A0A096MSL9_PAPAN Loading...

GMP synthase [glutamine-hydrolyzing]

Catalyzes the conversion of xanthine monophosphate (XMP) to GMP in the presence of glutamine and ATP through an adenyl-XMP intermediate.

AlphaFold DB (A0A2K6Q628), UniProt , Accession A0A096MSL9, Species PAPAN (Papio anubis, Olive baboon), Gene GMPS, Length 693 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	30.7	Very low	26.4	Very low	240 Å²	240	152.5 Å²	152.5	100%	1.182	86%	0.863	S	S	*	*				0	120	0	-90.1	-179.5	-178.9	0	0	107.5
2	A	27.2	Very low	26.4	Very low	97 Å²	97	153.4 Å²	153.4	80%	0.802	86%	0.864	S	S	*	*			trans	59.7	149	171.4	0	0	0	0	0	115.8
3	L	27.1	Very low	26.4	Very low	157 Å²	157	149.7 Å²	149.7	82%	0.822	86%	0.864	S	S	*	*			cis	-166.7	155.9	-1	-105	160.1	0	0	0	106.1
4	C	27	Very low	26.4	Very low	101 Å²	101	144.1 Å²	144.1	68%	0.682	86%	0.855	S	S	*	*			trans	10.9	131.5	156.3	-57	0	0	0	0	121.9
5	N	26.6	Very low	26.3	Very low	170 Å²	170	138.7 Å²	138.7	91%	0.909	84%	0.842	S	S	*	*				164.8	140.7	112.6	-88.4	-12.8	0	0	0	112.2
6	G	24.7	Very low	26.3	Very low	74 Å²	74	138.5 Å²	138.5	76%	0.763	83%	0.834	S	S	*	*			trans	162.1	78.6	166.2	0	0	0	0	0	114.9
7	D	25.6	Very low	26.3	Very low	170 Å²	170	140.9 Å²	140.9	91%	0.909	84%	0.84	S	S	*	*			trans	-50.8	141.3	167.5	-71.3	-55.1	0	0	0	113.8
8	S	26	Very low	26.5	Very low	112 Å²	112	141.8 Å²	141.8	78%	0.783	83%	0.832	S	S	*	*			trans	-150.3	97.3	148.9	48.7	0	0	0	0	112.1
9	K	25.5	Very low	26.8	Very low	196 Å²	196	141.2 Å²	141.2	85%	0.852	83%	0.825	S	S	*	*			trans	38	103.1	142.2	-64.8	-177.9	176.8	-178.8	0	118.5	E11	K9-E11 PolarHBondContact O-N 3.32Å
10	L	24.4	Very low	27.2	Very low	179 Å²	179	138.4 Å²	138.4	94%	0.937	83%	0.827	S	S	*	*			trans	-67.6	112.1	147.1	-87.4	133.3	0	0	0	108.7
11	E	25.7	Very low	27.8	Very low	182 Å²	182	137.8 Å²	137.8	85%	0.85	82%	0.815	S	S	*	*			trans	-74.5	123.7	166.9	-80	-176.8	158.5	0	0	109.8	K9 A13	K9-E11 PolarHBondContact O-N 3.32Å; E11-A13 PolarHBondContact O-N 2.6Å; E11-A13 VanDerWaalsContact O-N 3.08Å
12	N	25.9	Very low	28.6	Very low	163 Å²	163	131.4 Å²	131.4	87%	0.872	78%	0.782	S	S	*	*			trans	-55.8	103.9	170.3	-81.9	-31.5	0	0	0	110.8	G14	N12-G14 PolarHBondContact O-N 3.13Å; N12-G14 VanDerWaalsContact O-N 3.14Å
13	A	26.9	Very low	30.5	Very low	105 Å²	105	133.6 Å²	133.6	87%	0.868	78%	0.775	S	S	*	*			trans	-82.3	59.6	154.7	0	0	0	0	0	109.3	E11 G15	E11-A13 PolarHBondContact O-N 2.6Å; E11-A13 VanDerWaalsContact O-N 3.08Å; A13-G15 VanDerWaalsContact C-N 3.34Å; A13-G15 PolarHBondContact O-N 3.1Å
14	G	26.7	Very low	33.1	Very low	72 Å²	72	129.1 Å²	129.1	74%	0.742	75%	0.748	S	S	*	*			trans	-84.8	80.3	166.5	0	0	0	0	0	108.8	N12	N12-G14 PolarHBondContact O-N 3.13Å; N12-G14 VanDerWaalsContact O-N 3.14Å
15	G	24.8	Very low	35.8	Very low	63 Å²	63	130.8 Å²	130.8	65%	0.649	75%	0.746	S	S	*	*			trans	-82.4	122.9	163.4	0	0	0	0	0	108.8	A13 L17	A13-G15 VanDerWaalsContact C-N 3.34Å; A13-G15 PolarHBondContact O-N 3.1Å; G15-L17 PolarHBondContact O-N 2.67Å
16	D	25.6	Very low	38.5	Very low	135 Å²	135	123.4 Å²	123.4	72%	0.722	71%	0.71	S	S	*	*			trans	-44.2	100.6	176.6	-91.1	-41	0	0	0	112.3	K18	D16-K18 HydrophobicContact CB-CG 4.42Å; D16-K18 PolarHBondContact O-N 3.43Å
17	L	27.6	Very low	41.7	Very low	180 Å²	180	119.9 Å²	119.9	94%	0.942	67%	0.674	S	S	*	*			trans	-74.8	80	157.8	-80.3	156.3	0	0	0	107.4	G15	G15-L17 PolarHBondContact O-N 2.67Å
18	K	28.6	Very low	45	Very low	157 Å²	157	111.8 Å²	111.8	68%	0.683	63%	0.63	S	S	*	*			trans	-100.7	130	165.7	-74.8	-177.7	-178.9	168.4	0	109.1	D16	D16-K18 HydrophobicContact CB-CG 4.42Å; D16-K18 PolarHBondContact O-N 3.43Å
19	D	32.4	Very low	48.3	Very low	130 Å²	130	106.4 Å²	106.4	70%	0.695	59%	0.593	S	S	*	*			trans	74.9	97.3	176.6	-59	-22.7	0	0	0	117.6	H21	D19-H21 PolarHBondContact O-N 2.94Å
20	G	34.3	Very low	51.6	Low	84 Å²	84	97.1 Å²	97.1	87%	0.866	55%	0.552	S	S	*	*			trans	-67.6	79.3	165.1	0	0	0	0	0	111.2
21	H	39.8	Very low	54.8	Low	127 Å²	127	88.6 Å²	88.6	59%	0.588	51%	0.508	S	S	*	.			trans	-85.2	112.3	169.6	-75.4	-67.2	0	0	0	109.7	D19 H23	D19-H21 PolarHBondContact O-N 2.94Å; H21-H23 VanDerWaalsContact C-N 3.27Å; H21-H23 WeakPolarHBondContact CB-CE1 3.47Å; H21-H23 VanDerWaalsContact CB-ND1 3.33Å; H21-H23 WeakPolarHBondContact CB-ND1 3.35Å; H21-H23 PolarHBondContact O-N 3.44Å
22	H	47.5	Very low	57.6	Low	106 Å²	106	81.6 Å²	81.6	49%	0.491	48%	0.476	S	S	.	.			trans	-64.3	89.9	162.2	-64.7	-56.2	0	0	0	109	Y24 E25 E66	H22-Y24 PolarHBondContact O-N 3.08Å; H22-E25 HydrophobicContact CB-CG 3.58Å; H22-E25 IonicContact CD2-OE1 3.41Å; H22-E25 PolarHBondContact CD2-OE1 2.98Å; H22-E25 IonicContact CG-OE1 3.84Å; H22-E66 PolarHBondContact ND1-O 2.83Å; H22-E66 VanDerWaalsContact ND1-O 3.14Å
23	H	67.6	Low	59.9	Low	142 Å²	142	74.8 Å²	74.8	66%	0.657	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-17	-173.5	-77.5	-16.7	0	0	0	114.6	H21	H21-H23 VanDerWaalsContact C-N 3.27Å; H21-H23 WeakPolarHBondContact CB-CE1 3.47Å; H21-H23 VanDerWaalsContact CB-ND1 3.33Å; H21-H23 WeakPolarHBondContact CB-ND1 3.35Å; H21-H23 PolarHBondContact O-N 3.44Å
24	Y	82.5	Confident	61.7	Low	63 Å²	63	73.1 Å²	73.1	25%	0.247	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	30.7	-172.7	-66	-70.1	0	0	0	114	H22 G26 A27 E53 Q67 F69	H22-Y24 PolarHBondContact O-N 3.08Å; Y24-G26 PolarHBondContact O-N 3.06Å; Y24-A27 HydrophobicContact CD1-CB 4.33Å; Y24-A27 WeakPolarHBondContact O-CB 3.39Å; Y24-A27 PolarHBondContact O-N 2.67Å; Y24-E53 HydrophobicContact CD1-CG 4.09Å; Y24-E53 HydrophobicContact CE1-CG 3.66Å; Y24-Q67 WeakPolarHBondContact CB-O 3.31Å; Y24-Q67 HydrophobicContact CD2-CB 4.16Å; Y24-Q67 HydrophobicContact CD2-CG 4.49Å; Y24-Q67 PolarHBondContact N-O 3.02Å; Y24-Q67 VanDerWaalsContact N-O 3.16Å; Y24-F69 HydrophobicContact CD1-CE1 4.2Å; Y24-F69 HydrophobicContact CD2-CE1 4.12Å; Y24-F69 HydrophobicContact CD2-CE2 4.44Å; Y24-F69 AromaticContact CD2-CZ 3.79Å; Y24-F69 HydrophobicContact CD2-CZ 3.79Å; Y24-F69 HydrophobicContact CE2-CZ 4.33Å; Y24-F69 HydrophobicContact CG-CD1 4.48Å; Y24-F69 AromaticContact CG-CE1 3.74Å; Y24-F69 HydrophobicContact CG-CE1 3.74Å; Y24-F69 AromaticContact CG-CZ 3.91Å; Y24-F69 HydrophobicContact CG-CZ 3.91Å
25	E	83	Confident	63.2	Low	136 Å²	136	70.4 Å²	70.4	64%	0.636	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	122.3	173.8	-75.8	-167.1	168.2	0	0	111.6	H22	H22-E25 HydrophobicContact CB-CG 3.58Å; H22-E25 IonicContact CD2-OE1 3.41Å; H22-E25 PolarHBondContact CD2-OE1 2.98Å; H22-E25 IonicContact CG-OE1 3.84Å
26	G	82.7	Confident	65.1	Low	15 Å²	15	74 Å²	74	16%	0.155	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.1	-11.5	-177.6	0	0	0	0	0	115	Y24	Y24-G26 PolarHBondContact O-N 3.06Å
27	A	92.1	Very high	67.4	Low	0 Å²	0	70.2 Å²	70.2	0%	0	38%	0.382	C	S	.	.			trans	-86.3	166	179.3	0	0	0	0	0	113.1	Y24 Q51 F69 R70	Y24-A27 HydrophobicContact CD1-CB 4.33Å; Y24-A27 WeakPolarHBondContact O-CB 3.39Å; Y24-A27 PolarHBondContact O-N 2.67Å; A27-Q51 CarbonylContact C-O 3.47Å; A27-Q51 WeakPolarHBondContact CA-O 3.44Å; A27-Q51 HydrophobicContact CB-CB 3.75Å; A27-Q51 HydrophobicContact CB-CG 3.83Å; A27-F69 HydrophobicContact CB-CD1 4.04Å; A27-F69 HydrophobicContact CB-CE1 4.24Å; A27-F69 CarbonylContact O-C 3.56Å; A27-R70 PolarHBondContact O-N 3.31Å
28	V	95.1	Very high	70	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	142	177.1	174.8	0	0	0	0	109.7	V50 Q51 S52 E53 A71 I73 L207	V28-V50 HydrophobicContact CG2-CG1 3.85Å; V28-Q51 PolarHBondContact N-O 3.31Å; V28-S52 VanDerWaalsContact O-CA 3.3Å; V28-S52 WeakPolarHBondContact O-CA 3.32Å; V28-E53 PolarHBondContact O-N 3.33Å; V28-A71 HydrophobicContact CG2-CB 4.29Å; V28-I73 HydrophobicContact CG1-CD1 3.92Å; V28-I73 HydrophobicContact CG1-CG1 3.92Å; V28-L207 HydrophobicContact CB-CD2 4.44Å; V28-L207 HydrophobicContact CG1-CD2 4.4Å; V28-L207 HydrophobicContact CG2-CD2 3.7Å
29	V	95.4	Very high	72.3	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	135.1	173.9	62.9	0	0	0	0	110.1	L31 E53 F55 I64 F69 A71 I72 I73	V29-L31 HydrophobicContact CG2-CD2 3.97Å; V29-E53 CarbonylContact C-O 3.42Å; V29-E53 WeakPolarHBondContact CA-O 3.22Å; V29-F55 HydrophobicContact CG2-CB 3.81Å; V29-F55 HydrophobicContact CG2-CD2 3.98Å; V29-F55 HydrophobicContact CG2-CG 3.96Å; V29-I64 HydrophobicContact CG1-CG2 3.89Å; V29-F69 HydrophobicContact CB-CB 4.46Å; V29-F69 HydrophobicContact CB-CD1 3.9Å; V29-F69 HydrophobicContact CB-CD2 3.89Å; V29-F69 HydrophobicContact CB-CE1 4.04Å; V29-F69 HydrophobicContact CB-CE2 4.01Å; V29-F69 HydrophobicContact CB-CG 3.82Å; V29-F69 HydrophobicContact CB-CZ 4.1Å; V29-F69 HydrophobicContact CG1-CB 4.22Å; V29-F69 HydrophobicContact CG1-CD2 4.11Å; V29-F69 HydrophobicContact CG1-CG 4.05Å; V29-F69 HydrophobicContact CG2-CE2 4.27Å; V29-F69 HydrophobicContact CG2-CZ 4.38Å; V29-A71 PolarHBondContact N-O 2.9Å; V29-A71 VanDerWaalsContact N-O 3.09Å; V29-I72 HydrophobicContact CG1-CB 4.17Å; V29-I72 HydrophobicContact CG1-CG1 3.81Å; V29-I72 HydrophobicContact CG1-CG2 4.14Å; V29-I72 CarbonylContact O-C 3.42Å; V29-I72 WeakPolarHBondContact O-CA 3.31Å; V29-I73 PolarHBondContact O-N 3.43Å
30	I	94.6	Very high	74.7	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.6	174.7	-59.1	166.4	0	0	0	107.9	I41 D42 S52 E53 I54 F55 I73	I30-I41 HydrophobicContact CD1-CB 3.99Å; I30-I41 HydrophobicContact CD1-CG2 3.56Å; I30-I41 HydrophobicContact CG1-CG2 3.94Å; I30-I41 HydrophobicContact CG2-CG2 4.36Å; I30-D42 VanDerWaalsContact CD1-CA 3.46Å; I30-D42 HydrophobicContact CD1-CB 3.86Å; I30-D42 VanDerWaalsContact CD1-N 3.31Å; I30-S52 WeakPolarHBondContact CD1-OG 3.21Å; I30-S52 WeakPolarHBondContact CG1-OG 3.2Å; I30-E53 PolarHBondContact N-O 2.95Å; I30-I54 HydrophobicContact CB-CG1 4.48Å; I30-I54 HydrophobicContact CD1-CG1 4.5Å; I30-I54 WeakPolarHBondContact O-CA 3.39Å; I30-F55 PolarHBondContact O-N 2.79Å; I30-I73 CarbonylContact C-O 3.58Å; I30-I73 VanDerWaalsContact CA-O 3.28Å; I30-I73 WeakPolarHBondContact CA-O 3.46Å; I30-I73 HydrophobicContact CG1-CB 4.32Å
31	L	92.2	Very high	77.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	117.7	173.3	-55.1	-178.1	0	0	0	108.9	V29 F55 L57 I64 I72 I73 I74 S75 I93	V29-L31 HydrophobicContact CG2-CD2 3.97Å; L31-F55 HydrophobicContact CD2-CB 3.73Å; L31-L57 HydrophobicContact CB-CD1 3.99Å; L31-I64 HydrophobicContact CD1-CD1 4.14Å; L31-I64 HydrophobicContact CD2-CD1 4.3Å; L31-I72 HydrophobicContact CD1-CG2 3.89Å; L31-I72 HydrophobicContact CG-CG2 4.07Å; L31-I73 PolarHBondContact N-O 2.88Å; L31-I74 HydrophobicContact CB-CG1 4.31Å; L31-I74 HydrophobicContact CB-CG2 4.46Å; L31-I74 HydrophobicContact CD1-CG1 4.28Å; L31-I74 WeakPolarHBondContact O-CA 3.45Å; L31-S75 PolarHBondContact O-N 2.78Å; L31-I93 HydrophobicContact CD1-CD1 3.96Å; L31-I93 HydrophobicContact CD1-CG2 4.46Å
32	D	84.2	Confident	79.6	Confident	35 Å²	35	43.5 Å²	43.5	19%	0.187	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	117.2	-176.7	-165.2	-14.5	0	0	0	111	G34 A35 G38 I54 F55	D32-G34 PolarHBondContact O-N 3.36Å; D32-G34 PolarHBondContact OD1-N 3.43Å; D32-A35 PolarHBondContact OD1-N 2.7Å; D32-A35 VanDerWaalsContact OD2-O 3.06Å; D32-G38 VanDerWaalsContact OD2-CA 3.24Å; D32-G38 WeakPolarHBondContact OD2-CA 3.19Å; D32-G38 PolarHBondContact OD2-N 3.48Å; D32-I54 HydrophobicContact CB-CG2 4.39Å; D32-F55 PolarHBondContact N-O 3.14Å
33	A	74.4	Confident	81.3	Confident	21 Å²	21	42 Å²	42	17%	0.174	22%	0.22	C	C	.	.	S	Bend	trans	-81.2	17.5	177.3	0	0	0	0	0	113.8	L57 S75 P87 Y105	A33-L57 HydrophobicContact CB-CD1 4.16Å; A33-L57 HydrophobicContact CB-CD2 3.6Å; A33-L57 HydrophobicContact CB-CG 4.35Å; A33-S75 WeakPolarHBondContact CB-O 3.29Å; A33-S75 PolarHBondContact N-O 2.79Å; A33-P87 HydrophobicContact CB-CG 4.24Å; A33-Y105 HydrophobicContact CB-CD1 3.67Å; A33-Y105 HydrophobicContact CB-CE1 3.87Å
34	G	65.5	Low	82.4	Confident	70 Å²	70	37.4 Å²	37.4	72%	0.722	20%	0.197	S	C	*	.	S	Bend	trans	99.4	26	-179.7	0	0	0	0	0	113.9	D32	D32-G34 PolarHBondContact O-N 3.36Å; D32-G34 PolarHBondContact OD1-N 3.43Å
35	A	58.5	Low	82.8	Confident	15 Å²	15	34.4 Å²	34.4	12%	0.124	19%	0.185	C	C	.	.			trans	-83.6	155.9	171.8	0	0	0	0	0	112.2	D32 Y37	D32-A35 PolarHBondContact OD1-N 2.7Å; D32-A35 VanDerWaalsContact OD2-O 3.06Å; A35-Y37 HydrophobicContact CB-CD2 3.72Å; A35-Y37 HydrophobicContact CB-CG 4.28Å; A35-Y37 PolarHBondContact O-N 3.25Å; A35-Y37 VanDerWaalsContact O-N 3.15Å
36	Q	64.2	Low	83	Confident	137 Å²	137	28.2 Å²	28.2	64%	0.64	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-9.7	163.1	-169.4	176.3	-11.1	0	0	112.2
37	Y	74.3	Confident	83.1	Confident	56 Å²	56	30.2 Å²	30.2	22%	0.22	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-21	-166	-60.2	-61.8	0	0	0	115.4	A35 K39 V40 I41 H190 E192 V193	A35-Y37 HydrophobicContact CB-CD2 3.72Å; A35-Y37 HydrophobicContact CB-CG 4.28Å; A35-Y37 PolarHBondContact O-N 3.25Å; A35-Y37 VanDerWaalsContact O-N 3.15Å; Y37-K39 PolarHBondContact O-N 3.35Å; Y37-V40 WeakPolarHBondContact O-CA 3.44Å; Y37-V40 WeakPolarHBondContact O-CB 3.44Å; Y37-V40 PolarHBondContact O-N 3.06Å; Y37-I41 WeakPolarHBondContact O-CG1 2.97Å; Y37-I41 PolarHBondContact O-N 2.93Å; Y37-H190 AromaticContact CD1-ND1 3.97Å; Y37-H190 AromaticContact CD2-CE1 3.27Å; Y37-H190 WeakPolarHBondContact CD2-CE1 3.4Å; Y37-H190 AromaticContact CD2-ND1 3.62Å; Y37-H190 AromaticContact CE2-CE1 3.32Å; Y37-H190 WeakPolarHBondContact CE2-CE1 3.34Å; Y37-H190 AromaticContact CE2-ND1 3.8Å; Y37-H190 AromaticContact CE2-NE2 3.85Å; Y37-H190 AromaticContact CG-CE1 3.87Å; Y37-H190 AromaticContact CG-ND1 3.74Å; Y37-H190 AromaticContact CZ-CE1 3.93Å; Y37-E192 WeakPolarHBondContact CB-OE1 3.18Å; Y37-V193 HydrophobicContact CD1-CG1 4.5Å; Y37-V193 HydrophobicContact CE1-CG1 4.27Å
38	G	81.9	Confident	83.1	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-55.7	-39.9	-179.4	0	0	0	0	0	113.1	D32 V40 I41 D42	D32-G38 VanDerWaalsContact OD2-CA 3.24Å; D32-G38 WeakPolarHBondContact OD2-CA 3.19Å; D32-G38 PolarHBondContact OD2-N 3.48Å; G38-V40 PolarHBondContact O-N 2.87Å; G38-I41 PolarHBondContact O-N 3.06Å; G38-D42 PolarHBondContact O-N 2.87Å
39	K	77.1	Confident	82.9	Confident	77 Å²	77	35.8 Å²	35.8	34%	0.335	19%	0.186	S	C	.	.	H	α-helix	trans	-65.5	-35.3	173.9	-68.1	-176.3	177.6	-179.9	0	113.2	Y37 R43 I54 I374	Y37-K39 PolarHBondContact O-N 3.35Å; K39-R43 WeakPolarHBondContact O-CB 3.43Å; K39-R43 PolarHBondContact O-N 2.9Å; K39-R43 VanDerWaalsContact O-N 3.12Å; K39-I54 HydrophobicContact CG-CD1 4.47Å; K39-I374 HydrophobicContact CD-CG2 4.39Å; K39-I374 HydrophobicContact CG-CG2 4.38Å
40	V	82.9	Confident	82.7	Confident	41 Å²	41	36 Å²	36	25%	0.248	19%	0.188	C	C	.	.	H	α-helix	trans	-71.9	-40.7	179.4	-173.5	0	0	0	0	110	Y37 G38 R43 R44 E192	Y37-V40 WeakPolarHBondContact O-CA 3.44Å; Y37-V40 WeakPolarHBondContact O-CB 3.44Å; Y37-V40 PolarHBondContact O-N 3.06Å; G38-V40 PolarHBondContact O-N 2.87Å; V40-R43 PolarHBondContact O-N 3.49Å; V40-R44 WeakPolarHBondContact O-CG 3.46Å; V40-R44 PolarHBondContact O-N 3.07Å; V40-E192 HydrophobicContact CB-CG 4.05Å; V40-E192 HydrophobicContact CG1-CB 4.03Å; V40-E192 HydrophobicContact CG1-CG 3.75Å; V40-E192 WeakPolarHBondContact CG1-O 3.22Å
41	I	89.1	Confident	82.5	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.1	-49.3	174.9	-61.2	166.3	0	0	0	110.1	I30 Y37 G38 R43 R44 V45 I73 I103 E192	I30-I41 HydrophobicContact CD1-CB 3.99Å; I30-I41 HydrophobicContact CD1-CG2 3.56Å; I30-I41 HydrophobicContact CG1-CG2 3.94Å; I30-I41 HydrophobicContact CG2-CG2 4.36Å; Y37-I41 WeakPolarHBondContact O-CG1 2.97Å; Y37-I41 PolarHBondContact O-N 2.93Å; G38-I41 PolarHBondContact O-N 3.06Å; I41-R43 PolarHBondContact O-N 3.11Å; I41-R44 PolarHBondContact O-N 3.28Å; I41-V45 HydrophobicContact CG2-CG2 4.12Å; I41-V45 VanDerWaalsContact O-CG2 3.3Å; I41-V45 WeakPolarHBondContact O-CG2 3.46Å; I41-V45 PolarHBondContact O-N 2.93Å; I41-I73 HydrophobicContact CD1-CG2 4.29Å; I41-I73 HydrophobicContact CG2-CB 4.46Å; I41-I73 HydrophobicContact CG2-CD1 3.94Å; I41-I73 HydrophobicContact CG2-CG2 3.92Å; I41-I103 HydrophobicContact CD1-CD1 3.86Å; I41-I103 HydrophobicContact CG1-CD1 4.33Å; I41-E192 HydrophobicContact CG1-CB 3.82Å; I41-E192 HydrophobicContact CG1-CG 3.68Å
42	D	87.6	Confident	82.5	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-52.5	-46.7	176.3	174.7	72	0	0	0	111	I30 G38 R44 V45 R46 S52 I54 R370 H415	I30-D42 VanDerWaalsContact CD1-CA 3.46Å; I30-D42 HydrophobicContact CD1-CB 3.86Å; I30-D42 VanDerWaalsContact CD1-N 3.31Å; G38-D42 PolarHBondContact O-N 2.87Å; D42-R44 PolarHBondContact O-N 2.82Å; D42-V45 PolarHBondContact O-N 3.07Å; D42-R46 WeakPolarHBondContact O-CB 3.45Å; D42-R46 VanDerWaalsContact O-CG 3.27Å; D42-R46 WeakPolarHBondContact O-CG 3.39Å; D42-R46 PolarHBondContact O-N 3.37Å; D42-R46 IonicContact OD1-NE 3.62Å; D42-R46 WeakPolarHBondContact OD2-CD 3.39Å; D42-R46 IonicContact OD2-NE 3.12Å; D42-S52 WeakPolarHBondContact OD1-CB 3.15Å; D42-I54 HydrophobicContact CB-CD1 3.96Å; D42-I54 HydrophobicContact CB-CG1 4.16Å; D42-R370 IonicContact OD1-NH1 2.84Å; D42-R370 PolarHBondContact OD1-NH1 2.85Å; D42-R370 IonicContact OD2-NH1 3.74Å; D42-R370 PolarHBondContact OD2-NH1 3Å; D42-H415 IonicContact OD2-CE1 3.52Å; D42-H415 PolarHBondContact OD2-CE1 3.31Å; D42-H415 IonicContact OD2-NE2 3.63Å; D42-H415 PolarHBondContact OD2-NE2 3.07Å
43	R	83.6	Confident	82.7	Confident	74 Å²	74	38.2 Å²	38.2	28%	0.279	20%	0.197	S	C	.	.	H	α-helix	trans	-60.1	-47.1	177.1	-174.4	179.2	-178.7	174.8	7.5	112.4	K39 V40 I41 R46 E47 D417	K39-R43 WeakPolarHBondContact O-CB 3.43Å; K39-R43 PolarHBondContact O-N 2.9Å; K39-R43 VanDerWaalsContact O-N 3.12Å; V40-R43 PolarHBondContact O-N 3.49Å; I41-R43 PolarHBondContact O-N 3.11Å; R43-R46 PolarHBondContact O-N 3.36Å; R43-E47 IonicContact NE-OE1 2.78Å; R43-E47 PolarHBondContact NE-OE1 2.89Å; R43-E47 WeakPolarHBondContact O-CG 3.4Å; R43-E47 PolarHBondContact O-N 3.34Å; R43-D417 IonicContact CZ-OD2 2.69Å; R43-D417 IonicContact NE-OD2 3.41Å; R43-D417 IonicContact NH2-OD2 3.73Å; R43-D417 PolarHBondContact NH2-OD2 3.13Å
44	R	88.8	Confident	83.3	Confident	46 Å²	46	39.5 Å²	39.5	17%	0.174	20%	0.2	C	C	.	.	H	α-helix	trans	-66.9	-38.7	-179.4	-69.6	-66.4	102.2	78	-1	112.9	V40 I41 D42 R46 E47 L48 E192 L203	V40-R44 WeakPolarHBondContact O-CG 3.46Å; V40-R44 PolarHBondContact O-N 3.07Å; I41-R44 PolarHBondContact O-N 3.28Å; D42-R44 PolarHBondContact O-N 2.82Å; R44-R46 VanDerWaalsContact C-N 3.31Å; R44-E47 IonicContact CZ-OE1 3.75Å; R44-E47 IonicContact CZ-OE2 3.29Å; R44-E47 VanDerWaalsContact NE-CD 3.28Å; R44-E47 IonicContact NE-OE1 2.71Å; R44-E47 PolarHBondContact NE-OE1 2.88Å; R44-E47 IonicContact NE-OE2 2.66Å; R44-E47 PolarHBondContact NE-OE2 3.48Å; R44-E47 IonicContact NH2-OE1 2.69Å; R44-E47 PolarHBondContact NH2-OE1 3.32Å; R44-E47 IonicContact NH2-OE2 3.8Å; R44-E47 PolarHBondContact O-N 3.41Å; R44-L48 WeakPolarHBondContact O-CG 3.22Å; R44-L48 PolarHBondContact O-N 3.36Å; R44-E192 WeakPolarHBondContact CD-O 3.35Å; R44-E192 HydrophobicContact CG-CB 4Å; R44-E192 WeakPolarHBondContact CG-O 3.44Å; R44-E192 PolarHBondContact NH1-O 2.93Å; R44-L203 HydrophobicContact CB-CD1 3.56Å; R44-L203 HydrophobicContact CG-CD1 4.14Å
45	V	91.8	Very high	84.4	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.4	-40.9	175.9	175.7	0	0	0	0	110.3	I41 D42 L48 F49 V50 I73 L207	I41-V45 HydrophobicContact CG2-CG2 4.12Å; I41-V45 VanDerWaalsContact O-CG2 3.3Å; I41-V45 WeakPolarHBondContact O-CG2 3.46Å; I41-V45 PolarHBondContact O-N 2.93Å; D42-V45 PolarHBondContact O-N 3.07Å; V45-L48 CarbonylContact O-C 3.15Å; V45-L48 WeakPolarHBondContact O-CA 3.42Å; V45-L48 WeakPolarHBondContact O-CB 3.33Å; V45-L48 PolarHBondContact O-N 3.39Å; V45-L48 VanDerWaalsContact O-N 3.13Å; V45-F49 PolarHBondContact O-N 3.47Å; V45-V50 HydrophobicContact CG1-CB 3.81Å; V45-V50 HydrophobicContact CG1-CG1 4.01Å; V45-V50 PolarHBondContact O-N 2.95Å; V45-I73 HydrophobicContact CG2-CD1 3.81Å; V45-L207 HydrophobicContact CB-CD1 4.29Å; V45-L207 HydrophobicContact CG1-CD1 3.96Å; V45-L207 HydrophobicContact CG1-CD2 4.04Å; V45-L207 HydrophobicContact CG2-CD1 4.16Å; V45-L207 HydrophobicContact CG2-CD2 4.38Å
46	R	86.6	Confident	85.8	Confident	5 Å²	5	40 Å²	40	2%	0.019	19%	0.185	C	C	.	.	H	α-helix	trans	-69.8	-36.5	176.3	-73.4	172.3	155.5	-110.4	0.6	113.8	D42 R43 R44 L48 F49 F217 R222 R370 D413 H415 E418	D42-R46 WeakPolarHBondContact O-CB 3.45Å; D42-R46 VanDerWaalsContact O-CG 3.27Å; D42-R46 WeakPolarHBondContact O-CG 3.39Å; D42-R46 PolarHBondContact O-N 3.37Å; D42-R46 IonicContact OD1-NE 3.62Å; D42-R46 WeakPolarHBondContact OD2-CD 3.39Å; D42-R46 IonicContact OD2-NE 3.12Å; R43-R46 PolarHBondContact O-N 3.36Å; R44-R46 VanDerWaalsContact C-N 3.31Å; R46-L48 PolarHBondContact O-N 3.17Å; R46-F49 WeakPolarHBondContact O-CA 3.47Å; R46-F49 PolarHBondContact O-N 2.91Å; R46-F217 HydrophobicContact CG-CD1 4.28Å; R46-F217 HydrophobicContact CG-CE1 3.99Å; R46-R222 VanDerWaalsContact NH1-NH2 3.19Å; R46-R370 VanDerWaalsContact CZ-NH1 3.31Å; R46-D413 PolarHBondContact NH1-O 2.89Å; R46-D413 PolarHBondContact NH2-O 2.71Å; R46-H415 WeakPolarHBondContact CD-NE2 3.47Å; R46-E418 IonicContact NH1-OE1 3.82Å; R46-E418 IonicContact NH1-OE2 2.92Å
47	E	85.7	Confident	86.9	Confident	57 Å²	57	33.5 Å²	33.5	27%	0.266	16%	0.155	S	C	.	.	H	α-helix	trans	-62.9	-17.8	170.2	-76.7	173.1	-163.1	0	0	113.2	R43 R44	R43-E47 IonicContact NE-OE1 2.78Å; R43-E47 PolarHBondContact NE-OE1 2.89Å; R43-E47 WeakPolarHBondContact O-CG 3.4Å; R43-E47 PolarHBondContact O-N 3.34Å; R44-E47 IonicContact CZ-OE1 3.75Å; R44-E47 IonicContact CZ-OE2 3.29Å; R44-E47 VanDerWaalsContact NE-CD 3.28Å; R44-E47 IonicContact NE-OE1 2.71Å; R44-E47 PolarHBondContact NE-OE1 2.88Å; R44-E47 IonicContact NE-OE2 2.66Å; R44-E47 PolarHBondContact NE-OE2 3.48Å; R44-E47 IonicContact NH2-OE1 2.69Å; R44-E47 PolarHBondContact NH2-OE1 3.32Å; R44-E47 IonicContact NH2-OE2 3.8Å; R44-E47 PolarHBondContact O-N 3.41Å
48	L	91.1	Very high	87.6	Confident	13 Å²	13	35.3 Å²	35.3	7%	0.068	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	17.4	170.9	-67.6	171.1	0	0	0	111.7	R44 V45 R46 V50 K200 L203 K204 L207 Y208	R44-L48 WeakPolarHBondContact O-CG 3.22Å; R44-L48 PolarHBondContact O-N 3.36Å; V45-L48 CarbonylContact O-C 3.15Å; V45-L48 WeakPolarHBondContact O-CA 3.42Å; V45-L48 WeakPolarHBondContact O-CB 3.33Å; V45-L48 PolarHBondContact O-N 3.39Å; V45-L48 VanDerWaalsContact O-N 3.13Å; R46-L48 PolarHBondContact O-N 3.17Å; L48-V50 VanDerWaalsContact C-N 3.25Å; L48-V50 PolarHBondContact O-N 3.48Å; L48-K200 HydrophobicContact CD2-CD 4.48Å; L48-K200 HydrophobicContact CD2-CG 4.02Å; L48-K200 HydrophobicContact CG-CG 4.46Å; L48-L203 HydrophobicContact CD1-CB 3.76Å; L48-K204 HydrophobicContact CD1-CB 4.23Å; L48-K204 HydrophobicContact CD2-CB 4.15Å; L48-K204 HydrophobicContact CD2-CG 4.36Å; L48-L207 HydrophobicContact CB-CD1 4.08Å; L48-L207 HydrophobicContact CD1-CD1 3.74Å; L48-Y208 HydrophobicContact CB-CE2 4.38Å; L48-Y208 PolarHBondContact O-OH 3.21Å
49	F	91.3	Very high	88	Confident	105 Å²	105	36 Å²	36	46%	0.461	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	29.9	173.7	-42.9	-64	0	0	0	114.8	V45 R46 G215 T216 F217 T218	V45-F49 PolarHBondContact O-N 3.47Å; R46-F49 WeakPolarHBondContact O-CA 3.47Å; R46-F49 PolarHBondContact O-N 2.91Å; F49-G215 WeakPolarHBondContact CB-O 3.35Å; F49-G215 CarbonylContact O-C 3.57Å; F49-G215 WeakPolarHBondContact O-CA 3.4Å; F49-T216 PolarHBondContact O-N 3.31Å; F49-F217 WeakPolarHBondContact O-CA 3.28Å; F49-F217 WeakPolarHBondContact O-CB 3.2Å; F49-F217 PolarHBondContact O-N 2.94Å; F49-T218 HydrophobicContact CB-CG2 4.31Å; F49-T218 HydrophobicContact CD1-CG2 4.13Å; F49-T218 HydrophobicContact CG-CG2 4.27Å
50	V	91.9	Very high	88.8	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.024	18%	0.175	C	C	.	.			trans	-111.9	137	174.1	179.9	0	0	0	0	109.6	V28 V45 L48 L207 Y208 C213	V28-V50 HydrophobicContact CG2-CG1 3.85Å; V45-V50 HydrophobicContact CG1-CB 3.81Å; V45-V50 HydrophobicContact CG1-CG1 4.01Å; V45-V50 PolarHBondContact O-N 2.95Å; L48-V50 VanDerWaalsContact C-N 3.25Å; L48-V50 PolarHBondContact O-N 3.48Å; V50-L207 HydrophobicContact CG1-CD2 4.4Å; V50-L207 HydrophobicContact CG2-CB 4.31Å; V50-L207 HydrophobicContact CG2-CD1 4.38Å; V50-Y208 HydrophobicContact CG2-CE2 4.34Å; V50-C213 HydrophobicContact CB-CB 4.48Å; V50-C213 HydrophobicContact CG1-CB 3.97Å; V50-C213 HydrophobicContact CG2-CB 3.6Å
51	Q	90.7	Very high	89.2	Confident	53 Å²	53	33.8 Å²	33.8	25%	0.248	16%	0.164	C	C	.	.			trans	-68.5	137.1	176	-175.2	175.4	0.2	0	0	109.7	A27 V28 F217	A27-Q51 CarbonylContact C-O 3.47Å; A27-Q51 WeakPolarHBondContact CA-O 3.44Å; A27-Q51 HydrophobicContact CB-CB 3.75Å; A27-Q51 HydrophobicContact CB-CG 3.83Å; V28-Q51 PolarHBondContact N-O 3.31Å; Q51-F217 HydrophobicContact CB-CB 4.25Å; Q51-F217 HydrophobicContact CB-CD1 4.39Å; Q51-F217 HydrophobicContact CB-CD2 3.5Å; Q51-F217 VanDerWaalsContact CB-CD2 3.5Å; Q51-F217 HydrophobicContact CB-CE2 3.83Å; Q51-F217 HydrophobicContact CB-CG 3.8Å; Q51-F217 HydrophobicContact CB-CZ 4.41Å; Q51-F217 HydrophobicContact CG-CD2 3.87Å; Q51-F217 HydrophobicContact CG-CE2 3.64Å; Q51-F217 HydrophobicContact CG-CZ 4.12Å
52	S	90.8	Very high	89.4	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	138.8	-179	-160.3	0	0	0	0	112.3	V28 I30 D42 R370	V28-S52 VanDerWaalsContact O-CA 3.3Å; V28-S52 WeakPolarHBondContact O-CA 3.32Å; I30-S52 WeakPolarHBondContact CD1-OG 3.21Å; I30-S52 WeakPolarHBondContact CG1-OG 3.2Å; D42-S52 WeakPolarHBondContact OD1-CB 3.15Å; S52-R370 PolarHBondContact O-NH1 3.1Å; S52-R370 PolarHBondContact O-NH2 3.18Å
53	E	89.1	Confident	89.5	Confident	28 Å²	28	41.9 Å²	41.9	13%	0.131	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138	177.6	-65.6	-53.4	129.4	0	0	110.8	Y24 V28 V29 I30 F55 F69 R370	Y24-E53 HydrophobicContact CD1-CG 4.09Å; Y24-E53 HydrophobicContact CE1-CG 3.66Å; V28-E53 PolarHBondContact O-N 3.33Å; V29-E53 CarbonylContact C-O 3.42Å; V29-E53 WeakPolarHBondContact CA-O 3.22Å; I30-E53 PolarHBondContact N-O 2.95Å; E53-F55 HydrophobicContact CB-CD2 4.06Å; E53-F55 HydrophobicContact CB-CE2 3.89Å; E53-F69 HydrophobicContact CB-CE1 4.11Å; E53-F69 HydrophobicContact CB-CZ 4.22Å; E53-F69 HydrophobicContact CG-CE1 4.17Å; E53-F69 HydrophobicContact CG-CZ 4.42Å; E53-R370 IonicContact OE1-NH2 3.61Å; E53-R370 PolarHBondContact OE1-NH2 2.77Å; E53-R370 IonicContact OE2-NH2 2.91Å; E53-R370 PolarHBondContact OE2-NH2 3.06Å
54	I	87.5	Confident	89.9	Confident	49 Å²	49	38.4 Å²	38.4	25%	0.251	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124	178.1	-55	173.4	0	0	0	108.3	I30 D32 K39 D42 I374	I30-I54 HydrophobicContact CB-CG1 4.48Å; I30-I54 HydrophobicContact CD1-CG1 4.5Å; I30-I54 WeakPolarHBondContact O-CA 3.39Å; D32-I54 HydrophobicContact CB-CG2 4.39Å; K39-I54 HydrophobicContact CG-CD1 4.47Å; D42-I54 HydrophobicContact CB-CD1 3.96Å; D42-I54 HydrophobicContact CB-CG1 4.16Å; I54-I374 HydrophobicContact CD1-CD1 4.32Å
55	F	88.7	Confident	90	Very high	43 Å²	43	41.7 Å²	41.7	19%	0.189	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	153.3	-178.4	-91	-118.2	0	0	0	111	V29 I30 L31 D32 E53 T59 F69	V29-F55 HydrophobicContact CG2-CB 3.81Å; V29-F55 HydrophobicContact CG2-CD2 3.98Å; V29-F55 HydrophobicContact CG2-CG 3.96Å; I30-F55 PolarHBondContact O-N 2.79Å; L31-F55 HydrophobicContact CD2-CB 3.73Å; D32-F55 PolarHBondContact N-O 3.14Å; E53-F55 HydrophobicContact CB-CD2 4.06Å; E53-F55 HydrophobicContact CB-CE2 3.89Å; F55-T59 HydrophobicContact CD1-CG2 3.72Å; F55-T59 HydrophobicContact CE1-CG2 4.39Å; F55-F69 HydrophobicContact CE2-CZ 4.17Å; F55-F69 HydrophobicContact CZ-CZ 4.44Å
56	P	87.4	Confident	90	Very high	51 Å²	51	46.8 Å²	46.8	33%	0.331	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	148.6	172.9	-20.4	32.3	0	0	0	111.9	E58 T59	P56-E58 HydrophobicContact CB-CG 4.08Å; P56-E58 WeakPolarHBondContact CB-OE1 3.43Å; P56-E58 VanDerWaalsContact CB-OE2 3.22Å; P56-E58 WeakPolarHBondContact CB-OE2 3.47Å; P56-E58 PolarHBondContact O-N 3.4Å; P56-T59 VanDerWaalsContact O-CB 3.31Å; P56-T59 WeakPolarHBondContact O-CB 3.48Å; P56-T59 PolarHBondContact O-N 3.22Å; P56-T59 VanDerWaalsContact O-N 3.08Å; P56-T59 PolarHBondContact O-OG1 3.41Å
57	L	87.8	Confident	90.1	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-31.5	-177.9	-168.8	70	0	0	0	112.8	L31 A33 T59 I74 P87 F89 M109	L31-L57 HydrophobicContact CB-CD1 3.99Å; A33-L57 HydrophobicContact CB-CD1 4.16Å; A33-L57 HydrophobicContact CB-CD2 3.6Å; A33-L57 HydrophobicContact CB-CG 4.35Å; L57-T59 PolarHBondContact O-N 2.91Å; L57-I74 HydrophobicContact CD1-CG2 3.91Å; L57-P87 HydrophobicContact CD2-CB 3.92Å; L57-P87 HydrophobicContact CD2-CG 3.72Å; L57-F89 HydrophobicContact CD2-CB 4.16Å; L57-F89 HydrophobicContact CG-CB 3.89Å; L57-M109 HydrophobicContact CD1-CE 3.86Å; L57-M109 HydrophobicContact CD1-SD 4.26Å; L57-M109 HydrophobicContact CD2-CE 3.93Å; L57-M109 HydrophobicContact CD2-SD 4.43Å; L57-M109 HydrophobicContact CG-CE 4.15Å
58	E	88.6	Confident	90.3	Very high	94 Å²	94	47.1 Å²	47.1	44%	0.439	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	0.2	178.4	64.9	-91.1	-149.9	0	0	114.2	P56 P60 W88	P56-E58 HydrophobicContact CB-CG 4.08Å; P56-E58 WeakPolarHBondContact CB-OE1 3.43Å; P56-E58 VanDerWaalsContact CB-OE2 3.22Å; P56-E58 WeakPolarHBondContact CB-OE2 3.47Å; P56-E58 PolarHBondContact O-N 3.4Å; E58-P60 WeakPolarHBondContact O-CD 3.46Å; E58-W88 HydrophobicContact CB-CE3 3.71Å; E58-W88 HydrophobicContact CB-CZ3 3.97Å
59	T	90.3	Very high	90.5	Very high	13 Å²	13	46.5 Å²	46.5	8%	0.08	23%	0.234	C	C	.	.			trans	-57.9	124.7	-179	-59.9	0	0	0	0	110.8	F55 P56 L57 A63 I64	F55-T59 HydrophobicContact CD1-CG2 3.72Å; F55-T59 HydrophobicContact CE1-CG2 4.39Å; P56-T59 VanDerWaalsContact O-CB 3.31Å; P56-T59 WeakPolarHBondContact O-CB 3.48Å; P56-T59 PolarHBondContact O-N 3.22Å; P56-T59 VanDerWaalsContact O-N 3.08Å; P56-T59 PolarHBondContact O-OG1 3.41Å; L57-T59 PolarHBondContact O-N 2.91Å; T59-A63 HydrophobicContact CG2-CB 4.39Å; T59-I64 HydrophobicContact CG2-CD1 4.12Å; T59-I64 HydrophobicContact CG2-CG1 3.81Å
60	P	93.4	Very high	90.7	Very high	70 Å²	70	46.4 Å²	46.4	46%	0.455	23%	0.231	S	C	.	.			trans	-62.8	141.4	-179.6	-23	33	0	0	0	112.7	E58 F62 A63 I64	E58-P60 WeakPolarHBondContact O-CD 3.46Å; P60-F62 PolarHBondContact O-N 3.5Å; P60-A63 HydrophobicContact CB-CB 4.43Å; P60-A63 WeakPolarHBondContact O-CB 3.43Å; P60-A63 PolarHBondContact O-N 3.32Å; P60-I64 PolarHBondContact O-N 3.41Å
61	A	92.8	Very high	90.9	Very high	2 Å²	2	46.2 Å²	46.2	2%	0.017	23%	0.23	C	C	.	.	H	α-helix	trans	-60.7	-32	179.7	0	0	0	0	0	112.6	I64 K65 D90 A92 I93 I96	A61-I64 PolarHBondContact O-N 2.82Å; A61-K65 WeakPolarHBondContact O-CB 3.45Å; A61-K65 PolarHBondContact O-N 2.97Å; A61-D90 VanDerWaalsContact CB-OD2 3.28Å; A61-D90 WeakPolarHBondContact CB-OD2 3.19Å; A61-D90 PolarHBondContact N-OD2 3.21Å; A61-A92 VanDerWaalsContact CB-C 3.46Å; A61-A92 HydrophobicContact CB-CB 3.67Å; A61-I93 HydrophobicContact CB-CB 4.47Å; A61-I93 HydrophobicContact CB-CG2 3.83Å; A61-I96 HydrophobicContact CB-CD1 4.46Å; A61-I96 HydrophobicContact CB-CG2 3.72Å
62	F	92.3	Very high	91.3	Very high	138 Å²	138	43.7 Å²	43.7	61%	0.605	22%	0.218	S	C	*	.	H	α-helix	trans	-64	-42.7	175	-172.5	-100.3	0	0	0	112	P60 I64 K65 E66	P60-F62 PolarHBondContact O-N 3.5Å; F62-I64 VanDerWaalsContact C-N 3.35Å; F62-I64 PolarHBondContact O-N 3.13Å; F62-K65 WeakPolarHBondContact O-CB 3.29Å; F62-K65 PolarHBondContact O-N 2.84Å; F62-K65 VanDerWaalsContact O-N 3.13Å; F62-E66 HydrophobicContact CD1-CG 3.92Å; F62-E66 HydrophobicContact CE1-CG 3.47Å; F62-E66 VanDerWaalsContact CE1-CG 3.47Å; F62-E66 HydrophobicContact CE2-CG 4.29Å; F62-E66 HydrophobicContact CZ-CG 3.67Å; F62-E66 VanDerWaalsContact CZ-OE1 3.3Å; F62-E66 WeakPolarHBondContact CZ-OE1 3.41Å; F62-E66 WeakPolarHBondContact O-CG 3.42Å; F62-E66 PolarHBondContact O-N 3.1Å
63	A	90.6	Very high	91.6	Very high	33 Å²	33	43.7 Å²	43.7	27%	0.273	22%	0.218	S	C	.	.	H	α-helix	trans	-62.9	-41.9	177.8	0	0	0	0	0	111.6	T59 P60 K65 E66 Q67	T59-A63 HydrophobicContact CG2-CB 4.39Å; P60-A63 HydrophobicContact CB-CB 4.43Å; P60-A63 WeakPolarHBondContact O-CB 3.43Å; P60-A63 PolarHBondContact O-N 3.32Å; A63-K65 VanDerWaalsContact C-N 3.28Å; A63-K65 PolarHBondContact O-N 3.11Å; A63-E66 PolarHBondContact O-N 3.33Å; A63-Q67 WeakPolarHBondContact O-CB 3.2Å; A63-Q67 WeakPolarHBondContact O-CG 3.22Å; A63-Q67 PolarHBondContact O-N 3.41Å; A63-Q67 VanDerWaalsContact O-N 3.11Å
64	I	91.4	Very high	91.8	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-37.9	175	-65.7	166.9	0	0	0	111.1	V29 L31 T59 P60 A61 F62 F69 I72 I93 I96 K98	V29-I64 HydrophobicContact CG1-CG2 3.89Å; L31-I64 HydrophobicContact CD1-CD1 4.14Å; L31-I64 HydrophobicContact CD2-CD1 4.3Å; T59-I64 HydrophobicContact CG2-CD1 4.12Å; T59-I64 HydrophobicContact CG2-CG1 3.81Å; P60-I64 PolarHBondContact O-N 3.41Å; A61-I64 PolarHBondContact O-N 2.82Å; F62-I64 VanDerWaalsContact C-N 3.35Å; F62-I64 PolarHBondContact O-N 3.13Å; I64-F69 HydrophobicContact CG2-CB 4.39Å; I64-F69 HydrophobicContact CG2-CD2 4.04Å; I64-I72 HydrophobicContact CD1-CD1 4.45Å; I64-I72 HydrophobicContact CG2-CD1 4.06Å; I64-I72 HydrophobicContact CG2-CG1 4.19Å; I64-I93 HydrophobicContact CD1-CG2 3.96Å; I64-I96 HydrophobicContact CB-CD1 4.38Å; I64-I96 HydrophobicContact CG2-CD1 4.07Å; I64-K98 HydrophobicContact CG2-CD 4.43Å
65	K	91	Very high	91.8	Very high	115 Å²	115	40 Å²	40	50%	0.5	20%	0.2	S	C	.	.	H	α-helix	trans	-69.2	-48.1	179.5	-171.8	177.4	177.4	-178.8	0	112	A61 F62 A63 Q67 G68 I96	A61-K65 WeakPolarHBondContact O-CB 3.45Å; A61-K65 PolarHBondContact O-N 2.97Å; F62-K65 WeakPolarHBondContact O-CB 3.29Å; F62-K65 PolarHBondContact O-N 2.84Å; F62-K65 VanDerWaalsContact O-N 3.13Å; A63-K65 VanDerWaalsContact C-N 3.28Å; A63-K65 PolarHBondContact O-N 3.11Å; K65-Q67 VanDerWaalsContact C-N 3.34Å; K65-Q67 PolarHBondContact O-N 3.49Å; K65-G68 PolarHBondContact O-N 3.43Å; K65-I96 HydrophobicContact CB-CD1 4.45Å
66	E	90.9	Very high	91.1	Very high	106 Å²	106	38 Å²	38	50%	0.495	19%	0.191	S	C	.	.	H	α-helix	trans	-60.5	-42	179.6	-74.9	-67.2	133.5	0	0	112.1	H22 F62 A63 G68	H22-E66 PolarHBondContact ND1-O 2.83Å; H22-E66 VanDerWaalsContact ND1-O 3.14Å; F62-E66 HydrophobicContact CD1-CG 3.92Å; F62-E66 HydrophobicContact CE1-CG 3.47Å; F62-E66 VanDerWaalsContact CE1-CG 3.47Å; F62-E66 HydrophobicContact CE2-CG 4.29Å; F62-E66 HydrophobicContact CZ-CG 3.67Å; F62-E66 VanDerWaalsContact CZ-OE1 3.3Å; F62-E66 WeakPolarHBondContact CZ-OE1 3.41Å; F62-E66 WeakPolarHBondContact O-CG 3.42Å; F62-E66 PolarHBondContact O-N 3.1Å; A63-E66 PolarHBondContact O-N 3.33Å; E66-G68 PolarHBondContact O-N 2.81Å; E66-G68 VanDerWaalsContact O-N 3.17Å
67	Q	88.8	Confident	90.1	Very high	56 Å²	56	36.2 Å²	36.2	26%	0.262	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.4	179.2	-74.6	-172.1	32.2	0	0	114.2	Y24 A63 K65 F69	Y24-Q67 WeakPolarHBondContact CB-O 3.31Å; Y24-Q67 HydrophobicContact CD2-CB 4.16Å; Y24-Q67 HydrophobicContact CD2-CG 4.49Å; Y24-Q67 PolarHBondContact N-O 3.02Å; Y24-Q67 VanDerWaalsContact N-O 3.16Å; A63-Q67 WeakPolarHBondContact O-CB 3.2Å; A63-Q67 WeakPolarHBondContact O-CG 3.22Å; A63-Q67 PolarHBondContact O-N 3.41Å; A63-Q67 VanDerWaalsContact O-N 3.11Å; K65-Q67 VanDerWaalsContact C-N 3.34Å; K65-Q67 PolarHBondContact O-N 3.49Å; Q67-F69 HydrophobicContact CB-CD2 3.92Å; Q67-F69 HydrophobicContact CB-CE2 3.67Å; Q67-F69 HydrophobicContact CB-CZ 4.44Å; Q67-F69 HydrophobicContact CG-CE2 4.41Å
68	G	91	Very high	88.6	Confident	14 Å²	14	38.9 Å²	38.9	14%	0.144	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.8	11	171.1	0	0	0	0	0	116	K65 E66	K65-G68 PolarHBondContact O-N 3.43Å; E66-G68 PolarHBondContact O-N 2.81Å; E66-G68 VanDerWaalsContact O-N 3.17Å
69	F	94.8	Very high	87.6	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.			trans	-54	141.8	-180	-68.3	-69.1	0	0	0	112.9	Y24 A27 V29 E53 F55 I64 Q67 K98	Y24-F69 HydrophobicContact CD1-CE1 4.2Å; Y24-F69 HydrophobicContact CD2-CE1 4.12Å; Y24-F69 HydrophobicContact CD2-CE2 4.44Å; Y24-F69 AromaticContact CD2-CZ 3.79Å; Y24-F69 HydrophobicContact CD2-CZ 3.79Å; Y24-F69 HydrophobicContact CE2-CZ 4.33Å; Y24-F69 HydrophobicContact CG-CD1 4.48Å; Y24-F69 AromaticContact CG-CE1 3.74Å; Y24-F69 HydrophobicContact CG-CE1 3.74Å; Y24-F69 AromaticContact CG-CZ 3.91Å; Y24-F69 HydrophobicContact CG-CZ 3.91Å; A27-F69 HydrophobicContact CB-CD1 4.04Å; A27-F69 HydrophobicContact CB-CE1 4.24Å; A27-F69 CarbonylContact O-C 3.56Å; V29-F69 HydrophobicContact CB-CB 4.46Å; V29-F69 HydrophobicContact CB-CD1 3.9Å; V29-F69 HydrophobicContact CB-CD2 3.89Å; V29-F69 HydrophobicContact CB-CE1 4.04Å; V29-F69 HydrophobicContact CB-CE2 4.01Å; V29-F69 HydrophobicContact CB-CG 3.82Å; V29-F69 HydrophobicContact CB-CZ 4.1Å; V29-F69 HydrophobicContact CG1-CB 4.22Å; V29-F69 HydrophobicContact CG1-CD2 4.11Å; V29-F69 HydrophobicContact CG1-CG 4.05Å; V29-F69 HydrophobicContact CG2-CE2 4.27Å; V29-F69 HydrophobicContact CG2-CZ 4.38Å; E53-F69 HydrophobicContact CB-CE1 4.11Å; E53-F69 HydrophobicContact CB-CZ 4.22Å; E53-F69 HydrophobicContact CG-CE1 4.17Å; E53-F69 HydrophobicContact CG-CZ 4.42Å; F55-F69 HydrophobicContact CE2-CZ 4.17Å; F55-F69 HydrophobicContact CZ-CZ 4.44Å; I64-F69 HydrophobicContact CG2-CB 4.39Å; I64-F69 HydrophobicContact CG2-CD2 4.04Å; Q67-F69 HydrophobicContact CB-CD2 3.92Å; Q67-F69 HydrophobicContact CB-CE2 3.67Å; Q67-F69 HydrophobicContact CB-CZ 4.44Å; Q67-F69 HydrophobicContact CG-CE2 4.41Å; F69-K98 WeakPolarHBondContact O-CD 3.36Å; F69-K98 WeakPolarHBondContact O-CE 3.5Å; F69-K98 PolarHBondContact O-NZ 2.85Å
70	R	95.4	Very high	86.8	Confident	103 Å²	103	40.1 Å²	40.1	39%	0.389	21%	0.21	S	C	.	.	S	Bend	trans	-78.2	-37.9	178.8	-79	-157.1	161	136.8	8.8	113.9	A27 P99 G212	A27-R70 PolarHBondContact O-N 3.31Å; R70-P99 WeakPolarHBondContact O-CD 3.43Å; R70-G212 PolarHBondContact NH1-O 2.92Å
71	A	96.9	Very high	85.9	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	166.1	-177.1	0	0	0	0	0	111.6	V28 V29 P99 F206 A211	V28-A71 HydrophobicContact CG2-CB 4.29Å; V29-A71 PolarHBondContact N-O 2.9Å; V29-A71 VanDerWaalsContact N-O 3.09Å; A71-P99 WeakPolarHBondContact CA-O 3.45Å; A71-P99 HydrophobicContact CB-CB 4.3Å; A71-F206 HydrophobicContact CB-CE1 3.86Å; A71-F206 HydrophobicContact CB-CZ 3.87Å; A71-A211 HydrophobicContact CB-CB 3.64Å
72	I	97.4	Very high	85	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.4	179.9	-50.7	175.9	0	0	0	108.5	V29 L31 I64 I74 I93 I96 P99 V100 L101	V29-I72 HydrophobicContact CG1-CB 4.17Å; V29-I72 HydrophobicContact CG1-CG1 3.81Å; V29-I72 HydrophobicContact CG1-CG2 4.14Å; V29-I72 CarbonylContact O-C 3.42Å; V29-I72 WeakPolarHBondContact O-CA 3.31Å; L31-I72 HydrophobicContact CD1-CG2 3.89Å; L31-I72 HydrophobicContact CG-CG2 4.07Å; I64-I72 HydrophobicContact CD1-CD1 4.45Å; I64-I72 HydrophobicContact CG2-CD1 4.06Å; I64-I72 HydrophobicContact CG2-CG1 4.19Å; I72-I74 HydrophobicContact CG2-CD1 4.29Å; I72-I74 HydrophobicContact CG2-CG1 3.78Å; I72-I93 HydrophobicContact CD1-CB 4.23Å; I72-I96 HydrophobicContact CD1-CD1 4.13Å; I72-P99 PolarHBondContact N-O 2.97Å; I72-V100 HydrophobicContact CB-CG1 4.25Å; I72-V100 HydrophobicContact CB-CG2 4.18Å; I72-V100 HydrophobicContact CD1-CG2 4.24Å; I72-V100 HydrophobicContact CG2-CG1 4.45Å; I72-V100 CarbonylContact O-C 3.58Å; I72-V100 VanDerWaalsContact O-CA 3.29Å; I72-V100 WeakPolarHBondContact O-CA 3.42Å; I72-L101 PolarHBondContact O-N 3.45Å
73	I	97.1	Very high	84.2	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.7	166.8	-56.6	175	0	0	0	107.5	V28 V29 I30 L31 I41 V45 L101 I103 F206	V28-I73 HydrophobicContact CG1-CD1 3.92Å; V28-I73 HydrophobicContact CG1-CG1 3.92Å; V29-I73 PolarHBondContact O-N 3.43Å; I30-I73 CarbonylContact C-O 3.58Å; I30-I73 VanDerWaalsContact CA-O 3.28Å; I30-I73 WeakPolarHBondContact CA-O 3.46Å; I30-I73 HydrophobicContact CG1-CB 4.32Å; L31-I73 PolarHBondContact N-O 2.88Å; I41-I73 HydrophobicContact CD1-CG2 4.29Å; I41-I73 HydrophobicContact CG2-CB 4.46Å; I41-I73 HydrophobicContact CG2-CD1 3.94Å; I41-I73 HydrophobicContact CG2-CG2 3.92Å; V45-I73 HydrophobicContact CG2-CD1 3.81Å; I73-L101 CarbonylContact C-O 3.56Å; I73-L101 WeakPolarHBondContact CA-O 3.29Å; I73-L101 HydrophobicContact CG1-CB 4.4Å; I73-I103 HydrophobicContact CG2-CD1 3.84Å; I73-F206 HydrophobicContact CD1-CD1 4.42Å; I73-F206 HydrophobicContact CD1-CE1 4.32Å; I73-F206 HydrophobicContact CG1-CD1 4.27Å; I73-F206 HydrophobicContact CG1-CE1 3.75Å
74	I	94.3	Very high	83.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.5	179.9	-51.5	176.2	0	0	0	108	L31 L57 I72 I93 F94 V100 L101 I103 M109	L31-I74 HydrophobicContact CB-CG1 4.31Å; L31-I74 HydrophobicContact CB-CG2 4.46Å; L31-I74 HydrophobicContact CD1-CG1 4.28Å; L31-I74 WeakPolarHBondContact O-CA 3.45Å; L57-I74 HydrophobicContact CD1-CG2 3.91Å; I72-I74 HydrophobicContact CG2-CD1 4.29Å; I72-I74 HydrophobicContact CG2-CG1 3.78Å; I74-I93 HydrophobicContact CD1-CD1 3.6Å; I74-I93 HydrophobicContact CD1-CG1 4.34Å; I74-F94 HydrophobicContact CD1-CE1 3.63Å; I74-F94 HydrophobicContact CD1-CE2 4.41Å; I74-F94 HydrophobicContact CD1-CZ 3.51Å; I74-V100 HydrophobicContact CD1-CG1 3.84Å; I74-V100 HydrophobicContact CG1-CG1 4.17Å; I74-L101 PolarHBondContact N-O 2.99Å; I74-I103 PolarHBondContact O-N 2.75Å; I74-M109 HydrophobicContact CG2-SD 3.88Å
75	S	87.5	Confident	82.8	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	162.8	178.1	73.4	0	0	0	0	111.6	L31 A33	L31-S75 PolarHBondContact O-N 2.78Å; A33-S75 WeakPolarHBondContact CB-O 3.29Å; A33-S75 PolarHBondContact N-O 2.79Å
76	G	74.1	Confident	82.2	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.251	C	S	.	.			trans	-173.5	165.8	176.7	0	0	0	0	0	112.5	Y105	G76-Y105 VanDerWaalsContact CA-CB 3.5Å
77	G	65.4	Low	81.6	Confident	13 Å²	13	45.5 Å²	45.5	13%	0.134	24%	0.243	C	C	.	.			trans	-74.5	-176.1	-179.6	0	0	0	0	0	113.3	N79	G77-N79 PolarHBondContact O-N 2.9Å
78	P	57.5	Low	81.5	Confident	58 Å²	58	51.4 Å²	51.4	38%	0.377	26%	0.264	S	S	.	.	S	Bend	trans	-74.3	9.9	-175.6	33.5	-37.9	0	0	0	114.1
79	N	67.3	Low	81.5	Confident	107 Å²	107	52.5 Å²	52.5	57%	0.572	26%	0.264	S	S	*	.			trans	-66.6	151.9	-178.9	-70	-21.8	0	0	0	110.7	G77 Y105	G77-N79 PolarHBondContact O-N 2.9Å; N79-Y105 WeakPolarHBondContact O-CD2 3.35Å; N79-Y105 VanDerWaalsContact O-CE2 3.27Å; N79-Y105 WeakPolarHBondContact O-CE2 3.48Å
80	S	72.8	Confident	81.4	Confident	27 Å²	27	54.1 Å²	54.1	19%	0.189	27%	0.273	C	S	.	.			trans	-79.2	133.1	179.7	-175.4	0	0	0	0	111	Y82 A83 D155	S80-Y82 PolarHBondContact O-N 3.32Å; S80-Y82 VanDerWaalsContact O-N 3.12Å; S80-Y82 PolarHBondContact OG-N 3.3Å; S80-A83 WeakPolarHBondContact O-CB 3.4Å; S80-A83 PolarHBondContact O-N 2.92Å; S80-A83 VanDerWaalsContact O-N 3.11Å; S80-D155 WeakPolarHBondContact CA-OD2 3.41Å; S80-D155 WeakPolarHBondContact CB-OD2 3.49Å; S80-D155 PolarHBondContact OG-OD2 2.91Å
81	V	74.8	Confident	81.3	Confident	5 Å²	5	52.5 Å²	52.5	3%	0.03	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-8.3	171.5	-66.4	0	0	0	0	113.7	Y105 Q108 M109 K112 V118	V81-Y105 HydrophobicContact CB-CE2 4.22Å; V81-Y105 HydrophobicContact CG1-CD1 4.43Å; V81-Y105 HydrophobicContact CG1-CD2 3.78Å; V81-Y105 HydrophobicContact CG1-CE1 4.09Å; V81-Y105 HydrophobicContact CG1-CE2 3.37Å; V81-Y105 HydrophobicContact CG1-CG 4.28Å; V81-Q108 HydrophobicContact CG1-CB 3.66Å; V81-Q108 HydrophobicContact CG2-CB 4.09Å; V81-M109 HydrophobicContact CG1-CG 3.93Å; V81-K112 HydrophobicContact CB-CD 4.36Å; V81-K112 HydrophobicContact CG2-CD 4.17Å; V81-K112 PolarHBondContact O-NZ 2.8Å; V81-V118 HydrophobicContact CG2-CG2 4.37Å
82	Y	74.4	Confident	81.1	Confident	109 Å²	109	54 Å²	54	43%	0.427	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-0.8	175.6	-66.2	-73.8	0	0	0	113.5	S80 K112 V118	S80-Y82 PolarHBondContact O-N 3.32Å; S80-Y82 VanDerWaalsContact O-N 3.12Å; S80-Y82 PolarHBondContact OG-N 3.3Å; Y82-K112 HydrophobicContact CD1-CD 4.47Å; Y82-K112 HydrophobicContact CE1-CD 4.02Å; Y82-K112 HydrophobicContact CE1-CG 4.37Å; Y82-V118 HydrophobicContact CE2-CB 3.77Å; Y82-V118 HydrophobicContact CE2-CG2 4.31Å; Y82-V118 WeakPolarHBondContact CE2-O 3.47Å; Y82-V118 PolarHBondContact OH-N 3.45Å
83	A	75.4	Confident	81	Confident	34 Å²	34	54 Å²	54	28%	0.281	29%	0.289	S	S	.	.	S	Bend	trans	-63.3	146.4	176.4	0	0	0	0	0	110.5	S80 D85 A86	S80-A83 WeakPolarHBondContact O-CB 3.4Å; S80-A83 PolarHBondContact O-N 2.92Å; S80-A83 VanDerWaalsContact O-N 3.11Å; A83-D85 WeakPolarHBondContact CB-OD1 3.33Å; A83-D85 PolarHBondContact O-N 3.39Å; A83-A86 WeakPolarHBondContact O-CB 3.18Å; A83-A86 PolarHBondContact O-N 2.86Å; A83-A86 VanDerWaalsContact O-N 3.07Å
84	E	74.6	Confident	80.9	Confident	210 Å²	210	54.3 Å²	54.3	98%	0.981	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-25.4	178.7	-67	-178.4	178.8	0	0	112.1
85	D	77.8	Confident	80.9	Confident	135 Å²	135	58.7 Å²	58.7	72%	0.722	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	10.8	177.1	67.6	-25.8	0	0	0	113.5	A83	A83-D85 WeakPolarHBondContact CB-OD1 3.33Å; A83-D85 PolarHBondContact O-N 3.39Å
86	A	78	Confident	81.1	Confident	33 Å²	33	60.4 Å²	60.4	27%	0.273	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-58.7	129.5	178.1	0	0	0	0	0	110.7	A83 W88	A83-A86 WeakPolarHBondContact O-CB 3.18Å; A83-A86 PolarHBondContact O-N 2.86Å; A83-A86 VanDerWaalsContact O-N 3.07Å; A86-W88 PolarHBondContact O-N 3.11Å
87	P	79.5	Confident	82	Confident	51 Å²	51	64 Å²	64	33%	0.331	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-60.5	137.7	-177.4	23.6	-33.7	0	0	0	111	A33 L57 Y105	A33-P87 HydrophobicContact CB-CG 4.24Å; L57-P87 HydrophobicContact CD2-CB 3.92Å; L57-P87 HydrophobicContact CD2-CG 3.72Å; P87-Y105 HydrophobicContact CG-CE1 4.41Å
88	W	86.1	Confident	83.4	Confident	181 Å²	181	65.2 Å²	65.2	69%	0.686	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-70.8	145.8	178.5	-176.5	87	0	0	0	111.1	E58 A86 D90	E58-W88 HydrophobicContact CB-CE3 3.71Å; E58-W88 HydrophobicContact CB-CZ3 3.97Å; A86-W88 PolarHBondContact O-N 3.11Å; W88-D90 HydrophobicContact CH2-CB 4.43Å
89	F	91.2	Very high	85.3	Confident	36 Å²	36	63 Å²	63	16%	0.158	35%	0.349	C	S	.	.			trans	-149.4	157.2	177.8	71.2	-86.2	0	0	0	111	L57 P91 I93 F94 M109 V113	L57-F89 HydrophobicContact CD2-CB 4.16Å; L57-F89 HydrophobicContact CG-CB 3.89Å; F89-P91 HydrophobicContact CE2-CB 4.29Å; F89-P91 WeakPolarHBondContact O-CD 3.46Å; F89-I93 HydrophobicContact CD2-CD1 4.2Å; F89-F94 HydrophobicContact CE2-CE2 4.03Å; F89-M109 HydrophobicContact CB-CE 3.8Å; F89-M109 HydrophobicContact CD1-CE 3.25Å; F89-M109 HydrophobicContact CD2-CE 3.54Å; F89-M109 HydrophobicContact CE1-CE 3.54Å; F89-M109 HydrophobicContact CE1-CG 4.38Å; F89-M109 HydrophobicContact CE2-CE 3.83Å; F89-M109 HydrophobicContact CG-CE 3.23Å; F89-M109 HydrophobicContact CZ-CB 4.37Å; F89-M109 HydrophobicContact CZ-CE 3.82Å; F89-V113 HydrophobicContact CE2-CG2 3.7Å; F89-V113 HydrophobicContact CZ-CG2 3.71Å
90	D	92.6	Very high	86.8	Confident	35 Å²	35	57.9 Å²	57.9	19%	0.187	32%	0.322	C	S	.	.			trans	-82.9	113.5	174.2	-179.7	1.4	0	0	0	110.6	A61 W88 A92 I93	A61-D90 VanDerWaalsContact CB-OD2 3.28Å; A61-D90 WeakPolarHBondContact CB-OD2 3.19Å; A61-D90 PolarHBondContact N-OD2 3.21Å; W88-D90 HydrophobicContact CH2-CB 4.43Å; D90-A92 PolarHBondContact O-N 3.09Å; D90-A92 VanDerWaalsContact O-N 3.16Å; D90-A92 VanDerWaalsContact OD1-CB 3.23Å; D90-A92 WeakPolarHBondContact OD1-CB 3.07Å; D90-A92 PolarHBondContact OD1-N 2.76Å; D90-I93 HydrophobicContact CB-CG2 4.41Å; D90-I93 VanDerWaalsContact O-CG1 3.22Å; D90-I93 WeakPolarHBondContact O-CG1 3.47Å; D90-I93 WeakPolarHBondContact O-CG2 3.11Å; D90-I93 PolarHBondContact O-N 2.97Å
91	P	92.4	Very high	88	Confident	68 Å²	68	56.6 Å²	56.6	44%	0.442	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-65.8	-17.4	-180	28.3	-35.6	0	0	0	113.4	F89 I93 F94 V113	F89-P91 HydrophobicContact CE2-CB 4.29Å; F89-P91 WeakPolarHBondContact O-CD 3.46Å; P91-I93 PolarHBondContact O-N 3.21Å; P91-F94 PolarHBondContact O-N 3.24Å; P91-V113 HydrophobicContact CB-CG1 4.24Å; P91-V113 HydrophobicContact CB-CG2 4.24Å
92	A	94	Very high	89	Confident	33 Å²	33	56.4 Å²	56.4	27%	0.273	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-66.6	-15	178.1	0	0	0	0	0	113	A61 D90 F94 T95 I96	A61-A92 VanDerWaalsContact CB-C 3.46Å; A61-A92 HydrophobicContact CB-CB 3.67Å; D90-A92 PolarHBondContact O-N 3.09Å; D90-A92 VanDerWaalsContact O-N 3.16Å; D90-A92 VanDerWaalsContact OD1-CB 3.23Å; D90-A92 WeakPolarHBondContact OD1-CB 3.07Å; D90-A92 PolarHBondContact OD1-N 2.76Å; A92-F94 PolarHBondContact O-N 3.31Å; A92-F94 VanDerWaalsContact O-N 3.08Å; A92-T95 WeakPolarHBondContact CA-OG1 3.42Å; A92-T95 PolarHBondContact O-N 3.38Å; A92-T95 PolarHBondContact O-OG1 2.99Å; A92-T95 VanDerWaalsContact O-OG1 3.08Å; A92-I96 WeakPolarHBondContact O-CG2 3.35Å; A92-I96 PolarHBondContact O-N 3.22Å
93	I	94.3	Very high	89.8	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-56.1	-28.3	175.2	66	-171.9	0	0	0	112.3	L31 A61 I64 I72 I74 F89 D90 P91	L31-I93 HydrophobicContact CD1-CD1 3.96Å; L31-I93 HydrophobicContact CD1-CG2 4.46Å; A61-I93 HydrophobicContact CB-CB 4.47Å; A61-I93 HydrophobicContact CB-CG2 3.83Å; I64-I93 HydrophobicContact CD1-CG2 3.96Å; I72-I93 HydrophobicContact CD1-CB 4.23Å; I74-I93 HydrophobicContact CD1-CD1 3.6Å; I74-I93 HydrophobicContact CD1-CG1 4.34Å; F89-I93 HydrophobicContact CD2-CD1 4.2Å; D90-I93 HydrophobicContact CB-CG2 4.41Å; D90-I93 VanDerWaalsContact O-CG1 3.22Å; D90-I93 WeakPolarHBondContact O-CG1 3.47Å; D90-I93 WeakPolarHBondContact O-CG2 3.11Å; D90-I93 PolarHBondContact O-N 2.97Å; P91-I93 PolarHBondContact O-N 3.21Å
94	F	95.2	Very high	90.4	Very high	6 Å²	6	49.6 Å²	49.6	3%	0.026	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-84.8	-7.1	177.4	-60.6	-73.7	0	0	0	114.1	I74 F89 P91 A92 V100 M109 M110 V113 F114	I74-F94 HydrophobicContact CD1-CE1 3.63Å; I74-F94 HydrophobicContact CD1-CE2 4.41Å; I74-F94 HydrophobicContact CD1-CZ 3.51Å; F89-F94 HydrophobicContact CE2-CE2 4.03Å; P91-F94 PolarHBondContact O-N 3.24Å; A92-F94 PolarHBondContact O-N 3.31Å; A92-F94 VanDerWaalsContact O-N 3.08Å; F94-V100 HydrophobicContact CD1-CB 4.32Å; F94-V100 HydrophobicContact CD1-CG1 3.96Å; F94-V100 HydrophobicContact CD1-CG2 4.31Å; F94-V100 HydrophobicContact CE1-CG1 3.78Å; F94-M109 HydrophobicContact CZ-CB 4.31Å; F94-M110 HydrophobicContact CD1-CB 4.37Å; F94-M110 HydrophobicContact CD1-CE 4.09Å; F94-M110 HydrophobicContact CD1-CG 4.11Å; F94-M110 HydrophobicContact CE1-CB 3.71Å; F94-M110 HydrophobicContact CE1-CE 3.76Å; F94-M110 HydrophobicContact CE1-CG 3.93Å; F94-M110 HydrophobicContact CZ-CB 4.02Å; F94-V113 HydrophobicContact CD2-CB 4.23Å; F94-V113 HydrophobicContact CD2-CG1 4.05Å; F94-V113 HydrophobicContact CD2-CG2 4.02Å; F94-V113 HydrophobicContact CE2-CB 4.46Å; F94-V113 HydrophobicContact CE2-CG2 3.93Å; F94-F114 HydrophobicContact CB-CE2 3.76Å; F94-F114 HydrophobicContact CB-CZ 3.85Å; F94-F114 HydrophobicContact CG-CE2 4.24Å
95	T	93.6	Very high	91	Very high	92 Å²	92	40 Å²	40	56%	0.564	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120	-5.5	-172.9	63.6	0	0	0	0	114.3	A92 G97	A92-T95 WeakPolarHBondContact CA-OG1 3.42Å; A92-T95 PolarHBondContact O-N 3.38Å; A92-T95 PolarHBondContact O-OG1 2.99Å; A92-T95 VanDerWaalsContact O-OG1 3.08Å; T95-G97 PolarHBondContact O-N 3.09Å; T95-G97 VanDerWaalsContact O-N 3.09Å
96	I	93.2	Very high	91.6	Very high	36 Å²	36	33.5 Å²	33.5	19%	0.185	20%	0.199	C	C	.	.	S	Bend	trans	-71.7	3.9	177.3	58.6	172.3	0	0	0	115.2	A61 I64 K65 I72 A92 K98	A61-I96 HydrophobicContact CB-CD1 4.46Å; A61-I96 HydrophobicContact CB-CG2 3.72Å; I64-I96 HydrophobicContact CB-CD1 4.38Å; I64-I96 HydrophobicContact CG2-CD1 4.07Å; K65-I96 HydrophobicContact CB-CD1 4.45Å; I72-I96 HydrophobicContact CD1-CD1 4.13Å; A92-I96 WeakPolarHBondContact O-CG2 3.35Å; A92-I96 PolarHBondContact O-N 3.22Å; I96-K98 HydrophobicContact CD1-CD 4Å; I96-K98 HydrophobicContact CD1-CG 4.4Å; I96-K98 HydrophobicContact CG1-CB 4.47Å; I96-K98 HydrophobicContact CG1-CG 4.41Å
97	G	92.2	Very high	92.3	Very high	74 Å²	74	32 Å²	32	76%	0.763	19%	0.186	S	C	*	.	S	Bend	trans	79.4	12.5	174.4	0	0	0	0	0	115.2	T95	T95-G97 PolarHBondContact O-N 3.09Å; T95-G97 VanDerWaalsContact O-N 3.09Å
98	K	94.9	Very high	92.8	Very high	39 Å²	39	29.7 Å²	29.7	17%	0.17	17%	0.171	C	C	.	.	S	Bend	trans	-95.5	145.2	171.9	-64.2	-179	-178	-60.8	0	109.9	I64 F69 I96	I64-K98 HydrophobicContact CG2-CD 4.43Å; F69-K98 WeakPolarHBondContact O-CD 3.36Å; F69-K98 WeakPolarHBondContact O-CE 3.5Å; F69-K98 PolarHBondContact O-NZ 2.85Å; I96-K98 HydrophobicContact CD1-CD 4Å; I96-K98 HydrophobicContact CD1-CG 4.4Å; I96-K98 HydrophobicContact CG1-CB 4.47Å; I96-K98 HydrophobicContact CG1-CG 4.41Å
99	P	97.7	Very high	93	Very high	12 Å²	12	21.1 Å²	21.1	8%	0.078	14%	0.138	C	C	.	.			trans	-60.7	142.2	174	-23.4	35.3	0	0	0	112.2	R70 A71 I72 K183 F206 I210 A211	R70-P99 WeakPolarHBondContact O-CD 3.43Å; A71-P99 WeakPolarHBondContact CA-O 3.45Å; A71-P99 HydrophobicContact CB-CB 4.3Å; I72-P99 PolarHBondContact N-O 2.97Å; P99-K183 VanDerWaalsContact CA-O 3.31Å; P99-K183 WeakPolarHBondContact CA-O 3.43Å; P99-K183 HydrophobicContact CB-CB 3.94Å; P99-K183 HydrophobicContact CG-CB 4.06Å; P99-K183 HydrophobicContact CG-CD 3.84Å; P99-F206 HydrophobicContact CB-CE2 4.09Å; P99-F206 HydrophobicContact CB-CZ 4.25Å; P99-I210 HydrophobicContact CB-CG2 3.77Å; P99-I210 HydrophobicContact CG-CG2 4.18Å; P99-A211 HydrophobicContact CG-CB 4.49Å
100	V	98.1	Very high	93.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131.6	-179.5	-171.7	0	0	0	0	110.8	I72 I74 F94 M110 K183 L184 Y185	I72-V100 HydrophobicContact CB-CG1 4.25Å; I72-V100 HydrophobicContact CB-CG2 4.18Å; I72-V100 HydrophobicContact CD1-CG2 4.24Å; I72-V100 HydrophobicContact CG2-CG1 4.45Å; I72-V100 CarbonylContact O-C 3.58Å; I72-V100 VanDerWaalsContact O-CA 3.29Å; I72-V100 WeakPolarHBondContact O-CA 3.42Å; I74-V100 HydrophobicContact CD1-CG1 3.84Å; I74-V100 HydrophobicContact CG1-CG1 4.17Å; F94-V100 HydrophobicContact CD1-CB 4.32Å; F94-V100 HydrophobicContact CD1-CG1 3.96Å; F94-V100 HydrophobicContact CD1-CG2 4.31Å; F94-V100 HydrophobicContact CE1-CG1 3.78Å; V100-M110 HydrophobicContact CB-CE 4.04Å; V100-M110 HydrophobicContact CG1-CE 3.81Å; V100-K183 PolarHBondContact N-O 2.72Å; V100-K183 VanDerWaalsContact N-O 3.11Å; V100-L184 HydrophobicContact CB-CD2 3.63Å; V100-L184 HydrophobicContact CG2-CD2 3.55Å; V100-Y185 PolarHBondContact O-N 2.71Å
101	L	97.9	Very high	93.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	112.5	168.9	177.9	62.1	0	0	0	109.6	I72 I73 I74 I103 L139 Y185 L203 F206	I72-L101 PolarHBondContact O-N 3.45Å; I73-L101 CarbonylContact C-O 3.56Å; I73-L101 WeakPolarHBondContact CA-O 3.29Å; I73-L101 HydrophobicContact CG1-CB 4.4Å; I74-L101 PolarHBondContact N-O 2.99Å; L101-I103 HydrophobicContact CD2-CD1 4.39Å; L101-I103 HydrophobicContact CD2-CG1 4.45Å; L101-I103 HydrophobicContact CG-CG1 4.2Å; L101-L139 HydrophobicContact CD1-CD1 4.27Å; L101-L139 HydrophobicContact CD1-CD2 3.97Å; L101-Y185 CarbonylContact C-O 3.52Å; L101-Y185 WeakPolarHBondContact CA-O 3.44Å; L101-L203 HydrophobicContact CD2-CD2 4Å; L101-F206 HydrophobicContact CB-CD1 3.99Å; L101-F206 HydrophobicContact CB-CD2 3.84Å; L101-F206 HydrophobicContact CB-CE1 3.74Å; L101-F206 HydrophobicContact CB-CE2 3.59Å; L101-F206 HydrophobicContact CB-CG 4.03Å; L101-F206 HydrophobicContact CB-CZ 3.53Å; L101-F206 HydrophobicContact CD2-CB 4.32Å; L101-F206 HydrophobicContact CD2-CD1 4.11Å; L101-F206 HydrophobicContact CD2-CG 4.05Å
102	G	95.4	Very high	93.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	123.8	172.6	0	0	0	0	0	111.5	G106 Y185 G186 A187	G102-G106 VanDerWaalsContact CA-C 3.5Å; G102-Y185 PolarHBondContact N-O 2.74Å; G102-G186 CarbonylContact O-C 3.55Å; G102-G186 VanDerWaalsContact O-CA 3.3Å; G102-G186 WeakPolarHBondContact O-CA 3.14Å; G102-A187 PolarHBondContact O-N 3.27Å
103	I	92.7	Very high	93.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.4	178.7	-60.3	170.8	0	0	0	108.8	I41 I73 I74 L101 Y105 G106 P191	I41-I103 HydrophobicContact CD1-CD1 3.86Å; I41-I103 HydrophobicContact CG1-CD1 4.33Å; I73-I103 HydrophobicContact CG2-CD1 3.84Å; I74-I103 PolarHBondContact O-N 2.75Å; L101-I103 HydrophobicContact CD2-CD1 4.39Å; L101-I103 HydrophobicContact CD2-CG1 4.45Å; L101-I103 HydrophobicContact CG-CG1 4.2Å; I103-Y105 PolarHBondContact O-N 2.64Å; I103-G106 PolarHBondContact O-N 3.21Å; I103-P191 HydrophobicContact CD1-CG 4.01Å; I103-P191 HydrophobicContact CG1-CG 4.39Å
104	C	87.5	Confident	93.3	Very high	1 Å²	1	21 Å²	21	1%	0.007	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	-101.5	-177.2	-172	0	0	0	0	112.3	G106 M107 Q108 T152 A187 Q188	C104-G106 PolarHBondContact O-N 3.48Å; C104-M107 WeakPolarHBondContact O-CB 3.11Å; C104-M107 PolarHBondContact O-N 2.86Å; C104-Q108 PolarHBondContact O-N 3.19Å; C104-Q108 VanDerWaalsContact O-N 3.16Å; C104-T152 PolarHBondContact SG-O 2.69Å; C104-A187 PolarHBondContact N-O 3.09Å; C104-Q188 PolarHBondContact SG-NE2 3.26Å
105	Y	86.3	Confident	93.1	Very high	7 Å²	7	23 Å²	23	3%	0.027	15%	0.149	C	C	.	.	H	α-helix	trans	-53.3	-40.5	174.7	-165.3	-99.9	0	0	0	112.5	A33 G76 N79 V81 P87 I103 M107 Q108 M109	A33-Y105 HydrophobicContact CB-CD1 3.67Å; A33-Y105 HydrophobicContact CB-CE1 3.87Å; G76-Y105 VanDerWaalsContact CA-CB 3.5Å; N79-Y105 WeakPolarHBondContact O-CD2 3.35Å; N79-Y105 VanDerWaalsContact O-CE2 3.27Å; N79-Y105 WeakPolarHBondContact O-CE2 3.48Å; V81-Y105 HydrophobicContact CB-CE2 4.22Å; V81-Y105 HydrophobicContact CG1-CD1 4.43Å; V81-Y105 HydrophobicContact CG1-CD2 3.78Å; V81-Y105 HydrophobicContact CG1-CE1 4.09Å; V81-Y105 HydrophobicContact CG1-CE2 3.37Å; V81-Y105 HydrophobicContact CG1-CG 4.28Å; P87-Y105 HydrophobicContact CG-CE1 4.41Å; I103-Y105 PolarHBondContact O-N 2.64Å; Y105-M107 VanDerWaalsContact C-N 3.32Å; Y105-M107 PolarHBondContact O-N 3.02Å; Y105-Q108 WeakPolarHBondContact O-CB 3.49Å; Y105-Q108 PolarHBondContact O-N 3.13Å; Y105-Q108 VanDerWaalsContact O-N 3.12Å; Y105-M109 HydrophobicContact CD1-CG 3.83Å; Y105-M109 HydrophobicContact CD1-SD 3.44Å; Y105-M109 WeakPolarHBondContact CD1-SD 3.35Å; Y105-M109 HydrophobicContact CE1-CG 3.71Å; Y105-M109 HydrophobicContact CE1-SD 3.49Å; Y105-M109 WeakPolarHBondContact CE1-SD 3.47Å; Y105-M109 VanDerWaalsContact O-CG 3.31Å; Y105-M109 WeakPolarHBondContact O-CG 3.33Å; Y105-M109 PolarHBondContact O-N 3.28Å
106	G	90.8	Very high	93.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.2	-35.2	177.7	0	0	0	0	0	113.3	G102 I103 C104 M110	G102-G106 VanDerWaalsContact CA-C 3.5Å; I103-G106 PolarHBondContact O-N 3.21Å; C104-G106 PolarHBondContact O-N 3.48Å; G106-M110 WeakPolarHBondContact O-CB 3.33Å; G106-M110 PolarHBondContact O-N 2.87Å
107	M	93.2	Very high	92.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.8	-41.1	173.3	170.9	175.9	164	0	0	111.1	C104 Y105 M110 N111 V157 V174 I177 G186 Q188	C104-M107 WeakPolarHBondContact O-CB 3.11Å; C104-M107 PolarHBondContact O-N 2.86Å; Y105-M107 VanDerWaalsContact C-N 3.32Å; Y105-M107 PolarHBondContact O-N 3.02Å; M107-M110 PolarHBondContact O-N 3.17Å; M107-N111 PolarHBondContact O-N 3.16Å; M107-V157 HydrophobicContact CE-CG2 3.87Å; M107-V174 HydrophobicContact CE-CG1 3.92Å; M107-I177 HydrophobicContact CE-CB 4.45Å; M107-I177 HydrophobicContact CE-CD1 4.35Å; M107-I177 HydrophobicContact CE-CG1 3.98Å; M107-I177 HydrophobicContact CE-CG2 3.95Å; M107-I177 HydrophobicContact CG-CD1 4.09Å; M107-I177 HydrophobicContact CG-CG1 4.06Å; M107-I177 HydrophobicContact SD-CG1 4.37Å; M107-G186 VanDerWaalsContact SD-C 3.55Å; M107-Q188 HydrophobicContact CE-CB 4.45Å; M107-Q188 HydrophobicContact SD-CB 3.91Å; M107-Q188 PolarHBondContact SD-N 3.14Å
108	Q	89.3	Confident	92.5	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.019	10%	0.095	C	C	.	.	H	α-helix	trans	-65.7	-43	177.9	-65.3	178.8	-1.5	0	0	111.7	V81 C104 Y105 M110 N111 K112 V118 D155	V81-Q108 HydrophobicContact CG1-CB 3.66Å; V81-Q108 HydrophobicContact CG2-CB 4.09Å; C104-Q108 PolarHBondContact O-N 3.19Å; C104-Q108 VanDerWaalsContact O-N 3.16Å; Y105-Q108 WeakPolarHBondContact O-CB 3.49Å; Y105-Q108 PolarHBondContact O-N 3.13Å; Y105-Q108 VanDerWaalsContact O-N 3.12Å; Q108-M110 VanDerWaalsContact C-N 3.35Å; Q108-M110 PolarHBondContact O-N 3.23Å; Q108-N111 PolarHBondContact O-N 2.84Å; Q108-K112 WeakPolarHBondContact O-CB 3.47Å; Q108-K112 PolarHBondContact O-N 3.44Å; Q108-V118 HydrophobicContact CB-CG2 4.25Å; Q108-V118 HydrophobicContact CG-CG1 4.18Å; Q108-V118 HydrophobicContact CG-CG2 4.41Å; Q108-D155 PolarHBondContact NE2-O 2.86Å
109	M	91.3	Very high	91.7	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-57.4	-49.1	173.6	-68.2	169.6	77.2	0	0	110.9	L57 I74 V81 F89 F94 Y105 N111 K112 V113	L57-M109 HydrophobicContact CD1-CE 3.86Å; L57-M109 HydrophobicContact CD1-SD 4.26Å; L57-M109 HydrophobicContact CD2-CE 3.93Å; L57-M109 HydrophobicContact CD2-SD 4.43Å; L57-M109 HydrophobicContact CG-CE 4.15Å; I74-M109 HydrophobicContact CG2-SD 3.88Å; V81-M109 HydrophobicContact CG1-CG 3.93Å; F89-M109 HydrophobicContact CB-CE 3.8Å; F89-M109 HydrophobicContact CD1-CE 3.25Å; F89-M109 HydrophobicContact CD2-CE 3.54Å; F89-M109 HydrophobicContact CE1-CE 3.54Å; F89-M109 HydrophobicContact CE1-CG 4.38Å; F89-M109 HydrophobicContact CE2-CE 3.83Å; F89-M109 HydrophobicContact CG-CE 3.23Å; F89-M109 HydrophobicContact CZ-CB 4.37Å; F89-M109 HydrophobicContact CZ-CE 3.82Å; F94-M109 HydrophobicContact CZ-CB 4.31Å; Y105-M109 HydrophobicContact CD1-CG 3.83Å; Y105-M109 HydrophobicContact CD1-SD 3.44Å; Y105-M109 WeakPolarHBondContact CD1-SD 3.35Å; Y105-M109 HydrophobicContact CE1-CG 3.71Å; Y105-M109 HydrophobicContact CE1-SD 3.49Å; Y105-M109 WeakPolarHBondContact CE1-SD 3.47Å; Y105-M109 VanDerWaalsContact O-CG 3.31Å; Y105-M109 WeakPolarHBondContact O-CG 3.33Å; Y105-M109 PolarHBondContact O-N 3.28Å; M109-N111 PolarHBondContact O-N 3.1Å; M109-K112 PolarHBondContact O-N 3.31Å; M109-V113 VanDerWaalsContact O-CG2 3.3Å; M109-V113 WeakPolarHBondContact O-CG2 3.3Å; M109-V113 PolarHBondContact O-N 3.23Å
110	M	94.7	Very high	90.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.4	-48.8	178.2	-175.2	-177.1	-67	0	0	111.1	F94 V100 G106 M107 Q108 K112 V113 F114 F164 L184 Y185	F94-M110 HydrophobicContact CD1-CB 4.37Å; F94-M110 HydrophobicContact CD1-CE 4.09Å; F94-M110 HydrophobicContact CD1-CG 4.11Å; F94-M110 HydrophobicContact CE1-CB 3.71Å; F94-M110 HydrophobicContact CE1-CE 3.76Å; F94-M110 HydrophobicContact CE1-CG 3.93Å; F94-M110 HydrophobicContact CZ-CB 4.02Å; V100-M110 HydrophobicContact CB-CE 4.04Å; V100-M110 HydrophobicContact CG1-CE 3.81Å; G106-M110 WeakPolarHBondContact O-CB 3.33Å; G106-M110 PolarHBondContact O-N 2.87Å; M107-M110 PolarHBondContact O-N 3.17Å; Q108-M110 VanDerWaalsContact C-N 3.35Å; Q108-M110 PolarHBondContact O-N 3.23Å; M110-K112 PolarHBondContact O-N 2.9Å; M110-V113 PolarHBondContact O-N 3.36Å; M110-F114 HydrophobicContact CG-CD2 4.4Å; M110-F114 HydrophobicContact CG-CE2 4.48Å; M110-F114 VanDerWaalsContact O-CD2 3.31Å; M110-F114 WeakPolarHBondContact O-CD2 3.38Å; M110-F114 PolarHBondContact O-N 2.84Å; M110-F164 HydrophobicContact CG-CE1 4.05Å; M110-F164 HydrophobicContact CG-CZ 3.9Å; M110-F164 HydrophobicContact SD-CE1 3.56Å; M110-F164 VanDerWaalsContact SD-CE1 3.56Å; M110-F164 HydrophobicContact SD-CZ 3.95Å; M110-L184 HydrophobicContact CE-CB 4.18Å; M110-L184 HydrophobicContact SD-CB 3.89Å; M110-Y185 VanDerWaalsContact CE-O 3.26Å; M110-Y185 WeakPolarHBondContact CE-O 3.23Å
111	N	94.7	Very high	88.5	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.6	-42.6	178.9	-167.2	66.1	0	0	0	112.1	M107 Q108 M109 F114 G115 G116 T117 V157 K159 V160 A161 I177	M107-N111 PolarHBondContact O-N 3.16Å; Q108-N111 PolarHBondContact O-N 2.84Å; M109-N111 PolarHBondContact O-N 3.1Å; N111-F114 PolarHBondContact O-N 3.4Å; N111-G115 PolarHBondContact O-N 3.3Å; N111-G116 WeakPolarHBondContact ND2-CA 3.26Å; N111-G116 WeakPolarHBondContact O-CA 3.32Å; N111-G116 PolarHBondContact O-N 3.06Å; N111-T117 PolarHBondContact ND2-N 3.39Å; N111-T117 PolarHBondContact ND2-O 2.88Å; N111-V157 HydrophobicContact CB-CG2 4.21Å; N111-V157 WeakPolarHBondContact ND2-CG1 3.33Å; N111-K159 PolarHBondContact ND2-O 3.19Å; N111-V160 WeakPolarHBondContact OD1-CA 3.38Å; N111-A161 WeakPolarHBondContact OD1-CB 3.44Å; N111-A161 PolarHBondContact OD1-N 2.85Å; N111-I177 HydrophobicContact CB-CD1 4.02Å
112	K	92.1	Very high	86.1	Confident	80 Å²	80	37 Å²	37	35%	0.348	20%	0.202	S	C	.	.	H	α-helix	trans	-63.8	-44.2	178.9	-174.2	-177.7	178.9	-172.4	0	112.2	V81 Y82 Q108 M109 M110 F114 G115	V81-K112 HydrophobicContact CB-CD 4.36Å; V81-K112 HydrophobicContact CG2-CD 4.17Å; V81-K112 PolarHBondContact O-NZ 2.8Å; Y82-K112 HydrophobicContact CD1-CD 4.47Å; Y82-K112 HydrophobicContact CE1-CD 4.02Å; Y82-K112 HydrophobicContact CE1-CG 4.37Å; Q108-K112 WeakPolarHBondContact O-CB 3.47Å; Q108-K112 PolarHBondContact O-N 3.44Å; M109-K112 PolarHBondContact O-N 3.31Å; M110-K112 PolarHBondContact O-N 2.9Å; K112-F114 PolarHBondContact O-N 2.98Å; K112-G115 PolarHBondContact O-N 2.98Å; K112-G115 VanDerWaalsContact O-N 3.1Å
113	V	93.8	Very high	84	Confident	50 Å²	50	41.4 Å²	41.4	30%	0.303	23%	0.229	S	C	.	.	H	α-helix	trans	-60.7	-35	-179.4	168.7	0	0	0	0	112	F89 P91 F94 M109 M110	F89-V113 HydrophobicContact CE2-CG2 3.7Å; F89-V113 HydrophobicContact CZ-CG2 3.71Å; P91-V113 HydrophobicContact CB-CG1 4.24Å; P91-V113 HydrophobicContact CB-CG2 4.24Å; F94-V113 HydrophobicContact CD2-CB 4.23Å; F94-V113 HydrophobicContact CD2-CG1 4.05Å; F94-V113 HydrophobicContact CD2-CG2 4.02Å; F94-V113 HydrophobicContact CE2-CB 4.46Å; F94-V113 HydrophobicContact CE2-CG2 3.93Å; M109-V113 VanDerWaalsContact O-CG2 3.3Å; M109-V113 WeakPolarHBondContact O-CG2 3.3Å; M109-V113 PolarHBondContact O-N 3.23Å; M110-V113 PolarHBondContact O-N 3.36Å
114	F	94.4	Very high	82.1	Confident	40 Å²	40	48.5 Å²	48.5	18%	0.175	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	19.6	178.3	-67	-74.5	0	0	0	113.8	F94 M110 N111 K112 A161 F164 L184	F94-F114 HydrophobicContact CB-CE2 3.76Å; F94-F114 HydrophobicContact CB-CZ 3.85Å; F94-F114 HydrophobicContact CG-CE2 4.24Å; M110-F114 HydrophobicContact CG-CD2 4.4Å; M110-F114 HydrophobicContact CG-CE2 4.48Å; M110-F114 VanDerWaalsContact O-CD2 3.31Å; M110-F114 WeakPolarHBondContact O-CD2 3.38Å; M110-F114 PolarHBondContact O-N 2.84Å; N111-F114 PolarHBondContact O-N 3.4Å; K112-F114 PolarHBondContact O-N 2.98Å; F114-A161 HydrophobicContact CB-CB 3.58Å; F114-A161 WeakPolarHBondContact O-CB 3.21Å; F114-F164 HydrophobicContact CB-CD2 4.49Å; F114-F164 HydrophobicContact CB-CE2 3.96Å; F114-F164 AromaticContact CD2-CE2 3.54Å; F114-F164 HydrophobicContact CD2-CE2 3.54Å; F114-F164 AromaticContact CD2-CZ 3.77Å; F114-F164 HydrophobicContact CD2-CZ 3.77Å; F114-F164 HydrophobicContact CE2-CE2 4.15Å; F114-F164 HydrophobicContact CE2-CZ 4.06Å; F114-F164 AromaticContact CG-CE2 3.75Å; F114-F164 HydrophobicContact CG-CE2 3.75Å; F114-F164 HydrophobicContact CG-CZ 4.44Å; F114-L184 HydrophobicContact CE2-CD1 3.56Å; F114-L184 HydrophobicContact CZ-CD1 3.62Å
115	G	91.6	Very high	80.7	Confident	47 Å²	47	51 Å²	51	49%	0.485	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	13.8	169.3	0	0	0	0	0	115.9	N111 K112	N111-G115 PolarHBondContact O-N 3.3Å; K112-G115 PolarHBondContact O-N 2.98Å; K112-G115 VanDerWaalsContact O-N 3.1Å
116	G	92.9	Very high	79.6	Confident	5 Å²	5	54.3 Å²	54.3	5%	0.052	29%	0.285	C	S	.	.			trans	-78.5	169.6	168.5	0	0	0	0	0	112.8	N111 K159	N111-G116 WeakPolarHBondContact ND2-CA 3.26Å; N111-G116 WeakPolarHBondContact O-CA 3.32Å; N111-G116 PolarHBondContact O-N 3.06Å; G116-K159 CarbonylContact C-O 3.59Å; G116-K159 WeakPolarHBondContact CA-O 3.45Å
117	T	89.7	Confident	78.5	Confident	45 Å²	45	55.3 Å²	55.3	28%	0.276	30%	0.295	S	S	.	.			trans	-118.2	147.7	179	60.5	0	0	0	0	111.3	N111 D158 K159	N111-T117 PolarHBondContact ND2-N 3.39Å; N111-T117 PolarHBondContact ND2-O 2.88Å; T117-D158 PolarHBondContact O-N 3.46Å; T117-K159 HydrophobicContact CG2-CB 4.35Å; T117-K159 PolarHBondContact N-O 3.36Å; T117-K159 WeakPolarHBondContact OG1-CB 3.44Å; T117-K159 PolarHBondContact OG1-N 3.15Å
118	V	84.3	Confident	77.6	Confident	7 Å²	7	58.8 Å²	58.8	4%	0.042	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.2	174.3	-167.6	0	0	0	0	108	V81 Y82 Q108 D155 S156 V157	V81-V118 HydrophobicContact CG2-CG2 4.37Å; Y82-V118 HydrophobicContact CE2-CB 3.77Å; Y82-V118 HydrophobicContact CE2-CG2 4.31Å; Y82-V118 WeakPolarHBondContact CE2-O 3.47Å; Y82-V118 PolarHBondContact OH-N 3.45Å; Q108-V118 HydrophobicContact CB-CG2 4.25Å; Q108-V118 HydrophobicContact CG-CG1 4.18Å; Q108-V118 HydrophobicContact CG-CG2 4.41Å; V118-D155 HydrophobicContact CG1-CB 3.74Å; V118-S156 WeakPolarHBondContact CA-O 3.47Å; V118-S156 VanDerWaalsContact CG1-O 3.25Å; V118-S156 WeakPolarHBondContact CG1-O 3.3Å; V118-V157 HydrophobicContact CG2-CG2 4.44Å
119	H	77.1	Confident	77.2	Confident	107 Å²	107	61.9 Å²	61.9	50%	0.495	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139	177.3	-81.7	-53.6	0	0	0	111.1	K121 S156 D158	H119-K121 PolarHBondContact O-N 2.66Å; H119-S156 PolarHBondContact N-O 3.05Å; H119-S156 PolarHBondContact O-N 2.71Å; H119-D158 HydrophobicContact CB-CB 4.45Å; H119-D158 VanDerWaalsContact CD2-CB 3.47Å; H119-D158 WeakPolarHBondContact CD2-CB 3.45Å; H119-D158 VanDerWaalsContact CD2-CG 3.5Å; H119-D158 IonicContact CD2-OD2 3.44Å; H119-D158 PolarHBondContact CD2-OD2 3.46Å; H119-D158 VanDerWaalsContact CD2-OD2 3.28Å; H119-D158 IonicContact NE2-OD2 2.9Å
120	K	67.1	Low	77	Confident	168 Å²	168	66 Å²	66	73%	0.73	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	116.1	170.4	-167.3	164.3	-168.5	176.8	0	108.9	D155	K120-D155 VanDerWaalsContact CA-OD1 3.28Å; K120-D155 WeakPolarHBondContact CA-OD1 3.34Å; K120-D155 VanDerWaalsContact CB-OD1 3.25Å; K120-D155 WeakPolarHBondContact CB-OD1 3.46Å; K120-D155 VanDerWaalsContact CG-OD1 3.23Å; K120-D155 WeakPolarHBondContact CG-OD1 3.5Å
121	K	62.8	Low	76.9	Confident	86 Å²	86	66.2 Å²	66.2	37%	0.374	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	152	176.7	-77.6	-175	175.7	171.2	0	110.2	H119 V123 G154 S156	H119-K121 PolarHBondContact O-N 2.66Å; K121-V123 PolarHBondContact O-N 3.05Å; K121-G154 PolarHBondContact N-O 3.12Å; K121-S156 VanDerWaalsContact CD-OG 3.29Å; K121-S156 WeakPolarHBondContact CD-OG 3.32Å; K121-S156 WeakPolarHBondContact CE-OG 3.5Å
122	S	46	Very low	76.9	Confident	128 Å²	128	69.1 Å²	69.1	90%	0.895	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	-20	175.9	50.1	0	0	0	0	113.1
123	V	52.5	Low	77.1	Confident	94 Å²	94	66 Å²	66	57%	0.57	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	117.6	178.6	-174.3	0	0	0	0	108.5	K121 E125	K121-V123 PolarHBondContact O-N 3.05Å; V123-E125 HydrophobicContact CG1-CG 4.44Å
124	R	52.7	Low	77.1	Confident	149 Å²	149	65.4 Å²	65.4	56%	0.562	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	113	172.7	-174.7	171.2	175.6	-174	-13	107.8	D126	R124-D126 WeakPolarHBondContact CD-OD2 3.5Å; R124-D126 IonicContact CZ-OD2 2.87Å; R124-D126 IonicContact NE-OD1 3.32Å; R124-D126 IonicContact NE-OD2 3.54Å; R124-D126 PolarHBondContact NE-OD2 3.32Å; R124-D126 IonicContact NH2-OD2 3.62Å; R124-D126 PolarHBondContact NH2-OD2 2.84Å; R124-D126 PolarHBondContact O-N 3.25Å
125	E	57.3	Low	77	Confident	53 Å²	53	65.7 Å²	65.7	25%	0.248	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	94	173.7	-75.7	-176.5	-174.9	0	0	108.2	V123 F129 I173	V123-E125 HydrophobicContact CG1-CG 4.44Å; E125-F129 HydrophobicContact CB-CE2 3.95Å; E125-F129 HydrophobicContact CB-CZ 3.95Å; E125-F129 HydrophobicContact CG-CZ 4.05Å; E125-I173 VanDerWaalsContact OE2-CD1 3.22Å; E125-I173 WeakPolarHBondContact OE2-CD1 3.49Å
126	D	63.2	Low	77.1	Confident	76 Å²	76	68.2 Å²	68.2	41%	0.406	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	104	169.5	-73.9	-23.6	0	0	0	107.7	R124 L151 T152 H153	R124-D126 WeakPolarHBondContact CD-OD2 3.5Å; R124-D126 IonicContact CZ-OD2 2.87Å; R124-D126 IonicContact NE-OD1 3.32Å; R124-D126 IonicContact NE-OD2 3.54Å; R124-D126 PolarHBondContact NE-OD2 3.32Å; R124-D126 IonicContact NH2-OD2 3.62Å; R124-D126 PolarHBondContact NH2-OD2 2.84Å; R124-D126 PolarHBondContact O-N 3.25Å; D126-L151 WeakPolarHBondContact CA-O 3.23Å; D126-T152 VanDerWaalsContact OD1-CA 3.26Å; D126-T152 WeakPolarHBondContact OD1-CA 3.15Å; D126-T152 PolarHBondContact OD1-OG1 3Å; D126-H153 PolarHBondContact OD1-N 3.07Å
127	G	68.5	Low	77.2	Confident	21 Å²	21	68 Å²	68	22%	0.216	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.1	178.8	-175.4	0	0	0	0	0	114.3	F129 L151	G127-F129 VanDerWaalsContact O-CD2 3.27Å; G127-F129 WeakPolarHBondContact O-CD2 3.48Å; G127-L151 PolarHBondContact N-O 3.24Å; G127-L151 PolarHBondContact O-N 3.2Å
128	V	74.5	Confident	77.4	Confident	74 Å²	74	66.6 Å²	66.6	45%	0.448	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	120.6	176.6	179.6	0	0	0	0	108.4	V148 V149 L150 L195	V128-V148 HydrophobicContact CG1-CG1 3.29Å; V128-V149 WeakPolarHBondContact CA-O 3.45Å; V128-L150 HydrophobicContact CG2-CD1 4.13Å; V128-L195 HydrophobicContact CG2-CB 4.21Å; V128-L195 HydrophobicContact CG2-CD1 4.5Å
129	F	79.4	Confident	78	Confident	69 Å²	69	66.3 Å²	66.3	30%	0.303	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	150.2	-176.8	-62.9	-89.9	0	0	0	110.7	E125 G127 I131 V148 V149 L151	E125-F129 HydrophobicContact CB-CE2 3.95Å; E125-F129 HydrophobicContact CB-CZ 3.95Å; E125-F129 HydrophobicContact CG-CZ 4.05Å; G127-F129 VanDerWaalsContact O-CD2 3.27Å; G127-F129 WeakPolarHBondContact O-CD2 3.48Å; F129-I131 HydrophobicContact CB-CG2 4.42Å; F129-V148 WeakPolarHBondContact O-CA 2.79Å; F129-V149 PolarHBondContact N-O 3.01Å; F129-V149 PolarHBondContact O-N 3.4Å; F129-L151 HydrophobicContact CB-CD1 4.24Å; F129-L151 HydrophobicContact CD2-CB 4.02Å; F129-L151 HydrophobicContact CD2-CD1 4.08Å; F129-L151 HydrophobicContact CE2-CB 4.44Å; F129-L151 HydrophobicContact CG-CD1 4.4Å
130	N	87.6	Confident	78.9	Confident	88 Å²	88	61.2 Å²	61.2	47%	0.471	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	121.6	167.2	-169.9	26.8	0	0	0	108.8	E146 E147	N130-E146 PolarHBondContact ND2-OE2 2.88Å; N130-E147 PolarHBondContact OD1-N 3.07Å; N130-E147 PolarHBondContact OD1-O 3.4Å
131	I	91.9	Very high	80.2	Confident	3 Å²	3	59.9 Å²	59.9	2%	0.015	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	158.9	-177.3	66.3	158	0	0	0	111.2	F129 V133 E146 E147 V149 L151 A168 A175 F189	F129-I131 HydrophobicContact CB-CG2 4.42Å; I131-V133 HydrophobicContact CD1-CG1 3.89Å; I131-V133 HydrophobicContact CG1-CG1 4.19Å; I131-E146 CarbonylContact O-C 3.49Å; I131-E146 VanDerWaalsContact O-CA 3.31Å; I131-E146 WeakPolarHBondContact O-CA 3.33Å; I131-E147 HydrophobicContact CG1-CB 4.5Å; I131-E147 WeakPolarHBondContact CG1-O 3.26Å; I131-E147 PolarHBondContact N-O 2.88Å; I131-E147 PolarHBondContact O-N 2.8Å; I131-V149 HydrophobicContact CB-CG2 4.37Å; I131-V149 HydrophobicContact CD1-CB 4.41Å; I131-V149 HydrophobicContact CD1-CG1 3.82Å; I131-V149 HydrophobicContact CD1-CG2 3.67Å; I131-V149 HydrophobicContact CG1-CB 4.47Å; I131-V149 HydrophobicContact CG1-CG1 3.86Å; I131-V149 HydrophobicContact CG1-CG2 3.72Å; I131-V149 HydrophobicContact CG2-CG2 3.73Å; I131-L151 HydrophobicContact CG2-CD1 3.99Å; I131-A168 HydrophobicContact CD1-CB 4.27Å; I131-A175 HydrophobicContact CD1-CB 4.14Å; I131-F189 HydrophobicContact CD1-CD1 3.83Å; I131-F189 HydrophobicContact CD1-CE1 3.61Å; I131-F189 HydrophobicContact CD1-CZ 4.35Å
132	S	95.6	Very high	81.5	Confident	62 Å²	62	59.5 Å²	59.5	43%	0.434	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	135.1	171.6	64.5	0	0	0	0	111.5	K145 A168 R169	S132-K145 CarbonylContact C-O 3.55Å; S132-K145 WeakPolarHBondContact CA-O 3.49Å; S132-A168 CarbonylContact O-C 3.07Å; S132-A168 WeakPolarHBondContact O-CA 3.48Å; S132-R169 PolarHBondContact N-O 2.96Å; S132-R169 PolarHBondContact O-N 3.24Å; S132-R169 PolarHBondContact OG-O 3.47Å
133	V	96.3	Very high	83.8	Confident	13 Å²	13	54 Å²	54	8%	0.079	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149	178.8	-59.3	0	0	0	0	111.7	I131 F140 Q144 K145 E147 A168	I131-V133 HydrophobicContact CD1-CG1 3.89Å; I131-V133 HydrophobicContact CG1-CG1 4.19Å; V133-F140 HydrophobicContact CB-CD2 4.03Å; V133-F140 HydrophobicContact CB-CE2 4.42Å; V133-F140 HydrophobicContact CB-CG 4.27Å; V133-F140 HydrophobicContact CG1-CD2 4.5Å; V133-F140 HydrophobicContact CG1-CE2 4.48Å; V133-Q144 WeakPolarHBondContact CG2-O 3.36Å; V133-K145 PolarHBondContact N-O 2.97Å; V133-E147 HydrophobicContact CG1-CB 4.3Å; V133-E147 HydrophobicContact CG1-CG 4.27Å; V133-E147 HydrophobicContact CG2-CG 3.72Å; V133-A168 HydrophobicContact CG1-CB 3.98Å
134	D	94.7	Very high	85.7	Confident	39 Å²	39	56.1 Å²	56.1	21%	0.209	31%	0.305	C	S	.	.			trans	-91.3	103.3	175.9	-175.1	-12.6	0	0	0	110.3	T136 C137 K165 V167	D134-T136 VanDerWaalsContact CG-OG1 3.27Å; D134-T136 PolarHBondContact O-N 3.03Å; D134-T136 VanDerWaalsContact O-N 3.1Å; D134-T136 WeakPolarHBondContact OD1-CB 3.11Å; D134-T136 PolarHBondContact OD1-N 3.41Å; D134-T136 PolarHBondContact OD1-OG1 2.85Å; D134-T136 PolarHBondContact OD2-OG1 3.31Å; D134-C137 WeakPolarHBondContact O-CB 3.29Å; D134-C137 PolarHBondContact O-N 3.25Å; D134-K165 WeakPolarHBondContact OD2-CE 3.45Å; D134-K165 IonicContact OD2-NZ 2.67Å; D134-K165 PolarHBondContact OD2-NZ 2.94Å; D134-V167 HydrophobicContact CB-CB 4.19Å; D134-V167 HydrophobicContact CB-CG1 4.47Å; D134-V167 WeakPolarHBondContact CB-O 3.48Å; D134-V167 PolarHBondContact N-O 3.37Å
135	N	91.4	Very high	87.6	Confident	45 Å²	45	56.4 Å²	56.4	24%	0.241	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-9.3	-178.4	-54.3	117.4	0	0	0	114.4	C137 F140 L143 Q144 K145	N135-C137 VanDerWaalsContact C-N 3.34Å; N135-F140 PolarHBondContact ND2-O 3.48Å; N135-L143 VanDerWaalsContact ND2-C 3.31Å; N135-L143 PolarHBondContact ND2-O 3.47Å; N135-Q144 PolarHBondContact ND2-O 2.84Å; N135-K145 WeakPolarHBondContact OD1-CG 3.3Å; N135-K145 PolarHBondContact OD1-N 2.84Å
136	T	92.7	Very high	89.4	Confident	100 Å²	100	60 Å²	60	61%	0.613	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-20.9	173.5	70.1	0	0	0	0	112.4	D134	D134-T136 VanDerWaalsContact CG-OG1 3.27Å; D134-T136 PolarHBondContact O-N 3.03Å; D134-T136 VanDerWaalsContact O-N 3.1Å; D134-T136 WeakPolarHBondContact OD1-CB 3.11Å; D134-T136 PolarHBondContact OD1-N 3.41Å; D134-T136 PolarHBondContact OD1-OG1 2.85Å; D134-T136 PolarHBondContact OD2-OG1 3.31Å
137	C	95.1	Very high	90.8	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.014	31%	0.31	C	S	.	.	S	Bend	trans	-62.2	133.9	173.2	-179.2	0	0	0	0	110	D134 N135 L139 F140 R141 V167 E180	D134-C137 WeakPolarHBondContact O-CB 3.29Å; D134-C137 PolarHBondContact O-N 3.25Å; N135-C137 VanDerWaalsContact C-N 3.34Å; C137-L139 PolarHBondContact O-N 2.87Å; C137-L139 VanDerWaalsContact O-N 3.11Å; C137-F140 HydrophobicContact CB-CD2 4.04Å; C137-F140 PolarHBondContact O-N 3.44Å; C137-R141 WeakPolarHBondContact O-CG 3.39Å; C137-R141 PolarHBondContact O-N 3.36Å; C137-V167 HydrophobicContact CB-CB 3.96Å; C137-V167 HydrophobicContact CB-CG1 3.83Å; C137-E180 WeakPolarHBondContact CA-OE1 3.31Å
138	S	95.3	Very high	91.7	Very high	14 Å²	14	58.3 Å²	58.3	10%	0.098	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-57.6	-28.6	179	-61.2	0	0	0	0	112.8	R141 E180	S138-R141 PolarHBondContact OG-NH2 3.41Å; S138-R141 VanDerWaalsContact OG-NH2 3.13Å; S138-E180 WeakPolarHBondContact CB-OE2 3.44Å; S138-E180 PolarHBondContact N-OE1 2.98Å; S138-E180 PolarHBondContact OG-OE1 3.17Å; S138-E180 PolarHBondContact OG-OE2 3.17Å
139	L	96.3	Very high	92.3	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.01	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-71.4	-29.7	177.2	-171.1	65.5	0	0	0	113.6	L101 C137 Y185 I202 N205 F206 I210	L101-L139 HydrophobicContact CD1-CD1 4.27Å; L101-L139 HydrophobicContact CD1-CD2 3.97Å; C137-L139 PolarHBondContact O-N 2.87Å; C137-L139 VanDerWaalsContact O-N 3.11Å; L139-Y185 HydrophobicContact CB-CD1 3.87Å; L139-Y185 HydrophobicContact CB-CE1 4.33Å; L139-Y185 HydrophobicContact CB-CG 4.38Å; L139-I202 HydrophobicContact CD1-CG2 3.8Å; L139-I202 HydrophobicContact CD2-CG2 4.25Å; L139-I202 HydrophobicContact CG-CG2 3.9Å; L139-N205 PolarHBondContact O-ND2 2.93Å; L139-F206 HydrophobicContact CD1-CB 3.91Å; L139-I210 HydrophobicContact CB-CD1 4.42Å; L139-I210 HydrophobicContact CD1-CD1 4.34Å
140	F	96.9	Very high	92.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-113.1	18.9	-171.1	-57.4	-42.8	0	0	0	113.9	V133 N135 C137 L143 V167 A168 F189 I202	V133-F140 HydrophobicContact CB-CD2 4.03Å; V133-F140 HydrophobicContact CB-CE2 4.42Å; V133-F140 HydrophobicContact CB-CG 4.27Å; V133-F140 HydrophobicContact CG1-CD2 4.5Å; V133-F140 HydrophobicContact CG1-CE2 4.48Å; N135-F140 PolarHBondContact ND2-O 3.48Å; C137-F140 HydrophobicContact CB-CD2 4.04Å; C137-F140 PolarHBondContact O-N 3.44Å; F140-L143 HydrophobicContact CB-CD1 4.1Å; F140-L143 HydrophobicContact CD1-CD1 3.89Å; F140-L143 HydrophobicContact CG-CD1 4.4Å; F140-L143 WeakPolarHBondContact O-CB 3.48Å; F140-L143 PolarHBondContact O-N 3.43Å; F140-V167 HydrophobicContact CD2-CB 4.4Å; F140-V167 HydrophobicContact CD2-CG2 4.47Å; F140-V167 HydrophobicContact CE2-CB 4.14Å; F140-V167 HydrophobicContact CE2-CG2 3.81Å; F140-V167 WeakPolarHBondContact CE2-O 3.3Å; F140-A168 HydrophobicContact CE2-CB 3.94Å; F140-A168 HydrophobicContact CZ-CB 4.26Å; F140-F189 AromaticContact CE1-CZ 3.96Å; F140-F189 HydrophobicContact CE1-CZ 3.96Å; F140-F189 HydrophobicContact CZ-CE1 4.42Å; F140-F189 HydrophobicContact CZ-CZ 4.09Å; F140-I202 HydrophobicContact CD1-CD1 4.26Å; F140-I202 HydrophobicContact CD1-CG1 4.1Å; F140-I202 HydrophobicContact CE1-CD1 4.03Å; F140-I202 HydrophobicContact CE1-CG1 4.23Å; F140-I202 HydrophobicContact CE1-CG2 4.42Å
141	R	93.3	Very high	92	Very high	139 Å²	139	48.5 Å²	48.5	53%	0.525	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	139.3	174.9	-63.3	-168.3	-168.7	-171.4	12.5	110.7	C137 S138 L143 N205	C137-R141 WeakPolarHBondContact O-CG 3.39Å; C137-R141 PolarHBondContact O-N 3.36Å; S138-R141 PolarHBondContact OG-NH2 3.41Å; S138-R141 VanDerWaalsContact OG-NH2 3.13Å; R141-L143 VanDerWaalsContact C-N 3.25Å; R141-L143 PolarHBondContact O-N 2.92Å; R141-N205 PolarHBondContact N-ND2 2.91Å; R141-N205 PolarHBondContact O-ND2 3.35Å
142	G	91.4	Very high	90.7	Very high	78 Å²	78	49.2 Å²	49.2	80%	0.804	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	0.9	-179.4	0	0	0	0	0	115.2
143	L	93.6	Very high	89.3	Confident	13 Å²	13	46.3 Å²	46.3	7%	0.068	25%	0.247	C	C	.	.			trans	-90.3	166.8	172.1	-61.2	-176.9	0	0	0	111.6	N135 F140 R141 E147 N198 V201 I202	N135-L143 VanDerWaalsContact ND2-C 3.31Å; N135-L143 PolarHBondContact ND2-O 3.47Å; F140-L143 HydrophobicContact CB-CD1 4.1Å; F140-L143 HydrophobicContact CD1-CD1 3.89Å; F140-L143 HydrophobicContact CG-CD1 4.4Å; F140-L143 WeakPolarHBondContact O-CB 3.48Å; F140-L143 PolarHBondContact O-N 3.43Å; R141-L143 VanDerWaalsContact C-N 3.25Å; R141-L143 PolarHBondContact O-N 2.92Å; L143-E147 HydrophobicContact CB-CG 4.29Å; L143-E147 WeakPolarHBondContact CB-OE1 3.46Å; L143-E147 HydrophobicContact CD1-CG 4.42Å; L143-N198 HydrophobicContact CD2-CB 3.52Å; L143-V201 HydrophobicContact CD2-CB 3.92Å; L143-V201 HydrophobicContact CD2-CG1 3.78Å; L143-V201 HydrophobicContact CD2-CG2 4.49Å; L143-V201 HydrophobicContact CG-CG1 4.42Å; L143-I202 HydrophobicContact CD1-CD1 4.09Å; L143-I202 HydrophobicContact CD1-CG1 3.68Å
144	Q	92.8	Very high	87.6	Confident	139 Å²	139	46.4 Å²	46.4	65%	0.65	25%	0.25	S	S	*	.			trans	-82	172.1	167.7	-60.9	-57.4	-33.8	0	0	110.1	V133 N135 E146 E147	V133-Q144 WeakPolarHBondContact CG2-O 3.36Å; N135-Q144 PolarHBondContact ND2-O 2.84Å; Q144-E146 VanDerWaalsContact C-N 3.27Å; Q144-E147 PolarHBondContact N-OE1 3.35Å
145	K	92.7	Very high	86.4	Confident	154 Å²	154	44.7 Å²	44.7	67%	0.67	24%	0.241	S	C	*	.	S	Bend	trans	-71.8	-25.4	175.6	-72.7	-178.8	-178.9	175.8	0	112.6	S132 V133 N135	S132-K145 CarbonylContact C-O 3.55Å; S132-K145 WeakPolarHBondContact CA-O 3.49Å; V133-K145 PolarHBondContact N-O 2.97Å; N135-K145 WeakPolarHBondContact OD1-CG 3.3Å; N135-K145 PolarHBondContact OD1-N 2.84Å
146	E	93.4	Very high	85.8	Confident	129 Å²	129	42.7 Å²	42.7	60%	0.603	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.8	177.4	-70.5	-172.8	-165.2	0	0	108.6	N130 I131 Q144	N130-E146 PolarHBondContact ND2-OE2 2.88Å; I131-E146 CarbonylContact O-C 3.49Å; I131-E146 VanDerWaalsContact O-CA 3.31Å; I131-E146 WeakPolarHBondContact O-CA 3.33Å; Q144-E146 VanDerWaalsContact C-N 3.27Å
147	E	92.9	Very high	85.5	Confident	10 Å²	10	38.2 Å²	38.2	5%	0.047	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	137.3	-175.5	-69.4	-65.2	149.8	0	0	110.6	N130 I131 V133 L143 Q144 V149 N198	N130-E147 PolarHBondContact OD1-N 3.07Å; N130-E147 PolarHBondContact OD1-O 3.4Å; I131-E147 HydrophobicContact CG1-CB 4.5Å; I131-E147 WeakPolarHBondContact CG1-O 3.26Å; I131-E147 PolarHBondContact N-O 2.88Å; I131-E147 PolarHBondContact O-N 2.8Å; V133-E147 HydrophobicContact CG1-CB 4.3Å; V133-E147 HydrophobicContact CG1-CG 4.27Å; V133-E147 HydrophobicContact CG2-CG 3.72Å; L143-E147 HydrophobicContact CB-CG 4.29Å; L143-E147 WeakPolarHBondContact CB-OE1 3.46Å; L143-E147 HydrophobicContact CD1-CG 4.42Å; Q144-E147 PolarHBondContact N-OE1 3.35Å; E147-V149 HydrophobicContact CB-CG1 4.32Å; E147-N198 WeakPolarHBondContact OE2-CB 3.46Å; E147-N198 PolarHBondContact OE2-ND2 3.08Å
148	V	87.6	Confident	85.1	Confident	51 Å²	51	42.8 Å²	42.8	31%	0.309	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	118.8	177.4	-178.5	0	0	0	0	109.5	V128 F129 E197	V128-V148 HydrophobicContact CG1-CG1 3.29Å; F129-V148 WeakPolarHBondContact O-CA 2.79Å; V148-E197 PolarHBondContact O-N 3.08Å
149	V	88.4	Confident	84.9	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	152.1	-173.4	-50.7	0	0	0	0	112.5	V128 F129 I131 E147 L151 F189 T196	V128-V149 WeakPolarHBondContact CA-O 3.45Å; F129-V149 PolarHBondContact N-O 3.01Å; F129-V149 PolarHBondContact O-N 3.4Å; I131-V149 HydrophobicContact CB-CG2 4.37Å; I131-V149 HydrophobicContact CD1-CB 4.41Å; I131-V149 HydrophobicContact CD1-CG1 3.82Å; I131-V149 HydrophobicContact CD1-CG2 3.67Å; I131-V149 HydrophobicContact CG1-CB 4.47Å; I131-V149 HydrophobicContact CG1-CG1 3.86Å; I131-V149 HydrophobicContact CG1-CG2 3.72Å; I131-V149 HydrophobicContact CG2-CG2 3.73Å; E147-V149 HydrophobicContact CB-CG1 4.32Å; V149-L151 HydrophobicContact CG2-CG 4.14Å; V149-L151 PolarHBondContact O-N 3.27Å; V149-F189 HydrophobicContact CB-CB 3.89Å; V149-F189 HydrophobicContact CB-CD1 4.36Å; V149-F189 HydrophobicContact CB-CD2 3.79Å; V149-F189 HydrophobicContact CB-CE2 4.4Å; V149-F189 HydrophobicContact CB-CG 3.76Å; V149-F189 HydrophobicContact CG1-CD1 4.41Å; V149-F189 HydrophobicContact CG1-CD2 3.87Å; V149-F189 HydrophobicContact CG1-CE1 4.49Å; V149-F189 HydrophobicContact CG1-CE2 3.96Å; V149-F189 HydrophobicContact CG1-CG 4.1Å; V149-F189 HydrophobicContact CG1-CZ 4.27Å; V149-F189 HydrophobicContact CG2-CB 3.74Å; V149-F189 HydrophobicContact CG2-CD1 4.07Å; V149-F189 HydrophobicContact CG2-CD2 4.36Å; V149-F189 HydrophobicContact CG2-CG 3.81Å; V149-T196 HydrophobicContact CB-CG2 4.07Å; V149-T196 HydrophobicContact CG1-CG2 3.91Å
150	L	82.4	Confident	84.8	Confident	24 Å²	24	48.5 Å²	48.5	13%	0.126	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	105.5	168.9	-179.2	71.2	0	0	0	110.6	V128 F189 H190 V193 L195 T196	V128-L150 HydrophobicContact CG2-CD1 4.13Å; L150-F189 VanDerWaalsContact O-CA 3.23Å; L150-F189 WeakPolarHBondContact O-CA 3.28Å; L150-F189 WeakPolarHBondContact O-CB 3.42Å; L150-H190 PolarHBondContact O-N 3.27Å; L150-H190 VanDerWaalsContact O-N 3.14Å; L150-V193 HydrophobicContact CB-CG2 3.93Å; L150-V193 HydrophobicContact CD2-CG2 3.71Å; L150-V193 HydrophobicContact CG-CG2 4.46Å; L150-L195 HydrophobicContact CB-CB 4.21Å; L150-L195 HydrophobicContact CD1-CD1 4.18Å; L150-L195 HydrophobicContact CD2-CD1 4.27Å; L150-T196 PolarHBondContact N-OG1 3.23Å; L150-T196 VanDerWaalsContact N-OG1 3.07Å
151	L	77.9	Confident	84.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	131.6	168.4	-76.5	164.3	0	0	0	109.5	D126 G127 F129 I131 V149 Q188 F189	D126-L151 WeakPolarHBondContact CA-O 3.23Å; G127-L151 PolarHBondContact N-O 3.24Å; G127-L151 PolarHBondContact O-N 3.2Å; F129-L151 HydrophobicContact CB-CD1 4.24Å; F129-L151 HydrophobicContact CD2-CB 4.02Å; F129-L151 HydrophobicContact CD2-CD1 4.08Å; F129-L151 HydrophobicContact CE2-CB 4.44Å; F129-L151 HydrophobicContact CG-CD1 4.4Å; I131-L151 HydrophobicContact CG2-CD1 3.99Å; V149-L151 HydrophobicContact CG2-CG 4.14Å; V149-L151 PolarHBondContact O-N 3.27Å; L151-Q188 HydrophobicContact CD2-CB 4.13Å; L151-Q188 HydrophobicContact CD2-CG 4.3Å; L151-Q188 WeakPolarHBondContact CD2-O 3.41Å; L151-F189 HydrophobicContact CD2-CB 3.86Å; L151-F189 HydrophobicContact CG-CB 4.24Å
152	T	64.5	Low	84.5	Confident	18 Å²	18	47.6 Å²	47.6	11%	0.11	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	101	171.7	-177.3	0	0	0	0	108.2	C104 D126 H190	C104-T152 PolarHBondContact SG-O 2.69Å; D126-T152 VanDerWaalsContact OD1-CA 3.26Å; D126-T152 WeakPolarHBondContact OD1-CA 3.15Å; D126-T152 PolarHBondContact OD1-OG1 3Å; T152-H190 WeakPolarHBondContact CG2-CD2 3.48Å; T152-H190 WeakPolarHBondContact CG2-NE2 3.36Å
153	H	65.4	Low	84.6	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	136.4	179.5	65.7	71.6	0	0	0	112.7	D126 Q188	D126-H153 PolarHBondContact OD1-N 3.07Å; H153-Q188 HydrophobicContact CB-CG 4.36Å
154	G	60.5	Low	84.7	Confident	14 Å²	14	47.1 Å²	47.1	14%	0.144	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-36.8	163	0	0	0	0	0	112.5	K121	K121-G154 PolarHBondContact N-O 3.12Å
155	D	70.8	Confident	84.9	Confident	4 Å²	4	46 Å²	46	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	145.4	-174.6	-79.4	9	0	0	0	111.1	S80 Q108 V118 K120	S80-D155 WeakPolarHBondContact CA-OD2 3.41Å; S80-D155 WeakPolarHBondContact CB-OD2 3.49Å; S80-D155 PolarHBondContact OG-OD2 2.91Å; Q108-D155 PolarHBondContact NE2-O 2.86Å; V118-D155 HydrophobicContact CG1-CB 3.74Å; K120-D155 VanDerWaalsContact CA-OD1 3.28Å; K120-D155 WeakPolarHBondContact CA-OD1 3.34Å; K120-D155 VanDerWaalsContact CB-OD1 3.25Å; K120-D155 WeakPolarHBondContact CB-OD1 3.46Å; K120-D155 VanDerWaalsContact CG-OD1 3.23Å; K120-D155 WeakPolarHBondContact CG-OD1 3.5Å
156	S	78.4	Confident	85.1	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.014	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	144.3	-179.6	67.2	0	0	0	0	112	V118 H119 K121 D158	V118-S156 WeakPolarHBondContact CA-O 3.47Å; V118-S156 VanDerWaalsContact CG1-O 3.25Å; V118-S156 WeakPolarHBondContact CG1-O 3.3Å; H119-S156 PolarHBondContact N-O 3.05Å; H119-S156 PolarHBondContact O-N 2.71Å; K121-S156 VanDerWaalsContact CD-OG 3.29Å; K121-S156 WeakPolarHBondContact CD-OG 3.32Å; K121-S156 WeakPolarHBondContact CE-OG 3.5Å; S156-D158 PolarHBondContact O-N 3.19Å
157	V	85.8	Confident	85.2	Confident	7 Å²	7	34.3 Å²	34.3	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	128.4	174.8	173.4	0	0	0	0	109.9	M107 N111 V118 V160 V174	M107-V157 HydrophobicContact CE-CG2 3.87Å; N111-V157 HydrophobicContact CB-CG2 4.21Å; N111-V157 WeakPolarHBondContact ND2-CG1 3.33Å; V118-V157 HydrophobicContact CG2-CG2 4.44Å; V157-V160 HydrophobicContact CG1-CG2 3.96Å; V157-V174 HydrophobicContact CB-CB 4.26Å; V157-V174 HydrophobicContact CB-CG1 4.46Å
158	D	86.4	Confident	85.4	Confident	97 Å²	97	34 Å²	34	52%	0.519	19%	0.194	S	C	.	.	S	Bend	trans	-102.6	-73	175.6	176.2	50.8	0	0	0	110	T117 H119 S156	T117-D158 PolarHBondContact O-N 3.46Å; H119-D158 HydrophobicContact CB-CB 4.45Å; H119-D158 VanDerWaalsContact CD2-CB 3.47Å; H119-D158 WeakPolarHBondContact CD2-CB 3.45Å; H119-D158 VanDerWaalsContact CD2-CG 3.5Å; H119-D158 IonicContact CD2-OD2 3.44Å; H119-D158 PolarHBondContact CD2-OD2 3.46Å; H119-D158 VanDerWaalsContact CD2-OD2 3.28Å; H119-D158 IonicContact NE2-OD2 2.9Å; S156-D158 PolarHBondContact O-N 3.19Å
159	K	91.2	Very high	85.6	Confident	105 Å²	105	38 Å²	38	46%	0.457	20%	0.203	S	C	.	.	S	Bend	trans	-85.7	117.4	169.1	-168.1	-172.1	173.2	-163	0	109.8	N111 G116 T117	N111-K159 PolarHBondContact ND2-O 3.19Å; G116-K159 CarbonylContact C-O 3.59Å; G116-K159 WeakPolarHBondContact CA-O 3.45Å; T117-K159 HydrophobicContact CG2-CB 4.35Å; T117-K159 PolarHBondContact N-O 3.36Å; T117-K159 WeakPolarHBondContact OG1-CB 3.44Å; T117-K159 PolarHBondContact OG1-N 3.15Å
160	V	94.3	Very high	85.4	Confident	31 Å²	31	38.5 Å²	38.5	19%	0.188	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-70.4	135.7	171	179.4	0	0	0	0	109.3	N111 V157 F164 V166 V174 I177	N111-V160 WeakPolarHBondContact OD1-CA 3.38Å; V157-V160 HydrophobicContact CG1-CG2 3.96Å; V160-F164 HydrophobicContact CG1-CB 3.74Å; V160-V166 HydrophobicContact CG2-CG2 3.62Å; V160-V174 HydrophobicContact CG2-CG1 4.38Å; V160-V174 HydrophobicContact CG2-CG2 4.31Å; V160-I177 HydrophobicContact CG1-CG2 3.93Å; V160-I177 HydrophobicContact CG2-CG2 4.29Å
161	A	93.6	Very high	85.5	Confident	2 Å²	2	40.6 Å²	40.6	2%	0.017	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-57.6	149.7	179.4	0	0	0	0	0	113.2	N111 F114 G163 F164	N111-A161 WeakPolarHBondContact OD1-CB 3.44Å; N111-A161 PolarHBondContact OD1-N 2.85Å; F114-A161 HydrophobicContact CB-CB 3.58Å; F114-A161 WeakPolarHBondContact O-CB 3.21Å; A161-G163 PolarHBondContact O-N 3.09Å; A161-F164 HydrophobicContact CB-CD2 3.8Å; A161-F164 HydrophobicContact CB-CE2 4.37Å; A161-F164 HydrophobicContact CB-CG 4.44Å; A161-F164 WeakPolarHBondContact O-CB 3.05Å; A161-F164 PolarHBondContact O-N 3.13Å; A161-F164 VanDerWaalsContact O-N 3.11Å
162	D	91.5	Very high	85.8	Confident	119 Å²	119	48.3 Å²	48.3	64%	0.636	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	134.5	-179	-69.1	-40.4	0	0	0	111.1	F164	D162-F164 VanDerWaalsContact C-N 3.29Å; D162-F164 PolarHBondContact O-N 3.45Å
163	G	91.7	Very high	86.7	Confident	61 Å²	61	48.1 Å²	48.1	63%	0.629	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	1.5	-175.5	0	0	0	0	0	115.1	A161 N179	A161-G163 PolarHBondContact O-N 3.09Å; G163-N179 PolarHBondContact O-ND2 3.4Å; G163-N179 VanDerWaalsContact O-ND2 3.1Å
164	F	96.2	Very high	87.9	Confident	20 Å²	20	48.8 Å²	48.8	9%	0.088	28%	0.278	C	S	.	.			trans	-99.3	143.3	169.2	-74.5	-102.3	0	0	0	111.3	M110 F114 V160 A161 D162 I177 A178 N179 L184	M110-F164 HydrophobicContact CG-CE1 4.05Å; M110-F164 HydrophobicContact CG-CZ 3.9Å; M110-F164 HydrophobicContact SD-CE1 3.56Å; M110-F164 VanDerWaalsContact SD-CE1 3.56Å; M110-F164 HydrophobicContact SD-CZ 3.95Å; F114-F164 HydrophobicContact CB-CD2 4.49Å; F114-F164 HydrophobicContact CB-CE2 3.96Å; F114-F164 AromaticContact CD2-CE2 3.54Å; F114-F164 HydrophobicContact CD2-CE2 3.54Å; F114-F164 AromaticContact CD2-CZ 3.77Å; F114-F164 HydrophobicContact CD2-CZ 3.77Å; F114-F164 HydrophobicContact CE2-CE2 4.15Å; F114-F164 HydrophobicContact CE2-CZ 4.06Å; F114-F164 AromaticContact CG-CE2 3.75Å; F114-F164 HydrophobicContact CG-CE2 3.75Å; F114-F164 HydrophobicContact CG-CZ 4.44Å; V160-F164 HydrophobicContact CG1-CB 3.74Å; A161-F164 HydrophobicContact CB-CD2 3.8Å; A161-F164 HydrophobicContact CB-CE2 4.37Å; A161-F164 HydrophobicContact CB-CG 4.44Å; A161-F164 WeakPolarHBondContact O-CB 3.05Å; A161-F164 PolarHBondContact O-N 3.13Å; A161-F164 VanDerWaalsContact O-N 3.11Å; D162-F164 VanDerWaalsContact C-N 3.29Å; D162-F164 PolarHBondContact O-N 3.45Å; F164-I177 HydrophobicContact CB-CB 4.47Å; F164-I177 HydrophobicContact CD1-CB 4.2Å; F164-I177 HydrophobicContact CD1-CD1 4.09Å; F164-I177 HydrophobicContact CD1-CG1 4.19Å; F164-A178 CarbonylContact C-O 3.53Å; F164-A178 WeakPolarHBondContact CA-O 3.3Å; F164-N179 HydrophobicContact CD1-CB 3.85Å; F164-N179 HydrophobicContact CD2-CB 4.27Å; F164-N179 HydrophobicContact CE1-CB 3.71Å; F164-N179 HydrophobicContact CE2-CB 4.15Å; F164-N179 HydrophobicContact CG-CB 4.13Å; F164-N179 HydrophobicContact CZ-CB 3.88Å; F164-L184 HydrophobicContact CE1-CB 3.85Å; F164-L184 HydrophobicContact CZ-CB 3.86Å; F164-L184 HydrophobicContact CZ-CD1 3.86Å
165	K	96.6	Very high	89.4	Confident	116 Å²	116	48.1 Å²	48.1	50%	0.504	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	141.1	172.3	-178.4	-176.1	166.8	-162.5	0	109.5	D134 V167 I177 A178	D134-K165 WeakPolarHBondContact OD2-CE 3.45Å; D134-K165 IonicContact OD2-NZ 2.67Å; D134-K165 PolarHBondContact OD2-NZ 2.94Å; K165-V167 HydrophobicContact CG-CG1 4.47Å; K165-V167 PolarHBondContact O-N 2.8Å; K165-I177 CarbonylContact O-C 3.6Å; K165-I177 VanDerWaalsContact O-CA 3.29Å; K165-I177 WeakPolarHBondContact O-CA 3.41Å; K165-A178 PolarHBondContact N-O 3.11Å; K165-A178 PolarHBondContact O-N 3.47Å
166	V	97.2	Very high	90.5	Very high	30 Å²	30	48 Å²	48	18%	0.182	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	122.8	168.5	179.1	0	0	0	0	109.3	V160 R169 V174	V160-V166 HydrophobicContact CG2-CG2 3.62Å; V166-R169 HydrophobicContact CG1-CG 3.77Å; V166-V174 HydrophobicContact CG1-CG1 4.12Å; V166-V174 HydrophobicContact CG2-CG1 4.09Å; V166-V174 HydrophobicContact CG2-CG2 4.21Å
167	V	96.8	Very high	91.4	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.042	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	-3.5	-176.7	-67.6	0	0	0	0	113.3	D134 C137 F140 K165 G176 A178	D134-V167 HydrophobicContact CB-CB 4.19Å; D134-V167 HydrophobicContact CB-CG1 4.47Å; D134-V167 WeakPolarHBondContact CB-O 3.48Å; D134-V167 PolarHBondContact N-O 3.37Å; C137-V167 HydrophobicContact CB-CB 3.96Å; C137-V167 HydrophobicContact CB-CG1 3.83Å; F140-V167 HydrophobicContact CD2-CB 4.4Å; F140-V167 HydrophobicContact CD2-CG2 4.47Å; F140-V167 HydrophobicContact CE2-CB 4.14Å; F140-V167 HydrophobicContact CE2-CG2 3.81Å; F140-V167 WeakPolarHBondContact CE2-O 3.3Å; K165-V167 HydrophobicContact CG-CG1 4.47Å; K165-V167 PolarHBondContact O-N 2.8Å; V167-G176 PolarHBondContact N-O 3.27Å; V167-A178 HydrophobicContact CB-CB 4.49Å; V167-A178 HydrophobicContact CG1-CB 3.8Å; V167-A178 HydrophobicContact CG2-CB 3.87Å
168	A	95.6	Very high	92	Very high	3 Å²	3	47.7 Å²	47.7	3%	0.025	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	148	168.3	0	0	0	0	0	111.6	I131 S132 V133 F140 A175 G176	I131-A168 HydrophobicContact CD1-CB 4.27Å; S132-A168 CarbonylContact O-C 3.07Å; S132-A168 WeakPolarHBondContact O-CA 3.48Å; V133-A168 HydrophobicContact CG1-CB 3.98Å; F140-A168 HydrophobicContact CE2-CB 3.94Å; F140-A168 HydrophobicContact CZ-CB 4.26Å; A168-A175 HydrophobicContact CB-CB 4.02Å; A168-A175 PolarHBondContact O-N 3.49Å; A168-G176 PolarHBondContact N-O 3.25Å; A168-G176 PolarHBondContact O-N 3.44Å
169	R	92.6	Very high	92.6	Very high	135 Å²	135	43.7 Å²	43.7	51%	0.509	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	136.9	178.9	-69.6	-174.8	174.2	125.4	-1.4	112.9	S132 V166 I173	S132-R169 PolarHBondContact N-O 2.96Å; S132-R169 PolarHBondContact O-N 3.24Å; S132-R169 PolarHBondContact OG-O 3.47Å; V166-R169 HydrophobicContact CG1-CG 3.77Å; R169-I173 VanDerWaalsContact CA-O 3.29Å; R169-I173 WeakPolarHBondContact CA-O 3.49Å
170	S	85.1	Confident	92.7	Very high	13 Å²	13	42.5 Å²	42.5	9%	0.091	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	97.5	165.5	-171.8	0	0	0	0	108.4	N172 I173	S170-N172 PolarHBondContact O-N 3.24Å; S170-I173 PolarHBondContact N-O 3.41Å; S170-I173 WeakPolarHBondContact O-CB 3.37Å; S170-I173 PolarHBondContact O-N 3Å
171	G	84.6	Confident	92.7	Very high	67 Å²	67	46.1 Å²	46.1	69%	0.691	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	-114.1	-169.3	0	0	0	0	0	111.9
172	N	82.3	Confident	92.7	Very high	163 Å²	163	51.2 Å²	51.2	87%	0.872	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-0.7	178	-70.5	-30.5	0	0	0	114.1	S170	S170-N172 PolarHBondContact O-N 3.24Å
173	I	83.7	Confident	93	Very high	13 Å²	13	50 Å²	50	7%	0.067	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.6	-177.5	-59.9	164	0	0	0	109.1	E125 R169 S170 A175	E125-I173 VanDerWaalsContact OE2-CD1 3.22Å; E125-I173 WeakPolarHBondContact OE2-CD1 3.49Å; R169-I173 VanDerWaalsContact CA-O 3.29Å; R169-I173 WeakPolarHBondContact CA-O 3.49Å; S170-I173 PolarHBondContact N-O 3.41Å; S170-I173 WeakPolarHBondContact O-CB 3.37Å; S170-I173 PolarHBondContact O-N 3Å; I173-A175 PolarHBondContact O-N 3.07Å; I173-A175 VanDerWaalsContact O-N 3.17Å
174	V	91.8	Very high	93.3	Very high	16 Å²	16	47 Å²	47	10%	0.097	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	107.4	170.4	178	0	0	0	0	108.2	M107 V157 V160 V166 I177	M107-V174 HydrophobicContact CE-CG1 3.92Å; V157-V174 HydrophobicContact CB-CB 4.26Å; V157-V174 HydrophobicContact CB-CG1 4.46Å; V160-V174 HydrophobicContact CG2-CG1 4.38Å; V160-V174 HydrophobicContact CG2-CG2 4.31Å; V166-V174 HydrophobicContact CG1-CG1 4.12Å; V166-V174 HydrophobicContact CG2-CG1 4.09Å; V166-V174 HydrophobicContact CG2-CG2 4.21Å; V174-I177 HydrophobicContact CG1-CG2 3.68Å
175	A	91	Very high	93.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-9.8	-177.6	0	0	0	0	0	112.9	I131 A168 I173 Q188	I131-A175 HydrophobicContact CD1-CB 4.14Å; A168-A175 HydrophobicContact CB-CB 4.02Å; A168-A175 PolarHBondContact O-N 3.49Å; I173-A175 PolarHBondContact O-N 3.07Å; I173-A175 VanDerWaalsContact O-N 3.17Å; A175-Q188 PolarHBondContact O-N 2.9Å
176	G	95.3	Very high	93.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	147	174.9	0	0	0	0	0	113.9	V167 A168 G186	V167-G176 PolarHBondContact N-O 3.27Å; A168-G176 PolarHBondContact N-O 3.25Å; A168-G176 PolarHBondContact O-N 3.44Å; G176-G186 CarbonylContact C-O 3.32Å; G176-G186 WeakPolarHBondContact CA-O 3.27Å
177	I	97.3	Very high	93.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	149.2	-180	57.7	174.7	0	0	0	110.5	M107 N111 V160 F164 K165 V174 G186	M107-I177 HydrophobicContact CE-CB 4.45Å; M107-I177 HydrophobicContact CE-CD1 4.35Å; M107-I177 HydrophobicContact CE-CG1 3.98Å; M107-I177 HydrophobicContact CE-CG2 3.95Å; M107-I177 HydrophobicContact CG-CD1 4.09Å; M107-I177 HydrophobicContact CG-CG1 4.06Å; M107-I177 HydrophobicContact SD-CG1 4.37Å; N111-I177 HydrophobicContact CB-CD1 4.02Å; V160-I177 HydrophobicContact CG1-CG2 3.93Å; V160-I177 HydrophobicContact CG2-CG2 4.29Å; F164-I177 HydrophobicContact CB-CB 4.47Å; F164-I177 HydrophobicContact CD1-CB 4.2Å; F164-I177 HydrophobicContact CD1-CD1 4.09Å; F164-I177 HydrophobicContact CD1-CG1 4.19Å; K165-I177 CarbonylContact O-C 3.6Å; K165-I177 VanDerWaalsContact O-CA 3.29Å; K165-I177 WeakPolarHBondContact O-CA 3.41Å; V174-I177 HydrophobicContact CG1-CG2 3.68Å; I177-G186 PolarHBondContact N-O 3.03Å; I177-G186 PolarHBondContact O-N 2.69Å
178	A	97.9	Very high	92.9	Very high	3 Å²	3	39 Å²	39	3%	0.025	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	142.9	178.1	0	0	0	0	0	112.6	F164 K165 V167 L184 Y185	F164-A178 CarbonylContact C-O 3.53Å; F164-A178 WeakPolarHBondContact CA-O 3.3Å; K165-A178 PolarHBondContact N-O 3.11Å; K165-A178 PolarHBondContact O-N 3.47Å; V167-A178 HydrophobicContact CB-CB 4.49Å; V167-A178 HydrophobicContact CG1-CB 3.8Å; V167-A178 HydrophobicContact CG2-CB 3.87Å; A178-L184 CarbonylContact C-O 3.53Å; A178-L184 WeakPolarHBondContact CA-O 3.44Å; A178-Y185 HydrophobicContact CB-CD1 3.67Å; A178-Y185 HydrophobicContact CB-CE1 4.05Å
179	N	97.6	Very high	92.6	Very high	13 Å²	13	38.8 Å²	38.8	7%	0.07	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	95.4	163.6	-175.3	-33.6	0	0	0	108.2	G163 F164 S181 K182 K183 L184	G163-N179 PolarHBondContact O-ND2 3.4Å; G163-N179 VanDerWaalsContact O-ND2 3.1Å; F164-N179 HydrophobicContact CD1-CB 3.85Å; F164-N179 HydrophobicContact CD2-CB 4.27Å; F164-N179 HydrophobicContact CE1-CB 3.71Å; F164-N179 HydrophobicContact CE2-CB 4.15Å; F164-N179 HydrophobicContact CG-CB 4.13Å; F164-N179 HydrophobicContact CZ-CB 3.88Å; N179-S181 VanDerWaalsContact C-N 3.29Å; N179-S181 PolarHBondContact O-N 3.02Å; N179-S181 PolarHBondContact OD1-N 3.39Å; N179-S181 PolarHBondContact OD1-OG 3.06Å; N179-K182 PolarHBondContact O-N 2.91Å; N179-K182 PolarHBondContact OD1-N 3.06Å; N179-K182 VanDerWaalsContact OD1-N 3.14Å; N179-K183 WeakPolarHBondContact O-CA 3.39Å; N179-K183 PolarHBondContact O-N 2.93Å; N179-L184 HydrophobicContact CB-CB 4.33Å; N179-L184 PolarHBondContact N-O 3.41Å; N179-L184 PolarHBondContact O-N 3.35Å
180	E	94.8	Very high	92.4	Very high	80 Å²	80	32.4 Å²	32.4	37%	0.374	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-36.6	-177	-68	-73.9	168.9	0	0	112.2	C137 S138 K182 K183 Y185	C137-E180 WeakPolarHBondContact CA-OE1 3.31Å; S138-E180 WeakPolarHBondContact CB-OE2 3.44Å; S138-E180 PolarHBondContact N-OE1 2.98Å; S138-E180 PolarHBondContact OG-OE1 3.17Å; S138-E180 PolarHBondContact OG-OE2 3.17Å; E180-K182 PolarHBondContact O-N 2.94Å; E180-K183 PolarHBondContact O-N 2.84Å; E180-Y185 PolarHBondContact OE2-OH 2.73Å; E180-Y185 VanDerWaalsContact OE2-OH 3.07Å
181	S	94.3	Very high	92.8	Very high	108 Å²	108	31.9 Å²	31.9	76%	0.755	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-36.9	-177.8	70.8	0	0	0	0	113.1	N179	N179-S181 VanDerWaalsContact C-N 3.29Å; N179-S181 PolarHBondContact O-N 3.02Å; N179-S181 PolarHBondContact OD1-N 3.39Å; N179-S181 PolarHBondContact OD1-OG 3.06Å
182	K	94.1	Very high	93	Very high	108 Å²	108	28.8 Å²	28.8	47%	0.47	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-1.1	177.5	-62.7	-173.4	179.5	-176.3	0	113.1	N179 E180 L184	N179-K182 PolarHBondContact O-N 2.91Å; N179-K182 PolarHBondContact OD1-N 3.06Å; N179-K182 VanDerWaalsContact OD1-N 3.14Å; E180-K182 PolarHBondContact O-N 2.94Å; K182-L184 VanDerWaalsContact C-N 3.29Å; K182-L184 HydrophobicContact CB-CD1 3.84Å; K182-L184 HydrophobicContact CB-CG 3.79Å; K182-L184 HydrophobicContact CD-CD1 4.17Å; K182-L184 PolarHBondContact O-N 2.8Å
183	K	97.4	Very high	93	Very high	93 Å²	93	22.2 Å²	22.2	40%	0.404	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	43.9	-173.8	-59.5	-177.3	171	-166.3	0	113	P99 V100 N179 E180 Y185 I210	P99-K183 VanDerWaalsContact CA-O 3.31Å; P99-K183 WeakPolarHBondContact CA-O 3.43Å; P99-K183 HydrophobicContact CB-CB 3.94Å; P99-K183 HydrophobicContact CG-CB 4.06Å; P99-K183 HydrophobicContact CG-CD 3.84Å; V100-K183 PolarHBondContact N-O 2.72Å; V100-K183 VanDerWaalsContact N-O 3.11Å; N179-K183 WeakPolarHBondContact O-CA 3.39Å; N179-K183 PolarHBondContact O-N 2.93Å; E180-K183 PolarHBondContact O-N 2.84Å; K183-Y185 HydrophobicContact CB-CE2 4.07Å; K183-Y185 WeakPolarHBondContact O-CD2 3.43Å; K183-Y185 WeakPolarHBondContact O-CE2 3.46Å; K183-I210 HydrophobicContact CB-CG2 4.12Å; K183-I210 HydrophobicContact CD-CG2 4.22Å; K183-I210 HydrophobicContact CG-CG2 4.45Å; K183-I210 PolarHBondContact NZ-O 3.27Å
184	L	97.9	Very high	92.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	124.8	177.7	-56.1	175.5	0	0	0	109.3	V100 M110 F114 F164 A178 N179 K182	V100-L184 HydrophobicContact CB-CD2 3.63Å; V100-L184 HydrophobicContact CG2-CD2 3.55Å; M110-L184 HydrophobicContact CE-CB 4.18Å; M110-L184 HydrophobicContact SD-CB 3.89Å; F114-L184 HydrophobicContact CE2-CD1 3.56Å; F114-L184 HydrophobicContact CZ-CD1 3.62Å; F164-L184 HydrophobicContact CE1-CB 3.85Å; F164-L184 HydrophobicContact CZ-CB 3.86Å; F164-L184 HydrophobicContact CZ-CD1 3.86Å; A178-L184 CarbonylContact C-O 3.53Å; A178-L184 WeakPolarHBondContact CA-O 3.44Å; N179-L184 HydrophobicContact CB-CB 4.33Å; N179-L184 PolarHBondContact N-O 3.41Å; N179-L184 PolarHBondContact O-N 3.35Å; K182-L184 VanDerWaalsContact C-N 3.29Å; K182-L184 HydrophobicContact CB-CD1 3.84Å; K182-L184 HydrophobicContact CB-CG 3.79Å; K182-L184 HydrophobicContact CD-CD1 4.17Å; K182-L184 PolarHBondContact O-N 2.8Å
185	Y	98.1	Very high	92.2	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	139.4	-175.9	-52.7	-92.9	0	0	0	110.6	V100 L101 G102 M110 L139 A178 E180 K183 F206 I210	V100-Y185 PolarHBondContact O-N 2.71Å; L101-Y185 CarbonylContact C-O 3.52Å; L101-Y185 WeakPolarHBondContact CA-O 3.44Å; G102-Y185 PolarHBondContact N-O 2.74Å; M110-Y185 VanDerWaalsContact CE-O 3.26Å; M110-Y185 WeakPolarHBondContact CE-O 3.23Å; L139-Y185 HydrophobicContact CB-CD1 3.87Å; L139-Y185 HydrophobicContact CB-CE1 4.33Å; L139-Y185 HydrophobicContact CB-CG 4.38Å; A178-Y185 HydrophobicContact CB-CD1 3.67Å; A178-Y185 HydrophobicContact CB-CE1 4.05Å; E180-Y185 PolarHBondContact OE2-OH 2.73Å; E180-Y185 VanDerWaalsContact OE2-OH 3.07Å; K183-Y185 HydrophobicContact CB-CE2 4.07Å; K183-Y185 WeakPolarHBondContact O-CD2 3.43Å; K183-Y185 WeakPolarHBondContact O-CE2 3.46Å; Y185-F206 HydrophobicContact CD2-CD2 4.31Å; Y185-F206 HydrophobicContact CD2-CE2 4.28Å; Y185-I210 HydrophobicContact CD2-CD1 4.08Å; Y185-I210 HydrophobicContact CD2-CG2 4.4Å; Y185-I210 HydrophobicContact CE1-CD1 4.12Å; Y185-I210 HydrophobicContact CE2-CB 4.47Å; Y185-I210 HydrophobicContact CE2-CD1 3.56Å; Y185-I210 HydrophobicContact CE2-CG1 4.09Å; Y185-I210 HydrophobicContact CE2-CG2 3.59Å
186	G	96.3	Very high	92.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.5	176.5	0	0	0	0	0	110.9	G102 M107 G176 I177	G102-G186 CarbonylContact O-C 3.55Å; G102-G186 VanDerWaalsContact O-CA 3.3Å; G102-G186 WeakPolarHBondContact O-CA 3.14Å; M107-G186 VanDerWaalsContact SD-C 3.55Å; G176-G186 CarbonylContact C-O 3.32Å; G176-G186 WeakPolarHBondContact CA-O 3.27Å; I177-G186 PolarHBondContact N-O 3.03Å; I177-G186 PolarHBondContact O-N 2.69Å
187	A	94.1	Very high	91.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	134.5	171.9	0	0	0	0	0	110.2	G102 C104 F189	G102-A187 PolarHBondContact O-N 3.27Å; C104-A187 PolarHBondContact N-O 3.09Å; A187-F189 VanDerWaalsContact C-N 3.26Å; A187-F189 HydrophobicContact CB-CD1 4.27Å; A187-F189 HydrophobicContact CB-CE1 3.99Å; A187-F189 HydrophobicContact CB-CE2 4.35Å; A187-F189 HydrophobicContact CB-CZ 4.04Å
188	Q	89.7	Confident	91.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-86.4	-1.7	-179.1	-161.6	59.1	76.3	0	0	112.4	C104 M107 L151 H153 A175	C104-Q188 PolarHBondContact SG-NE2 3.26Å; M107-Q188 HydrophobicContact CE-CB 4.45Å; M107-Q188 HydrophobicContact SD-CB 3.91Å; M107-Q188 PolarHBondContact SD-N 3.14Å; L151-Q188 HydrophobicContact CD2-CB 4.13Å; L151-Q188 HydrophobicContact CD2-CG 4.3Å; L151-Q188 WeakPolarHBondContact CD2-O 3.41Å; H153-Q188 HydrophobicContact CB-CG 4.36Å; A175-Q188 PolarHBondContact O-N 2.9Å
189	F	88.7	Confident	91.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-118.3	167.4	178.9	58.3	-93.5	0	0	0	110.3	I131 F140 V149 L150 L151 A187 P191 T196 I202	I131-F189 HydrophobicContact CD1-CD1 3.83Å; I131-F189 HydrophobicContact CD1-CE1 3.61Å; I131-F189 HydrophobicContact CD1-CZ 4.35Å; F140-F189 AromaticContact CE1-CZ 3.96Å; F140-F189 HydrophobicContact CE1-CZ 3.96Å; F140-F189 HydrophobicContact CZ-CE1 4.42Å; F140-F189 HydrophobicContact CZ-CZ 4.09Å; V149-F189 HydrophobicContact CB-CB 3.89Å; V149-F189 HydrophobicContact CB-CD1 4.36Å; V149-F189 HydrophobicContact CB-CD2 3.79Å; V149-F189 HydrophobicContact CB-CE2 4.4Å; V149-F189 HydrophobicContact CB-CG 3.76Å; V149-F189 HydrophobicContact CG1-CD1 4.41Å; V149-F189 HydrophobicContact CG1-CD2 3.87Å; V149-F189 HydrophobicContact CG1-CE1 4.49Å; V149-F189 HydrophobicContact CG1-CE2 3.96Å; V149-F189 HydrophobicContact CG1-CG 4.1Å; V149-F189 HydrophobicContact CG1-CZ 4.27Å; V149-F189 HydrophobicContact CG2-CB 3.74Å; V149-F189 HydrophobicContact CG2-CD1 4.07Å; V149-F189 HydrophobicContact CG2-CD2 4.36Å; V149-F189 HydrophobicContact CG2-CG 3.81Å; L150-F189 VanDerWaalsContact O-CA 3.23Å; L150-F189 WeakPolarHBondContact O-CA 3.28Å; L150-F189 WeakPolarHBondContact O-CB 3.42Å; L151-F189 HydrophobicContact CD2-CB 3.86Å; L151-F189 HydrophobicContact CG-CB 4.24Å; A187-F189 VanDerWaalsContact C-N 3.26Å; A187-F189 HydrophobicContact CB-CD1 4.27Å; A187-F189 HydrophobicContact CB-CE1 3.99Å; A187-F189 HydrophobicContact CB-CE2 4.35Å; A187-F189 HydrophobicContact CB-CZ 4.04Å; F189-P191 WeakPolarHBondContact O-CD 3.37Å; F189-T196 HydrophobicContact CD2-CG2 4.25Å; F189-T196 HydrophobicContact CE2-CG2 4.37Å; F189-I202 HydrophobicContact CE2-CD1 3.64Å; F189-I202 HydrophobicContact CZ-CD1 3.95Å
190	H	88.8	Confident	91.1	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	24%	0.235	C	C	.	.			trans	-98.5	100.5	-176.1	-71.4	-95.3	0	0	0	111.7	Y37 L150 T152 E192 V193 T196	Y37-H190 AromaticContact CD1-ND1 3.97Å; Y37-H190 AromaticContact CD2-CE1 3.27Å; Y37-H190 WeakPolarHBondContact CD2-CE1 3.4Å; Y37-H190 AromaticContact CD2-ND1 3.62Å; Y37-H190 AromaticContact CE2-CE1 3.32Å; Y37-H190 WeakPolarHBondContact CE2-CE1 3.34Å; Y37-H190 AromaticContact CE2-ND1 3.8Å; Y37-H190 AromaticContact CE2-NE2 3.85Å; Y37-H190 AromaticContact CG-CE1 3.87Å; Y37-H190 AromaticContact CG-ND1 3.74Å; Y37-H190 AromaticContact CZ-CE1 3.93Å; L150-H190 PolarHBondContact O-N 3.27Å; L150-H190 VanDerWaalsContact O-N 3.14Å; T152-H190 WeakPolarHBondContact CG2-CD2 3.48Å; T152-H190 WeakPolarHBondContact CG2-NE2 3.36Å; H190-E192 VanDerWaalsContact C-OE2 3.24Å; H190-E192 VanDerWaalsContact CA-OE2 3.28Å; H190-E192 WeakPolarHBondContact CA-OE2 3.5Å; H190-E192 WeakPolarHBondContact CB-OE2 3.27Å; H190-E192 IonicContact CE1-OE1 2.72Å; H190-E192 IonicContact CG-OE1 2.8Å; H190-E192 IonicContact CG-OE2 3.39Å; H190-E192 IonicContact ND1-OE1 3.62Å; H190-E192 PolarHBondContact ND1-OE1 3.17Å; H190-E192 IonicContact ND1-OE2 3.25Å; H190-E192 PolarHBondContact O-N 3.49Å; H190-V193 HydrophobicContact CB-CG1 4.33Å; H190-V193 HydrophobicContact CB-CG2 3.93Å; H190-V193 VanDerWaalsContact O-CG2 3.27Å; H190-V193 WeakPolarHBondContact O-CG2 3.44Å; H190-T196 VanDerWaalsContact O-CB 3.32Å; H190-T196 WeakPolarHBondContact O-CB 3.41Å; H190-T196 PolarHBondContact O-OG1 2.7Å
191	P	93	Very high	91.2	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.013	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-12.2	176	31.2	-38	0	0	0	113.8	I103 F189 G199 I202 L203	I103-P191 HydrophobicContact CD1-CG 4.01Å; I103-P191 HydrophobicContact CG1-CG 4.39Å; F189-P191 WeakPolarHBondContact O-CD 3.37Å; P191-G199 CarbonylContact O-C 3.6Å; P191-G199 WeakPolarHBondContact O-CA 3.42Å; P191-I202 HydrophobicContact CB-CB 4.12Å; P191-I202 HydrophobicContact CB-CD1 4.4Å; P191-I202 HydrophobicContact CB-CG2 3.98Å; P191-I202 HydrophobicContact CG-CG2 4.43Å; P191-L203 HydrophobicContact CB-CG 4.26Å; P191-L203 HydrophobicContact CG-CD2 4.1Å; P191-L203 HydrophobicContact CG-CG 4.37Å
192	E	88.6	Confident	91.3	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-17.8	-176.4	69.3	-86.3	-155.9	0	0	114.3	Y37 V40 I41 R44 H190 L203	Y37-E192 WeakPolarHBondContact CB-OE1 3.18Å; V40-E192 HydrophobicContact CB-CG 4.05Å; V40-E192 HydrophobicContact CG1-CB 4.03Å; V40-E192 HydrophobicContact CG1-CG 3.75Å; V40-E192 WeakPolarHBondContact CG1-O 3.22Å; I41-E192 HydrophobicContact CG1-CB 3.82Å; I41-E192 HydrophobicContact CG1-CG 3.68Å; R44-E192 WeakPolarHBondContact CD-O 3.35Å; R44-E192 HydrophobicContact CG-CB 4Å; R44-E192 WeakPolarHBondContact CG-O 3.44Å; R44-E192 PolarHBondContact NH1-O 2.93Å; H190-E192 VanDerWaalsContact C-OE2 3.24Å; H190-E192 VanDerWaalsContact CA-OE2 3.28Å; H190-E192 WeakPolarHBondContact CA-OE2 3.5Å; H190-E192 WeakPolarHBondContact CB-OE2 3.27Å; H190-E192 IonicContact CE1-OE1 2.72Å; H190-E192 IonicContact CG-OE1 2.8Å; H190-E192 IonicContact CG-OE2 3.39Å; H190-E192 IonicContact ND1-OE1 3.62Å; H190-E192 PolarHBondContact ND1-OE1 3.17Å; H190-E192 IonicContact ND1-OE2 3.25Å; H190-E192 PolarHBondContact O-N 3.49Å; E192-L203 HydrophobicContact CB-CD1 4.36Å
193	V	83.6	Confident	91.4	Very high	26 Å²	26	31.4 Å²	31.4	16%	0.158	17%	0.174	C	C	.	.	S	Bend	trans	-90.9	146.9	179.9	-61.7	0	0	0	0	111.2	Y37 L150 H190 L195 T196	Y37-V193 HydrophobicContact CD1-CG1 4.5Å; Y37-V193 HydrophobicContact CE1-CG1 4.27Å; L150-V193 HydrophobicContact CB-CG2 3.93Å; L150-V193 HydrophobicContact CD2-CG2 3.71Å; L150-V193 HydrophobicContact CG-CG2 4.46Å; H190-V193 HydrophobicContact CB-CG1 4.33Å; H190-V193 HydrophobicContact CB-CG2 3.93Å; H190-V193 VanDerWaalsContact O-CG2 3.27Å; H190-V193 WeakPolarHBondContact O-CG2 3.44Å; V193-L195 HydrophobicContact CG2-CB 4.19Å; V193-L195 PolarHBondContact O-N 2.83Å; V193-T196 PolarHBondContact O-N 3.09Å; V193-T196 VanDerWaalsContact O-N 3.15Å
194	G	77.6	Confident	91.4	Very high	77 Å²	77	32.2 Å²	32.2	79%	0.794	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-13.7	177.4	0	0	0	0	0	114.6	T196	G194-T196 PolarHBondContact O-N 2.74Å
195	L	81.5	Confident	91.3	Very high	104 Å²	104	32.8 Å²	32.8	55%	0.545	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-18.2	174	-66.3	174.6	0	0	0	112.8	V128 L150 V193	V128-L195 HydrophobicContact CG2-CB 4.21Å; V128-L195 HydrophobicContact CG2-CD1 4.5Å; L150-L195 HydrophobicContact CB-CB 4.21Å; L150-L195 HydrophobicContact CD1-CD1 4.18Å; L150-L195 HydrophobicContact CD2-CD1 4.27Å; V193-L195 HydrophobicContact CG2-CB 4.19Å; V193-L195 PolarHBondContact O-N 2.83Å
196	T	88.1	Confident	91.3	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.025	18%	0.18	C	C	.	.	S	Bend	trans	-92.6	101	168.4	-61.1	0	0	0	0	107.6	V149 L150 F189 H190 V193 G194 N198 G199	V149-T196 HydrophobicContact CB-CG2 4.07Å; V149-T196 HydrophobicContact CG1-CG2 3.91Å; L150-T196 PolarHBondContact N-OG1 3.23Å; L150-T196 VanDerWaalsContact N-OG1 3.07Å; F189-T196 HydrophobicContact CD2-CG2 4.25Å; F189-T196 HydrophobicContact CE2-CG2 4.37Å; H190-T196 VanDerWaalsContact O-CB 3.32Å; H190-T196 WeakPolarHBondContact O-CB 3.41Å; H190-T196 PolarHBondContact O-OG1 2.7Å; V193-T196 PolarHBondContact O-N 3.09Å; V193-T196 VanDerWaalsContact O-N 3.15Å; G194-T196 PolarHBondContact O-N 2.74Å; T196-N198 VanDerWaalsContact C-N 3.33Å; T196-N198 PolarHBondContact O-N 3.21Å; T196-G199 PolarHBondContact O-N 3.35Å
197	E	86.7	Confident	91.4	Very high	139 Å²	139	32.7 Å²	32.7	65%	0.65	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-48.3	-165.1	-173.3	178.2	175.5	0	0	112.6	V148	V148-E197 PolarHBondContact O-N 3.08Å
198	N	94.1	Very high	91.5	Very high	50 Å²	50	35.7 Å²	35.7	27%	0.267	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	22.4	179.9	-64.6	-49	0	0	0	113.7	L143 E147 T196 K200 V201 I202	L143-N198 HydrophobicContact CD2-CB 3.52Å; E147-N198 WeakPolarHBondContact OE2-CB 3.46Å; E147-N198 PolarHBondContact OE2-ND2 3.08Å; T196-N198 VanDerWaalsContact C-N 3.33Å; T196-N198 PolarHBondContact O-N 3.21Å; N198-K200 PolarHBondContact O-N 2.91Å; N198-V201 HydrophobicContact CB-CG2 4.41Å; N198-V201 WeakPolarHBondContact O-CB 3.28Å; N198-V201 PolarHBondContact O-N 2.94Å; N198-I202 PolarHBondContact O-N 3.49Å
199	G	93.5	Very high	91.7	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.1	-34.8	-179.3	0	0	0	0	0	113.6	P191 T196 V201 I202 L203	P191-G199 CarbonylContact O-C 3.6Å; P191-G199 WeakPolarHBondContact O-CA 3.42Å; T196-G199 PolarHBondContact O-N 3.35Å; G199-V201 VanDerWaalsContact C-N 3.3Å; G199-V201 PolarHBondContact O-N 2.88Å; G199-I202 WeakPolarHBondContact O-CB 3.42Å; G199-I202 PolarHBondContact O-N 3.47Å; G199-L203 PolarHBondContact O-N 3.4Å; G199-L203 VanDerWaalsContact O-N 3.09Å
200	K	93.3	Very high	92.1	Very high	104 Å²	104	41.3 Å²	41.3	45%	0.452	22%	0.222	S	C	.	.	H	α-helix	trans	-63.6	-34	175.1	-169.4	169.4	-174.5	167.2	0	112.8	L48 N198 K204	L48-K200 HydrophobicContact CD2-CD 4.48Å; L48-K200 HydrophobicContact CD2-CG 4.02Å; L48-K200 HydrophobicContact CG-CG 4.46Å; N198-K200 PolarHBondContact O-N 2.91Å; K200-K204 WeakPolarHBondContact O-CB 3.13Å; K200-K204 PolarHBondContact O-N 2.89Å
201	V	95.6	Very high	92.4	Very high	50 Å²	50	41.9 Å²	41.9	30%	0.303	23%	0.227	S	C	.	.	H	α-helix	trans	-69	-41.7	176.7	-179.6	0	0	0	0	110.1	L143 N198 G199 L203 K204 N205	L143-V201 HydrophobicContact CD2-CB 3.92Å; L143-V201 HydrophobicContact CD2-CG1 3.78Å; L143-V201 HydrophobicContact CD2-CG2 4.49Å; L143-V201 HydrophobicContact CG-CG1 4.42Å; N198-V201 HydrophobicContact CB-CG2 4.41Å; N198-V201 WeakPolarHBondContact O-CB 3.28Å; N198-V201 PolarHBondContact O-N 2.94Å; G199-V201 VanDerWaalsContact C-N 3.3Å; G199-V201 PolarHBondContact O-N 2.88Å; V201-L203 PolarHBondContact O-N 3.37Å; V201-K204 WeakPolarHBondContact O-CB 3.47Å; V201-K204 PolarHBondContact O-N 3.37Å; V201-N205 VanDerWaalsContact O-CG 3.24Å; V201-N205 PolarHBondContact O-N 3.17Å; V201-N205 PolarHBondContact O-OD1 2.97Å
202	I	96.8	Very high	92.5	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-58.8	-49.5	176.5	-65.8	170.3	0	0	0	111.1	L139 F140 L143 F189 P191 N198 G199 K204 N205 F206	L139-I202 HydrophobicContact CD1-CG2 3.8Å; L139-I202 HydrophobicContact CD2-CG2 4.25Å; L139-I202 HydrophobicContact CG-CG2 3.9Å; F140-I202 HydrophobicContact CD1-CD1 4.26Å; F140-I202 HydrophobicContact CD1-CG1 4.1Å; F140-I202 HydrophobicContact CE1-CD1 4.03Å; F140-I202 HydrophobicContact CE1-CG1 4.23Å; F140-I202 HydrophobicContact CE1-CG2 4.42Å; L143-I202 HydrophobicContact CD1-CD1 4.09Å; L143-I202 HydrophobicContact CD1-CG1 3.68Å; F189-I202 HydrophobicContact CE2-CD1 3.64Å; F189-I202 HydrophobicContact CZ-CD1 3.95Å; P191-I202 HydrophobicContact CB-CB 4.12Å; P191-I202 HydrophobicContact CB-CD1 4.4Å; P191-I202 HydrophobicContact CB-CG2 3.98Å; P191-I202 HydrophobicContact CG-CG2 4.43Å; N198-I202 PolarHBondContact O-N 3.49Å; G199-I202 WeakPolarHBondContact O-CB 3.42Å; G199-I202 PolarHBondContact O-N 3.47Å; I202-K204 VanDerWaalsContact C-N 3.31Å; I202-K204 PolarHBondContact O-N 3.44Å; I202-N205 PolarHBondContact O-N 2.89Å; I202-F206 PolarHBondContact O-N 3.47Å; I202-F206 VanDerWaalsContact O-N 3.1Å
203	L	96.6	Very high	92.7	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.5	-38.6	176.9	-68.2	175.3	0	0	0	111.6	R44 L48 L101 P191 E192 G199 V201 F206 L207	R44-L203 HydrophobicContact CB-CD1 3.56Å; R44-L203 HydrophobicContact CG-CD1 4.14Å; L48-L203 HydrophobicContact CD1-CB 3.76Å; L101-L203 HydrophobicContact CD2-CD2 4Å; P191-L203 HydrophobicContact CB-CG 4.26Å; P191-L203 HydrophobicContact CG-CD2 4.1Å; P191-L203 HydrophobicContact CG-CG 4.37Å; E192-L203 HydrophobicContact CB-CD1 4.36Å; G199-L203 PolarHBondContact O-N 3.4Å; G199-L203 VanDerWaalsContact O-N 3.09Å; V201-L203 PolarHBondContact O-N 3.37Å; L203-F206 PolarHBondContact O-N 3.2Å; L203-L207 WeakPolarHBondContact O-CB 3.34Å; L203-L207 WeakPolarHBondContact O-CG 3.47Å; L203-L207 PolarHBondContact O-N 2.95Å
204	K	96.7	Very high	93	Very high	111 Å²	111	46.3 Å²	46.3	48%	0.483	27%	0.266	S	S	.	.	H	α-helix	trans	-61.1	-46.9	175.9	-172.2	-177.1	178.8	-174.3	0	111.8	L48 K200 V201 I202 F206 L207 Y208	L48-K204 HydrophobicContact CD1-CB 4.23Å; L48-K204 HydrophobicContact CD2-CB 4.15Å; L48-K204 HydrophobicContact CD2-CG 4.36Å; K200-K204 WeakPolarHBondContact O-CB 3.13Å; K200-K204 PolarHBondContact O-N 2.89Å; V201-K204 WeakPolarHBondContact O-CB 3.47Å; V201-K204 PolarHBondContact O-N 3.37Å; I202-K204 VanDerWaalsContact C-N 3.31Å; I202-K204 PolarHBondContact O-N 3.44Å; K204-F206 VanDerWaalsContact C-N 3.29Å; K204-F206 PolarHBondContact O-N 3.2Å; K204-L207 PolarHBondContact O-N 3.38Å; K204-Y208 HydrophobicContact CG-CD2 3.82Å; K204-Y208 HydrophobicContact CG-CE2 4.31Å; K204-Y208 WeakPolarHBondContact O-CB 3.16Å; K204-Y208 WeakPolarHBondContact O-CD2 3.44Å; K204-Y208 PolarHBondContact O-N 3.16Å
205	N	97.1	Very high	93.6	Very high	12 Å²	12	43.4 Å²	43.4	6%	0.064	24%	0.235	C	C	.	.	I	π-helix	trans	-59.3	-41.9	177.6	-66.5	-11.1	0	0	0	111.2	L139 R141 V201 I202 D209 I210	L139-N205 PolarHBondContact O-ND2 2.93Å; R141-N205 PolarHBondContact N-ND2 2.91Å; R141-N205 PolarHBondContact O-ND2 3.35Å; V201-N205 VanDerWaalsContact O-CG 3.24Å; V201-N205 PolarHBondContact O-N 3.17Å; V201-N205 PolarHBondContact O-OD1 2.97Å; I202-N205 PolarHBondContact O-N 2.89Å; N205-D209 WeakPolarHBondContact CA-OD2 3.15Å; N205-D209 WeakPolarHBondContact O-CB 3.27Å; N205-D209 PolarHBondContact O-N 2.84Å; N205-D209 VanDerWaalsContact O-N 3.08Å; N205-D209 PolarHBondContact OD1-OD2 3.45Å; N205-I210 PolarHBondContact O-N 2.9Å
206	F	98.1	Very high	93.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.235	C	C	.	.	I	π-helix	trans	-64.6	-49.3	176.7	-176.7	-106.4	0	0	0	112.8	A71 I73 P99 L101 L139 Y185 I202 L203 K204 I210 A211	A71-F206 HydrophobicContact CB-CE1 3.86Å; A71-F206 HydrophobicContact CB-CZ 3.87Å; I73-F206 HydrophobicContact CD1-CD1 4.42Å; I73-F206 HydrophobicContact CD1-CE1 4.32Å; I73-F206 HydrophobicContact CG1-CD1 4.27Å; I73-F206 HydrophobicContact CG1-CE1 3.75Å; P99-F206 HydrophobicContact CB-CE2 4.09Å; P99-F206 HydrophobicContact CB-CZ 4.25Å; L101-F206 HydrophobicContact CB-CD1 3.99Å; L101-F206 HydrophobicContact CB-CD2 3.84Å; L101-F206 HydrophobicContact CB-CE1 3.74Å; L101-F206 HydrophobicContact CB-CE2 3.59Å; L101-F206 HydrophobicContact CB-CG 4.03Å; L101-F206 HydrophobicContact CB-CZ 3.53Å; L101-F206 HydrophobicContact CD2-CB 4.32Å; L101-F206 HydrophobicContact CD2-CD1 4.11Å; L101-F206 HydrophobicContact CD2-CG 4.05Å; L139-F206 HydrophobicContact CD1-CB 3.91Å; Y185-F206 HydrophobicContact CD2-CD2 4.31Å; Y185-F206 HydrophobicContact CD2-CE2 4.28Å; I202-F206 PolarHBondContact O-N 3.47Å; I202-F206 VanDerWaalsContact O-N 3.1Å; L203-F206 PolarHBondContact O-N 3.2Å; K204-F206 VanDerWaalsContact C-N 3.29Å; K204-F206 PolarHBondContact O-N 3.2Å; F206-I210 HydrophobicContact CD2-CB 4.39Å; F206-I210 HydrophobicContact CD2-CD1 4.17Å; F206-I210 HydrophobicContact CD2-CG2 4.15Å; F206-I210 HydrophobicContact CE2-CG2 4.25Å; F206-I210 WeakPolarHBondContact O-CB 3.48Å; F206-A211 VanDerWaalsContact O-CB 3.28Å; F206-A211 WeakPolarHBondContact O-CB 3.4Å; F206-A211 PolarHBondContact O-N 3.46Å
207	L	97.1	Very high	93.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.24	C	C	.	.	I	π-helix	trans	-71.5	-41.5	-174.7	-63.6	169.1	0	0	0	112.2	V28 V45 L48 V50 L203 K204 A211 G212 C213	V28-L207 HydrophobicContact CB-CD2 4.44Å; V28-L207 HydrophobicContact CG1-CD2 4.4Å; V28-L207 HydrophobicContact CG2-CD2 3.7Å; V45-L207 HydrophobicContact CB-CD1 4.29Å; V45-L207 HydrophobicContact CG1-CD1 3.96Å; V45-L207 HydrophobicContact CG1-CD2 4.04Å; V45-L207 HydrophobicContact CG2-CD1 4.16Å; V45-L207 HydrophobicContact CG2-CD2 4.38Å; L48-L207 HydrophobicContact CB-CD1 4.08Å; L48-L207 HydrophobicContact CD1-CD1 3.74Å; V50-L207 HydrophobicContact CG1-CD2 4.4Å; V50-L207 HydrophobicContact CG2-CB 4.31Å; V50-L207 HydrophobicContact CG2-CD1 4.38Å; L203-L207 WeakPolarHBondContact O-CB 3.34Å; L203-L207 WeakPolarHBondContact O-CG 3.47Å; L203-L207 PolarHBondContact O-N 2.95Å; K204-L207 PolarHBondContact O-N 3.38Å; L207-A211 WeakPolarHBondContact O-CB 3.22Å; L207-G212 PolarHBondContact O-N 3.31Å; L207-C213 WeakPolarHBondContact O-CB 3.39Å; L207-C213 PolarHBondContact O-N 2.86Å; L207-C213 PolarHBondContact O-SG 2.94Å
208	Y	96.1	Very high	93.7	Very high	64 Å²	64	39 Å²	39	25%	0.251	22%	0.22	S	C	.	.	I	π-helix	trans	-92.8	-62	-174.6	-73.1	-93.4	0	0	0	112.1	L48 V50 K204 G212 C213 G215	L48-Y208 HydrophobicContact CB-CE2 4.38Å; L48-Y208 PolarHBondContact O-OH 3.21Å; V50-Y208 HydrophobicContact CG2-CE2 4.34Å; K204-Y208 HydrophobicContact CG-CD2 3.82Å; K204-Y208 HydrophobicContact CG-CE2 4.31Å; K204-Y208 WeakPolarHBondContact O-CB 3.16Å; K204-Y208 WeakPolarHBondContact O-CD2 3.44Å; K204-Y208 PolarHBondContact O-N 3.16Å; Y208-G212 WeakPolarHBondContact O-CA 3.37Å; Y208-G212 PolarHBondContact O-N 3.35Å; Y208-C213 WeakPolarHBondContact CD1-O 3.3Å; Y208-G215 WeakPolarHBondContact OH-CA 3.22Å
209	D	95.2	Very high	93.2	Very high	110 Å²	110	37.5 Å²	37.5	59%	0.588	21%	0.213	S	C	*	.	I	π-helix	trans	-72.7	-36	-170.6	-56.7	-49.5	0	0	0	112.3	N205	N205-D209 WeakPolarHBondContact CA-OD2 3.15Å; N205-D209 WeakPolarHBondContact O-CB 3.27Å; N205-D209 PolarHBondContact O-N 2.84Å; N205-D209 VanDerWaalsContact O-N 3.08Å; N205-D209 PolarHBondContact OD1-OD2 3.45Å
210	I	96.2	Very high	92.8	Very high	8 Å²	8	43 Å²	43	4%	0.041	24%	0.239	C	C	.	.	I	π-helix	trans	-89.9	-52.8	-176.9	-66.3	163.1	0	0	0	111.3	P99 L139 K183 Y185 N205 F206	P99-I210 HydrophobicContact CB-CG2 3.77Å; P99-I210 HydrophobicContact CG-CG2 4.18Å; L139-I210 HydrophobicContact CB-CD1 4.42Å; L139-I210 HydrophobicContact CD1-CD1 4.34Å; K183-I210 HydrophobicContact CB-CG2 4.12Å; K183-I210 HydrophobicContact CD-CG2 4.22Å; K183-I210 HydrophobicContact CG-CG2 4.45Å; K183-I210 PolarHBondContact NZ-O 3.27Å; Y185-I210 HydrophobicContact CD2-CD1 4.08Å; Y185-I210 HydrophobicContact CD2-CG2 4.4Å; Y185-I210 HydrophobicContact CE1-CD1 4.12Å; Y185-I210 HydrophobicContact CE2-CB 4.47Å; Y185-I210 HydrophobicContact CE2-CD1 3.56Å; Y185-I210 HydrophobicContact CE2-CG1 4.09Å; Y185-I210 HydrophobicContact CE2-CG2 3.59Å; N205-I210 PolarHBondContact O-N 2.9Å; F206-I210 HydrophobicContact CD2-CB 4.39Å; F206-I210 HydrophobicContact CD2-CD1 4.17Å; F206-I210 HydrophobicContact CD2-CG2 4.15Å; F206-I210 HydrophobicContact CE2-CG2 4.25Å; F206-I210 WeakPolarHBondContact O-CB 3.48Å
211	A	95.4	Very high	92.4	Very high	12 Å²	12	41.6 Å²	41.6	10%	0.099	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-15.4	-174.4	0	0	0	0	0	114.7	A71 P99 F206 L207	A71-A211 HydrophobicContact CB-CB 3.64Å; P99-A211 HydrophobicContact CG-CB 4.49Å; F206-A211 VanDerWaalsContact O-CB 3.28Å; F206-A211 WeakPolarHBondContact O-CB 3.4Å; F206-A211 PolarHBondContact O-N 3.46Å; L207-A211 WeakPolarHBondContact O-CB 3.22Å
212	G	94	Very high	91.9	Very high	42 Å²	42	40 Å²	40	43%	0.433	23%	0.225	S	C	.	.			trans	69.1	31.7	176.5	0	0	0	0	0	113.8	R70 L207 Y208	R70-G212 PolarHBondContact NH1-O 2.92Å; L207-G212 PolarHBondContact O-N 3.31Å; Y208-G212 WeakPolarHBondContact O-CA 3.37Å; Y208-G212 PolarHBondContact O-N 3.35Å
213	C	93.6	Very high	91.6	Very high	7 Å²	7	40.9 Å²	40.9	5%	0.047	23%	0.229	C	C	.	.			trans	-69	142.9	171.5	-65.2	0	0	0	0	110.5	V50 L207 Y208	V50-C213 HydrophobicContact CB-CB 4.48Å; V50-C213 HydrophobicContact CG1-CB 3.97Å; V50-C213 HydrophobicContact CG2-CB 3.6Å; L207-C213 WeakPolarHBondContact O-CB 3.39Å; L207-C213 PolarHBondContact O-N 2.86Å; L207-C213 PolarHBondContact O-SG 2.94Å; Y208-C213 WeakPolarHBondContact CD1-O 3.3Å
214	S	90.1	Very high	91.2	Very high	74 Å²	74	45.4 Å²	45.4	52%	0.517	25%	0.252	S	S	.	.			trans	-92.1	-9.8	-173.8	45.3	0	0	0	0	114.3	T216	S214-T216 PolarHBondContact OG-OG1 2.99Å
215	G	89.8	Confident	90.8	Very high	15 Å²	15	43.8 Å²	43.8	16%	0.155	25%	0.247	C	C	.	.			trans	73.3	27.4	-177.9	0	0	0	0	0	114.3	F49 Y208 F217	F49-G215 WeakPolarHBondContact CB-O 3.35Å; F49-G215 CarbonylContact O-C 3.57Å; F49-G215 WeakPolarHBondContact O-CA 3.4Å; Y208-G215 WeakPolarHBondContact OH-CA 3.22Å; G215-F217 VanDerWaalsContact C-N 3.32Å
216	T	87.3	Confident	90.4	Very high	88 Å²	88	43.7 Å²	43.7	54%	0.54	25%	0.247	S	C	.	.			trans	-81.2	-7.7	-175.8	44.9	0	0	0	0	113.9	F49 S214 T218 N221	F49-T216 PolarHBondContact O-N 3.31Å; S214-T216 PolarHBondContact OG-OG1 2.99Å; T216-T218 PolarHBondContact O-N 3.08Å; T216-N221 WeakPolarHBondContact O-CB 3.39Å; T216-N221 PolarHBondContact O-ND2 3.04Å
217	F	86.1	Confident	90.1	Very high	27 Å²	27	44.3 Å²	44.3	12%	0.118	25%	0.25	C	C	.	.			trans	-85.3	53.3	-177	-162	-105.9	0	0	0	111.7	R46 F49 Q51 G215 R222	R46-F217 HydrophobicContact CG-CD1 4.28Å; R46-F217 HydrophobicContact CG-CE1 3.99Å; F49-F217 WeakPolarHBondContact O-CA 3.28Å; F49-F217 WeakPolarHBondContact O-CB 3.2Å; F49-F217 PolarHBondContact O-N 2.94Å; Q51-F217 HydrophobicContact CB-CB 4.25Å; Q51-F217 HydrophobicContact CB-CD1 4.39Å; Q51-F217 HydrophobicContact CB-CD2 3.5Å; Q51-F217 VanDerWaalsContact CB-CD2 3.5Å; Q51-F217 HydrophobicContact CB-CE2 3.83Å; Q51-F217 HydrophobicContact CB-CG 3.8Å; Q51-F217 HydrophobicContact CB-CZ 4.41Å; Q51-F217 HydrophobicContact CG-CD2 3.87Å; Q51-F217 HydrophobicContact CG-CE2 3.64Å; Q51-F217 HydrophobicContact CG-CZ 4.12Å; G215-F217 VanDerWaalsContact C-N 3.32Å; F217-R222 HydrophobicContact CD2-CG 3.97Å; F217-R222 VanDerWaalsContact CE1-CD 3.48Å; F217-R222 HydrophobicContact CE1-CG 4.48Å; F217-R222 HydrophobicContact CE2-CG 3.77Å; F217-R222 HydrophobicContact CG-CG 4.43Å; F217-R222 VanDerWaalsContact CZ-CD 3.46Å; F217-R222 HydrophobicContact CZ-CG 4.04Å
218	T	85.7	Confident	89.8	Confident	39 Å²	39	49.8 Å²	49.8	24%	0.239	27%	0.271	C	S	.	.			trans	-80.7	159	175.4	62.3	0	0	0	0	111.1	F49 T216 Q220 N221 R222	F49-T218 HydrophobicContact CB-CG2 4.31Å; F49-T218 HydrophobicContact CD1-CG2 4.13Å; F49-T218 HydrophobicContact CG-CG2 4.27Å; T216-T218 PolarHBondContact O-N 3.08Å; T218-Q220 VanDerWaalsContact C-N 3.26Å; T218-Q220 PolarHBondContact O-N 2.97Å; T218-N221 PolarHBondContact O-N 2.96Å; T218-N221 PolarHBondContact OG1-N 3.04Å; T218-N221 PolarHBondContact OG1-ND2 3.38Å; T218-R222 WeakPolarHBondContact O-CD 3.4Å; T218-R222 WeakPolarHBondContact O-CG 3.28Å; T218-R222 PolarHBondContact O-N 3.45Å; T218-R222 VanDerWaalsContact O-N 3.1Å
219	V	83.6	Confident	89.5	Confident	19 Å²	19	50.5 Å²	50.5	12%	0.115	28%	0.276	C	S	.	.	H	α-helix	trans	-56.9	-43	176.6	178.9	0	0	0	0	110.8	N221 R222 E223 F414 E418 I421 L422	V219-N221 PolarHBondContact O-N 2.99Å; V219-R222 CarbonylContact O-C 3.48Å; V219-R222 PolarHBondContact O-N 3.44Å; V219-E223 PolarHBondContact O-N 2.98Å; V219-F414 HydrophobicContact CG1-CE1 4.42Å; V219-E418 HydrophobicContact CG2-CB 4.29Å; V219-E418 HydrophobicContact CG2-CG 4.39Å; V219-I421 HydrophobicContact CB-CG2 4.31Å; V219-I421 HydrophobicContact CG1-CB 4.48Å; V219-I421 HydrophobicContact CG1-CG2 4.09Å; V219-I421 HydrophobicContact CG2-CG2 4.31Å; V219-L422 HydrophobicContact CG1-CB 4.18Å; V219-L422 HydrophobicContact CG1-CD1 4.36Å
220	Q	84.9	Confident	89.3	Confident	117 Å²	117	45.7 Å²	45.7	55%	0.547	25%	0.25	S	S	.	.	H	α-helix	trans	-60.3	-46.5	178	-171.4	177	23.2	0	0	113.4	T218 R222 E223 L224	T218-Q220 VanDerWaalsContact C-N 3.26Å; T218-Q220 PolarHBondContact O-N 2.97Å; Q220-R222 VanDerWaalsContact C-N 3.28Å; Q220-R222 PolarHBondContact O-N 2.98Å; Q220-E223 WeakPolarHBondContact O-CB 3.21Å; Q220-E223 PolarHBondContact O-N 3.38Å; Q220-L224 WeakPolarHBondContact O-CG 3.44Å; Q220-L224 PolarHBondContact O-N 3.32Å; Q220-L224 VanDerWaalsContact O-N 3.13Å
221	N	85.6	Confident	89.2	Confident	73 Å²	73	50.5 Å²	50.5	39%	0.39	27%	0.271	S	S	.	.	H	α-helix	trans	-66.2	-35.4	178.7	-75.1	-18.8	0	0	0	111.4	T216 T218 V219 L224 E225	T216-N221 WeakPolarHBondContact O-CB 3.39Å; T216-N221 PolarHBondContact O-ND2 3.04Å; T218-N221 PolarHBondContact O-N 2.96Å; T218-N221 PolarHBondContact OG1-N 3.04Å; T218-N221 PolarHBondContact OG1-ND2 3.38Å; V219-N221 PolarHBondContact O-N 2.99Å; N221-L224 PolarHBondContact O-N 3.22Å; N221-E225 WeakPolarHBondContact O-CB 3.28Å; N221-E225 PolarHBondContact O-N 2.98Å
222	R	84.6	Confident	89	Confident	18 Å²	18	56.5 Å²	56.5	7%	0.068	30%	0.297	C	S	.	.	H	α-helix	trans	-72.5	-33.3	176.6	-70.3	160.4	56.7	-164.6	-6.7	112.8	R46 F217 T218 V219 Q220 L224 C226 D413 F414 E418	R46-R222 VanDerWaalsContact NH1-NH2 3.19Å; F217-R222 HydrophobicContact CD2-CG 3.97Å; F217-R222 VanDerWaalsContact CE1-CD 3.48Å; F217-R222 HydrophobicContact CE1-CG 4.48Å; F217-R222 HydrophobicContact CE2-CG 3.77Å; F217-R222 HydrophobicContact CG-CG 4.43Å; F217-R222 VanDerWaalsContact CZ-CD 3.46Å; F217-R222 HydrophobicContact CZ-CG 4.04Å; T218-R222 WeakPolarHBondContact O-CD 3.4Å; T218-R222 WeakPolarHBondContact O-CG 3.28Å; T218-R222 PolarHBondContact O-N 3.45Å; T218-R222 VanDerWaalsContact O-N 3.1Å; V219-R222 CarbonylContact O-C 3.48Å; V219-R222 PolarHBondContact O-N 3.44Å; Q220-R222 VanDerWaalsContact C-N 3.28Å; Q220-R222 PolarHBondContact O-N 2.98Å; R222-L224 VanDerWaalsContact C-N 3.34Å; R222-C226 WeakPolarHBondContact O-CB 3.23Å; R222-C226 PolarHBondContact O-N 3.28Å; R222-D413 PolarHBondContact NH2-O 2.86Å; R222-F414 HydrophobicContact CB-CE1 3.99Å; R222-F414 HydrophobicContact CB-CZ 3.82Å; R222-E418 IonicContact CZ-OE1 3.63Å; R222-E418 IonicContact CZ-OE2 3.64Å; R222-E418 IonicContact NH1-OE1 2.84Å; R222-E418 PolarHBondContact NH1-OE1 2.79Å; R222-E418 IonicContact NH1-OE2 3.73Å; R222-E418 PolarHBondContact NH1-OE2 3.19Å; R222-E418 IonicContact NH2-OE1 3.81Å; R222-E418 IonicContact NH2-OE2 2.96Å; R222-E418 PolarHBondContact NH2-OE2 2.78Å
223	E	89.1	Confident	88.8	Confident	22 Å²	22	61.4 Å²	61.4	10%	0.103	30%	0.302	C	S	.	.	H	α-helix	trans	-58.5	-50.4	169.8	-179.7	-168.2	-170.6	0	0	109.6	V219 Q220 E225 C226 I227 L255 L422 L426	V219-E223 PolarHBondContact O-N 2.98Å; Q220-E223 WeakPolarHBondContact O-CB 3.21Å; Q220-E223 PolarHBondContact O-N 3.38Å; E223-E225 PolarHBondContact O-N 2.97Å; E223-C226 PolarHBondContact O-N 2.87Å; E223-I227 HydrophobicContact CG-CD1 3.84Å; E223-I227 HydrophobicContact CG-CG1 4.49Å; E223-I227 WeakPolarHBondContact O-CB 3.46Å; E223-I227 VanDerWaalsContact O-CG1 3.26Å; E223-I227 WeakPolarHBondContact O-CG1 3.44Å; E223-I227 PolarHBondContact O-N 3.4Å; E223-L255 HydrophobicContact CG-CD1 4.08Å; E223-L422 HydrophobicContact CB-CD1 3.71Å; E223-L422 HydrophobicContact CG-CD1 3.69Å; E223-L426 WeakPolarHBondContact OE1-CD2 3.27Å
224	L	88.8	Confident	88.7	Confident	95 Å²	95	61.2 Å²	61.2	50%	0.497	30%	0.301	S	S	.	.	H	α-helix	trans	-61.3	-43.6	-179.9	-67.3	174.8	0	0	0	112.2	Q220 N221 R222 I227 R228	Q220-L224 WeakPolarHBondContact O-CG 3.44Å; Q220-L224 PolarHBondContact O-N 3.32Å; Q220-L224 VanDerWaalsContact O-N 3.13Å; N221-L224 PolarHBondContact O-N 3.22Å; R222-L224 VanDerWaalsContact C-N 3.34Å; L224-I227 PolarHBondContact O-N 2.89Å; L224-R228 PolarHBondContact O-N 3.34Å
225	E	87.8	Confident	88.7	Confident	78 Å²	78	59.7 Å²	59.7	36%	0.364	30%	0.297	S	S	.	.	H	α-helix	trans	-65.6	-44.1	176.9	-175.6	57.4	-163.4	0	0	111.5	N221 E223 I227 R228 E229	N221-E225 WeakPolarHBondContact O-CB 3.28Å; N221-E225 PolarHBondContact O-N 2.98Å; E223-E225 PolarHBondContact O-N 2.97Å; E225-I227 VanDerWaalsContact C-N 3.33Å; E225-I227 PolarHBondContact O-N 2.92Å; E225-R228 WeakPolarHBondContact O-CA 3.42Å; E225-R228 VanDerWaalsContact O-CB 3.3Å; E225-R228 WeakPolarHBondContact O-CB 3.43Å; E225-R228 PolarHBondContact O-N 3.03Å; E225-R228 IonicContact OE1-CZ 3.78Å; E225-R228 VanDerWaalsContact OE1-CZ 3.29Å; E225-R228 IonicContact OE1-NE 2.98Å; E225-R228 PolarHBondContact OE1-NE 3.39Å; E225-R228 VanDerWaalsContact OE1-NE 3.12Å; E225-R228 IonicContact OE1-NH2 3.91Å; E225-R228 PolarHBondContact OE1-NH2 3.25Å; E225-R228 IonicContact OE2-CZ 3.55Å; E225-R228 IonicContact OE2-NE 2.9Å; E225-R228 PolarHBondContact OE2-NE 3.44Å; E225-R228 IonicContact OE2-NH2 3.78Å; E225-E229 WeakPolarHBondContact O-CG 3.44Å; E225-E229 PolarHBondContact O-N 3.4Å
226	C	88.9	Confident	88.8	Confident	10 Å²	10	65.5 Å²	65.5	7%	0.068	33%	0.329	C	S	.	.	H	α-helix	trans	-61.5	-41.1	175.9	-169.8	0	0	0	0	111.5	R222 E223 R228 E229 I230 P410 F414	R222-C226 WeakPolarHBondContact O-CB 3.23Å; R222-C226 PolarHBondContact O-N 3.28Å; E223-C226 PolarHBondContact O-N 2.87Å; C226-R228 VanDerWaalsContact C-N 3.29Å; C226-R228 PolarHBondContact O-N 3.49Å; C226-E229 PolarHBondContact O-N 3.1Å; C226-I230 WeakPolarHBondContact O-CB 3.44Å; C226-I230 WeakPolarHBondContact O-CD1 3.26Å; C226-I230 WeakPolarHBondContact O-CG1 3.46Å; C226-I230 PolarHBondContact O-N 3.41Å; C226-P410 PolarHBondContact SG-O 3.43Å; C226-P410 VanDerWaalsContact SG-O 3.42Å; C226-F414 HydrophobicContact CB-CE2 4.43Å
227	I	92.1	Very high	88.9	Confident	12 Å²	12	62.7 Å²	62.7	6%	0.062	31%	0.314	C	S	.	.	H	α-helix	trans	-59.8	-41.4	173.5	-72.9	166.7	0	0	0	110.9	E223 L224 E225 K231 L255 R258 A259	E223-I227 HydrophobicContact CG-CD1 3.84Å; E223-I227 HydrophobicContact CG-CG1 4.49Å; E223-I227 WeakPolarHBondContact O-CB 3.46Å; E223-I227 VanDerWaalsContact O-CG1 3.26Å; E223-I227 WeakPolarHBondContact O-CG1 3.44Å; E223-I227 PolarHBondContact O-N 3.4Å; L224-I227 PolarHBondContact O-N 2.89Å; E225-I227 VanDerWaalsContact C-N 3.33Å; E225-I227 PolarHBondContact O-N 2.92Å; I227-K231 HydrophobicContact CG2-CD 4.26Å; I227-K231 WeakPolarHBondContact O-CG 3.42Å; I227-K231 PolarHBondContact O-N 2.93Å; I227-K231 VanDerWaalsContact O-N 3.07Å; I227-L255 HydrophobicContact CG1-CD1 4.04Å; I227-R258 HydrophobicContact CD1-CG 3.88Å; I227-A259 HydrophobicContact CB-CB 4.29Å; I227-A259 HydrophobicContact CG1-CB 4.1Å; I227-A259 HydrophobicContact CG2-CB 3.98Å
228	R	91.7	Very high	89.1	Confident	116 Å²	116	66.1 Å²	66.1	44%	0.438	33%	0.328	S	S	.	.	H	α-helix	trans	-63.6	-49.8	177.9	-168.4	-167.8	71.4	69.5	5	110.8	L224 E225 C226 I230 K231 E232	L224-R228 PolarHBondContact O-N 3.34Å; E225-R228 WeakPolarHBondContact O-CA 3.42Å; E225-R228 VanDerWaalsContact O-CB 3.3Å; E225-R228 WeakPolarHBondContact O-CB 3.43Å; E225-R228 PolarHBondContact O-N 3.03Å; E225-R228 IonicContact OE1-CZ 3.78Å; E225-R228 VanDerWaalsContact OE1-CZ 3.29Å; E225-R228 IonicContact OE1-NE 2.98Å; E225-R228 PolarHBondContact OE1-NE 3.39Å; E225-R228 VanDerWaalsContact OE1-NE 3.12Å; E225-R228 IonicContact OE1-NH2 3.91Å; E225-R228 PolarHBondContact OE1-NH2 3.25Å; E225-R228 IonicContact OE2-CZ 3.55Å; E225-R228 IonicContact OE2-NE 2.9Å; E225-R228 PolarHBondContact OE2-NE 3.44Å; E225-R228 IonicContact OE2-NH2 3.78Å; C226-R228 VanDerWaalsContact C-N 3.29Å; C226-R228 PolarHBondContact O-N 3.49Å; R228-I230 PolarHBondContact O-N 3.12Å; R228-K231 PolarHBondContact O-N 3.16Å; R228-E232 IonicContact CZ-OE2 3.33Å; R228-E232 IonicContact NH1-OE2 3.98Å; R228-E232 PolarHBondContact NH1-OE2 2.95Å; R228-E232 WeakPolarHBondContact O-CB 3.28Å; R228-E232 PolarHBondContact O-N 2.95Å
229	E	88.9	Confident	89.4	Confident	78 Å²	78	64.2 Å²	64.2	36%	0.364	32%	0.317	S	S	.	.	H	α-helix	trans	-59.9	-43.6	177.4	-71.5	-177.4	177.6	0	0	112.2	E225 C226 K231 E232 R233	E225-E229 WeakPolarHBondContact O-CG 3.44Å; E225-E229 PolarHBondContact O-N 3.4Å; C226-E229 PolarHBondContact O-N 3.1Å; E229-K231 PolarHBondContact O-N 2.96Å; E229-E232 PolarHBondContact O-N 3.5Å; E229-R233 VanDerWaalsContact O-CB 3.28Å; E229-R233 WeakPolarHBondContact O-CB 3.42Å; E229-R233 PolarHBondContact O-N 3.44Å
230	I	92.1	Very high	89.7	Confident	10 Å²	10	63.5 Å²	63.5	5%	0.051	31%	0.312	C	S	.	.	H	α-helix	trans	-59.6	-47.8	176.6	-69.8	166.4	0	0	0	110	C226 R228 E232 R233 V234 L255 L256 A259 L260 P410	C226-I230 WeakPolarHBondContact O-CB 3.44Å; C226-I230 WeakPolarHBondContact O-CD1 3.26Å; C226-I230 WeakPolarHBondContact O-CG1 3.46Å; C226-I230 PolarHBondContact O-N 3.41Å; R228-I230 PolarHBondContact O-N 3.12Å; I230-E232 PolarHBondContact O-N 2.82Å; I230-R233 PolarHBondContact O-N 3.04Å; I230-V234 HydrophobicContact CG2-CG2 4.18Å; I230-V234 WeakPolarHBondContact O-CB 3.31Å; I230-V234 WeakPolarHBondContact O-CG2 3.44Å; I230-V234 PolarHBondContact O-N 3.04Å; I230-L255 HydrophobicContact CD1-CD2 4.26Å; I230-L255 HydrophobicContact CD1-CG 4.15Å; I230-L256 HydrophobicContact CD1-CD2 4.23Å; I230-L256 HydrophobicContact CG2-CD2 4.05Å; I230-A259 HydrophobicContact CB-CB 4.2Å; I230-A259 HydrophobicContact CD1-CB 4.29Å; I230-A259 HydrophobicContact CG2-CB 3.86Å; I230-L260 HydrophobicContact CG2-CD1 4.07Å; I230-L260 HydrophobicContact CG2-CD2 4.12Å; I230-L260 HydrophobicContact CG2-CG 4.04Å; I230-P410 HydrophobicContact CD1-CB 3.96Å; I230-P410 HydrophobicContact CD1-CG 4.11Å; I230-P410 HydrophobicContact CG1-CG 4.44Å
231	K	93.1	Very high	90	Very high	108 Å²	108	58 Å²	58	47%	0.47	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-44.1	179.1	-76.2	176	176.2	-177	0	112.3	I227 R228 E229 G235 A259 L260	I227-K231 HydrophobicContact CG2-CD 4.26Å; I227-K231 WeakPolarHBondContact O-CG 3.42Å; I227-K231 PolarHBondContact O-N 2.93Å; I227-K231 VanDerWaalsContact O-N 3.07Å; R228-K231 PolarHBondContact O-N 3.16Å; E229-K231 PolarHBondContact O-N 2.96Å; K231-G235 WeakPolarHBondContact O-CA 3.43Å; K231-G235 PolarHBondContact O-N 2.91Å; K231-A259 WeakPolarHBondContact CE-O 3.48Å; K231-A259 WeakPolarHBondContact CG-O 3.49Å; K231-L260 HydrophobicContact CG-CD2 4.45Å
232	E	91.8	Very high	90.1	Very high	138 Å²	138	56 Å²	56	65%	0.645	28%	0.276	S	S	*	.	H	α-helix	trans	-66	-41.2	-179.6	-175.2	163.9	-164.2	0	0	111.7	R228 E229 I230	R228-E232 IonicContact CZ-OE2 3.33Å; R228-E232 IonicContact NH1-OE2 3.98Å; R228-E232 PolarHBondContact NH1-OE2 2.95Å; R228-E232 WeakPolarHBondContact O-CB 3.28Å; R228-E232 PolarHBondContact O-N 2.95Å; E229-E232 PolarHBondContact O-N 3.5Å; I230-E232 PolarHBondContact O-N 2.82Å
233	R	88.9	Confident	90.3	Very high	145 Å²	145	55.2 Å²	55.2	55%	0.547	27%	0.273	S	S	.	.	H	α-helix	trans	-74.4	-41.3	-180	-175.9	59.5	176.7	-146.2	5.9	113.3	E229 I230 F363 G405 I408	E229-R233 VanDerWaalsContact O-CB 3.28Å; E229-R233 WeakPolarHBondContact O-CB 3.42Å; E229-R233 PolarHBondContact O-N 3.44Å; I230-R233 PolarHBondContact O-N 3.04Å; R233-F363 HydrophobicContact CG-CE1 4.18Å; R233-F363 WeakPolarHBondContact O-CZ 3.17Å; R233-G405 PolarHBondContact NH2-O 3.48Å; R233-I408 HydrophobicContact CG-CG2 4.03Å
234	V	91.8	Very high	89.8	Confident	4 Å²	4	57 Å²	57	2%	0.024	29%	0.287	C	S	.	.	H	α-helix	trans	-86.2	-35.6	-172.8	174.4	0	0	0	0	111.9	I230 T236 S237 V239 L260 F363 I408	I230-V234 HydrophobicContact CG2-CG2 4.18Å; I230-V234 WeakPolarHBondContact O-CB 3.31Å; I230-V234 WeakPolarHBondContact O-CG2 3.44Å; I230-V234 PolarHBondContact O-N 3.04Å; V234-T236 PolarHBondContact O-N 3.37Å; V234-S237 WeakPolarHBondContact CG1-O 3.06Å; V234-S237 WeakPolarHBondContact O-CB 2.98Å; V234-S237 PolarHBondContact O-N 3.25Å; V234-S237 VanDerWaalsContact O-N 3.07Å; V234-V239 HydrophobicContact CB-CG2 4.26Å; V234-V239 HydrophobicContact CG1-CG2 3.4Å; V234-V239 HydrophobicContact CG2-CG2 3.78Å; V234-L260 HydrophobicContact CB-CD2 4.28Å; V234-L260 HydrophobicContact CG1-CD1 3.98Å; V234-L260 HydrophobicContact CG1-CD2 4.14Å; V234-F363 HydrophobicContact CG1-CD2 4.44Å; V234-F363 HydrophobicContact CG2-CD2 4.48Å; V234-F363 HydrophobicContact CG2-CG 4.49Å; V234-I408 HydrophobicContact CG2-CD1 3.82Å
235	G	91.1	Very high	89.1	Confident	41 Å²	41	52.6 Å²	52.6	42%	0.423	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	-121.2	-173.6	0	0	0	0	0	111.9	K231 Q264	K231-G235 WeakPolarHBondContact O-CA 3.43Å; K231-G235 PolarHBondContact O-N 2.91Å; G235-Q264 PolarHBondContact O-NE2 2.84Å
236	T	90.3	Very high	88.8	Confident	137 Å²	137	49.9 Å²	49.9	84%	0.84	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-0.7	179.5	55.3	0	0	0	0	113.9	V234	V234-T236 PolarHBondContact O-N 3.37Å
237	S	90.5	Very high	88.6	Confident	30 Å²	30	49.7 Å²	49.7	21%	0.21	26%	0.257	C	S	.	.	S	Bend	trans	-64.9	158.4	178.1	-65.4	0	0	0	0	111.8	V234 Q264 E361	V234-S237 WeakPolarHBondContact CG1-O 3.06Å; V234-S237 WeakPolarHBondContact O-CB 2.98Å; V234-S237 PolarHBondContact O-N 3.25Å; V234-S237 VanDerWaalsContact O-N 3.07Å; S237-Q264 PolarHBondContact O-NE2 3.33Å; S237-E361 WeakPolarHBondContact CB-O 3.14Å
238	K	90.5	Very high	88.4	Confident	98 Å²	98	51 Å²	51	43%	0.426	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	149	173.2	-57.9	-164.2	-178	-175.4	0	110.2	Q264 I266 L357 E361 V362 F363	K238-Q264 CarbonylContact C-O 3.17Å; K238-Q264 WeakPolarHBondContact CA-O 3.43Å; K238-I266 HydrophobicContact CB-CD1 4.35Å; K238-I266 HydrophobicContact CD-CD1 3.84Å; K238-L357 HydrophobicContact CD-CD2 4.33Å; K238-E361 PolarHBondContact N-O 3.16Å; K238-V362 HydrophobicContact CB-CG2 4.28Å; K238-V362 CarbonylContact O-C 3.49Å; K238-V362 WeakPolarHBondContact O-CA 3.49Å; K238-F363 PolarHBondContact O-N 2.62Å
239	V	92.3	Very high	88.2	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	115.9	176.2	-172.8	0	0	0	0	108.8	V234 L256 L260 Q264 I266 F363 A365 I408	V234-V239 HydrophobicContact CB-CG2 4.26Å; V234-V239 HydrophobicContact CG1-CG2 3.4Å; V234-V239 HydrophobicContact CG2-CG2 3.78Å; V239-L256 HydrophobicContact CG1-CD1 3.99Å; V239-L256 HydrophobicContact CG1-CD2 4.12Å; V239-L260 HydrophobicContact CB-CD1 4.25Å; V239-L260 HydrophobicContact CG2-CD1 3.47Å; V239-L260 VanDerWaalsContact CG2-CD1 3.47Å; V239-Q264 PolarHBondContact N-O 2.98Å; V239-I266 PolarHBondContact O-N 3.43Å; V239-F363 CarbonylContact C-O 3.38Å; V239-F363 WeakPolarHBondContact CA-O 3.39Å; V239-F363 HydrophobicContact CG1-CB 4.44Å; V239-F363 HydrophobicContact CG2-CB 4.25Å; V239-A365 HydrophobicContact CG1-CB 3.65Å; V239-I408 HydrophobicContact CG1-CD1 4.08Å
240	L	89.8	Confident	88.3	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	131.2	170.9	-175.6	75	0	0	0	109.4	L242 I266 V268 I352 L357 V362 F363 L364 A365	L240-L242 HydrophobicContact CD2-CD2 4.45Å; L240-I266 WeakPolarHBondContact CA-O 3.3Å; L240-I266 HydrophobicContact CD1-CB 3.97Å; L240-I266 HydrophobicContact CD1-CG2 3.63Å; L240-V268 HydrophobicContact CD1-CG2 3.78Å; L240-I352 HydrophobicContact CD2-CD1 3.46Å; L240-I352 VanDerWaalsContact CD2-CD1 3.46Å; L240-I352 HydrophobicContact CD2-CG1 3.42Å; L240-I352 VanDerWaalsContact CD2-CG1 3.42Å; L240-L357 HydrophobicContact CD1-CD1 4.39Å; L240-V362 HydrophobicContact CB-CG1 4.06Å; L240-F363 PolarHBondContact N-O 2.75Å; L240-L364 HydrophobicContact CD2-CD1 4.24Å; L240-L364 HydrophobicContact CG-CD1 4.49Å; L240-L364 CarbonylContact O-C 3.45Å; L240-L364 WeakPolarHBondContact O-CA 3.32Å; L240-A365 PolarHBondContact O-N 3.12Å
241	V	90.4	Very high	88.3	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.5	171.5	60.7	0	0	0	0	109.9	L243 T253 L256 V265 I266 A267 V268 A365	V241-L243 PolarHBondContact O-N 2.91Å; V241-T253 HydrophobicContact CG1-CG2 3.96Å; V241-T253 WeakPolarHBondContact CG1-OG1 3.19Å; V241-L256 HydrophobicContact CB-CD1 4.11Å; V241-L256 HydrophobicContact CG1-CD1 4.41Å; V241-L256 HydrophobicContact CG2-CD1 4.43Å; V241-V265 HydrophobicContact CG1-CG1 4.47Å; V241-I266 PolarHBondContact N-O 2.89Å; V241-A267 HydrophobicContact CG1-CB 3.9Å; V241-V268 PolarHBondContact O-N 3.49Å; V241-A365 HydrophobicContact CB-CB 4.31Å; V241-A365 HydrophobicContact CG2-CB 4.48Å
242	L	87.8	Confident	88.3	Confident	30 Å²	30	36.7 Å²	36.7	16%	0.157	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	99.6	175.7	-60.3	178.6	0	0	0	108.9	L240 S244 V268 F344 A348 L364	L240-L242 HydrophobicContact CD2-CD2 4.45Å; L242-S244 PolarHBondContact O-N 3.46Å; L242-V268 CarbonylContact C-O 3.55Å; L242-V268 HydrophobicContact CD2-CB 4.32Å; L242-F344 HydrophobicContact CB-CZ 4.16Å; L242-F344 HydrophobicContact CD1-CE1 3.98Å; L242-F344 HydrophobicContact CD1-CZ 4.25Å; L242-A348 HydrophobicContact CD1-CB 4.01Å; L242-A348 HydrophobicContact CD2-CB 4.19Å; L242-L364 HydrophobicContact CD1-CD1 4.39Å; L242-L364 HydrophobicContact CG-CD1 4.21Å
243	L	88.1	Confident	88.4	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	112.9	-177	-175.9	69.6	0	0	0	110.1	V241 V268 H269 V283 L287 V294	V241-L243 PolarHBondContact O-N 2.91Å; L243-V268 PolarHBondContact N-O 2.81Å; L243-H269 HydrophobicContact CB-CB 4.23Å; L243-H269 HydrophobicContact CD2-CB 4.17Å; L243-H269 PolarHBondContact O-ND1 2.9Å; L243-V283 HydrophobicContact CD2-CG1 3.87Å; L243-L287 HydrophobicContact CD1-CD1 4.2Å; L243-L287 HydrophobicContact CD2-CD1 3.39Å; L243-L287 HydrophobicContact CG-CD1 4.47Å; L243-V294 HydrophobicContact CD2-CG1 4Å; L243-V294 HydrophobicContact CD2-CG2 4.4Å
244	S	79.7	Confident	88.6	Confident	59 Å²	59	23.4 Å²	23.4	41%	0.413	15%	0.15	S	C	.	.			trans	-83.6	-18.4	175.4	66.7	0	0	0	0	113	L242 G246 S249 M275	L242-S244 PolarHBondContact O-N 3.46Å; S244-G246 VanDerWaalsContact C-N 3.35Å; S244-G246 PolarHBondContact OG-N 2.95Å; S244-S249 PolarHBondContact N-OG 2.97Å; S244-S249 PolarHBondContact OG-OG 3.44Å; S244-S249 VanDerWaalsContact OG-OG 3.09Å; S244-M275 VanDerWaalsContact O-CE 3.31Å; S244-M275 WeakPolarHBondContact O-CE 3.44Å
245	G	74.5	Confident	88.7	Confident	3 Å²	3	23.2 Å²	23.2	3%	0.031	15%	0.149	C	C	.	.	S	Bend	trans	90.6	-4	-174.1	0	0	0	0	0	113.9	S249	G245-S249 PolarHBondContact N-OG 3.38Å
246	G	81.1	Confident	88.9	Confident	21 Å²	21	21.3 Å²	21.3	22%	0.216	13%	0.129	C	C	.	.	S	Bend	trans	-76.1	156.8	168.5	0	0	0	0	0	112.1	S244 D248 S249 T250	S244-G246 VanDerWaalsContact C-N 3.35Å; S244-G246 PolarHBondContact OG-N 2.95Å; G246-D248 VanDerWaalsContact C-N 3.27Å; G246-D248 PolarHBondContact O-N 2.88Å; G246-S249 PolarHBondContact N-OG 3.14Å; G246-S249 PolarHBondContact O-N 2.71Å; G246-S249 VanDerWaalsContact O-N 3.15Å; G246-S249 PolarHBondContact O-OG 2.81Å; G246-T250 PolarHBondContact O-N 2.99Å; G246-T250 PolarHBondContact O-OG1 2.98Å; G246-T250 VanDerWaalsContact O-OG1 3.13Å
247	V	85.3	Confident	89	Confident	7 Å²	7	16.1 Å²	16.1	4%	0.042	10%	0.096	C	C	.	.	H	α-helix	trans	-49.2	-46.3	-177.1	-178.3	0	0	0	0	112.3	S249 T250 V251 V419 L432 R435	V247-S249 PolarHBondContact O-N 3.26Å; V247-T250 PolarHBondContact O-N 3.03Å; V247-V251 HydrophobicContact CG1-CG2 4.1Å; V247-V251 WeakPolarHBondContact O-CB 3.19Å; V247-V251 VanDerWaalsContact O-CG2 3.27Å; V247-V251 WeakPolarHBondContact O-CG2 3.15Å; V247-V251 PolarHBondContact O-N 2.91Å; V247-V419 HydrophobicContact CG1-CG1 4.36Å; V247-L432 WeakPolarHBondContact CG2-O 3.49Å; V247-R435 HydrophobicContact CG2-CB 4.1Å
248	D	87.1	Confident	89.2	Confident	39 Å²	39	21.5 Å²	21.5	21%	0.209	11%	0.112	C	C	.	.	H	α-helix	trans	-65.6	-43.7	-174.7	-50.5	-40.9	0	0	0	111.7	G246 T250 V251 C252 G367 L411 K416	G246-D248 VanDerWaalsContact C-N 3.27Å; G246-D248 PolarHBondContact O-N 2.88Å; D248-T250 PolarHBondContact O-N 3.19Å; D248-V251 PolarHBondContact O-N 2.8Å; D248-C252 VanDerWaalsContact O-CB 3.23Å; D248-C252 WeakPolarHBondContact O-CB 3.28Å; D248-C252 PolarHBondContact O-N 2.83Å; D248-G367 WeakPolarHBondContact CB-O 3.14Å; D248-L411 HydrophobicContact CB-CD1 4.29Å; D248-L411 VanDerWaalsContact O-CD1 3.27Å; D248-L411 WeakPolarHBondContact O-CD1 3.21Å; D248-K416 IonicContact OD1-NZ 3.54Å; D248-K416 PolarHBondContact OD1-NZ 3.13Å; D248-K416 IonicContact OD2-NZ 3.27Å; D248-K416 PolarHBondContact OD2-NZ 3.34Å
249	S	87	Confident	89.3	Confident	11 Å²	11	17.1 Å²	17.1	8%	0.077	9%	0.094	C	C	.	.	H	α-helix	trans	-64.3	-40.5	176.2	69	0	0	0	0	111.9	S244 G245 G246 V247 C252 T253	S244-S249 PolarHBondContact N-OG 2.97Å; S244-S249 PolarHBondContact OG-OG 3.44Å; S244-S249 VanDerWaalsContact OG-OG 3.09Å; G245-S249 PolarHBondContact N-OG 3.38Å; G246-S249 PolarHBondContact N-OG 3.14Å; G246-S249 PolarHBondContact O-N 2.71Å; G246-S249 VanDerWaalsContact O-N 3.15Å; G246-S249 PolarHBondContact O-OG 2.81Å; V247-S249 PolarHBondContact O-N 3.26Å; S249-C252 PolarHBondContact O-N 2.93Å; S249-T253 PolarHBondContact O-N 3.48Å; S249-T253 PolarHBondContact O-OG1 2.79Å
250	T	90.8	Very high	89.4	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-68.7	-42.3	179.3	-50.4	0	0	0	0	111.9	G246 V247 D248 T253 A254 V283 L287 L428 L432	G246-T250 PolarHBondContact O-N 2.99Å; G246-T250 PolarHBondContact O-OG1 2.98Å; G246-T250 VanDerWaalsContact O-OG1 3.13Å; V247-T250 PolarHBondContact O-N 3.03Å; D248-T250 PolarHBondContact O-N 3.19Å; T250-T253 PolarHBondContact O-N 3.48Å; T250-A254 WeakPolarHBondContact O-CB 3.38Å; T250-A254 PolarHBondContact O-N 3.38Å; T250-V283 HydrophobicContact CG2-CG1 4.37Å; T250-L287 HydrophobicContact CG2-CD1 4.23Å; T250-L287 HydrophobicContact CG2-CD2 3.79Å; T250-L287 HydrophobicContact CG2-CG 4.04Å; T250-L428 HydrophobicContact CG2-CD1 4.04Å; T250-L428 HydrophobicContact CG2-CD2 3.72Å; T250-L432 HydrophobicContact CG2-CD1 4.09Å; T250-L432 HydrophobicContact CG2-CD2 3.7Å
251	V	92.3	Very high	89.5	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.6	-42.1	176.1	173.9	0	0	0	0	110.6	V247 D248 T253 A254 L255 L411 V419 L422 L426 L428	V247-V251 HydrophobicContact CG1-CG2 4.1Å; V247-V251 WeakPolarHBondContact O-CB 3.19Å; V247-V251 VanDerWaalsContact O-CG2 3.27Å; V247-V251 WeakPolarHBondContact O-CG2 3.15Å; V247-V251 PolarHBondContact O-N 2.91Å; D248-V251 PolarHBondContact O-N 2.8Å; V251-T253 PolarHBondContact O-N 3.12Å; V251-A254 PolarHBondContact O-N 2.84Å; V251-L255 WeakPolarHBondContact O-CB 3.44Å; V251-L255 PolarHBondContact O-N 3.09Å; V251-L411 HydrophobicContact CB-CD1 4.46Å; V251-L411 HydrophobicContact CG1-CD1 4.42Å; V251-L411 HydrophobicContact CG1-CD2 4.23Å; V251-V419 HydrophobicContact CB-CG1 3.95Å; V251-V419 HydrophobicContact CG1-CG1 3.99Å; V251-V419 HydrophobicContact CG2-CG1 3.93Å; V251-L422 HydrophobicContact CG1-CB 4.36Å; V251-L422 HydrophobicContact CG1-CD2 3.93Å; V251-L422 HydrophobicContact CG1-CG 4.08Å; V251-L426 HydrophobicContact CG1-CD1 4.05Å; V251-L428 HydrophobicContact CB-CD1 4.49Å; V251-L428 HydrophobicContact CG2-CD1 3.77Å
252	C	92.8	Very high	89.3	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58.7	-46.9	174.3	-177.9	0	0	0	0	111.4	D248 S249 A254 L255 L256 L411	D248-C252 VanDerWaalsContact O-CB 3.23Å; D248-C252 WeakPolarHBondContact O-CB 3.28Å; D248-C252 PolarHBondContact O-N 2.83Å; S249-C252 PolarHBondContact O-N 2.93Å; C252-A254 PolarHBondContact O-N 2.92Å; C252-L255 PolarHBondContact O-N 3.25Å; C252-L256 VanDerWaalsContact O-CG 3.28Å; C252-L256 WeakPolarHBondContact O-CG 3.37Å; C252-L256 PolarHBondContact O-N 2.85Å; C252-L411 HydrophobicContact CB-CD1 3.98Å; C252-L411 HydrophobicContact CB-CG 4.27Å
253	T	93.5	Very high	89.3	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61	-43.5	175.8	-55.8	0	0	0	0	112.3	V241 S249 T250 V251 L256 N257 A267 L287 I292	V241-T253 HydrophobicContact CG1-CG2 3.96Å; V241-T253 WeakPolarHBondContact CG1-OG1 3.19Å; S249-T253 PolarHBondContact O-N 3.48Å; S249-T253 PolarHBondContact O-OG1 2.79Å; T250-T253 PolarHBondContact O-N 3.48Å; V251-T253 PolarHBondContact O-N 3.12Å; T253-L256 PolarHBondContact O-N 3.27Å; T253-N257 PolarHBondContact O-N 3.05Å; T253-N257 VanDerWaalsContact O-N 3.08Å; T253-A267 HydrophobicContact CG2-CB 3.79Å; T253-L287 HydrophobicContact CG2-CD1 4.48Å; T253-L287 HydrophobicContact CG2-CD2 4.44Å; T253-I292 HydrophobicContact CG2-CG2 3.81Å
254	A	93.9	Very high	89.4	Confident	5 Å²	5	35.3 Å²	35.3	4%	0.041	19%	0.186	C	C	.	.	H	α-helix	trans	-64	-41	177.7	0	0	0	0	0	112.2	T250 V251 C252 N257 R258 I292 L426 L428	T250-A254 WeakPolarHBondContact O-CB 3.38Å; T250-A254 PolarHBondContact O-N 3.38Å; V251-A254 PolarHBondContact O-N 2.84Å; C252-A254 PolarHBondContact O-N 2.92Å; A254-N257 PolarHBondContact O-N 3.38Å; A254-R258 WeakPolarHBondContact O-CB 3.46Å; A254-R258 PolarHBondContact O-N 2.98Å; A254-I292 HydrophobicContact CB-CD1 4.3Å; A254-L426 HydrophobicContact CB-CB 4.17Å; A254-L426 HydrophobicContact CB-CD1 4.03Å; A254-L428 HydrophobicContact CB-CD1 4.08Å; A254-L428 HydrophobicContact CB-CG 4.34Å
255	L	94.4	Very high	90.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.5	-44.1	177.8	-175.9	63.1	0	0	0	111.9	E223 I227 I230 V251 C252 N257 R258 A259 P410 L411 L422 L426	E223-L255 HydrophobicContact CG-CD1 4.08Å; I227-L255 HydrophobicContact CG1-CD1 4.04Å; I230-L255 HydrophobicContact CD1-CD2 4.26Å; I230-L255 HydrophobicContact CD1-CG 4.15Å; V251-L255 WeakPolarHBondContact O-CB 3.44Å; V251-L255 PolarHBondContact O-N 3.09Å; C252-L255 PolarHBondContact O-N 3.25Å; L255-N257 VanDerWaalsContact C-N 3.34Å; L255-N257 PolarHBondContact O-N 3.47Å; L255-R258 WeakPolarHBondContact O-CB 3.23Å; L255-R258 PolarHBondContact O-N 2.96Å; L255-A259 WeakPolarHBondContact O-CB 3.27Å; L255-A259 PolarHBondContact O-N 3.15Å; L255-P410 HydrophobicContact CD2-CB 3.87Å; L255-L411 HydrophobicContact CD2-CD2 4.09Å; L255-L422 HydrophobicContact CD2-CD2 4.31Å; L255-L426 HydrophobicContact CB-CD1 3.95Å; L255-L426 HydrophobicContact CD1-CD1 4.39Å; L255-L426 HydrophobicContact CD1-CD2 4.28Å
256	L	94.1	Very high	90.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.1	-43.1	175.7	-69.5	167.5	0	0	0	111.5	I230 V239 V241 C252 T253 R258 A259 L260 V265 A365 I408 P410	I230-L256 HydrophobicContact CD1-CD2 4.23Å; I230-L256 HydrophobicContact CG2-CD2 4.05Å; V239-L256 HydrophobicContact CG1-CD1 3.99Å; V239-L256 HydrophobicContact CG1-CD2 4.12Å; V241-L256 HydrophobicContact CB-CD1 4.11Å; V241-L256 HydrophobicContact CG1-CD1 4.41Å; V241-L256 HydrophobicContact CG2-CD1 4.43Å; C252-L256 VanDerWaalsContact O-CG 3.28Å; C252-L256 WeakPolarHBondContact O-CG 3.37Å; C252-L256 PolarHBondContact O-N 2.85Å; T253-L256 PolarHBondContact O-N 3.27Å; L256-R258 VanDerWaalsContact C-N 3.29Å; L256-R258 PolarHBondContact O-N 3.49Å; L256-A259 PolarHBondContact O-N 3.14Å; L256-L260 HydrophobicContact CD2-CD1 4.46Å; L256-L260 WeakPolarHBondContact O-CB 3.27Å; L256-L260 PolarHBondContact O-N 3.35Å; L256-V265 HydrophobicContact CB-CG1 4.19Å; L256-V265 HydrophobicContact CB-CG2 4.12Å; L256-A365 HydrophobicContact CD1-CB 3.43Å; L256-A365 VanDerWaalsContact CD1-CB 3.43Å; L256-A365 HydrophobicContact CD2-CB 4.39Å; L256-A365 HydrophobicContact CG-CB 4.48Å; L256-I408 HydrophobicContact CD2-CD1 4.05Å; L256-P410 HydrophobicContact CD2-CG 4.21Å
257	N	93.8	Very high	91.5	Very high	29 Å²	29	33.1 Å²	33.1	16%	0.155	17%	0.165	C	C	.	.	H	α-helix	trans	-68.6	-29.1	177.6	-173	78	0	0	0	112.8	T253 A254 L255 L260 I292	T253-N257 PolarHBondContact O-N 3.05Å; T253-N257 VanDerWaalsContact O-N 3.08Å; A254-N257 PolarHBondContact O-N 3.38Å; L255-N257 VanDerWaalsContact C-N 3.34Å; L255-N257 PolarHBondContact O-N 3.47Å; N257-L260 VanDerWaalsContact O-O 3.07Å; N257-I292 HydrophobicContact CB-CD1 3.79Å; N257-I292 HydrophobicContact CB-CG1 3.7Å; N257-I292 VanDerWaalsContact CG-CG1 3.42Å; N257-I292 WeakPolarHBondContact ND2-CG1 3.45Å
258	R	93.3	Very high	91.8	Very high	142 Å²	142	32.8 Å²	32.8	54%	0.536	16%	0.163	S	C	.	.	H	α-helix	trans	-72.4	-32.1	172.7	179.3	60.1	-177.8	87.1	0.5	112.2	I227 A254 L255 L256 L426	I227-R258 HydrophobicContact CD1-CG 3.88Å; A254-R258 WeakPolarHBondContact O-CB 3.46Å; A254-R258 PolarHBondContact O-N 2.98Å; L255-R258 WeakPolarHBondContact O-CB 3.23Å; L255-R258 PolarHBondContact O-N 2.96Å; L256-R258 VanDerWaalsContact C-N 3.29Å; L256-R258 PolarHBondContact O-N 3.49Å; R258-L426 HydrophobicContact CB-CD2 3.8Å; R258-L426 HydrophobicContact CG-CD2 3.95Å
259	A	93.8	Very high	92.1	Very high	6 Å²	6	31 Å²	31	5%	0.05	15%	0.153	C	C	.	.	H	α-helix	trans	-83.5	-37	-178.9	0	0	0	0	0	113.3	I227 I230 K231 L255 L256	I227-A259 HydrophobicContact CB-CB 4.29Å; I227-A259 HydrophobicContact CG1-CB 4.1Å; I227-A259 HydrophobicContact CG2-CB 3.98Å; I230-A259 HydrophobicContact CB-CB 4.2Å; I230-A259 HydrophobicContact CD1-CB 4.29Å; I230-A259 HydrophobicContact CG2-CB 3.86Å; K231-A259 WeakPolarHBondContact CE-O 3.48Å; K231-A259 WeakPolarHBondContact CG-O 3.49Å; L255-A259 WeakPolarHBondContact O-CB 3.27Å; L255-A259 PolarHBondContact O-N 3.15Å; L256-A259 PolarHBondContact O-N 3.14Å
260	L	94.1	Very high	92.2	Very high	16 Å²	16	30.9 Å²	30.9	8%	0.084	15%	0.151	C	C	.	.	S	Bend	trans	-117.8	172.9	-169.1	-57.2	172.4	0	0	0	111.8	I230 K231 V234 V239 L256 N257 Q264 V265	I230-L260 HydrophobicContact CG2-CD1 4.07Å; I230-L260 HydrophobicContact CG2-CD2 4.12Å; I230-L260 HydrophobicContact CG2-CG 4.04Å; K231-L260 HydrophobicContact CG-CD2 4.45Å; V234-L260 HydrophobicContact CB-CD2 4.28Å; V234-L260 HydrophobicContact CG1-CD1 3.98Å; V234-L260 HydrophobicContact CG1-CD2 4.14Å; V239-L260 HydrophobicContact CB-CD1 4.25Å; V239-L260 HydrophobicContact CG2-CD1 3.47Å; V239-L260 VanDerWaalsContact CG2-CD1 3.47Å; L256-L260 HydrophobicContact CD2-CD1 4.46Å; L256-L260 WeakPolarHBondContact O-CB 3.27Å; L256-L260 PolarHBondContact O-N 3.35Å; N257-L260 VanDerWaalsContact O-O 3.07Å; L260-Q264 HydrophobicContact CB-CB 4.21Å; L260-V265 HydrophobicContact CB-CG2 3.98Å; L260-V265 HydrophobicContact CD1-CG2 4.23Å
261	N	91.3	Very high	92.3	Very high	111 Å²	111	32.5 Å²	32.5	59%	0.594	16%	0.16	S	C	*	.			trans	-72	153.2	173.3	-60.4	-50	0	0	0	111.2	D263 Q264	N261-D263 PolarHBondContact O-N 3.46Å; N261-Q264 HydrophobicContact CB-CG 4.26Å; N261-Q264 PolarHBondContact ND2-OE1 3.41Å; N261-Q264 WeakPolarHBondContact O-CB 3.35Å; N261-Q264 PolarHBondContact O-N 3.42Å
262	Q	87.3	Confident	92.3	Very high	129 Å²	129	33 Å²	33	60%	0.603	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-55.3	-39.3	179.1	-72.4	-179.6	-15.2	0	0	112.6	Q264 V265 G291	Q262-Q264 PolarHBondContact O-N 3.01Å; Q262-V265 PolarHBondContact O-N 3.24Å; Q262-G291 PolarHBondContact NE2-O 3.44Å
263	D	87.2	Confident	92.3	Very high	144 Å²	144	33.2 Å²	33.2	77%	0.77	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	-72.4	-15.6	-179.8	-60.9	-39.9	0	0	0	114	N261	N261-D263 PolarHBondContact O-N 3.46Å
264	Q	91.3	Very high	92.4	Very high	19 Å²	19	33.2 Å²	33.2	9%	0.089	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-84.1	-29.2	177.7	-70	-179.1	-92.4	0	0	112	G235 S237 K238 V239 L260 N261 Q262	G235-Q264 PolarHBondContact O-NE2 2.84Å; S237-Q264 PolarHBondContact O-NE2 3.33Å; K238-Q264 CarbonylContact C-O 3.17Å; K238-Q264 WeakPolarHBondContact CA-O 3.43Å; V239-Q264 PolarHBondContact N-O 2.98Å; L260-Q264 HydrophobicContact CB-CB 4.21Å; N261-Q264 HydrophobicContact CB-CG 4.26Å; N261-Q264 PolarHBondContact ND2-OE1 3.41Å; N261-Q264 WeakPolarHBondContact O-CB 3.35Å; N261-Q264 PolarHBondContact O-N 3.42Å; Q262-Q264 PolarHBondContact O-N 3.01Å
265	V	93.4	Very high	92.3	Very high	13 Å²	13	33.7 Å²	33.7	8%	0.079	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	110.1	-173.4	-175.4	0	0	0	0	110.4	V241 L256 L260 Q262	V241-V265 HydrophobicContact CG1-CG1 4.47Å; L256-V265 HydrophobicContact CB-CG1 4.19Å; L256-V265 HydrophobicContact CB-CG2 4.12Å; L260-V265 HydrophobicContact CB-CG2 3.98Å; L260-V265 HydrophobicContact CD1-CG2 4.23Å; Q262-V265 PolarHBondContact O-N 3.24Å
266	I	91.4	Very high	92.3	Very high	22 Å²	22	35.2 Å²	35.2	11%	0.113	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	100.2	176.9	-56.4	175.7	0	0	0	108.6	K238 V239 L240 V241 V268 M355 L357	K238-I266 HydrophobicContact CB-CD1 4.35Å; K238-I266 HydrophobicContact CD-CD1 3.84Å; V239-I266 PolarHBondContact O-N 3.43Å; L240-I266 WeakPolarHBondContact CA-O 3.3Å; L240-I266 HydrophobicContact CD1-CB 3.97Å; L240-I266 HydrophobicContact CD1-CG2 3.63Å; V241-I266 PolarHBondContact N-O 2.89Å; I266-V268 HydrophobicContact CG2-CG2 4.14Å; I266-M355 HydrophobicContact CD1-CE 4.19Å; I266-M355 HydrophobicContact CG2-CE 3.55Å; I266-M355 HydrophobicContact CG2-SD 4.18Å; I266-L357 HydrophobicContact CD1-CD1 3.87Å; I266-L357 HydrophobicContact CD1-CD2 3.85Å
267	A	93.2	Very high	92.3	Very high	2 Å²	2	39 Å²	39	2%	0.017	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	117.8	174.8	0	0	0	0	0	111.1	V241 T253 I292 V294 K295	V241-A267 HydrophobicContact CG1-CB 3.9Å; T253-A267 HydrophobicContact CG2-CB 3.79Å; A267-I292 HydrophobicContact CB-CG2 4.49Å; A267-V294 HydrophobicContact CB-CG2 4.27Å; A267-K295 PolarHBondContact O-N 2.94Å
268	V	91.7	Very high	92.1	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.9	175.9	179.8	0	0	0	0	109.3	L240 V241 L242 L243 I266 I270 K295 I297 V351	L240-V268 HydrophobicContact CD1-CG2 3.78Å; V241-V268 PolarHBondContact O-N 3.49Å; L242-V268 CarbonylContact C-O 3.55Å; L242-V268 HydrophobicContact CD2-CB 4.32Å; L243-V268 PolarHBondContact N-O 2.81Å; I266-V268 HydrophobicContact CG2-CG2 4.14Å; V268-I270 HydrophobicContact CG1-CG1 4.13Å; V268-K295 WeakPolarHBondContact CA-O 3.43Å; V268-K295 HydrophobicContact CG2-CB 4.5Å; V268-I297 HydrophobicContact CG1-CG1 3.89Å; V268-V351 HydrophobicContact CG1-CG1 3.99Å; V268-V351 HydrophobicContact CG2-CG1 4.14Å
269	H	92.8	Very high	91.8	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.009	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116	173.1	-178.2	47.9	0	0	0	110.1	L243 S280 V294 K295 V296 I297	L243-H269 HydrophobicContact CB-CB 4.23Å; L243-H269 HydrophobicContact CD2-CB 4.17Å; L243-H269 PolarHBondContact O-ND1 2.9Å; H269-S280 WeakPolarHBondContact NE2-CB 3.16Å; H269-S280 PolarHBondContact NE2-OG 3.49Å; H269-V294 HydrophobicContact CB-CG1 3.76Å; H269-K295 PolarHBondContact N-O 2.97Å; H269-V296 HydrophobicContact CB-CG2 4.44Å; H269-V296 CarbonylContact O-C 3.53Å; H269-V296 WeakPolarHBondContact O-CA 3.26Å; H269-I297 PolarHBondContact O-N 3.24Å
270	I	90.6	Very high	91.7	Very high	7 Å²	7	41 Å²	41	4%	0.036	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	107.5	176.4	-56.1	172.6	0	0	0	108.1	V268 N272 I297 A299 F303 F344 I347 A348	V268-I270 HydrophobicContact CG1-CG1 4.13Å; I270-N272 PolarHBondContact O-N 2.84Å; I270-I297 HydrophobicContact CG1-CB 4.39Å; I270-I297 HydrophobicContact CG1-CG1 4.46Å; I270-A299 HydrophobicContact CG2-CB 3.91Å; I270-F303 HydrophobicContact CG2-CE2 3.77Å; I270-F303 HydrophobicContact CG2-CZ 4.18Å; I270-F344 HydrophobicContact CB-CD2 4.21Å; I270-F344 HydrophobicContact CB-CE2 3.97Å; I270-F344 HydrophobicContact CD1-CD2 4.11Å; I270-F344 HydrophobicContact CD1-CE2 3.88Å; I270-F344 HydrophobicContact CD1-CZ 4.27Å; I270-F344 HydrophobicContact CG1-CE2 4.33Å; I270-F344 HydrophobicContact CG2-CD2 4.36Å; I270-I347 HydrophobicContact CD1-CB 4.45Å; I270-I347 HydrophobicContact CD1-CG2 4.06Å; I270-I347 HydrophobicContact CG1-CG2 4.45Å; I270-I347 HydrophobicContact CG2-CG2 4.1Å; I270-A348 HydrophobicContact CD1-CB 3.97Å
271	D	92.8	Very high	91.5	Very high	35 Å²	35	45.2 Å²	45.2	19%	0.187	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	107.9	172.1	-179	10.1	0	0	0	109.3	G273 I297 A299 A300	D271-G273 VanDerWaalsContact C-N 3.25Å; D271-G273 PolarHBondContact O-N 3.2Å; D271-G273 PolarHBondContact OD1-N 3.26Å; D271-I297 PolarHBondContact N-O 3.25Å; D271-A299 CarbonylContact O-C 3.6Å; D271-A299 WeakPolarHBondContact O-CA 3.24Å; D271-A299 PolarHBondContact O-N 3.29Å; D271-A300 PolarHBondContact O-N 3.18Å
272	N	91.1	Very high	91.5	Very high	10 Å²	10	41.7 Å²	41.7	5%	0.053	20%	0.199	C	C	.	.			trans	-79.9	-3.5	179.7	68.5	12	0	0	0	113.7	I270 F274 F303 G440	I270-N272 PolarHBondContact O-N 2.84Å; N272-F274 VanDerWaalsContact C-N 3.3Å; N272-F274 HydrophobicContact CB-CD2 4.34Å; N272-F274 VanDerWaalsContact O-CD2 3.24Å; N272-F274 WeakPolarHBondContact O-CD2 3.39Å; N272-F274 WeakPolarHBondContact O-CE2 3.35Å; N272-F274 PolarHBondContact O-N 2.87Å; N272-F274 WeakPolarHBondContact OD1-CA 3.28Å; N272-F274 WeakPolarHBondContact OD1-CB 3.37Å; N272-F274 PolarHBondContact OD1-N 3.25Å; N272-F303 HydrophobicContact CB-CD1 3.81Å; N272-F303 HydrophobicContact CB-CD2 3.83Å; N272-F303 HydrophobicContact CB-CE1 3.71Å; N272-F303 HydrophobicContact CB-CE2 3.74Å; N272-F303 HydrophobicContact CB-CG 3.85Å; N272-F303 HydrophobicContact CB-CZ 3.65Å; N272-F303 VanDerWaalsContact O-CB 3.28Å; N272-F303 WeakPolarHBondContact O-CB 3.49Å; N272-G440 PolarHBondContact ND2-O 2.8Å; N272-G440 VanDerWaalsContact ND2-O 3.1Å
273	G	93.6	Very high	91.5	Very high	4 Å²	4	35.6 Å²	35.6	4%	0.041	17%	0.171	C	C	.	.	S	Bend	trans	83.7	-3.2	-178	0	0	0	0	0	115.1	D271 Y304	D271-G273 VanDerWaalsContact C-N 3.25Å; D271-G273 PolarHBondContact O-N 3.2Å; D271-G273 PolarHBondContact OD1-N 3.26Å; G273-Y304 WeakPolarHBondContact CA-OH 3.27Å; G273-Y304 PolarHBondContact O-OH 3.47Å; G273-Y304 VanDerWaalsContact O-OH 3.1Å
274	F	94.9	Very high	91.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.148	C	C	.	.			trans	-110.6	16.2	-178	-56.6	-71.9	0	0	0	113.3	N272 F303 Y304 L327 I340 F438 P441 L443 A444 L580 L585	N272-F274 VanDerWaalsContact C-N 3.3Å; N272-F274 HydrophobicContact CB-CD2 4.34Å; N272-F274 VanDerWaalsContact O-CD2 3.24Å; N272-F274 WeakPolarHBondContact O-CD2 3.39Å; N272-F274 WeakPolarHBondContact O-CE2 3.35Å; N272-F274 PolarHBondContact O-N 2.87Å; N272-F274 WeakPolarHBondContact OD1-CA 3.28Å; N272-F274 WeakPolarHBondContact OD1-CB 3.37Å; N272-F274 PolarHBondContact OD1-N 3.25Å; F274-F303 HydrophobicContact CE2-CB 4.13Å; F274-Y304 HydrophobicContact CE1-CD1 4.17Å; F274-Y304 AromaticContact CE1-CE1 3.98Å; F274-Y304 HydrophobicContact CE1-CE1 3.98Å; F274-Y304 HydrophobicContact CE2-CD1 4.3Å; F274-Y304 HydrophobicContact CE2-CE1 4.35Å; F274-Y304 AromaticContact CZ-CD1 3.72Å; F274-Y304 HydrophobicContact CZ-CD1 3.72Å; F274-Y304 AromaticContact CZ-CE1 3.88Å; F274-Y304 HydrophobicContact CZ-CE1 3.88Å; F274-L327 HydrophobicContact CE2-CD2 3.42Å; F274-L327 VanDerWaalsContact CE2-CD2 3.42Å; F274-L327 HydrophobicContact CZ-CD2 3.43Å; F274-L327 VanDerWaalsContact CZ-CD2 3.43Å; F274-L327 HydrophobicContact CZ-CG 4.13Å; F274-I340 HydrophobicContact CD2-CD1 4.36Å; F274-I340 HydrophobicContact CE2-CD1 4.24Å; F274-I340 HydrophobicContact CE2-CG1 4.4Å; F274-F438 WeakPolarHBondContact O-CZ 3.49Å; F274-P441 WeakPolarHBondContact CB-O 3.47Å; F274-L443 HydrophobicContact CB-CB 4.39Å; F274-L443 WeakPolarHBondContact O-CG 3.28Å; F274-L443 PolarHBondContact O-N 3.28Å; F274-A444 HydrophobicContact CD1-CB 3.77Å; F274-A444 HydrophobicContact CD2-CB 4.21Å; F274-A444 HydrophobicContact CE1-CB 3.92Å; F274-A444 HydrophobicContact CE2-CB 4.35Å; F274-A444 HydrophobicContact CG-CB 3.92Å; F274-A444 HydrophobicContact CZ-CB 4.21Å; F274-L580 HydrophobicContact CE1-CB 4.13Å; F274-L580 HydrophobicContact CE1-CD1 4.06Å; F274-L580 HydrophobicContact CE1-CD2 4.44Å; F274-L580 HydrophobicContact CE1-CG 4.45Å; F274-L580 HydrophobicContact CZ-CD1 4.2Å; F274-L585 HydrophobicContact CD1-CD1 3.91Å; F274-L585 HydrophobicContact CD1-CD2 3.8Å; F274-L585 HydrophobicContact CE1-CD1 3.65Å; F274-L585 HydrophobicContact CE1-CD2 3.99Å; F274-L585 HydrophobicContact CE1-CG 4.45Å
275	M	92.6	Very high	91.9	Very high	16 Å²	16	36.1 Å²	36.1	8%	0.079	17%	0.169	C	C	.	.	S	Bend	trans	-76.7	162.1	176.3	-54.1	-53.9	-68.8	0	0	111.9	S244 F438	S244-M275 VanDerWaalsContact O-CE 3.31Å; S244-M275 WeakPolarHBondContact O-CE 3.44Å; M275-F438 HydrophobicContact CE-CD1 4.31Å; M275-F438 HydrophobicContact CE-CE1 4.27Å; M275-F438 HydrophobicContact SD-CE1 4.18Å
276	R	93.9	Very high	91.7	Very high	31 Å²	31	36 Å²	36	12%	0.117	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-71.5	165.9	174	-61	177.3	-87.4	-165	-5	111.2	R278 E279 F438 D592	R276-R278 PolarHBondContact O-N 2.95Å; R276-R278 VanDerWaalsContact O-N 3.13Å; R276-E279 HydrophobicContact CB-CB 4.09Å; R276-E279 WeakPolarHBondContact CB-OE2 3.27Å; R276-E279 WeakPolarHBondContact CG-OE2 3.45Å; R276-E279 IonicContact CZ-OE1 3.58Å; R276-E279 IonicContact CZ-OE2 3.94Å; R276-E279 PolarHBondContact N-OE2 3.32Å; R276-E279 IonicContact NE-OE1 3.28Å; R276-E279 PolarHBondContact NE-OE1 3.07Å; R276-E279 IonicContact NE-OE2 3.42Å; R276-E279 PolarHBondContact NE-OE2 3.45Å; R276-E279 IonicContact NH2-OE1 3.88Å; R276-E279 PolarHBondContact NH2-OE1 3.2Å; R276-E279 IonicContact NH2-OE2 2.74Å; R276-E279 WeakPolarHBondContact O-CB 3.47Å; R276-E279 PolarHBondContact O-N 3.47Å; R276-E279 VanDerWaalsContact O-N 3.12Å; R276-F438 HydrophobicContact CG-CD2 4.24Å; R276-F438 HydrophobicContact CG-CE2 3.6Å; R276-F438 HydrophobicContact CG-CZ 3.87Å; R276-D592 WeakPolarHBondContact CD-OD2 3.49Å; R276-D592 VanDerWaalsContact CG-OD2 3.31Å; R276-D592 WeakPolarHBondContact CG-OD2 3.36Å
277	K	93.6	Very high	91.7	Very high	80 Å²	80	34.9 Å²	34.9	35%	0.348	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	118.3	-175.2	-168.5	176	-175.3	-177.6	0	111.1	E279 F593	K277-E279 PolarHBondContact O-N 3.47Å; K277-E279 VanDerWaalsContact O-N 3.13Å; K277-F593 HydrophobicContact CB-CB 4.21Å; K277-F593 HydrophobicContact CB-CD2 4.12Å; K277-F593 HydrophobicContact CB-CG 4.38Å; K277-F593 HydrophobicContact CD-CB 4.07Å; K277-F593 HydrophobicContact CD-CD1 4.14Å; K277-F593 HydrophobicContact CD-CD2 4.02Å; K277-F593 HydrophobicContact CD-CE2 4.48Å; K277-F593 HydrophobicContact CD-CG 3.82Å; K277-F593 HydrophobicContact CG-CD2 4.47Å
278	R	89.9	Confident	91.7	Very high	189 Å²	189	40.9 Å²	40.9	71%	0.713	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	18.9	-179.4	-58.7	-177.7	178.1	175.7	-2	114.7	R276 S282	R276-R278 PolarHBondContact O-N 2.95Å; R276-R278 VanDerWaalsContact O-N 3.13Å; R278-S282 PolarHBondContact O-N 2.84Å; R278-S282 VanDerWaalsContact O-N 3.13Å
279	E	88.1	Confident	91.6	Very high	14 Å²	14	49.1 Å²	49.1	7%	0.065	23%	0.225	C	C	.	.	H	α-helix	trans	-68.1	-49.3	-176.5	-168.3	171.7	-160.2	0	0	111.3	R276 K277 Q281 S282 V283 R435	R276-E279 HydrophobicContact CB-CB 4.09Å; R276-E279 WeakPolarHBondContact CB-OE2 3.27Å; R276-E279 WeakPolarHBondContact CG-OE2 3.45Å; R276-E279 IonicContact CZ-OE1 3.58Å; R276-E279 IonicContact CZ-OE2 3.94Å; R276-E279 PolarHBondContact N-OE2 3.32Å; R276-E279 IonicContact NE-OE1 3.28Å; R276-E279 PolarHBondContact NE-OE1 3.07Å; R276-E279 IonicContact NE-OE2 3.42Å; R276-E279 PolarHBondContact NE-OE2 3.45Å; R276-E279 IonicContact NH2-OE1 3.88Å; R276-E279 PolarHBondContact NH2-OE1 3.2Å; R276-E279 IonicContact NH2-OE2 2.74Å; R276-E279 WeakPolarHBondContact O-CB 3.47Å; R276-E279 PolarHBondContact O-N 3.47Å; R276-E279 VanDerWaalsContact O-N 3.12Å; K277-E279 PolarHBondContact O-N 3.47Å; K277-E279 VanDerWaalsContact O-N 3.13Å; E279-Q281 VanDerWaalsContact C-N 3.33Å; E279-Q281 PolarHBondContact O-N 3.38Å; E279-S282 PolarHBondContact O-N 2.97Å; E279-S282 VanDerWaalsContact O-N 3.15Å; E279-S282 PolarHBondContact O-OG 2.79Å; E279-V283 WeakPolarHBondContact O-CG2 3.43Å; E279-V283 PolarHBondContact O-N 3.4Å; E279-V283 VanDerWaalsContact O-N 3.07Å; E279-R435 IonicContact OE1-NH1 2.87Å
280	S	90.4	Very high	91.3	Very high	15 Å²	15	51.8 Å²	51.8	11%	0.105	24%	0.239	C	C	.	.	H	α-helix	trans	-56.6	-43.5	177.5	-62	0	0	0	0	113.2	H269 V283 E284	H269-S280 WeakPolarHBondContact NE2-CB 3.16Å; H269-S280 PolarHBondContact NE2-OG 3.49Å; S280-V283 PolarHBondContact O-N 3.03Å; S280-E284 PolarHBondContact O-N 3Å
281	Q	91.5	Very high	91.2	Very high	106 Å²	106	53.2 Å²	53.2	50%	0.495	25%	0.254	S	S	.	.	H	α-helix	trans	-61.7	-45.4	176.7	-69.6	171.9	-13.2	0	0	111.2	E279 V283 E284 E285	E279-Q281 VanDerWaalsContact C-N 3.33Å; E279-Q281 PolarHBondContact O-N 3.38Å; Q281-V283 VanDerWaalsContact C-N 3.28Å; Q281-V283 PolarHBondContact O-N 3.38Å; Q281-E284 PolarHBondContact O-N 2.87Å; Q281-E285 WeakPolarHBondContact O-CB 3.23Å; Q281-E285 WeakPolarHBondContact O-CG 3.43Å; Q281-E285 PolarHBondContact O-N 3.36Å
282	S	89.4	Confident	91	Very high	37 Å²	37	51.8 Å²	51.8	26%	0.259	25%	0.247	S	C	.	.	H	α-helix	trans	-62.9	-34.3	178.3	74.8	0	0	0	0	113.1	R278 E279 A286 R435	R278-S282 PolarHBondContact O-N 2.84Å; R278-S282 VanDerWaalsContact O-N 3.13Å; E279-S282 PolarHBondContact O-N 2.97Å; E279-S282 VanDerWaalsContact O-N 3.15Å; E279-S282 PolarHBondContact O-OG 2.79Å; S282-A286 VanDerWaalsContact O-CB 3.27Å; S282-A286 WeakPolarHBondContact O-CB 3.48Å; S282-A286 PolarHBondContact O-N 3.4Å; S282-R435 PolarHBondContact OG-NH2 2.93Å
283	V	88.7	Confident	90.9	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-71.9	-45	177.5	175.7	0	0	0	0	110.3	L243 T250 E279 S280 Q281 A286 L287 L432	L243-V283 HydrophobicContact CD2-CG1 3.87Å; T250-V283 HydrophobicContact CG2-CG1 4.37Å; E279-V283 WeakPolarHBondContact O-CG2 3.43Å; E279-V283 PolarHBondContact O-N 3.4Å; E279-V283 VanDerWaalsContact O-N 3.07Å; S280-V283 PolarHBondContact O-N 3.03Å; Q281-V283 VanDerWaalsContact C-N 3.28Å; Q281-V283 PolarHBondContact O-N 3.38Å; V283-A286 PolarHBondContact O-N 2.88Å; V283-L287 HydrophobicContact CG1-CD1 4.01Å; V283-L287 WeakPolarHBondContact O-CB 3.38Å; V283-L287 WeakPolarHBondContact O-CG 3.15Å; V283-L287 PolarHBondContact O-N 3.31Å; V283-L432 HydrophobicContact CG2-CD1 4.25Å
284	E	93.4	Very high	90.9	Very high	63 Å²	63	57.7 Å²	57.7	29%	0.294	27%	0.273	S	S	.	.	H	α-helix	trans	-57.7	-49	174.4	-179.9	-175.2	-169.9	0	0	111.1	S280 Q281 A286 L287 K288 V294 V296	S280-E284 PolarHBondContact O-N 3Å; Q281-E284 PolarHBondContact O-N 2.87Å; E284-A286 PolarHBondContact O-N 2.85Å; E284-L287 PolarHBondContact O-N 2.88Å; E284-K288 VanDerWaalsContact O-CB 3.23Å; E284-K288 WeakPolarHBondContact O-CB 3.43Å; E284-K288 PolarHBondContact O-N 3.45Å; E284-V294 HydrophobicContact CG-CB 4.43Å; E284-V296 HydrophobicContact CB-CG2 4.46Å; E284-V296 HydrophobicContact CG-CG2 4.17Å
285	E	92.6	Very high	90.8	Very high	111 Å²	111	61.9 Å²	61.9	52%	0.519	29%	0.292	S	S	.	.	H	α-helix	trans	-62.1	-41.2	178.8	-73.8	175.8	-165.9	0	0	112.4	Q281 K288 K289	Q281-E285 WeakPolarHBondContact O-CB 3.23Å; Q281-E285 WeakPolarHBondContact O-CG 3.43Å; Q281-E285 PolarHBondContact O-N 3.36Å; E285-K288 PolarHBondContact O-N 3.5Å; E285-K289 VanDerWaalsContact O-CG 3.28Å; E285-K289 WeakPolarHBondContact O-CG 3.29Å; E285-K289 PolarHBondContact O-N 2.92Å
286	A	90.3	Very high	90.8	Very high	9 Å²	9	63 Å²	63	7%	0.074	30%	0.3	C	S	.	.	H	α-helix	trans	-64.5	-45.3	178.1	0	0	0	0	0	111.7	S282 V283 E284 K289 L290 P429 L432	S282-A286 VanDerWaalsContact O-CB 3.27Å; S282-A286 WeakPolarHBondContact O-CB 3.48Å; S282-A286 PolarHBondContact O-N 3.4Å; V283-A286 PolarHBondContact O-N 2.88Å; E284-A286 PolarHBondContact O-N 2.85Å; A286-K289 PolarHBondContact O-N 3.42Å; A286-L290 PolarHBondContact O-N 3.43Å; A286-P429 HydrophobicContact CB-CG 4.09Å; A286-L432 HydrophobicContact CB-CD1 3.75Å
287	L	91.3	Very high	90.8	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-67.4	-40.4	177.3	-74	173.6	0	0	0	111.7	L243 T250 T253 V283 E284 K289 L290 G291 I292 V294 L428	L243-L287 HydrophobicContact CD1-CD1 4.2Å; L243-L287 HydrophobicContact CD2-CD1 3.39Å; L243-L287 HydrophobicContact CG-CD1 4.47Å; T250-L287 HydrophobicContact CG2-CD1 4.23Å; T250-L287 HydrophobicContact CG2-CD2 3.79Å; T250-L287 HydrophobicContact CG2-CG 4.04Å; T253-L287 HydrophobicContact CG2-CD1 4.48Å; T253-L287 HydrophobicContact CG2-CD2 4.44Å; V283-L287 HydrophobicContact CG1-CD1 4.01Å; V283-L287 WeakPolarHBondContact O-CB 3.38Å; V283-L287 WeakPolarHBondContact O-CG 3.15Å; V283-L287 PolarHBondContact O-N 3.31Å; E284-L287 PolarHBondContact O-N 2.88Å; L287-K289 VanDerWaalsContact C-N 3.32Å; L287-K289 PolarHBondContact O-N 3.5Å; L287-L290 CarbonylContact O-C 3.52Å; L287-L290 WeakPolarHBondContact O-CA 3.25Å; L287-L290 WeakPolarHBondContact O-CB 3.46Å; L287-L290 PolarHBondContact O-N 2.94Å; L287-G291 PolarHBondContact O-N 2.95Å; L287-I292 CarbonylContact C-O 3.56Å; L287-I292 HydrophobicContact CB-CB 4.08Å; L287-I292 HydrophobicContact CB-CG2 4.33Å; L287-I292 HydrophobicContact CD2-CB 4.49Å; L287-I292 HydrophobicContact CD2-CD1 3.62Å; L287-I292 WeakPolarHBondContact O-CB 3.38Å; L287-I292 PolarHBondContact O-N 3.16Å; L287-V294 HydrophobicContact CB-CG2 3.87Å; L287-V294 HydrophobicContact CD1-CG2 3.7Å; L287-V294 HydrophobicContact CG-CG2 4.47Å; L287-L428 HydrophobicContact CD2-CD2 4.24Å
288	K	93	Very high	90.9	Very high	128 Å²	128	65.8 Å²	65.8	56%	0.557	32%	0.32	S	S	*	.	H	α-helix	trans	-62.7	-37.3	177.3	-169.5	175.8	-174.9	176.2	0	112.5	E284 E285 L290 G291 I292	E284-K288 VanDerWaalsContact O-CB 3.23Å; E284-K288 WeakPolarHBondContact O-CB 3.43Å; E284-K288 PolarHBondContact O-N 3.45Å; E285-K288 PolarHBondContact O-N 3.5Å; K288-L290 PolarHBondContact O-N 2.75Å; K288-G291 PolarHBondContact O-N 3.38Å; K288-I292 WeakPolarHBondContact CA-O 3.35Å; K288-I292 PolarHBondContact N-O 2.99Å
289	K	90.1	Very high	91.1	Very high	174 Å²	174	57 Å²	57	76%	0.757	29%	0.288	S	S	*	.	H	α-helix	trans	-62.7	-26.1	173.2	-75.6	171.1	-176.3	174.8	0	112.9	E285 A286 L287 G291	E285-K289 VanDerWaalsContact O-CG 3.28Å; E285-K289 WeakPolarHBondContact O-CG 3.29Å; E285-K289 PolarHBondContact O-N 2.92Å; A286-K289 PolarHBondContact O-N 3.42Å; L287-K289 VanDerWaalsContact C-N 3.32Å; L287-K289 PolarHBondContact O-N 3.5Å; K289-G291 VanDerWaalsContact C-N 3.27Å
290	L	85.9	Confident	91.4	Very high	58 Å²	58	57.2 Å²	57.2	30%	0.304	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	7.7	173.4	-63.3	173.3	0	0	0	113.1	A286 L287 K288 I292 L428	A286-L290 PolarHBondContact O-N 3.43Å; L287-L290 CarbonylContact O-C 3.52Å; L287-L290 WeakPolarHBondContact O-CA 3.25Å; L287-L290 WeakPolarHBondContact O-CB 3.46Å; L287-L290 PolarHBondContact O-N 2.94Å; K288-L290 PolarHBondContact O-N 2.75Å; L290-I292 VanDerWaalsContact C-N 3.33Å; L290-I292 HydrophobicContact CB-CD1 4.22Å; L290-I292 HydrophobicContact CB-CG1 4.42Å; L290-L428 HydrophobicContact CD1-CD2 3.54Å; L290-L428 HydrophobicContact CD1-CG 4.02Å
291	G	87.2	Confident	91.7	Very high	36 Å²	36	62.9 Å²	62.9	37%	0.371	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	16.4	-178.5	0	0	0	0	0	114	Q262 L287 K288 K289	Q262-G291 PolarHBondContact NE2-O 3.44Å; L287-G291 PolarHBondContact O-N 2.95Å; K288-G291 PolarHBondContact O-N 3.38Å; K289-G291 VanDerWaalsContact C-N 3.27Å
292	I	89.1	Confident	91.8	Very high	5 Å²	5	61.1 Å²	61.1	3%	0.026	32%	0.316	C	S	.	.			trans	-97.6	114.6	179.4	-57.8	167.9	0	0	0	108.7	T253 A254 N257 A267 L287 K288 L290 V294	T253-I292 HydrophobicContact CG2-CG2 3.81Å; A254-I292 HydrophobicContact CB-CD1 4.3Å; N257-I292 HydrophobicContact CB-CD1 3.79Å; N257-I292 HydrophobicContact CB-CG1 3.7Å; N257-I292 VanDerWaalsContact CG-CG1 3.42Å; N257-I292 WeakPolarHBondContact ND2-CG1 3.45Å; A267-I292 HydrophobicContact CB-CG2 4.49Å; L287-I292 CarbonylContact C-O 3.56Å; L287-I292 HydrophobicContact CB-CB 4.08Å; L287-I292 HydrophobicContact CB-CG2 4.33Å; L287-I292 HydrophobicContact CD2-CB 4.49Å; L287-I292 HydrophobicContact CD2-CD1 3.62Å; L287-I292 WeakPolarHBondContact O-CB 3.38Å; L287-I292 PolarHBondContact O-N 3.16Å; K288-I292 WeakPolarHBondContact CA-O 3.35Å; K288-I292 PolarHBondContact N-O 2.99Å; L290-I292 VanDerWaalsContact C-N 3.33Å; L290-I292 HydrophobicContact CB-CD1 4.22Å; L290-I292 HydrophobicContact CB-CG1 4.42Å; I292-V294 HydrophobicContact CG2-CG2 4.41Å
293	Q	89.3	Confident	92.1	Very high	132 Å²	132	59.4 Å²	59.4	62%	0.617	30%	0.304	S	S	*	.			trans	-79.8	125.4	174.6	-174.4	61.7	28.2	0	0	110.1
294	V	93.1	Very high	92.5	Very high	6 Å²	6	60.3 Å²	60.3	4%	0.036	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.7	178.4	-175.7	0	0	0	0	109.4	L243 A267 H269 E284 L287 I292 V296	L243-V294 HydrophobicContact CD2-CG1 4Å; L243-V294 HydrophobicContact CD2-CG2 4.4Å; A267-V294 HydrophobicContact CB-CG2 4.27Å; H269-V294 HydrophobicContact CB-CG1 3.76Å; E284-V294 HydrophobicContact CG-CB 4.43Å; L287-V294 HydrophobicContact CB-CG2 3.87Å; L287-V294 HydrophobicContact CD1-CG2 3.7Å; L287-V294 HydrophobicContact CG-CG2 4.47Å; I292-V294 HydrophobicContact CG2-CG2 4.41Å; V294-V296 HydrophobicContact CG1-CG2 4.25Å
295	K	92.8	Very high	92.6	Very high	89 Å²	89	61.6 Å²	61.6	39%	0.387	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	105.3	170.3	-175.6	-177.4	173.9	88.4	0	108.6	A267 V268 H269 I297 V351 M355	A267-K295 PolarHBondContact O-N 2.94Å; V268-K295 WeakPolarHBondContact CA-O 3.43Å; V268-K295 HydrophobicContact CG2-CB 4.5Å; H269-K295 PolarHBondContact N-O 2.97Å; K295-I297 HydrophobicContact CD-CD1 4.15Å; K295-I297 HydrophobicContact CG-CD1 3.98Å; K295-V351 HydrophobicContact CD-CG1 4.44Å; K295-M355 HydrophobicContact CD-SD 4.08Å
296	V	93.9	Very high	92.6	Very high	40 Å²	40	56.6 Å²	56.6	24%	0.242	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.2	177.1	-176.5	0	0	0	0	110.4	H269 E284 V294	H269-V296 HydrophobicContact CB-CG2 4.44Å; H269-V296 CarbonylContact O-C 3.53Å; H269-V296 WeakPolarHBondContact O-CA 3.26Å; E284-V296 HydrophobicContact CB-CG2 4.46Å; E284-V296 HydrophobicContact CG-CG2 4.17Å; V294-V296 HydrophobicContact CG1-CG2 4.25Å
297	I	93.8	Very high	92.7	Very high	34 Å²	34	58.8 Å²	58.8	17%	0.174	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	109.9	175.8	-49.3	-62.6	0	0	0	108.1	V268 H269 I270 D271 K295 A299 I347 V351	V268-I297 HydrophobicContact CG1-CG1 3.89Å; H269-I297 PolarHBondContact O-N 3.24Å; I270-I297 HydrophobicContact CG1-CB 4.39Å; I270-I297 HydrophobicContact CG1-CG1 4.46Å; D271-I297 PolarHBondContact N-O 3.25Å; K295-I297 HydrophobicContact CD-CD1 4.15Å; K295-I297 HydrophobicContact CG-CD1 3.98Å; I297-A299 HydrophobicContact CG2-CB 4.36Å; I297-A299 PolarHBondContact O-N 3.08Å; I297-I347 HydrophobicContact CG2-CG2 4.17Å; I297-V351 HydrophobicContact CD1-CG1 4.44Å; I297-V351 HydrophobicContact CD1-CG2 3.94Å; I297-V351 HydrophobicContact CG1-CG2 3.9Å; I297-V351 HydrophobicContact CG2-CG2 4.5Å
298	N	94.3	Very high	92.4	Very high	134 Å²	134	59 Å²	59	72%	0.717	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	87.2	178	-64.6	-62.5	0	0	0	109.9
299	A	94.6	Very high	91.8	Very high	5 Å²	5	56.2 Å²	56.2	4%	0.041	30%	0.302	C	S	.	.			trans	-104.4	7.2	-173.3	0	0	0	0	0	114.3	I270 D271 I297 H301 S302 F303 I347	I270-A299 HydrophobicContact CG2-CB 3.91Å; D271-A299 CarbonylContact O-C 3.6Å; D271-A299 WeakPolarHBondContact O-CA 3.24Å; D271-A299 PolarHBondContact O-N 3.29Å; I297-A299 HydrophobicContact CG2-CB 4.36Å; I297-A299 PolarHBondContact O-N 3.08Å; A299-H301 VanDerWaalsContact C-N 3.29Å; A299-H301 PolarHBondContact O-N 3.41Å; A299-H301 VanDerWaalsContact O-N 3.09Å; A299-S302 WeakPolarHBondContact O-CA 3.27Å; A299-S302 VanDerWaalsContact O-CB 3.31Å; A299-S302 WeakPolarHBondContact O-CB 3.31Å; A299-S302 PolarHBondContact O-N 3.15Å; A299-F303 HydrophobicContact CB-CD2 3.86Å; A299-F303 HydrophobicContact CB-CE2 3.78Å; A299-F303 WeakPolarHBondContact O-CD2 3.07Å; A299-F303 PolarHBondContact O-N 3.19Å; A299-I347 HydrophobicContact CB-CD1 3.74Å
300	A	94.6	Very high	90.9	Very high	18 Å²	18	48.7 Å²	48.7	15%	0.149	27%	0.27	C	S	.	.	H	α-helix	trans	-45.6	-47.7	-175	0	0	0	0	0	114	D271 S302 F303 Y304	D271-A300 PolarHBondContact O-N 3.18Å; A300-S302 PolarHBondContact O-N 2.79Å; A300-F303 PolarHBondContact O-N 3.03Å; A300-Y304 HydrophobicContact CB-CE2 3.86Å; A300-Y304 WeakPolarHBondContact O-CD1 3.19Å; A300-Y304 VanDerWaalsContact O-CD2 3.22Å; A300-Y304 WeakPolarHBondContact O-CD2 3.44Å; A300-Y304 PolarHBondContact O-N 3.25Å
301	H	95.9	Very high	90	Very high	135 Å²	135	49.1 Å²	49.1	63%	0.625	28%	0.276	S	S	*	.	H	α-helix	trans	-66.2	-34.8	178.4	-71.4	-67.2	0	0	0	113.8	A299 F303 N305	A299-H301 VanDerWaalsContact C-N 3.29Å; A299-H301 PolarHBondContact O-N 3.41Å; A299-H301 VanDerWaalsContact O-N 3.09Å; H301-F303 VanDerWaalsContact C-N 3.31Å; H301-N305 PolarHBondContact O-N 2.83Å; H301-N305 VanDerWaalsContact O-N 3.16Å; H301-N305 PolarHBondContact O-ND2 2.92Å
302	S	95.4	Very high	88.9	Confident	69 Å²	69	51.6 Å²	51.6	48%	0.483	28%	0.28	S	S	.	.	H	α-helix	trans	-65	-37.9	174.7	-53.8	0	0	0	0	111.1	A299 A300 G306	A299-S302 WeakPolarHBondContact O-CA 3.27Å; A299-S302 VanDerWaalsContact O-CB 3.31Å; A299-S302 WeakPolarHBondContact O-CB 3.31Å; A299-S302 PolarHBondContact O-N 3.15Å; A300-S302 PolarHBondContact O-N 2.79Å; S302-G306 VanDerWaalsContact O-CA 3.31Å; S302-G306 WeakPolarHBondContact O-CA 3.35Å; S302-G306 PolarHBondContact O-N 3.31Å
303	F	95.2	Very high	87.3	Confident	1 Å²	1	53.8 Å²	53.8	0%	0.004	30%	0.296	C	S	.	.	H	α-helix	trans	-71.8	-46.4	174.5	-80.1	-93.8	0	0	0	112.6	I270 N272 F274 A299 A300 H301 N305 G306 L327 I340 T343 F344 I347	I270-F303 HydrophobicContact CG2-CE2 3.77Å; I270-F303 HydrophobicContact CG2-CZ 4.18Å; N272-F303 HydrophobicContact CB-CD1 3.81Å; N272-F303 HydrophobicContact CB-CD2 3.83Å; N272-F303 HydrophobicContact CB-CE1 3.71Å; N272-F303 HydrophobicContact CB-CE2 3.74Å; N272-F303 HydrophobicContact CB-CG 3.85Å; N272-F303 HydrophobicContact CB-CZ 3.65Å; N272-F303 VanDerWaalsContact O-CB 3.28Å; N272-F303 WeakPolarHBondContact O-CB 3.49Å; F274-F303 HydrophobicContact CE2-CB 4.13Å; A299-F303 HydrophobicContact CB-CD2 3.86Å; A299-F303 HydrophobicContact CB-CE2 3.78Å; A299-F303 WeakPolarHBondContact O-CD2 3.07Å; A299-F303 PolarHBondContact O-N 3.19Å; A300-F303 PolarHBondContact O-N 3.03Å; H301-F303 VanDerWaalsContact C-N 3.31Å; F303-N305 PolarHBondContact O-N 2.66Å; F303-G306 PolarHBondContact O-N 3.14Å; F303-L327 VanDerWaalsContact O-CB 3.26Å; F303-L327 WeakPolarHBondContact O-CB 3.42Å; F303-L327 VanDerWaalsContact O-CD2 3.25Å; F303-L327 WeakPolarHBondContact O-CD2 3.19Å; F303-I340 HydrophobicContact CD1-CG1 4.45Å; F303-I340 HydrophobicContact CD1-CG2 4.22Å; F303-I340 HydrophobicContact CE1-CG2 3.95Å; F303-I340 WeakPolarHBondContact CE1-O 3.4Å; F303-T343 HydrophobicContact CD1-CG2 3.89Å; F303-T343 HydrophobicContact CD2-CG2 4.14Å; F303-T343 HydrophobicContact CE1-CG2 4.05Å; F303-T343 HydrophobicContact CE2-CG2 4.29Å; F303-T343 HydrophobicContact CG-CG2 3.97Å; F303-T343 HydrophobicContact CZ-CG2 4.27Å; F303-F344 HydrophobicContact CE1-CB 3.92Å; F303-F344 VanDerWaalsContact CZ-CA 3.46Å; F303-F344 HydrophobicContact CZ-CB 3.73Å; F303-F344 HydrophobicContact CZ-CD2 4.18Å; F303-F344 HydrophobicContact CZ-CG 4.47Å; F303-I347 HydrophobicContact CD2-CD1 3.92Å; F303-I347 HydrophobicContact CE2-CD1 3.41Å; F303-I347 VanDerWaalsContact CE2-CD1 3.41Å; F303-I347 HydrophobicContact CZ-CD1 4.05Å
304	Y	96.2	Very high	85.6	Confident	19 Å²	19	55 Å²	55	8%	0.075	31%	0.307	C	S	.	.	H	α-helix	trans	-56.5	-37.7	179.5	-59.4	-26.8	0	0	0	112.3	G273 F274 A300 N328 T582 L585	G273-Y304 WeakPolarHBondContact CA-OH 3.27Å; G273-Y304 PolarHBondContact O-OH 3.47Å; G273-Y304 VanDerWaalsContact O-OH 3.1Å; F274-Y304 HydrophobicContact CE1-CD1 4.17Å; F274-Y304 AromaticContact CE1-CE1 3.98Å; F274-Y304 HydrophobicContact CE1-CE1 3.98Å; F274-Y304 HydrophobicContact CE2-CD1 4.3Å; F274-Y304 HydrophobicContact CE2-CE1 4.35Å; F274-Y304 AromaticContact CZ-CD1 3.72Å; F274-Y304 HydrophobicContact CZ-CD1 3.72Å; F274-Y304 AromaticContact CZ-CE1 3.88Å; F274-Y304 HydrophobicContact CZ-CE1 3.88Å; A300-Y304 HydrophobicContact CB-CE2 3.86Å; A300-Y304 WeakPolarHBondContact O-CD1 3.19Å; A300-Y304 VanDerWaalsContact O-CD2 3.22Å; A300-Y304 WeakPolarHBondContact O-CD2 3.44Å; A300-Y304 PolarHBondContact O-N 3.25Å; Y304-N328 VanDerWaalsContact O-CB 3.31Å; Y304-N328 WeakPolarHBondContact O-CB 3.32Å; Y304-N328 PolarHBondContact O-N 3.29Å; Y304-N328 PolarHBondContact O-ND2 3.08Å; Y304-N328 PolarHBondContact O-OD1 3.24Å; Y304-T582 HydrophobicContact CD2-CG2 4.23Å; Y304-T582 HydrophobicContact CE2-CG2 3.81Å; Y304-L585 HydrophobicContact CD1-CD1 4.34Å; Y304-L585 HydrophobicContact CE1-CD1 3.59Å
305	N	96.2	Very high	83.5	Confident	91 Å²	91	63.5 Å²	63.5	49%	0.487	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	9.6	178.4	-55.6	-57.5	0	0	0	113	H301 F303 N328	H301-N305 PolarHBondContact O-N 2.83Å; H301-N305 VanDerWaalsContact O-N 3.16Å; H301-N305 PolarHBondContact O-ND2 2.92Å; F303-N305 PolarHBondContact O-N 2.66Å; N305-N328 PolarHBondContact OD1-ND2 2.86Å; N305-N328 VanDerWaalsContact OD1-ND2 3.17Å
306	G	93.1	Very high	81.4	Confident	6 Å²	6	62.9 Å²	62.9	6%	0.062	35%	0.347	C	S	.	.			trans	-64.4	146.8	-178.1	0	0	0	0	0	111.7	S302 F303 T326 L327 I339	S302-G306 VanDerWaalsContact O-CA 3.31Å; S302-G306 WeakPolarHBondContact O-CA 3.35Å; S302-G306 PolarHBondContact O-N 3.31Å; F303-G306 PolarHBondContact O-N 3.14Å; G306-T326 WeakPolarHBondContact O-CA 3.36Å; G306-L327 PolarHBondContact O-N 3.18Å; G306-I339 VanDerWaalsContact C-CG2 3.46Å; G306-I339 WeakPolarHBondContact O-CG2 3.44Å
307	T	91.4	Very high	79.3	Confident	54 Å²	54	73 Å²	73	33%	0.331	38%	0.381	S	S	.	.			trans	-136.7	155.7	177.2	58.9	0	0	0	0	110.4	T326	T307-T326 HydrophobicContact CG2-CG2 3.91Å
308	T	84.8	Confident	77.3	Confident	6 Å²	6	75.4 Å²	75.4	4%	0.037	40%	0.397	C	S	.	.			trans	-136.7	168.5	174.5	-172.3	0	0	0	0	111.8	L310 S324 K338 I339 D342	T308-L310 HydrophobicContact CG2-CD2 4.2Å; T308-L310 HydrophobicContact CG2-CG 4.21Å; T308-S324 PolarHBondContact N-OG 3.33Å; T308-S324 WeakPolarHBondContact O-CB 3.49Å; T308-S324 PolarHBondContact O-N 2.77Å; T308-S324 PolarHBondContact O-OG 3.45Å; T308-K338 HydrophobicContact CG2-CB 4.25Å; T308-K338 HydrophobicContact CG2-CD 4Å; T308-K338 HydrophobicContact CG2-CG 4.02Å; T308-K338 PolarHBondContact OG1-NZ 2.96Å; T308-I339 HydrophobicContact CG2-CB 4.44Å; T308-I339 HydrophobicContact CG2-CG1 3.53Å; T308-D342 WeakPolarHBondContact CB-OD2 3.38Å; T308-D342 PolarHBondContact OG1-OD2 3.3Å
309	T	80.6	Confident	75.4	Confident	69 Å²	69	74.1 Å²	74.1	42%	0.423	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	128.6	171.3	-48.6	0	0	0	0	109.7	K321 R322 K338	T309-K321 HydrophobicContact CG2-CB 3.49Å; T309-K321 VanDerWaalsContact CG2-CB 3.49Å; T309-K321 HydrophobicContact CG2-CD 3.74Å; T309-K321 HydrophobicContact CG2-CG 3.86Å; T309-R322 CarbonylContact C-O 3.58Å; T309-R322 WeakPolarHBondContact CA-O 3.43Å; T309-K338 WeakPolarHBondContact O-CE 3.26Å; T309-K338 PolarHBondContact O-NZ 3.49Å
310	L	71.9	Confident	73.8	Confident	16 Å²	16	82.1 Å²	82.1	8%	0.084	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	149.1	179.6	-66.2	167.2	0	0	0	110.6	T308 K321 R322 E335 K338	T308-L310 HydrophobicContact CG2-CD2 4.2Å; T308-L310 HydrophobicContact CG2-CG 4.21Å; L310-K321 CarbonylContact O-C 3.59Å; L310-K321 WeakPolarHBondContact O-CA 3.41Å; L310-R322 HydrophobicContact CB-CG 4.1Å; L310-R322 PolarHBondContact N-O 3.4Å; L310-R322 PolarHBondContact O-N 3.11Å; L310-E335 HydrophobicContact CD1-CB 4.45Å; L310-E335 VanDerWaalsContact CD1-CD 3.45Å; L310-E335 HydrophobicContact CD1-CG 3.61Å; L310-E335 HydrophobicContact CD2-CG 4.24Å; L310-K338 HydrophobicContact CD2-CD 3.6Å
311	P	66.6	Low	72.9	Confident	66 Å²	66	88.8 Å²	88.8	43%	0.429	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	148.8	165.1	28.8	-32.1	0	0	0	110.2
312	I	64.6	Low	72.1	Confident	88 Å²	88	88.5 Å²	88.5	45%	0.451	44%	0.444	S	S	.	.	S	Bend	trans	-75.4	-33.7	177	-70.9	-177.6	0	0	0	111.7	R320 R322	I312-R320 HydrophobicContact CB-CB 4.4Å; I312-R320 HydrophobicContact CD1-CB 3.39Å; I312-R320 HydrophobicContact CG1-CB 4.08Å; I312-R320 VanDerWaalsContact CG1-O 3.31Å; I312-R320 WeakPolarHBondContact CG1-O 3.24Å; I312-R320 PolarHBondContact N-O 2.76Å; I312-R322 HydrophobicContact CG1-CB 4.07Å; I312-R322 HydrophobicContact CG1-CG 4.31Å
313	S	55.6	Low	71.7	Confident	51 Å²	51	91.6 Å²	91.6	36%	0.357	45%	0.454	S	S	.	.			trans	-155.1	143.6	174.5	173.3	0	0	0	0	108.8	E315	S313-E315 PolarHBondContact O-N 2.86Å; S313-E315 PolarHBondContact OG-N 2.95Å; S313-E315 VanDerWaalsContact OG-N 3.08Å
314	D	53.1	Low	71.3	Confident	159 Å²	159	92 Å²	92	85%	0.85	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-15	172.1	-67.1	-32.3	0	0	0	112
315	E	48.4	Very low	71.1	Confident	183 Å²	183	97.3 Å²	97.3	86%	0.855	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-3.9	-179.5	-62.3	-177.5	169.2	0	0	114	S313 R317	S313-E315 PolarHBondContact O-N 2.86Å; S313-E315 PolarHBondContact OG-N 2.95Å; S313-E315 VanDerWaalsContact OG-N 3.08Å; E315-R317 PolarHBondContact O-N 3.13Å
316	D	48.3	Very low	71.1	Confident	77 Å²	77	94.8 Å²	94.8	41%	0.412	47%	0.468	S	S	.	.			trans	-80.6	118.4	-174.4	-111.8	-19.4	0	0	0	112.1	T318	D316-T318 PolarHBondContact O-N 3.24Å; D316-T318 VanDerWaalsContact O-N 3.11Å
317	R	50.1	Low	71.1	Confident	253 Å²	253	94.5 Å²	94.5	96%	0.955	47%	0.465	S	S	*	.	S	Bend	trans	-64	-13.8	177.7	-71.6	-177.4	175.7	-178.4	-1.5	114.4	E315	E315-R317 PolarHBondContact O-N 3.13Å
318	T	53.6	Low	71.4	Confident	84 Å²	84	93.6 Å²	93.6	52%	0.515	46%	0.459	S	S	.	.	S	Bend	trans	-122.8	118.1	171.7	50.6	0	0	0	0	108.8	D316 R320	D316-T318 PolarHBondContact O-N 3.24Å; D316-T318 VanDerWaalsContact O-N 3.11Å; T318-R320 VanDerWaalsContact C-N 3.28Å; T318-R320 PolarHBondContact O-N 3.4Å
319	P	54.2	Low	72	Confident	106 Å²	106	98.4 Å²	98.4	69%	0.688	48%	0.482	S	S	*	.			trans	-75.8	80.4	-172.4	29.9	-33.9	0	0	0	110.3
320	R	60.7	Low	72.6	Confident	174 Å²	174	95.2 Å²	95.2	66%	0.657	46%	0.462	S	S	*	.			trans	-68.4	132.8	164.6	-65.8	-177.6	-176.8	178	2.5	107.4	I312 T318	I312-R320 HydrophobicContact CB-CB 4.4Å; I312-R320 HydrophobicContact CD1-CB 3.39Å; I312-R320 HydrophobicContact CG1-CB 4.08Å; I312-R320 VanDerWaalsContact CG1-O 3.31Å; I312-R320 WeakPolarHBondContact CG1-O 3.24Å; I312-R320 PolarHBondContact N-O 2.76Å; T318-R320 VanDerWaalsContact C-N 3.28Å; T318-R320 PolarHBondContact O-N 3.4Å
321	K	74.1	Confident	73.7	Confident	158 Å²	158	97.2 Å²	97.2	69%	0.687	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	133.3	-173.8	-76.5	-178.6	-174.7	-177.4	0	109.5	T309 L310	T309-K321 HydrophobicContact CG2-CB 3.49Å; T309-K321 VanDerWaalsContact CG2-CB 3.49Å; T309-K321 HydrophobicContact CG2-CD 3.74Å; T309-K321 HydrophobicContact CG2-CG 3.86Å; L310-K321 CarbonylContact O-C 3.59Å; L310-K321 WeakPolarHBondContact O-CA 3.41Å
322	R	80.8	Confident	74.9	Confident	129 Å²	129	96 Å²	96	49%	0.487	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	153.1	172.4	70	178.4	-170.5	167.4	6.3	110.7	T309 L310 I312 E335	T309-R322 CarbonylContact C-O 3.58Å; T309-R322 WeakPolarHBondContact CA-O 3.43Å; L310-R322 HydrophobicContact CB-CG 4.1Å; L310-R322 PolarHBondContact N-O 3.4Å; L310-R322 PolarHBondContact O-N 3.11Å; I312-R322 HydrophobicContact CG1-CB 4.07Å; I312-R322 HydrophobicContact CG1-CG 4.31Å; R322-E335 IonicContact NH2-OE1 2.7Å; R322-E335 PolarHBondContact NH2-OE1 2.88Å
323	I	86.6	Confident	76	Confident	133 Å²	133	92.4 Å²	92.4	68%	0.682	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	133.4	171.7	-56.1	172	0	0	0	107.8
324	S	87.3	Confident	77.4	Confident	11 Å²	11	93.9 Å²	93.9	8%	0.077	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-65.7	166.1	174.9	74	0	0	0	0	111.1	T308 I339	T308-S324 PolarHBondContact N-OG 3.33Å; T308-S324 WeakPolarHBondContact O-CB 3.49Å; T308-S324 PolarHBondContact O-N 2.77Å; T308-S324 PolarHBondContact O-OG 3.45Å; S324-I339 WeakPolarHBondContact OG-CD1 3.4Å
325	K	91.4	Very high	79	Confident	130 Å²	130	88 Å²	88	57%	0.565	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-63.5	165.7	161.6	-65	-178.2	-179	-178.9	0	110	M329	K325-M329 HydrophobicContact CB-CB 4.44Å
326	T	95.5	Very high	80.9	Confident	38 Å²	38	79.3 Å²	79.3	23%	0.233	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-63.9	149.9	166.4	52.2	0	0	0	0	109.9	G306 T307 N328 M329 T330	G306-T326 WeakPolarHBondContact O-CA 3.36Å; T307-T326 HydrophobicContact CG2-CG2 3.91Å; T326-N328 VanDerWaalsContact C-N 3.27Å; T326-N328 VanDerWaalsContact CB-OD1 3.26Å; T326-N328 WeakPolarHBondContact CB-OD1 3.48Å; T326-N328 PolarHBondContact O-N 3.3Å; T326-N328 PolarHBondContact OG1-OD1 3.44Å; T326-M329 CarbonylContact O-C 3.58Å; T326-M329 PolarHBondContact O-N 3.2Å; T326-M329 WeakPolarHBondContact OG1-CG 3.37Å; T326-T330 PolarHBondContact O-N 3.43Å; T326-T330 PolarHBondContact O-OG1 3.11Å
327	L	94.6	Very high	82.7	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-56.4	-41.7	-177.2	-173.5	57.1	0	0	0	112.6	F274 F303 G306 M329 T330 K336 I339 I340 L580	F274-L327 HydrophobicContact CE2-CD2 3.42Å; F274-L327 VanDerWaalsContact CE2-CD2 3.42Å; F274-L327 HydrophobicContact CZ-CD2 3.43Å; F274-L327 VanDerWaalsContact CZ-CD2 3.43Å; F274-L327 HydrophobicContact CZ-CG 4.13Å; F303-L327 VanDerWaalsContact O-CB 3.26Å; F303-L327 WeakPolarHBondContact O-CB 3.42Å; F303-L327 VanDerWaalsContact O-CD2 3.25Å; F303-L327 WeakPolarHBondContact O-CD2 3.19Å; G306-L327 PolarHBondContact O-N 3.18Å; L327-M329 PolarHBondContact O-N 2.87Å; L327-M329 VanDerWaalsContact O-N 3.09Å; L327-T330 PolarHBondContact O-N 3.39Å; L327-T330 VanDerWaalsContact O-N 3.14Å; L327-K336 HydrophobicContact CD1-CB 3.94Å; L327-K336 HydrophobicContact CD1-CG 3.93Å; L327-I339 HydrophobicContact CB-CG2 3.95Å; L327-I339 HydrophobicContact CD1-CB 4.28Å; L327-I339 HydrophobicContact CD1-CD1 4.33Å; L327-I339 HydrophobicContact CD1-CG2 4.28Å; L327-I339 HydrophobicContact CD2-CG2 4.45Å; L327-I339 HydrophobicContact CG-CG2 4.46Å; L327-I340 HydrophobicContact CD1-CD1 4.34Å; L327-I340 HydrophobicContact CD1-CG1 4.2Å; L327-I340 HydrophobicContact CD2-CD1 3.98Å; L327-I340 HydrophobicContact CD2-CG1 3.49Å; L327-I340 VanDerWaalsContact CD2-CG1 3.49Å; L327-L580 HydrophobicContact CD1-CD1 3.86Å; L327-L580 HydrophobicContact CG-CD1 3.87Å
328	N	96.6	Very high	84.2	Confident	35 Å²	35	68.9 Å²	68.9	19%	0.187	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-67.8	0.4	175.8	65.3	5.3	0	0	0	115.3	Y304 N305 T326 F579 L580	Y304-N328 VanDerWaalsContact O-CB 3.31Å; Y304-N328 WeakPolarHBondContact O-CB 3.32Å; Y304-N328 PolarHBondContact O-N 3.29Å; Y304-N328 PolarHBondContact O-ND2 3.08Å; Y304-N328 PolarHBondContact O-OD1 3.24Å; N305-N328 PolarHBondContact OD1-ND2 2.86Å; N305-N328 VanDerWaalsContact OD1-ND2 3.17Å; T326-N328 VanDerWaalsContact C-N 3.27Å; T326-N328 VanDerWaalsContact CB-OD1 3.26Å; T326-N328 WeakPolarHBondContact CB-OD1 3.48Å; T326-N328 PolarHBondContact O-N 3.3Å; T326-N328 PolarHBondContact OG1-OD1 3.44Å; N328-F579 WeakPolarHBondContact O-CB 3.31Å; N328-L580 WeakPolarHBondContact CB-O 3.37Å
329	M	96.4	Very high	85.8	Confident	107 Å²	107	64.9 Å²	64.9	53%	0.527	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-126.9	6.8	174.2	-65.3	-177.4	77.9	0	0	112.4	K325 T326 L327	K325-M329 HydrophobicContact CB-CB 4.44Å; T326-M329 CarbonylContact O-C 3.58Å; T326-M329 PolarHBondContact O-N 3.2Å; T326-M329 WeakPolarHBondContact OG1-CG 3.37Å; L327-M329 PolarHBondContact O-N 2.87Å; L327-M329 VanDerWaalsContact O-N 3.09Å
330	T	95.1	Very high	87.3	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.006	28%	0.28	C	S	.	.			trans	-92.6	131.3	-175	-63.3	0	0	0	0	111	T326 L327 E335 K336 I339	T326-T330 PolarHBondContact O-N 3.43Å; T326-T330 PolarHBondContact O-OG1 3.11Å; L327-T330 PolarHBondContact O-N 3.39Å; L327-T330 VanDerWaalsContact O-N 3.14Å; T330-E335 HydrophobicContact CG2-CB 3.63Å; T330-K336 HydrophobicContact CG2-CG 3.91Å; T330-K336 WeakPolarHBondContact O-CE 3.35Å; T330-I339 HydrophobicContact CG2-CD1 4.36Å
331	T	94.8	Very high	88.4	Confident	58 Å²	58	52.7 Å²	52.7	36%	0.356	26%	0.256	S	S	.	.			trans	-101.9	-27.5	175	57.2	0	0	0	0	113.1	P333 C449 F579	T331-P333 WeakPolarHBondContact O-CD 3.41Å; T331-C449 WeakPolarHBondContact CB-O 3.5Å; T331-C449 HydrophobicContact CG2-CB 4.15Å; T331-C449 WeakPolarHBondContact CG2-O 3.47Å; T331-F579 HydrophobicContact CG2-CD1 4.23Å; T331-F579 HydrophobicContact CG2-CE1 3.76Å
332	S	91.6	Very high	88.8	Confident	40 Å²	40	47.6 Å²	47.6	28%	0.28	24%	0.237	S	C	.	.			trans	-73.8	122.7	-178.5	177	0	0	0	0	111.9	E334 E335 K336	S332-E334 VanDerWaalsContact C-N 3.35Å; S332-E334 PolarHBondContact O-N 2.72Å; S332-E335 PolarHBondContact O-N 3.18Å; S332-K336 WeakPolarHBondContact O-CG 3.32Å; S332-K336 PolarHBondContact O-N 3.36Å
333	P	88.3	Confident	89.1	Confident	14 Å²	14	42 Å²	42	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-60.4	-38.4	178.5	-30.8	41	0	0	0	114.7	T331 K336 R337 Y526 E693	T331-P333 WeakPolarHBondContact O-CD 3.41Å; P333-K336 WeakPolarHBondContact O-CB 3.42Å; P333-K336 PolarHBondContact O-N 2.73Å; P333-R337 WeakPolarHBondContact O-CG 3.45Å; P333-R337 PolarHBondContact O-N 3.06Å; P333-Y526 HydrophobicContact CB-CE1 4.05Å; P333-Y526 HydrophobicContact CG-CD1 4.45Å; P333-Y526 HydrophobicContact CG-CE1 3.67Å; P333-E693 HydrophobicContact CB-CB 3.88Å; P333-E693 HydrophobicContact CB-CG 4.3Å; P333-E693 HydrophobicContact CG-CB 3.78Å; P333-E693 HydrophobicContact CG-CG 3.64Å
334	E	83.6	Confident	89.1	Confident	82 Å²	82	37.5 Å²	37.5	38%	0.383	19%	0.193	S	C	.	.	H	α-helix	trans	-67.8	-38.9	179	-59.1	-54	151.1	0	0	111	S332 R337 K338 R524 Y526	S332-E334 VanDerWaalsContact C-N 3.35Å; S332-E334 PolarHBondContact O-N 2.72Å; E334-R337 PolarHBondContact O-N 2.95Å; E334-R337 IonicContact OE1-NH1 3.76Å; E334-K338 WeakPolarHBondContact O-CB 3.3Å; E334-K338 PolarHBondContact O-N 2.59Å; E334-R524 IonicContact OE1-CZ 2.84Å; E334-R524 VanDerWaalsContact OE1-CZ 3.28Å; E334-R524 IonicContact OE1-NE 3.38Å; E334-R524 IonicContact OE1-NH1 3.32Å; E334-R524 PolarHBondContact OE1-NH1 2.96Å; E334-R524 IonicContact OE2-NH1 2.92Å; E334-Y526 PolarHBondContact OE1-OH 2.97Å
335	E	87.5	Confident	88.6	Confident	35 Å²	35	37.7 Å²	37.7	16%	0.164	19%	0.193	C	C	.	.	H	α-helix	trans	-64.8	-42.7	172.9	-62.8	-174.1	-171.1	0	0	110.9	L310 R322 T330 S332 R337 K338 I339	L310-E335 HydrophobicContact CD1-CB 4.45Å; L310-E335 VanDerWaalsContact CD1-CD 3.45Å; L310-E335 HydrophobicContact CD1-CG 3.61Å; L310-E335 HydrophobicContact CD2-CG 4.24Å; R322-E335 IonicContact NH2-OE1 2.7Å; R322-E335 PolarHBondContact NH2-OE1 2.88Å; T330-E335 HydrophobicContact CG2-CB 3.63Å; S332-E335 PolarHBondContact O-N 3.18Å; E335-R337 PolarHBondContact O-N 3.35Å; E335-K338 PolarHBondContact O-N 3.22Å; E335-I339 WeakPolarHBondContact O-CB 3.3Å; E335-I339 WeakPolarHBondContact O-CD1 3.29Å; E335-I339 WeakPolarHBondContact O-CG1 3.39Å; E335-I339 PolarHBondContact O-N 2.98Å
336	K	88.7	Confident	88.3	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-55.7	-49.4	175.1	-68.2	175	-177.6	-179.6	0	111.2	L327 T330 S332 P333 K338 I339 I340 A444 V447 C449 L580 E693	L327-K336 HydrophobicContact CD1-CB 3.94Å; L327-K336 HydrophobicContact CD1-CG 3.93Å; T330-K336 HydrophobicContact CG2-CG 3.91Å; T330-K336 WeakPolarHBondContact O-CE 3.35Å; S332-K336 WeakPolarHBondContact O-CG 3.32Å; S332-K336 PolarHBondContact O-N 3.36Å; P333-K336 WeakPolarHBondContact O-CB 3.42Å; P333-K336 PolarHBondContact O-N 2.73Å; K336-K338 PolarHBondContact O-N 3.06Å; K336-I339 PolarHBondContact O-N 2.73Å; K336-I340 WeakPolarHBondContact O-CB 3.28Å; K336-I340 WeakPolarHBondContact O-CD1 2.98Å; K336-I340 VanDerWaalsContact O-CG1 3.24Å; K336-I340 WeakPolarHBondContact O-CG1 3.03Å; K336-I340 PolarHBondContact O-N 3.48Å; K336-A444 WeakPolarHBondContact CD-O 3.33Å; K336-A444 PolarHBondContact NZ-O 3.47Å; K336-A444 VanDerWaalsContact NZ-O 3.11Å; K336-V447 PolarHBondContact NZ-O 3.09Å; K336-C449 PolarHBondContact NZ-SG 2.94Å; K336-L580 HydrophobicContact CD-CD1 4.06Å; K336-L580 HydrophobicContact CG-CD1 4.26Å; K336-E693 IonicContact NZ-OE1 3.18Å; K336-E693 PolarHBondContact NZ-OE1 2.77Å; K336-E693 IonicContact NZ-OE2 3.2Å; K336-E693 PolarHBondContact NZ-OE2 3.41Å
337	R	85.2	Confident	87.9	Confident	38 Å²	38	36 Å²	36	14%	0.143	18%	0.183	C	C	.	.	H	α-helix	trans	-58.3	-48.1	178.1	-75.1	-178.9	175.3	90.8	9.8	111.6	P333 E334 E335 I340 G341 P441 R524 E693	P333-R337 WeakPolarHBondContact O-CG 3.45Å; P333-R337 PolarHBondContact O-N 3.06Å; E334-R337 PolarHBondContact O-N 2.95Å; E334-R337 IonicContact OE1-NH1 3.76Å; E335-R337 PolarHBondContact O-N 3.35Å; R337-I340 PolarHBondContact O-N 3.05Å; R337-G341 PolarHBondContact O-N 3.48Å; R337-P441 HydrophobicContact CG-CG 4.31Å; R337-R524 VanDerWaalsContact CZ-NH2 3.33Å; R337-E693 VanDerWaalsContact CZ-OXT 3.31Å; R337-E693 PolarHBondContact NH1-OXT 3.44Å; R337-E693 PolarHBondContact NH2-O 3.11Å; R337-E693 PolarHBondContact NH2-OXT 3.44Å
338	K	82.4	Confident	87.3	Confident	74 Å²	74	36 Å²	36	32%	0.322	18%	0.184	S	C	.	.	H	α-helix	trans	-65.9	-43.9	-178.4	-165.1	-177.8	-171.8	-64.6	0	112.1	T308 T309 L310 E334 E335 K336 G341 D342	T308-K338 HydrophobicContact CG2-CB 4.25Å; T308-K338 HydrophobicContact CG2-CD 4Å; T308-K338 HydrophobicContact CG2-CG 4.02Å; T308-K338 PolarHBondContact OG1-NZ 2.96Å; T309-K338 WeakPolarHBondContact O-CE 3.26Å; T309-K338 PolarHBondContact O-NZ 3.49Å; L310-K338 HydrophobicContact CD2-CD 3.6Å; E334-K338 WeakPolarHBondContact O-CB 3.3Å; E334-K338 PolarHBondContact O-N 2.59Å; E335-K338 PolarHBondContact O-N 3.22Å; K336-K338 PolarHBondContact O-N 3.06Å; K338-G341 PolarHBondContact O-N 2.78Å; K338-D342 IonicContact NZ-OD2 3.89Å; K338-D342 PolarHBondContact NZ-OD2 3.41Å; K338-D342 WeakPolarHBondContact O-CB 3.45Å; K338-D342 VanDerWaalsContact O-CG 3.24Å; K338-D342 PolarHBondContact O-N 3.39Å
339	I	86.3	Confident	86.4	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.7	-47.4	176.7	-66.4	163.2	0	0	0	110.6	G306 T308 S324 L327 T330 E335 K336 T343	G306-I339 VanDerWaalsContact C-CG2 3.46Å; G306-I339 WeakPolarHBondContact O-CG2 3.44Å; T308-I339 HydrophobicContact CG2-CB 4.44Å; T308-I339 HydrophobicContact CG2-CG1 3.53Å; S324-I339 WeakPolarHBondContact OG-CD1 3.4Å; L327-I339 HydrophobicContact CB-CG2 3.95Å; L327-I339 HydrophobicContact CD1-CB 4.28Å; L327-I339 HydrophobicContact CD1-CD1 4.33Å; L327-I339 HydrophobicContact CD1-CG2 4.28Å; L327-I339 HydrophobicContact CD2-CG2 4.45Å; L327-I339 HydrophobicContact CG-CG2 4.46Å; T330-I339 HydrophobicContact CG2-CD1 4.36Å; E335-I339 WeakPolarHBondContact O-CB 3.3Å; E335-I339 WeakPolarHBondContact O-CD1 3.29Å; E335-I339 WeakPolarHBondContact O-CG1 3.39Å; E335-I339 PolarHBondContact O-N 2.98Å; K336-I339 PolarHBondContact O-N 2.73Å; I339-T343 WeakPolarHBondContact O-CB 3.26Å; I339-T343 PolarHBondContact O-N 2.78Å; I339-T343 PolarHBondContact O-OG1 3.23Å
340	I	86.8	Confident	85.9	Confident	8 Å²	8	37.2 Å²	37.2	4%	0.041	19%	0.188	C	C	.	.	H	α-helix	trans	-64.1	-47	179.7	-68.6	166.6	0	0	0	110.7	F274 F303 L327 K336 R337 T343 F344 P441 A444	F274-I340 HydrophobicContact CD2-CD1 4.36Å; F274-I340 HydrophobicContact CE2-CD1 4.24Å; F274-I340 HydrophobicContact CE2-CG1 4.4Å; F303-I340 HydrophobicContact CD1-CG1 4.45Å; F303-I340 HydrophobicContact CD1-CG2 4.22Å; F303-I340 HydrophobicContact CE1-CG2 3.95Å; F303-I340 WeakPolarHBondContact CE1-O 3.4Å; L327-I340 HydrophobicContact CD1-CD1 4.34Å; L327-I340 HydrophobicContact CD1-CG1 4.2Å; L327-I340 HydrophobicContact CD2-CD1 3.98Å; L327-I340 HydrophobicContact CD2-CG1 3.49Å; L327-I340 VanDerWaalsContact CD2-CG1 3.49Å; K336-I340 WeakPolarHBondContact O-CB 3.28Å; K336-I340 WeakPolarHBondContact O-CD1 2.98Å; K336-I340 VanDerWaalsContact O-CG1 3.24Å; K336-I340 WeakPolarHBondContact O-CG1 3.03Å; K336-I340 PolarHBondContact O-N 3.48Å; R337-I340 PolarHBondContact O-N 3.05Å; I340-T343 PolarHBondContact O-N 3.13Å; I340-F344 VanDerWaalsContact O-CB 3.28Å; I340-F344 WeakPolarHBondContact O-CB 3.25Å; I340-F344 PolarHBondContact O-N 3.06Å; I340-P441 HydrophobicContact CD1-CB 3.8Å; I340-A444 HydrophobicContact CD1-CB 3.47Å; I340-A444 VanDerWaalsContact CD1-CB 3.47Å
341	G	82.9	Confident	85.5	Confident	15 Å²	15	37.4 Å²	37.4	16%	0.155	19%	0.189	C	C	.	.	H	α-helix	trans	-56.1	-55.4	176.7	0	0	0	0	0	111.4	R337 K338 T343 F344 V345	R337-G341 PolarHBondContact O-N 3.48Å; K338-G341 PolarHBondContact O-N 2.78Å; G341-T343 VanDerWaalsContact C-N 3.3Å; G341-T343 PolarHBondContact O-N 3.15Å; G341-F344 PolarHBondContact O-N 3.39Å; G341-V345 WeakPolarHBondContact O-CB 3.28Å; G341-V345 WeakPolarHBondContact O-CG2 3.09Å; G341-V345 PolarHBondContact O-N 3.25Å
342	D	81.8	Confident	84.7	Confident	52 Å²	52	35.4 Å²	35.4	28%	0.278	18%	0.176	S	C	.	.	H	α-helix	trans	-64.2	-34.4	-177.7	-67.7	-15.3	0	0	0	112.5	T308 K338 K346	T308-D342 WeakPolarHBondContact CB-OD2 3.38Å; T308-D342 PolarHBondContact OG1-OD2 3.3Å; K338-D342 IonicContact NZ-OD2 3.89Å; K338-D342 PolarHBondContact NZ-OD2 3.41Å; K338-D342 WeakPolarHBondContact O-CB 3.45Å; K338-D342 VanDerWaalsContact O-CG 3.24Å; K338-D342 PolarHBondContact O-N 3.39Å; D342-K346 WeakPolarHBondContact O-CB 3.44Å; D342-K346 WeakPolarHBondContact O-CD 3.44Å; D342-K346 WeakPolarHBondContact O-CG 3.45Å; D342-K346 PolarHBondContact O-N 3.09Å
343	T	87.9	Confident	84.2	Confident	10 Å²	10	35.7 Å²	35.7	6%	0.061	19%	0.186	C	C	.	.	H	α-helix	trans	-72.4	-45.7	178.6	-57.7	0	0	0	0	111.4	F303 I339 I340 G341 V345 K346 I347	F303-T343 HydrophobicContact CD1-CG2 3.89Å; F303-T343 HydrophobicContact CD2-CG2 4.14Å; F303-T343 HydrophobicContact CE1-CG2 4.05Å; F303-T343 HydrophobicContact CE2-CG2 4.29Å; F303-T343 HydrophobicContact CG-CG2 3.97Å; F303-T343 HydrophobicContact CZ-CG2 4.27Å; I339-T343 WeakPolarHBondContact O-CB 3.26Å; I339-T343 PolarHBondContact O-N 2.78Å; I339-T343 PolarHBondContact O-OG1 3.23Å; I340-T343 PolarHBondContact O-N 3.13Å; G341-T343 VanDerWaalsContact C-N 3.3Å; G341-T343 PolarHBondContact O-N 3.15Å; T343-V345 PolarHBondContact O-N 2.96Å; T343-K346 PolarHBondContact O-N 2.82Å; T343-I347 HydrophobicContact CG2-CD1 3.69Å; T343-I347 HydrophobicContact CG2-CG1 4.5Å; T343-I347 WeakPolarHBondContact O-CD1 3.23Å; T343-I347 VanDerWaalsContact O-CG1 3.32Å; T343-I347 WeakPolarHBondContact O-CG1 3.32Å; T343-I347 PolarHBondContact O-N 2.79Å
344	F	86.1	Confident	84.1	Confident	40 Å²	40	40.7 Å²	40.7	18%	0.175	21%	0.208	C	C	.	.	H	α-helix	trans	-54.6	-47.3	175	176.9	-93.6	0	0	0	110.9	L242 I270 F303 I340 G341 I347 A348	L242-F344 HydrophobicContact CB-CZ 4.16Å; L242-F344 HydrophobicContact CD1-CE1 3.98Å; L242-F344 HydrophobicContact CD1-CZ 4.25Å; I270-F344 HydrophobicContact CB-CD2 4.21Å; I270-F344 HydrophobicContact CB-CE2 3.97Å; I270-F344 HydrophobicContact CD1-CD2 4.11Å; I270-F344 HydrophobicContact CD1-CE2 3.88Å; I270-F344 HydrophobicContact CD1-CZ 4.27Å; I270-F344 HydrophobicContact CG1-CE2 4.33Å; I270-F344 HydrophobicContact CG2-CD2 4.36Å; F303-F344 HydrophobicContact CE1-CB 3.92Å; F303-F344 VanDerWaalsContact CZ-CA 3.46Å; F303-F344 HydrophobicContact CZ-CB 3.73Å; F303-F344 HydrophobicContact CZ-CD2 4.18Å; F303-F344 HydrophobicContact CZ-CG 4.47Å; I340-F344 VanDerWaalsContact O-CB 3.28Å; I340-F344 WeakPolarHBondContact O-CB 3.25Å; I340-F344 PolarHBondContact O-N 3.06Å; G341-F344 PolarHBondContact O-N 3.39Å; F344-I347 PolarHBondContact O-N 2.84Å; F344-A348 WeakPolarHBondContact O-CB 3.43Å; F344-A348 PolarHBondContact O-N 3.07Å
345	V	77.9	Confident	84.1	Confident	14 Å²	14	39.8 Å²	39.8	9%	0.085	20%	0.204	C	C	.	.	H	α-helix	trans	-61.6	-45.8	179.5	157.8	0	0	0	0	112.6	G341 T343 A348 N349 T395	G341-V345 WeakPolarHBondContact O-CB 3.28Å; G341-V345 WeakPolarHBondContact O-CG2 3.09Å; G341-V345 PolarHBondContact O-N 3.25Å; T343-V345 PolarHBondContact O-N 2.96Å; V345-A348 PolarHBondContact O-N 3.33Å; V345-N349 PolarHBondContact O-N 3.36Å; V345-N349 VanDerWaalsContact O-N 3.13Å; V345-T395 HydrophobicContact CB-CG2 4.15Å; V345-T395 HydrophobicContact CG1-CG2 2.82Å
346	K	83.7	Confident	83.9	Confident	118 Å²	118	45 Å²	45	51%	0.513	23%	0.233	S	C	.	.	H	α-helix	trans	-61.2	-45.9	176.7	-75.3	166	-172.8	174	0	111.7	D342 T343 N349 E350	D342-K346 WeakPolarHBondContact O-CB 3.44Å; D342-K346 WeakPolarHBondContact O-CD 3.44Å; D342-K346 WeakPolarHBondContact O-CG 3.45Å; D342-K346 PolarHBondContact O-N 3.09Å; T343-K346 PolarHBondContact O-N 2.82Å; K346-N349 PolarHBondContact O-N 2.96Å; K346-E350 PolarHBondContact O-N 2.88Å
347	I	87.4	Confident	83.5	Confident	14 Å²	14	46.1 Å²	46.1	7%	0.072	24%	0.239	C	C	.	.	H	α-helix	trans	-66.5	-40.8	-179.7	-64.7	159.8	0	0	0	110.5	I270 I297 A299 F303 T343 F344 N349 E350 V351	I270-I347 HydrophobicContact CD1-CB 4.45Å; I270-I347 HydrophobicContact CD1-CG2 4.06Å; I270-I347 HydrophobicContact CG1-CG2 4.45Å; I270-I347 HydrophobicContact CG2-CG2 4.1Å; I297-I347 HydrophobicContact CG2-CG2 4.17Å; A299-I347 HydrophobicContact CB-CD1 3.74Å; F303-I347 HydrophobicContact CD2-CD1 3.92Å; F303-I347 HydrophobicContact CE2-CD1 3.41Å; F303-I347 VanDerWaalsContact CE2-CD1 3.41Å; F303-I347 HydrophobicContact CZ-CD1 4.05Å; T343-I347 HydrophobicContact CG2-CD1 3.69Å; T343-I347 HydrophobicContact CG2-CG1 4.5Å; T343-I347 WeakPolarHBondContact O-CD1 3.23Å; T343-I347 VanDerWaalsContact O-CG1 3.32Å; T343-I347 WeakPolarHBondContact O-CG1 3.32Å; T343-I347 PolarHBondContact O-N 2.79Å; F344-I347 PolarHBondContact O-N 2.84Å; I347-N349 VanDerWaalsContact C-N 3.31Å; I347-N349 PolarHBondContact O-N 3.4Å; I347-E350 PolarHBondContact O-N 2.7Å; I347-V351 HydrophobicContact CG2-CG2 4.29Å; I347-V351 VanDerWaalsContact O-CG2 3.27Å; I347-V351 WeakPolarHBondContact O-CG2 3.22Å; I347-V351 PolarHBondContact O-N 3.33Å
348	A	82.1	Confident	83.1	Confident	2 Å²	2	50.1 Å²	50.1	2%	0.017	26%	0.257	C	S	.	.	H	α-helix	trans	-57.6	-45.9	175.7	0	0	0	0	0	111.2	L242 I270 F344 V345 E350 V351 I352	L242-A348 HydrophobicContact CD1-CB 4.01Å; L242-A348 HydrophobicContact CD2-CB 4.19Å; I270-A348 HydrophobicContact CD1-CB 3.97Å; F344-A348 WeakPolarHBondContact O-CB 3.43Å; F344-A348 PolarHBondContact O-N 3.07Å; V345-A348 PolarHBondContact O-N 3.33Å; A348-E350 PolarHBondContact O-N 3.27Å; A348-V351 PolarHBondContact O-N 2.66Å; A348-I352 WeakPolarHBondContact O-CD1 3.19Å; A348-I352 WeakPolarHBondContact O-CG1 3.41Å; A348-I352 PolarHBondContact O-N 3.15Å
349	N	79.1	Confident	82.5	Confident	46 Å²	46	48.6 Å²	48.6	25%	0.246	26%	0.255	C	S	.	.	H	α-helix	trans	-63.4	-40.6	176.1	-79.8	-8.9	0	0	0	113.2	V345 K346 I347 I352 G353 T395 L397	V345-N349 PolarHBondContact O-N 3.36Å; V345-N349 VanDerWaalsContact O-N 3.13Å; K346-N349 PolarHBondContact O-N 2.96Å; I347-N349 VanDerWaalsContact C-N 3.31Å; I347-N349 PolarHBondContact O-N 3.4Å; N349-I352 PolarHBondContact O-N 2.97Å; N349-G353 PolarHBondContact O-N 2.88Å; N349-T395 VanDerWaalsContact ND2-CG2 3.34Å; N349-T395 WeakPolarHBondContact ND2-CG2 3.45Å; N349-L397 WeakPolarHBondContact OD1-CD2 3.36Å
350	E	85.8	Confident	82	Confident	121 Å²	121	55.6 Å²	55.6	57%	0.565	29%	0.288	S	S	*	.	H	α-helix	trans	-60	-47.3	176.4	-175.1	173.2	-167.3	0	0	110.9	K346 I347 A348 I352 G353 E354	K346-E350 PolarHBondContact O-N 2.88Å; I347-E350 PolarHBondContact O-N 2.7Å; A348-E350 PolarHBondContact O-N 3.27Å; E350-I352 VanDerWaalsContact C-N 3.33Å; E350-I352 PolarHBondContact O-N 2.85Å; E350-G353 PolarHBondContact O-N 3.37Å; E350-G353 VanDerWaalsContact O-N 3.15Å; E350-E354 WeakPolarHBondContact O-CG 3.19Å; E350-E354 PolarHBondContact O-N 3.01Å
351	V	84.9	Confident	81.5	Confident	5 Å²	5	60.6 Å²	60.6	3%	0.03	31%	0.311	C	S	.	.	H	α-helix	trans	-61.9	-40.7	177.4	175.2	0	0	0	0	111.6	V268 K295 I297 I347 A348 G353 E354 M355	V268-V351 HydrophobicContact CG1-CG1 3.99Å; V268-V351 HydrophobicContact CG2-CG1 4.14Å; K295-V351 HydrophobicContact CD-CG1 4.44Å; I297-V351 HydrophobicContact CD1-CG1 4.44Å; I297-V351 HydrophobicContact CD1-CG2 3.94Å; I297-V351 HydrophobicContact CG1-CG2 3.9Å; I297-V351 HydrophobicContact CG2-CG2 4.5Å; I347-V351 HydrophobicContact CG2-CG2 4.29Å; I347-V351 VanDerWaalsContact O-CG2 3.27Å; I347-V351 WeakPolarHBondContact O-CG2 3.22Å; I347-V351 PolarHBondContact O-N 3.33Å; A348-V351 PolarHBondContact O-N 2.66Å; V351-G353 VanDerWaalsContact C-N 3.34Å; V351-E354 PolarHBondContact O-N 3.13Å; V351-M355 HydrophobicContact CG1-SD 4.03Å; V351-M355 WeakPolarHBondContact O-CG 3.48Å; V351-M355 PolarHBondContact O-N 3.3Å; V351-M355 VanDerWaalsContact O-N 3.14Å
352	I	79.6	Confident	81.6	Confident	16 Å²	16	60.3 Å²	60.3	8%	0.082	31%	0.306	C	S	.	.	H	α-helix	trans	-63.3	-43	176.5	-65.3	164.9	0	0	0	110.7	L240 A348 N349 E350 M355 L357 L397	L240-I352 HydrophobicContact CD2-CD1 3.46Å; L240-I352 VanDerWaalsContact CD2-CD1 3.46Å; L240-I352 HydrophobicContact CD2-CG1 3.42Å; L240-I352 VanDerWaalsContact CD2-CG1 3.42Å; A348-I352 WeakPolarHBondContact O-CD1 3.19Å; A348-I352 WeakPolarHBondContact O-CG1 3.41Å; A348-I352 PolarHBondContact O-N 3.15Å; N349-I352 PolarHBondContact O-N 2.97Å; E350-I352 VanDerWaalsContact C-N 3.33Å; E350-I352 PolarHBondContact O-N 2.85Å; I352-M355 PolarHBondContact O-N 3.44Å; I352-L357 HydrophobicContact CG2-CB 4.05Å; I352-L357 PolarHBondContact O-N 3.11Å; I352-L397 HydrophobicContact CB-CD2 4.3Å; I352-L397 HydrophobicContact CD1-CD2 3.87Å; I352-L397 HydrophobicContact CG2-CD2 3.94Å
353	G	81.1	Confident	81.8	Confident	46 Å²	46	58.4 Å²	58.4	47%	0.474	30%	0.296	S	S	.	.	H	α-helix	trans	-62.6	-46.5	177	0	0	0	0	0	112.8	N349 E350 V351 M355 N356	N349-G353 PolarHBondContact O-N 2.88Å; E350-G353 PolarHBondContact O-N 3.37Å; E350-G353 VanDerWaalsContact O-N 3.15Å; V351-G353 VanDerWaalsContact C-N 3.34Å; G353-M355 PolarHBondContact O-N 3.5Å; G353-N356 PolarHBondContact O-N 3.47Å
354	E	86.4	Confident	81.8	Confident	119 Å²	119	58.1 Å²	58.1	56%	0.556	29%	0.294	S	S	*	.	H	α-helix	trans	-60.5	-33	176.9	-73.4	178.8	172.4	0	0	112.9	E350 V351 N356	E350-E354 WeakPolarHBondContact O-CG 3.19Å; E350-E354 PolarHBondContact O-N 3.01Å; V351-E354 PolarHBondContact O-N 3.13Å; E354-N356 PolarHBondContact O-N 2.56Å
355	M	83.1	Confident	81.9	Confident	63 Å²	63	56.3 Å²	56.3	31%	0.31	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-0.2	178	-66.5	-177.8	77.8	0	0	113.1	I266 K295 V351 I352 G353 L357	I266-M355 HydrophobicContact CD1-CE 4.19Å; I266-M355 HydrophobicContact CG2-CE 3.55Å; I266-M355 HydrophobicContact CG2-SD 4.18Å; K295-M355 HydrophobicContact CD-SD 4.08Å; V351-M355 HydrophobicContact CG1-SD 4.03Å; V351-M355 WeakPolarHBondContact O-CG 3.48Å; V351-M355 PolarHBondContact O-N 3.3Å; V351-M355 VanDerWaalsContact O-N 3.14Å; I352-M355 PolarHBondContact O-N 3.44Å; G353-M355 PolarHBondContact O-N 3.5Å; M355-L357 HydrophobicContact CB-CD1 3.98Å; M355-L357 HydrophobicContact CB-CG 3.73Å; M355-L357 PolarHBondContact O-N 3.3Å; M355-L357 VanDerWaalsContact O-N 3.16Å; M355-L357 HydrophobicContact SD-CD1 4.45Å
356	N	83.4	Confident	82	Confident	143 Å²	143	56.9 Å²	56.9	77%	0.765	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	34.7	-176.7	-63.6	-63.3	0	0	0	112.8	G353 E354 K358	G353-N356 PolarHBondContact O-N 3.47Å; E354-N356 PolarHBondContact O-N 2.56Å; N356-K358 PolarHBondContact O-N 3.12Å
357	L	78.7	Confident	81.8	Confident	25 Å²	25	52.2 Å²	52.2	13%	0.131	27%	0.273	C	S	.	.			trans	-78.6	114.6	179	-67.8	179.5	0	0	0	109	K238 L240 I266 I352 M355 V362	K238-L357 HydrophobicContact CD-CD2 4.33Å; L240-L357 HydrophobicContact CD1-CD1 4.39Å; I266-L357 HydrophobicContact CD1-CD1 3.87Å; I266-L357 HydrophobicContact CD1-CD2 3.85Å; I352-L357 HydrophobicContact CG2-CB 4.05Å; I352-L357 PolarHBondContact O-N 3.11Å; M355-L357 HydrophobicContact CB-CD1 3.98Å; M355-L357 HydrophobicContact CB-CG 3.73Å; M355-L357 PolarHBondContact O-N 3.3Å; M355-L357 VanDerWaalsContact O-N 3.16Å; M355-L357 HydrophobicContact SD-CD1 4.45Å; L357-V362 HydrophobicContact CB-CG2 4Å; L357-V362 HydrophobicContact CD2-CG2 4.12Å; L357-V362 HydrophobicContact CG-CG2 4.46Å
358	K	77.6	Confident	81.3	Confident	121 Å²	121	53.2 Å²	53.2	53%	0.526	28%	0.28	S	S	.	.			trans	-74.8	130.2	175.2	-65.1	-178.9	-174.5	172.4	0	109.7	N356 E360 E361 V362	N356-K358 PolarHBondContact O-N 3.12Å; K358-E360 PolarHBondContact O-N 2.91Å; K358-E361 HydrophobicContact CB-CB 4.44Å; K358-E361 HydrophobicContact CB-CG 4.47Å; K358-E361 IonicContact NZ-OE1 3.97Å; K358-E361 PolarHBondContact O-N 3.44Å; K358-V362 WeakPolarHBondContact O-CG2 3.2Å; K358-V362 PolarHBondContact O-N 3.41Å
359	P	70.5	Confident	80.8	Confident	43 Å²	43	53.6 Å²	53.6	28%	0.279	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-56.6	-35.8	179.6	-25.9	36.5	0	0	0	112.6	E361 V362 L397 L401	P359-E361 PolarHBondContact O-N 2.88Å; P359-E361 VanDerWaalsContact O-N 3.17Å; P359-V362 PolarHBondContact O-N 2.65Å; P359-L397 HydrophobicContact CB-CD1 4.28Å; P359-L397 HydrophobicContact CG-CD1 3.64Å; P359-L401 HydrophobicContact CB-CD2 4.03Å
360	E	74.6	Confident	80	Confident	146 Å²	146	52.2 Å²	52.2	68%	0.682	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-62.5	-22.9	179.2	-60.5	173.5	-159.8	0	0	113.4	K358 K406	K358-E360 PolarHBondContact O-N 2.91Å; E360-K406 PolarHBondContact O-NZ 3.41Å
361	E	77.8	Confident	78.6	Confident	113 Å²	113	48.7 Å²	48.7	53%	0.528	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-111.1	1	-175.1	-65.9	177.1	-165.1	0	0	113.2	S237 K238 K358 P359	S237-E361 WeakPolarHBondContact CB-O 3.14Å; K238-E361 PolarHBondContact N-O 3.16Å; K358-E361 HydrophobicContact CB-CB 4.44Å; K358-E361 HydrophobicContact CB-CG 4.47Å; K358-E361 IonicContact NZ-OE1 3.97Å; K358-E361 PolarHBondContact O-N 3.44Å; P359-E361 PolarHBondContact O-N 2.88Å; P359-E361 VanDerWaalsContact O-N 3.17Å
362	V	83.6	Confident	77.4	Confident	9 Å²	9	51.5 Å²	51.5	6%	0.055	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.1	-171.9	179.6	0	0	0	0	112.1	K238 L240 L357 K358 P359	K238-V362 HydrophobicContact CB-CG2 4.28Å; K238-V362 CarbonylContact O-C 3.49Å; K238-V362 WeakPolarHBondContact O-CA 3.49Å; L240-V362 HydrophobicContact CB-CG1 4.06Å; L357-V362 HydrophobicContact CB-CG2 4Å; L357-V362 HydrophobicContact CD2-CG2 4.12Å; L357-V362 HydrophobicContact CG-CG2 4.46Å; K358-V362 WeakPolarHBondContact O-CG2 3.2Å; K358-V362 PolarHBondContact O-N 3.41Å; P359-V362 PolarHBondContact O-N 2.65Å
363	F	87.3	Confident	76.3	Confident	13 Å²	13	53.5 Å²	53.5	6%	0.057	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	148	168	-75.4	-95.4	0	0	0	110.6	R233 V234 K238 V239 L240 K406 I408	R233-F363 HydrophobicContact CG-CE1 4.18Å; R233-F363 WeakPolarHBondContact O-CZ 3.17Å; V234-F363 HydrophobicContact CG1-CD2 4.44Å; V234-F363 HydrophobicContact CG2-CD2 4.48Å; V234-F363 HydrophobicContact CG2-CG 4.49Å; K238-F363 PolarHBondContact O-N 2.62Å; V239-F363 CarbonylContact C-O 3.38Å; V239-F363 WeakPolarHBondContact CA-O 3.39Å; V239-F363 HydrophobicContact CG1-CB 4.44Å; V239-F363 HydrophobicContact CG2-CB 4.25Å; L240-F363 PolarHBondContact N-O 2.75Å; F363-K406 CarbonylContact C-O 3.56Å; F363-K406 VanDerWaalsContact CA-O 3.26Å; F363-K406 WeakPolarHBondContact CA-O 3.4Å; F363-K406 HydrophobicContact CD1-CB 4.17Å; F363-K406 HydrophobicContact CD1-CD 4.06Å; F363-K406 VanDerWaalsContact CD1-O 3.26Å; F363-K406 WeakPolarHBondContact CD1-O 3.31Å; F363-K406 HydrophobicContact CD2-CD 4.26Å; F363-K406 HydrophobicContact CE1-CB 4.46Å; F363-K406 HydrophobicContact CE1-CD 3.79Å; F363-K406 HydrophobicContact CE2-CD 4.01Å; F363-K406 HydrophobicContact CG-CD 4.29Å; F363-K406 HydrophobicContact CZ-CD 3.78Å; F363-I408 HydrophobicContact CD1-CG2 3.9Å; F363-I408 HydrophobicContact CE1-CG2 4.38Å
364	L	86.1	Confident	74.8	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.021	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	123.1	169.3	176.9	66.3	0	0	0	109.1	L240 L242 I398 L401 K406 V407 I408	L240-L364 HydrophobicContact CD2-CD1 4.24Å; L240-L364 HydrophobicContact CG-CD1 4.49Å; L240-L364 CarbonylContact O-C 3.45Å; L240-L364 WeakPolarHBondContact O-CA 3.32Å; L242-L364 HydrophobicContact CD1-CD1 4.39Å; L242-L364 HydrophobicContact CG-CD1 4.21Å; L364-I398 HydrophobicContact CD2-CD1 4.41Å; L364-I398 HydrophobicContact CD2-CG1 3.91Å; L364-I398 HydrophobicContact CD2-CG2 4.21Å; L364-L401 HydrophobicContact CB-CD1 4.16Å; L364-K406 PolarHBondContact N-O 2.84Å; L364-V407 HydrophobicContact CB-CG2 4.48Å; L364-V407 HydrophobicContact CD2-CG2 4.49Å; L364-V407 CarbonylContact O-C 3.55Å; L364-V407 VanDerWaalsContact O-CA 3.3Å; L364-V407 WeakPolarHBondContact O-CA 3.31Å; L364-I408 PolarHBondContact O-N 3Å
365	A	88.2	Confident	72.8	Confident	2 Å²	2	49.3 Å²	49.3	2%	0.017	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	139.4	174.8	0	0	0	0	0	112.1	V239 L240 V241 L256 I408	V239-A365 HydrophobicContact CG1-CB 3.65Å; L240-A365 PolarHBondContact O-N 3.12Å; V241-A365 HydrophobicContact CB-CB 4.31Å; V241-A365 HydrophobicContact CG2-CB 4.48Å; L256-A365 HydrophobicContact CD1-CB 3.43Å; L256-A365 VanDerWaalsContact CD1-CB 3.43Å; L256-A365 HydrophobicContact CD2-CB 4.39Å; L256-A365 HydrophobicContact CG-CB 4.48Å; A365-I408 VanDerWaalsContact CA-O 3.3Å; A365-I408 WeakPolarHBondContact CA-O 3.45Å; A365-I408 HydrophobicContact CB-CD1 4.22Å; A365-I408 HydrophobicContact CB-CG1 3.81Å
366	Q	81.8	Confident	70.8	Confident	26 Å²	26	49 Å²	49	12%	0.121	26%	0.259	C	S	.	.			trans	-125.2	143.8	175.5	-59.1	-169.1	-61.2	0	0	110.9	T368 N393 V407 I408 E409 P410	Q366-T368 PolarHBondContact O-N 3.44Å; Q366-N393 PolarHBondContact NE2-ND2 3.34Å; Q366-V407 HydrophobicContact CG-CG1 4.44Å; Q366-I408 PolarHBondContact N-O 3.47Å; Q366-E409 HydrophobicContact CB-CG 4.27Å; Q366-P410 WeakPolarHBondContact O-CD 3.45Å
367	G	79.5	Confident	68.5	Low	20 Å²	20	44.7 Å²	44.7	21%	0.206	24%	0.243	C	C	.	.			trans	-82.7	27.1	175.1	0	0	0	0	0	113.7	D248	D248-G367 WeakPolarHBondContact CB-O 3.14Å
368	T	76	Confident	66.4	Low	34 Å²	34	45.6 Å²	45.6	21%	0.209	25%	0.252	C	S	.	.			trans	-63.1	136.3	-178.3	-47.4	0	0	0	0	110.4	Q366 D372 L411 K412	Q366-T368 PolarHBondContact O-N 3.44Å; T368-D372 HydrophobicContact CG2-CB 3.74Å; T368-L411 CarbonylContact O-C 3.56Å; T368-L411 VanDerWaalsContact O-C 3.27Å; T368-K412 PolarHBondContact O-N 3.4Å
369	L	72.1	Confident	64.5	Low	11 Å²	11	42.2 Å²	42.2	6%	0.058	24%	0.239	C	C	.	.			trans	-100.6	165.5	-177.5	-59.7	-175	0	0	0	112.4	P371 D372 L373 L411 K416 V419	L369-P371 VanDerWaalsContact C-CD 3.45Å; L369-D372 PolarHBondContact N-OD2 2.97Å; L369-D372 WeakPolarHBondContact O-CB 3.23Å; L369-D372 PolarHBondContact O-N 2.8Å; L369-D372 VanDerWaalsContact O-N 3.11Å; L369-L373 PolarHBondContact O-N 3.1Å; L369-L411 HydrophobicContact CD2-CB 3.62Å; L369-L411 HydrophobicContact CD2-CD1 4.14Å; L369-K416 HydrophobicContact CD1-CB 4.3Å; L369-K416 HydrophobicContact CD1-CD 3.69Å; L369-V419 HydrophobicContact CD1-CG2 4.44Å; L369-V419 HydrophobicContact CD2-CG2 3.48Å; L369-V419 VanDerWaalsContact CD2-CG2 3.48Å
370	R	62.9	Low	62.5	Low	16 Å²	16	46.3 Å²	46.3	6%	0.06	26%	0.263	C	S	.	.	H	α-helix	trans	-53	-43.4	176.4	-152.2	176.9	-162.9	-170.3	10.4	114	D42 R46 S52 E53 D372 L373 I374 K412	D42-R370 IonicContact OD1-NH1 2.84Å; D42-R370 PolarHBondContact OD1-NH1 2.85Å; D42-R370 IonicContact OD2-NH1 3.74Å; D42-R370 PolarHBondContact OD2-NH1 3Å; R46-R370 VanDerWaalsContact CZ-NH1 3.31Å; S52-R370 PolarHBondContact O-NH1 3.1Å; S52-R370 PolarHBondContact O-NH2 3.18Å; E53-R370 IonicContact OE1-NH2 3.61Å; E53-R370 PolarHBondContact OE1-NH2 2.77Å; E53-R370 IonicContact OE2-NH2 2.91Å; E53-R370 PolarHBondContact OE2-NH2 3.06Å; R370-D372 PolarHBondContact O-N 2.59Å; R370-L373 PolarHBondContact O-N 3.2Å; R370-L373 VanDerWaalsContact O-N 3.13Å; R370-I374 HydrophobicContact CG-CD1 3.76Å; R370-I374 HydrophobicContact CG-CG1 4.1Å; R370-I374 WeakPolarHBondContact O-CG1 3.41Å; R370-I374 PolarHBondContact O-N 3.45Å; R370-K412 WeakPolarHBondContact CA-O 3.19Å; R370-K412 WeakPolarHBondContact CB-O 3.19Å; R370-K412 WeakPolarHBondContact CG-O 3.4Å; R370-K412 PolarHBondContact N-O 2.69Å
371	P	55.5	Low	60.4	Low	47 Å²	47	42.4 Å²	42.4	31%	0.305	26%	0.256	S	S	.	.	H	α-helix	trans	-59.2	-33.2	179.3	-25.4	36	0	0	0	113.4	L369 E375	L369-P371 VanDerWaalsContact C-CD 3.45Å; P371-E375 WeakPolarHBondContact O-CB 3.44Å; P371-E375 WeakPolarHBondContact O-CG 3.41Å; P371-E375 PolarHBondContact O-N 2.7Å
372	D	59.3	Low	58.2	Low	64 Å²	64	39.9 Å²	39.9	34%	0.342	25%	0.251	S	S	.	.	H	α-helix	trans	-70.1	-37.6	178.4	-57.4	-53.8	0	0	0	111.3	T368 L369 R370 S376	T368-D372 HydrophobicContact CG2-CB 3.74Å; L369-D372 PolarHBondContact N-OD2 2.97Å; L369-D372 WeakPolarHBondContact O-CB 3.23Å; L369-D372 PolarHBondContact O-N 2.8Å; L369-D372 VanDerWaalsContact O-N 3.11Å; R370-D372 PolarHBondContact O-N 2.59Å; D372-S376 PolarHBondContact O-N 3.29Å; D372-S376 PolarHBondContact O-OG 3.2Å
373	L	57.6	Low	55.4	Low	59 Å²	59	43.5 Å²	43.5	31%	0.309	29%	0.29	S	S	.	.	H	α-helix	trans	-73	-40.9	174.8	-71	175.6	0	0	0	112.2	L369 R370 S376 A377 K412	L369-L373 PolarHBondContact O-N 3.1Å; R370-L373 PolarHBondContact O-N 3.2Å; R370-L373 VanDerWaalsContact O-N 3.13Å; L373-S376 CarbonylContact O-C 3.5Å; L373-S376 WeakPolarHBondContact O-CB 3.36Å; L373-S376 PolarHBondContact O-N 2.74Å; L373-A377 VanDerWaalsContact O-CB 3.29Å; L373-A377 WeakPolarHBondContact O-CB 3.48Å; L373-A377 PolarHBondContact O-N 3.18Å; L373-K412 HydrophobicContact CD1-CB 3.43Å; L373-K412 VanDerWaalsContact CD1-CB 3.43Å; L373-K412 HydrophobicContact CD1-CG 4.5Å
374	I	49.1	Very low	52.5	Low	27 Å²	27	52.8 Å²	52.8	14%	0.138	33%	0.33	C	S	.	.	H	α-helix	trans	-68.8	-37.4	177.3	-59.6	166.2	0	0	0	110	K39 I54 R370 S376 A377 S378	K39-I374 HydrophobicContact CD-CG2 4.39Å; K39-I374 HydrophobicContact CG-CG2 4.38Å; I54-I374 HydrophobicContact CD1-CD1 4.32Å; R370-I374 HydrophobicContact CG-CD1 3.76Å; R370-I374 HydrophobicContact CG-CG1 4.1Å; R370-I374 WeakPolarHBondContact O-CG1 3.41Å; R370-I374 PolarHBondContact O-N 3.45Å; I374-S376 VanDerWaalsContact C-N 3.29Å; I374-S376 PolarHBondContact O-N 3.46Å; I374-A377 PolarHBondContact O-N 2.88Å; I374-S378 WeakPolarHBondContact CG2-OG 3.4Å; I374-S378 WeakPolarHBondContact O-CA 3.29Å; I374-S378 WeakPolarHBondContact O-CB 3.43Å; I374-S378 PolarHBondContact O-N 2.96Å; I374-S378 PolarHBondContact O-OG 2.86Å
375	E	44.5	Very low	49.5	Very low	49 Å²	49	55 Å²	55	23%	0.229	35%	0.349	C	S	.	.	H	α-helix	trans	-55	-49.6	169.1	-82	-177.8	177.6	0	0	110.3	P371 A377 S378 L379 K389 M646	P371-E375 WeakPolarHBondContact O-CB 3.44Å; P371-E375 WeakPolarHBondContact O-CG 3.41Å; P371-E375 PolarHBondContact O-N 2.7Å; E375-A377 PolarHBondContact O-N 3.34Å; E375-S378 PolarHBondContact O-N 2.81Å; E375-L379 WeakPolarHBondContact O-CD1 2.98Å; E375-L379 PolarHBondContact O-N 2.71Å; E375-K389 IonicContact OE2-NZ 2.69Å; E375-K389 PolarHBondContact OE2-NZ 3.39Å; E375-M646 WeakPolarHBondContact OE1-CE 3.33Å
376	S	40.3	Very low	46.4	Very low	57 Å²	57	63.2 Å²	63.2	40%	0.399	39%	0.387	S	S	.	.	H	α-helix	trans	-60.9	-40.4	177	-52.9	0	0	0	0	113	D372 L373 I374 V380	D372-S376 PolarHBondContact O-N 3.29Å; D372-S376 PolarHBondContact O-OG 3.2Å; L373-S376 CarbonylContact O-C 3.5Å; L373-S376 WeakPolarHBondContact O-CB 3.36Å; L373-S376 PolarHBondContact O-N 2.74Å; I374-S376 VanDerWaalsContact C-N 3.29Å; I374-S376 PolarHBondContact O-N 3.46Å; S376-V380 WeakPolarHBondContact O-CG2 3.38Å; S376-V380 PolarHBondContact O-N 2.81Å
377	A	35.1	Very low	43.7	Very low	53 Å²	53	68.5 Å²	68.5	44%	0.438	42%	0.415	S	S	.	.	H	α-helix	trans	-80	-31.2	-178.3	0	0	0	0	0	113.3	L373 I374 E375 L379 V380 A381	L373-A377 VanDerWaalsContact O-CB 3.29Å; L373-A377 WeakPolarHBondContact O-CB 3.48Å; L373-A377 PolarHBondContact O-N 3.18Å; I374-A377 PolarHBondContact O-N 2.88Å; E375-A377 PolarHBondContact O-N 3.34Å; A377-L379 VanDerWaalsContact C-N 3.26Å; A377-L379 PolarHBondContact O-N 2.85Å; A377-V380 CarbonylContact O-C 3.59Å; A377-V380 PolarHBondContact O-N 3.48Å; A377-V380 VanDerWaalsContact O-N 3.12Å; A377-A381 WeakPolarHBondContact O-CB 3.47Å; A377-A381 PolarHBondContact O-N 2.74Å
378	S	34.8	Very low	41.3	Very low	44 Å²	44	74.9 Å²	74.9	31%	0.308	44%	0.443	S	S	.	.	H	α-helix	trans	-67	-32.2	173.6	-54	0	0	0	0	110.3	I374 E375 S382	I374-S378 WeakPolarHBondContact CG2-OG 3.4Å; I374-S378 WeakPolarHBondContact O-CA 3.29Å; I374-S378 WeakPolarHBondContact O-CB 3.43Å; I374-S378 PolarHBondContact O-N 2.96Å; I374-S378 PolarHBondContact O-OG 2.86Å; E375-S378 PolarHBondContact O-N 2.81Å; S378-S382 WeakPolarHBondContact O-CA 3.39Å; S378-S382 WeakPolarHBondContact O-CB 3.46Å; S378-S382 PolarHBondContact O-N 3.11Å; S378-S382 PolarHBondContact O-OG 2.83Å
379	L	37.3	Very low	39.1	Very low	49 Å²	49	78.4 Å²	78.4	26%	0.257	46%	0.456	S	S	.	.	H	α-helix	trans	-67.5	-34.5	170	-92.5	91.9	0	0	0	112.8	E375 A377 A385 L387	E375-L379 WeakPolarHBondContact O-CD1 2.98Å; E375-L379 PolarHBondContact O-N 2.71Å; A377-L379 VanDerWaalsContact C-N 3.26Å; A377-L379 PolarHBondContact O-N 2.85Å; L379-A385 HydrophobicContact CD1-CB 4.24Å; L379-A385 WeakPolarHBondContact CD2-O 3.49Å; L379-A385 HydrophobicContact CG-CB 3.85Å; L379-L387 HydrophobicContact CD2-CB 4.49Å; L379-L387 HydrophobicContact CD2-CD2 4.39Å; L379-L387 HydrophobicContact CD2-CG 4.02Å
380	V	28.5	Very low	37.1	Very low	129 Å²	129	82.6 Å²	82.6	78%	0.782	48%	0.482	S	S	*	.	H	α-helix	trans	-78.2	-37.5	176.8	174.8	0	0	0	0	111.6	S376 A377	S376-V380 WeakPolarHBondContact O-CG2 3.38Å; S376-V380 PolarHBondContact O-N 2.81Å; A377-V380 CarbonylContact O-C 3.59Å; A377-V380 PolarHBondContact O-N 3.48Å; A377-V380 VanDerWaalsContact O-N 3.12Å
381	A	30.6	Very low	36	Very low	64 Å²	64	87 Å²	87	53%	0.529	50%	0.503	S	S	.	.	H	α-helix	trans	-83.7	-32.2	-177.2	0	0	0	0	0	113	A377	A377-A381 WeakPolarHBondContact O-CB 3.47Å; A377-A381 PolarHBondContact O-N 2.74Å
382	S	31.3	Very low	35.3	Very low	61 Å²	61	90 Å²	90	43%	0.427	51%	0.512	S	S	.	.	S	Bend	trans	-114.5	97.8	172	73.6	0	0	0	0	108.3	S378 K384	S378-S382 WeakPolarHBondContact O-CA 3.39Å; S378-S382 WeakPolarHBondContact O-CB 3.46Å; S378-S382 PolarHBondContact O-N 3.11Å; S378-S382 PolarHBondContact O-OG 2.83Å; S382-K384 PolarHBondContact O-N 2.93Å
383	G	26.3	Very low	34.7	Very low	85 Å²	85	89.4 Å²	89.4	88%	0.876	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	26.7	-176.1	0	0	0	0	0	116.2
384	K	25.6	Very low	34.1	Very low	208 Å²	208	91.1 Å²	91.1	90%	0.904	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	-2.2	-174.2	-100.3	-173.3	174.8	179.7	0	115	S382	S382-K384 PolarHBondContact O-N 2.93Å
385	A	24	Very low	34.2	Very low	51 Å²	51	90.6 Å²	90.6	42%	0.421	52%	0.517	S	S	.	.			trans	-106.7	128	-177.7	0	0	0	0	0	112.2	L379	L379-A385 HydrophobicContact CD1-CB 4.24Å; L379-A385 WeakPolarHBondContact CD2-O 3.49Å; L379-A385 HydrophobicContact CG-CB 3.85Å
386	E	22.6	Very low	34.7	Very low	174 Å²	174	93.2 Å²	93.2	81%	0.813	53%	0.529	S	S	*	.			trans	-71.9	146.3	176	-74.7	-174.3	159.8	0	0	112.2	I388	E386-I388 PolarHBondContact O-N 3.17Å
387	L	25.8	Very low	35.4	Very low	136 Å²	136	92.1 Å²	92.1	71%	0.712	52%	0.519	S	S	*	.			trans	-64.1	91.9	179.3	-89	146.3	0	0	0	111.7	L379	L379-L387 HydrophobicContact CD2-CB 4.49Å; L379-L387 HydrophobicContact CD2-CD2 4.39Å; L379-L387 HydrophobicContact CD2-CG 4.02Å
388	I	27.2	Very low	36.7	Very low	154 Å²	154	89.9 Å²	89.9	79%	0.79	50%	0.499	S	S	*	.			trans	-79.5	-17.6	177.4	-66.5	168.2	0	0	0	112.3	E386	E386-I388 PolarHBondContact O-N 3.17Å
389	K	30.8	Very low	38.2	Very low	109 Å²	109	93 Å²	93	47%	0.474	50%	0.504	S	S	.	.			trans	-125.8	95.9	177.3	-64.9	-169.1	-174.4	142.1	0	111.3	E375 H391	E375-K389 IonicContact OE2-NZ 2.69Å; E375-K389 PolarHBondContact OE2-NZ 3.39Å; K389-H391 PolarHBondContact O-N 3.28Å
390	T	30.6	Very low	39.6	Very low	99 Å²	99	95.1 Å²	95.1	61%	0.607	51%	0.512	S	S	*	.			trans	-60.8	127.5	161.1	50.6	0	0	0	0	108.5	H392	T390-H392 PolarHBondContact O-CD2 3.43Å; T390-H392 PolarHBondContact O-N 2.89Å
391	H	39.6	Very low	41.4	Very low	109 Å²	109	89.4 Å²	89.4	51%	0.505	48%	0.477	S	S	.	.			trans	-54.9	104.2	179.6	-68.1	-66.8	0	0	0	110.4	K389 N393	K389-H391 PolarHBondContact O-N 3.28Å; H391-N393 PolarHBondContact O-N 2.81Å
392	H	40.8	Very low	43.2	Very low	108 Å²	108	90.9 Å²	90.9	50%	0.5	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	7.9	-174.9	-76.5	-69.2	0	0	0	114.3	T390	T390-H392 PolarHBondContact O-CD2 3.43Å; T390-H392 PolarHBondContact O-N 2.89Å
393	N	45.3	Very low	45	Very low	53 Å²	53	94.3 Å²	94.3	28%	0.283	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132	23.4	-172.9	-77.1	-30.4	0	0	0	113.2	Q366 H391 T395 I398	Q366-N393 PolarHBondContact NE2-ND2 3.34Å; H391-N393 PolarHBondContact O-N 2.81Å; N393-T395 PolarHBondContact O-N 3.03Å; N393-I398 HydrophobicContact CB-CD1 4.42Å; N393-I398 WeakPolarHBondContact O-CB 3.13Å; N393-I398 WeakPolarHBondContact O-CD1 3.49Å; N393-I398 VanDerWaalsContact O-CG2 3.29Å; N393-I398 WeakPolarHBondContact O-CG2 3.43Å
394	D	45.3	Very low	47.3	Very low	94 Å²	94	94.8 Å²	94.8	50%	0.503	46%	0.457	S	S	.	.			trans	-84.8	99.3	178.1	-87.3	-10	0	0	0	111.7
395	T	52.3	Low	49.5	Very low	16 Å²	16	86.1 Å²	86.1	10%	0.098	43%	0.426	C	S	.	.			trans	-103.5	164.6	159.9	49.6	0	0	0	0	111.6	V345 N349 N393 L397 I398 R399	V345-T395 HydrophobicContact CB-CG2 4.15Å; V345-T395 HydrophobicContact CG1-CG2 2.82Å; N349-T395 VanDerWaalsContact ND2-CG2 3.34Å; N349-T395 WeakPolarHBondContact ND2-CG2 3.45Å; N393-T395 PolarHBondContact O-N 3.03Å; T395-L397 PolarHBondContact O-N 3.44Å; T395-L397 PolarHBondContact OG1-N 2.98Å; T395-I398 HydrophobicContact CG2-CD1 4.47Å; T395-I398 PolarHBondContact O-N 3.39Å; T395-I398 VanDerWaalsContact OG1-CB 3.29Å; T395-I398 WeakPolarHBondContact OG1-CB 3.33Å; T395-I398 VanDerWaalsContact OG1-CG1 3.23Å; T395-I398 WeakPolarHBondContact OG1-CG1 3.3Å; T395-I398 PolarHBondContact OG1-N 3.24Å; T395-R399 WeakPolarHBondContact O-CA 3.16Å; T395-R399 WeakPolarHBondContact O-CB 3.23Å; T395-R399 PolarHBondContact O-N 2.93Å
396	E	54.7	Low	52.1	Low	105 Å²	105	85.3 Å²	85.3	49%	0.491	41%	0.414	S	S	.	.	H	α-helix	trans	-51.8	-36.4	164.9	-164.8	60.6	-160.9	0	0	113.2	R399 K400	E396-R399 VanDerWaalsContact CD-NH2 3.26Å; E396-R399 IonicContact OE1-CZ 2.93Å; E396-R399 IonicContact OE1-NH2 3.48Å; E396-R399 PolarHBondContact OE1-NH2 2.76Å; E396-R399 IonicContact OE2-CZ 3.22Å; E396-R399 IonicContact OE2-NE 3.34Å; E396-R399 PolarHBondContact OE2-NE 3.14Å; E396-R399 IonicContact OE2-NH2 2.8Å; E396-R399 PolarHBondContact OE2-NH2 3.39Å; E396-K400 WeakPolarHBondContact O-CB 3.37Å; E396-K400 VanDerWaalsContact O-CG 3.24Å; E396-K400 WeakPolarHBondContact O-CG 3.42Å; E396-K400 PolarHBondContact O-N 3.3Å
397	L	55.9	Low	55	Low	34 Å²	34	78.1 Å²	78.1	18%	0.178	38%	0.382	C	S	.	.	H	α-helix	trans	-77.7	-46.5	-179.8	-172	66.1	0	0	0	112.8	N349 I352 P359 T395 R399 K400 L401	N349-L397 WeakPolarHBondContact OD1-CD2 3.36Å; I352-L397 HydrophobicContact CB-CD2 4.3Å; I352-L397 HydrophobicContact CD1-CD2 3.87Å; I352-L397 HydrophobicContact CG2-CD2 3.94Å; P359-L397 HydrophobicContact CB-CD1 4.28Å; P359-L397 HydrophobicContact CG-CD1 3.64Å; T395-L397 PolarHBondContact O-N 3.44Å; T395-L397 PolarHBondContact OG1-N 2.98Å; L397-R399 PolarHBondContact O-N 3.49Å; L397-K400 PolarHBondContact O-N 3.25Å; L397-L401 HydrophobicContact CG-CD1 4.35Å; L397-L401 WeakPolarHBondContact O-CB 3.36Å; L397-L401 VanDerWaalsContact O-CG 3.31Å; L397-L401 WeakPolarHBondContact O-CG 3.29Å; L397-L401 PolarHBondContact O-N 3.12Å
398	I	62.2	Low	57.8	Low	5 Å²	5	72.5 Å²	72.5	3%	0.026	35%	0.352	C	S	.	.	H	α-helix	trans	-65.5	-34.8	175.4	-66.5	168.4	0	0	0	109.7	L364 N393 T395 L401 R402	L364-I398 HydrophobicContact CD2-CD1 4.41Å; L364-I398 HydrophobicContact CD2-CG1 3.91Å; L364-I398 HydrophobicContact CD2-CG2 4.21Å; N393-I398 HydrophobicContact CB-CD1 4.42Å; N393-I398 WeakPolarHBondContact O-CB 3.13Å; N393-I398 WeakPolarHBondContact O-CD1 3.49Å; N393-I398 VanDerWaalsContact O-CG2 3.29Å; N393-I398 WeakPolarHBondContact O-CG2 3.43Å; T395-I398 HydrophobicContact CG2-CD1 4.47Å; T395-I398 PolarHBondContact O-N 3.39Å; T395-I398 VanDerWaalsContact OG1-CB 3.29Å; T395-I398 WeakPolarHBondContact OG1-CB 3.33Å; T395-I398 VanDerWaalsContact OG1-CG1 3.23Å; T395-I398 WeakPolarHBondContact OG1-CG1 3.3Å; T395-I398 PolarHBondContact OG1-N 3.24Å; I398-L401 PolarHBondContact O-N 2.84Å; I398-R402 WeakPolarHBondContact O-CB 3.41Å; I398-R402 PolarHBondContact O-N 2.89Å
399	R	64.8	Low	60.6	Low	109 Å²	109	67.3 Å²	67.3	41%	0.411	32%	0.324	S	S	.	.	H	α-helix	trans	-64.8	-46.8	172.8	-172.4	177.5	72.1	143.1	3.4	110.7	T395 E396 L397 R402 E403	T395-R399 WeakPolarHBondContact O-CA 3.16Å; T395-R399 WeakPolarHBondContact O-CB 3.23Å; T395-R399 PolarHBondContact O-N 2.93Å; E396-R399 VanDerWaalsContact CD-NH2 3.26Å; E396-R399 IonicContact OE1-CZ 2.93Å; E396-R399 IonicContact OE1-NH2 3.48Å; E396-R399 PolarHBondContact OE1-NH2 2.76Å; E396-R399 IonicContact OE2-CZ 3.22Å; E396-R399 IonicContact OE2-NE 3.34Å; E396-R399 PolarHBondContact OE2-NE 3.14Å; E396-R399 IonicContact OE2-NH2 2.8Å; E396-R399 PolarHBondContact OE2-NH2 3.39Å; L397-R399 PolarHBondContact O-N 3.49Å; R399-R402 CarbonylContact O-C 3.56Å; R399-R402 PolarHBondContact O-N 2.95Å; R399-E403 HydrophobicContact CG-CG 4.3Å; R399-E403 WeakPolarHBondContact CG-OE1 3.39Å; R399-E403 IonicContact NE-OE1 2.65Å; R399-E403 VanDerWaalsContact O-CB 3.31Å; R399-E403 WeakPolarHBondContact O-CB 3.17Å; R399-E403 VanDerWaalsContact O-CG 3.23Å; R399-E403 WeakPolarHBondContact O-CG 3.49Å; R399-E403 PolarHBondContact O-N 3.19Å
400	K	67	Low	63.3	Low	95 Å²	95	62.7 Å²	62.7	41%	0.413	31%	0.305	S	S	.	.	H	α-helix	trans	-59.8	-48	172.2	-78.6	177.5	-178.9	-171.6	0	112.4	E396 L397 R402 E403 E404	E396-K400 WeakPolarHBondContact O-CB 3.37Å; E396-K400 VanDerWaalsContact O-CG 3.24Å; E396-K400 WeakPolarHBondContact O-CG 3.42Å; E396-K400 PolarHBondContact O-N 3.3Å; L397-K400 PolarHBondContact O-N 3.25Å; K400-R402 PolarHBondContact O-N 3.34Å; K400-E403 PolarHBondContact O-N 3.45Å; K400-E404 VanDerWaalsContact O-CB 3.29Å; K400-E404 WeakPolarHBondContact O-CB 3.41Å; K400-E404 VanDerWaalsContact O-CG 3.24Å; K400-E404 WeakPolarHBondContact O-CG 3.14Å; K400-E404 PolarHBondContact O-N 3.08Å
401	L	67.3	Low	65.9	Low	9 Å²	9	58 Å²	58	5%	0.047	28%	0.276	C	S	.	.	H	α-helix	trans	-60.6	-35.4	175.6	-71.2	169.6	0	0	0	111.7	P359 L364 L397 I398 G405 K406 V407	P359-L401 HydrophobicContact CB-CD2 4.03Å; L364-L401 HydrophobicContact CB-CD1 4.16Å; L397-L401 HydrophobicContact CG-CD1 4.35Å; L397-L401 WeakPolarHBondContact O-CB 3.36Å; L397-L401 VanDerWaalsContact O-CG 3.31Å; L397-L401 WeakPolarHBondContact O-CG 3.29Å; L397-L401 PolarHBondContact O-N 3.12Å; I398-L401 PolarHBondContact O-N 2.84Å; L401-G405 PolarHBondContact O-N 2.82Å; L401-K406 HydrophobicContact CB-CB 4.25Å; L401-K406 HydrophobicContact CD2-CB 3.8Å; L401-K406 HydrophobicContact CD2-CG 4.32Å; L401-K406 WeakPolarHBondContact O-CA 3.31Å; L401-K406 WeakPolarHBondContact O-CB 3.24Å; L401-K406 PolarHBondContact O-N 3.48Å; L401-V407 HydrophobicContact CB-CG2 4.34Å
402	R	67.6	Low	67.9	Low	94 Å²	94	56.2 Å²	56.2	36%	0.355	27%	0.267	S	S	.	.	H	α-helix	trans	-72.3	-44.9	176.3	-173.5	-176.1	-69.3	-93.4	-6.1	111.4	I398 R399 K400 E404 G405 V407	I398-R402 WeakPolarHBondContact O-CB 3.41Å; I398-R402 PolarHBondContact O-N 2.89Å; R399-R402 CarbonylContact O-C 3.56Å; R399-R402 PolarHBondContact O-N 2.95Å; K400-R402 PolarHBondContact O-N 3.34Å; R402-E404 VanDerWaalsContact C-N 3.29Å; R402-E404 PolarHBondContact O-N 3.01Å; R402-G405 PolarHBondContact O-N 3.4Å; R402-V407 HydrophobicContact CB-CG2 4.11Å
403	E	69.6	Low	69.6	Low	134 Å²	134	53.2 Å²	53.2	63%	0.626	26%	0.255	S	S	*	.	H	α-helix	trans	-61.1	-37.2	175.4	-75.3	173.3	-175	0	0	111.4	R399 K400 G405	R399-E403 HydrophobicContact CG-CG 4.3Å; R399-E403 WeakPolarHBondContact CG-OE1 3.39Å; R399-E403 IonicContact NE-OE1 2.65Å; R399-E403 VanDerWaalsContact O-CB 3.31Å; R399-E403 WeakPolarHBondContact O-CB 3.17Å; R399-E403 VanDerWaalsContact O-CG 3.23Å; R399-E403 WeakPolarHBondContact O-CG 3.49Å; R399-E403 PolarHBondContact O-N 3.19Å; K400-E403 PolarHBondContact O-N 3.45Å; E403-G405 VanDerWaalsContact C-N 3.26Å; E403-G405 PolarHBondContact O-N 3.25Å
404	E	74.1	Confident	71.3	Confident	95 Å²	95	50.9 Å²	50.9	44%	0.444	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-1	175	-68.1	171.3	-158.5	0	0	113.2	K400 R402 K406	K400-E404 VanDerWaalsContact O-CB 3.29Å; K400-E404 WeakPolarHBondContact O-CB 3.41Å; K400-E404 VanDerWaalsContact O-CG 3.24Å; K400-E404 WeakPolarHBondContact O-CG 3.14Å; K400-E404 PolarHBondContact O-N 3.08Å; R402-E404 VanDerWaalsContact C-N 3.29Å; R402-E404 PolarHBondContact O-N 3.01Å; E404-K406 VanDerWaalsContact C-N 3.27Å; E404-K406 HydrophobicContact CB-CG 3.95Å; E404-K406 PolarHBondContact O-N 3.1Å
405	G	71.8	Confident	72.8	Confident	25 Å²	25	47.5 Å²	47.5	26%	0.258	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	25.9	-179.5	0	0	0	0	0	114.2	R233 L401 R402 E403	R233-G405 PolarHBondContact NH2-O 3.48Å; L401-G405 PolarHBondContact O-N 2.82Å; R402-G405 PolarHBondContact O-N 3.4Å; E403-G405 VanDerWaalsContact C-N 3.26Å; E403-G405 PolarHBondContact O-N 3.25Å
406	K	79.9	Confident	73.9	Confident	35 Å²	35	49 Å²	49	15%	0.152	23%	0.229	C	C	.	.			trans	-92.2	5.2	-179.7	-64.3	-80.6	-166.8	159.7	0	113.6	E360 F363 L364 L401 E404	E360-K406 PolarHBondContact O-NZ 3.41Å; F363-K406 CarbonylContact C-O 3.56Å; F363-K406 VanDerWaalsContact CA-O 3.26Å; F363-K406 WeakPolarHBondContact CA-O 3.4Å; F363-K406 HydrophobicContact CD1-CB 4.17Å; F363-K406 HydrophobicContact CD1-CD 4.06Å; F363-K406 VanDerWaalsContact CD1-O 3.26Å; F363-K406 WeakPolarHBondContact CD1-O 3.31Å; F363-K406 HydrophobicContact CD2-CD 4.26Å; F363-K406 HydrophobicContact CE1-CB 4.46Å; F363-K406 HydrophobicContact CE1-CD 3.79Å; F363-K406 HydrophobicContact CE2-CD 4.01Å; F363-K406 HydrophobicContact CG-CD 4.29Å; F363-K406 HydrophobicContact CZ-CD 3.78Å; L364-K406 PolarHBondContact N-O 2.84Å; L401-K406 HydrophobicContact CB-CB 4.25Å; L401-K406 HydrophobicContact CD2-CB 3.8Å; L401-K406 HydrophobicContact CD2-CG 4.32Å; L401-K406 WeakPolarHBondContact O-CA 3.31Å; L401-K406 WeakPolarHBondContact O-CB 3.24Å; L401-K406 PolarHBondContact O-N 3.48Å; E404-K406 VanDerWaalsContact C-N 3.27Å; E404-K406 HydrophobicContact CB-CG 3.95Å; E404-K406 PolarHBondContact O-N 3.1Å
407	V	82.1	Confident	75.1	Confident	23 Å²	23	46.3 Å²	46.3	14%	0.139	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	127.6	170.9	-178.7	0	0	0	0	109.1	L364 Q366 L401 R402 E409	L364-V407 HydrophobicContact CB-CG2 4.48Å; L364-V407 HydrophobicContact CD2-CG2 4.49Å; L364-V407 CarbonylContact O-C 3.55Å; L364-V407 VanDerWaalsContact O-CA 3.3Å; L364-V407 WeakPolarHBondContact O-CA 3.31Å; Q366-V407 HydrophobicContact CG-CG1 4.44Å; L401-V407 HydrophobicContact CB-CG2 4.34Å; R402-V407 HydrophobicContact CB-CG2 4.11Å; V407-E409 HydrophobicContact CG1-CG 4.44Å
408	I	85.1	Confident	76.4	Confident	18 Å²	18	45.4 Å²	45.4	9%	0.092	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	140.4	174.3	62	174.3	0	0	0	110.5	R233 V234 V239 L256 F363 L364 A365 Q366 P410	R233-I408 HydrophobicContact CG-CG2 4.03Å; V234-I408 HydrophobicContact CG2-CD1 3.82Å; V239-I408 HydrophobicContact CG1-CD1 4.08Å; L256-I408 HydrophobicContact CD2-CD1 4.05Å; F363-I408 HydrophobicContact CD1-CG2 3.9Å; F363-I408 HydrophobicContact CE1-CG2 4.38Å; L364-I408 PolarHBondContact O-N 3Å; A365-I408 VanDerWaalsContact CA-O 3.3Å; A365-I408 WeakPolarHBondContact CA-O 3.45Å; A365-I408 HydrophobicContact CB-CD1 4.22Å; A365-I408 HydrophobicContact CB-CG1 3.81Å; Q366-I408 PolarHBondContact N-O 3.47Å; I408-P410 WeakPolarHBondContact O-CD 3.21Å
409	E	85.8	Confident	77.6	Confident	45 Å²	45	45.1 Å²	45.1	21%	0.21	21%	0.211	C	C	.	.			trans	-126.8	77.8	-177.1	-68.1	150	144.4	0	0	109.2	Q366 V407 L411 K412	Q366-E409 HydrophobicContact CB-CG 4.27Å; V407-E409 HydrophobicContact CG1-CG 4.44Å; E409-L411 PolarHBondContact O-N 2.9Å; E409-L411 VanDerWaalsContact O-N 3.14Å; E409-K412 HydrophobicContact CB-CB 4.17Å; E409-K412 WeakPolarHBondContact O-CB 3.46Å; E409-K412 WeakPolarHBondContact O-CG 3.45Å; E409-K412 PolarHBondContact O-N 3.31Å
410	P	87.2	Confident	78.7	Confident	11 Å²	11	43.1 Å²	43.1	7%	0.071	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-60.5	-29.2	-171.3	-26	36.1	0	0	0	114.1	C226 I230 L255 L256 Q366 I408 K412	C226-P410 PolarHBondContact SG-O 3.43Å; C226-P410 VanDerWaalsContact SG-O 3.42Å; I230-P410 HydrophobicContact CD1-CB 3.96Å; I230-P410 HydrophobicContact CD1-CG 4.11Å; I230-P410 HydrophobicContact CG1-CG 4.44Å; L255-P410 HydrophobicContact CD2-CB 3.87Å; L256-P410 HydrophobicContact CD2-CG 4.21Å; Q366-P410 WeakPolarHBondContact O-CD 3.45Å; I408-P410 WeakPolarHBondContact O-CD 3.21Å; P410-K412 VanDerWaalsContact C-N 3.29Å; P410-K412 PolarHBondContact O-N 3.17Å
411	L	86.3	Confident	79.7	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-88.7	5.8	-178	-54.4	-175.6	0	0	0	113.2	D248 V251 C252 L255 T368 L369 E409 D413 F414 V419 L422	D248-L411 HydrophobicContact CB-CD1 4.29Å; D248-L411 VanDerWaalsContact O-CD1 3.27Å; D248-L411 WeakPolarHBondContact O-CD1 3.21Å; V251-L411 HydrophobicContact CB-CD1 4.46Å; V251-L411 HydrophobicContact CG1-CD1 4.42Å; V251-L411 HydrophobicContact CG1-CD2 4.23Å; C252-L411 HydrophobicContact CB-CD1 3.98Å; C252-L411 HydrophobicContact CB-CG 4.27Å; L255-L411 HydrophobicContact CD2-CD2 4.09Å; T368-L411 CarbonylContact O-C 3.56Å; T368-L411 VanDerWaalsContact O-C 3.27Å; L369-L411 HydrophobicContact CD2-CB 3.62Å; L369-L411 HydrophobicContact CD2-CD1 4.14Å; E409-L411 PolarHBondContact O-N 2.9Å; E409-L411 VanDerWaalsContact O-N 3.14Å; L411-D413 PolarHBondContact O-N 2.78Å; L411-D413 VanDerWaalsContact O-N 3.09Å; L411-F414 HydrophobicContact CD2-CD2 4.37Å; L411-F414 PolarHBondContact O-N 3.04Å; L411-V419 HydrophobicContact CD1-CG1 4.23Å; L411-V419 HydrophobicContact CD1-CG2 4.43Å; L411-L422 HydrophobicContact CD2-CD2 3.9Å
412	K	81.1	Confident	80.8	Confident	72 Å²	72	41.4 Å²	41.4	31%	0.313	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-56.5	-28	-178.2	68.8	-179.9	177.1	66.7	0	113.9	T368 R370 L373 E409 P410	T368-K412 PolarHBondContact O-N 3.4Å; R370-K412 WeakPolarHBondContact CA-O 3.19Å; R370-K412 WeakPolarHBondContact CB-O 3.19Å; R370-K412 WeakPolarHBondContact CG-O 3.4Å; R370-K412 PolarHBondContact N-O 2.69Å; L373-K412 HydrophobicContact CD1-CB 3.43Å; L373-K412 VanDerWaalsContact CD1-CB 3.43Å; L373-K412 HydrophobicContact CD1-CG 4.5Å; E409-K412 HydrophobicContact CB-CB 4.17Å; E409-K412 WeakPolarHBondContact O-CB 3.46Å; E409-K412 WeakPolarHBondContact O-CG 3.45Å; E409-K412 PolarHBondContact O-N 3.31Å; P410-K412 VanDerWaalsContact C-N 3.29Å; P410-K412 PolarHBondContact O-N 3.17Å
413	D	76.9	Confident	82	Confident	46 Å²	46	37 Å²	37	25%	0.246	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-101.6	9.8	-178.6	-63.7	-50.3	0	0	0	112.9	R46 R222 L411	R46-D413 PolarHBondContact NH1-O 2.89Å; R46-D413 PolarHBondContact NH2-O 2.71Å; R222-D413 PolarHBondContact NH2-O 2.86Å; L411-D413 PolarHBondContact O-N 2.78Å; L411-D413 VanDerWaalsContact O-N 3.09Å
414	F	79.8	Confident	83	Confident	4 Å²	4	35.4 Å²	35.4	2%	0.018	17%	0.17	C	C	.	.			trans	-112.6	138	-179.6	-63.6	-98	0	0	0	112.3	V219 R222 C226 L411 E418 V419 L422	V219-F414 HydrophobicContact CG1-CE1 4.42Å; R222-F414 HydrophobicContact CB-CE1 3.99Å; R222-F414 HydrophobicContact CB-CZ 3.82Å; C226-F414 HydrophobicContact CB-CE2 4.43Å; L411-F414 HydrophobicContact CD2-CD2 4.37Å; L411-F414 PolarHBondContact O-N 3.04Å; F414-E418 WeakPolarHBondContact CA-OE2 3.47Å; F414-E418 HydrophobicContact CB-CB 4.47Å; F414-E418 HydrophobicContact CD1-CB 4.16Å; F414-V419 HydrophobicContact CB-CG2 3.84Å; F414-L422 HydrophobicContact CD1-CD2 4.24Å; F414-L422 HydrophobicContact CE1-CD2 4.03Å; F414-L422 HydrophobicContact CE2-CD2 4.49Å; F414-L422 HydrophobicContact CZ-CD2 4.15Å
415	H	76.4	Confident	83.8	Confident	22 Å²	22	35.1 Å²	35.1	10%	0.102	17%	0.169	C	C	.	.			trans	-82.9	162.4	168.3	-71.9	-75.8	0	0	0	110.9	D42 R46 D417 E418 V419	D42-H415 IonicContact OD2-CE1 3.52Å; D42-H415 PolarHBondContact OD2-CE1 3.31Å; D42-H415 IonicContact OD2-NE2 3.63Å; D42-H415 PolarHBondContact OD2-NE2 3.07Å; R46-H415 WeakPolarHBondContact CD-NE2 3.47Å; H415-D417 VanDerWaalsContact C-N 3.31Å; H415-D417 VanDerWaalsContact CB-OD1 3.26Å; H415-D417 WeakPolarHBondContact CB-OD1 3.43Å; H415-D417 PolarHBondContact O-N 3.12Å; H415-E418 HydrophobicContact CB-CG 4.22Å; H415-E418 IonicContact CD2-OE2 3.54Å; H415-E418 PolarHBondContact N-OE2 2.88Å; H415-E418 WeakPolarHBondContact O-CB 3.38Å; H415-E418 PolarHBondContact O-N 2.85Å; H415-E418 VanDerWaalsContact O-N 3.09Å; H415-V419 VanDerWaalsContact O-CG2 3.28Å; H415-V419 WeakPolarHBondContact O-CG2 3.07Å; H415-V419 PolarHBondContact O-N 3.44Å
416	K	77	Confident	84.7	Confident	48 Å²	48	35 Å²	35	21%	0.209	16%	0.162	C	C	.	.	H	α-helix	trans	-62.8	-34.1	-171.3	-171.8	63.4	179.8	172.3	0	114	D248 L369 R420	D248-K416 IonicContact OD1-NZ 3.54Å; D248-K416 PolarHBondContact OD1-NZ 3.13Å; D248-K416 IonicContact OD2-NZ 3.27Å; D248-K416 PolarHBondContact OD2-NZ 3.34Å; L369-K416 HydrophobicContact CD1-CB 4.3Å; L369-K416 HydrophobicContact CD1-CD 3.69Å; K416-R420 WeakPolarHBondContact O-CG 3.47Å
417	D	78.3	Confident	85.2	Confident	48 Å²	48	35.4 Å²	35.4	26%	0.257	18%	0.176	S	C	.	.	H	α-helix	trans	-68.6	-42.9	173.3	40.3	13.3	0	0	0	111.9	R43 H415 V419 R420 I421	R43-D417 IonicContact CZ-OD2 2.69Å; R43-D417 IonicContact NE-OD2 3.41Å; R43-D417 IonicContact NH2-OD2 3.73Å; R43-D417 PolarHBondContact NH2-OD2 3.13Å; H415-D417 VanDerWaalsContact C-N 3.31Å; H415-D417 VanDerWaalsContact CB-OD1 3.26Å; H415-D417 WeakPolarHBondContact CB-OD1 3.43Å; H415-D417 PolarHBondContact O-N 3.12Å; D417-V419 PolarHBondContact O-N 3.16Å; D417-R420 WeakPolarHBondContact O-CB 3.37Å; D417-R420 PolarHBondContact O-N 3.39Å; D417-I421 PolarHBondContact O-N 3.01Å
418	E	83.8	Confident	85.7	Confident	15 Å²	15	34.7 Å²	34.7	7%	0.07	17%	0.171	C	C	.	.	H	α-helix	trans	-63.5	-39.2	176.4	-57.2	173.1	144.6	0	0	112.1	R46 V219 R222 F414 H415 R420 I421 L422	R46-E418 IonicContact NH1-OE1 3.82Å; R46-E418 IonicContact NH1-OE2 2.92Å; V219-E418 HydrophobicContact CG2-CB 4.29Å; V219-E418 HydrophobicContact CG2-CG 4.39Å; R222-E418 IonicContact CZ-OE1 3.63Å; R222-E418 IonicContact CZ-OE2 3.64Å; R222-E418 IonicContact NH1-OE1 2.84Å; R222-E418 PolarHBondContact NH1-OE1 2.79Å; R222-E418 IonicContact NH1-OE2 3.73Å; R222-E418 PolarHBondContact NH1-OE2 3.19Å; R222-E418 IonicContact NH2-OE1 3.81Å; R222-E418 IonicContact NH2-OE2 2.96Å; R222-E418 PolarHBondContact NH2-OE2 2.78Å; F414-E418 WeakPolarHBondContact CA-OE2 3.47Å; F414-E418 HydrophobicContact CB-CB 4.47Å; F414-E418 HydrophobicContact CD1-CB 4.16Å; H415-E418 HydrophobicContact CB-CG 4.22Å; H415-E418 IonicContact CD2-OE2 3.54Å; H415-E418 PolarHBondContact N-OE2 2.88Å; H415-E418 WeakPolarHBondContact O-CB 3.38Å; H415-E418 PolarHBondContact O-N 2.85Å; H415-E418 VanDerWaalsContact O-N 3.09Å; E418-R420 PolarHBondContact O-N 3.34Å; E418-I421 WeakPolarHBondContact O-CB 3.48Å; E418-I421 PolarHBondContact O-N 3.29Å; E418-I421 VanDerWaalsContact O-N 3.09Å; E418-L422 WeakPolarHBondContact O-CB 3.39Å; E418-L422 PolarHBondContact O-N 2.77Å
419	V	87.8	Confident	85.9	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.8	-35.1	175.1	175.2	0	0	0	0	111.5	V247 V251 L369 L411 F414 H415 D417 G423	V247-V419 HydrophobicContact CG1-CG1 4.36Å; V251-V419 HydrophobicContact CB-CG1 3.95Å; V251-V419 HydrophobicContact CG1-CG1 3.99Å; V251-V419 HydrophobicContact CG2-CG1 3.93Å; L369-V419 HydrophobicContact CD1-CG2 4.44Å; L369-V419 HydrophobicContact CD2-CG2 3.48Å; L369-V419 VanDerWaalsContact CD2-CG2 3.48Å; L411-V419 HydrophobicContact CD1-CG1 4.23Å; L411-V419 HydrophobicContact CD1-CG2 4.43Å; F414-V419 HydrophobicContact CB-CG2 3.84Å; H415-V419 VanDerWaalsContact O-CG2 3.28Å; H415-V419 WeakPolarHBondContact O-CG2 3.07Å; H415-V419 PolarHBondContact O-N 3.44Å; D417-V419 PolarHBondContact O-N 3.16Å; V419-G423 PolarHBondContact O-N 3.21Å
420	R	87.9	Confident	86	Confident	66 Å²	66	38.8 Å²	38.8	25%	0.249	20%	0.195	C	C	.	.	H	α-helix	trans	-69.9	-40.8	176.2	-61.8	-176.5	179.8	120.8	-6.1	111.6	K416 D417 E418 G423 R424 V433	K416-R420 WeakPolarHBondContact O-CG 3.47Å; D417-R420 WeakPolarHBondContact O-CB 3.37Å; D417-R420 PolarHBondContact O-N 3.39Å; E418-R420 PolarHBondContact O-N 3.34Å; R420-G423 PolarHBondContact O-N 2.82Å; R420-R424 WeakPolarHBondContact O-CG 3.45Å; R420-R424 PolarHBondContact O-N 3.37Å; R420-V433 WeakPolarHBondContact CG-O 3.03Å
421	I	88	Confident	85.9	Confident	69 Å²	69	44.5 Å²	44.5	35%	0.354	22%	0.221	S	C	.	.	H	α-helix	trans	-62.2	-49.4	175.5	-62.3	169.3	0	0	0	109.4	V219 D417 E418 G423 R424 E425	V219-I421 HydrophobicContact CB-CG2 4.31Å; V219-I421 HydrophobicContact CG1-CB 4.48Å; V219-I421 HydrophobicContact CG1-CG2 4.09Å; V219-I421 HydrophobicContact CG2-CG2 4.31Å; D417-I421 PolarHBondContact O-N 3.01Å; E418-I421 WeakPolarHBondContact O-CB 3.48Å; E418-I421 PolarHBondContact O-N 3.29Å; E418-I421 VanDerWaalsContact O-N 3.09Å; I421-G423 VanDerWaalsContact C-N 3.28Å; I421-G423 PolarHBondContact O-N 3.25Å; I421-R424 WeakPolarHBondContact O-CB 3.23Å; I421-R424 PolarHBondContact O-N 3.07Å; I421-E425 PolarHBondContact O-N 2.98Å
422	L	91	Very high	85.9	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-56.7	-42.5	176.9	-175	63.4	0	0	0	111.7	V219 E223 V251 L255 L411 F414 E418 R424 E425 L426	V219-L422 HydrophobicContact CG1-CB 4.18Å; V219-L422 HydrophobicContact CG1-CD1 4.36Å; E223-L422 HydrophobicContact CB-CD1 3.71Å; E223-L422 HydrophobicContact CG-CD1 3.69Å; V251-L422 HydrophobicContact CG1-CB 4.36Å; V251-L422 HydrophobicContact CG1-CD2 3.93Å; V251-L422 HydrophobicContact CG1-CG 4.08Å; L255-L422 HydrophobicContact CD2-CD2 4.31Å; L411-L422 HydrophobicContact CD2-CD2 3.9Å; F414-L422 HydrophobicContact CD1-CD2 4.24Å; F414-L422 HydrophobicContact CE1-CD2 4.03Å; F414-L422 HydrophobicContact CE2-CD2 4.49Å; F414-L422 HydrophobicContact CZ-CD2 4.15Å; E418-L422 WeakPolarHBondContact O-CB 3.39Å; E418-L422 PolarHBondContact O-N 2.77Å; L422-R424 VanDerWaalsContact C-N 3.3Å; L422-R424 PolarHBondContact O-N 2.53Å; L422-E425 PolarHBondContact O-N 3.33Å; L422-L426 HydrophobicContact CD1-CD1 4.38Å; L422-L426 HydrophobicContact CG-CD1 3.95Å; L422-L426 WeakPolarHBondContact O-CB 3.22Å; L422-L426 VanDerWaalsContact O-CG 3.23Å; L422-L426 WeakPolarHBondContact O-CG 3.28Å; L422-L426 PolarHBondContact O-N 2.65Å
423	G	91.8	Very high	86.3	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59	-38.4	175.1	0	0	0	0	0	113.7	V419 R420 I421 L426 G427 L428	V419-G423 PolarHBondContact O-N 3.21Å; R420-G423 PolarHBondContact O-N 2.82Å; I421-G423 VanDerWaalsContact C-N 3.28Å; I421-G423 PolarHBondContact O-N 3.25Å; G423-L426 PolarHBondContact O-N 2.92Å; G423-G427 PolarHBondContact O-N 3.39Å; G423-L428 VanDerWaalsContact O-CB 3.27Å; G423-L428 WeakPolarHBondContact O-CB 3.47Å; G423-L428 PolarHBondContact O-N 3.31Å
424	R	91.6	Very high	86.7	Confident	101 Å²	101	41.7 Å²	41.7	38%	0.381	21%	0.214	S	C	.	.	H	α-helix	trans	-68	-43.4	175.8	-63.9	173.3	-171.7	113.5	-0.8	111.7	R420 I421 L422 L426 G427 E430 V433	R420-R424 WeakPolarHBondContact O-CG 3.45Å; R420-R424 PolarHBondContact O-N 3.37Å; I421-R424 WeakPolarHBondContact O-CB 3.23Å; I421-R424 PolarHBondContact O-N 3.07Å; L422-R424 VanDerWaalsContact C-N 3.3Å; L422-R424 PolarHBondContact O-N 2.53Å; R424-L426 VanDerWaalsContact C-N 3.25Å; R424-L426 PolarHBondContact O-N 3.36Å; R424-G427 WeakPolarHBondContact O-CA 3.4Å; R424-G427 PolarHBondContact O-N 2.91Å; R424-E430 WeakPolarHBondContact CD-OE2 3.38Å; R424-E430 IonicContact CZ-OE1 3.5Å; R424-E430 IonicContact CZ-OE2 2.73Å; R424-E430 IonicContact NE-OE1 2.83Å; R424-E430 PolarHBondContact NE-OE1 3.47Å; R424-E430 IonicContact NE-OE2 3.45Å; R424-E430 PolarHBondContact NE-OE2 3.2Å; R424-E430 IonicContact NH2-OE1 3.22Å; R424-E430 PolarHBondContact NH2-OE1 3.44Å; R424-E430 IonicContact NH2-OE2 3.69Å; R424-V433 HydrophobicContact CG-CG2 3.92Å
425	E	90.4	Very high	87	Confident	90 Å²	90	43.1 Å²	43.1	42%	0.421	22%	0.219	S	C	.	.	H	α-helix	trans	-62.1	-36	177.4	-69.9	178.3	162.8	0	0	111.4	I421 L422 G427	I421-E425 PolarHBondContact O-N 2.98Å; L422-E425 PolarHBondContact O-N 3.33Å; E425-G427 PolarHBondContact O-N 3.39Å
426	L	91.1	Very high	87.5	Confident	23 Å²	23	43.1 Å²	43.1	12%	0.12	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-0.8	173.2	-66.9	168.1	0	0	0	114.1	E223 V251 A254 L255 R258 L422 G423 R424	E223-L426 WeakPolarHBondContact OE1-CD2 3.27Å; V251-L426 HydrophobicContact CG1-CD1 4.05Å; A254-L426 HydrophobicContact CB-CB 4.17Å; A254-L426 HydrophobicContact CB-CD1 4.03Å; L255-L426 HydrophobicContact CB-CD1 3.95Å; L255-L426 HydrophobicContact CD1-CD1 4.39Å; L255-L426 HydrophobicContact CD1-CD2 4.28Å; R258-L426 HydrophobicContact CB-CD2 3.8Å; R258-L426 HydrophobicContact CG-CD2 3.95Å; L422-L426 HydrophobicContact CD1-CD1 4.38Å; L422-L426 HydrophobicContact CG-CD1 3.95Å; L422-L426 WeakPolarHBondContact O-CB 3.22Å; L422-L426 VanDerWaalsContact O-CG 3.23Å; L422-L426 WeakPolarHBondContact O-CG 3.28Å; L422-L426 PolarHBondContact O-N 2.65Å; G423-L426 PolarHBondContact O-N 2.92Å; R424-L426 VanDerWaalsContact C-N 3.25Å; R424-L426 PolarHBondContact O-N 3.36Å
427	G	90.3	Very high	87.7	Confident	43 Å²	43	42.4 Å²	42.4	44%	0.443	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	13	176.4	0	0	0	0	0	115.4	G423 R424 E425	G423-G427 PolarHBondContact O-N 3.39Å; R424-G427 WeakPolarHBondContact O-CA 3.4Å; R424-G427 PolarHBondContact O-N 2.91Å; E425-G427 PolarHBondContact O-N 3.39Å
428	L	92	Very high	87.9	Confident	8 Å²	8	41.7 Å²	41.7	4%	0.042	21%	0.214	C	C	.	.			trans	-69.4	144.8	175	-69.8	164.6	0	0	0	111.1	T250 V251 A254 L287 L290 G423 V433	T250-L428 HydrophobicContact CG2-CD1 4.04Å; T250-L428 HydrophobicContact CG2-CD2 3.72Å; V251-L428 HydrophobicContact CB-CD1 4.49Å; V251-L428 HydrophobicContact CG2-CD1 3.77Å; A254-L428 HydrophobicContact CB-CD1 4.08Å; A254-L428 HydrophobicContact CB-CG 4.34Å; L287-L428 HydrophobicContact CD2-CD2 4.24Å; L290-L428 HydrophobicContact CD1-CD2 3.54Å; L290-L428 HydrophobicContact CD1-CG 4.02Å; G423-L428 VanDerWaalsContact O-CB 3.27Å; G423-L428 WeakPolarHBondContact O-CB 3.47Å; G423-L428 PolarHBondContact O-N 3.31Å; L428-V433 HydrophobicContact CB-CG1 3.69Å; L428-V433 HydrophobicContact CD1-CG1 4.25Å
429	P	90.6	Very high	87.8	Confident	59 Å²	59	42.2 Å²	42.2	38%	0.383	22%	0.219	S	C	.	.			trans	-60	142	178.1	-22.8	32.8	0	0	0	112.6	A286 E431 L432 V433	A286-P429 HydrophobicContact CB-CG 4.09Å; P429-E431 PolarHBondContact O-N 2.9Å; P429-L432 HydrophobicContact CB-CB 4.48Å; P429-L432 WeakPolarHBondContact O-CA 3.43Å; P429-L432 WeakPolarHBondContact O-CB 3.24Å; P429-L432 PolarHBondContact O-N 2.9Å; P429-V433 PolarHBondContact O-N 3.27Å; P429-V433 VanDerWaalsContact O-N 3.17Å
430	E	87.1	Confident	87.5	Confident	90 Å²	90	44.7 Å²	44.7	42%	0.421	24%	0.244	S	C	.	.	H	α-helix	trans	-54.8	-40.4	178.4	-172.7	58.8	-152.2	0	0	111.9	R424 L432 V433 S434	R424-E430 WeakPolarHBondContact CD-OE2 3.38Å; R424-E430 IonicContact CZ-OE1 3.5Å; R424-E430 IonicContact CZ-OE2 2.73Å; R424-E430 IonicContact NE-OE1 2.83Å; R424-E430 PolarHBondContact NE-OE1 3.47Å; R424-E430 IonicContact NE-OE2 3.45Å; R424-E430 PolarHBondContact NE-OE2 3.2Å; R424-E430 IonicContact NH2-OE1 3.22Å; R424-E430 PolarHBondContact NH2-OE1 3.44Å; R424-E430 IonicContact NH2-OE2 3.69Å; E430-L432 PolarHBondContact O-N 2.71Å; E430-L432 VanDerWaalsContact O-N 3.16Å; E430-V433 WeakPolarHBondContact O-CG2 3.25Å; E430-V433 PolarHBondContact O-N 3.03Å; E430-S434 WeakPolarHBondContact O-CB 3.43Å; E430-S434 PolarHBondContact O-N 2.84Å
431	E	85.1	Confident	87.4	Confident	130 Å²	130	42.8 Å²	42.8	61%	0.607	24%	0.24	S	C	*	.	H	α-helix	trans	-64.3	-17.7	178.3	-61.4	-176.8	-157.2	0	0	114.3	P429 R435 R600	P429-E431 PolarHBondContact O-N 2.9Å; E431-R435 WeakPolarHBondContact O-CG 3.44Å; E431-R435 PolarHBondContact O-NE 2.88Å; E431-R600 IonicContact OE2-NH1 3.44Å; E431-R600 PolarHBondContact OE2-NH1 2.82Å
432	L	86.7	Confident	87.5	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-91.2	-50.7	176	-165.7	157.1	0	0	0	110.1	V247 T250 V283 A286 P429 E430 S434 R435	V247-L432 WeakPolarHBondContact CG2-O 3.49Å; T250-L432 HydrophobicContact CG2-CD1 4.09Å; T250-L432 HydrophobicContact CG2-CD2 3.7Å; V283-L432 HydrophobicContact CG2-CD1 4.25Å; A286-L432 HydrophobicContact CB-CD1 3.75Å; P429-L432 HydrophobicContact CB-CB 4.48Å; P429-L432 WeakPolarHBondContact O-CA 3.43Å; P429-L432 WeakPolarHBondContact O-CB 3.24Å; P429-L432 PolarHBondContact O-N 2.9Å; E430-L432 PolarHBondContact O-N 2.71Å; E430-L432 VanDerWaalsContact O-N 3.16Å; L432-S434 VanDerWaalsContact C-N 3.32Å; L432-S434 PolarHBondContact O-N 3.01Å; L432-R435 WeakPolarHBondContact O-CB 3.29Å; L432-R435 VanDerWaalsContact O-CG 3.24Å; L432-R435 WeakPolarHBondContact O-CG 3.31Å; L432-R435 PolarHBondContact O-N 2.97Å
433	V	88.1	Confident	87.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-69.3	-29.8	-177.5	-61.4	0	0	0	0	112.8	R420 R424 L428 P429 E430 R435	R420-V433 WeakPolarHBondContact CG-O 3.03Å; R424-V433 HydrophobicContact CG-CG2 3.92Å; L428-V433 HydrophobicContact CB-CG1 3.69Å; L428-V433 HydrophobicContact CD1-CG1 4.25Å; P429-V433 PolarHBondContact O-N 3.27Å; P429-V433 VanDerWaalsContact O-N 3.17Å; E430-V433 WeakPolarHBondContact O-CG2 3.25Å; E430-V433 PolarHBondContact O-N 3.03Å; V433-R435 VanDerWaalsContact C-N 3.26Å; V433-R435 PolarHBondContact O-N 2.89Å
434	S	86.4	Confident	88	Confident	56 Å²	56	39.5 Å²	39.5	39%	0.392	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	8.6	177.4	-168.4	0	0	0	0	113.5	E430 L432	E430-S434 WeakPolarHBondContact O-CB 3.43Å; E430-S434 PolarHBondContact O-N 2.84Å; L432-S434 VanDerWaalsContact C-N 3.32Å; L432-S434 PolarHBondContact O-N 3.01Å
435	R	85.8	Confident	88.1	Confident	34 Å²	34	35 Å²	35	13%	0.128	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-64	143.4	177.3	-71.4	177	-174.6	-179.4	1.1	111.3	V247 E279 S282 E431 L432 V433	V247-R435 HydrophobicContact CG2-CB 4.1Å; E279-R435 IonicContact OE1-NH1 2.87Å; S282-R435 PolarHBondContact OG-NH2 2.93Å; E431-R435 WeakPolarHBondContact O-CG 3.44Å; E431-R435 PolarHBondContact O-NE 2.88Å; L432-R435 WeakPolarHBondContact O-CB 3.29Å; L432-R435 VanDerWaalsContact O-CG 3.24Å; L432-R435 WeakPolarHBondContact O-CG 3.31Å; L432-R435 PolarHBondContact O-N 2.97Å; V433-R435 VanDerWaalsContact C-N 3.26Å; V433-R435 PolarHBondContact O-N 2.89Å
436	H	86	Confident	88.5	Confident	22 Å²	22	30.7 Å²	30.7	10%	0.102	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-61.5	145.1	165.5	-63.1	152.1	0	0	0	110.3	A605 I608 S609 Q610	H436-A605 PolarHBondContact NE2-O 2.89Å; H436-I608 PolarHBondContact CD2-O 3.45Å; H436-I608 PolarHBondContact NE2-O 3.35Å; H436-S609 PolarHBondContact CD2-O 3.48Å; H436-S609 VanDerWaalsContact CD2-O 3.3Å; H436-Q610 HydrophobicContact CB-CG 4.13Å
437	P	82.7	Confident	88.8	Confident	32 Å²	32	29.6 Å²	29.6	21%	0.208	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-51.2	143.7	172.4	-26	35.4	0	0	0	111.8	S609 Q610 F645	P437-S609 WeakPolarHBondContact CD-O 3.46Å; P437-Q610 WeakPolarHBondContact O-CG 3.28Å; P437-Q610 PolarHBondContact O-NE2 3.36Å; P437-F645 HydrophobicContact CG-CE2 4.41Å; P437-F645 HydrophobicContact CG-CZ 3.85Å
438	F	82.4	Confident	89.2	Confident	34 Å²	34	27.8 Å²	27.8	15%	0.149	16%	0.161	C	C	.	.			trans	-129.4	128.6	177.6	-167.1	-110.3	0	0	0	109	F274 M275 R276 L443	F274-F438 WeakPolarHBondContact O-CZ 3.49Å; M275-F438 HydrophobicContact CE-CD1 4.31Å; M275-F438 HydrophobicContact CE-CE1 4.27Å; M275-F438 HydrophobicContact SD-CE1 4.18Å; R276-F438 HydrophobicContact CG-CD2 4.24Å; R276-F438 HydrophobicContact CG-CE2 3.6Å; R276-F438 HydrophobicContact CG-CZ 3.87Å; F438-L443 HydrophobicContact CE2-CD2 4.35Å; F438-L443 HydrophobicContact CZ-CD2 4.32Å; F438-L443 HydrophobicContact CZ-CG 4.27Å
439	P	81.3	Confident	89.5	Confident	26 Å²	26	27.8 Å²	27.8	17%	0.169	16%	0.162	C	C	.	.			trans	-67.5	148.7	-176.4	28.4	-34.5	0	0	0	110.7	G442 I445	P439-G442 VanDerWaalsContact O-CA 3.28Å; P439-G442 WeakPolarHBondContact O-CA 3.43Å; P439-G442 PolarHBondContact O-N 2.94Å; P439-I445 HydrophobicContact CB-CD1 3.77Å; P439-I445 HydrophobicContact CG-CD1 3.84Å; P439-I445 HydrophobicContact CG-CG1 4.2Å
440	G	80.3	Confident	89.8	Confident	52 Å²	52	25.6 Å²	25.6	54%	0.536	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-46	176.4	0	0	0	0	0	113.8	N272 G442	N272-G440 PolarHBondContact ND2-O 2.8Å; N272-G440 VanDerWaalsContact ND2-O 3.1Å; G440-G442 PolarHBondContact O-N 2.96Å; G440-G442 VanDerWaalsContact O-N 3.14Å
441	P	86.3	Confident	90.2	Very high	26 Å²	26	25.8 Å²	25.8	17%	0.169	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-9.4	170.6	-26.8	37	0	0	0	115.6	F274 R337 I340 L443 A444 I445	F274-P441 WeakPolarHBondContact CB-O 3.47Å; R337-P441 HydrophobicContact CG-CG 4.31Å; I340-P441 HydrophobicContact CD1-CB 3.8Å; P441-L443 PolarHBondContact O-N 2.74Å; P441-A444 WeakPolarHBondContact O-CB 3.37Å; P441-A444 PolarHBondContact O-N 3.46Å; P441-A444 VanDerWaalsContact O-N 3.14Å; P441-I445 HydrophobicContact CB-CG1 4.38Å; P441-I445 HydrophobicContact CB-CG2 3.99Å
442	G	91.4	Very high	90.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	54.1	-133.2	177.5	0	0	0	0	0	113.9	P439 G440 A444 I445	P439-G442 VanDerWaalsContact O-CA 3.28Å; P439-G442 WeakPolarHBondContact O-CA 3.43Å; P439-G442 PolarHBondContact O-N 2.94Å; G440-G442 PolarHBondContact O-N 2.96Å; G440-G442 VanDerWaalsContact O-N 3.14Å; G442-A444 PolarHBondContact O-N 2.92Å; G442-I445 WeakPolarHBondContact O-CG1 3.5Å
443	L	96.3	Very high	91.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-65.5	-13	-179.9	-62.7	-178.6	0	0	0	114.2	F274 F438 P441 I445 R446 V447 L585 L588 R589	F274-L443 HydrophobicContact CB-CB 4.39Å; F274-L443 WeakPolarHBondContact O-CG 3.28Å; F274-L443 PolarHBondContact O-N 3.28Å; F438-L443 HydrophobicContact CE2-CD2 4.35Å; F438-L443 HydrophobicContact CZ-CD2 4.32Å; F438-L443 HydrophobicContact CZ-CG 4.27Å; P441-L443 PolarHBondContact O-N 2.74Å; L443-I445 PolarHBondContact O-N 2.72Å; L443-R446 HydrophobicContact CD2-CB 4.44Å; L443-R446 PolarHBondContact O-N 3.26Å; L443-V447 PolarHBondContact O-N 3.27Å; L443-L585 HydrophobicContact CB-CD2 4.37Å; L443-L588 HydrophobicContact CB-CD2 4.27Å; L443-L588 HydrophobicContact CD2-CD2 4.1Å; L443-L588 HydrophobicContact CD2-CG 4.29Å; L443-R589 HydrophobicContact CD1-CB 4.37Å; L443-R589 HydrophobicContact CD1-CG 3.24Å
444	A	95.6	Very high	91.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-61	-32.8	-179.7	0	0	0	0	0	113	F274 K336 I340 P441 G442 L580	F274-A444 HydrophobicContact CD1-CB 3.77Å; F274-A444 HydrophobicContact CD2-CB 4.21Å; F274-A444 HydrophobicContact CE1-CB 3.92Å; F274-A444 HydrophobicContact CE2-CB 4.35Å; F274-A444 HydrophobicContact CG-CB 3.92Å; F274-A444 HydrophobicContact CZ-CB 4.21Å; K336-A444 WeakPolarHBondContact CD-O 3.33Å; K336-A444 PolarHBondContact NZ-O 3.47Å; K336-A444 VanDerWaalsContact NZ-O 3.11Å; I340-A444 HydrophobicContact CD1-CB 3.47Å; I340-A444 VanDerWaalsContact CD1-CB 3.47Å; P441-A444 WeakPolarHBondContact O-CB 3.37Å; P441-A444 PolarHBondContact O-N 3.46Å; P441-A444 VanDerWaalsContact O-N 3.14Å; G442-A444 PolarHBondContact O-N 2.92Å; A444-L580 HydrophobicContact CB-CD1 3.81Å; A444-L580 HydrophobicContact CB-CD2 4.49Å
445	I	94.6	Very high	92.2	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.026	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-95.9	8.9	175.8	62.3	167.1	0	0	0	112.9	P439 P441 G442 L443 E691 E693	P439-I445 HydrophobicContact CB-CD1 3.77Å; P439-I445 HydrophobicContact CG-CD1 3.84Å; P439-I445 HydrophobicContact CG-CG1 4.2Å; P441-I445 HydrophobicContact CB-CG1 4.38Å; P441-I445 HydrophobicContact CB-CG2 3.99Å; G442-I445 WeakPolarHBondContact O-CG1 3.5Å; L443-I445 PolarHBondContact O-N 2.72Å; I445-E691 HydrophobicContact CD1-CB 4.23Å; I445-E691 HydrophobicContact CD1-CG 4.04Å; I445-E693 HydrophobicContact CB-CB 4.05Å
446	R	97.9	Very high	92.6	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	19%	0.185	C	C	.	.	S	Bend	trans	-112.6	6.2	173.8	-61.6	-170	178.6	176	1.2	112.5	L443 L588 D592 I614 L615 E691	L443-R446 HydrophobicContact CD2-CB 4.44Å; L443-R446 PolarHBondContact O-N 3.26Å; R446-L588 HydrophobicContact CB-CD2 3.9Å; R446-L588 VanDerWaalsContact O-CD2 3.31Å; R446-L588 WeakPolarHBondContact O-CD2 3.49Å; R446-D592 IonicContact NH1-OD1 3.28Å; R446-I614 CarbonylContact O-C 3.37Å; R446-I614 VanDerWaalsContact O-CA 3.23Å; R446-I614 WeakPolarHBondContact O-CA 3.32Å; R446-I614 WeakPolarHBondContact O-CG2 3.4Å; R446-L615 PolarHBondContact O-N 3.08Å; R446-E691 IonicContact CZ-OE1 2.7Å; R446-E691 IonicContact CZ-OE2 3.16Å; R446-E691 IonicContact NE-OE1 4Å; R446-E691 IonicContact NE-OE2 2.71Å; R446-E691 PolarHBondContact NE-OE2 3.19Å; R446-E691 IonicContact NH2-OE1 3.53Å; R446-E691 PolarHBondContact NH2-OE1 2.95Å; R446-E691 IonicContact NH2-OE2 3.62Å
447	V	98.6	Very high	93	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-114.8	114.4	168.2	-179.7	0	0	0	0	107.2	K336 L443 C449 T578 L580 V584 L585 L588 L615	K336-V447 PolarHBondContact NZ-O 3.09Å; L443-V447 PolarHBondContact O-N 3.27Å; V447-C449 PolarHBondContact O-N 3.36Å; V447-C449 VanDerWaalsContact O-N 3.15Å; V447-C449 PolarHBondContact O-SG 3.5Å; V447-T578 HydrophobicContact CG1-CG2 3.75Å; V447-L580 HydrophobicContact CB-CD2 3.76Å; V447-L580 HydrophobicContact CG1-CD2 4.25Å; V447-L580 HydrophobicContact CG2-CD2 4.1Å; V447-V584 HydrophobicContact CG1-CG1 3.71Å; V447-V584 HydrophobicContact CG2-CG1 4.3Å; V447-L585 HydrophobicContact CG2-CD2 4.24Å; V447-L588 HydrophobicContact CG2-CD2 3.44Å; V447-L588 VanDerWaalsContact CG2-CD2 3.44Å; V447-L615 HydrophobicContact CG2-CB 4.49Å
448	I	98.4	Very high	93.5	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.026	23%	0.226	C	C	.	.			trans	-72.2	111.5	170.1	-56.8	174.8	0	0	0	107.1	I514 I614 L615 T616 P617 W692	I448-I514 HydrophobicContact CD1-CD1 3.68Å; I448-I514 HydrophobicContact CG2-CB 4.36Å; I448-I514 HydrophobicContact CG2-CG2 4.43Å; I448-I614 HydrophobicContact CD1-CG2 4.37Å; I448-I614 HydrophobicContact CG1-CG2 4.11Å; I448-L615 PolarHBondContact N-O 3.37Å; I448-T616 HydrophobicContact CD1-CG2 3.61Å; I448-T616 HydrophobicContact CG1-CG2 4.45Å; I448-P617 HydrophobicContact CG2-CG 4.38Å; I448-W692 HydrophobicContact CD1-CE3 3.4Å; I448-W692 VanDerWaalsContact CD1-CE3 3.4Å; I448-W692 HydrophobicContact CD1-CZ3 3.64Å; I448-W692 HydrophobicContact CG1-CE3 4.34Å
449	C	98.2	Very high	94.2	Very high	8 Å²	8	41.8 Å²	41.8	5%	0.054	22%	0.224	C	C	.	.			trans	-93.9	128.6	-179.6	-63.5	0	0	0	0	109.7	T331 K336 V447 T578	T331-C449 WeakPolarHBondContact CB-O 3.5Å; T331-C449 HydrophobicContact CG2-CB 4.15Å; T331-C449 WeakPolarHBondContact CG2-O 3.47Å; K336-C449 PolarHBondContact NZ-SG 2.94Å; V447-C449 PolarHBondContact O-N 3.36Å; V447-C449 VanDerWaalsContact O-N 3.15Å; V447-C449 PolarHBondContact O-SG 3.5Å; C449-T578 CarbonylContact C-O 3.55Å; C449-T578 WeakPolarHBondContact CA-O 3.41Å; C449-T578 VanDerWaalsContact CB-O 3.3Å; C449-T578 WeakPolarHBondContact CB-O 3.31Å
450	A	97.3	Very high	94.9	Very high	12 Å²	12	44.3 Å²	44.3	10%	0.099	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-149.3	139.6	-178.8	0	0	0	0	0	110	V575 P577 T578 P617	A450-V575 HydrophobicContact CB-CG2 4.15Å; A450-P577 CarbonylContact O-C 3.59Å; A450-P577 WeakPolarHBondContact O-CA 3.37Å; A450-T578 PolarHBondContact N-O 2.8Å; A450-T578 PolarHBondContact O-N 3.07Å; A450-P617 HydrophobicContact CB-CB 4.44Å; A450-P617 HydrophobicContact CB-CG 3.93Å
451	E	95.8	Very high	95.5	Very high	94 Å²	94	45.8 Å²	45.8	44%	0.439	23%	0.233	S	C	.	.	S	Bend	trans	-101.2	-45.4	164.9	-173.8	64.9	-169.2	0	0	109.4	F579	E451-F579 HydrophobicContact CB-CZ 4.02Å; E451-F579 WeakPolarHBondContact OE2-CE2 3.42Å; E451-F579 WeakPolarHBondContact OE2-CZ 3.22Å
452	E	96.9	Very high	95.9	Very high	143 Å²	143	44.8 Å²	44.8	67%	0.668	23%	0.226	S	C	*	.	S	Bend	trans	-109.4	150.1	-179.3	-61.8	-59.3	153.3	0	0	111.6	V575	E452-V575 VanDerWaalsContact C-CG2 3.49Å
453	P	97.3	Very high	96.2	Very high	43 Å²	43	46.1 Å²	46.1	28%	0.279	23%	0.233	S	C	.	.			trans	-65.6	137.6	172.8	28.2	-33.6	0	0	0	110.6	I455 P513 T573 V575	P453-I455 HydrophobicContact CB-CD1 4.12Å; P453-I455 HydrophobicContact CB-CG1 4.26Å; P453-I455 HydrophobicContact CG-CD1 4.37Å; P453-I455 PolarHBondContact O-N 2.83Å; P453-P513 HydrophobicContact CB-CB 3.83Å; P453-P513 HydrophobicContact CB-CG 4.45Å; P453-T573 WeakPolarHBondContact CB-O 3.28Å; P453-V575 HydrophobicContact CB-CG1 4.18Å; P453-V575 HydrophobicContact CB-CG2 4.48Å
454	Y	97.3	Very high	96.1	Very high	52 Å²	52	50 Å²	50	20%	0.204	25%	0.254	C	S	.	.			trans	-81.7	102.8	173.5	178.6	-114.6	0	0	0	110	C456 P513 K515 Y528	Y454-C456 WeakPolarHBondContact CE2-SG 3.38Å; Y454-P513 PolarHBondContact N-O 2.94Å; Y454-P513 WeakPolarHBondContact O-CA 3.49Å; Y454-K515 HydrophobicContact CD1-CD 4.27Å; Y454-K515 HydrophobicContact CD1-CG 3.38Å; Y454-K515 HydrophobicContact CD2-CD 3.61Å; Y454-K515 HydrophobicContact CD2-CG 3.61Å; Y454-K515 HydrophobicContact CE1-CD 4.25Å; Y454-K515 HydrophobicContact CE1-CG 3.59Å; Y454-K515 HydrophobicContact CE2-CD 3.6Å; Y454-K515 HydrophobicContact CE2-CG 3.82Å; Y454-K515 HydrophobicContact CG-CD 3.96Å; Y454-K515 HydrophobicContact CG-CG 3.38Å; Y454-Y528 AromaticContact CD1-CD1 3.48Å; Y454-Y528 HydrophobicContact CD1-CD1 3.48Å; Y454-Y528 VanDerWaalsContact CD1-CD1 3.48Å; Y454-Y528 AromaticContact CD1-CE1 3.36Å; Y454-Y528 HydrophobicContact CD1-CE1 3.36Å; Y454-Y528 HydrophobicContact CD1-CG 4.37Å; Y454-Y528 AromaticContact CE1-CD1 3.53Å; Y454-Y528 HydrophobicContact CE1-CD1 3.53Å; Y454-Y528 HydrophobicContact CE1-CD2 4.37Å; Y454-Y528 AromaticContact CE1-CE1 3.37Å; Y454-Y528 HydrophobicContact CE1-CE1 3.37Å; Y454-Y528 HydrophobicContact CE1-CE2 4.24Å; Y454-Y528 HydrophobicContact CE1-CG 4.04Å; Y454-Y528 AromaticContact CE1-CZ 3.78Å; Y454-Y528 HydrophobicContact CG-CE1 4.35Å; Y454-Y528 WeakPolarHBondContact O-CE1 3.34Å
455	I	95.7	Very high	96	Very high	78 Å²	78	51.1 Å²	51.1	40%	0.4	26%	0.26	S	S	.	.			trans	-137.8	117	-180	-62.1	178.6	0	0	0	108.1	P453 F459 P513	P453-I455 HydrophobicContact CB-CD1 4.12Å; P453-I455 HydrophobicContact CB-CG1 4.26Å; P453-I455 HydrophobicContact CG-CD1 4.37Å; P453-I455 PolarHBondContact O-N 2.83Å; I455-F459 HydrophobicContact CB-CD2 4.5Å; I455-F459 HydrophobicContact CG1-CD2 4.16Å; I455-F459 HydrophobicContact CG1-CE2 4.18Å; I455-F459 HydrophobicContact CG1-CG 4.42Å; I455-F459 HydrophobicContact CG1-CZ 4.46Å; I455-F459 HydrophobicContact CG2-CB 3.73Å; I455-F459 HydrophobicContact CG2-CD1 4.16Å; I455-F459 HydrophobicContact CG2-CD2 4.28Å; I455-F459 HydrophobicContact CG2-CG 3.82Å; I455-P513 HydrophobicContact CD1-CB 4.42Å; I455-P513 HydrophobicContact CG1-CB 4.1Å
456	C	94.6	Very high	96	Very high	53 Å²	53	50.9 Å²	50.9	36%	0.358	26%	0.259	S	S	.	.			trans	-106.1	177.3	172.6	-58.1	0	0	0	0	110.8	Y454 D458 F459 Y528	Y454-C456 WeakPolarHBondContact CE2-SG 3.38Å; C456-D458 VanDerWaalsContact CB-OD1 3.29Å; C456-D458 WeakPolarHBondContact CB-OD1 3.29Å; C456-D458 PolarHBondContact O-N 3.47Å; C456-D458 VanDerWaalsContact O-N 3.15Å; C456-F459 VanDerWaalsContact O-CB 3.27Å; C456-F459 WeakPolarHBondContact O-CB 3.5Å; C456-F459 PolarHBondContact O-N 3.14Å; C456-F459 VanDerWaalsContact O-N 3.09Å; C456-Y528 WeakPolarHBondContact CA-OH 3.43Å; C456-Y528 VanDerWaalsContact CB-OH 3.23Å; C456-Y528 WeakPolarHBondContact CB-OH 3.3Å; C456-Y528 PolarHBondContact N-OH 2.88Å
457	K	95.2	Very high	95.9	Very high	212 Å²	212	57.8 Å²	57.8	92%	0.922	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-26.7	-175.7	-66.3	-178.6	179.1	177.2	0	113.5	F459	K457-F459 VanDerWaalsContact C-N 3.34Å
458	D	92.7	Very high	95.6	Very high	46 Å²	46	58.9 Å²	58.9	25%	0.246	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-6.9	-179.5	62.1	-13.2	0	0	0	114	C456 E461 T462 Y528 N556	C456-D458 VanDerWaalsContact CB-OD1 3.29Å; C456-D458 WeakPolarHBondContact CB-OD1 3.29Å; C456-D458 PolarHBondContact O-N 3.47Å; C456-D458 VanDerWaalsContact O-N 3.15Å; D458-E461 PolarHBondContact O-N 2.88Å; D458-T462 WeakPolarHBondContact O-CB 3.12Å; D458-T462 PolarHBondContact O-N 2.82Å; D458-T462 PolarHBondContact O-OG1 3.1Å; D458-Y528 WeakPolarHBondContact OD1-CE2 3.19Å; D458-Y528 PolarHBondContact OD1-OH 3.18Å; D458-N556 PolarHBondContact OD2-ND2 3.02Å
459	F	95.7	Very high	95.4	Very high	22 Å²	22	58.8 Å²	58.8	10%	0.096	29%	0.294	C	S	.	.	H	α-helix	trans	-58.9	-46.3	-175.5	-171.7	-89.8	0	0	0	113.6	I455 C456 K457 N463 L511 Y528	I455-F459 HydrophobicContact CB-CD2 4.5Å; I455-F459 HydrophobicContact CG1-CD2 4.16Å; I455-F459 HydrophobicContact CG1-CE2 4.18Å; I455-F459 HydrophobicContact CG1-CG 4.42Å; I455-F459 HydrophobicContact CG1-CZ 4.46Å; I455-F459 HydrophobicContact CG2-CB 3.73Å; I455-F459 HydrophobicContact CG2-CD1 4.16Å; I455-F459 HydrophobicContact CG2-CD2 4.28Å; I455-F459 HydrophobicContact CG2-CG 3.82Å; C456-F459 VanDerWaalsContact O-CB 3.27Å; C456-F459 WeakPolarHBondContact O-CB 3.5Å; C456-F459 PolarHBondContact O-N 3.14Å; C456-F459 VanDerWaalsContact O-N 3.09Å; K457-F459 VanDerWaalsContact C-N 3.34Å; F459-N463 VanDerWaalsContact CD1-ND2 3.34Å; F459-N463 WeakPolarHBondContact CD1-ND2 3.31Å; F459-N463 WeakPolarHBondContact CE1-ND2 3.42Å; F459-N463 WeakPolarHBondContact O-CB 3.23Å; F459-N463 PolarHBondContact O-N 2.81Å; F459-N463 VanDerWaalsContact O-N 3.12Å; F459-N463 PolarHBondContact O-ND2 3.23Å; F459-L511 HydrophobicContact CD2-CB 4.06Å; F459-L511 HydrophobicContact CD2-CD1 3.72Å; F459-L511 HydrophobicContact CE2-CB 3.56Å; F459-L511 HydrophobicContact CE2-CD1 4.12Å; F459-L511 HydrophobicContact CG-CD1 4.29Å; F459-L511 HydrophobicContact CZ-CB 4.08Å; F459-Y528 HydrophobicContact CD2-CD1 4.35Å; F459-Y528 AromaticContact CD2-CE1 3.7Å; F459-Y528 HydrophobicContact CD2-CE1 3.7Å; F459-Y528 HydrophobicContact CE2-CE1 4.33Å
460	P	96.1	Very high	95.2	Very high	78 Å²	78	58.7 Å²	58.7	51%	0.506	29%	0.293	S	S	.	.	H	α-helix	trans	-69.9	-39.5	178.8	-18.1	33.4	0	0	0	112.6	N463 N464	P460-N463 PolarHBondContact O-N 3.07Å; P460-N464 PolarHBondContact O-N 3.21Å; P460-N464 PolarHBondContact O-ND2 3.3Å
461	E	93.8	Very high	95	Very high	83 Å²	83	61.8 Å²	61.8	39%	0.388	31%	0.308	S	S	.	.	H	α-helix	trans	-61.6	-47.8	178.4	-178.3	179.6	-175.4	0	0	110.8	D458 N463 N464 I465 R485	D458-E461 PolarHBondContact O-N 2.88Å; E461-N463 PolarHBondContact O-N 3.45Å; E461-N464 WeakPolarHBondContact O-CB 3.14Å; E461-N464 PolarHBondContact O-N 3.18Å; E461-I465 HydrophobicContact CG-CD1 4.31Å; E461-I465 WeakPolarHBondContact O-CG1 3.14Å; E461-I465 PolarHBondContact O-N 3.02Å; E461-R485 IonicContact OE1-CZ 3.05Å; E461-R485 IonicContact OE1-NH1 3.1Å; E461-R485 PolarHBondContact OE1-NH1 3.44Å; E461-R485 IonicContact OE1-NH2 2.88Å; E461-R485 PolarHBondContact OE1-NH2 2.81Å
462	T	94.4	Very high	94.9	Very high	5 Å²	5	57.4 Å²	57.4	3%	0.031	29%	0.288	C	S	.	.	H	α-helix	trans	-64.4	-42.9	-179.5	-50.7	0	0	0	0	111.1	D458 N464 I465 L466 L511 C554 N556 V557	D458-T462 WeakPolarHBondContact O-CB 3.12Å; D458-T462 PolarHBondContact O-N 2.82Å; D458-T462 PolarHBondContact O-OG1 3.1Å; T462-N464 VanDerWaalsContact C-N 3.3Å; T462-N464 PolarHBondContact O-N 3.04Å; T462-I465 WeakPolarHBondContact O-CB 3.38Å; T462-I465 PolarHBondContact O-N 3.35Å; T462-I465 VanDerWaalsContact O-N 3.15Å; T462-L466 HydrophobicContact CG2-CD1 4.31Å; T462-L466 HydrophobicContact CG2-CG 4.44Å; T462-L466 VanDerWaalsContact O-CG 3.3Å; T462-L466 WeakPolarHBondContact O-CG 3.35Å; T462-L466 PolarHBondContact O-N 3.49Å; T462-L511 HydrophobicContact CG2-CD1 3.72Å; T462-L511 HydrophobicContact CG2-CD2 3.86Å; T462-L511 HydrophobicContact CG2-CG 3.98Å; T462-C554 HydrophobicContact CG2-CB 4.5Å; T462-N556 PolarHBondContact OG1-ND2 2.83Å; T462-V557 HydrophobicContact CG2-CG2 4.12Å
463	N	97.1	Very high	94.7	Very high	29 Å²	29	51.2 Å²	51.2	16%	0.155	26%	0.261	C	S	.	.	H	α-helix	trans	-60.3	-37.8	174.4	-84.4	-63.1	0	0	0	113	F459 P460 E461 L466 K467 F510 L511	F459-N463 VanDerWaalsContact CD1-ND2 3.34Å; F459-N463 WeakPolarHBondContact CD1-ND2 3.31Å; F459-N463 WeakPolarHBondContact CE1-ND2 3.42Å; F459-N463 WeakPolarHBondContact O-CB 3.23Å; F459-N463 PolarHBondContact O-N 2.81Å; F459-N463 VanDerWaalsContact O-N 3.12Å; F459-N463 PolarHBondContact O-ND2 3.23Å; P460-N463 PolarHBondContact O-N 3.07Å; E461-N463 PolarHBondContact O-N 3.45Å; N463-L466 PolarHBondContact O-N 2.84Å; N463-K467 WeakPolarHBondContact O-CB 3.48Å; N463-K467 PolarHBondContact O-N 2.89Å; N463-F510 WeakPolarHBondContact OD1-CA 3.06Å; N463-F510 WeakPolarHBondContact OD1-CB 3.3Å; N463-L511 PolarHBondContact OD1-N 2.98Å
464	N	94.9	Very high	94.4	Very high	82 Å²	82	50.9 Å²	50.9	44%	0.439	26%	0.262	S	S	.	.	H	α-helix	trans	-65.4	-39.4	175.2	-72.7	-33.2	0	0	0	112	P460 E461 T462 K467 I468 L482	P460-N464 PolarHBondContact O-N 3.21Å; P460-N464 PolarHBondContact O-ND2 3.3Å; E461-N464 WeakPolarHBondContact O-CB 3.14Å; E461-N464 PolarHBondContact O-N 3.18Å; T462-N464 VanDerWaalsContact C-N 3.3Å; T462-N464 PolarHBondContact O-N 3.04Å; N464-K467 PolarHBondContact O-N 3.3Å; N464-I468 WeakPolarHBondContact O-CG1 3.36Å; N464-I468 PolarHBondContact O-N 3.45Å; N464-L482 HydrophobicContact CB-CD1 4.43Å
465	I	92.6	Very high	94	Very high	22 Å²	22	49.5 Å²	49.5	11%	0.113	26%	0.259	C	S	.	.	H	α-helix	trans	-62.7	-49.1	174	-66.2	168.2	0	0	0	110.1	E461 T462 K467 I468 V469 L482 V486 M553	E461-I465 HydrophobicContact CG-CD1 4.31Å; E461-I465 WeakPolarHBondContact O-CG1 3.14Å; E461-I465 PolarHBondContact O-N 3.02Å; T462-I465 WeakPolarHBondContact O-CB 3.38Å; T462-I465 PolarHBondContact O-N 3.35Å; T462-I465 VanDerWaalsContact O-N 3.15Å; I465-K467 VanDerWaalsContact C-N 3.31Å; I465-K467 PolarHBondContact O-N 2.9Å; I465-I468 WeakPolarHBondContact O-CB 3.32Å; I465-I468 PolarHBondContact O-N 3.23Å; I465-I468 VanDerWaalsContact O-N 3.11Å; I465-V469 HydrophobicContact CG2-CG2 4.41Å; I465-V469 WeakPolarHBondContact O-CG2 3.28Å; I465-V469 PolarHBondContact O-N 3.31Å; I465-L482 HydrophobicContact CG1-CD2 4.18Å; I465-V486 HydrophobicContact CG2-CG2 4.22Å; I465-M553 HydrophobicContact CG2-CE 4.05Å
466	L	95.9	Very high	93.6	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-60.9	-38.6	179.4	-65.9	175.6	0	0	0	112.5	T462 N463 I468 V469 A470 A509 L511 C530 I550	T462-L466 HydrophobicContact CG2-CD1 4.31Å; T462-L466 HydrophobicContact CG2-CG 4.44Å; T462-L466 VanDerWaalsContact O-CG 3.3Å; T462-L466 WeakPolarHBondContact O-CG 3.35Å; T462-L466 PolarHBondContact O-N 3.49Å; N463-L466 PolarHBondContact O-N 2.84Å; L466-I468 VanDerWaalsContact C-N 3.32Å; L466-I468 PolarHBondContact O-N 2.87Å; L466-V469 PolarHBondContact O-N 3.13Å; L466-A470 WeakPolarHBondContact O-CB 3.5Å; L466-A470 PolarHBondContact O-N 3.4Å; L466-A509 HydrophobicContact CB-CB 4.08Å; L466-L511 HydrophobicContact CD1-CD2 3.64Å; L466-L511 HydrophobicContact CD1-CG 3.89Å; L466-C530 HydrophobicContact CD1-CB 4.32Å; L466-I550 HydrophobicContact CD2-CB 4.45Å; L466-I550 HydrophobicContact CD2-CD1 4.13Å; L466-I550 HydrophobicContact CD2-CG1 4.08Å; L466-I550 HydrophobicContact CD2-CG2 3.56Å
467	K	94.9	Very high	93.4	Very high	146 Å²	146	53.4 Å²	53.4	64%	0.635	27%	0.271	S	S	*	.	H	α-helix	trans	-60.8	-42	174.8	-174.2	175.4	-179.1	176.5	0	111.9	N463 N464 I465 D471	N463-K467 WeakPolarHBondContact O-CB 3.48Å; N463-K467 PolarHBondContact O-N 2.89Å; N464-K467 PolarHBondContact O-N 3.3Å; I465-K467 VanDerWaalsContact C-N 3.31Å; I465-K467 PolarHBondContact O-N 2.9Å; K467-D471 WeakPolarHBondContact O-CB 3.23Å; K467-D471 PolarHBondContact O-N 3.5Å; K467-D471 VanDerWaalsContact O-N 3.1Å
468	I	93.8	Very high	93	Very high	23 Å²	23	50.9 Å²	50.9	12%	0.118	26%	0.26	C	S	.	.	H	α-helix	trans	-67.3	-39.4	175.7	-67.5	165.5	0	0	0	110.9	N464 I465 L466 D471 F472 L482 L483 V486	N464-I468 WeakPolarHBondContact O-CG1 3.36Å; N464-I468 PolarHBondContact O-N 3.45Å; I465-I468 WeakPolarHBondContact O-CB 3.32Å; I465-I468 PolarHBondContact O-N 3.23Å; I465-I468 VanDerWaalsContact O-N 3.11Å; L466-I468 VanDerWaalsContact C-N 3.32Å; L466-I468 PolarHBondContact O-N 2.87Å; I468-D471 CarbonylContact O-C 3.54Å; I468-D471 PolarHBondContact O-N 3.43Å; I468-F472 HydrophobicContact CG2-CD2 4.44Å; I468-F472 WeakPolarHBondContact O-CA 3.29Å; I468-F472 WeakPolarHBondContact O-CB 3.24Å; I468-F472 PolarHBondContact O-N 3.02Å; I468-L482 HydrophobicContact CD1-CB 3.41Å; I468-L482 VanDerWaalsContact CD1-CB 3.41Å; I468-L482 HydrophobicContact CD1-CG 4.5Å; I468-L483 HydrophobicContact CG2-CD1 3.68Å; I468-V486 HydrophobicContact CB-CG2 4.5Å; I468-V486 HydrophobicContact CG2-CG2 4Å
469	V	93.3	Very high	92.3	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.012	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-43.2	177.4	172.6	0	0	0	0	111.1	I465 L466 D471 V486 L498 T502 L546 I550 M553	I465-V469 HydrophobicContact CG2-CG2 4.41Å; I465-V469 WeakPolarHBondContact O-CG2 3.28Å; I465-V469 PolarHBondContact O-N 3.31Å; L466-V469 PolarHBondContact O-N 3.13Å; V469-D471 VanDerWaalsContact C-N 3.35Å; V469-V486 HydrophobicContact CG2-CG1 4.49Å; V469-L498 HydrophobicContact CG1-CD1 4.14Å; V469-L498 HydrophobicContact CG1-CD2 4.36Å; V469-T502 WeakPolarHBondContact O-CG2 3.39Å; V469-L546 HydrophobicContact CG1-CD2 4.18Å; V469-I550 HydrophobicContact CG1-CG1 4.26Å; V469-M553 HydrophobicContact CG2-CE 3.61Å; V469-M553 HydrophobicContact CG2-SD 4.03Å
470	A	94.1	Very high	91.7	Very high	6 Å²	6	58.1 Å²	58.1	5%	0.05	30%	0.299	C	S	.	.	H	α-helix	trans	-70.8	-28.4	179.4	0	0	0	0	0	113.7	L466 T502 L507 A509	L466-A470 WeakPolarHBondContact O-CB 3.5Å; L466-A470 PolarHBondContact O-N 3.4Å; A470-T502 WeakPolarHBondContact O-CG2 3.32Å; A470-L507 HydrophobicContact CB-CB 4.25Å; A470-A509 HydrophobicContact CB-CB 3.81Å
471	D	93.6	Very high	90.9	Very high	77 Å²	77	60.3 Å²	60.3	41%	0.412	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	37.1	-178.6	-166.7	33.5	0	0	0	111.7	K467 I468 V469 S473 A474 S475	K467-D471 WeakPolarHBondContact O-CB 3.23Å; K467-D471 PolarHBondContact O-N 3.5Å; K467-D471 VanDerWaalsContact O-N 3.1Å; I468-D471 CarbonylContact O-C 3.54Å; I468-D471 PolarHBondContact O-N 3.43Å; V469-D471 VanDerWaalsContact C-N 3.35Å; D471-S473 PolarHBondContact O-N 3.06Å; D471-A474 PolarHBondContact O-N 3.07Å; D471-A474 VanDerWaalsContact OD1-CB 3.23Å; D471-A474 WeakPolarHBondContact OD1-CB 3.41Å; D471-S475 WeakPolarHBondContact O-CB 3.47Å; D471-S475 PolarHBondContact O-N 2.94Å; D471-S475 PolarHBondContact O-OG 3.33Å
472	F	92.9	Very high	90.4	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.009	31%	0.305	C	S	.	.	H	α-helix	trans	-63	-45.9	-168.4	-171.4	-109.2	0	0	0	112.4	I468 A474 S475 V476 L483 V486 K487 Q495 L498 M499 T502	I468-F472 HydrophobicContact CG2-CD2 4.44Å; I468-F472 WeakPolarHBondContact O-CA 3.29Å; I468-F472 WeakPolarHBondContact O-CB 3.24Å; I468-F472 PolarHBondContact O-N 3.02Å; F472-A474 VanDerWaalsContact C-N 3.29Å; F472-A474 PolarHBondContact O-N 3.38Å; F472-S475 PolarHBondContact O-N 3.18Å; F472-S475 VanDerWaalsContact O-N 3.17Å; F472-V476 HydrophobicContact CD1-CG2 4.12Å; F472-V476 HydrophobicContact CD2-CG2 4.36Å; F472-V476 HydrophobicContact CE1-CG2 3.87Å; F472-V476 HydrophobicContact CE2-CG2 4.12Å; F472-V476 HydrophobicContact CG-CG2 4.37Å; F472-V476 HydrophobicContact CZ-CG2 3.87Å; F472-V476 VanDerWaalsContact O-CG2 3.31Å; F472-V476 WeakPolarHBondContact O-CG2 3.31Å; F472-V476 PolarHBondContact O-N 3.49Å; F472-L483 HydrophobicContact CD2-CD1 3.9Å; F472-L483 HydrophobicContact CE2-CD1 3.6Å; F472-V486 HydrophobicContact CD2-CG1 4.23Å; F472-V486 HydrophobicContact CE2-CG1 3.8Å; F472-K487 HydrophobicContact CZ-CG 4.38Å; F472-Q495 HydrophobicContact CE1-CB 4.27Å; F472-Q495 HydrophobicContact CZ-CB 4.37Å; F472-Q495 HydrophobicContact CZ-CG 4.13Å; F472-L498 HydrophobicContact CB-CD2 3.79Å; F472-L498 HydrophobicContact CB-CG 3.76Å; F472-L498 HydrophobicContact CD1-CB 4.1Å; F472-L498 HydrophobicContact CD1-CD2 3.8Å; F472-L498 HydrophobicContact CD1-CG 3.84Å; F472-L498 HydrophobicContact CD2-CD2 3.76Å; F472-L498 HydrophobicContact CE1-CD2 4.27Å; F472-L498 HydrophobicContact CE2-CD2 4.24Å; F472-L498 HydrophobicContact CG-CD2 3.51Å; F472-L498 HydrophobicContact CG-CG 3.82Å; F472-L498 HydrophobicContact CZ-CD2 4.48Å; F472-M499 HydrophobicContact CD1-CG 3.79Å; F472-M499 HydrophobicContact CD1-SD 3.61Å; F472-M499 HydrophobicContact CE1-CG 3.73Å; F472-M499 HydrophobicContact CE1-SD 3.79Å; F472-T502 HydrophobicContact CB-CG2 4.09Å
473	S	92.4	Very high	90	Very high	14 Å²	14	58.6 Å²	58.6	10%	0.098	30%	0.304	C	S	.	.	H	α-helix	trans	-60	-35.2	-179.7	76.3	0	0	0	0	113.7	D471 T502	D471-S473 PolarHBondContact O-N 3.06Å; S473-T502 WeakPolarHBondContact CB-OG1 3.41Å; S473-T502 PolarHBondContact N-OG1 2.92Å; S473-T502 PolarHBondContact OG-O 3.22Å
474	A	90.6	Very high	89.4	Confident	36 Å²	36	62.5 Å²	62.5	30%	0.298	32%	0.322	S	S	.	.	H	α-helix	trans	-81.5	-38.4	174.8	0	0	0	0	0	111.8	D471 F472 V476 K477 K478	D471-A474 PolarHBondContact O-N 3.07Å; D471-A474 VanDerWaalsContact OD1-CB 3.23Å; D471-A474 WeakPolarHBondContact OD1-CB 3.41Å; F472-A474 VanDerWaalsContact C-N 3.29Å; F472-A474 PolarHBondContact O-N 3.38Å; A474-V476 VanDerWaalsContact C-N 3.3Å; A474-V476 PolarHBondContact O-N 2.89Å; A474-K477 WeakPolarHBondContact O-CB 3.39Å; A474-K477 PolarHBondContact O-N 2.88Å; A474-K477 VanDerWaalsContact O-N 3.08Å; A474-K478 PolarHBondContact O-N 3.22Å
475	S	89.1	Confident	88.6	Confident	22 Å²	22	64.8 Å²	64.8	15%	0.154	32%	0.324	C	S	.	.	H	α-helix	trans	-62.5	-35.4	177.7	-65.2	0	0	0	0	112.2	D471 F472 K477 K478	D471-S475 WeakPolarHBondContact O-CB 3.47Å; D471-S475 PolarHBondContact O-N 2.94Å; D471-S475 PolarHBondContact O-OG 3.33Å; F472-S475 PolarHBondContact O-N 3.18Å; F472-S475 VanDerWaalsContact O-N 3.17Å; S475-K477 PolarHBondContact O-N 3.15Å; S475-K478 CarbonylContact O-C 3.53Å; S475-K478 PolarHBondContact O-N 3.39Å; S475-K478 VanDerWaalsContact O-N 3.08Å
476	V	89.1	Confident	88.1	Confident	43 Å²	43	63.8 Å²	63.8	26%	0.261	32%	0.319	S	S	.	.	H	α-helix	trans	-63.6	-30.4	174.7	171.1	0	0	0	0	112.3	F472 A474 K478 L483 M499	F472-V476 HydrophobicContact CD1-CG2 4.12Å; F472-V476 HydrophobicContact CD2-CG2 4.36Å; F472-V476 HydrophobicContact CE1-CG2 3.87Å; F472-V476 HydrophobicContact CE2-CG2 4.12Å; F472-V476 HydrophobicContact CG-CG2 4.37Å; F472-V476 HydrophobicContact CZ-CG2 3.87Å; F472-V476 VanDerWaalsContact O-CG2 3.31Å; F472-V476 WeakPolarHBondContact O-CG2 3.31Å; F472-V476 PolarHBondContact O-N 3.49Å; A474-V476 VanDerWaalsContact C-N 3.3Å; A474-V476 PolarHBondContact O-N 2.89Å; V476-K478 VanDerWaalsContact C-N 3.27Å; V476-K478 PolarHBondContact O-N 3.14Å; V476-L483 HydrophobicContact CG2-CD1 4.14Å; V476-L483 HydrophobicContact CG2-CD2 4.17Å; V476-M499 HydrophobicContact CB-SD 4.13Å; V476-M499 HydrophobicContact CG1-SD 4.47Å; V476-M499 HydrophobicContact CG2-SD 3.86Å
477	K	88.4	Confident	87.6	Confident	171 Å²	171	66.9 Å²	66.9	74%	0.743	33%	0.333	S	S	*	.	H	α-helix	trans	-72.4	-20.2	175.2	-61	172.3	-175.7	172.1	0	112.7	A474 S475	A474-K477 WeakPolarHBondContact O-CB 3.39Å; A474-K477 PolarHBondContact O-N 2.88Å; A474-K477 VanDerWaalsContact O-N 3.08Å; S475-K477 PolarHBondContact O-N 3.15Å
478	K	87.4	Confident	86.8	Confident	158 Å²	158	64.1 Å²	64.1	69%	0.687	34%	0.337	S	S	*	.	S	Bend	trans	-129.8	76.4	178.8	-68.1	-175.8	179.8	178.7	0	110.1	A474 S475 V476 H480	A474-K478 PolarHBondContact O-N 3.22Å; S475-K478 CarbonylContact O-C 3.53Å; S475-K478 PolarHBondContact O-N 3.39Å; S475-K478 VanDerWaalsContact O-N 3.08Å; V476-K478 VanDerWaalsContact C-N 3.27Å; V476-K478 PolarHBondContact O-N 3.14Å; K478-H480 PolarHBondContact O-CD2 2.94Å; K478-H480 PolarHBondContact O-N 3.36Å
479	P	78.8	Confident	85.9	Confident	83 Å²	83	67 Å²	67	54%	0.539	36%	0.358	S	S	.	.			trans	-67.2	133.4	-171.1	27.1	-34.3	0	0	0	112	L483	P479-L483 HydrophobicContact CB-CD2 4.15Å
480	H	81.9	Confident	85.3	Confident	137 Å²	137	67.5 Å²	67.5	63%	0.634	36%	0.361	S	S	*	.			trans	-129.5	166.3	171.9	-62.5	-49.5	0	0	0	110	K478 L482 L483	K478-H480 PolarHBondContact O-CD2 2.94Å; K478-H480 PolarHBondContact O-N 3.36Å; H480-L482 VanDerWaalsContact C-N 3.27Å; H480-L482 PolarHBondContact O-N 3.39Å; H480-L483 WeakPolarHBondContact O-CB 3.24Å; H480-L483 PolarHBondContact O-N 2.92Å
481	T	80.9	Confident	84.8	Confident	124 Å²	124	70.7 Å²	70.7	76%	0.761	38%	0.381	S	S	*	.	H	α-helix	trans	-56.4	-35.9	-174.5	45	0	0	0	0	113.8	L483 Q484	T481-L483 VanDerWaalsContact C-N 3.34Å; T481-L483 PolarHBondContact O-N 2.99Å; T481-Q484 PolarHBondContact O-N 3.18Å
482	L	81.9	Confident	84.5	Confident	48 Å²	48	74.4 Å²	74.4	25%	0.251	40%	0.395	S	S	.	.	H	α-helix	trans	-66.4	-30.6	176.7	-83	146.1	0	0	0	113.5	N464 I465 I468 H480 Q484 R485 V486	N464-L482 HydrophobicContact CB-CD1 4.43Å; I465-L482 HydrophobicContact CG1-CD2 4.18Å; I468-L482 HydrophobicContact CD1-CB 3.41Å; I468-L482 VanDerWaalsContact CD1-CB 3.41Å; I468-L482 HydrophobicContact CD1-CG 4.5Å; H480-L482 VanDerWaalsContact C-N 3.27Å; H480-L482 PolarHBondContact O-N 3.39Å; L482-Q484 VanDerWaalsContact C-N 3.28Å; L482-Q484 PolarHBondContact O-N 3.5Å; L482-R485 WeakPolarHBondContact O-CB 3.29Å; L482-R485 PolarHBondContact O-N 2.95Å; L482-V486 PolarHBondContact O-N 3.26Å
483	L	87.4	Confident	84	Confident	4 Å²	4	81.8 Å²	81.8	2%	0.021	43%	0.43	C	S	.	.	H	α-helix	trans	-64.6	-35.7	176.2	-178.6	70.9	0	0	0	111.2	I468 F472 V476 P479 H480 T481 R485 V486 K487	I468-L483 HydrophobicContact CG2-CD1 3.68Å; F472-L483 HydrophobicContact CD2-CD1 3.9Å; F472-L483 HydrophobicContact CE2-CD1 3.6Å; V476-L483 HydrophobicContact CG2-CD1 4.14Å; V476-L483 HydrophobicContact CG2-CD2 4.17Å; P479-L483 HydrophobicContact CB-CD2 4.15Å; H480-L483 WeakPolarHBondContact O-CB 3.24Å; H480-L483 PolarHBondContact O-N 2.92Å; T481-L483 VanDerWaalsContact C-N 3.34Å; T481-L483 PolarHBondContact O-N 2.99Å; L483-R485 VanDerWaalsContact C-N 3.28Å; L483-R485 PolarHBondContact O-N 3.11Å; L483-V486 PolarHBondContact O-N 3.4Å; L483-K487 WeakPolarHBondContact O-CG 3.44Å; L483-K487 PolarHBondContact O-N 3.05Å
484	Q	83.1	Confident	83.6	Confident	112 Å²	112	82 Å²	82	52%	0.523	43%	0.43	S	S	.	.	H	α-helix	trans	-64.6	-34.5	177.2	-62	-61.3	-22	0	0	111.7	T481 L482 K487 A488	T481-Q484 PolarHBondContact O-N 3.18Å; L482-Q484 VanDerWaalsContact C-N 3.28Å; L482-Q484 PolarHBondContact O-N 3.5Å; Q484-K487 PolarHBondContact O-N 3.1Å; Q484-A488 VanDerWaalsContact O-CB 3.3Å; Q484-A488 WeakPolarHBondContact O-CB 3.36Å; Q484-A488 PolarHBondContact O-N 3.27Å
485	R	78.9	Confident	83.6	Confident	129 Å²	129	82.2 Å²	82.2	49%	0.487	43%	0.425	S	S	.	.	H	α-helix	trans	-66.6	-41.5	173.2	-69.7	177.6	64.1	-169.6	-2.1	111.8	E461 L482 L483 A488 C489	E461-R485 IonicContact OE1-CZ 3.05Å; E461-R485 IonicContact OE1-NH1 3.1Å; E461-R485 PolarHBondContact OE1-NH1 3.44Å; E461-R485 IonicContact OE1-NH2 2.88Å; E461-R485 PolarHBondContact OE1-NH2 2.81Å; L482-R485 WeakPolarHBondContact O-CB 3.29Å; L482-R485 PolarHBondContact O-N 2.95Å; L483-R485 VanDerWaalsContact C-N 3.28Å; L483-R485 PolarHBondContact O-N 3.11Å; R485-A488 PolarHBondContact O-N 2.86Å; R485-C489 PolarHBondContact O-N 3.35Å; R485-C489 PolarHBondContact O-SG 3.25Å; R485-C489 VanDerWaalsContact O-SG 3.39Å
486	V	82.8	Confident	83.7	Confident	2 Å²	2	86.9 Å²	86.9	1%	0.012	44%	0.444	C	S	.	.	H	α-helix	trans	-60.8	-47.5	174.9	171.4	0	0	0	0	110.6	I465 I468 V469 F472 L482 L483 A488 C489 T490 M553	I465-V486 HydrophobicContact CG2-CG2 4.22Å; I468-V486 HydrophobicContact CB-CG2 4.5Å; I468-V486 HydrophobicContact CG2-CG2 4Å; V469-V486 HydrophobicContact CG2-CG1 4.49Å; F472-V486 HydrophobicContact CD2-CG1 4.23Å; F472-V486 HydrophobicContact CE2-CG1 3.8Å; L482-V486 PolarHBondContact O-N 3.26Å; L483-V486 PolarHBondContact O-N 3.4Å; V486-A488 PolarHBondContact O-N 3.47Å; V486-C489 PolarHBondContact O-N 2.88Å; V486-T490 WeakPolarHBondContact O-CB 3.45Å; V486-T490 WeakPolarHBondContact O-CG2 3.42Å; V486-T490 PolarHBondContact O-N 3Å; V486-T490 PolarHBondContact O-OG1 3.22Å; V486-M553 HydrophobicContact CB-CE 4.09Å; V486-M553 HydrophobicContact CG1-CE 3.66Å; V486-M553 HydrophobicContact CG2-CE 3.86Å
487	K	83.9	Confident	83.8	Confident	65 Å²	65	89.3 Å²	89.3	28%	0.283	45%	0.451	S	S	.	.	H	α-helix	trans	-62.9	-38.6	177	-71	-171.7	171.5	-165.9	0	113	F472 L483 Q484 C489 T490 Q495	F472-K487 HydrophobicContact CZ-CG 4.38Å; L483-K487 WeakPolarHBondContact O-CG 3.44Å; L483-K487 PolarHBondContact O-N 3.05Å; Q484-K487 PolarHBondContact O-N 3.1Å; K487-C489 VanDerWaalsContact C-N 3.25Å; K487-C489 PolarHBondContact O-N 3.16Å; K487-T490 WeakPolarHBondContact CA-OG1 3.44Å; K487-T490 PolarHBondContact O-N 2.84Å; K487-T490 VanDerWaalsContact O-O 3.05Å; K487-T490 PolarHBondContact O-OG1 3.44Å; K487-Q495 PolarHBondContact O-NE2 3.06Å; K487-Q495 VanDerWaalsContact O-NE2 3.15Å
488	A	78.9	Confident	83.9	Confident	88 Å²	88	81.2 Å²	81.2	73%	0.727	42%	0.416	S	S	*	.	H	α-helix	trans	-66	-27.8	178.2	0	0	0	0	0	113.1	Q484 R485 V486	Q484-A488 VanDerWaalsContact O-CB 3.3Å; Q484-A488 WeakPolarHBondContact O-CB 3.36Å; Q484-A488 PolarHBondContact O-N 3.27Å; R485-A488 PolarHBondContact O-N 2.86Å; V486-A488 PolarHBondContact O-N 3.47Å
489	C	74.4	Confident	84.2	Confident	84 Å²	84	76.9 Å²	76.9	57%	0.568	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	6.7	-180	-60.5	0	0	0	0	113.9	R485 V486 K487	R485-C489 PolarHBondContact O-N 3.35Å; R485-C489 PolarHBondContact O-SG 3.25Å; R485-C489 VanDerWaalsContact O-SG 3.39Å; V486-C489 PolarHBondContact O-N 2.88Å; K487-C489 VanDerWaalsContact C-N 3.25Å; K487-C489 PolarHBondContact O-N 3.16Å
490	T	81.1	Confident	85	Confident	12 Å²	12	78.8 Å²	78.8	7%	0.074	40%	0.401	C	S	.	.	S	Bend	trans	-128.7	141.3	-178	50.4	0	0	0	0	111.2	V486 K487 Q495 L549 M553	V486-T490 WeakPolarHBondContact O-CB 3.45Å; V486-T490 WeakPolarHBondContact O-CG2 3.42Å; V486-T490 PolarHBondContact O-N 3Å; V486-T490 PolarHBondContact O-OG1 3.22Å; K487-T490 WeakPolarHBondContact CA-OG1 3.44Å; K487-T490 PolarHBondContact O-N 2.84Å; K487-T490 VanDerWaalsContact O-O 3.05Å; K487-T490 PolarHBondContact O-OG1 3.44Å; T490-Q495 PolarHBondContact O-NE2 3.18Å; T490-Q495 VanDerWaalsContact OG1-CG 3.29Å; T490-Q495 WeakPolarHBondContact OG1-CG 3.47Å; T490-Q495 PolarHBondContact OG1-NE2 2.72Å; T490-L549 HydrophobicContact CG2-CD1 3.98Å; T490-M553 HydrophobicContact CG2-CE 4.32Å; T490-M553 HydrophobicContact CG2-CG 4.08Å; T490-M553 HydrophobicContact CG2-SD 3.65Å
491	T	83.9	Confident	85.5	Confident	74 Å²	74	72.6 Å²	72.6	45%	0.454	37%	0.372	S	S	.	.			trans	-71.7	162.2	176.6	64.6	0	0	0	0	111	E493 D494 Q495	T491-E493 VanDerWaalsContact C-N 3.31Å; T491-E493 PolarHBondContact O-N 3.36Å; T491-D494 PolarHBondContact O-N 3.39Å; T491-D494 VanDerWaalsContact OG1-CB 3.31Å; T491-D494 WeakPolarHBondContact OG1-CB 3.27Å; T491-D494 PolarHBondContact OG1-N 3.12Å; T491-D494 VanDerWaalsContact OG1-N 3.11Å; T491-D494 PolarHBondContact OG1-OD2 2.83Å; T491-Q495 VanDerWaalsContact O-CG 3.29Å; T491-Q495 WeakPolarHBondContact O-CG 3.46Å; T491-Q495 PolarHBondContact O-N 3.03Å
492	E	85.8	Confident	86.1	Confident	154 Å²	154	67.1 Å²	67.1	72%	0.72	34%	0.339	S	S	*	.	H	α-helix	trans	-59.9	-42.5	177	-169.1	172.7	-167.9	0	0	111.5	D494 Q495 E496	E492-D494 PolarHBondContact O-N 3.45Å; E492-Q495 WeakPolarHBondContact O-CB 3.21Å; E492-Q495 PolarHBondContact O-N 2.71Å; E492-E496 PolarHBondContact O-N 3.3Å
493	E	83.6	Confident	86.6	Confident	158 Å²	158	68.5 Å²	68.5	74%	0.738	35%	0.353	S	S	*	.	H	α-helix	trans	-60.9	-44.7	174.1	-65	179.9	-179.5	0	0	112.5	T491 Q495 E496 K497	T491-E493 VanDerWaalsContact C-N 3.31Å; T491-E493 PolarHBondContact O-N 3.36Å; E493-Q495 VanDerWaalsContact C-N 3.27Å; E493-Q495 PolarHBondContact O-N 3.12Å; E493-E496 PolarHBondContact O-N 2.99Å; E493-K497 WeakPolarHBondContact O-CB 3.38Å; E493-K497 PolarHBondContact O-N 2.78Å
494	D	84.1	Confident	86.9	Confident	18 Å²	18	74.3 Å²	74.3	10%	0.096	38%	0.383	C	S	.	.	H	α-helix	trans	-61	-39.3	176	-75.3	-48.4	0	0	0	110.8	T491 E492 L498 F545 L549 R552	T491-D494 PolarHBondContact O-N 3.39Å; T491-D494 VanDerWaalsContact OG1-CB 3.31Å; T491-D494 WeakPolarHBondContact OG1-CB 3.27Å; T491-D494 PolarHBondContact OG1-N 3.12Å; T491-D494 VanDerWaalsContact OG1-N 3.11Å; T491-D494 PolarHBondContact OG1-OD2 2.83Å; E492-D494 PolarHBondContact O-N 3.45Å; D494-L498 WeakPolarHBondContact O-CB 3.29Å; D494-L498 PolarHBondContact O-N 2.94Å; D494-F545 HydrophobicContact CB-CZ 4.33Å; D494-F545 WeakPolarHBondContact OD1-CE2 3.4Å; D494-L549 HydrophobicContact CB-CD1 4.24Å; D494-R552 VanDerWaalsContact CG-NH2 3.34Å; D494-R552 IonicContact OD1-CZ 3.35Å; D494-R552 IonicContact OD1-NH1 2.87Å; D494-R552 IonicContact OD1-NH2 2.67Å; D494-R552 PolarHBondContact OD1-NH2 3.34Å; D494-R552 IonicContact OD2-CZ 3.56Å; D494-R552 IonicContact OD2-NH1 2.71Å; D494-R552 PolarHBondContact OD2-NH1 3.3Å; D494-R552 IonicContact OD2-NH2 3.79Å; D494-R552 PolarHBondContact OD2-NH2 3Å
495	Q	90.4	Very high	87.3	Confident	41 Å²	41	70.8 Å²	70.8	19%	0.192	37%	0.366	C	S	.	.	H	α-helix	trans	-68.2	-44.1	178.8	-70.7	175.1	46.5	0	0	111.9	F472 K487 T490 T491 E492 E493 L498 M499	F472-Q495 HydrophobicContact CE1-CB 4.27Å; F472-Q495 HydrophobicContact CZ-CB 4.37Å; F472-Q495 HydrophobicContact CZ-CG 4.13Å; K487-Q495 PolarHBondContact O-NE2 3.06Å; K487-Q495 VanDerWaalsContact O-NE2 3.15Å; T490-Q495 PolarHBondContact O-NE2 3.18Å; T490-Q495 VanDerWaalsContact OG1-CG 3.29Å; T490-Q495 WeakPolarHBondContact OG1-CG 3.47Å; T490-Q495 PolarHBondContact OG1-NE2 2.72Å; T491-Q495 VanDerWaalsContact O-CG 3.29Å; T491-Q495 WeakPolarHBondContact O-CG 3.46Å; T491-Q495 PolarHBondContact O-N 3.03Å; E492-Q495 WeakPolarHBondContact O-CB 3.21Å; E492-Q495 PolarHBondContact O-N 2.71Å; E493-Q495 VanDerWaalsContact C-N 3.27Å; E493-Q495 PolarHBondContact O-N 3.12Å; Q495-L498 PolarHBondContact O-N 3.09Å; Q495-M499 WeakPolarHBondContact O-CB 3.45Å; Q495-M499 VanDerWaalsContact O-CG 3.22Å; Q495-M499 WeakPolarHBondContact O-CG 3.41Å; Q495-M499 PolarHBondContact O-N 3.2Å
496	E	91.8	Very high	88	Confident	119 Å²	119	67.7 Å²	67.7	56%	0.556	37%	0.365	S	S	*	.	H	α-helix	trans	-60.7	-46.5	175.6	-74.6	-171.9	163.7	0	0	111.5	E492 E493 L498 M499 Q500	E492-E496 PolarHBondContact O-N 3.3Å; E493-E496 PolarHBondContact O-N 2.99Å; E496-L498 PolarHBondContact O-N 3.2Å; E496-M499 WeakPolarHBondContact O-CB 3.16Å; E496-M499 PolarHBondContact O-N 3.35Å; E496-Q500 WeakPolarHBondContact O-CG 3.22Å; E496-Q500 PolarHBondContact O-N 2.93Å
497	K	89.4	Confident	88.6	Confident	94 Å²	94	68.4 Å²	68.4	41%	0.409	37%	0.368	S	S	.	.	H	α-helix	trans	-63	-43.1	177.1	-168.6	162.9	-178	171.1	0	111.3	E493 M499 Q500 I501 F545	E493-K497 WeakPolarHBondContact O-CB 3.38Å; E493-K497 PolarHBondContact O-N 2.78Å; K497-M499 VanDerWaalsContact C-N 3.34Å; K497-M499 PolarHBondContact O-N 3.34Å; K497-Q500 PolarHBondContact O-N 3.14Å; K497-I501 HydrophobicContact CG-CD1 3.99Å; K497-I501 VanDerWaalsContact O-CG1 3.23Å; K497-I501 WeakPolarHBondContact O-CG1 3.31Å; K497-I501 PolarHBondContact O-N 3.35Å; K497-F545 HydrophobicContact CB-CE1 4.32Å; K497-F545 HydrophobicContact CB-CE2 4.44Å; K497-F545 HydrophobicContact CB-CZ 4.01Å; K497-F545 HydrophobicContact CD-CD1 4.43Å; K497-F545 HydrophobicContact CD-CD2 3.76Å; K497-F545 HydrophobicContact CD-CE1 4.42Å; K497-F545 HydrophobicContact CD-CE2 3.76Å; K497-F545 HydrophobicContact CD-CG 4.1Å; K497-F545 HydrophobicContact CD-CZ 4.09Å; K497-F545 HydrophobicContact CG-CD1 4.32Å; K497-F545 HydrophobicContact CG-CD2 4.46Å; K497-F545 HydrophobicContact CG-CE1 4.1Å; K497-F545 HydrophobicContact CG-CE2 4.26Å; K497-F545 HydrophobicContact CG-CG 4.47Å; K497-F545 HydrophobicContact CG-CZ 4.07Å
498	L	92.4	Very high	89.3	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.005	37%	0.37	C	S	.	.	H	α-helix	trans	-64	-37.4	176.8	-170.6	64	0	0	0	112.4	V469 F472 D494 Q495 E496 T502 L546 L549	V469-L498 HydrophobicContact CG1-CD1 4.14Å; V469-L498 HydrophobicContact CG1-CD2 4.36Å; F472-L498 HydrophobicContact CB-CD2 3.79Å; F472-L498 HydrophobicContact CB-CG 3.76Å; F472-L498 HydrophobicContact CD1-CB 4.1Å; F472-L498 HydrophobicContact CD1-CD2 3.8Å; F472-L498 HydrophobicContact CD1-CG 3.84Å; F472-L498 HydrophobicContact CD2-CD2 3.76Å; F472-L498 HydrophobicContact CE1-CD2 4.27Å; F472-L498 HydrophobicContact CE2-CD2 4.24Å; F472-L498 HydrophobicContact CG-CD2 3.51Å; F472-L498 HydrophobicContact CG-CG 3.82Å; F472-L498 HydrophobicContact CZ-CD2 4.48Å; D494-L498 WeakPolarHBondContact O-CB 3.29Å; D494-L498 PolarHBondContact O-N 2.94Å; Q495-L498 PolarHBondContact O-N 3.09Å; E496-L498 PolarHBondContact O-N 3.2Å; L498-T502 HydrophobicContact CD1-CG2 4Å; L498-T502 HydrophobicContact CG-CG2 4.34Å; L498-T502 WeakPolarHBondContact O-CB 3.22Å; L498-T502 WeakPolarHBondContact O-CG2 3.42Å; L498-T502 PolarHBondContact O-N 2.82Å; L498-T502 PolarHBondContact O-OG1 3.29Å; L498-L546 HydrophobicContact CD1-CD2 3.46Å; L498-L546 VanDerWaalsContact CD1-CD2 3.46Å; L498-L549 HydrophobicContact CD1-CD2 4.15Å; L498-L549 HydrophobicContact CD2-CD2 4.16Å
499	M	93.6	Very high	90.1	Very high	68 Å²	68	64.4 Å²	64.4	34%	0.335	34%	0.339	S	S	.	.	H	α-helix	trans	-60.8	-45.9	173.5	-76.6	-70.2	-66.4	0	0	111.6	F472 V476 Q495 E496 K497 S503	F472-M499 HydrophobicContact CD1-CG 3.79Å; F472-M499 HydrophobicContact CD1-SD 3.61Å; F472-M499 HydrophobicContact CE1-CG 3.73Å; F472-M499 HydrophobicContact CE1-SD 3.79Å; V476-M499 HydrophobicContact CB-SD 4.13Å; V476-M499 HydrophobicContact CG1-SD 4.47Å; V476-M499 HydrophobicContact CG2-SD 3.86Å; Q495-M499 WeakPolarHBondContact O-CB 3.45Å; Q495-M499 VanDerWaalsContact O-CG 3.22Å; Q495-M499 WeakPolarHBondContact O-CG 3.41Å; Q495-M499 PolarHBondContact O-N 3.2Å; E496-M499 WeakPolarHBondContact O-CB 3.16Å; E496-M499 PolarHBondContact O-N 3.35Å; K497-M499 VanDerWaalsContact C-N 3.34Å; K497-M499 PolarHBondContact O-N 3.34Å; M499-S503 WeakPolarHBondContact O-CB 3.23Å; M499-S503 PolarHBondContact O-N 2.9Å; M499-S503 VanDerWaalsContact O-N 3.1Å; M499-S503 PolarHBondContact O-OG 2.83Å
500	Q	93.8	Very high	91.3	Very high	123 Å²	123	60.9 Å²	60.9	58%	0.575	31%	0.314	S	S	*	.	H	α-helix	trans	-60.9	-54.6	177.2	-69.8	178.5	-5	0	0	110.6	E496 K497 T502 S503 L504	E496-Q500 WeakPolarHBondContact O-CG 3.22Å; E496-Q500 PolarHBondContact O-N 2.93Å; K497-Q500 PolarHBondContact O-N 3.14Å; Q500-T502 PolarHBondContact O-N 2.85Å; Q500-S503 PolarHBondContact O-N 2.68Å; Q500-S503 VanDerWaalsContact O-N 3.12Å; Q500-S503 PolarHBondContact O-OG 2.96Å; Q500-L504 WeakPolarHBondContact O-CG 3.5Å; Q500-L504 PolarHBondContact O-N 2.71Å; Q500-L504 VanDerWaalsContact O-N 3.12Å
501	I	93.7	Very high	92.1	Very high	6 Å²	6	60.4 Å²	60.4	3%	0.031	31%	0.311	C	S	.	.	H	α-helix	trans	-54.7	-51.4	-177.1	-66.9	172	0	0	0	111.6	K497 S503 L504 H505 L507 S542 F545 L546	K497-I501 HydrophobicContact CG-CD1 3.99Å; K497-I501 VanDerWaalsContact O-CG1 3.23Å; K497-I501 WeakPolarHBondContact O-CG1 3.31Å; K497-I501 PolarHBondContact O-N 3.35Å; I501-S503 VanDerWaalsContact C-N 3.27Å; I501-S503 PolarHBondContact O-N 2.73Å; I501-L504 PolarHBondContact O-N 3.42Å; I501-H505 PolarHBondContact O-N 2.93Å; I501-H505 PolarHBondContact O-ND1 2.88Å; I501-L507 HydrophobicContact CG2-CD1 3.99Å; I501-S542 WeakPolarHBondContact CG1-OG 3.39Å; I501-F545 HydrophobicContact CD1-CB 4.43Å; I501-F545 HydrophobicContact CD1-CD1 3.35Å; I501-F545 HydrophobicContact CD1-CE1 3.9Å; I501-F545 HydrophobicContact CD1-CG 4.16Å; I501-L546 HydrophobicContact CG2-CD1 4.38Å
502	T	93.5	Very high	92.8	Very high	9 Å²	9	56.9 Å²	56.9	6%	0.055	29%	0.289	C	S	.	.	H	α-helix	trans	-79.8	-5.9	-175.3	61.5	0	0	0	0	113.6	V469 A470 F472 S473 L498 Q500	V469-T502 WeakPolarHBondContact O-CG2 3.39Å; A470-T502 WeakPolarHBondContact O-CG2 3.32Å; F472-T502 HydrophobicContact CB-CG2 4.09Å; S473-T502 WeakPolarHBondContact CB-OG1 3.41Å; S473-T502 PolarHBondContact N-OG1 2.92Å; S473-T502 PolarHBondContact OG-O 3.22Å; L498-T502 HydrophobicContact CD1-CG2 4Å; L498-T502 HydrophobicContact CG-CG2 4.34Å; L498-T502 WeakPolarHBondContact O-CB 3.22Å; L498-T502 WeakPolarHBondContact O-CG2 3.42Å; L498-T502 PolarHBondContact O-N 2.82Å; L498-T502 PolarHBondContact O-OG1 3.29Å; Q500-T502 PolarHBondContact O-N 2.85Å
503	S	92.4	Very high	93.4	Very high	78 Å²	78	49.6 Å²	49.6	55%	0.545	26%	0.255	S	S	.	.	H	α-helix	trans	-90.5	-30.7	169.9	71.7	0	0	0	0	112.4	M499 Q500 I501	M499-S503 WeakPolarHBondContact O-CB 3.23Å; M499-S503 PolarHBondContact O-N 2.9Å; M499-S503 VanDerWaalsContact O-N 3.1Å; M499-S503 PolarHBondContact O-OG 2.83Å; Q500-S503 PolarHBondContact O-N 2.68Å; Q500-S503 VanDerWaalsContact O-N 3.12Å; Q500-S503 PolarHBondContact O-OG 2.96Å; I501-S503 VanDerWaalsContact C-N 3.27Å; I501-S503 PolarHBondContact O-N 2.73Å
504	L	92.3	Very high	94.1	Very high	125 Å²	125	42.2 Å²	42.2	65%	0.654	22%	0.221	S	C	*	.	H	α-helix	trans	-82.2	-36.2	179.3	-67.4	173.3	0	0	0	112.1	Q500 I501	Q500-L504 WeakPolarHBondContact O-CG 3.5Å; Q500-L504 PolarHBondContact O-N 2.71Å; Q500-L504 VanDerWaalsContact O-N 3.12Å; I501-L504 PolarHBondContact O-N 3.42Å
505	H	92.5	Very high	94.6	Very high	38 Å²	38	46.3 Å²	46.3	18%	0.176	24%	0.238	C	C	.	.	S	Bend	trans	-122.6	137.4	-172.6	-50.3	95.6	0	0	0	111.6	I501 L507 D539	I501-H505 PolarHBondContact O-N 2.93Å; I501-H505 PolarHBondContact O-ND1 2.88Å; H505-L507 HydrophobicContact CB-CD2 3.96Å; H505-L507 HydrophobicContact CB-CG 4.01Å; H505-L507 PolarHBondContact O-N 2.83Å; H505-D539 IonicContact CE1-OD2 3.76Å
506	S	93.3	Very high	94.8	Very high	65 Å²	65	44.3 Å²	44.3	46%	0.455	23%	0.229	S	C	.	.			trans	-85.7	98.9	169.7	177.3	0	0	0	0	109.9	K535	S506-K535 PolarHBondContact O-N 2.92Å; S506-K535 VanDerWaalsContact O-N 3.14Å
507	L	96.2	Very high	94.7	Very high	16 Å²	16	38.8 Å²	38.8	8%	0.084	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	151.8	-177.1	-57.2	178.8	0	0	0	112.5	A470 I501 H505 S533 L546	A470-L507 HydrophobicContact CB-CB 4.25Å; I501-L507 HydrophobicContact CG2-CD1 3.99Å; H505-L507 HydrophobicContact CB-CD2 3.96Å; H505-L507 HydrophobicContact CB-CG 4.01Å; H505-L507 PolarHBondContact O-N 2.83Å; L507-S533 WeakPolarHBondContact CA-O 3.37Å; L507-L546 HydrophobicContact CD1-CD1 3.62Å
508	N	97.1	Very high	94	Very high	59 Å²	59	34.3 Å²	34.3	32%	0.316	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130.7	165.1	-58.6	124.6	0	0	0	108.9	F510 I532 S533	N508-F510 HydrophobicContact CB-CD1 4.41Å; N508-F510 HydrophobicContact CB-CE1 4.25Å; N508-I532 CarbonylContact O-C 3.58Å; N508-I532 VanDerWaalsContact O-CA 3.24Å; N508-I532 WeakPolarHBondContact O-CA 3.41Å; N508-S533 PolarHBondContact N-O 2.87Å; N508-S533 PolarHBondContact O-N 3.36Å
509	A	97.7	Very high	92.8	Very high	10 Å²	10	36 Å²	36	8%	0.083	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	135.3	173.5	0	0	0	0	0	110.5	L466 A470 G531 I532	L466-A509 HydrophobicContact CB-CB 4.08Å; A470-A509 HydrophobicContact CB-CB 3.81Å; A509-G531 WeakPolarHBondContact CA-O 3.49Å; A509-I532 HydrophobicContact CB-CG1 4.18Å
510	F	98.4	Very high	91.3	Very high	11 Å²	11	35.2 Å²	35.2	5%	0.048	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	162.2	-176.7	46.1	-97.1	0	0	0	111.1	N463 N508 L512 C530 G531 I563 V568 P571 F620	N463-F510 WeakPolarHBondContact OD1-CA 3.06Å; N463-F510 WeakPolarHBondContact OD1-CB 3.3Å; N508-F510 HydrophobicContact CB-CD1 4.41Å; N508-F510 HydrophobicContact CB-CE1 4.25Å; F510-L512 HydrophobicContact CD2-CD2 4.06Å; F510-L512 HydrophobicContact CE2-CD2 3.71Å; F510-C530 CarbonylContact O-C 3.58Å; F510-C530 WeakPolarHBondContact O-CA 3.19Å; F510-G531 PolarHBondContact N-O 3.19Å; F510-G531 PolarHBondContact O-N 3.44Å; F510-I563 HydrophobicContact CE2-CD1 3.78Å; F510-I563 HydrophobicContact CZ-CD1 3.6Å; F510-V568 HydrophobicContact CE1-CB 3.78Å; F510-V568 HydrophobicContact CE1-CG1 3.94Å; F510-V568 HydrophobicContact CE2-CG1 4.25Å; F510-V568 HydrophobicContact CZ-CB 3.54Å; F510-V568 HydrophobicContact CZ-CG1 3.49Å; F510-V568 VanDerWaalsContact CZ-CG1 3.49Å; F510-V568 HydrophobicContact CZ-CG2 4.1Å; F510-P571 HydrophobicContact CB-CB 4.18Å; F510-P571 HydrophobicContact CB-CG 4.02Å; F510-P571 HydrophobicContact CD1-CB 4.14Å; F510-P571 HydrophobicContact CD1-CG 4.32Å; F510-P571 HydrophobicContact CD2-CB 3.32Å; F510-P571 HydrophobicContact CD2-CG 4.11Å; F510-P571 HydrophobicContact CE1-CB 4.4Å; F510-P571 HydrophobicContact CE2-CB 3.63Å; F510-P571 HydrophobicContact CG-CB 3.61Å; F510-P571 HydrophobicContact CG-CG 3.89Å; F510-P571 HydrophobicContact CZ-CB 4.17Å; F510-F620 HydrophobicContact CE2-CE1 4.43Å
511	L	98.5	Very high	89.6	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	141	172.1	-65.2	-175.3	0	0	0	111.1	F459 T462 N463 L466 Y528 V557	F459-L511 HydrophobicContact CD2-CB 4.06Å; F459-L511 HydrophobicContact CD2-CD1 3.72Å; F459-L511 HydrophobicContact CE2-CB 3.56Å; F459-L511 HydrophobicContact CE2-CD1 4.12Å; F459-L511 HydrophobicContact CG-CD1 4.29Å; F459-L511 HydrophobicContact CZ-CB 4.08Å; T462-L511 HydrophobicContact CG2-CD1 3.72Å; T462-L511 HydrophobicContact CG2-CD2 3.86Å; T462-L511 HydrophobicContact CG2-CG 3.98Å; N463-L511 PolarHBondContact OD1-N 2.98Å; L466-L511 HydrophobicContact CD1-CD2 3.64Å; L466-L511 HydrophobicContact CD1-CG 3.89Å; L511-Y528 HydrophobicContact CD1-CD1 4.16Å; L511-Y528 HydrophobicContact CD1-CD2 3.91Å; L511-Y528 HydrophobicContact CD1-CE1 4.36Å; L511-Y528 HydrophobicContact CD1-CE2 4.13Å; L511-Y528 HydrophobicContact CD1-CG 3.93Å; L511-Y528 HydrophobicContact CD2-CG 4.24Å; L511-V557 HydrophobicContact CD2-CG2 3.82Å
512	L	98.5	Very high	87.6	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	136.9	166.3	-58.4	176.7	0	0	0	108.7	F510 I514 V529 V561 L618 F620 M679	F510-L512 HydrophobicContact CD2-CD2 4.06Å; F510-L512 HydrophobicContact CE2-CD2 3.71Å; L512-I514 HydrophobicContact CB-CD1 4.32Å; L512-I514 HydrophobicContact CB-CG1 3.87Å; L512-I514 PolarHBondContact O-N 3.4Å; L512-V529 HydrophobicContact CB-CB 4.34Å; L512-V529 HydrophobicContact CD1-CB 4.3Å; L512-V529 HydrophobicContact CD1-CG1 3.88Å; L512-V529 PolarHBondContact N-O 2.9Å; L512-V561 HydrophobicContact CD1-CG2 4.16Å; L512-L618 HydrophobicContact CB-CD1 4.06Å; L512-L618 HydrophobicContact CD1-CD1 3.74Å; L512-L618 HydrophobicContact CD2-CD1 4.08Å; L512-L618 HydrophobicContact CG-CD1 4.18Å; L512-F620 HydrophobicContact CD2-CE1 3.92Å; L512-F620 HydrophobicContact CD2-CZ 3.79Å; L512-M679 HydrophobicContact CD1-SD 4.06Å
513	P	97.8	Very high	85.4	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	51.6	-173.8	34.1	-38.6	0	0	0	112.6	P453 Y454 I455 P572 V575 L618	P453-P513 HydrophobicContact CB-CB 3.83Å; P453-P513 HydrophobicContact CB-CG 4.45Å; Y454-P513 PolarHBondContact N-O 2.94Å; Y454-P513 WeakPolarHBondContact O-CA 3.49Å; I455-P513 HydrophobicContact CD1-CB 4.42Å; I455-P513 HydrophobicContact CG1-CB 4.1Å; P513-P572 VanDerWaalsContact CD-O 3.29Å; P513-P572 WeakPolarHBondContact CD-O 3.41Å; P513-P572 WeakPolarHBondContact CG-O 3.33Å; P513-V575 HydrophobicContact CG-CG1 4.08Å; P513-L618 HydrophobicContact CG-CD2 4.14Å
514	I	98.1	Very high	84.3	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.021	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	157.9	-177.1	53.7	166.2	0	0	0	110.9	I448 L512 V529 V575 T616 P617 L618 W692	I448-I514 HydrophobicContact CD1-CD1 3.68Å; I448-I514 HydrophobicContact CG2-CB 4.36Å; I448-I514 HydrophobicContact CG2-CG2 4.43Å; L512-I514 HydrophobicContact CB-CD1 4.32Å; L512-I514 HydrophobicContact CB-CG1 3.87Å; L512-I514 PolarHBondContact O-N 3.4Å; I514-V529 HydrophobicContact CD1-CB 4.32Å; I514-V529 HydrophobicContact CD1-CG2 3.93Å; I514-V529 HydrophobicContact CG1-CB 4.3Å; I514-V529 HydrophobicContact CG1-CG2 4.06Å; I514-V575 HydrophobicContact CG2-CG1 4.24Å; I514-T616 HydrophobicContact CD1-CG2 4.33Å; I514-P617 HydrophobicContact CG2-CG 3.71Å; I514-L618 HydrophobicContact CD1-CD1 3.9Å; I514-L618 HydrophobicContact CG1-CD1 4.46Å; I514-L618 HydrophobicContact CG2-CD2 4.09Å; I514-L618 HydrophobicContact CG2-CG 4.37Å; I514-W692 HydrophobicContact CD1-CZ3 4.02Å
515	K	94.4	Very high	83.6	Confident	103 Å²	103	41.3 Å²	41.3	45%	0.448	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	145.1	174.9	-74.5	-175.9	-76.4	179.9	0	111.4	Y454 S527	Y454-K515 HydrophobicContact CD1-CD 4.27Å; Y454-K515 HydrophobicContact CD1-CG 3.38Å; Y454-K515 HydrophobicContact CD2-CD 3.61Å; Y454-K515 HydrophobicContact CD2-CG 3.61Å; Y454-K515 HydrophobicContact CE1-CD 4.25Å; Y454-K515 HydrophobicContact CE1-CG 3.59Å; Y454-K515 HydrophobicContact CE2-CD 3.6Å; Y454-K515 HydrophobicContact CE2-CG 3.82Å; Y454-K515 HydrophobicContact CG-CD 3.96Å; Y454-K515 HydrophobicContact CG-CG 3.38Å; K515-S527 WeakPolarHBondContact CA-O 3.22Å
516	T	95.6	Very high	83.3	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	150	167.6	-173.4	0	0	0	0	110.6	Y526 S527 V529 N558 R559 W692	T516-Y526 WeakPolarHBondContact O-CA 3.49Å; T516-S527 PolarHBondContact N-O 3.44Å; T516-S527 PolarHBondContact O-N 2.78Å; T516-S527 VanDerWaalsContact O-N 3.09Å; T516-V529 HydrophobicContact CG2-CG2 3.5Å; T516-N558 HydrophobicContact CG2-CB 3.84Å; T516-N558 PolarHBondContact O-ND2 3.35Å; T516-R559 HydrophobicContact CG2-CB 4.08Å; T516-R559 HydrophobicContact CG2-CG 3.71Å; T516-R559 WeakPolarHBondContact OG1-CD 3.42Å; T516-R559 PolarHBondContact OG1-NE 3.46Å; T516-W692 WeakPolarHBondContact CA-O 3.31Å; T516-W692 PolarHBondContact OG1-O 3.09Å
517	V	90.4	Very high	83.2	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	140.8	171.6	58	0	0	0	0	111.3	R524 S525 Y526 R559 T689 W692	V517-R524 HydrophobicContact CG2-CG 3.49Å; V517-R524 VanDerWaalsContact CG2-CG 3.49Å; V517-S525 CarbonylContact C-O 3.49Å; V517-S525 VanDerWaalsContact CA-O 3.3Å; V517-S525 WeakPolarHBondContact CA-O 3.07Å; V517-Y526 HydrophobicContact CB-CD1 4.03Å; V517-Y526 HydrophobicContact CB-CE1 3.66Å; V517-Y526 HydrophobicContact CG2-CE1 4.44Å; V517-R559 PolarHBondContact O-NH2 3.11Å; V517-T689 VanDerWaalsContact CG1-OG1 3.25Å; V517-T689 WeakPolarHBondContact CG1-OG1 3.09Å; V517-T689 HydrophobicContact CG2-CG2 4.29Å; V517-W692 VanDerWaalsContact CG1-C 3.47Å; V517-W692 WeakPolarHBondContact CG1-O 3.42Å; V517-W692 PolarHBondContact N-O 3.15Å
518	G	74.8	Confident	83.3	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	170.6	162.5	0	0	0	0	0	111	S525 N558 P687	G518-S525 PolarHBondContact N-O 2.8Å; G518-S525 PolarHBondContact O-N 2.81Å; G518-N558 PolarHBondContact N-ND2 3.25Å; G518-N558 VanDerWaalsContact N-ND2 3.16Å; G518-P687 CarbonylContact C-O 3.52Å; G518-P687 WeakPolarHBondContact CA-O 3.12Å
519	V	65.5	Low	83.3	Confident	37 Å²	37	36.3 Å²	36.3	22%	0.224	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.9	171.3	61.6	0	0	0	0	108.5	K685 P686 P687 T689	V519-K685 HydrophobicContact CG1-CG 4.18Å; V519-P686 HydrophobicContact CG1-CB 4.18Å; V519-P687 PolarHBondContact N-O 3.3Å; V519-P687 WeakPolarHBondContact O-CA 3.37Å; V519-T689 HydrophobicContact CB-CG2 4.27Å; V519-T689 HydrophobicContact CG1-CG2 4.1Å
520	Q	62.3	Low	83.4	Confident	51 Å²	51	35.9 Å²	35.9	24%	0.238	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	113.1	-179.4	-67.4	-174.6	4.6	0	0	108.6	D522 C523 H555 N558 P687	Q520-D522 PolarHBondContact O-N 3.3Å; Q520-C523 PolarHBondContact N-O 2.96Å; Q520-C523 VanDerWaalsContact N-O 3.1Å; Q520-C523 PolarHBondContact O-N 2.77Å; Q520-C523 PolarHBondContact O-SG 3.37Å; Q520-C523 VanDerWaalsContact O-SG 3.36Å; Q520-H555 PolarHBondContact NE2-O 2.65Å; Q520-H555 PolarHBondContact OE1-O 2.68Å; Q520-N558 PolarHBondContact NE2-OD1 3Å; Q520-P687 HydrophobicContact CG-CB 4.38Å
521	G	59.2	Low	83.4	Confident	68 Å²	68	35.3 Å²	35.3	70%	0.701	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	-127.5	-166.4	0	0	0	0	0	110.3
522	D	50.4	Low	83.4	Confident	173 Å²	173	35.4 Å²	35.4	93%	0.925	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-5.5	-175.6	-59.2	-25.5	0	0	0	113.5	Q520	Q520-D522 PolarHBondContact O-N 3.3Å
523	C	47.7	Very low	83.4	Confident	80 Å²	80	35.4 Å²	35.4	54%	0.541	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	148	-173.3	67.4	0	0	0	0	113.9	Q520	Q520-C523 PolarHBondContact N-O 2.96Å; Q520-C523 VanDerWaalsContact N-O 3.1Å; Q520-C523 PolarHBondContact O-N 2.77Å; Q520-C523 PolarHBondContact O-SG 3.37Å; Q520-C523 VanDerWaalsContact O-SG 3.36Å
524	R	69.7	Low	83.3	Confident	113 Å²	113	35.5 Å²	35.5	43%	0.426	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	132.8	170.9	-168.6	-178.3	-173.8	155.3	16.9	109.2	E334 R337 V517 Y526 E693	E334-R524 IonicContact OE1-CZ 2.84Å; E334-R524 VanDerWaalsContact OE1-CZ 3.28Å; E334-R524 IonicContact OE1-NE 3.38Å; E334-R524 IonicContact OE1-NH1 3.32Å; E334-R524 PolarHBondContact OE1-NH1 2.96Å; E334-R524 IonicContact OE2-NH1 2.92Å; R337-R524 VanDerWaalsContact CZ-NH2 3.33Å; V517-R524 HydrophobicContact CG2-CG 3.49Å; V517-R524 VanDerWaalsContact CG2-CG 3.49Å; R524-Y526 HydrophobicContact CG-CE2 4.43Å; R524-Y526 PolarHBondContact NE-OH 2.86Å; R524-Y526 VanDerWaalsContact NE-OH 3.15Å; R524-Y526 PolarHBondContact NH2-OH 2.77Å; R524-E693 PolarHBondContact NH2-OXT 2.74Å
525	S	76.8	Confident	83.1	Confident	35 Å²	35	42.3 Å²	42.3	25%	0.245	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	146.8	178.6	176.4	0	0	0	0	110.9	V517 G518 N558	V517-S525 CarbonylContact C-O 3.49Å; V517-S525 VanDerWaalsContact CA-O 3.3Å; V517-S525 WeakPolarHBondContact CA-O 3.07Å; G518-S525 PolarHBondContact N-O 2.8Å; G518-S525 PolarHBondContact O-N 2.81Å; S525-N558 PolarHBondContact O-ND2 2.73Å
526	Y	86.7	Confident	83.1	Confident	62 Å²	62	41.1 Å²	41.1	24%	0.243	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	110.5	170.9	-71.9	-88.6	0	0	0	109.4	P333 E334 T516 V517 R524 E693	P333-Y526 HydrophobicContact CB-CE1 4.05Å; P333-Y526 HydrophobicContact CG-CD1 4.45Å; P333-Y526 HydrophobicContact CG-CE1 3.67Å; E334-Y526 PolarHBondContact OE1-OH 2.97Å; T516-Y526 WeakPolarHBondContact O-CA 3.49Å; V517-Y526 HydrophobicContact CB-CD1 4.03Å; V517-Y526 HydrophobicContact CB-CE1 3.66Å; V517-Y526 HydrophobicContact CG2-CE1 4.44Å; R524-Y526 HydrophobicContact CG-CE2 4.43Å; R524-Y526 PolarHBondContact NE-OH 2.86Å; R524-Y526 VanDerWaalsContact NE-OH 3.15Å; R524-Y526 PolarHBondContact NH2-OH 2.77Å; Y526-E693 PolarHBondContact OH-OXT 3.13Å
527	S	91.9	Very high	82.9	Confident	12 Å²	12	49.3 Å²	49.3	8%	0.084	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	-169.6	-172.2	-143.7	0	0	0	0	112	K515 T516 N556 N558	K515-S527 WeakPolarHBondContact CA-O 3.22Å; T516-S527 PolarHBondContact N-O 3.44Å; T516-S527 PolarHBondContact O-N 2.78Å; T516-S527 VanDerWaalsContact O-N 3.09Å; S527-N556 WeakPolarHBondContact CB-O 3.24Å; S527-N556 PolarHBondContact OG-O 3.07Å; S527-N558 PolarHBondContact N-ND2 3.41Å
528	Y	97.4	Very high	83.1	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	160.3	-167.6	-60.4	-73.7	0	0	0	114.5	Y454 C456 D458 F459 L511 N556 N558	Y454-Y528 AromaticContact CD1-CD1 3.48Å; Y454-Y528 HydrophobicContact CD1-CD1 3.48Å; Y454-Y528 VanDerWaalsContact CD1-CD1 3.48Å; Y454-Y528 AromaticContact CD1-CE1 3.36Å; Y454-Y528 HydrophobicContact CD1-CE1 3.36Å; Y454-Y528 HydrophobicContact CD1-CG 4.37Å; Y454-Y528 AromaticContact CE1-CD1 3.53Å; Y454-Y528 HydrophobicContact CE1-CD1 3.53Å; Y454-Y528 HydrophobicContact CE1-CD2 4.37Å; Y454-Y528 AromaticContact CE1-CE1 3.37Å; Y454-Y528 HydrophobicContact CE1-CE1 3.37Å; Y454-Y528 HydrophobicContact CE1-CE2 4.24Å; Y454-Y528 HydrophobicContact CE1-CG 4.04Å; Y454-Y528 AromaticContact CE1-CZ 3.78Å; Y454-Y528 HydrophobicContact CG-CE1 4.35Å; Y454-Y528 WeakPolarHBondContact O-CE1 3.34Å; C456-Y528 WeakPolarHBondContact CA-OH 3.43Å; C456-Y528 VanDerWaalsContact CB-OH 3.23Å; C456-Y528 WeakPolarHBondContact CB-OH 3.3Å; C456-Y528 PolarHBondContact N-OH 2.88Å; D458-Y528 WeakPolarHBondContact OD1-CE2 3.19Å; D458-Y528 PolarHBondContact OD1-OH 3.18Å; F459-Y528 HydrophobicContact CD2-CD1 4.35Å; F459-Y528 AromaticContact CD2-CE1 3.7Å; F459-Y528 HydrophobicContact CD2-CE1 3.7Å; F459-Y528 HydrophobicContact CE2-CE1 4.33Å; L511-Y528 HydrophobicContact CD1-CD1 4.16Å; L511-Y528 HydrophobicContact CD1-CD2 3.91Å; L511-Y528 HydrophobicContact CD1-CE1 4.36Å; L511-Y528 HydrophobicContact CD1-CE2 4.13Å; L511-Y528 HydrophobicContact CD1-CG 3.93Å; L511-Y528 HydrophobicContact CD2-CG 4.24Å; Y528-N556 HydrophobicContact CD2-CB 4.42Å; Y528-N556 VanDerWaalsContact CD2-O 3.25Å; Y528-N556 WeakPolarHBondContact CD2-O 3.43Å; Y528-N556 PolarHBondContact N-O 2.86Å; Y528-N558 PolarHBondContact O-N 3.34Å
529	V	98.4	Very high	84.2	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	131.5	162.6	-177.6	0	0	0	0	108.5	L512 I514 T516 R559 V561 W692	L512-V529 HydrophobicContact CB-CB 4.34Å; L512-V529 HydrophobicContact CD1-CB 4.3Å; L512-V529 HydrophobicContact CD1-CG1 3.88Å; L512-V529 PolarHBondContact N-O 2.9Å; I514-V529 HydrophobicContact CD1-CB 4.32Å; I514-V529 HydrophobicContact CD1-CG2 3.93Å; I514-V529 HydrophobicContact CG1-CB 4.3Å; I514-V529 HydrophobicContact CG1-CG2 4.06Å; T516-V529 HydrophobicContact CG2-CG2 3.5Å; V529-R559 HydrophobicContact CG1-CB 4.33Å; V529-R559 HydrophobicContact CG2-CB 4.44Å; V529-V561 HydrophobicContact CG1-CG1 3.92Å; V529-V561 HydrophobicContact CG1-CG2 4.01Å; V529-W692 HydrophobicContact CG1-CH2 3.84Å; V529-W692 HydrophobicContact CG1-CZ3 4.36Å; V529-W692 HydrophobicContact CG2-CE3 4.35Å; V529-W692 HydrophobicContact CG2-CH2 3.92Å; V529-W692 HydrophobicContact CG2-CZ3 3.65Å
530	C	98.6	Very high	85.7	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	128.2	167.6	175.6	0	0	0	0	110.1	L466 F510 I550 V557 R559 V560 V561	L466-C530 HydrophobicContact CD1-CB 4.32Å; F510-C530 CarbonylContact O-C 3.58Å; F510-C530 WeakPolarHBondContact O-CA 3.19Å; C530-I550 HydrophobicContact CB-CG2 4.4Å; C530-V557 HydrophobicContact CB-CG1 3.78Å; C530-R559 PolarHBondContact N-O 2.95Å; C530-V560 HydrophobicContact CB-CG2 4.23Å; C530-V560 CarbonylContact O-C 3.47Å; C530-V560 WeakPolarHBondContact O-CA 3.18Å; C530-V561 PolarHBondContact O-N 2.92Å
531	G	98.5	Very high	87.2	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	136.9	171.5	0	0	0	0	0	111.5	A509 F510	A509-G531 WeakPolarHBondContact CA-O 3.49Å; F510-G531 PolarHBondContact N-O 3.19Å; F510-G531 PolarHBondContact O-N 3.44Å
532	I	98.6	Very high	88.9	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135.6	172.7	-57.1	177.6	0	0	0	109	N508 A509 L543 L546 I550 V560 V561 Y562 I563	N508-I532 CarbonylContact O-C 3.58Å; N508-I532 VanDerWaalsContact O-CA 3.24Å; N508-I532 WeakPolarHBondContact O-CA 3.41Å; A509-I532 HydrophobicContact CB-CG1 4.18Å; I532-L543 HydrophobicContact CB-CD2 4.42Å; I532-L543 HydrophobicContact CG2-CD2 3.74Å; I532-L546 HydrophobicContact CD1-CB 4.03Å; I532-L546 HydrophobicContact CD1-CD1 4.2Å; I532-I550 HydrophobicContact CD1-CD1 4.01Å; I532-V560 HydrophobicContact CD1-CG1 3.48Å; I532-V560 VanDerWaalsContact CD1-CG1 3.48Å; I532-V560 HydrophobicContact CG1-CG1 3.97Å; I532-V561 PolarHBondContact N-O 3.13Å; I532-Y562 CarbonylContact O-C 3.33Å; I532-Y562 WeakPolarHBondContact O-CA 3.46Å; I532-I563 PolarHBondContact O-N 3.36Å
533	S	98.1	Very high	91.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	153.5	168.1	64.5	0	0	0	0	110.2	L507 N508 V568	L507-S533 WeakPolarHBondContact CA-O 3.37Å; N508-S533 PolarHBondContact N-O 2.87Å; N508-S533 PolarHBondContact O-N 3.36Å; S533-V568 PolarHBondContact OG-N 2.8Å
534	S	96.3	Very high	93.2	Very high	4 Å²	4	43.2 Å²	43.2	3%	0.028	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	157.6	178.7	57.6	0	0	0	0	111.2	D536 Y562	S534-D536 WeakPolarHBondContact CB-O 3.25Å; S534-D536 PolarHBondContact OG-O 2.87Å; S534-Y562 PolarHBondContact OG-OH 2.6Å
535	K	94.1	Very high	94.3	Very high	147 Å²	147	38.9 Å²	38.9	64%	0.639	19%	0.191	S	C	*	.	S	Bend	trans	-76.9	-37.3	169.1	-172.5	179.9	176.1	-171.7	0	112.1	S506 P567	S506-K535 PolarHBondContact O-N 2.92Å; S506-K535 VanDerWaalsContact O-N 3.14Å; K535-P567 HydrophobicContact CB-CG 3.89Å; K535-P567 HydrophobicContact CG-CG 4.25Å
536	D	93.3	Very high	95.1	Very high	77 Å²	77	37.4 Å²	37.4	41%	0.412	18%	0.18	S	C	.	.	S	Bend	trans	-101.1	177.1	-175.5	-43.8	-60.1	0	0	0	110.1	S534	S534-D536 WeakPolarHBondContact CB-O 3.25Å; S534-D536 PolarHBondContact OG-O 2.87Å
537	E	93.2	Very high	95.4	Very high	172 Å²	172	34.6 Å²	34.6	80%	0.804	17%	0.17	S	C	*	.			trans	-57.9	144.4	175.9	-67.4	-177.5	159	0	0	111.5	D539	E537-D539 PolarHBondContact O-N 3.33Å
538	P	94.6	Very high	95.1	Very high	32 Å²	32	40.7 Å²	40.7	21%	0.208	19%	0.191	C	C	.	.			trans	-69.5	119.8	-176.9	25.6	-32.1	0	0	0	111.7	W540 L543 Y562	P538-W540 HydrophobicContact CB-CD2 4.32Å; P538-W540 HydrophobicContact CB-CH2 4.27Å; P538-W540 HydrophobicContact CB-CZ2 3.98Å; P538-W540 HydrophobicContact CG-CH2 4.11Å; P538-W540 HydrophobicContact CG-CZ2 3.49Å; P538-W540 VanDerWaalsContact CG-CZ2 3.49Å; P538-W540 PolarHBondContact O-N 3.45Å; P538-L543 HydrophobicContact CB-CD1 3.57Å; P538-Y562 HydrophobicContact CB-CD1 4.44Å; P538-Y562 HydrophobicContact CB-CE1 3.84Å; P538-Y562 HydrophobicContact CB-CE2 4.07Å; P538-Y562 HydrophobicContact CG-CE1 3.98Å
539	D	96.6	Very high	94.5	Very high	60 Å²	60	40.7 Å²	40.7	32%	0.321	19%	0.191	S	C	.	.			trans	-79.7	102.4	160.7	176.4	7.4	0	0	0	109.7	H505 E537 E541 S542 L543	H505-D539 IonicContact CE1-OD2 3.76Å; E537-D539 PolarHBondContact O-N 3.33Å; D539-E541 PolarHBondContact O-N 2.89Å; D539-E541 PolarHBondContact OD1-N 3.14Å; D539-S542 PolarHBondContact O-N 3.38Å; D539-S542 VanDerWaalsContact OD2-CB 3.22Å; D539-S542 WeakPolarHBondContact OD2-CB 3.46Å; D539-S542 PolarHBondContact OD2-OG 3.02Å; D539-L543 VanDerWaalsContact O-CG 3.28Å; D539-L543 WeakPolarHBondContact O-CG 3.14Å; D539-L543 PolarHBondContact O-N 3.27Å
540	W	97.1	Very high	94.2	Very high	19 Å²	19	40.8 Å²	40.8	7%	0.072	19%	0.191	C	C	.	.	H	α-helix	trans	-65.2	-36	-172	-64.2	107.1	0	0	0	113.7	P538 L543 I544 Y562 F564 T652 P653 Y680 L682	P538-W540 HydrophobicContact CB-CD2 4.32Å; P538-W540 HydrophobicContact CB-CH2 4.27Å; P538-W540 HydrophobicContact CB-CZ2 3.98Å; P538-W540 HydrophobicContact CG-CH2 4.11Å; P538-W540 HydrophobicContact CG-CZ2 3.49Å; P538-W540 VanDerWaalsContact CG-CZ2 3.49Å; P538-W540 PolarHBondContact O-N 3.45Å; W540-L543 HydrophobicContact CE3-CD1 4.09Å; W540-L543 HydrophobicContact CZ3-CD1 4.31Å; W540-L543 PolarHBondContact O-N 3.34Å; W540-I544 WeakPolarHBondContact O-CB 3.3Å; W540-I544 VanDerWaalsContact O-CG1 3.23Å; W540-I544 WeakPolarHBondContact O-CG1 3.32Å; W540-I544 PolarHBondContact O-N 2.91Å; W540-Y562 AromaticContact CH2-CD1 3.9Å; W540-Y562 HydrophobicContact CH2-CD1 3.9Å; W540-Y562 HydrophobicContact CH2-CE1 4.34Å; W540-Y562 HydrophobicContact CZ3-CD1 4.14Å; W540-Y562 HydrophobicContact CZ3-CG 4.45Å; W540-F564 AromaticContact CH2-CE1 3.63Å; W540-F564 HydrophobicContact CH2-CE1 3.63Å; W540-F564 AromaticContact CH2-CZ 3.56Å; W540-F564 HydrophobicContact CH2-CZ 3.56Å; W540-F564 AromaticContact CZ2-CE1 3.94Å; W540-F564 HydrophobicContact CZ2-CE1 3.94Å; W540-F564 HydrophobicContact CZ2-CZ 4.19Å; W540-T652 HydrophobicContact CB-CG2 3.76Å; W540-P653 HydrophobicContact CD2-CB 3.78Å; W540-P653 HydrophobicContact CD2-CG 3.63Å; W540-P653 HydrophobicContact CE3-CB 4.35Å; W540-P653 HydrophobicContact CE3-CG 3.68Å; W540-P653 HydrophobicContact CG-CB 4.06Å; W540-P653 HydrophobicContact CG-CG 4.27Å; W540-P653 HydrophobicContact CH2-CG 3.97Å; W540-P653 HydrophobicContact CZ2-CB 3.99Å; W540-P653 HydrophobicContact CZ2-CG 3.9Å; W540-P653 HydrophobicContact CZ3-CG 3.85Å; W540-Y680 HydrophobicContact CZ3-CD1 4.3Å; W540-Y680 HydrophobicContact CZ3-CG 4.33Å; W540-L682 HydrophobicContact CE3-CD2 4.31Å; W540-L682 HydrophobicContact CZ3-CD2 4.33Å
541	E	93.3	Very high	93.5	Very high	140 Å²	140	41.1 Å²	41.1	65%	0.654	19%	0.194	S	C	*	.	H	α-helix	trans	-69	-40.6	178.9	-68.5	-163.1	172.3	0	0	111.2	D539 I544 F545	D539-E541 PolarHBondContact O-N 2.89Å; D539-E541 PolarHBondContact OD1-N 3.14Å; E541-I544 PolarHBondContact O-N 3.31Å; E541-F545 WeakPolarHBondContact O-CB 3.33Å; E541-F545 PolarHBondContact O-N 3.36Å
542	S	95.4	Very high	92.6	Very high	14 Å²	14	47 Å²	47	10%	0.098	22%	0.216	C	C	.	.	H	α-helix	trans	-62.5	-42.7	173.9	-71.1	0	0	0	0	111.9	I501 D539 F545 L546	I501-S542 WeakPolarHBondContact CG1-OG 3.39Å; D539-S542 PolarHBondContact O-N 3.38Å; D539-S542 VanDerWaalsContact OD2-CB 3.22Å; D539-S542 WeakPolarHBondContact OD2-CB 3.46Å; D539-S542 PolarHBondContact OD2-OG 3.02Å; S542-F545 WeakPolarHBondContact O-CB 3.27Å; S542-F545 PolarHBondContact O-N 3.24Å; S542-L546 WeakPolarHBondContact O-CG 3.45Å; S542-L546 PolarHBondContact O-N 3.31Å
543	L	97.4	Very high	91.9	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-64.7	-41.8	176.4	-72.3	171	0	0	0	112.3	I532 P538 D539 W540 F545 L546 A547 Y562 L682	I532-L543 HydrophobicContact CB-CD2 4.42Å; I532-L543 HydrophobicContact CG2-CD2 3.74Å; P538-L543 HydrophobicContact CB-CD1 3.57Å; D539-L543 VanDerWaalsContact O-CG 3.28Å; D539-L543 WeakPolarHBondContact O-CG 3.14Å; D539-L543 PolarHBondContact O-N 3.27Å; W540-L543 HydrophobicContact CE3-CD1 4.09Å; W540-L543 HydrophobicContact CZ3-CD1 4.31Å; W540-L543 PolarHBondContact O-N 3.34Å; L543-F545 VanDerWaalsContact C-N 3.33Å; L543-L546 PolarHBondContact O-N 3.44Å; L543-A547 WeakPolarHBondContact O-CB 3.43Å; L543-A547 PolarHBondContact O-N 3.02Å; L543-Y562 HydrophobicContact CD1-CD2 3.52Å; L543-Y562 HydrophobicContact CD1-CE2 3.95Å; L543-Y562 HydrophobicContact CD1-CG 3.86Å; L543-Y562 HydrophobicContact CD2-CD2 3.83Å; L543-Y562 HydrophobicContact CD2-CE2 4.42Å; L543-Y562 HydrophobicContact CG-CD2 4.35Å; L543-L682 HydrophobicContact CB-CD1 3.85Å; L543-L682 HydrophobicContact CB-CD2 4.33Å
544	I	92.1	Very high	91.3	Very high	13 Å²	13	48.8 Å²	48.8	7%	0.067	23%	0.226	C	C	.	.	H	α-helix	trans	-65.2	-37.9	175.3	-69.8	-71.4	0	0	0	111.2	W540 E541 A547 R548 P650 T652 L682	W540-I544 WeakPolarHBondContact O-CB 3.3Å; W540-I544 VanDerWaalsContact O-CG1 3.23Å; W540-I544 WeakPolarHBondContact O-CG1 3.32Å; W540-I544 PolarHBondContact O-N 2.91Å; E541-I544 PolarHBondContact O-N 3.31Å; I544-A547 PolarHBondContact O-N 3.34Å; I544-R548 PolarHBondContact O-N 2.97Å; I544-P650 HydrophobicContact CD1-CG 3.54Å; I544-T652 HydrophobicContact CG1-CG2 4.17Å; I544-L682 HydrophobicContact CD1-CB 4.09Å; I544-L682 HydrophobicContact CD1-CD2 3.82Å; I544-L682 HydrophobicContact CG1-CD2 4.33Å
545	F	92.2	Very high	90.6	Very high	23 Å²	23	54.7 Å²	54.7	10%	0.101	25%	0.252	C	S	.	.	H	α-helix	trans	-60.1	-48.8	172.5	168.8	-98.9	0	0	0	111.5	D494 K497 I501 E541 S542 L543 A547 R548 L549	D494-F545 HydrophobicContact CB-CZ 4.33Å; D494-F545 WeakPolarHBondContact OD1-CE2 3.4Å; K497-F545 HydrophobicContact CB-CE1 4.32Å; K497-F545 HydrophobicContact CB-CE2 4.44Å; K497-F545 HydrophobicContact CB-CZ 4.01Å; K497-F545 HydrophobicContact CD-CD1 4.43Å; K497-F545 HydrophobicContact CD-CD2 3.76Å; K497-F545 HydrophobicContact CD-CE1 4.42Å; K497-F545 HydrophobicContact CD-CE2 3.76Å; K497-F545 HydrophobicContact CD-CG 4.1Å; K497-F545 HydrophobicContact CD-CZ 4.09Å; K497-F545 HydrophobicContact CG-CD1 4.32Å; K497-F545 HydrophobicContact CG-CD2 4.46Å; K497-F545 HydrophobicContact CG-CE1 4.1Å; K497-F545 HydrophobicContact CG-CE2 4.26Å; K497-F545 HydrophobicContact CG-CG 4.47Å; K497-F545 HydrophobicContact CG-CZ 4.07Å; I501-F545 HydrophobicContact CD1-CB 4.43Å; I501-F545 HydrophobicContact CD1-CD1 3.35Å; I501-F545 HydrophobicContact CD1-CE1 3.9Å; I501-F545 HydrophobicContact CD1-CG 4.16Å; E541-F545 WeakPolarHBondContact O-CB 3.33Å; E541-F545 PolarHBondContact O-N 3.36Å; S542-F545 WeakPolarHBondContact O-CB 3.27Å; S542-F545 PolarHBondContact O-N 3.24Å; L543-F545 VanDerWaalsContact C-N 3.33Å; F545-A547 VanDerWaalsContact C-N 3.27Å; F545-A547 PolarHBondContact O-N 3.37Å; F545-R548 PolarHBondContact O-N 3.01Å; F545-R548 VanDerWaalsContact O-N 3.09Å; F545-L549 HydrophobicContact CE1-CD2 3.88Å; F545-L549 HydrophobicContact CZ-CD2 4.04Å; F545-L549 WeakPolarHBondContact O-CB 3.23Å; F545-L549 PolarHBondContact O-N 3.49Å
546	L	94.4	Very high	90.3	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-60.2	-37.9	176.3	-69.2	175.5	0	0	0	112	V469 L498 I501 L507 I532 S542 L543 R548 L549 I550	V469-L546 HydrophobicContact CG1-CD2 4.18Å; L498-L546 HydrophobicContact CD1-CD2 3.46Å; L498-L546 VanDerWaalsContact CD1-CD2 3.46Å; I501-L546 HydrophobicContact CG2-CD1 4.38Å; L507-L546 HydrophobicContact CD1-CD1 3.62Å; I532-L546 HydrophobicContact CD1-CB 4.03Å; I532-L546 HydrophobicContact CD1-CD1 4.2Å; S542-L546 WeakPolarHBondContact O-CG 3.45Å; S542-L546 PolarHBondContact O-N 3.31Å; L543-L546 PolarHBondContact O-N 3.44Å; L546-R548 PolarHBondContact O-N 2.93Å; L546-L549 PolarHBondContact O-N 3.47Å; L546-I550 HydrophobicContact CB-CD1 4.45Å; L546-I550 WeakPolarHBondContact O-CB 3.45Å; L546-I550 WeakPolarHBondContact O-CG1 3.35Å; L546-I550 PolarHBondContact O-N 3.39Å
547	A	92.9	Very high	90.3	Very high	3 Å²	3	45.6 Å²	45.6	3%	0.025	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-23.8	177.6	0	0	0	0	0	113.9	L543 I544 F545 P551 V560 L682	L543-A547 WeakPolarHBondContact O-CB 3.43Å; L543-A547 PolarHBondContact O-N 3.02Å; I544-A547 PolarHBondContact O-N 3.34Å; F545-A547 VanDerWaalsContact C-N 3.27Å; F545-A547 PolarHBondContact O-N 3.37Å; A547-P551 WeakPolarHBondContact O-CD 3.36Å; A547-P551 VanDerWaalsContact O-CG 3.3Å; A547-P551 WeakPolarHBondContact O-CG 2.99Å; A547-V560 HydrophobicContact CB-CB 3.84Å; A547-V560 HydrophobicContact CB-CG1 4.11Å; A547-V560 HydrophobicContact CB-CG2 4.42Å; A547-L682 HydrophobicContact CB-CB 3.41Å; A547-L682 VanDerWaalsContact CB-CB 3.41Å; A547-L682 HydrophobicContact CB-CD1 4.31Å; A547-L682 WeakPolarHBondContact CB-O 3.41Å
548	R	84.1	Confident	90.2	Very high	140 Å²	140	37.4 Å²	37.4	53%	0.528	17%	0.173	S	C	.	.	H	α-helix	trans	-88.9	-34.6	171.2	-64.2	177.8	-171.3	174	5	112.4	I544 F545 L546 R552	I544-R548 PolarHBondContact O-N 2.97Å; F545-R548 PolarHBondContact O-N 3.01Å; F545-R548 VanDerWaalsContact O-N 3.09Å; L546-R548 PolarHBondContact O-N 2.93Å; R548-R552 WeakPolarHBondContact O-CG 3.18Å; R548-R552 PolarHBondContact O-NE 3.02Å
549	L	85.8	Confident	90.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-71.2	-48.1	-177.6	-178.2	64.5	0	0	0	112.1	T490 D494 L498 F545 L546 R552 M553	T490-L549 HydrophobicContact CG2-CD1 3.98Å; D494-L549 HydrophobicContact CB-CD1 4.24Å; L498-L549 HydrophobicContact CD1-CD2 4.15Å; L498-L549 HydrophobicContact CD2-CD2 4.16Å; F545-L549 HydrophobicContact CE1-CD2 3.88Å; F545-L549 HydrophobicContact CZ-CD2 4.04Å; F545-L549 WeakPolarHBondContact O-CB 3.23Å; F545-L549 PolarHBondContact O-N 3.49Å; L546-L549 PolarHBondContact O-N 3.47Å; L549-R552 VanDerWaalsContact CD1-NH2 3.32Å; L549-R552 WeakPolarHBondContact O-CB 3.31Å; L549-R552 PolarHBondContact O-N 3.1Å; L549-R552 VanDerWaalsContact O-N 3.13Å; L549-M553 HydrophobicContact CD1-CG 4.38Å; L549-M553 HydrophobicContact CD1-SD 4.13Å; L549-M553 HydrophobicContact CD2-SD 4.37Å; L549-M553 HydrophobicContact CG-SD 3.89Å; L549-M553 PolarHBondContact O-N 3.13Å; L549-M553 VanDerWaalsContact O-N 3.11Å
550	I	91.4	Very high	90.4	Very high	2 Å²	2	33 Å²	33	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-58.6	-49.1	-174.8	-71.5	163.8	0	0	0	111.8	L466 V469 C530 I532 L546 R552 M553 C554 V557 V560	L466-I550 HydrophobicContact CD2-CB 4.45Å; L466-I550 HydrophobicContact CD2-CD1 4.13Å; L466-I550 HydrophobicContact CD2-CG1 4.08Å; L466-I550 HydrophobicContact CD2-CG2 3.56Å; V469-I550 HydrophobicContact CG1-CG1 4.26Å; C530-I550 HydrophobicContact CB-CG2 4.4Å; I532-I550 HydrophobicContact CD1-CD1 4.01Å; L546-I550 HydrophobicContact CB-CD1 4.45Å; L546-I550 WeakPolarHBondContact O-CB 3.45Å; L546-I550 WeakPolarHBondContact O-CG1 3.35Å; L546-I550 PolarHBondContact O-N 3.39Å; I550-R552 VanDerWaalsContact C-N 3.3Å; I550-R552 PolarHBondContact O-N 3.04Å; I550-M553 PolarHBondContact O-N 2.86Å; I550-M553 VanDerWaalsContact O-N 3.11Å; I550-C554 WeakPolarHBondContact O-CB 3.19Å; I550-C554 PolarHBondContact O-N 3.23Å; I550-V557 HydrophobicContact CG2-CB 4.42Å; I550-V557 HydrophobicContact CG2-CG1 4.12Å; I550-V560 HydrophobicContact CB-CG2 4.04Å; I550-V560 HydrophobicContact CD1-CG1 4.27Å; I550-V560 HydrophobicContact CD1-CG2 4.38Å; I550-V560 HydrophobicContact CG2-CG2 4.08Å
551	P	84.7	Confident	90.5	Very high	8 Å²	8	32.1 Å²	32.1	5%	0.052	14%	0.144	C	C	.	.	H	α-helix	trans	-68.2	-24.8	178.5	-23.5	36.6	0	0	0	114.4	A547 M553 C554 H555 V560 P687	A547-P551 WeakPolarHBondContact O-CD 3.36Å; A547-P551 VanDerWaalsContact O-CG 3.3Å; A547-P551 WeakPolarHBondContact O-CG 2.99Å; P551-M553 VanDerWaalsContact C-N 3.33Å; P551-C554 CarbonylContact O-C 3.27Å; P551-H555 PolarHBondContact O-CD2 3.24Å; P551-H555 VanDerWaalsContact O-CD2 3.31Å; P551-V560 HydrophobicContact CG-CG2 4.01Å; P551-P687 HydrophobicContact CB-CB 4.47Å; P551-P687 HydrophobicContact CB-CG 3.59Å; P551-P687 HydrophobicContact CG-CG 3.96Å
552	R	79.7	Confident	90.7	Very high	122 Å²	122	25.8 Å²	25.8	46%	0.46	11%	0.114	S	C	.	.	H	α-helix	trans	-67.1	-35.6	170.9	-76.6	-171.4	-67.1	145.3	-8.2	111.7	D494 R548 L549 I550 H555	D494-R552 VanDerWaalsContact CG-NH2 3.34Å; D494-R552 IonicContact OD1-CZ 3.35Å; D494-R552 IonicContact OD1-NH1 2.87Å; D494-R552 IonicContact OD1-NH2 2.67Å; D494-R552 PolarHBondContact OD1-NH2 3.34Å; D494-R552 IonicContact OD2-CZ 3.56Å; D494-R552 IonicContact OD2-NH1 2.71Å; D494-R552 PolarHBondContact OD2-NH1 3.3Å; D494-R552 IonicContact OD2-NH2 3.79Å; D494-R552 PolarHBondContact OD2-NH2 3Å; R548-R552 WeakPolarHBondContact O-CG 3.18Å; R548-R552 PolarHBondContact O-NE 3.02Å; L549-R552 VanDerWaalsContact CD1-NH2 3.32Å; L549-R552 WeakPolarHBondContact O-CB 3.31Å; L549-R552 PolarHBondContact O-N 3.1Å; L549-R552 VanDerWaalsContact O-N 3.13Å; I550-R552 VanDerWaalsContact C-N 3.3Å; I550-R552 PolarHBondContact O-N 3.04Å; R552-H555 PolarHBondContact O-NE2 3.46Å
553	M	82.8	Confident	90.9	Very high	33 Å²	33	25.1 Å²	25.1	16%	0.163	11%	0.109	C	C	.	.	H	α-helix	trans	-82.3	-36.2	178.9	-65.7	174	57.5	0	0	112.6	I465 V469 V486 T490 L549 I550 P551	I465-M553 HydrophobicContact CG2-CE 4.05Å; V469-M553 HydrophobicContact CG2-CE 3.61Å; V469-M553 HydrophobicContact CG2-SD 4.03Å; V486-M553 HydrophobicContact CB-CE 4.09Å; V486-M553 HydrophobicContact CG1-CE 3.66Å; V486-M553 HydrophobicContact CG2-CE 3.86Å; T490-M553 HydrophobicContact CG2-CE 4.32Å; T490-M553 HydrophobicContact CG2-CG 4.08Å; T490-M553 HydrophobicContact CG2-SD 3.65Å; L549-M553 HydrophobicContact CD1-CG 4.38Å; L549-M553 HydrophobicContact CD1-SD 4.13Å; L549-M553 HydrophobicContact CD2-SD 4.37Å; L549-M553 HydrophobicContact CG-SD 3.89Å; L549-M553 PolarHBondContact O-N 3.13Å; L549-M553 VanDerWaalsContact O-N 3.11Å; I550-M553 PolarHBondContact O-N 2.86Å; I550-M553 VanDerWaalsContact O-N 3.11Å; P551-M553 VanDerWaalsContact C-N 3.33Å
554	C	85.4	Confident	90.9	Very high	8 Å²	8	25.6 Å²	25.6	5%	0.054	11%	0.111	C	C	.	.			trans	-126.2	88.4	-171.4	-62.1	0	0	0	0	109.5	T462 I550 P551 N556 V557	T462-C554 HydrophobicContact CG2-CB 4.5Å; I550-C554 WeakPolarHBondContact O-CB 3.19Å; I550-C554 PolarHBondContact O-N 3.23Å; P551-C554 CarbonylContact O-C 3.27Å; C554-N556 WeakPolarHBondContact CB-OD1 3.44Å; C554-N556 PolarHBondContact O-N 3.09Å; C554-N556 VanDerWaalsContact O-N 3.14Å; C554-V557 HydrophobicContact CB-CB 4.35Å; C554-V557 HydrophobicContact CB-CG2 3.84Å; C554-V557 WeakPolarHBondContact O-CB 3.47Å; C554-V557 PolarHBondContact O-N 2.89Å
555	H	82.1	Confident	91.1	Very high	127 Å²	127	27.1 Å²	27.1	59%	0.588	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-14.5	-179.5	-65.4	-173.7	0	0	0	113.4	Q520 P551 R552 V557	Q520-H555 PolarHBondContact NE2-O 2.65Å; Q520-H555 PolarHBondContact OE1-O 2.68Å; P551-H555 PolarHBondContact O-CD2 3.24Å; P551-H555 VanDerWaalsContact O-CD2 3.31Å; R552-H555 PolarHBondContact O-NE2 3.46Å; H555-V557 PolarHBondContact O-N 3.15Å
556	N	88.1	Confident	91.3	Very high	34 Å²	34	30.1 Å²	30.1	18%	0.182	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	4.7	168.8	65.3	-20.4	0	0	0	113.2	D458 T462 S527 Y528 C554	D458-N556 PolarHBondContact OD2-ND2 3.02Å; T462-N556 PolarHBondContact OG1-ND2 2.83Å; S527-N556 WeakPolarHBondContact CB-O 3.24Å; S527-N556 PolarHBondContact OG-O 3.07Å; Y528-N556 HydrophobicContact CD2-CB 4.42Å; Y528-N556 VanDerWaalsContact CD2-O 3.25Å; Y528-N556 WeakPolarHBondContact CD2-O 3.43Å; Y528-N556 PolarHBondContact N-O 2.86Å; C554-N556 WeakPolarHBondContact CB-OD1 3.44Å; C554-N556 PolarHBondContact O-N 3.09Å; C554-N556 VanDerWaalsContact O-N 3.14Å
557	V	92.2	Very high	91.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	115.2	174.7	-179.5	0	0	0	0	109.1	T462 L511 C530 I550 C554 H555 R559 V560	T462-V557 HydrophobicContact CG2-CG2 4.12Å; L511-V557 HydrophobicContact CD2-CG2 3.82Å; C530-V557 HydrophobicContact CB-CG1 3.78Å; I550-V557 HydrophobicContact CG2-CB 4.42Å; I550-V557 HydrophobicContact CG2-CG1 4.12Å; C554-V557 HydrophobicContact CB-CB 4.35Å; C554-V557 HydrophobicContact CB-CG2 3.84Å; C554-V557 WeakPolarHBondContact O-CB 3.47Å; C554-V557 PolarHBondContact O-N 2.89Å; H555-V557 PolarHBondContact O-N 3.15Å; V557-R559 VanDerWaalsContact CG1-O 3.28Å; V557-R559 WeakPolarHBondContact CG1-O 3.28Å; V557-V560 HydrophobicContact CG1-CG2 4.48Å
558	N	91.3	Very high	91.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-28.4	-179.5	-78.6	-8.3	0	0	0	112.9	T516 G518 Q520 S525 S527 Y528 T683	T516-N558 HydrophobicContact CG2-CB 3.84Å; T516-N558 PolarHBondContact O-ND2 3.35Å; G518-N558 PolarHBondContact N-ND2 3.25Å; G518-N558 VanDerWaalsContact N-ND2 3.16Å; Q520-N558 PolarHBondContact NE2-OD1 3Å; S525-N558 PolarHBondContact O-ND2 2.73Å; S527-N558 PolarHBondContact N-ND2 3.41Å; Y528-N558 PolarHBondContact O-N 3.34Å; N558-T683 WeakPolarHBondContact O-CG2 3.14Å
559	R	97.1	Very high	91.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	153.1	-176.3	-68	-173.3	-171.1	-89.8	-9	113	T516 V517 V529 C530 V557 D681 T683 T689 E691 W692	T516-R559 HydrophobicContact CG2-CB 4.08Å; T516-R559 HydrophobicContact CG2-CG 3.71Å; T516-R559 WeakPolarHBondContact OG1-CD 3.42Å; T516-R559 PolarHBondContact OG1-NE 3.46Å; V517-R559 PolarHBondContact O-NH2 3.11Å; V529-R559 HydrophobicContact CG1-CB 4.33Å; V529-R559 HydrophobicContact CG2-CB 4.44Å; C530-R559 PolarHBondContact N-O 2.95Å; V557-R559 VanDerWaalsContact CG1-O 3.28Å; V557-R559 WeakPolarHBondContact CG1-O 3.28Å; R559-D681 IonicContact CZ-OD2 3.6Å; R559-D681 IonicContact NH1-OD2 3.62Å; R559-D681 PolarHBondContact NH1-OD2 3.01Å; R559-T683 VanDerWaalsContact CA-OG1 3.3Å; R559-T683 WeakPolarHBondContact CA-OG1 3.06Å; R559-T683 WeakPolarHBondContact CB-OG1 3.34Å; R559-T683 HydrophobicContact CG-CG2 4.3Å; R559-T689 PolarHBondContact NH1-O 2.99Å; R559-T689 PolarHBondContact NH2-O 3.08Å; R559-T689 PolarHBondContact NH2-OG1 3.12Å; R559-E691 PolarHBondContact NH2-O 3.11Å; R559-W692 VanDerWaalsContact CD-CE2 3.45Å; R559-W692 VanDerWaalsContact CZ-CD1 3.48Å
560	V	98.4	Very high	92.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	130.3	170.7	-174.6	0	0	0	0	108.6	C530 I532 A547 I550 P551 V557 L682 T683	C530-V560 HydrophobicContact CB-CG2 4.23Å; C530-V560 CarbonylContact O-C 3.47Å; C530-V560 WeakPolarHBondContact O-CA 3.18Å; I532-V560 HydrophobicContact CD1-CG1 3.48Å; I532-V560 VanDerWaalsContact CD1-CG1 3.48Å; I532-V560 HydrophobicContact CG1-CG1 3.97Å; A547-V560 HydrophobicContact CB-CB 3.84Å; A547-V560 HydrophobicContact CB-CG1 4.11Å; A547-V560 HydrophobicContact CB-CG2 4.42Å; I550-V560 HydrophobicContact CB-CG2 4.04Å; I550-V560 HydrophobicContact CD1-CG1 4.27Å; I550-V560 HydrophobicContact CD1-CG2 4.38Å; I550-V560 HydrophobicContact CG2-CG2 4.08Å; P551-V560 HydrophobicContact CG-CG2 4.01Å; V557-V560 HydrophobicContact CG1-CG2 4.48Å; V560-L682 HydrophobicContact CG1-CD1 4.48Å; V560-L682 WeakPolarHBondContact O-CB 3.49Å; V560-L682 PolarHBondContact O-N 3.24Å; V560-T683 PolarHBondContact N-OG1 2.83Å; V560-T683 PolarHBondContact O-OG1 3.35Å
561	V	98.8	Very high	92.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.5	179.2	-55.9	0	0	0	0	111.3	L512 V529 C530 I532 I563 M679 Y680 D681 W692	L512-V561 HydrophobicContact CD1-CG2 4.16Å; V529-V561 HydrophobicContact CG1-CG1 3.92Å; V529-V561 HydrophobicContact CG1-CG2 4.01Å; C530-V561 PolarHBondContact O-N 2.92Å; I532-V561 PolarHBondContact N-O 3.13Å; V561-I563 HydrophobicContact CG2-CG1 4.38Å; V561-M679 HydrophobicContact CB-CB 4.36Å; V561-M679 HydrophobicContact CG2-CB 4.33Å; V561-M679 HydrophobicContact CG2-CG 4.38Å; V561-M679 HydrophobicContact CG2-SD 3.92Å; V561-Y680 CarbonylContact C-O 3.51Å; V561-Y680 WeakPolarHBondContact CA-O 3.16Å; V561-Y680 WeakPolarHBondContact CB-O 3.23Å; V561-D681 HydrophobicContact CG1-CB 4.45Å; V561-W692 HydrophobicContact CG1-CH2 3.72Å; V561-W692 HydrophobicContact CG1-CZ2 3.54Å
562	Y	98.8	Very high	92.8	Very high	7 Å²	7	41.9 Å²	41.9	3%	0.027	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	133.6	165.5	-179.4	-107.2	0	0	0	110.2	I532 S534 P538 W540 L543 F564 M679 Y680	I532-Y562 CarbonylContact O-C 3.33Å; I532-Y562 WeakPolarHBondContact O-CA 3.46Å; S534-Y562 PolarHBondContact OG-OH 2.6Å; P538-Y562 HydrophobicContact CB-CD1 4.44Å; P538-Y562 HydrophobicContact CB-CE1 3.84Å; P538-Y562 HydrophobicContact CB-CE2 4.07Å; P538-Y562 HydrophobicContact CG-CE1 3.98Å; W540-Y562 AromaticContact CH2-CD1 3.9Å; W540-Y562 HydrophobicContact CH2-CD1 3.9Å; W540-Y562 HydrophobicContact CH2-CE1 4.34Å; W540-Y562 HydrophobicContact CZ3-CD1 4.14Å; W540-Y562 HydrophobicContact CZ3-CG 4.45Å; L543-Y562 HydrophobicContact CD1-CD2 3.52Å; L543-Y562 HydrophobicContact CD1-CE2 3.95Å; L543-Y562 HydrophobicContact CD1-CG 3.86Å; L543-Y562 HydrophobicContact CD2-CD2 3.83Å; L543-Y562 HydrophobicContact CD2-CE2 4.42Å; L543-Y562 HydrophobicContact CG-CD2 4.35Å; Y562-F564 HydrophobicContact CD1-CD1 4.06Å; Y562-F564 HydrophobicContact CD1-CD2 4.48Å; Y562-F564 HydrophobicContact CD1-CE1 4.07Å; Y562-F564 HydrophobicContact CD1-CG 4.27Å; Y562-F564 HydrophobicContact CD1-CZ 4.31Å; Y562-F564 AromaticContact CE1-CD1 3.67Å; Y562-F564 HydrophobicContact CE1-CD1 3.67Å; Y562-F564 AromaticContact CE1-CE1 3.95Å; Y562-F564 HydrophobicContact CE1-CE1 3.95Å; Y562-F564 HydrophobicContact CE1-CG 4.12Å; Y562-M679 CarbonylContact O-C 3.5Å; Y562-M679 WeakPolarHBondContact O-CA 3.19Å; Y562-Y680 PolarHBondContact N-O 3.31Å; Y562-Y680 PolarHBondContact O-N 3.44Å
563	I	98.8	Very high	93.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	112.5	-179.2	-53.7	166.6	0	0	0	108.4	F510 I532 V561 V568 F620 R677 M679	F510-I563 HydrophobicContact CE2-CD1 3.78Å; F510-I563 HydrophobicContact CZ-CD1 3.6Å; I532-I563 PolarHBondContact O-N 3.36Å; V561-I563 HydrophobicContact CG2-CG1 4.38Å; I563-V568 HydrophobicContact CD1-CG2 4.37Å; I563-V568 HydrophobicContact CG2-CG2 4.16Å; I563-F620 HydrophobicContact CD1-CE1 4.05Å; I563-F620 HydrophobicContact CD1-CZ 4.18Å; I563-R677 HydrophobicContact CG2-CB 4.05Å; I563-R677 HydrophobicContact CG2-CG 4.14Å; I563-M679 HydrophobicContact CB-CG 4.36Å; I563-M679 HydrophobicContact CG1-CG 3.93Å; I563-M679 HydrophobicContact CG1-SD 4.14Å; I563-M679 HydrophobicContact CG2-CG 4.3Å
564	F	98.4	Very high	94.2	Very high	15 Å²	15	41.3 Å²	41.3	7%	0.066	23%	0.226	C	C	.	.			trans	-70.3	146.6	-178.8	-69.1	-82.6	0	0	0	112.8	W540 Y562 V662 L663 V666 R677 I678 Y680	W540-F564 AromaticContact CH2-CE1 3.63Å; W540-F564 HydrophobicContact CH2-CE1 3.63Å; W540-F564 AromaticContact CH2-CZ 3.56Å; W540-F564 HydrophobicContact CH2-CZ 3.56Å; W540-F564 AromaticContact CZ2-CE1 3.94Å; W540-F564 HydrophobicContact CZ2-CE1 3.94Å; W540-F564 HydrophobicContact CZ2-CZ 4.19Å; Y562-F564 HydrophobicContact CD1-CD1 4.06Å; Y562-F564 HydrophobicContact CD1-CD2 4.48Å; Y562-F564 HydrophobicContact CD1-CE1 4.07Å; Y562-F564 HydrophobicContact CD1-CG 4.27Å; Y562-F564 HydrophobicContact CD1-CZ 4.31Å; Y562-F564 AromaticContact CE1-CD1 3.67Å; Y562-F564 HydrophobicContact CE1-CD1 3.67Å; Y562-F564 AromaticContact CE1-CE1 3.95Å; Y562-F564 HydrophobicContact CE1-CE1 3.95Å; Y562-F564 HydrophobicContact CE1-CG 4.12Å; F564-V662 HydrophobicContact CE2-CG1 4.39Å; F564-V662 HydrophobicContact CZ-CG1 3.71Å; F564-L663 HydrophobicContact CD1-CD2 4.27Å; F564-L663 HydrophobicContact CE1-CD2 3.97Å; F564-V666 HydrophobicContact CB-CG1 3.97Å; F564-V666 HydrophobicContact CB-CG2 4.45Å; F564-V666 HydrophobicContact CD1-CG2 4Å; F564-V666 HydrophobicContact CD2-CG1 4.42Å; F564-V666 HydrophobicContact CD2-CG2 3.43Å; F564-V666 VanDerWaalsContact CD2-CG2 3.43Å; F564-V666 HydrophobicContact CE1-CG2 4.01Å; F564-V666 HydrophobicContact CE2-CG2 3.42Å; F564-V666 VanDerWaalsContact CE2-CG2 3.42Å; F564-V666 HydrophobicContact CG-CG1 4.1Å; F564-V666 HydrophobicContact CG-CG2 3.72Å; F564-V666 HydrophobicContact CZ-CG2 3.73Å; F564-R677 VanDerWaalsContact O-CD 3.3Å; F564-R677 WeakPolarHBondContact O-CD 3.5Å; F564-R677 PolarHBondContact O-NH1 3.1Å; F564-I678 HydrophobicContact CD2-CB 4.21Å; F564-I678 HydrophobicContact CD2-CG2 4.22Å; F564-I678 WeakPolarHBondContact CD2-O 3.34Å; F564-I678 PolarHBondContact N-O 3.39Å; F564-Y680 HydrophobicContact CE2-CD2 4.32Å; F564-Y680 HydrophobicContact CZ-CD2 4.31Å
565	G	95.9	Very high	94.8	Very high	44 Å²	44	41.4 Å²	41.4	45%	0.454	23%	0.227	S	C	.	.	S	Bend	trans	107	-164.1	177.3	0	0	0	0	0	112.3
566	P	95.5	Very high	95.6	Very high	87 Å²	87	35.5 Å²	35.5	57%	0.565	20%	0.2	S	C	*	.	S	Bend	trans	-65.9	160.9	-177.3	26.3	-33	0	0	0	112.3	V568 R677	P566-V568 PolarHBondContact O-N 2.92Å; P566-R677 PolarHBondContact O-NH1 2.89Å; P566-R677 PolarHBondContact O-NH2 2.95Å
567	P	95.9	Very high	96.1	Very high	37 Å²	37	37 Å²	37	24%	0.24	21%	0.211	C	C	.	.			trans	-49.3	130.8	178.7	-29.7	34.4	0	0	0	113	K535 K569	K535-P567 HydrophobicContact CB-CG 3.89Å; K535-P567 HydrophobicContact CG-CG 4.25Å; P567-K569 PolarHBondContact O-N 3.34Å; P567-K569 VanDerWaalsContact O-N 3.13Å
568	V	96.4	Very high	96.4	Very high	3 Å²	3	37 Å²	37	2%	0.018	21%	0.211	C	C	.	.			trans	-80.4	95.8	173.1	-179.5	0	0	0	0	107.8	F510 S533 I563 P566 P571 F620	F510-V568 HydrophobicContact CE1-CB 3.78Å; F510-V568 HydrophobicContact CE1-CG1 3.94Å; F510-V568 HydrophobicContact CE2-CG1 4.25Å; F510-V568 HydrophobicContact CZ-CB 3.54Å; F510-V568 HydrophobicContact CZ-CG1 3.49Å; F510-V568 VanDerWaalsContact CZ-CG1 3.49Å; F510-V568 HydrophobicContact CZ-CG2 4.1Å; S533-V568 PolarHBondContact OG-N 2.8Å; I563-V568 HydrophobicContact CD1-CG2 4.37Å; I563-V568 HydrophobicContact CG2-CG2 4.16Å; P566-V568 PolarHBondContact O-N 2.92Å; V568-P571 HydrophobicContact CG1-CB 4.48Å; V568-F620 HydrophobicContact CG1-CD1 3.92Å; V568-F620 HydrophobicContact CG1-CE1 4.38Å; V568-F620 HydrophobicContact CG2-CD1 4.19Å
569	K	91.4	Very high	96.8	Very high	189 Å²	189	39 Å²	39	82%	0.822	22%	0.22	S	C	*	.	S	Bend	trans	-69.2	-42.9	-178.7	-63.5	-178.7	-178.6	177.5	0	112.1	P567	P567-K569 PolarHBondContact O-N 3.34Å; P567-K569 VanDerWaalsContact O-N 3.13Å
570	E	93.1	Very high	96.8	Very high	120 Å²	120	39 Å²	39	56%	0.561	22%	0.22	S	C	*	.	S	Bend	trans	-125.3	102.2	-177.8	-64.1	-160	-158.1	0	0	109.4	P624	E570-P624 WeakPolarHBondContact OE2-CB 3.49Å; E570-P624 WeakPolarHBondContact OE2-CG 3.48Å
571	P	94.9	Very high	96.8	Very high	44 Å²	44	42 Å²	42	29%	0.286	24%	0.239	S	C	.	.			trans	-69.4	140.3	180	29.2	-34.4	0	0	0	110.5	F510 V568 T573	F510-P571 HydrophobicContact CB-CB 4.18Å; F510-P571 HydrophobicContact CB-CG 4.02Å; F510-P571 HydrophobicContact CD1-CB 4.14Å; F510-P571 HydrophobicContact CD1-CG 4.32Å; F510-P571 HydrophobicContact CD2-CB 3.32Å; F510-P571 HydrophobicContact CD2-CG 4.11Å; F510-P571 HydrophobicContact CE1-CB 4.4Å; F510-P571 HydrophobicContact CE2-CB 3.63Å; F510-P571 HydrophobicContact CG-CB 3.61Å; F510-P571 HydrophobicContact CG-CG 3.89Å; F510-P571 HydrophobicContact CZ-CB 4.17Å; V568-P571 HydrophobicContact CG1-CB 4.48Å; P571-T573 PolarHBondContact O-N 3.1Å
572	P	94.9	Very high	96.7	Very high	9 Å²	9	45.9 Å²	45.9	6%	0.058	26%	0.262	C	S	.	.			trans	-65.5	133.9	-180	27.9	-34.6	0	0	0	110.8	P513 L618 F620	P513-P572 VanDerWaalsContact CD-O 3.29Å; P513-P572 WeakPolarHBondContact CD-O 3.41Å; P513-P572 WeakPolarHBondContact CG-O 3.33Å; P572-L618 HydrophobicContact CG-CD2 4.33Å; P572-F620 HydrophobicContact CG-CD1 3.98Å; P572-F620 HydrophobicContact CG-CE1 3.89Å; P572-F620 HydrophobicContact CG-CZ 4.39Å
573	T	94.9	Very high	96.7	Very high	88 Å²	88	47.6 Å²	47.6	54%	0.54	28%	0.282	S	S	.	.	S	Bend	trans	-103.7	-4.7	174.1	58.9	0	0	0	0	112.8	P453 P571	P453-T573 WeakPolarHBondContact CB-O 3.28Å; P571-T573 PolarHBondContact O-N 3.1Å
574	D	96.8	Very high	96.6	Very high	55 Å²	55	48 Å²	48	29%	0.294	29%	0.285	S	S	.	.	S	Bend	trans	-111.5	168	173	64.7	-15.9	0	0	0	110.5	R622 S630	D574-R622 IonicContact OD1-CZ 3.68Å; D574-R622 IonicContact OD1-NH1 2.75Å; D574-R622 PolarHBondContact OD1-NH1 2.86Å; D574-R622 IonicContact OD1-NH2 3.74Å; D574-R622 PolarHBondContact OD1-NH2 2.95Å; D574-R622 IonicContact OD2-CZ 2.65Å; D574-R622 IonicContact OD2-NH1 2.74Å; D574-R622 PolarHBondContact OD2-NH1 3.21Å; D574-R622 IonicContact OD2-NH2 3.58Å; D574-S630 WeakPolarHBondContact OD2-CB 3.46Å
575	V	98.2	Very high	96.6	Very high	10 Å²	10	47.3 Å²	47.3	6%	0.061	28%	0.282	C	S	.	.			trans	-124.3	151.8	178.8	-66.5	0	0	0	0	110.1	A450 E452 P453 P513 I514 P577 P617 L618	A450-V575 HydrophobicContact CB-CG2 4.15Å; E452-V575 VanDerWaalsContact C-CG2 3.49Å; P453-V575 HydrophobicContact CB-CG1 4.18Å; P453-V575 HydrophobicContact CB-CG2 4.48Å; P513-V575 HydrophobicContact CG-CG1 4.08Å; I514-V575 HydrophobicContact CG2-CG1 4.24Å; V575-P577 WeakPolarHBondContact O-CD 3.24Å; V575-P617 CarbonylContact C-O 3.6Å; V575-P617 WeakPolarHBondContact CA-O 3.2Å; V575-P617 HydrophobicContact CB-CB 4.19Å; V575-P617 HydrophobicContact CB-CG 4.3Å; V575-P617 HydrophobicContact CG1-CG 4.31Å; V575-L618 HydrophobicContact CG1-CD2 4.48Å
576	T	98.6	Very high	96.7	Very high	4 Å²	4	48.3 Å²	48.3	3%	0.025	28%	0.282	C	S	.	.			trans	-78.9	118.7	168	-67.8	0	0	0	0	108.2	T578 P617 S630 C631 Q632 R633	T576-T578 WeakPolarHBondContact O-CB 3.32Å; T576-T578 PolarHBondContact O-N 3.05Å; T576-T578 PolarHBondContact O-OG1 3.09Å; T576-P617 PolarHBondContact N-O 3.39Å; T576-P617 WeakPolarHBondContact O-CB 3.34Å; T576-S630 PolarHBondContact N-OG 3.04Å; T576-S630 VanDerWaalsContact N-OG 3.16Å; T576-S630 WeakPolarHBondContact OG1-CB 3.37Å; T576-S630 PolarHBondContact OG1-O 2.81Å; T576-S630 PolarHBondContact OG1-OG 2.8Å; T576-C631 PolarHBondContact OG1-N 3.16Å; T576-C631 VanDerWaalsContact OG1-N 3.14Å; T576-Q632 PolarHBondContact OG1-N 2.9Å; T576-Q632 PolarHBondContact OG1-O 3.46Å; T576-R633 HydrophobicContact CG2-CG 4.35Å
577	P	98.4	Very high	96.9	Very high	64 Å²	64	45.9 Å²	45.9	42%	0.416	27%	0.265	S	S	.	.			trans	-50	119.4	177.4	-30.6	37.5	0	0	0	111.3	A450 V575 R633	A450-P577 CarbonylContact O-C 3.59Å; A450-P577 WeakPolarHBondContact O-CA 3.37Å; V575-P577 WeakPolarHBondContact O-CD 3.24Å; P577-R633 PolarHBondContact O-NH2 2.9Å
578	T	98.5	Very high	97	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-140.8	126.7	-169.4	-60.3	0	0	0	0	110.5	V447 C449 A450 T576 V584 R633	V447-T578 HydrophobicContact CG1-CG2 3.75Å; C449-T578 CarbonylContact C-O 3.55Å; C449-T578 WeakPolarHBondContact CA-O 3.41Å; C449-T578 VanDerWaalsContact CB-O 3.3Å; C449-T578 WeakPolarHBondContact CB-O 3.31Å; A450-T578 PolarHBondContact N-O 2.8Å; A450-T578 PolarHBondContact O-N 3.07Å; T576-T578 WeakPolarHBondContact O-CB 3.32Å; T576-T578 PolarHBondContact O-N 3.05Å; T576-T578 PolarHBondContact O-OG1 3.09Å; T578-V584 HydrophobicContact CG2-CG1 3.85Å; T578-V584 HydrophobicContact CG2-CG2 4.35Å; T578-R633 PolarHBondContact OG1-NE 3.15Å; T578-R633 PolarHBondContact OG1-NH2 3.13Å; T578-R633 VanDerWaalsContact OG1-NH2 3.11Å
579	F	98.4	Very high	97.1	Very high	41 Å²	41	47.2 Å²	47.2	18%	0.18	27%	0.265	C	S	.	.			trans	-136.9	177.3	174.4	-56.7	-86	0	0	0	110.7	N328 T331 E451 T581	N328-F579 WeakPolarHBondContact O-CB 3.31Å; T331-F579 HydrophobicContact CG2-CD1 4.23Å; T331-F579 HydrophobicContact CG2-CE1 3.76Å; E451-F579 HydrophobicContact CB-CZ 4.02Å; E451-F579 WeakPolarHBondContact OE2-CE2 3.42Å; E451-F579 WeakPolarHBondContact OE2-CZ 3.22Å; F579-T581 HydrophobicContact CB-CG2 4.33Å; F579-T581 PolarHBondContact O-N 3.01Å
580	L	97.9	Very high	97.4	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	24%	0.238	C	C	.	.	S	Bend	trans	-74.9	59.3	178.2	-58.6	179.3	0	0	0	112.1	F274 L327 N328 K336 A444 V447 L585	F274-L580 HydrophobicContact CE1-CB 4.13Å; F274-L580 HydrophobicContact CE1-CD1 4.06Å; F274-L580 HydrophobicContact CE1-CD2 4.44Å; F274-L580 HydrophobicContact CE1-CG 4.45Å; F274-L580 HydrophobicContact CZ-CD1 4.2Å; L327-L580 HydrophobicContact CD1-CD1 3.86Å; L327-L580 HydrophobicContact CG-CD1 3.87Å; N328-L580 WeakPolarHBondContact CB-O 3.37Å; K336-L580 HydrophobicContact CD-CD1 4.06Å; K336-L580 HydrophobicContact CG-CD1 4.26Å; A444-L580 HydrophobicContact CB-CD1 3.81Å; A444-L580 HydrophobicContact CB-CD2 4.49Å; V447-L580 HydrophobicContact CB-CD2 3.76Å; V447-L580 HydrophobicContact CG1-CD2 4.25Å; V447-L580 HydrophobicContact CG2-CD2 4.1Å; L580-L585 HydrophobicContact CD2-CD2 4.29Å
581	T	98	Very high	97.7	Very high	63 Å²	63	35.1 Å²	35.1	39%	0.387	21%	0.211	S	C	.	.			trans	-92.5	156.6	175.7	66.8	0	0	0	0	111.1	F579 G583 V584 L585	F579-T581 HydrophobicContact CB-CG2 4.33Å; F579-T581 PolarHBondContact O-N 3.01Å; T581-G583 VanDerWaalsContact C-N 3.28Å; T581-G583 PolarHBondContact O-N 3.37Å; T581-V584 PolarHBondContact O-N 2.77Å; T581-V584 VanDerWaalsContact O-N 3.17Å; T581-V584 VanDerWaalsContact OG1-CG2 3.32Å; T581-V584 WeakPolarHBondContact OG1-CG2 3.31Å; T581-L585 WeakPolarHBondContact O-CG 3.42Å; T581-L585 PolarHBondContact O-N 2.71Å
582	T	97.1	Very high	97.9	Very high	82 Å²	82	33.1 Å²	33.1	50%	0.503	20%	0.199	S	C	.	.	H	α-helix	trans	-57.9	-37.9	-176.2	52.3	0	0	0	0	113.3	Y304 S586	Y304-T582 HydrophobicContact CD2-CG2 4.23Å; Y304-T582 HydrophobicContact CE2-CG2 3.81Å; T582-S586 VanDerWaalsContact O-CB 3.31Å; T582-S586 WeakPolarHBondContact O-CB 3.29Å; T582-S586 PolarHBondContact O-N 2.91Å
583	G	97.8	Very high	98	Very high	43 Å²	43	36 Å²	36	44%	0.443	21%	0.21	S	C	.	.	H	α-helix	trans	-64.1	-48.8	175.9	0	0	0	0	0	112.4	T581 L585 S586 T587	T581-G583 VanDerWaalsContact C-N 3.28Å; T581-G583 PolarHBondContact O-N 3.37Å; G583-L585 PolarHBondContact O-N 2.87Å; G583-S586 VanDerWaalsContact O-CB 3.31Å; G583-S586 WeakPolarHBondContact O-CB 3.35Å; G583-S586 PolarHBondContact O-N 2.98Å; G583-S586 VanDerWaalsContact O-N 3.13Å; G583-T587 PolarHBondContact O-N 2.69Å; G583-T587 PolarHBondContact O-OG1 3.16Å
584	V	98.4	Very high	98.1	Very high	8 Å²	8	34.1 Å²	34.1	5%	0.048	20%	0.195	C	C	.	.	H	α-helix	trans	-61.1	-45.2	177.6	174.2	0	0	0	0	111	V447 T578 T581 S586 T587 L588 L615	V447-V584 HydrophobicContact CG1-CG1 3.71Å; V447-V584 HydrophobicContact CG2-CG1 4.3Å; T578-V584 HydrophobicContact CG2-CG1 3.85Å; T578-V584 HydrophobicContact CG2-CG2 4.35Å; T581-V584 PolarHBondContact O-N 2.77Å; T581-V584 VanDerWaalsContact O-N 3.17Å; T581-V584 VanDerWaalsContact OG1-CG2 3.32Å; T581-V584 WeakPolarHBondContact OG1-CG2 3.31Å; V584-S586 VanDerWaalsContact C-N 3.31Å; V584-S586 PolarHBondContact O-N 3.17Å; V584-T587 PolarHBondContact O-N 2.77Å; V584-L588 PolarHBondContact O-N 2.71Å; V584-L615 HydrophobicContact CG1-CD2 3.67Å
585	L	98.1	Very high	98.2	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-64.8	-34	175.5	-65.7	173.5	0	0	0	112.2	F274 Y304 L443 V447 L580 T581 G583 R589	F274-L585 HydrophobicContact CD1-CD1 3.91Å; F274-L585 HydrophobicContact CD1-CD2 3.8Å; F274-L585 HydrophobicContact CE1-CD1 3.65Å; F274-L585 HydrophobicContact CE1-CD2 3.99Å; F274-L585 HydrophobicContact CE1-CG 4.45Å; Y304-L585 HydrophobicContact CD1-CD1 4.34Å; Y304-L585 HydrophobicContact CE1-CD1 3.59Å; L443-L585 HydrophobicContact CB-CD2 4.37Å; V447-L585 HydrophobicContact CG2-CD2 4.24Å; L580-L585 HydrophobicContact CD2-CD2 4.29Å; T581-L585 WeakPolarHBondContact O-CG 3.42Å; T581-L585 PolarHBondContact O-N 2.71Å; G583-L585 PolarHBondContact O-N 2.87Å; L585-R589 VanDerWaalsContact O-CB 3.29Å; L585-R589 WeakPolarHBondContact O-CB 3.42Å; L585-R589 VanDerWaalsContact O-CG 3.24Å; L585-R589 WeakPolarHBondContact O-CG 3.41Å; L585-R589 PolarHBondContact O-N 3.35Å; L585-R589 PolarHBondContact O-NE 2.96Å
586	S	98.3	Very high	98.1	Very high	65 Å²	65	32.1 Å²	32.1	46%	0.455	18%	0.184	S	C	.	.	H	α-helix	trans	-63.1	-47.6	173.9	-164.7	0	0	0	0	111.4	T582 G583 V584 L588 R589 Q590	T582-S586 VanDerWaalsContact O-CB 3.31Å; T582-S586 WeakPolarHBondContact O-CB 3.29Å; T582-S586 PolarHBondContact O-N 2.91Å; G583-S586 VanDerWaalsContact O-CB 3.31Å; G583-S586 WeakPolarHBondContact O-CB 3.35Å; G583-S586 PolarHBondContact O-N 2.98Å; G583-S586 VanDerWaalsContact O-N 3.13Å; V584-S586 VanDerWaalsContact C-N 3.31Å; V584-S586 PolarHBondContact O-N 3.17Å; S586-L588 PolarHBondContact O-N 2.75Å; S586-R589 PolarHBondContact O-N 2.96Å; S586-Q590 PolarHBondContact O-N 2.67Å
587	T	98.6	Very high	98	Very high	36 Å²	36	33.7 Å²	33.7	22%	0.221	19%	0.192	C	C	.	.	H	α-helix	trans	-58.8	-48.6	176.4	-60	0	0	0	0	111.4	G583 V584 Q590 A591 L615 I672 I675	G583-T587 PolarHBondContact O-N 2.69Å; G583-T587 PolarHBondContact O-OG1 3.16Å; V584-T587 PolarHBondContact O-N 2.77Å; T587-Q590 PolarHBondContact O-N 3.42Å; T587-A591 PolarHBondContact O-N 2.98Å; T587-L615 HydrophobicContact CG2-CD1 4.44Å; T587-L615 HydrophobicContact CG2-CD2 4.47Å; T587-I672 HydrophobicContact CG2-CG2 4.14Å; T587-I675 HydrophobicContact CG2-CD1 3.62Å; T587-I675 HydrophobicContact CG2-CG1 4.39Å
588	L	98.6	Very high	98	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66	-41.7	178.8	179.3	56.6	0	0	0	112.4	L443 R446 V447 V584 S586 Q590 A591 D592 V613 L615	L443-L588 HydrophobicContact CB-CD2 4.27Å; L443-L588 HydrophobicContact CD2-CD2 4.1Å; L443-L588 HydrophobicContact CD2-CG 4.29Å; R446-L588 HydrophobicContact CB-CD2 3.9Å; R446-L588 VanDerWaalsContact O-CD2 3.31Å; R446-L588 WeakPolarHBondContact O-CD2 3.49Å; V447-L588 HydrophobicContact CG2-CD2 3.44Å; V447-L588 VanDerWaalsContact CG2-CD2 3.44Å; V584-L588 PolarHBondContact O-N 2.71Å; S586-L588 PolarHBondContact O-N 2.75Å; L588-Q590 PolarHBondContact O-N 3.41Å; L588-A591 PolarHBondContact O-N 3.3Å; L588-D592 WeakPolarHBondContact O-CB 3.36Å; L588-D592 PolarHBondContact O-N 2.98Å; L588-V613 HydrophobicContact CD1-CG1 4.06Å; L588-V613 WeakPolarHBondContact CD1-O 3.24Å; L588-L615 HydrophobicContact CB-CB 4.22Å; L588-L615 HydrophobicContact CB-CD2 4.26Å; L588-L615 HydrophobicContact CD1-CB 4.09Å; L588-L615 HydrophobicContact CD2-CB 4.26Å; L588-L615 HydrophobicContact CG-CB 4.41Å
589	R	98.2	Very high	97.9	Very high	68 Å²	68	31.1 Å²	31.1	26%	0.257	17%	0.174	S	C	.	.	H	α-helix	trans	-58.3	-37.1	175.6	-81.4	174.4	-62.7	176.9	3.6	112.2	L443 L585 S586 F593	L443-R589 HydrophobicContact CD1-CB 4.37Å; L443-R589 HydrophobicContact CD1-CG 3.24Å; L585-R589 VanDerWaalsContact O-CB 3.29Å; L585-R589 WeakPolarHBondContact O-CB 3.42Å; L585-R589 VanDerWaalsContact O-CG 3.24Å; L585-R589 WeakPolarHBondContact O-CG 3.41Å; L585-R589 PolarHBondContact O-N 3.35Å; L585-R589 PolarHBondContact O-NE 2.96Å; S586-R589 PolarHBondContact O-N 2.96Å; R589-F593 WeakPolarHBondContact O-CB 3.13Å; R589-F593 PolarHBondContact O-N 3.27Å; R589-F593 VanDerWaalsContact O-N 3.07Å
590	Q	98.5	Very high	97.7	Very high	54 Å²	54	34.7 Å²	34.7	25%	0.252	19%	0.187	S	C	.	.	H	α-helix	trans	-69.2	-46.3	176.1	-172.2	61.4	30.1	0	0	111.2	S586 T587 L588 D592 F593 E594 I672	S586-Q590 PolarHBondContact O-N 2.67Å; T587-Q590 PolarHBondContact O-N 3.42Å; L588-Q590 PolarHBondContact O-N 3.41Å; Q590-D592 PolarHBondContact O-N 2.86Å; Q590-F593 PolarHBondContact O-N 3.01Å; Q590-E594 PolarHBondContact NE2-OE1 3.05Å; Q590-E594 WeakPolarHBondContact O-CG 3.49Å; Q590-E594 PolarHBondContact O-N 3.4Å; Q590-I672 HydrophobicContact CB-CD1 4.19Å; Q590-I672 HydrophobicContact CG-CD1 3.8Å; Q590-I672 HydrophobicContact CG-CG1 4.14Å
591	A	98.6	Very high	97.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.9	-44	178.1	0	0	0	0	0	112.5	T587 L588 A595 V613 V635 I669 I672	T587-A591 PolarHBondContact O-N 2.98Å; L588-A591 PolarHBondContact O-N 3.3Å; A591-A595 WeakPolarHBondContact O-CB 3.49Å; A591-A595 PolarHBondContact O-N 2.88Å; A591-A595 VanDerWaalsContact O-N 3.08Å; A591-V613 HydrophobicContact CB-CG1 4.32Å; A591-V635 HydrophobicContact CB-CG1 4.34Å; A591-V635 HydrophobicContact CB-CG2 4.1Å; A591-I669 HydrophobicContact CB-CG2 3.88Å; A591-I672 HydrophobicContact CB-CD1 3.89Å
592	D	98.3	Very high	97.4	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-61.6	-42.4	176.2	-178.3	90.2	0	0	0	111.6	R276 R446 L588 Q590 H596 V613	R276-D592 WeakPolarHBondContact CD-OD2 3.49Å; R276-D592 VanDerWaalsContact CG-OD2 3.31Å; R276-D592 WeakPolarHBondContact CG-OD2 3.36Å; R446-D592 IonicContact NH1-OD1 3.28Å; L588-D592 WeakPolarHBondContact O-CB 3.36Å; L588-D592 PolarHBondContact O-N 2.98Å; Q590-D592 PolarHBondContact O-N 2.86Å; D592-H596 WeakPolarHBondContact O-CB 3.28Å; D592-H596 PolarHBondContact O-N 2.72Å; D592-H596 PolarHBondContact O-ND1 2.77Å; D592-H596 IonicContact OD1-CE1 3.73Å; D592-H596 PolarHBondContact OD1-CE1 2.94Å; D592-H596 IonicContact OD1-ND1 3.68Å; D592-H596 PolarHBondContact OD1-ND1 3.29Å; D592-H596 IonicContact OD2-CE1 3.64Å; D592-H596 IonicContact OD2-ND1 2.71Å; D592-V613 HydrophobicContact CB-CB 4.14Å
593	F	97.6	Very high	97.2	Very high	68 Å²	68	39.4 Å²	39.4	30%	0.298	22%	0.219	S	C	.	.	H	α-helix	trans	-62.1	-50.3	177.4	176.8	-102.7	0	0	0	112.4	K277 R589 Q590 A595 H596 N597	K277-F593 HydrophobicContact CB-CB 4.21Å; K277-F593 HydrophobicContact CB-CD2 4.12Å; K277-F593 HydrophobicContact CB-CG 4.38Å; K277-F593 HydrophobicContact CD-CB 4.07Å; K277-F593 HydrophobicContact CD-CD1 4.14Å; K277-F593 HydrophobicContact CD-CD2 4.02Å; K277-F593 HydrophobicContact CD-CE2 4.48Å; K277-F593 HydrophobicContact CD-CG 3.82Å; K277-F593 HydrophobicContact CG-CD2 4.47Å; R589-F593 WeakPolarHBondContact O-CB 3.13Å; R589-F593 PolarHBondContact O-N 3.27Å; R589-F593 VanDerWaalsContact O-N 3.07Å; Q590-F593 PolarHBondContact O-N 3.01Å; F593-A595 PolarHBondContact O-N 3.5Å; F593-H596 PolarHBondContact O-N 2.75Å; F593-N597 WeakPolarHBondContact CD1-ND2 3.34Å; F593-N597 WeakPolarHBondContact CE1-ND2 3.35Å; F593-N597 VanDerWaalsContact CE2-ND2 3.28Å; F593-N597 WeakPolarHBondContact CE2-ND2 3.3Å; F593-N597 WeakPolarHBondContact CZ-ND2 3.42Å; F593-N597 WeakPolarHBondContact O-CB 3.49Å; F593-N597 PolarHBondContact O-N 2.89Å; F593-N597 PolarHBondContact O-ND2 3.33Å
594	E	98.2	Very high	97.1	Very high	50 Å²	50	41.6 Å²	41.6	23%	0.234	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-45.1	179.3	-64.2	-55.3	156.6	0	0	111.4	Q590 H596 N597 I598 I669	Q590-E594 PolarHBondContact NE2-OE1 3.05Å; Q590-E594 WeakPolarHBondContact O-CG 3.49Å; Q590-E594 PolarHBondContact O-N 3.4Å; E594-H596 PolarHBondContact O-N 3.48Å; E594-N597 PolarHBondContact O-N 2.91Å; E594-I598 WeakPolarHBondContact O-CD1 3.36Å; E594-I598 VanDerWaalsContact O-CG1 3.29Å; E594-I598 WeakPolarHBondContact O-CG1 3.36Å; E594-I598 PolarHBondContact O-N 3.15Å; E594-I669 HydrophobicContact CB-CG1 4.47Å
595	A	98	Very high	96.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.2	-50.2	178.5	0	0	0	0	0	111.8	A591 F593 N597 I598 L599 M611 V613 M665 I669	A591-A595 WeakPolarHBondContact O-CB 3.49Å; A591-A595 PolarHBondContact O-N 2.88Å; A591-A595 VanDerWaalsContact O-N 3.08Å; F593-A595 PolarHBondContact O-N 3.5Å; A595-N597 PolarHBondContact O-N 3.49Å; A595-I598 PolarHBondContact O-N 2.9Å; A595-L599 PolarHBondContact O-N 3.11Å; A595-M611 HydrophobicContact CB-CE 3.8Å; A595-V613 HydrophobicContact CB-CG2 3.77Å; A595-M665 HydrophobicContact CB-SD 4.45Å; A595-M665 WeakPolarHBondContact O-CE 3.33Å; A595-I669 HydrophobicContact CB-CD1 4.05Å
596	H	96.5	Very high	96.3	Very high	23 Å²	23	45.9 Å²	45.9	11%	0.106	26%	0.259	C	S	.	.	H	α-helix	trans	-69.7	-32.4	-177.8	-75.5	86.2	0	0	0	113	D592 F593 E594 L599 R600 M611	D592-H596 WeakPolarHBondContact O-CB 3.28Å; D592-H596 PolarHBondContact O-N 2.72Å; D592-H596 PolarHBondContact O-ND1 2.77Å; D592-H596 IonicContact OD1-CE1 3.73Å; D592-H596 PolarHBondContact OD1-CE1 2.94Å; D592-H596 IonicContact OD1-ND1 3.68Å; D592-H596 PolarHBondContact OD1-ND1 3.29Å; D592-H596 IonicContact OD2-CE1 3.64Å; D592-H596 IonicContact OD2-ND1 2.71Å; F593-H596 PolarHBondContact O-N 2.75Å; E594-H596 PolarHBondContact O-N 3.48Å; H596-L599 PolarHBondContact O-N 2.99Å; H596-R600 VanDerWaalsContact O-CB 3.3Å; H596-R600 WeakPolarHBondContact O-CB 3.34Å; H596-R600 PolarHBondContact O-N 2.92Å; H596-M611 PolarHBondContact CE1-O 2.94Å; H596-M611 PolarHBondContact NE2-O 3.24Å
597	N	96	Very high	96	Very high	36 Å²	36	49.6 Å²	49.6	19%	0.193	27%	0.266	C	S	.	.	H	α-helix	trans	-65.5	-47.4	174.6	-73.5	-16.3	0	0	0	111.2	F593 E594 A595 L599 R600 E601	F593-N597 WeakPolarHBondContact CD1-ND2 3.34Å; F593-N597 WeakPolarHBondContact CE1-ND2 3.35Å; F593-N597 VanDerWaalsContact CE2-ND2 3.28Å; F593-N597 WeakPolarHBondContact CE2-ND2 3.3Å; F593-N597 WeakPolarHBondContact CZ-ND2 3.42Å; F593-N597 WeakPolarHBondContact O-CB 3.49Å; F593-N597 PolarHBondContact O-N 2.89Å; F593-N597 PolarHBondContact O-ND2 3.33Å; E594-N597 PolarHBondContact O-N 2.91Å; A595-N597 PolarHBondContact O-N 3.49Å; N597-L599 VanDerWaalsContact C-N 3.28Å; N597-L599 PolarHBondContact O-N 3.46Å; N597-R600 PolarHBondContact O-N 2.46Å; N597-E601 WeakPolarHBondContact O-CB 3.24Å; N597-E601 WeakPolarHBondContact O-CG 3.24Å; N597-E601 PolarHBondContact O-N 3.43Å
598	I	98.1	Very high	95.7	Very high	9 Å²	9	48.1 Å²	48.1	5%	0.046	26%	0.257	C	S	.	.	H	α-helix	trans	-59.4	-41.7	177.1	-68.5	163.1	0	0	0	110.9	E594 A595 R600 S602 V661 K664 M665 E668	E594-I598 WeakPolarHBondContact O-CD1 3.36Å; E594-I598 VanDerWaalsContact O-CG1 3.29Å; E594-I598 WeakPolarHBondContact O-CG1 3.36Å; E594-I598 PolarHBondContact O-N 3.15Å; A595-I598 PolarHBondContact O-N 2.9Å; I598-R600 VanDerWaalsContact C-N 3.33Å; I598-R600 PolarHBondContact O-N 3.31Å; I598-S602 WeakPolarHBondContact O-CB 3.43Å; I598-S602 PolarHBondContact O-N 2.94Å; I598-S602 PolarHBondContact O-OG 3.21Å; I598-V661 HydrophobicContact CG2-CG1 4.06Å; I598-K664 HydrophobicContact CD1-CG 4.13Å; I598-K664 HydrophobicContact CG1-CD 4.41Å; I598-K664 HydrophobicContact CG1-CG 4.4Å; I598-K664 HydrophobicContact CG2-CB 4.15Å; I598-K664 HydrophobicContact CG2-CD 4.05Å; I598-K664 HydrophobicContact CG2-CG 4.2Å; I598-M665 HydrophobicContact CB-CE 4.49Å; I598-M665 HydrophobicContact CB-CG 4.04Å; I598-M665 HydrophobicContact CD1-CB 4.44Å; I598-M665 HydrophobicContact CD1-CG 4.13Å; I598-M665 HydrophobicContact CG2-CE 4.21Å; I598-M665 HydrophobicContact CG2-CG 3.79Å; I598-E668 HydrophobicContact CD1-CB 4.02Å; I598-E668 HydrophobicContact CD1-CG 3.88Å
599	L	96.6	Very high	95.3	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-64.8	-37	176	-175.2	59.8	0	0	0	112.6	A595 H596 N597 S602 Y604 A605 I608 M611 I657 M665	A595-L599 PolarHBondContact O-N 3.11Å; H596-L599 PolarHBondContact O-N 2.99Å; N597-L599 VanDerWaalsContact C-N 3.28Å; N597-L599 PolarHBondContact O-N 3.46Å; L599-S602 PolarHBondContact O-OG 2.95Å; L599-Y604 PolarHBondContact O-N 3.17Å; L599-A605 HydrophobicContact CG-CB 4.2Å; L599-A605 PolarHBondContact O-N 2.7Å; L599-I608 HydrophobicContact CD1-CD1 4.1Å; L599-I608 HydrophobicContact CD2-CD1 4.34Å; L599-M611 HydrophobicContact CB-CE 4.19Å; L599-M611 HydrophobicContact CD2-CB 4.35Å; L599-M611 HydrophobicContact CD2-CE 3.85Å; L599-M611 HydrophobicContact CD2-SD 3.82Å; L599-I657 HydrophobicContact CD1-CD1 3.75Å; L599-M665 HydrophobicContact CB-CE 3.65Å; L599-M665 HydrophobicContact CD1-CE 4.27Å; L599-M665 HydrophobicContact CG-CE 4.45Å
600	R	93.4	Very high	95	Very high	117 Å²	117	46.8 Å²	46.8	44%	0.442	26%	0.257	S	S	.	.	H	α-helix	trans	-72.7	-49.9	-179.8	-172.8	-177	-61.3	-166.4	1.9	111.7	E431 H596 N597 I598 S602 G603	E431-R600 IonicContact OE2-NH1 3.44Å; E431-R600 PolarHBondContact OE2-NH1 2.82Å; H596-R600 VanDerWaalsContact O-CB 3.3Å; H596-R600 WeakPolarHBondContact O-CB 3.34Å; H596-R600 PolarHBondContact O-N 2.92Å; N597-R600 PolarHBondContact O-N 2.46Å; I598-R600 VanDerWaalsContact C-N 3.33Å; I598-R600 PolarHBondContact O-N 3.31Å; R600-S602 PolarHBondContact O-N 3.42Å; R600-G603 PolarHBondContact O-N 3Å
601	E	94.9	Very high	95	Very high	142 Å²	142	44.2 Å²	44.2	66%	0.664	25%	0.245	S	C	*	.	H	α-helix	trans	-63.8	-27.2	-178.8	-70.5	171.5	-168.7	0	0	112.6	N597 G603	N597-E601 WeakPolarHBondContact O-CB 3.24Å; N597-E601 WeakPolarHBondContact O-CG 3.24Å; N597-E601 PolarHBondContact O-N 3.43Å; E601-G603 VanDerWaalsContact C-N 3.31Å
602	S	95.6	Very high	94.9	Very high	40 Å²	40	44.2 Å²	44.2	28%	0.28	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-10.6	174.6	57.4	0	0	0	0	114.1	I598 L599 R600 Y604	I598-S602 WeakPolarHBondContact O-CB 3.43Å; I598-S602 PolarHBondContact O-N 2.94Å; I598-S602 PolarHBondContact O-OG 3.21Å; L599-S602 PolarHBondContact O-OG 2.95Å; R600-S602 PolarHBondContact O-N 3.42Å; S602-Y604 VanDerWaalsContact C-N 3.3Å; S602-Y604 WeakPolarHBondContact O-CD2 3.2Å; S602-Y604 WeakPolarHBondContact O-CE2 3.46Å; S602-Y604 PolarHBondContact O-N 3.24Å
603	G	93.9	Very high	95	Very high	62 Å²	62	44 Å²	44	64%	0.639	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.8	2.9	-179.6	0	0	0	0	0	115.3	R600 E601	R600-G603 PolarHBondContact O-N 3Å; E601-G603 VanDerWaalsContact C-N 3.31Å
604	Y	94.4	Very high	95	Very high	89 Å²	89	40.8 Å²	40.8	35%	0.349	23%	0.23	S	C	.	.			trans	-92.6	-0	-178.2	-71.9	-94	0	0	0	114.1	L599 S602 G606 K607 P658	L599-Y604 PolarHBondContact O-N 3.17Å; S602-Y604 VanDerWaalsContact C-N 3.3Å; S602-Y604 WeakPolarHBondContact O-CD2 3.2Å; S602-Y604 WeakPolarHBondContact O-CE2 3.46Å; S602-Y604 PolarHBondContact O-N 3.24Å; Y604-G606 PolarHBondContact O-N 3.16Å; Y604-G606 VanDerWaalsContact O-N 3.15Å; Y604-K607 HydrophobicContact CD1-CG 4.13Å; Y604-K607 WeakPolarHBondContact O-CB 3.18Å; Y604-K607 PolarHBondContact O-N 3.44Å; Y604-P658 HydrophobicContact CD1-CG 4.33Å; Y604-P658 HydrophobicContact CD2-CG 3.99Å; Y604-P658 HydrophobicContact CE1-CG 3.81Å; Y604-P658 HydrophobicContact CE2-CG 3.44Å; Y604-P658 VanDerWaalsContact CE2-CG 3.44Å; Y604-P658 HydrophobicContact CG-CG 4.41Å
605	A	90.9	Very high	95	Very high	29 Å²	29	38.4 Å²	38.4	24%	0.24	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-54	-36	178.5	0	0	0	0	0	113.5	H436 L599 K607 I608	H436-A605 PolarHBondContact NE2-O 2.89Å; L599-A605 HydrophobicContact CG-CB 4.2Å; L599-A605 PolarHBondContact O-N 2.7Å; A605-K607 VanDerWaalsContact C-N 3.32Å; A605-K607 PolarHBondContact O-N 2.9Å; A605-I608 VanDerWaalsContact O-O 3.11Å
606	G	88.8	Confident	95.1	Very high	71 Å²	71	38.4 Å²	38.4	73%	0.732	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-76	-13.1	178.1	0	0	0	0	0	115.2	Y604	Y604-G606 PolarHBondContact O-N 3.16Å; Y604-G606 VanDerWaalsContact O-N 3.15Å
607	K	91.6	Very high	95.2	Very high	142 Å²	142	37.3 Å²	37.3	62%	0.617	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-83.6	-18.1	178.2	-68.1	-70.1	-172.9	172.6	0	112.9	Y604 A605	Y604-K607 HydrophobicContact CD1-CG 4.13Å; Y604-K607 WeakPolarHBondContact O-CB 3.18Å; Y604-K607 PolarHBondContact O-N 3.44Å; A605-K607 VanDerWaalsContact C-N 3.32Å; A605-K607 PolarHBondContact O-N 2.9Å
608	I	93.4	Very high	95.3	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.026	21%	0.205	C	C	.	.			trans	-110.9	135.3	-179.7	-62.7	175.1	0	0	0	108.4	H436 L599 A605 Q610 T639 F640 A651 I657	H436-I608 PolarHBondContact CD2-O 3.45Å; H436-I608 PolarHBondContact NE2-O 3.35Å; L599-I608 HydrophobicContact CD1-CD1 4.1Å; L599-I608 HydrophobicContact CD2-CD1 4.34Å; A605-I608 VanDerWaalsContact O-O 3.11Å; I608-Q610 WeakPolarHBondContact CG2-O 3.43Å; I608-T639 HydrophobicContact CD1-CG2 3.74Å; I608-F640 WeakPolarHBondContact CG2-O 3.46Å; I608-A651 HydrophobicContact CD1-CB 4.08Å; I608-A651 HydrophobicContact CG1-CB 4.19Å; I608-I657 HydrophobicContact CD1-CB 4.38Å; I608-I657 HydrophobicContact CD1-CD1 3.83Å
609	S	89	Confident	95.3	Very high	29 Å²	29	36.1 Å²	36.1	20%	0.203	21%	0.207	C	C	.	.	S	Bend	trans	-74.4	-37.7	-179.9	-54.2	0	0	0	0	112	H436 P437 F640 T642	H436-S609 PolarHBondContact CD2-O 3.48Å; H436-S609 VanDerWaalsContact CD2-O 3.3Å; P437-S609 WeakPolarHBondContact CD-O 3.46Å; S609-F640 WeakPolarHBondContact CA-O 3.3Å; S609-F640 WeakPolarHBondContact CB-O 3.48Å; S609-F640 PolarHBondContact N-O 2.83Å; S609-T642 PolarHBondContact OG-N 2.8Å; S609-T642 PolarHBondContact OG-O 3.27Å
610	Q	93	Very high	95.4	Very high	11 Å²	11	36.2 Å²	36.2	5%	0.051	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-157.8	148.2	176	-154.4	-176	-8.2	0	0	111.3	H436 P437 I608 F640 F645 T690 E691	H436-Q610 HydrophobicContact CB-CG 4.13Å; P437-Q610 WeakPolarHBondContact O-CG 3.28Å; P437-Q610 PolarHBondContact O-NE2 3.36Å; I608-Q610 WeakPolarHBondContact CG2-O 3.43Å; Q610-F640 PolarHBondContact N-O 2.93Å; Q610-F640 VanDerWaalsContact N-O 3.11Å; Q610-F640 PolarHBondContact O-N 2.81Å; Q610-F645 HydrophobicContact CB-CE1 4.32Å; Q610-T690 HydrophobicContact CB-CG2 4.28Å; Q610-E691 PolarHBondContact NE2-OE1 3.46Å
611	M	97.5	Very high	95.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.21	C	C	.	.			trans	-128.6	80.6	173.8	-169.8	178.1	69.3	0	0	113.3	A595 H596 L599 V613 I637 R638 T639 M665	A595-M611 HydrophobicContact CB-CE 3.8Å; H596-M611 PolarHBondContact CE1-O 2.94Å; H596-M611 PolarHBondContact NE2-O 3.24Å; L599-M611 HydrophobicContact CB-CE 4.19Å; L599-M611 HydrophobicContact CD2-CB 4.35Å; L599-M611 HydrophobicContact CD2-CE 3.85Å; L599-M611 HydrophobicContact CD2-SD 3.82Å; M611-V613 HydrophobicContact CE-CG2 4.5Å; M611-V613 PolarHBondContact O-N 3.17Å; M611-I637 HydrophobicContact CG-CG2 4.34Å; M611-I637 HydrophobicContact SD-CG2 4.02Å; M611-R638 CarbonylContact C-O 3.55Å; M611-R638 VanDerWaalsContact CA-O 3.23Å; M611-R638 WeakPolarHBondContact CA-O 3.49Å; M611-T639 HydrophobicContact CG-CG2 4.29Å; M611-T639 HydrophobicContact SD-CG2 4.25Å; M611-M665 HydrophobicContact CE-CE 4.22Å; M611-M665 HydrophobicContact SD-CE 4.06Å; M611-M665 HydrophobicContact SD-SD 4.21Å
612	P	97.9	Very high	95.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.186	C	C	.	.			trans	-56.7	132.3	166.9	-26.2	35	0	0	0	112.4	I614 R638 T690	P612-I614 HydrophobicContact CB-CD1 3.86Å; P612-I614 HydrophobicContact CB-CG1 4.5Å; P612-R638 HydrophobicContact CB-CB 4.16Å; P612-R638 WeakPolarHBondContact CD-O 3.4Å; P612-R638 WeakPolarHBondContact O-CA 3.23Å; P612-R638 WeakPolarHBondContact O-CB 3.21Å; P612-R638 PolarHBondContact O-N 2.78Å; P612-T690 HydrophobicContact CG-CG2 4.29Å
613	V	98.6	Very high	95.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.3	167.4	-179.6	0	0	0	0	106.9	L588 A591 D592 A595 M611 V635 V636	L588-V613 HydrophobicContact CD1-CG1 4.06Å; L588-V613 WeakPolarHBondContact CD1-O 3.24Å; A591-V613 HydrophobicContact CB-CG1 4.32Å; D592-V613 HydrophobicContact CB-CB 4.14Å; A595-V613 HydrophobicContact CB-CG2 3.77Å; M611-V613 HydrophobicContact CE-CG2 4.5Å; M611-V613 PolarHBondContact O-N 3.17Å; V613-V635 HydrophobicContact CG1-CG1 3.54Å; V613-V636 WeakPolarHBondContact CA-O 3.31Å
614	I	98.8	Very high	94.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	137.7	-169.6	-55.6	94.3	0	0	0	110	R446 I448 P612 T616 V635 V636 R638 W692	R446-I614 CarbonylContact O-C 3.37Å; R446-I614 VanDerWaalsContact O-CA 3.23Å; R446-I614 WeakPolarHBondContact O-CA 3.32Å; R446-I614 WeakPolarHBondContact O-CG2 3.4Å; I448-I614 HydrophobicContact CD1-CG2 4.37Å; I448-I614 HydrophobicContact CG1-CG2 4.11Å; P612-I614 HydrophobicContact CB-CD1 3.86Å; P612-I614 HydrophobicContact CB-CG1 4.5Å; I614-T616 HydrophobicContact CG2-CG2 4.32Å; I614-V635 CarbonylContact O-C 3.11Å; I614-V635 VanDerWaalsContact O-CA 3.27Å; I614-V635 WeakPolarHBondContact O-CA 3.48Å; I614-V636 HydrophobicContact CB-CB 4.14Å; I614-V636 HydrophobicContact CD1-CB 4.22Å; I614-V636 HydrophobicContact CD1-CG1 4.41Å; I614-V636 PolarHBondContact N-O 3.23Å; I614-V636 PolarHBondContact O-N 3.37Å; I614-R638 HydrophobicContact CD1-CB 3.72Å; I614-W692 HydrophobicContact CD1-CG 4.08Å; I614-W692 HydrophobicContact CG1-CB 4.09Å; I614-W692 HydrophobicContact CG1-CD2 4.46Å; I614-W692 HydrophobicContact CG1-CG 3.94Å; I614-W692 HydrophobicContact CG2-CB 4.23Å; I614-W692 HydrophobicContact CG2-CD2 4.32Å; I614-W692 HydrophobicContact CG2-CE3 4.31Å; I614-W692 HydrophobicContact CG2-CG 4.32Å
615	L	98.9	Very high	94.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.2	171.2	-165	66.5	0	0	0	110.3	R446 V447 I448 V584 T587 L588 R633 V635 I675	R446-L615 PolarHBondContact O-N 3.08Å; V447-L615 HydrophobicContact CG2-CB 4.49Å; I448-L615 PolarHBondContact N-O 3.37Å; V584-L615 HydrophobicContact CG1-CD2 3.67Å; T587-L615 HydrophobicContact CG2-CD1 4.44Å; T587-L615 HydrophobicContact CG2-CD2 4.47Å; L588-L615 HydrophobicContact CB-CB 4.22Å; L588-L615 HydrophobicContact CB-CD2 4.26Å; L588-L615 HydrophobicContact CD1-CB 4.09Å; L588-L615 HydrophobicContact CD2-CB 4.26Å; L588-L615 HydrophobicContact CG-CB 4.41Å; L615-R633 HydrophobicContact CD1-CB 3.77Å; L615-R633 HydrophobicContact CG-CB 4.05Å; L615-V635 HydrophobicContact CD1-CG2 3.77Å; L615-I675 HydrophobicContact CD1-CD1 3.85Å
616	T	98.7	Very high	94.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	145.3	-177.1	66	0	0	0	0	111	I448 I514 I614 L618 R633 S634 V636 M679 W692	I448-T616 HydrophobicContact CD1-CG2 3.61Å; I448-T616 HydrophobicContact CG1-CG2 4.45Å; I514-T616 HydrophobicContact CD1-CG2 4.33Å; I614-T616 HydrophobicContact CG2-CG2 4.32Å; T616-L618 PolarHBondContact O-N 3.35Å; T616-R633 CarbonylContact O-C 3.44Å; T616-R633 WeakPolarHBondContact O-CA 3.31Å; T616-R633 VanDerWaalsContact O-CB 3.24Å; T616-R633 WeakPolarHBondContact O-CB 3.49Å; T616-S634 PolarHBondContact N-O 3.4Å; T616-S634 PolarHBondContact O-N 3.14Å; T616-S634 WeakPolarHBondContact OG1-CB 3.3Å; T616-S634 PolarHBondContact OG1-O 3.5Å; T616-V636 HydrophobicContact CG2-CG2 3.74Å; T616-M679 HydrophobicContact CG2-CE 3.97Å; T616-M679 VanDerWaalsContact OG1-CE 3.24Å; T616-M679 WeakPolarHBondContact OG1-CE 3.27Å; T616-W692 HydrophobicContact CG2-CZ3 4.14Å
617	P	98.6	Very high	94.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.218	C	C	.	.			trans	-79.9	43.6	-176	35.2	-39.2	0	0	0	112.7	I448 A450 I514 V575 T576	I448-P617 HydrophobicContact CG2-CG 4.38Å; A450-P617 HydrophobicContact CB-CB 4.44Å; A450-P617 HydrophobicContact CB-CG 3.93Å; I514-P617 HydrophobicContact CG2-CG 3.71Å; V575-P617 CarbonylContact C-O 3.6Å; V575-P617 WeakPolarHBondContact CA-O 3.2Å; V575-P617 HydrophobicContact CB-CB 4.19Å; V575-P617 HydrophobicContact CB-CG 4.3Å; V575-P617 HydrophobicContact CG1-CG 4.31Å; T576-P617 PolarHBondContact N-O 3.39Å; T576-P617 WeakPolarHBondContact O-CB 3.34Å
618	L	98.6	Very high	94.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.206	C	C	.	.			trans	-116.9	125.8	-170.3	-62.1	173.2	0	0	0	112.4	L512 P513 I514 P572 V575 T616 F620 Q632 R633 S634 M679	L512-L618 HydrophobicContact CB-CD1 4.06Å; L512-L618 HydrophobicContact CD1-CD1 3.74Å; L512-L618 HydrophobicContact CD2-CD1 4.08Å; L512-L618 HydrophobicContact CG-CD1 4.18Å; P513-L618 HydrophobicContact CG-CD2 4.14Å; I514-L618 HydrophobicContact CD1-CD1 3.9Å; I514-L618 HydrophobicContact CG1-CD1 4.46Å; I514-L618 HydrophobicContact CG2-CD2 4.09Å; I514-L618 HydrophobicContact CG2-CG 4.37Å; P572-L618 HydrophobicContact CG-CD2 4.33Å; V575-L618 HydrophobicContact CG1-CD2 4.48Å; T616-L618 PolarHBondContact O-N 3.35Å; L618-F620 HydrophobicContact CB-CD2 4.33Å; L618-F620 HydrophobicContact CB-CE2 3.63Å; L618-F620 HydrophobicContact CB-CZ 4.09Å; L618-F620 HydrophobicContact CD1-CE2 4.25Å; L618-F620 HydrophobicContact CD1-CZ 4.04Å; L618-Q632 CarbonylContact C-O 3.56Å; L618-R633 CarbonylContact O-C 3.55Å; L618-S634 PolarHBondContact O-N 2.9Å; L618-S634 PolarHBondContact O-OG 2.91Å; L618-M679 HydrophobicContact CD1-CE 4.36Å
619	H	98.4	Very high	94.3	Very high	20 Å²	20	46 Å²	46	9%	0.093	24%	0.236	C	C	.	.			trans	-114.7	104.3	175.6	-169.3	-177.6	0	0	0	109.9	R622 S630 C631 Q632	H619-R622 WeakPolarHBondContact ND1-CD 3.48Å; H619-R622 PolarHBondContact O-NE 2.87Å; H619-R622 PolarHBondContact O-NH2 3.08Å; H619-S630 VanDerWaalsContact CB-OG 3.3Å; H619-S630 WeakPolarHBondContact CB-OG 3.35Å; H619-C631 PolarHBondContact ND1-N 3.17Å; H619-Q632 HydrophobicContact CB-CB 4.29Å; H619-Q632 PolarHBondContact NE2-OE1 3.11Å
620	F	97.5	Very high	94.7	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.018	23%	0.231	C	C	.	.			trans	-89	173.5	177.2	-60.9	-90.4	0	0	0	111.7	F510 L512 I563 V568 P572 L618 R622 S634 S676 R677 M679	F510-F620 HydrophobicContact CE2-CE1 4.43Å; L512-F620 HydrophobicContact CD2-CE1 3.92Å; L512-F620 HydrophobicContact CD2-CZ 3.79Å; I563-F620 HydrophobicContact CD1-CE1 4.05Å; I563-F620 HydrophobicContact CD1-CZ 4.18Å; V568-F620 HydrophobicContact CG1-CD1 3.92Å; V568-F620 HydrophobicContact CG1-CE1 4.38Å; V568-F620 HydrophobicContact CG2-CD1 4.19Å; P572-F620 HydrophobicContact CG-CD1 3.98Å; P572-F620 HydrophobicContact CG-CE1 3.89Å; P572-F620 HydrophobicContact CG-CZ 4.39Å; L618-F620 HydrophobicContact CB-CD2 4.33Å; L618-F620 HydrophobicContact CB-CE2 3.63Å; L618-F620 HydrophobicContact CB-CZ 4.09Å; L618-F620 HydrophobicContact CD1-CE2 4.25Å; L618-F620 HydrophobicContact CD1-CZ 4.04Å; F620-R622 VanDerWaalsContact C-N 3.26Å; F620-R622 PolarHBondContact O-N 3.29Å; F620-S634 WeakPolarHBondContact CD2-OG 3.41Å; F620-S634 WeakPolarHBondContact CE2-OG 3.46Å; F620-S676 PolarHBondContact N-OG 2.9Å; F620-S676 PolarHBondContact O-OG 2.93Å; F620-R677 HydrophobicContact CB-CG 3.66Å; F620-R677 HydrophobicContact CD2-CB 3.66Å; F620-R677 HydrophobicContact CD2-CG 3.53Å; F620-R677 HydrophobicContact CE2-CB 4.08Å; F620-R677 HydrophobicContact CE2-CG 4.35Å; F620-R677 HydrophobicContact CG-CB 4.36Å; F620-R677 HydrophobicContact CG-CG 3.73Å; F620-M679 HydrophobicContact CZ-SD 4.42Å
621	D	94.6	Very high	94.8	Very high	94 Å²	94	48.6 Å²	48.6	50%	0.503	26%	0.255	S	S	.	.	S	Bend	trans	64.2	21.8	170	-48.6	-43.7	0	0	0	115.9	R677	D621-R677 VanDerWaalsContact CG-NH2 3.29Å; D621-R677 IonicContact OD1-CZ 2.72Å; D621-R677 IonicContact OD1-NE 3.35Å; D621-R677 IonicContact OD1-NH2 2.78Å; D621-R677 PolarHBondContact OD1-NH2 2.87Å; D621-R677 IonicContact OD2-CZ 2.59Å; D621-R677 IonicContact OD2-NE 3.23Å; D621-R677 PolarHBondContact OD2-NE 2.75Å; D621-R677 IonicContact OD2-NH2 3.82Å; D621-R677 PolarHBondContact OD2-NH2 2.82Å; D621-R677 VanDerWaalsContact OD2-NH2 3.16Å
622	R	94.1	Very high	94.9	Very high	40 Å²	40	51.7 Å²	51.7	15%	0.151	27%	0.27	C	S	.	.			trans	-81.2	143	170.3	-69.9	175.5	-75.8	152.8	2	110.3	D574 H619 F620 P624 Q628	D574-R622 IonicContact OD1-CZ 3.68Å; D574-R622 IonicContact OD1-NH1 2.75Å; D574-R622 PolarHBondContact OD1-NH1 2.86Å; D574-R622 IonicContact OD1-NH2 3.74Å; D574-R622 PolarHBondContact OD1-NH2 2.95Å; D574-R622 IonicContact OD2-CZ 2.65Å; D574-R622 IonicContact OD2-NH1 2.74Å; D574-R622 PolarHBondContact OD2-NH1 3.21Å; D574-R622 IonicContact OD2-NH2 3.58Å; H619-R622 WeakPolarHBondContact ND1-CD 3.48Å; H619-R622 PolarHBondContact O-NE 2.87Å; H619-R622 PolarHBondContact O-NH2 3.08Å; F620-R622 VanDerWaalsContact C-N 3.26Å; F620-R622 PolarHBondContact O-N 3.29Å; R622-P624 WeakPolarHBondContact O-CD 3.25Å; R622-Q628 HydrophobicContact CB-CB 4.49Å; R622-Q628 WeakPolarHBondContact CD-O 3.26Å; R622-Q628 HydrophobicContact CG-CB 4.27Å; R622-Q628 PolarHBondContact NH1-O 3.43Å; R622-Q628 VanDerWaalsContact NH1-O 3.12Å
623	D	90	Very high	94.9	Very high	59 Å²	59	54 Å²	54	32%	0.316	28%	0.278	S	S	.	.			trans	-72.9	113.4	169.1	-176.8	-8.1	0	0	0	108.9	L625 Q626	D623-L625 PolarHBondContact O-N 3.19Å; D623-L625 WeakPolarHBondContact OD1-CB 3.32Å; D623-L625 PolarHBondContact OD1-N 2.8Å; D623-Q626 HydrophobicContact CB-CB 4.15Å; D623-Q626 HydrophobicContact CB-CG 3.94Å; D623-Q626 PolarHBondContact O-N 3.39Å; D623-Q626 VanDerWaalsContact O-N 3.08Å; D623-Q626 WeakPolarHBondContact OD2-CG 3.41Å; D623-Q626 PolarHBondContact OD2-NE2 2.84Å
624	P	86.8	Confident	94.9	Very high	62 Å²	62	54 Å²	54	40%	0.403	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-58.3	-30.1	-179.8	31.5	-44.3	0	0	0	112.5	E570 R622 Q626 K627	E570-P624 WeakPolarHBondContact OE2-CB 3.49Å; E570-P624 WeakPolarHBondContact OE2-CG 3.48Å; R622-P624 WeakPolarHBondContact O-CD 3.25Å; P624-Q626 VanDerWaalsContact C-N 3.25Å; P624-Q626 PolarHBondContact O-N 3.35Å; P624-K627 PolarHBondContact O-N 3.21Å
625	L	86.5	Confident	94.9	Very high	154 Å²	154	54 Å²	54	81%	0.806	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-72.6	-23.3	-178	-59	176.9	0	0	0	111.5	D623	D623-L625 PolarHBondContact O-N 3.19Å; D623-L625 WeakPolarHBondContact OD1-CB 3.32Å; D623-L625 PolarHBondContact OD1-N 2.8Å
626	Q	87.8	Confident	94.9	Very high	120 Å²	120	54 Å²	54	56%	0.561	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-89.6	-5.4	-178.9	-67	-175.9	8.6	0	0	113.8	D623 P624 Q628	D623-Q626 HydrophobicContact CB-CB 4.15Å; D623-Q626 HydrophobicContact CB-CG 3.94Å; D623-Q626 PolarHBondContact O-N 3.39Å; D623-Q626 VanDerWaalsContact O-N 3.08Å; D623-Q626 WeakPolarHBondContact OD2-CG 3.41Å; D623-Q626 PolarHBondContact OD2-NE2 2.84Å; P624-Q626 VanDerWaalsContact C-N 3.25Å; P624-Q626 PolarHBondContact O-N 3.35Å; Q626-Q628 HydrophobicContact CB-CG 3.96Å; Q626-Q628 PolarHBondContact O-N 2.94Å; Q626-Q628 VanDerWaalsContact O-N 3.13Å
627	K	86.4	Confident	94.9	Very high	191 Å²	191	54 Å²	54	83%	0.83	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	39.4	-179.8	-62.7	-174.6	178.1	-178.5	0	113.7	P624	P624-K627 PolarHBondContact O-N 3.21Å
628	Q	93.1	Very high	94.9	Very high	80 Å²	80	54 Å²	54	37%	0.374	28%	0.278	S	S	.	.			trans	-66.3	132.1	179.3	-64.7	179.4	-10.6	0	0	110.7	R622 Q626	R622-Q628 HydrophobicContact CB-CB 4.49Å; R622-Q628 WeakPolarHBondContact CD-O 3.26Å; R622-Q628 HydrophobicContact CG-CB 4.27Å; R622-Q628 PolarHBondContact NH1-O 3.43Å; R622-Q628 VanDerWaalsContact NH1-O 3.12Å; Q626-Q628 HydrophobicContact CB-CG 3.96Å; Q626-Q628 PolarHBondContact O-N 2.94Å; Q626-Q628 VanDerWaalsContact O-N 3.13Å
629	P	95.2	Very high	94.9	Very high	101 Å²	101	54 Å²	54	66%	0.656	28%	0.278	S	S	*	.			trans	-66.9	147.8	179.8	28	-34.5	0	0	0	111.8	C631	P629-C631 PolarHBondContact O-N 3.19Å
630	S	96.9	Very high	94.7	Very high	14 Å²	14	53.1 Å²	53.1	10%	0.098	27%	0.274	C	S	.	.			trans	-71.6	111.3	172.2	-159.1	0	0	0	0	109.7	D574 T576 H619	D574-S630 WeakPolarHBondContact OD2-CB 3.46Å; T576-S630 PolarHBondContact N-OG 3.04Å; T576-S630 VanDerWaalsContact N-OG 3.16Å; T576-S630 WeakPolarHBondContact OG1-CB 3.37Å; T576-S630 PolarHBondContact OG1-O 2.81Å; T576-S630 PolarHBondContact OG1-OG 2.8Å; H619-S630 VanDerWaalsContact CB-OG 3.3Å; H619-S630 WeakPolarHBondContact CB-OG 3.35Å
631	C	96.3	Very high	94.4	Very high	81 Å²	81	54.7 Å²	54.7	55%	0.547	28%	0.282	S	S	.	.			trans	-131.8	-14	-178.2	63.8	0	0	0	0	114.4	T576 H619 P629	T576-C631 PolarHBondContact OG1-N 3.16Å; T576-C631 VanDerWaalsContact OG1-N 3.14Å; H619-C631 PolarHBondContact ND1-N 3.17Å; P629-C631 PolarHBondContact O-N 3.19Å
632	Q	98.3	Very high	93.8	Very high	66 Å²	66	51 Å²	51	31%	0.308	26%	0.264	S	S	.	.			trans	-100.7	162.5	176.6	-62.2	-172.2	-14	0	0	111.7	T576 L618 H619 G674	T576-Q632 PolarHBondContact OG1-N 2.9Å; T576-Q632 PolarHBondContact OG1-O 3.46Å; L618-Q632 CarbonylContact C-O 3.56Å; H619-Q632 HydrophobicContact CB-CB 4.29Å; H619-Q632 PolarHBondContact NE2-OE1 3.11Å; Q632-G674 WeakPolarHBondContact CA-O 3.29Å; Q632-G674 WeakPolarHBondContact CB-O 3.31Å
633	R	98.7	Very high	92.7	Very high	49 Å²	49	54.1 Å²	54.1	19%	0.185	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	160.5	-178.2	-69	174.8	-179.2	77.1	4.2	110.5	T576 P577 T578 L615 T616 L618 G674 I675 S676	T576-R633 HydrophobicContact CG2-CG 4.35Å; P577-R633 PolarHBondContact O-NH2 2.9Å; T578-R633 PolarHBondContact OG1-NE 3.15Å; T578-R633 PolarHBondContact OG1-NH2 3.13Å; T578-R633 VanDerWaalsContact OG1-NH2 3.11Å; L615-R633 HydrophobicContact CD1-CB 3.77Å; L615-R633 HydrophobicContact CG-CB 4.05Å; T616-R633 CarbonylContact O-C 3.44Å; T616-R633 WeakPolarHBondContact O-CA 3.31Å; T616-R633 VanDerWaalsContact O-CB 3.24Å; T616-R633 WeakPolarHBondContact O-CB 3.49Å; L618-R633 CarbonylContact O-C 3.55Å; R633-G674 PolarHBondContact N-O 3.36Å; R633-I675 CarbonylContact O-C 3.46Å; R633-I675 VanDerWaalsContact O-CA 3.28Å; R633-I675 WeakPolarHBondContact O-CA 3.49Å; R633-S676 PolarHBondContact O-N 2.77Å
634	S	98.9	Very high	91.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	148.1	178.8	-64.6	0	0	0	0	111	T616 L618 F620 R677	T616-S634 PolarHBondContact N-O 3.4Å; T616-S634 PolarHBondContact O-N 3.14Å; T616-S634 WeakPolarHBondContact OG1-CB 3.3Å; T616-S634 PolarHBondContact OG1-O 3.5Å; L618-S634 PolarHBondContact O-N 2.9Å; L618-S634 PolarHBondContact O-OG 2.91Å; F620-S634 WeakPolarHBondContact CD2-OG 3.41Å; F620-S634 WeakPolarHBondContact CE2-OG 3.46Å; S634-R677 CarbonylContact C-O 3.51Å; S634-R677 WeakPolarHBondContact CA-O 3.16Å; S634-R677 WeakPolarHBondContact CB-O 3.37Å; S634-R677 PolarHBondContact OG-N 3.36Å
635	V	98.9	Very high	90.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	138	-176.2	176	0	0	0	0	110.2	A591 V613 I614 L615 I669 I675 R677 I678 M679	A591-V635 HydrophobicContact CB-CG1 4.34Å; A591-V635 HydrophobicContact CB-CG2 4.1Å; V613-V635 HydrophobicContact CG1-CG1 3.54Å; I614-V635 CarbonylContact O-C 3.11Å; I614-V635 VanDerWaalsContact O-CA 3.27Å; I614-V635 WeakPolarHBondContact O-CA 3.48Å; L615-V635 HydrophobicContact CD1-CG2 3.77Å; V635-I669 HydrophobicContact CB-CG2 3.98Å; V635-I669 HydrophobicContact CG1-CG2 4.07Å; V635-I669 HydrophobicContact CG2-CG2 3.85Å; V635-I675 HydrophobicContact CG2-CD1 3.67Å; V635-I675 HydrophobicContact CG2-CG1 4.29Å; V635-I675 HydrophobicContact CG2-CG2 4.26Å; V635-R677 PolarHBondContact N-O 2.76Å; V635-I678 HydrophobicContact CB-CD1 4.07Å; V635-I678 CarbonylContact O-C 3.59Å; V635-I678 WeakPolarHBondContact O-CA 3.34Å; V635-M679 PolarHBondContact O-N 3.39Å
636	V	98.9	Very high	89.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.1	170.9	-173.8	0	0	0	0	109.3	V613 I614 T616 M679 D681 W692	V613-V636 WeakPolarHBondContact CA-O 3.31Å; I614-V636 HydrophobicContact CB-CB 4.14Å; I614-V636 HydrophobicContact CD1-CB 4.22Å; I614-V636 HydrophobicContact CD1-CG1 4.41Å; I614-V636 PolarHBondContact N-O 3.23Å; I614-V636 PolarHBondContact O-N 3.37Å; T616-V636 HydrophobicContact CG2-CG2 3.74Å; V636-M679 CarbonylContact C-O 3.58Å; V636-M679 WeakPolarHBondContact CA-O 3.5Å; V636-M679 HydrophobicContact CB-CB 4.37Å; V636-M679 HydrophobicContact CG1-CB 4.39Å; V636-M679 HydrophobicContact CG2-CB 3.98Å; V636-M679 HydrophobicContact CG2-CE 3.64Å; V636-M679 HydrophobicContact CG2-SD 4.46Å; V636-D681 HydrophobicContact CG1-CB 3.99Å; V636-W692 HydrophobicContact CB-CH2 4.46Å; V636-W692 HydrophobicContact CB-CZ2 4.21Å; V636-W692 HydrophobicContact CG1-CH2 4.27Å; V636-W692 HydrophobicContact CG1-CZ2 3.64Å; V636-W692 HydrophobicContact CG2-CH2 3.58Å; V636-W692 HydrophobicContact CG2-CZ2 3.8Å; V636-W692 HydrophobicContact CG2-CZ3 4.1Å
637	I	98.8	Very high	88.7	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	116.2	165.2	-58.9	166.5	0	0	0	107	M611 T639 M665 V666 I669 I678 M679 Y680 D681	M611-I637 HydrophobicContact CG-CG2 4.34Å; M611-I637 HydrophobicContact SD-CG2 4.02Å; I637-T639 HydrophobicContact CG2-CG2 4.28Å; I637-M665 HydrophobicContact CD1-CB 3.74Å; I637-M665 HydrophobicContact CD1-SD 4.14Å; I637-M665 HydrophobicContact CG2-SD 4.3Å; I637-V666 HydrophobicContact CD1-CG2 4.46Å; I637-I669 HydrophobicContact CD1-CD1 4.25Å; I637-I669 HydrophobicContact CG1-CD1 4.34Å; I637-I678 HydrophobicContact CD1-CG2 3.92Å; I637-I678 HydrophobicContact CG1-CG2 4.29Å; I637-M679 PolarHBondContact N-O 3.08Å; I637-Y680 HydrophobicContact CB-CD2 4.2Å; I637-Y680 HydrophobicContact CG2-CD2 4.24Å; I637-Y680 HydrophobicContact CG2-CE2 4.09Å; I637-D681 PolarHBondContact O-N 2.88Å
638	R	98.3	Very high	88.4	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.235	C	C	.	.			trans	-112.6	95.4	177	-169.8	-72.4	-175.2	-82.4	-12.3	108.5	M611 P612 I614 F640 D681 T683 T689 T690	M611-R638 CarbonylContact C-O 3.55Å; M611-R638 VanDerWaalsContact CA-O 3.23Å; M611-R638 WeakPolarHBondContact CA-O 3.49Å; P612-R638 HydrophobicContact CB-CB 4.16Å; P612-R638 WeakPolarHBondContact CD-O 3.4Å; P612-R638 WeakPolarHBondContact O-CA 3.23Å; P612-R638 WeakPolarHBondContact O-CB 3.21Å; P612-R638 PolarHBondContact O-N 2.78Å; I614-R638 HydrophobicContact CD1-CB 3.72Å; R638-F640 VanDerWaalsContact NH1-CD2 3.29Å; R638-F640 VanDerWaalsContact NH2-CE2 3.3Å; R638-D681 HydrophobicContact CB-CB 4.02Å; R638-D681 HydrophobicContact CG-CB 3.82Å; R638-D681 WeakPolarHBondContact CG-OD2 3.44Å; R638-T683 PolarHBondContact NH1-O 3.18Å; R638-T683 PolarHBondContact NH2-O 3.2Å; R638-T689 PolarHBondContact NH2-O 3.2Å; R638-T690 VanDerWaalsContact CD-O 3.28Å; R638-T690 WeakPolarHBondContact CD-O 3.42Å; R638-T690 PolarHBondContact NE-O 2.7Å
639	T	97.9	Very high	88.2	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.233	C	C	.	.			trans	-77	142.9	168.3	56.9	0	0	0	0	109.4	I608 M611 I637 P650 A651 Y680	I608-T639 HydrophobicContact CD1-CG2 3.74Å; M611-T639 HydrophobicContact CG-CG2 4.29Å; M611-T639 HydrophobicContact SD-CG2 4.25Å; I637-T639 HydrophobicContact CG2-CG2 4.28Å; T639-P650 WeakPolarHBondContact O-CA 3.3Å; T639-A651 HydrophobicContact CG2-CB 4.26Å; T639-A651 WeakPolarHBondContact OG1-CB 3.33Å; T639-A651 PolarHBondContact OG1-N 3.14Å; T639-A651 PolarHBondContact OG1-O 3.16Å; T639-Y680 HydrophobicContact CG2-CE2 4.15Å; T639-Y680 WeakPolarHBondContact CG2-OH 3.41Å; T639-Y680 PolarHBondContact OG1-OH 3.44Å
640	F	95.1	Very high	88.3	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-144.6	129.3	177.9	-164.5	-121.9	0	0	0	111.9	I608 S609 Q610 R638 T642 F645 G648 I649 K685 T690	I608-F640 WeakPolarHBondContact CG2-O 3.46Å; S609-F640 WeakPolarHBondContact CA-O 3.3Å; S609-F640 WeakPolarHBondContact CB-O 3.48Å; S609-F640 PolarHBondContact N-O 2.83Å; Q610-F640 PolarHBondContact N-O 2.93Å; Q610-F640 VanDerWaalsContact N-O 3.11Å; Q610-F640 PolarHBondContact O-N 2.81Å; R638-F640 VanDerWaalsContact NH1-CD2 3.29Å; R638-F640 VanDerWaalsContact NH2-CE2 3.3Å; F640-T642 HydrophobicContact CD1-CG2 3.8Å; F640-T642 HydrophobicContact CE1-CG2 3.66Å; F640-F645 HydrophobicContact CD1-CD1 4.49Å; F640-F645 HydrophobicContact CE1-CD1 4.33Å; F640-G648 VanDerWaalsContact CE2-C 3.43Å; F640-I649 WeakPolarHBondContact CA-O 3.39Å; F640-I649 WeakPolarHBondContact CD2-O 3.39Å; F640-K685 HydrophobicContact CE2-CB 3.93Å; F640-K685 HydrophobicContact CZ-CB 3.74Å; F640-K685 HydrophobicContact CZ-CD 4.24Å; F640-T690 HydrophobicContact CB-CG2 4.13Å; F640-T690 HydrophobicContact CD1-CG2 3.46Å; F640-T690 VanDerWaalsContact CD1-CG2 3.46Å; F640-T690 WeakPolarHBondContact CD1-OG1 3.25Å; F640-T690 HydrophobicContact CE1-CG2 4.03Å; F640-T690 WeakPolarHBondContact CE1-OG1 3.37Å; F640-T690 HydrophobicContact CG-CG2 3.95Å
641	I	91.5	Very high	88.3	Confident	37 Å²	37	35.5 Å²	35.5	19%	0.19	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-117.1	125.2	178.2	-55.6	176.3	0	0	0	107.7	G648 I649 A651 E656	I641-G648 CarbonylContact O-C 3.52Å; I641-G648 WeakPolarHBondContact O-CA 3.47Å; I641-I649 HydrophobicContact CB-CG1 4.04Å; I641-I649 PolarHBondContact N-O 3.5Å; I641-I649 PolarHBondContact O-N 3.22Å; I641-A651 HydrophobicContact CD1-CB 3.92Å; I641-A651 HydrophobicContact CG1-CB 4.4Å; I641-E656 HydrophobicContact CD1-CB 3.61Å; I641-E656 HydrophobicContact CD1-CG 3.6Å
642	T	80.5	Confident	88.3	Confident	18 Å²	18	32.6 Å²	32.6	11%	0.11	18%	0.177	C	C	.	.			trans	-157.2	151.3	-177.5	-178.9	0	0	0	0	111.3	S609 F640 D644 F645 T647	S609-T642 PolarHBondContact OG-N 2.8Å; S609-T642 PolarHBondContact OG-O 3.27Å; F640-T642 HydrophobicContact CD1-CG2 3.8Å; F640-T642 HydrophobicContact CE1-CG2 3.66Å; T642-D644 PolarHBondContact OG1-N 2.83Å; T642-F645 HydrophobicContact CG2-CB 4.38Å; T642-F645 HydrophobicContact CG2-CD1 3.53Å; T642-F645 HydrophobicContact CG2-CD2 3.94Å; T642-F645 HydrophobicContact CG2-CE1 3.62Å; T642-F645 HydrophobicContact CG2-CE2 4.02Å; T642-F645 HydrophobicContact CG2-CG 3.69Å; T642-F645 HydrophobicContact CG2-CZ 3.86Å; T642-F645 VanDerWaalsContact OG1-CA 3.3Å; T642-F645 WeakPolarHBondContact OG1-CA 3.45Å; T642-F645 PolarHBondContact OG1-N 2.93Å; T642-T647 VanDerWaalsContact CB-O 3.23Å; T642-T647 WeakPolarHBondContact CB-O 3.29Å; T642-T647 PolarHBondContact OG1-O 2.84Å
643	S	72.1	Confident	88.3	Confident	105 Å²	105	29.7 Å²	29.7	73%	0.734	16%	0.164	S	C	*	.	S	Bend	trans	-94.9	-24.9	172.8	-63.8	0	0	0	0	113.4
644	D	63	Low	88.1	Confident	71 Å²	71	30.1 Å²	30.1	38%	0.38	18%	0.184	S	C	.	.	S	Bend	trans	-140.6	-1.8	-168.8	64.9	3.5	0	0	0	114.6	T642 M646 T647	T642-D644 PolarHBondContact OG1-N 2.83Å; D644-M646 PolarHBondContact O-N 3.24Å; D644-M646 PolarHBondContact OD1-N 2.84Å; D644-T647 PolarHBondContact OD1-N 3.04Å
645	F	68.9	Low	87.8	Confident	71 Å²	71	35.2 Å²	35.2	31%	0.311	21%	0.211	S	C	.	.	S	Bend	trans	58.7	4.5	-171.3	-66	-90.4	0	0	0	115.7	P437 Q610 F640 T642 K685	P437-F645 HydrophobicContact CG-CE2 4.41Å; P437-F645 HydrophobicContact CG-CZ 3.85Å; Q610-F645 HydrophobicContact CB-CE1 4.32Å; F640-F645 HydrophobicContact CD1-CD1 4.49Å; F640-F645 HydrophobicContact CE1-CD1 4.33Å; T642-F645 HydrophobicContact CG2-CB 4.38Å; T642-F645 HydrophobicContact CG2-CD1 3.53Å; T642-F645 HydrophobicContact CG2-CD2 3.94Å; T642-F645 HydrophobicContact CG2-CE1 3.62Å; T642-F645 HydrophobicContact CG2-CE2 4.02Å; T642-F645 HydrophobicContact CG2-CG 3.69Å; T642-F645 HydrophobicContact CG2-CZ 3.86Å; T642-F645 VanDerWaalsContact OG1-CA 3.3Å; T642-F645 WeakPolarHBondContact OG1-CA 3.45Å; T642-F645 PolarHBondContact OG1-N 2.93Å; F645-K685 PolarHBondContact O-NZ 2.87Å
646	M	65.3	Low	87.6	Confident	95 Å²	95	37.7 Å²	37.7	47%	0.468	22%	0.222	S	C	.	.	S	Bend	trans	-83.5	-41.3	173.4	-63.8	-58.6	-136.6	0	0	110.9	E375 D644 K685	E375-M646 WeakPolarHBondContact OE1-CE 3.33Å; D644-M646 PolarHBondContact O-N 3.24Å; D644-M646 PolarHBondContact OD1-N 2.84Å; M646-K685 VanDerWaalsContact O-CD 3.25Å; M646-K685 WeakPolarHBondContact O-CD 3.5Å; M646-K685 WeakPolarHBondContact O-CE 3.39Å; M646-K685 WeakPolarHBondContact O-CG 3.5Å
647	T	70.5	Confident	87.5	Confident	75 Å²	75	37.7 Å²	37.7	46%	0.46	22%	0.222	S	C	.	.	S	Bend	trans	-126.8	158	171.6	60.4	0	0	0	0	110.3	T642 D644 K685	T642-T647 VanDerWaalsContact CB-O 3.23Å; T642-T647 WeakPolarHBondContact CB-O 3.29Å; T642-T647 PolarHBondContact OG1-O 2.84Å; D644-T647 PolarHBondContact OD1-N 3.04Å; T647-K685 WeakPolarHBondContact CA-O 3.45Å
648	G	79.1	Confident	87.5	Confident	10 Å²	10	38.7 Å²	38.7	10%	0.103	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-179.8	168.6	175.2	0	0	0	0	0	113.8	F640 I641 S684 K685	F640-G648 VanDerWaalsContact CE2-C 3.43Å; I641-G648 CarbonylContact O-C 3.52Å; I641-G648 WeakPolarHBondContact O-CA 3.47Å; G648-S684 CarbonylContact O-C 3.49Å; G648-S684 WeakPolarHBondContact O-CA 3.41Å; G648-S684 WeakPolarHBondContact O-CB 3.4Å; G648-K685 PolarHBondContact N-O 2.83Å; G648-K685 VanDerWaalsContact N-O 3.1Å; G648-K685 PolarHBondContact O-N 2.77Å
649	I	89.9	Confident	87.4	Confident	66 Å²	66	41 Å²	41	34%	0.338	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-123.1	153.3	-176.4	61.6	174.6	0	0	0	110.1	F640 I641	F640-I649 WeakPolarHBondContact CA-O 3.39Å; F640-I649 WeakPolarHBondContact CD2-O 3.39Å; I641-I649 HydrophobicContact CB-CG1 4.04Å; I641-I649 PolarHBondContact N-O 3.5Å; I641-I649 PolarHBondContact O-N 3.22Å
650	P	95.6	Very high	87.4	Confident	2 Å²	2	48 Å²	48	1%	0.013	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-64.4	154.7	161.8	34.5	-39.2	0	0	0	109.9	I544 T639 D681 L682	I544-P650 HydrophobicContact CD1-CG 3.54Å; T639-P650 WeakPolarHBondContact O-CA 3.3Å; P650-D681 WeakPolarHBondContact CB-O 3.45Å; P650-L682 WeakPolarHBondContact CG-O 3.39Å
651	A	96.9	Very high	87.6	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-71.3	132.2	164.2	0	0	0	0	0	107.9	I608 T639 I641 P653 E656 I657 Y680	I608-A651 HydrophobicContact CD1-CB 4.08Å; I608-A651 HydrophobicContact CG1-CB 4.19Å; T639-A651 HydrophobicContact CG2-CB 4.26Å; T639-A651 WeakPolarHBondContact OG1-CB 3.33Å; T639-A651 PolarHBondContact OG1-N 3.14Å; T639-A651 PolarHBondContact OG1-O 3.16Å; I641-A651 HydrophobicContact CD1-CB 3.92Å; I641-A651 HydrophobicContact CG1-CB 4.4Å; A651-P653 WeakPolarHBondContact O-CD 3.49Å; A651-E656 HydrophobicContact CB-CB 4.24Å; A651-I657 HydrophobicContact CB-CB 4.37Å; A651-I657 HydrophobicContact CB-CG2 3.8Å; A651-Y680 WeakPolarHBondContact O-CE1 3.42Å; A651-Y680 PolarHBondContact O-OH 2.68Å
652	T	97.2	Very high	87.9	Confident	20 Å²	20	46.7 Å²	46.7	12%	0.123	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-87.1	119	176.1	-51.5	0	0	0	0	107.9	W540 I544 G654 N655 E656	W540-T652 HydrophobicContact CB-CG2 3.76Å; I544-T652 HydrophobicContact CG1-CG2 4.17Å; T652-G654 PolarHBondContact O-N 2.8Å; T652-N655 WeakPolarHBondContact O-CB 3.3Å; T652-N655 PolarHBondContact O-N 2.85Å; T652-E656 PolarHBondContact N-OE2 3.14Å; T652-E656 PolarHBondContact O-N 3.11Å
653	P	97.8	Very high	88.7	Confident	4 Å²	4	49.5 Å²	49.5	3%	0.026	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-60.4	130.4	177.1	-22	33.7	0	0	0	111	W540 A651 I657 V659 V662 Y680	W540-P653 HydrophobicContact CD2-CB 3.78Å; W540-P653 HydrophobicContact CD2-CG 3.63Å; W540-P653 HydrophobicContact CE3-CB 4.35Å; W540-P653 HydrophobicContact CE3-CG 3.68Å; W540-P653 HydrophobicContact CG-CB 4.06Å; W540-P653 HydrophobicContact CG-CG 4.27Å; W540-P653 HydrophobicContact CH2-CG 3.97Å; W540-P653 HydrophobicContact CZ2-CB 3.99Å; W540-P653 HydrophobicContact CZ2-CG 3.9Å; W540-P653 HydrophobicContact CZ3-CG 3.85Å; A651-P653 WeakPolarHBondContact O-CD 3.49Å; P653-I657 CarbonylContact C-O 3.43Å; P653-I657 WeakPolarHBondContact CA-O 3.13Å; P653-V659 HydrophobicContact CB-CG2 4.16Å; P653-V662 HydrophobicContact CB-CG2 4.2Å; P653-V662 HydrophobicContact CG-CG2 4.15Å; P653-Y680 HydrophobicContact CG-CE1 4Å; P653-Y680 HydrophobicContact CG-CE2 4.09Å
654	G	94.9	Very high	90	Very high	58 Å²	58	49.4 Å²	49.4	60%	0.598	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.3	-8.9	-171	0	0	0	0	0	114.3	T652 I657	T652-G654 PolarHBondContact O-N 2.8Å; G654-I657 PolarHBondContact N-O 3.07Å
655	N	93.3	Very high	91.7	Very high	108 Å²	108	46 Å²	46	58%	0.578	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	-91.4	174.7	-164.8	-26.8	0	0	0	110.3	T652 I657	T652-N655 WeakPolarHBondContact O-CB 3.3Å; T652-N655 PolarHBondContact O-N 2.85Å; N655-I657 VanDerWaalsContact C-N 3.3Å; N655-I657 PolarHBondContact O-N 2.96Å
656	E	94.4	Very high	93.1	Very high	51 Å²	51	43.7 Å²	43.7	24%	0.238	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-19.3	-176.3	-55.3	83.6	-176.9	0	0	113.5	I641 A651 T652	I641-E656 HydrophobicContact CD1-CB 3.61Å; I641-E656 HydrophobicContact CD1-CG 3.6Å; A651-E656 HydrophobicContact CB-CB 4.24Å; T652-E656 PolarHBondContact N-OE2 3.14Å; T652-E656 PolarHBondContact O-N 3.11Å
657	I	96.3	Very high	94.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-134.6	137	174.7	-171.1	171.7	0	0	0	110	L599 I608 A651 P653 G654 N655 V661 V662 M665	L599-I657 HydrophobicContact CD1-CD1 3.75Å; I608-I657 HydrophobicContact CD1-CB 4.38Å; I608-I657 HydrophobicContact CD1-CD1 3.83Å; A651-I657 HydrophobicContact CB-CB 4.37Å; A651-I657 HydrophobicContact CB-CG2 3.8Å; P653-I657 CarbonylContact C-O 3.43Å; P653-I657 WeakPolarHBondContact CA-O 3.13Å; G654-I657 PolarHBondContact N-O 3.07Å; N655-I657 VanDerWaalsContact C-N 3.3Å; N655-I657 PolarHBondContact O-N 2.96Å; I657-V661 HydrophobicContact CD1-CG1 3.96Å; I657-V661 HydrophobicContact CG1-CB 4.29Å; I657-V661 HydrophobicContact CG1-CG1 4.19Å; I657-V662 HydrophobicContact CD1-CG2 3.95Å; I657-V662 HydrophobicContact CG1-CG2 4.28Å; I657-V662 HydrophobicContact CG2-CG2 3.98Å; I657-M665 HydrophobicContact CD1-CE 4.48Å
658	P	98.1	Very high	96	Very high	22 Å²	22	42 Å²	42	14%	0.143	23%	0.234	C	C	.	.			trans	-63	142.1	177.9	-22.4	33.2	0	0	0	112.4	Y604 E660 V661 V662	Y604-P658 HydrophobicContact CD1-CG 4.33Å; Y604-P658 HydrophobicContact CD2-CG 3.99Å; Y604-P658 HydrophobicContact CE1-CG 3.81Å; Y604-P658 HydrophobicContact CE2-CG 3.44Å; Y604-P658 VanDerWaalsContact CE2-CG 3.44Å; Y604-P658 HydrophobicContact CG-CG 4.41Å; P658-E660 VanDerWaalsContact C-N 3.26Å; P658-E660 HydrophobicContact CB-CG 3.81Å; P658-E660 PolarHBondContact O-N 3.29Å; P658-V661 HydrophobicContact CB-CB 4.43Å; P658-V661 HydrophobicContact CB-CG2 3.97Å; P658-V661 HydrophobicContact CG-CG2 4.01Å; P658-V661 PolarHBondContact O-N 3.18Å; P658-V662 PolarHBondContact O-N 2.77Å
659	V	97.9	Very high	96.9	Very high	48 Å²	48	41.5 Å²	41.5	29%	0.291	23%	0.229	S	C	.	.	H	α-helix	trans	-57.2	-42.7	176.8	-179.1	0	0	0	0	110.9	P653 V661 V662 L663	P653-V659 HydrophobicContact CB-CG2 4.16Å; V659-V661 VanDerWaalsContact C-N 3.27Å; V659-V661 PolarHBondContact O-N 2.96Å; V659-V662 PolarHBondContact O-N 3.32Å; V659-V662 VanDerWaalsContact O-N 3.17Å; V659-L663 HydrophobicContact CG1-CD1 3.82Å; V659-L663 HydrophobicContact CG1-CG 4.08Å; V659-L663 WeakPolarHBondContact O-CG 3.1Å; V659-L663 PolarHBondContact O-N 2.78Å
660	E	97.8	Very high	97.3	Very high	147 Å²	147	42.8 Å²	42.8	69%	0.687	23%	0.232	S	C	*	.	H	α-helix	trans	-58.5	-36.1	179.9	62.3	-178.8	-174	0	0	113.3	P658 L663 K664	P658-E660 VanDerWaalsContact C-N 3.26Å; P658-E660 HydrophobicContact CB-CG 3.81Å; P658-E660 PolarHBondContact O-N 3.29Å; E660-L663 PolarHBondContact O-N 3.26Å; E660-K664 WeakPolarHBondContact O-CB 3.47Å; E660-K664 PolarHBondContact O-N 2.76Å
661	V	98.3	Very high	97.4	Very high	9 Å²	9	49.1 Å²	49.1	6%	0.055	26%	0.26	C	S	.	.	H	α-helix	trans	-66.8	-44.6	179.3	172.1	0	0	0	0	109.6	I598 I657 P658 V659 K664 M665	I598-V661 HydrophobicContact CG2-CG1 4.06Å; I657-V661 HydrophobicContact CD1-CG1 3.96Å; I657-V661 HydrophobicContact CG1-CB 4.29Å; I657-V661 HydrophobicContact CG1-CG1 4.19Å; P658-V661 HydrophobicContact CB-CB 4.43Å; P658-V661 HydrophobicContact CB-CG2 3.97Å; P658-V661 HydrophobicContact CG-CG2 4.01Å; P658-V661 PolarHBondContact O-N 3.18Å; V659-V661 VanDerWaalsContact C-N 3.27Å; V659-V661 PolarHBondContact O-N 2.96Å; V661-K664 PolarHBondContact O-N 3.09Å; V661-M665 HydrophobicContact CG1-CE 3.87Å; V661-M665 WeakPolarHBondContact O-CG 3.44Å; V661-M665 PolarHBondContact O-N 2.93Å; V661-M665 VanDerWaalsContact O-N 3.11Å
662	V	98.3	Very high	97.5	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.3	-44.7	176.7	179.2	0	0	0	0	111	F564 P653 I657 P658 V659 K664 M665 V666 Y680	F564-V662 HydrophobicContact CE2-CG1 4.39Å; F564-V662 HydrophobicContact CZ-CG1 3.71Å; P653-V662 HydrophobicContact CB-CG2 4.2Å; P653-V662 HydrophobicContact CG-CG2 4.15Å; I657-V662 HydrophobicContact CD1-CG2 3.95Å; I657-V662 HydrophobicContact CG1-CG2 4.28Å; I657-V662 HydrophobicContact CG2-CG2 3.98Å; P658-V662 PolarHBondContact O-N 2.77Å; V659-V662 PolarHBondContact O-N 3.32Å; V659-V662 VanDerWaalsContact O-N 3.17Å; V662-K664 VanDerWaalsContact C-N 3.3Å; V662-K664 PolarHBondContact O-N 3.41Å; V662-M665 WeakPolarHBondContact O-CB 3.42Å; V662-M665 PolarHBondContact O-N 2.69Å; V662-M665 VanDerWaalsContact O-N 3.14Å; V662-V666 WeakPolarHBondContact O-CG2 3.05Å; V662-V666 PolarHBondContact O-N 3.26Å; V662-Y680 HydrophobicContact CB-CE2 4.42Å; V662-Y680 HydrophobicContact CG1-CD2 3.62Å; V662-Y680 HydrophobicContact CG1-CE2 3.58Å; V662-Y680 HydrophobicContact CG2-CE2 3.88Å
663	L	98.1	Very high	97.6	Very high	77 Å²	77	54.5 Å²	54.5	40%	0.403	29%	0.294	S	S	.	.	H	α-helix	trans	-64.7	-33.3	177.8	-68.3	179.5	0	0	0	112.7	F564 V659 E660 V666 T667	F564-L663 HydrophobicContact CD1-CD2 4.27Å; F564-L663 HydrophobicContact CE1-CD2 3.97Å; V659-L663 HydrophobicContact CG1-CD1 3.82Å; V659-L663 HydrophobicContact CG1-CG 4.08Å; V659-L663 WeakPolarHBondContact O-CG 3.1Å; V659-L663 PolarHBondContact O-N 2.78Å; E660-L663 PolarHBondContact O-N 3.26Å; L663-V666 WeakPolarHBondContact O-CB 3.49Å; L663-V666 PolarHBondContact O-N 3.05Å; L663-T667 PolarHBondContact O-N 3.17Å; L663-T667 PolarHBondContact O-OG1 3.43Å
664	K	98.5	Very high	97.5	Very high	104 Å²	104	56.1 Å²	56.1	45%	0.452	31%	0.311	S	S	.	.	H	α-helix	trans	-63.7	-43.5	171.7	-169	178.5	176.6	-171.6	0	111.1	I598 E660 V661 V662 V666 T667 E668	I598-K664 HydrophobicContact CD1-CG 4.13Å; I598-K664 HydrophobicContact CG1-CD 4.41Å; I598-K664 HydrophobicContact CG1-CG 4.4Å; I598-K664 HydrophobicContact CG2-CB 4.15Å; I598-K664 HydrophobicContact CG2-CD 4.05Å; I598-K664 HydrophobicContact CG2-CG 4.2Å; E660-K664 WeakPolarHBondContact O-CB 3.47Å; E660-K664 PolarHBondContact O-N 2.76Å; V661-K664 PolarHBondContact O-N 3.09Å; V662-K664 VanDerWaalsContact C-N 3.3Å; V662-K664 PolarHBondContact O-N 3.41Å; K664-V666 VanDerWaalsContact C-N 3.34Å; K664-V666 PolarHBondContact O-N 3.42Å; K664-T667 PolarHBondContact O-N 3.3Å; K664-E668 PolarHBondContact O-N 3Å
665	M	98.6	Very high	97.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.5	-46.2	172.9	-62.8	172.9	-174.5	0	0	111.5	A595 I598 L599 M611 I637 I657 V661 V662 T667 E668 I669	A595-M665 HydrophobicContact CB-SD 4.45Å; A595-M665 WeakPolarHBondContact O-CE 3.33Å; I598-M665 HydrophobicContact CB-CE 4.49Å; I598-M665 HydrophobicContact CB-CG 4.04Å; I598-M665 HydrophobicContact CD1-CB 4.44Å; I598-M665 HydrophobicContact CD1-CG 4.13Å; I598-M665 HydrophobicContact CG2-CE 4.21Å; I598-M665 HydrophobicContact CG2-CG 3.79Å; L599-M665 HydrophobicContact CB-CE 3.65Å; L599-M665 HydrophobicContact CD1-CE 4.27Å; L599-M665 HydrophobicContact CG-CE 4.45Å; M611-M665 HydrophobicContact CE-CE 4.22Å; M611-M665 HydrophobicContact SD-CE 4.06Å; M611-M665 HydrophobicContact SD-SD 4.21Å; I637-M665 HydrophobicContact CD1-CB 3.74Å; I637-M665 HydrophobicContact CD1-SD 4.14Å; I637-M665 HydrophobicContact CG2-SD 4.3Å; I657-M665 HydrophobicContact CD1-CE 4.48Å; V661-M665 HydrophobicContact CG1-CE 3.87Å; V661-M665 WeakPolarHBondContact O-CG 3.44Å; V661-M665 PolarHBondContact O-N 2.93Å; V661-M665 VanDerWaalsContact O-N 3.11Å; V662-M665 WeakPolarHBondContact O-CB 3.42Å; V662-M665 PolarHBondContact O-N 2.69Å; V662-M665 VanDerWaalsContact O-N 3.14Å; M665-T667 VanDerWaalsContact C-N 3.29Å; M665-T667 PolarHBondContact O-N 3.44Å; M665-E668 PolarHBondContact O-N 3.45Å; M665-I669 HydrophobicContact CB-CD1 4.2Å; M665-I669 WeakPolarHBondContact O-CB 3.26Å; M665-I669 WeakPolarHBondContact O-CD1 3.37Å; M665-I669 WeakPolarHBondContact O-CG1 3.47Å; M665-I669 PolarHBondContact O-N 3.21Å
666	V	98.4	Very high	97.9	Very high	21 Å²	21	48.8 Å²	48.8	13%	0.127	26%	0.258	C	S	.	.	H	α-helix	trans	-56.7	-46.1	177.6	172.3	0	0	0	0	110.9	F564 I637 V662 L663 K664 K670 I678	F564-V666 HydrophobicContact CB-CG1 3.97Å; F564-V666 HydrophobicContact CB-CG2 4.45Å; F564-V666 HydrophobicContact CD1-CG2 4Å; F564-V666 HydrophobicContact CD2-CG1 4.42Å; F564-V666 HydrophobicContact CD2-CG2 3.43Å; F564-V666 VanDerWaalsContact CD2-CG2 3.43Å; F564-V666 HydrophobicContact CE1-CG2 4.01Å; F564-V666 HydrophobicContact CE2-CG2 3.42Å; F564-V666 VanDerWaalsContact CE2-CG2 3.42Å; F564-V666 HydrophobicContact CG-CG1 4.1Å; F564-V666 HydrophobicContact CG-CG2 3.72Å; F564-V666 HydrophobicContact CZ-CG2 3.73Å; I637-V666 HydrophobicContact CD1-CG2 4.46Å; V662-V666 WeakPolarHBondContact O-CG2 3.05Å; V662-V666 PolarHBondContact O-N 3.26Å; L663-V666 WeakPolarHBondContact O-CB 3.49Å; L663-V666 PolarHBondContact O-N 3.05Å; K664-V666 VanDerWaalsContact C-N 3.34Å; K664-V666 PolarHBondContact O-N 3.42Å; V666-K670 WeakPolarHBondContact O-CB 3.49Å; V666-K670 PolarHBondContact O-N 3.2Å; V666-K670 VanDerWaalsContact O-N 3.09Å; V666-I678 HydrophobicContact CB-CG2 4.48Å; V666-I678 HydrophobicContact CG1-CB 4.13Å; V666-I678 HydrophobicContact CG1-CG1 4.06Å; V666-I678 HydrophobicContact CG2-CB 4.24Å; V666-I678 HydrophobicContact CG2-CG2 3.9Å
667	T	98.3	Very high	98.1	Very high	76 Å²	76	46.4 Å²	46.4	47%	0.466	25%	0.247	S	C	.	.	H	α-helix	trans	-64.5	-46.6	-177.9	-59.1	0	0	0	0	112.1	L663 K664 M665	L663-T667 PolarHBondContact O-N 3.17Å; L663-T667 PolarHBondContact O-OG1 3.43Å; K664-T667 PolarHBondContact O-N 3.3Å; M665-T667 VanDerWaalsContact C-N 3.29Å; M665-T667 PolarHBondContact O-N 3.44Å
668	E	98.5	Very high	98.3	Very high	58 Å²	58	46.6 Å²	46.6	27%	0.271	25%	0.248	S	C	.	.	H	α-helix	trans	-73.4	-42.4	-177.7	-63.7	-47.9	129	0	0	112.4	I598 K664 M665 K670 K671	I598-E668 HydrophobicContact CD1-CB 4.02Å; I598-E668 HydrophobicContact CD1-CG 3.88Å; K664-E668 PolarHBondContact O-N 3Å; M665-E668 PolarHBondContact O-N 3.45Å; E668-K670 VanDerWaalsContact C-N 3.28Å; E668-K670 PolarHBondContact O-N 2.8Å; E668-K671 WeakPolarHBondContact O-CB 3.47Å; E668-K671 PolarHBondContact O-N 3.06Å; E668-K671 IonicContact OE1-NZ 3.23Å; E668-K671 PolarHBondContact OE1-NZ 3.36Å; E668-K671 IonicContact OE2-NZ 3.66Å; E668-K671 PolarHBondContact OE2-NZ 3.19Å
669	I	98.5	Very high	98.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.9	-34.8	179.4	-60.8	165.1	0	0	0	110.8	A591 E594 A595 V635 I637 M665 K671 I672 I678	A591-I669 HydrophobicContact CB-CG2 3.88Å; E594-I669 HydrophobicContact CB-CG1 4.47Å; A595-I669 HydrophobicContact CB-CD1 4.05Å; V635-I669 HydrophobicContact CB-CG2 3.98Å; V635-I669 HydrophobicContact CG1-CG2 4.07Å; V635-I669 HydrophobicContact CG2-CG2 3.85Å; I637-I669 HydrophobicContact CD1-CD1 4.25Å; I637-I669 HydrophobicContact CG1-CD1 4.34Å; M665-I669 HydrophobicContact CB-CD1 4.2Å; M665-I669 WeakPolarHBondContact O-CB 3.26Å; M665-I669 WeakPolarHBondContact O-CD1 3.37Å; M665-I669 WeakPolarHBondContact O-CG1 3.47Å; M665-I669 PolarHBondContact O-N 3.21Å; I669-K671 PolarHBondContact O-N 3.5Å; I669-I672 HydrophobicContact CG2-CD1 4.19Å; I669-I672 VanDerWaalsContact O-CB 3.31Å; I669-I672 WeakPolarHBondContact O-CB 3.39Å; I669-I672 WeakPolarHBondContact O-CG1 3.47Å; I669-I672 PolarHBondContact O-N 3.05Å; I669-I672 VanDerWaalsContact O-N 3.07Å; I669-I678 HydrophobicContact CB-CD1 3.81Å; I669-I678 HydrophobicContact CG2-CD1 3.42Å; I669-I678 VanDerWaalsContact CG2-CD1 3.42Å
670	K	98.1	Very high	98.3	Very high	94 Å²	94	43.2 Å²	43.2	41%	0.409	23%	0.227	S	C	.	.	H	α-helix	trans	-63.7	-23.8	178.9	-173.8	67.4	-172.1	-132.9	0	113.2	V666 E668 I672 S676 I678	V666-K670 WeakPolarHBondContact O-CB 3.49Å; V666-K670 PolarHBondContact O-N 3.2Å; V666-K670 VanDerWaalsContact O-N 3.09Å; E668-K670 VanDerWaalsContact C-N 3.28Å; E668-K670 PolarHBondContact O-N 2.8Å; K670-I672 VanDerWaalsContact C-N 3.25Å; K670-I672 PolarHBondContact O-N 3.49Å; K670-S676 WeakPolarHBondContact CE-O 3.36Å; K670-S676 PolarHBondContact NZ-O 3.15Å; K670-I678 HydrophobicContact CB-CG1 4.38Å
671	K	98.4	Very high	98.4	Very high	135 Å²	135	36.2 Å²	36.2	59%	0.587	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-16	176.1	-63.3	170.9	-167.9	167.7	0	112.9	E668 I669	E668-K671 WeakPolarHBondContact O-CB 3.47Å; E668-K671 PolarHBondContact O-N 3.06Å; E668-K671 IonicContact OE1-NZ 3.23Å; E668-K671 PolarHBondContact OE1-NZ 3.36Å; E668-K671 IonicContact OE2-NZ 3.66Å; E668-K671 PolarHBondContact OE2-NZ 3.19Å; I669-K671 PolarHBondContact O-N 3.5Å
672	I	98.4	Very high	98.4	Very high	19 Å²	19	35.9 Å²	35.9	10%	0.097	19%	0.192	C	C	.	.	S	Bend	trans	-68.7	129.2	-178	-60.2	172.3	0	0	0	109.4	T587 Q590 A591 I669 K670 G674 I675	T587-I672 HydrophobicContact CG2-CG2 4.14Å; Q590-I672 HydrophobicContact CB-CD1 4.19Å; Q590-I672 HydrophobicContact CG-CD1 3.8Å; Q590-I672 HydrophobicContact CG-CG1 4.14Å; A591-I672 HydrophobicContact CB-CD1 3.89Å; I669-I672 HydrophobicContact CG2-CD1 4.19Å; I669-I672 VanDerWaalsContact O-CB 3.31Å; I669-I672 WeakPolarHBondContact O-CB 3.39Å; I669-I672 WeakPolarHBondContact O-CG1 3.47Å; I669-I672 PolarHBondContact O-N 3.05Å; I669-I672 VanDerWaalsContact O-N 3.07Å; K670-I672 VanDerWaalsContact C-N 3.25Å; K670-I672 PolarHBondContact O-N 3.49Å; I672-G674 PolarHBondContact O-N 3.46Å; I672-I675 HydrophobicContact CB-CG1 3.86Å; I672-I675 HydrophobicContact CG2-CG1 4.08Å; I672-I675 WeakPolarHBondContact O-CB 3.41Å; I672-I675 WeakPolarHBondContact O-CG1 3.38Å; I672-I675 PolarHBondContact O-N 3.12Å
673	P	98.4	Very high	98.1	Very high	114 Å²	114	35.9 Å²	35.9	74%	0.74	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	133	179.4	-27	35	0	0	0	113
674	G	96.9	Very high	97.6	Very high	38 Å²	38	33 Å²	33	39%	0.392	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	5.8	178.7	0	0	0	0	0	115.1	Q632 R633 I672	Q632-G674 WeakPolarHBondContact CA-O 3.29Å; Q632-G674 WeakPolarHBondContact CB-O 3.31Å; R633-G674 PolarHBondContact N-O 3.36Å; I672-G674 PolarHBondContact O-N 3.46Å
675	I	98.6	Very high	96.7	Very high	8 Å²	8	30 Å²	30	4%	0.041	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	116.3	174.6	-58.6	-49.9	0	0	0	111.9	T587 L615 R633 V635 I672 I678	T587-I675 HydrophobicContact CG2-CD1 3.62Å; T587-I675 HydrophobicContact CG2-CG1 4.39Å; L615-I675 HydrophobicContact CD1-CD1 3.85Å; R633-I675 CarbonylContact O-C 3.46Å; R633-I675 VanDerWaalsContact O-CA 3.28Å; R633-I675 WeakPolarHBondContact O-CA 3.49Å; V635-I675 HydrophobicContact CG2-CD1 3.67Å; V635-I675 HydrophobicContact CG2-CG1 4.29Å; V635-I675 HydrophobicContact CG2-CG2 4.26Å; I672-I675 HydrophobicContact CB-CG1 3.86Å; I672-I675 HydrophobicContact CG2-CG1 4.08Å; I672-I675 WeakPolarHBondContact O-CB 3.41Å; I672-I675 WeakPolarHBondContact O-CG1 3.38Å; I672-I675 PolarHBondContact O-N 3.12Å; I675-I678 HydrophobicContact CG2-CD1 3.58Å
676	S	98.4	Very high	95.4	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-61.5	178.7	175.5	0	0	0	0	112.3	F620 R633 K670	F620-S676 PolarHBondContact N-OG 2.9Å; F620-S676 PolarHBondContact O-OG 2.93Å; R633-S676 PolarHBondContact O-N 2.77Å; K670-S676 WeakPolarHBondContact CE-O 3.36Å; K670-S676 PolarHBondContact NZ-O 3.15Å
677	R	98.5	Very high	94.6	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.008	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	160.2	177.7	-73.3	-74.9	-173	130.7	8.7	111.6	I563 F564 P566 F620 D621 S634 V635	I563-R677 HydrophobicContact CG2-CB 4.05Å; I563-R677 HydrophobicContact CG2-CG 4.14Å; F564-R677 VanDerWaalsContact O-CD 3.3Å; F564-R677 WeakPolarHBondContact O-CD 3.5Å; F564-R677 PolarHBondContact O-NH1 3.1Å; P566-R677 PolarHBondContact O-NH1 2.89Å; P566-R677 PolarHBondContact O-NH2 2.95Å; F620-R677 HydrophobicContact CB-CG 3.66Å; F620-R677 HydrophobicContact CD2-CB 3.66Å; F620-R677 HydrophobicContact CD2-CG 3.53Å; F620-R677 HydrophobicContact CE2-CB 4.08Å; F620-R677 HydrophobicContact CE2-CG 4.35Å; F620-R677 HydrophobicContact CG-CB 4.36Å; F620-R677 HydrophobicContact CG-CG 3.73Å; D621-R677 VanDerWaalsContact CG-NH2 3.29Å; D621-R677 IonicContact OD1-CZ 2.72Å; D621-R677 IonicContact OD1-NE 3.35Å; D621-R677 IonicContact OD1-NH2 2.78Å; D621-R677 PolarHBondContact OD1-NH2 2.87Å; D621-R677 IonicContact OD2-CZ 2.59Å; D621-R677 IonicContact OD2-NE 3.23Å; D621-R677 PolarHBondContact OD2-NE 2.75Å; D621-R677 IonicContact OD2-NH2 3.82Å; D621-R677 PolarHBondContact OD2-NH2 2.82Å; D621-R677 VanDerWaalsContact OD2-NH2 3.16Å; S634-R677 CarbonylContact C-O 3.51Å; S634-R677 WeakPolarHBondContact CA-O 3.16Å; S634-R677 WeakPolarHBondContact CB-O 3.37Å; S634-R677 PolarHBondContact OG-N 3.36Å; V635-R677 PolarHBondContact N-O 2.76Å
678	I	98.8	Very high	93.8	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.015	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	141.1	169.9	-45.3	-58.9	0	0	0	107.8	F564 V635 I637 V666 I669 K670 I675	F564-I678 HydrophobicContact CD2-CB 4.21Å; F564-I678 HydrophobicContact CD2-CG2 4.22Å; F564-I678 WeakPolarHBondContact CD2-O 3.34Å; F564-I678 PolarHBondContact N-O 3.39Å; V635-I678 HydrophobicContact CB-CD1 4.07Å; V635-I678 CarbonylContact O-C 3.59Å; V635-I678 WeakPolarHBondContact O-CA 3.34Å; I637-I678 HydrophobicContact CD1-CG2 3.92Å; I637-I678 HydrophobicContact CG1-CG2 4.29Å; V666-I678 HydrophobicContact CB-CG2 4.48Å; V666-I678 HydrophobicContact CG1-CB 4.13Å; V666-I678 HydrophobicContact CG1-CG1 4.06Å; V666-I678 HydrophobicContact CG2-CB 4.24Å; V666-I678 HydrophobicContact CG2-CG2 3.9Å; I669-I678 HydrophobicContact CB-CD1 3.81Å; I669-I678 HydrophobicContact CG2-CD1 3.42Å; I669-I678 VanDerWaalsContact CG2-CD1 3.42Å; K670-I678 HydrophobicContact CB-CG1 4.38Å; I675-I678 HydrophobicContact CG2-CD1 3.58Å
679	M	98.8	Very high	93.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	151	-177.5	-65.4	178.9	-77.4	0	0	110.1	L512 V561 Y562 I563 T616 L618 F620 V635 V636 I637	L512-M679 HydrophobicContact CD1-SD 4.06Å; V561-M679 HydrophobicContact CB-CB 4.36Å; V561-M679 HydrophobicContact CG2-CB 4.33Å; V561-M679 HydrophobicContact CG2-CG 4.38Å; V561-M679 HydrophobicContact CG2-SD 3.92Å; Y562-M679 CarbonylContact O-C 3.5Å; Y562-M679 WeakPolarHBondContact O-CA 3.19Å; I563-M679 HydrophobicContact CB-CG 4.36Å; I563-M679 HydrophobicContact CG1-CG 3.93Å; I563-M679 HydrophobicContact CG1-SD 4.14Å; I563-M679 HydrophobicContact CG2-CG 4.3Å; T616-M679 HydrophobicContact CG2-CE 3.97Å; T616-M679 VanDerWaalsContact OG1-CE 3.24Å; T616-M679 WeakPolarHBondContact OG1-CE 3.27Å; L618-M679 HydrophobicContact CD1-CE 4.36Å; F620-M679 HydrophobicContact CZ-SD 4.42Å; V635-M679 PolarHBondContact O-N 3.39Å; V636-M679 CarbonylContact C-O 3.58Å; V636-M679 WeakPolarHBondContact CA-O 3.5Å; V636-M679 HydrophobicContact CB-CB 4.37Å; V636-M679 HydrophobicContact CG1-CB 4.39Å; V636-M679 HydrophobicContact CG2-CB 3.98Å; V636-M679 HydrophobicContact CG2-CE 3.64Å; V636-M679 HydrophobicContact CG2-SD 4.46Å; I637-M679 PolarHBondContact N-O 3.08Å
680	Y	98.8	Very high	92.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.3	173.9	-158.5	-89.4	0	0	0	109.4	W540 V561 Y562 F564 I637 T639 A651 P653 V662 L682	W540-Y680 HydrophobicContact CZ3-CD1 4.3Å; W540-Y680 HydrophobicContact CZ3-CG 4.33Å; V561-Y680 CarbonylContact C-O 3.51Å; V561-Y680 WeakPolarHBondContact CA-O 3.16Å; V561-Y680 WeakPolarHBondContact CB-O 3.23Å; Y562-Y680 PolarHBondContact N-O 3.31Å; Y562-Y680 PolarHBondContact O-N 3.44Å; F564-Y680 HydrophobicContact CE2-CD2 4.32Å; F564-Y680 HydrophobicContact CZ-CD2 4.31Å; I637-Y680 HydrophobicContact CB-CD2 4.2Å; I637-Y680 HydrophobicContact CG2-CD2 4.24Å; I637-Y680 HydrophobicContact CG2-CE2 4.09Å; T639-Y680 HydrophobicContact CG2-CE2 4.15Å; T639-Y680 WeakPolarHBondContact CG2-OH 3.41Å; T639-Y680 PolarHBondContact OG1-OH 3.44Å; A651-Y680 WeakPolarHBondContact O-CE1 3.42Å; A651-Y680 PolarHBondContact O-OH 2.68Å; P653-Y680 HydrophobicContact CG-CE1 4Å; P653-Y680 HydrophobicContact CG-CE2 4.09Å; V662-Y680 HydrophobicContact CB-CE2 4.42Å; V662-Y680 HydrophobicContact CG1-CD2 3.62Å; V662-Y680 HydrophobicContact CG1-CE2 3.58Å; V662-Y680 HydrophobicContact CG2-CE2 3.88Å; Y680-L682 HydrophobicContact CD1-CD2 4.06Å; Y680-L682 PolarHBondContact O-N 3.06Å
681	D	98.7	Very high	92.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	120.8	177.5	-167.8	-10.3	0	0	0	111.1	R559 V561 V636 I637 R638 P650 T683 W692	R559-D681 IonicContact CZ-OD2 3.6Å; R559-D681 IonicContact NH1-OD2 3.62Å; R559-D681 PolarHBondContact NH1-OD2 3.01Å; V561-D681 HydrophobicContact CG1-CB 4.45Å; V636-D681 HydrophobicContact CG1-CB 3.99Å; I637-D681 PolarHBondContact O-N 2.88Å; R638-D681 HydrophobicContact CB-CB 4.02Å; R638-D681 HydrophobicContact CG-CB 3.82Å; R638-D681 WeakPolarHBondContact CG-OD2 3.44Å; P650-D681 WeakPolarHBondContact CB-O 3.45Å; D681-T683 WeakPolarHBondContact OD1-CB 3.36Å; D681-T683 PolarHBondContact OD1-N 2.65Å; D681-T683 PolarHBondContact OD1-OG1 2.86Å; D681-W692 PolarHBondContact OD2-NE1 3.44Å
682	L	98.1	Very high	92.4	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	13%	0.127	C	C	.	.			trans	-99.3	3.8	-177.8	-59.1	168.2	0	0	0	112.1	W540 L543 I544 A547 V560 P650 Y680	W540-L682 HydrophobicContact CE3-CD2 4.31Å; W540-L682 HydrophobicContact CZ3-CD2 4.33Å; L543-L682 HydrophobicContact CB-CD1 3.85Å; L543-L682 HydrophobicContact CB-CD2 4.33Å; I544-L682 HydrophobicContact CD1-CB 4.09Å; I544-L682 HydrophobicContact CD1-CD2 3.82Å; I544-L682 HydrophobicContact CG1-CD2 4.33Å; A547-L682 HydrophobicContact CB-CB 3.41Å; A547-L682 VanDerWaalsContact CB-CB 3.41Å; A547-L682 HydrophobicContact CB-CD1 4.31Å; A547-L682 WeakPolarHBondContact CB-O 3.41Å; V560-L682 HydrophobicContact CG1-CD1 4.48Å; V560-L682 WeakPolarHBondContact O-CB 3.49Å; V560-L682 PolarHBondContact O-N 3.24Å; P650-L682 WeakPolarHBondContact CG-O 3.39Å; Y680-L682 HydrophobicContact CD1-CD2 4.06Å; Y680-L682 PolarHBondContact O-N 3.06Å
683	T	92.9	Very high	92	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	12%	0.124	C	C	.	.			trans	-90.4	123.9	-167	-35.7	0	0	0	0	112.1	N558 R559 V560 R638 D681 P687	N558-T683 WeakPolarHBondContact O-CG2 3.14Å; R559-T683 VanDerWaalsContact CA-OG1 3.3Å; R559-T683 WeakPolarHBondContact CA-OG1 3.06Å; R559-T683 WeakPolarHBondContact CB-OG1 3.34Å; R559-T683 HydrophobicContact CG-CG2 4.3Å; V560-T683 PolarHBondContact N-OG1 2.83Å; V560-T683 PolarHBondContact O-OG1 3.35Å; R638-T683 PolarHBondContact NH1-O 3.18Å; R638-T683 PolarHBondContact NH2-O 3.2Å; D681-T683 WeakPolarHBondContact OD1-CB 3.36Å; D681-T683 PolarHBondContact OD1-N 2.65Å; D681-T683 PolarHBondContact OD1-OG1 2.86Å; T683-P687 HydrophobicContact CG2-CG 4.12Å
684	S	86.4	Confident	91.7	Very high	17 Å²	17	14.5 Å²	14.5	12%	0.119	9%	0.093	C	C	.	.			trans	-71.1	163	166.9	-64.1	0	0	0	0	111.9	G648 P686 G688	G648-S684 CarbonylContact O-C 3.49Å; G648-S684 WeakPolarHBondContact O-CA 3.41Å; G648-S684 WeakPolarHBondContact O-CB 3.4Å; S684-P686 CarbonylContact C-O 3.53Å; S684-P686 VanDerWaalsContact C-O 3.32Å; S684-P686 CarbonylContact O-C 3.57Å; S684-G688 WeakPolarHBondContact O-CA 3.39Å; S684-G688 PolarHBondContact O-N 2.81Å
685	K	81.4	Confident	91.4	Very high	41 Å²	41	13.2 Å²	13.2	18%	0.178	8%	0.077	C	C	.	.	B	Isolated β-bridge	trans	-107	119.6	167.1	176.7	177.6	-175	-169.2	0	108.9	V519 F640 F645 M646 T647 G648 G688	V519-K685 HydrophobicContact CG1-CG 4.18Å; F640-K685 HydrophobicContact CE2-CB 3.93Å; F640-K685 HydrophobicContact CZ-CB 3.74Å; F640-K685 HydrophobicContact CZ-CD 4.24Å; F645-K685 PolarHBondContact O-NZ 2.87Å; M646-K685 VanDerWaalsContact O-CD 3.25Å; M646-K685 WeakPolarHBondContact O-CD 3.5Å; M646-K685 WeakPolarHBondContact O-CE 3.39Å; M646-K685 WeakPolarHBondContact O-CG 3.5Å; T647-K685 WeakPolarHBondContact CA-O 3.45Å; G648-K685 PolarHBondContact N-O 2.83Å; G648-K685 VanDerWaalsContact N-O 3.1Å; G648-K685 PolarHBondContact O-N 2.77Å; K685-G688 VanDerWaalsContact CA-O 3.31Å; K685-G688 WeakPolarHBondContact CA-O 3.45Å; K685-G688 VanDerWaalsContact CB-O 3.29Å; K685-G688 WeakPolarHBondContact CB-O 3.36Å; K685-G688 VanDerWaalsContact CG-O 3.24Å; K685-G688 WeakPolarHBondContact CG-O 3.44Å
686	P	71.3	Confident	91	Very high	80 Å²	80	13.5 Å²	13.5	52%	0.519	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	cis	-69.5	167.2	-13.6	30.5	-35.4	0	0	0	112.9	V519 S684	V519-P686 HydrophobicContact CG1-CB 4.18Å; S684-P686 CarbonylContact C-O 3.53Å; S684-P686 VanDerWaalsContact C-O 3.32Å; S684-P686 CarbonylContact O-C 3.57Å
687	P	80.2	Confident	90.6	Very high	28 Å²	28	14.1 Å²	14.1	18%	0.182	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89.2	-11.4	3.2	36.3	-36.2	0	0	0	114.3	G518 V519 Q520 P551 T683	G518-P687 CarbonylContact C-O 3.52Å; G518-P687 WeakPolarHBondContact CA-O 3.12Å; V519-P687 PolarHBondContact N-O 3.3Å; V519-P687 WeakPolarHBondContact O-CA 3.37Å; Q520-P687 HydrophobicContact CG-CB 4.38Å; P551-P687 HydrophobicContact CB-CB 4.47Å; P551-P687 HydrophobicContact CB-CG 3.59Å; P551-P687 HydrophobicContact CG-CG 3.96Å; T683-P687 HydrophobicContact CG2-CG 4.12Å
688	G	82.4	Confident	90.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-75.6	179.1	174.3	0	0	0	0	0	112	S684 K685	S684-G688 WeakPolarHBondContact O-CA 3.39Å; S684-G688 PolarHBondContact O-N 2.81Å; K685-G688 VanDerWaalsContact CA-O 3.31Å; K685-G688 WeakPolarHBondContact CA-O 3.45Å; K685-G688 VanDerWaalsContact CB-O 3.29Å; K685-G688 WeakPolarHBondContact CB-O 3.36Å; K685-G688 VanDerWaalsContact CG-O 3.24Å; K685-G688 WeakPolarHBondContact CG-O 3.44Å
689	T	84.5	Confident	89.5	Confident	23 Å²	23	15.7 Å²	15.7	14%	0.141	9%	0.092	C	C	.	.			trans	-125.7	177.5	168.9	51.9	0	0	0	0	110.2	V517 V519 R559 R638 E691	V517-T689 VanDerWaalsContact CG1-OG1 3.25Å; V517-T689 WeakPolarHBondContact CG1-OG1 3.09Å; V517-T689 HydrophobicContact CG2-CG2 4.29Å; V519-T689 HydrophobicContact CB-CG2 4.27Å; V519-T689 HydrophobicContact CG1-CG2 4.1Å; R559-T689 PolarHBondContact NH1-O 2.99Å; R559-T689 PolarHBondContact NH2-O 3.08Å; R559-T689 PolarHBondContact NH2-OG1 3.12Å; R638-T689 PolarHBondContact NH2-O 3.2Å; T689-E691 PolarHBondContact OG1-O 2.75Å
690	T	88.2	Confident	88.8	Confident	14 Å²	14	16.8 Å²	16.8	9%	0.086	10%	0.098	C	C	.	.	S	Bend	trans	-64.6	-57.4	176.8	-42.3	0	0	0	0	111.5	Q610 P612 R638 F640	Q610-T690 HydrophobicContact CB-CG2 4.28Å; P612-T690 HydrophobicContact CG-CG2 4.29Å; R638-T690 VanDerWaalsContact CD-O 3.28Å; R638-T690 WeakPolarHBondContact CD-O 3.42Å; R638-T690 PolarHBondContact NE-O 2.7Å; F640-T690 HydrophobicContact CB-CG2 4.13Å; F640-T690 HydrophobicContact CD1-CG2 3.46Å; F640-T690 VanDerWaalsContact CD1-CG2 3.46Å; F640-T690 WeakPolarHBondContact CD1-OG1 3.25Å; F640-T690 HydrophobicContact CE1-CG2 4.03Å; F640-T690 WeakPolarHBondContact CE1-OG1 3.37Å; F640-T690 HydrophobicContact CG-CG2 3.95Å
691	E	93.5	Very high	88	Confident	23 Å²	23	18.1 Å²	18.1	11%	0.107	11%	0.106	C	C	.	.	S	Bend	trans	-85.9	158	174.8	-55.7	-67.5	168.1	0	0	110.7	I445 R446 R559 Q610 T689	I445-E691 HydrophobicContact CD1-CB 4.23Å; I445-E691 HydrophobicContact CD1-CG 4.04Å; R446-E691 IonicContact CZ-OE1 2.7Å; R446-E691 IonicContact CZ-OE2 3.16Å; R446-E691 IonicContact NE-OE1 4Å; R446-E691 IonicContact NE-OE2 2.71Å; R446-E691 PolarHBondContact NE-OE2 3.19Å; R446-E691 IonicContact NH2-OE1 3.53Å; R446-E691 PolarHBondContact NH2-OE1 2.95Å; R446-E691 IonicContact NH2-OE2 3.62Å; R559-E691 PolarHBondContact NH2-O 3.11Å; Q610-E691 PolarHBondContact NE2-OE1 3.46Å; T689-E691 PolarHBondContact OG1-O 2.75Å
692	W	96.3	Very high	87.2	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.115	C	C	.	.			trans	-88.5	-12.9	-177.8	-90	45.5	0	0	0	115.1	I448 I514 T516 V517 V529 R559 V561 I614 T616 V636 D681	I448-W692 HydrophobicContact CD1-CE3 3.4Å; I448-W692 VanDerWaalsContact CD1-CE3 3.4Å; I448-W692 HydrophobicContact CD1-CZ3 3.64Å; I448-W692 HydrophobicContact CG1-CE3 4.34Å; I514-W692 HydrophobicContact CD1-CZ3 4.02Å; T516-W692 WeakPolarHBondContact CA-O 3.31Å; T516-W692 PolarHBondContact OG1-O 3.09Å; V517-W692 VanDerWaalsContact CG1-C 3.47Å; V517-W692 WeakPolarHBondContact CG1-O 3.42Å; V517-W692 PolarHBondContact N-O 3.15Å; V529-W692 HydrophobicContact CG1-CH2 3.84Å; V529-W692 HydrophobicContact CG1-CZ3 4.36Å; V529-W692 HydrophobicContact CG2-CE3 4.35Å; V529-W692 HydrophobicContact CG2-CH2 3.92Å; V529-W692 HydrophobicContact CG2-CZ3 3.65Å; R559-W692 VanDerWaalsContact CD-CE2 3.45Å; R559-W692 VanDerWaalsContact CZ-CD1 3.48Å; V561-W692 HydrophobicContact CG1-CH2 3.72Å; V561-W692 HydrophobicContact CG1-CZ2 3.54Å; I614-W692 HydrophobicContact CD1-CG 4.08Å; I614-W692 HydrophobicContact CG1-CB 4.09Å; I614-W692 HydrophobicContact CG1-CD2 4.46Å; I614-W692 HydrophobicContact CG1-CG 3.94Å; I614-W692 HydrophobicContact CG2-CB 4.23Å; I614-W692 HydrophobicContact CG2-CD2 4.32Å; I614-W692 HydrophobicContact CG2-CE3 4.31Å; I614-W692 HydrophobicContact CG2-CG 4.32Å; T616-W692 HydrophobicContact CG2-CZ3 4.14Å; V636-W692 HydrophobicContact CB-CH2 4.46Å; V636-W692 HydrophobicContact CB-CZ2 4.21Å; V636-W692 HydrophobicContact CG1-CH2 4.27Å; V636-W692 HydrophobicContact CG1-CZ2 3.64Å; V636-W692 HydrophobicContact CG2-CH2 3.58Å; V636-W692 HydrophobicContact CG2-CZ2 3.8Å; V636-W692 HydrophobicContact CG2-CZ3 4.1Å; D681-W692 PolarHBondContact OD2-NE1 3.44Å
693	E	90.6	Very high	86.2	Confident	7 Å²	7	21.3 Å²	21.3	3%	0.033	13%	0.125	C	C	.	.			trans	-130.2	0	173.9	-77.8	-167.1	165.9	0	0	111.6	P333 K336 R337 I445 R524 Y526	P333-E693 HydrophobicContact CB-CB 3.88Å; P333-E693 HydrophobicContact CB-CG 4.3Å; P333-E693 HydrophobicContact CG-CB 3.78Å; P333-E693 HydrophobicContact CG-CG 3.64Å; K336-E693 IonicContact NZ-OE1 3.18Å; K336-E693 PolarHBondContact NZ-OE1 2.77Å; K336-E693 IonicContact NZ-OE2 3.2Å; K336-E693 PolarHBondContact NZ-OE2 3.41Å; R337-E693 VanDerWaalsContact CZ-OXT 3.31Å; R337-E693 PolarHBondContact NH1-OXT 3.44Å; R337-E693 PolarHBondContact NH2-O 3.11Å; R337-E693 PolarHBondContact NH2-OXT 3.44Å; I445-E693 HydrophobicContact CB-CB 4.05Å; R524-E693 PolarHBondContact NH2-OXT 2.74Å; Y526-E693 PolarHBondContact OH-OXT 3.13Å

Retrieved 693 of 693 residues in 5476 ms (Link to these results)

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