHBondContact O-N 3.3Å
579	K	40.1	Very low	35.3	Very low	213 Å²	213	132.1 Å²	132.1	93%	0.926	69%	0.692	S	S	*	*	S	Bend	trans	-65.8	-25.6	165.6	-97.2	-177.6	174.6	177.1	0	111.5	Q577	Q577-K579 PolarHBondContact O-N 3.47Å; Q577-K579 VanDerWaalsContact O-N 3.07Å
580	S	34.5	Very low	35.2	Very low	88 Å²	88	131.8 Å²	131.8	62%	0.615	70%	0.702	S	S	*	*	S	Bend	trans	-167.4	156.5	177.5	37.3	0	0	0	0	109.5	Y578 G582	Y578-S580 PolarHBondContact O-N 3.3Å; S580-G582 PolarHBondContact O-N 3.13Å
581	A	32.1	Very low	35.1	Very low	104 Å²	104	129.5 Å²	129.5	86%	0.86	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	121.2	-179.6	0	0	0	0	0	111.4
582	G	38	Very low	35.1	Very low	69 Å²	69	134.9 Å²	134.9	71%	0.711	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	106.5	12.9	156.4	0	0	0	0	0	119.9	S580	S580-G582 PolarHBondContact O-N 3.13Å
583	V	30.6	Very low	35	Very low	123 Å²	123	133.5 Å²	133.5	75%	0.745	73%	0.732	S	S	*	*			trans	-137.7	121.3	171.6	-171.3	0	0	0	0	111.3
584	L	30.9	Very low	34.6	Very low	132 Å²	132	134.1 Å²	134.1	69%	0.691	74%	0.744	S	S	*	*			trans	-83.8	141.8	173.1	-76	156.8	0	0	0	109.5
585	I	34.9	Very low	34.3	Very low	241 Å²	241	132.4 Å²	132.4	100%	1.236	74%	0.739	S	S	*	*			trans	-79.3	0	170	-63.7	175.7	0	0	0	109.2

Retrieved 585 of 585 residues in 1316.5 ms (Link to these results)

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