A0A077ZCX5_TRITR Loading...

Pkinase domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCX5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 325 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.8	Very low	41.2	Very low	220 Å²	220	140.8 Å²	140.8	100%	1.084	70%	0.699	S	S	*	*				0	-16.1	0	-77.5	175.8	-163.3	0	0	113
2	D	46.6	Very low	41.5	Very low	133 Å²	133	137.3 Å²	137.3	71%	0.711	68%	0.677	S	S	*	*	H	α-helix	trans	-80.7	-23.3	-177.3	-70.8	-56.9	0	0	0	116.8	Q6	D2-Q6 PolarHBondContact O-N 3.3Å
3	E	35.3	Very low	41.1	Very low	150 Å²	150	145.8 Å²	145.8	70%	0.701	70%	0.696	S	S	*	*	H	α-helix	trans	-77	-29.9	-175.6	-74.1	-169.9	139.6	0	0	114.5	Q6 R7	E3-Q6 PolarHBondContact O-N 3.08Å; E3-R7 PolarHBondContact O-N 3.18Å
4	V	40.3	Very low	41	Very low	94 Å²	94	145 Å²	145	57%	0.57	69%	0.689	S	S	*	*	H	α-helix	trans	-73.5	-31.8	-179.6	-179.7	0	0	0	0	111.3	R8	V4-R8 WeakPolarHBondContact O-CG 3.3Å
5	V	42.1	Very low	40.7	Very low	84 Å²	84	143.1 Å²	143.1	51%	0.509	69%	0.694	S	S	.	*	H	α-helix	trans	-73.8	-32.2	176.4	178.4	0	0	0	0	111.3
6	Q	37.3	Very low	40.3	Very low	133 Å²	133	142.2 Å²	142.2	62%	0.621	70%	0.704	S	S	*	*	H	α-helix	trans	-74.4	-37.8	178.9	-79.3	-174	-14.8	0	0	113.3	D2 E3 R8 K9	D2-Q6 PolarHBondContact O-N 3.3Å; E3-Q6 PolarHBondContact O-N 3.08Å; Q6-R8 VanDerWaalsContact C-N 3.3Å; Q6-R8 PolarHBondContact O-N 3.06Å; Q6-K9 PolarHBondContact O-N 3.06Å
7	R	38.1	Very low	39.8	Very low	206 Å²	206	136.8 Å²	136.8	78%	0.777	69%	0.694	S	S	*	*	H	α-helix	trans	-69.5	-25.1	179.1	-71.1	-172.8	-178.8	-162	1.9	113.7	E3 K9	E3-R7 PolarHBondContact O-N 3.18Å; R7-K9 VanDerWaalsContact C-N 3.33Å; R7-K9 PolarHBondContact O-N 3.01Å
8	R	45.2	Very low	39.6	Very low	135 Å²	135	144.1 Å²	144.1	51%	0.509	71%	0.711	S	S	.	*	G	3₁₀ helix	trans	-76.3	-14.1	178.3	-71.5	-180	175	-174.1	-0.6	114.3	V4 Q6	V4-R8 WeakPolarHBondContact O-CG 3.3Å; Q6-R8 VanDerWaalsContact C-N 3.3Å; Q6-R8 PolarHBondContact O-N 3.06Å
9	K	45.3	Very low	39.9	Very low	140 Å²	140	137.8 Å²	137.8	61%	0.609	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-81.1	-11.9	-175.7	-70.6	-178.1	-179.6	-177.5	0	114.9	Q6 R7	Q6-K9 PolarHBondContact O-N 3.06Å; R7-K9 VanDerWaalsContact C-N 3.33Å; R7-K9 PolarHBondContact O-N 3.01Å
10	Q	40.8	Very low	40	Very low	182 Å²	182	138.1 Å²	138.1	85%	0.85	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-89	0.6	-167.7	-68.5	-172.7	-4.8	0	0	116.1
11	G	39.3	Very low	39.7	Very low	72 Å²	72	140.2 Å²	140.2	74%	0.742	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-106.3	-4.3	-171.1	0	0	0	0	0	118.2
12	F	45.1	Very low	39.6	Very low	99 Å²	99	136.5 Å²	136.5	43%	0.434	67%	0.674	S	S	.	*			trans	-97.6	100	-169.2	-89.9	-81.9	0	0	0	113.5	F14 F43	F12-F14 HydrophobicContact CD1-CD2 4.08Å; F12-F14 AromaticContact CD1-CE2 3.26Å; F12-F14 HydrophobicContact CD1-CE2 3.26Å; F12-F14 AromaticContact CD1-CZ 3.67Å; F12-F14 HydrophobicContact CD1-CZ 3.67Å; F12-F14 AromaticContact CE1-CE2 3.67Å; F12-F14 HydrophobicContact CE1-CE2 3.67Å; F12-F14 AromaticContact CE1-CZ 3.64Å; F12-F14 HydrophobicContact CE1-CZ 3.64Å; F12-F14 HydrophobicContact CG-CE2 4.36Å; F12-F43 HydrophobicContact CE2-CE1 4.35Å; F12-F43 HydrophobicContact CZ-CE1 4.29Å; F12-F43 HydrophobicContact CZ-CZ 4.1Å
13	R	36.5	Very low	39.5	Very low	247 Å²	247	133.6 Å²	133.6	93%	0.932	66%	0.655	S	S	*	*			trans	-108.8	118.4	161.4	-94.5	-173.9	179.1	-166	1	110
14	F	39.5	Very low	40	Very low	135 Å²	135	129.3 Å²	129.3	59%	0.592	65%	0.645	S	S	*	*			trans	-112.1	143.9	168.7	-72.4	-74.6	0	0	0	110.7	F12 L46	F12-F14 HydrophobicContact CD1-CD2 4.08Å; F12-F14 AromaticContact CD1-CE2 3.26Å; F12-F14 HydrophobicContact CD1-CE2 3.26Å; F12-F14 AromaticContact CD1-CZ 3.67Å; F12-F14 HydrophobicContact CD1-CZ 3.67Å; F12-F14 AromaticContact CE1-CE2 3.67Å; F12-F14 HydrophobicContact CE1-CE2 3.67Å; F12-F14 AromaticContact CE1-CZ 3.64Å; F12-F14 HydrophobicContact CE1-CZ 3.64Å; F12-F14 HydrophobicContact CG-CE2 4.36Å; F14-L46 HydrophobicContact CZ-CD2 4.28Å
15	P	35.7	Very low	40.6	Very low	117 Å²	117	129.1 Å²	129.1	76%	0.76	64%	0.64	S	S	*	*			trans	-64.6	139.9	175.8	-16.2	29.2	0	0	0	112.8	K23	P15-K23 PolarHBondContact O-NZ 3.05Å
16	C	35.1	Very low	41.8	Very low	128 Å²	128	128.2 Å²	128.2	87%	0.865	63%	0.632	S	S	*	*			trans	-83.6	131.2	-177.3	90.7	0	0	0	0	111.9
17	G	31.4	Very low	43.5	Very low	51 Å²	51	127.7 Å²	127.7	53%	0.526	63%	0.628	S	S	.	*	S	Bend		173.8	155.6	114.9	0	0	0	0	0	112.5	A19	G17-A19 PolarHBondContact O-N 3.36Å
18	R	35.9	Very low	45.3	Very low	267 Å²	267	120.4 Å²	120.4	100%	1.008	61%	0.612	S	S	*	*	S	Bend	trans	72.5	-5.1	-179.4	-76.4	-172.9	-179.5	-177.8	1.1	121.5
19	A	45.7	Very low	46.7	Very low	25 Å²	25	117.9 Å²	117.9	21%	0.207	61%	0.606	C	S	.	*			trans	-123.1	41.7	-158.9	0	0	0	0	0	116.8	G17 K23	G17-A19 PolarHBondContact O-N 3.36Å; A19-K23 HydrophobicContact CB-CD 3.54Å; A19-K23 HydrophobicContact CB-CG 3.58Å; A19-K23 WeakPolarHBondContact O-CA 3.48Å; A19-K23 WeakPolarHBondContact O-CB 3.35Å; A19-K23 VanDerWaalsContact O-CD 3.26Å; A19-K23 WeakPolarHBondContact O-CD 3.19Å; A19-K23 WeakPolarHBondContact O-CG 3.19Å; A19-K23 PolarHBondContact O-N 2.99Å
20	N	43.2	Very low	48.4	Very low	144 Å²	144	111.7 Å²	111.7	77%	0.77	58%	0.579	S	S	*	*	H	α-helix	trans	-69.6	-40.3	-170	-80.8	-4.3	0	0	0	116.2	A24	N20-A24 WeakPolarHBondContact O-CB 3.38Å; N20-A24 PolarHBondContact O-N 2.91Å; N20-A24 VanDerWaalsContact O-N 3.16Å
21	K	33.6	Very low	50.4	Low	183 Å²	183	107.3 Å²	107.3	80%	0.796	56%	0.558	S	S	*	*	H	α-helix	trans	-75.9	-46.7	176.7	-81	-173.1	177.4	-178.5	0	112.4	K23 A24 I25	K21-K23 PolarHBondContact O-N 3.49Å; K21-A24 PolarHBondContact O-N 3.5Å; K21-I25 WeakPolarHBondContact O-CG1 3.35Å; K21-I25 PolarHBondContact O-N 2.9Å
22	E	39.2	Very low	52.5	Low	142 Å²	142	108 Å²	108	66%	0.664	54%	0.542	S	S	*	.	H	α-helix	trans	-64.3	-38.4	175.9	-75.4	178.9	163.2	0	0	112.1	A24 I25 N26	E22-A24 VanDerWaalsContact C-N 3.35Å; E22-A24 PolarHBondContact O-N 3.5Å; E22-I25 PolarHBondContact O-N 3.09Å; E22-N26 VanDerWaalsContact O-CB 3.24Å; E22-N26 WeakPolarHBondContact O-CB 3.24Å; E22-N26 PolarHBondContact O-N 2.97Å; E22-N26 PolarHBondContact O-ND2 3.28Å
23	K	45.3	Very low	54.2	Low	72 Å²	72	103.6 Å²	103.6	31%	0.313	52%	0.524	S	S	.	.	H	α-helix	trans	-63.8	-39.4	173.2	-75.7	167.4	166.4	173.5	0	111.9	P15 A19 K21 N26 K27	P15-K23 PolarHBondContact O-NZ 3.05Å; A19-K23 HydrophobicContact CB-CD 3.54Å; A19-K23 HydrophobicContact CB-CG 3.58Å; A19-K23 WeakPolarHBondContact O-CA 3.48Å; A19-K23 WeakPolarHBondContact O-CB 3.35Å; A19-K23 VanDerWaalsContact O-CD 3.26Å; A19-K23 WeakPolarHBondContact O-CD 3.19Å; A19-K23 WeakPolarHBondContact O-CG 3.19Å; A19-K23 PolarHBondContact O-N 2.99Å; K21-K23 PolarHBondContact O-N 3.49Å; K23-N26 PolarHBondContact O-N 3.3Å; K23-K27 VanDerWaalsContact O-CB 3.31Å; K23-K27 WeakPolarHBondContact O-CB 3.49Å; K23-K27 PolarHBondContact O-N 3.1Å
24	A	45	Very low	56.6	Low	59 Å²	59	93 Å²	93	49%	0.488	49%	0.485	S	S	.	.	H	α-helix	trans	-65.2	-45.2	177.8	0	0	0	0	0	111.6	N20 K21 E22 K27 A28	N20-A24 WeakPolarHBondContact O-CB 3.38Å; N20-A24 PolarHBondContact O-N 2.91Å; N20-A24 VanDerWaalsContact O-N 3.16Å; K21-A24 PolarHBondContact O-N 3.5Å; E22-A24 VanDerWaalsContact C-N 3.35Å; E22-A24 PolarHBondContact O-N 3.5Å; A24-K27 PolarHBondContact O-N 2.94Å; A24-A28 PolarHBondContact O-N 3.28Å
25	I	53.2	Low	58.7	Low	90 Å²	90	90.6 Å²	90.6	46%	0.462	49%	0.485	S	S	.	.	H	α-helix	trans	-61.1	-46.2	175	-66.5	167.5	0	0	0	110.3	K21 E22 K27 A28 H29	K21-I25 WeakPolarHBondContact O-CG1 3.35Å; K21-I25 PolarHBondContact O-N 2.9Å; E22-I25 PolarHBondContact O-N 3.09Å; I25-K27 VanDerWaalsContact C-N 3.32Å; I25-K27 PolarHBondContact O-N 3.01Å; I25-A28 PolarHBondContact O-N 3.25Å; I25-H29 WeakPolarHBondContact CG2-CE1 3.4Å; I25-H29 VanDerWaalsContact O-CG 3.28Å; I25-H29 PolarHBondContact O-N 3.06Å
26	N	67.3	Low	61	Low	65 Å²	65	86.5 Å²	86.5	35%	0.348	46%	0.457	S	S	.	.	H	α-helix	trans	-62.2	-39.4	179.1	-74.2	-12.5	0	0	0	112.3	E22 K23 I30 Q49	E22-N26 VanDerWaalsContact O-CB 3.24Å; E22-N26 WeakPolarHBondContact O-CB 3.24Å; E22-N26 PolarHBondContact O-N 2.97Å; E22-N26 PolarHBondContact O-ND2 3.28Å; K23-N26 PolarHBondContact O-N 3.3Å; N26-I30 WeakPolarHBondContact O-CD1 3.4Å; N26-I30 VanDerWaalsContact O-CG1 3.24Å; N26-I30 WeakPolarHBondContact O-CG1 3.36Å; N26-I30 PolarHBondContact O-N 3.47Å; N26-I30 VanDerWaalsContact O-N 3.1Å; N26-Q49 PolarHBondContact O-NE2 3.36Å
27	K	73.7	Confident	63.4	Low	123 Å²	123	81 Å²	81	54%	0.535	42%	0.419	S	S	.	.	H	α-helix	trans	-66.8	-47.1	176.7	-177.3	176.1	173	179.2	0	111.5	K23 A24 I25 H29 I30 E31	K23-K27 VanDerWaalsContact O-CB 3.31Å; K23-K27 WeakPolarHBondContact O-CB 3.49Å; K23-K27 PolarHBondContact O-N 3.1Å; A24-K27 PolarHBondContact O-N 2.94Å; I25-K27 VanDerWaalsContact C-N 3.32Å; I25-K27 PolarHBondContact O-N 3.01Å; K27-H29 VanDerWaalsContact C-N 3.32Å; K27-H29 PolarHBondContact O-N 3.13Å; K27-I30 PolarHBondContact O-N 3.04Å; K27-E31 WeakPolarHBondContact CE-OE1 3.29Å; K27-E31 HydrophobicContact CG-CG 4.34Å; K27-E31 IonicContact NZ-OE1 2.94Å; K27-E31 WeakPolarHBondContact O-CB 3.47Å; K27-E31 WeakPolarHBondContact O-CG 3.19Å; K27-E31 PolarHBondContact O-N 2.68Å
28	A	75.8	Confident	65.9	Low	53 Å²	53	80.7 Å²	80.7	44%	0.438	41%	0.407	S	S	.	.	H	α-helix	trans	-60.8	-41.3	178.9	0	0	0	0	0	111.8	A24 I25 E31 H32	A24-A28 PolarHBondContact O-N 3.28Å; I25-A28 PolarHBondContact O-N 3.25Å; A28-E31 PolarHBondContact O-N 2.61Å; A28-H32 VanDerWaalsContact O-CB 3.25Å; A28-H32 WeakPolarHBondContact O-CB 3.34Å; A28-H32 PolarHBondContact O-N 2.72Å
29	H	74.7	Confident	68.4	Low	82 Å²	82	76.2 Å²	76.2	38%	0.38	40%	0.398	S	S	.	.	H	α-helix	trans	-64.9	-41.8	175.9	-66.9	164.4	0	0	0	112.7	I25 K27 H32 A33 I54	I25-H29 WeakPolarHBondContact CG2-CE1 3.4Å; I25-H29 VanDerWaalsContact O-CG 3.28Å; I25-H29 PolarHBondContact O-N 3.06Å; K27-H29 VanDerWaalsContact C-N 3.32Å; K27-H29 PolarHBondContact O-N 3.13Å; H29-H32 PolarHBondContact O-N 3.1Å; H29-A33 WeakPolarHBondContact O-CB 3.46Å; H29-A33 PolarHBondContact O-N 3.27Å; H29-I54 HydrophobicContact CB-CD1 4.18Å
30	I	80.3	Confident	70.6	Confident	9 Å²	9	79.4 Å²	79.4	5%	0.046	41%	0.405	C	S	.	.	H	α-helix	trans	-62.7	-49.3	174.9	-69.8	162.4	0	0	0	110.3	N26 K27 H32 A33 L34 L46 I54 F56	N26-I30 WeakPolarHBondContact O-CD1 3.4Å; N26-I30 VanDerWaalsContact O-CG1 3.24Å; N26-I30 WeakPolarHBondContact O-CG1 3.36Å; N26-I30 PolarHBondContact O-N 3.47Å; N26-I30 VanDerWaalsContact O-N 3.1Å; K27-I30 PolarHBondContact O-N 3.04Å; I30-H32 VanDerWaalsContact C-N 3.3Å; I30-H32 PolarHBondContact O-N 2.82Å; I30-A33 PolarHBondContact O-N 3.27Å; I30-L34 HydrophobicContact CG2-CD1 3.76Å; I30-L34 HydrophobicContact CG2-CG 4.23Å; I30-L34 WeakPolarHBondContact O-CB 3Å; I30-L34 VanDerWaalsContact O-CG 3.26Å; I30-L34 WeakPolarHBondContact O-CG 3.4Å; I30-L34 PolarHBondContact O-N 2.88Å; I30-L46 HydrophobicContact CD1-CD2 3.83Å; I30-I54 HydrophobicContact CB-CD1 4.46Å; I30-I54 HydrophobicContact CG1-CD1 3.81Å; I30-I54 HydrophobicContact CG1-CG2 4.41Å; I30-F56 HydrophobicContact CG2-CE1 4.12Å
31	E	84	Confident	73.1	Confident	91 Å²	91	72.8 Å²	72.8	43%	0.425	37%	0.369	S	S	.	.	H	α-helix	trans	-60.8	-40.2	180	-73.5	178.7	167	0	0	111.6	K27 A28 L34 S35	K27-E31 WeakPolarHBondContact CE-OE1 3.29Å; K27-E31 HydrophobicContact CG-CG 4.34Å; K27-E31 IonicContact NZ-OE1 2.94Å; K27-E31 WeakPolarHBondContact O-CB 3.47Å; K27-E31 WeakPolarHBondContact O-CG 3.19Å; K27-E31 PolarHBondContact O-N 2.68Å; A28-E31 PolarHBondContact O-N 2.61Å; E31-L34 PolarHBondContact O-N 3.15Å; E31-S35 WeakPolarHBondContact O-CB 3.5Å; E31-S35 PolarHBondContact O-N 3.35Å
32	H	82.1	Confident	76	Confident	87 Å²	87	68.5 Å²	68.5	40%	0.403	35%	0.352	S	S	.	.	H	α-helix	trans	-64.5	-49.4	176.2	-175	64	0	0	0	111.9	A28 H29 I30 L34 S35 L36	A28-H32 VanDerWaalsContact O-CB 3.25Å; A28-H32 WeakPolarHBondContact O-CB 3.34Å; A28-H32 PolarHBondContact O-N 2.72Å; H29-H32 PolarHBondContact O-N 3.1Å; I30-H32 VanDerWaalsContact C-N 3.3Å; I30-H32 PolarHBondContact O-N 2.82Å; H32-L34 VanDerWaalsContact C-N 3.29Å; H32-L34 PolarHBondContact O-N 3.09Å; H32-S35 PolarHBondContact O-N 3.15Å; H32-S35 VanDerWaalsContact O-N 3.11Å; H32-S35 PolarHBondContact O-OG 2.92Å; H32-L36 PolarHBondContact O-N 3.36Å
33	A	82.2	Confident	78.6	Confident	5 Å²	5	64.2 Å²	64.2	4%	0.041	33%	0.331	C	S	.	.	H	α-helix	trans	-61.2	-37.7	177.2	0	0	0	0	0	112	H29 I30 L37 I54 F56 Y110	H29-A33 WeakPolarHBondContact O-CB 3.46Å; H29-A33 PolarHBondContact O-N 3.27Å; I30-A33 PolarHBondContact O-N 3.27Å; A33-L37 PolarHBondContact O-N 2.94Å; A33-I54 HydrophobicContact CB-CD1 4.34Å; A33-F56 HydrophobicContact CB-CE2 3.87Å; A33-F56 HydrophobicContact CB-CZ 3.86Å; A33-Y110 PolarHBondContact O-OH 3.42Å
34	L	85	Confident	80.9	Confident	25 Å²	25	67.1 Å²	67.1	13%	0.131	34%	0.34	C	S	.	.	H	α-helix	trans	-71.7	-31.3	174.8	-68.9	178.6	0	0	0	113.3	I30 E31 H32 L36 L37 F43 F56	I30-L34 HydrophobicContact CG2-CD1 3.76Å; I30-L34 HydrophobicContact CG2-CG 4.23Å; I30-L34 WeakPolarHBondContact O-CB 3Å; I30-L34 VanDerWaalsContact O-CG 3.26Å; I30-L34 WeakPolarHBondContact O-CG 3.4Å; I30-L34 PolarHBondContact O-N 2.88Å; E31-L34 PolarHBondContact O-N 3.15Å; H32-L34 VanDerWaalsContact C-N 3.29Å; H32-L34 PolarHBondContact O-N 3.09Å; L34-L36 VanDerWaalsContact C-N 3.26Å; L34-L36 PolarHBondContact O-N 3.48Å; L34-L37 WeakPolarHBondContact O-CB 3.26Å; L34-L37 PolarHBondContact O-N 3.47Å; L34-F43 HydrophobicContact CD1-CD1 4.48Å; L34-F43 HydrophobicContact CD1-CD2 4.32Å; L34-F43 HydrophobicContact CD1-CE2 4.39Å; L34-F43 HydrophobicContact CD1-CG 4.35Å; L34-F43 HydrophobicContact CD1-CZ 4.48Å; L34-F43 HydrophobicContact CD2-CB 3.94Å; L34-F43 HydrophobicContact CD2-CD2 3.38Å; L34-F43 HydrophobicContact CD2-CE2 4.01Å; L34-F43 HydrophobicContact CD2-CG 3.71Å; L34-F43 HydrophobicContact CG-CD2 4.5Å; L34-F56 HydrophobicContact CD2-CD1 4.03Å; L34-F56 HydrophobicContact CD2-CD2 4.37Å; L34-F56 HydrophobicContact CD2-CE1 3.84Å; L34-F56 HydrophobicContact CD2-CE2 4.22Å; L34-F56 HydrophobicContact CD2-CG 4.25Å; L34-F56 HydrophobicContact CD2-CZ 3.93Å; L34-F56 HydrophobicContact CG-CE1 4.1Å; L34-F56 HydrophobicContact CG-CZ 4.08Å
35	S	85.3	Confident	83.2	Confident	84 Å²	84	69.7 Å²	69.7	59%	0.587	34%	0.342	S	S	*	.	H	α-helix	trans	-69.9	-26	177	71.4	0	0	0	0	113.1	E31 H32	E31-S35 WeakPolarHBondContact O-CB 3.5Å; E31-S35 PolarHBondContact O-N 3.35Å; H32-S35 PolarHBondContact O-N 3.15Å; H32-S35 VanDerWaalsContact O-N 3.11Å; H32-S35 PolarHBondContact O-OG 2.92Å
36	L	83.9	Confident	85.1	Confident	31 Å²	31	67 Å²	67	16%	0.162	33%	0.329	C	S	.	.	S	Bend	trans	-96.8	-3.8	179.6	-67.4	-178.3	0	0	0	112.6	H32 L34 P38 N106 Y110	H32-L36 PolarHBondContact O-N 3.36Å; L34-L36 VanDerWaalsContact C-N 3.26Å; L34-L36 PolarHBondContact O-N 3.48Å; L36-P38 WeakPolarHBondContact O-CD 3.24Å; L36-N106 HydrophobicContact CD1-CB 4.21Å; L36-N106 WeakPolarHBondContact CD2-ND2 3.49Å; L36-Y110 WeakPolarHBondContact CB-OH 3.47Å
37	L	84.6	Confident	86.2	Confident	14 Å²	14	67 Å²	67	7%	0.073	33%	0.328	C	S	.	.	S	Bend	trans	-63.9	124.3	177.1	-172.9	69.5	0	0	0	109.3	A33 L34 E39 Y41 I69 Y110	A33-L37 PolarHBondContact O-N 2.94Å; L34-L37 WeakPolarHBondContact O-CB 3.26Å; L34-L37 PolarHBondContact O-N 3.47Å; L37-E39 PolarHBondContact O-N 2.95Å; L37-Y41 HydrophobicContact CD1-CD2 4.38Å; L37-Y41 HydrophobicContact CD1-CG 4.48Å; L37-Y41 WeakPolarHBondContact CD2-O 3.1Å; L37-I69 HydrophobicContact CD1-CD1 3.66Å; L37-I69 HydrophobicContact CD1-CG2 4.35Å; L37-Y110 HydrophobicContact CD1-CD1 4.37Å; L37-Y110 HydrophobicContact CD1-CE1 4.41Å
38	P	83.8	Confident	86.9	Confident	43 Å²	43	63.2 Å²	63.2	28%	0.279	32%	0.317	S	S	.	.			trans	-54	142.1	-179.5	-26.6	33.5	0	0	0	112	L36 R40 Y41	L36-P38 WeakPolarHBondContact O-CD 3.24Å; P38-R40 PolarHBondContact O-N 2.73Å; P38-Y41 HydrophobicContact CB-CD2 4.07Å; P38-Y41 HydrophobicContact CB-CE2 4.46Å; P38-Y41 HydrophobicContact CG-CD2 4.17Å; P38-Y41 HydrophobicContact CG-CE2 4.41Å; P38-Y41 PolarHBondContact O-N 3.13Å
39	E	87.7	Confident	87.3	Confident	174 Å²	174	63.8 Å²	63.8	81%	0.813	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-24	-175.5	-68.3	-169.6	165.4	0	0	114	L37 Y41 K61	L37-E39 PolarHBondContact O-N 2.95Å; E39-Y41 VanDerWaalsContact C-N 3.26Å; E39-Y41 PolarHBondContact O-N 3.37Å; E39-K61 WeakPolarHBondContact O-CE 3.41Å; E39-K61 PolarHBondContact O-NZ 3.29Å
40	R	93.6	Very high	87.3	Confident	91 Å²	91	63.8 Å²	63.8	34%	0.343	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-35.8	173.1	175.2	179	170.3	-165.8	-4.7	113.2	P38 D60 K61 A62 E101	P38-R40 PolarHBondContact O-N 2.73Å; R40-D60 IonicContact CZ-OD1 2.77Å; R40-D60 IonicContact CZ-OD2 2.69Å; R40-D60 IonicContact NE-OD1 3.59Å; R40-D60 PolarHBondContact NE-OD1 3.37Å; R40-D60 IonicContact NE-OD2 3.78Å; R40-D60 IonicContact NH2-OD1 3.84Å; R40-D60 PolarHBondContact NH2-OD1 3.23Å; R40-D60 IonicContact NH2-OD2 3.84Å; R40-D60 PolarHBondContact NH2-OD2 3.2Å; R40-K61 WeakPolarHBondContact O-CB 3.43Å; R40-K61 WeakPolarHBondContact O-CE 3.27Å; R40-K61 WeakPolarHBondContact O-CG 3.01Å; R40-K61 PolarHBondContact O-N 3.29Å; R40-K61 VanDerWaalsContact O-N 3.1Å; R40-A62 HydrophobicContact CG-CB 4.13Å; R40-E101 IonicContact CZ-OE2 3.37Å; R40-E101 IonicContact NH1-OE2 2.82Å; R40-E101 PolarHBondContact NH1-OE2 3.5Å
41	Y	94.7	Very high	86.8	Confident	5 Å²	5	66.5 Å²	66.5	2%	0.02	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	117.3	-175.8	-60.5	-69	0	0	0	110.2	L37 P38 E39 N59 D60 V67 I69 E101 V112	L37-Y41 HydrophobicContact CD1-CD2 4.38Å; L37-Y41 HydrophobicContact CD1-CG 4.48Å; L37-Y41 WeakPolarHBondContact CD2-O 3.1Å; P38-Y41 HydrophobicContact CB-CD2 4.07Å; P38-Y41 HydrophobicContact CB-CE2 4.46Å; P38-Y41 HydrophobicContact CG-CD2 4.17Å; P38-Y41 HydrophobicContact CG-CE2 4.41Å; P38-Y41 PolarHBondContact O-N 3.13Å; E39-Y41 VanDerWaalsContact C-N 3.26Å; E39-Y41 PolarHBondContact O-N 3.37Å; Y41-N59 WeakPolarHBondContact CA-O 3.37Å; Y41-D60 HydrophobicContact CD1-CB 4.07Å; Y41-D60 HydrophobicContact CE1-CB 3.88Å; Y41-V67 HydrophobicContact CD1-CG2 3.94Å; Y41-V67 HydrophobicContact CE1-CG2 4.07Å; Y41-I69 HydrophobicContact CD1-CD1 3.75Å; Y41-I69 HydrophobicContact CD2-CD1 4.07Å; Y41-I69 HydrophobicContact CE1-CD1 4.32Å; Y41-I69 HydrophobicContact CG-CD1 3.62Å; Y41-E101 PolarHBondContact OH-OE2 3.46Å; Y41-V112 HydrophobicContact CE1-CG1 3.83Å; Y41-V112 HydrophobicContact CE1-CG2 4.3Å; Y41-V112 HydrophobicContact CE2-CG2 4.05Å
42	E	94.6	Very high	86.2	Confident	93 Å²	93	64.6 Å²	64.6	44%	0.435	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	117.9	174.2	177.3	-176.5	-134.6	0	0	109.6	C58 N59 K61	E42-C58 CarbonylContact O-C 3.58Å; E42-C58 WeakPolarHBondContact O-CA 3.5Å; E42-C58 WeakPolarHBondContact O-CB 3.42Å; E42-N59 HydrophobicContact CB-CB 4.26Å; E42-N59 PolarHBondContact N-O 2.9Å; E42-N59 PolarHBondContact O-N 3.37Å; E42-N59 PolarHBondContact OE2-ND2 2.84Å; E42-K61 HydrophobicContact CB-CD 4.49Å
43	F	94.4	Very high	86.1	Confident	53 Å²	53	60.6 Å²	60.6	23%	0.232	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	134.9	176.9	170.4	-101.2	0	0	0	112	F12 L34 F56	F12-F43 HydrophobicContact CE2-CE1 4.35Å; F12-F43 HydrophobicContact CZ-CE1 4.29Å; F12-F43 HydrophobicContact CZ-CZ 4.1Å; L34-F43 HydrophobicContact CD1-CD1 4.48Å; L34-F43 HydrophobicContact CD1-CD2 4.32Å; L34-F43 HydrophobicContact CD1-CE2 4.39Å; L34-F43 HydrophobicContact CD1-CG 4.35Å; L34-F43 HydrophobicContact CD1-CZ 4.48Å; L34-F43 HydrophobicContact CD2-CB 3.94Å; L34-F43 HydrophobicContact CD2-CD2 3.38Å; L34-F43 HydrophobicContact CD2-CE2 4.01Å; L34-F43 HydrophobicContact CD2-CG 3.71Å; L34-F43 HydrophobicContact CG-CD2 4.5Å; F43-F56 HydrophobicContact CD2-CB 4.21Å; F43-F56 HydrophobicContact CD2-CD1 4.02Å; F43-F56 HydrophobicContact CD2-CG 4.32Å; F43-F56 HydrophobicContact CE2-CB 4.37Å; F43-F56 AromaticContact CE2-CD1 3.67Å; F43-F56 HydrophobicContact CE2-CD1 3.67Å; F43-F56 HydrophobicContact CE2-CE1 4.35Å; F43-F56 HydrophobicContact CE2-CG 4.35Å
44	R	94.2	Very high	86.4	Confident	133 Å²	133	60.8 Å²	60.8	50%	0.502	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-56.1	175.7	-171.4	-176.1	-177.8	-156.7	1.5	112.3	S57 Q66	R44-S57 WeakPolarHBondContact CB-O 3.38Å; R44-S57 PolarHBondContact N-O 2.85Å; R44-Q66 VanDerWaalsContact NH1-NE2 3.1Å
45	Q	93.2	Very high	86.8	Confident	112 Å²	112	61 Å²	61	52%	0.523	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	145.9	-172.3	-173	178.5	1.2	0	0	111.9	L47 F56 S57	Q45-L47 PolarHBondContact O-N 3.39Å; Q45-F56 CarbonylContact O-C 3.5Å; Q45-F56 WeakPolarHBondContact O-CA 3.32Å; Q45-S57 PolarHBondContact N-O 3.4Å; Q45-S57 PolarHBondContact O-N 2.94Å
46	L	92.2	Very high	87.2	Confident	35 Å²	35	57.1 Å²	57.1	18%	0.183	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	117.7	165.7	177.9	68.4	0	0	0	109.5	F14 I30 I54 F56	F14-L46 HydrophobicContact CZ-CD2 4.28Å; I30-L46 HydrophobicContact CD1-CD2 3.83Å; L46-I54 HydrophobicContact CD1-CG2 3.35Å; L46-F56 HydrophobicContact CD1-CD1 3.97Å; L46-F56 HydrophobicContact CD1-CE1 3.86Å
47	L	91.4	Very high	87.7	Confident	64 Å²	64	55.7 Å²	55.7	34%	0.335	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-40.8	179.2	-64	179.2	0	0	0	112.1	Q45 I55 A68	Q45-L47 PolarHBondContact O-N 3.39Å; L47-I55 HydrophobicContact CB-CB 4.34Å; L47-I55 HydrophobicContact CB-CG2 4.13Å; L47-I55 HydrophobicContact CD1-CG2 4.09Å; L47-I55 PolarHBondContact N-O 3.42Å; L47-A68 HydrophobicContact CD1-CB 4.27Å
48	S	87.8	Confident	88.3	Confident	44 Å²	44	55 Å²	55	31%	0.308	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	148.9	-177.9	-173	0	0	0	0	111.6	I55	S48-I55 PolarHBondContact N-O 2.98Å; S48-I55 PolarHBondContact O-N 3.39Å
49	Q	84.2	Confident	88.8	Confident	64 Å²	64	55.3 Å²	55.3	30%	0.299	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	120.7	168.2	177.1	174.2	33.9	0	0	108.1	N26 I54	N26-Q49 PolarHBondContact O-NE2 3.36Å; Q49-I54 HydrophobicContact CG-CG1 4.25Å
50	N	74.4	Confident	89.2	Confident	83 Å²	83	47 Å²	47	44%	0.444	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	-178.4	175.2	66.1	32.1	0	0	0	110.6	C52 G53	N50-C52 PolarHBondContact O-N 3.38Å; N50-C52 WeakPolarHBondContact OD1-CA 3.43Å; N50-C52 VanDerWaalsContact OD1-CB 3.28Å; N50-C52 WeakPolarHBondContact OD1-CB 3.39Å; N50-C52 PolarHBondContact OD1-N 2.82Å; N50-G53 PolarHBondContact N-O 3.33Å; N50-G53 PolarHBondContact O-N 3.07Å; N50-G53 VanDerWaalsContact O-N 3.1Å; N50-G53 VanDerWaalsContact O-O 3.07Å; N50-G53 PolarHBondContact OD1-N 3.46Å
51	G	70.5	Confident	89.3	Confident	66 Å²	66	48.5 Å²	48.5	68%	0.68	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-14.8	-179.7	0	0	0	0	0	114.9
52	C	69.7	Low	89.3	Confident	51 Å²	51	51.7 Å²	51.7	35%	0.345	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-6.5	179.7	-52.4	0	0	0	0	113.3	N50	N50-C52 PolarHBondContact O-N 3.38Å; N50-C52 WeakPolarHBondContact OD1-CA 3.43Å; N50-C52 VanDerWaalsContact OD1-CB 3.28Å; N50-C52 WeakPolarHBondContact OD1-CB 3.39Å; N50-C52 PolarHBondContact OD1-N 2.82Å
53	G	81.1	Confident	89.2	Confident	2 Å²	2	49.4 Å²	49.4	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	145.3	-172.2	-179.8	0	0	0	0	0	114.3	N50 T71	N50-G53 PolarHBondContact N-O 3.33Å; N50-G53 PolarHBondContact O-N 3.07Å; N50-G53 VanDerWaalsContact O-N 3.1Å; N50-G53 VanDerWaalsContact O-O 3.07Å; N50-G53 PolarHBondContact OD1-N 3.46Å; G53-T71 WeakPolarHBondContact CA-O 3.48Å
54	I	88.8	Confident	89.2	Confident	10 Å²	10	56.1 Å²	56.1	5%	0.051	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	140.6	175.2	-53	170.3	0	0	0	108.1	H29 I30 A33 L46 Q49 F56 K70 T71	H29-I54 HydrophobicContact CB-CD1 4.18Å; I30-I54 HydrophobicContact CB-CD1 4.46Å; I30-I54 HydrophobicContact CG1-CD1 3.81Å; I30-I54 HydrophobicContact CG1-CG2 4.41Å; A33-I54 HydrophobicContact CB-CD1 4.34Å; L46-I54 HydrophobicContact CD1-CG2 3.35Å; Q49-I54 HydrophobicContact CG-CG1 4.25Å; I54-F56 HydrophobicContact CB-CE1 4.41Å; I54-F56 HydrophobicContact CB-CE2 4.23Å; I54-F56 HydrophobicContact CB-CZ 3.93Å; I54-F56 HydrophobicContact CD1-CZ 4.39Å; I54-F56 HydrophobicContact CG2-CD1 3.94Å; I54-F56 HydrophobicContact CG2-CD2 4.49Å; I54-F56 HydrophobicContact CG2-CE1 3.28Å; I54-F56 HydrophobicContact CG2-CE2 3.88Å; I54-F56 HydrophobicContact CG2-CZ 3.25Å; I54-K70 CarbonylContact O-C 3.58Å; I54-K70 WeakPolarHBondContact O-CA 3.22Å; I54-T71 PolarHBondContact N-O 2.87Å; I54-T71 VanDerWaalsContact N-O 3.15Å; I54-T71 PolarHBondContact O-N 3.37Å; I54-T71 PolarHBondContact O-OG1 3.2Å
55	I	92.9	Very high	89.1	Confident	30 Å²	30	53.6 Å²	53.6	15%	0.154	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	124.7	176	-52	179.2	0	0	0	108.9	L47 S48 A68 I69 K70 M113	L47-I55 HydrophobicContact CB-CB 4.34Å; L47-I55 HydrophobicContact CB-CG2 4.13Å; L47-I55 HydrophobicContact CD1-CG2 4.09Å; L47-I55 PolarHBondContact N-O 3.42Å; S48-I55 PolarHBondContact N-O 2.98Å; S48-I55 PolarHBondContact O-N 3.39Å; I55-A68 HydrophobicContact CG2-CB 4.44Å; I55-I69 CarbonylContact C-O 3.49Å; I55-I69 WeakPolarHBondContact CA-O 3.41Å; I55-K70 HydrophobicContact CD1-CD 4.48Å; I55-K70 HydrophobicContact CG1-CB 4.23Å; I55-K70 HydrophobicContact CG1-CG 4.04Å; I55-M113 HydrophobicContact CG2-CE 4.34Å
56	F	93.9	Very high	89.2	Confident	1 Å²	1	51.4 Å²	51.4	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	146.9	177.7	-52.3	-65.1	0	0	0	111.1	I30 A33 L34 F43 Q45 L46 I54 A68 I69 T71	I30-F56 HydrophobicContact CG2-CE1 4.12Å; A33-F56 HydrophobicContact CB-CE2 3.87Å; A33-F56 HydrophobicContact CB-CZ 3.86Å; L34-F56 HydrophobicContact CD2-CD1 4.03Å; L34-F56 HydrophobicContact CD2-CD2 4.37Å; L34-F56 HydrophobicContact CD2-CE1 3.84Å; L34-F56 HydrophobicContact CD2-CE2 4.22Å; L34-F56 HydrophobicContact CD2-CG 4.25Å; L34-F56 HydrophobicContact CD2-CZ 3.93Å; L34-F56 HydrophobicContact CG-CE1 4.1Å; L34-F56 HydrophobicContact CG-CZ 4.08Å; F43-F56 HydrophobicContact CD2-CB 4.21Å; F43-F56 HydrophobicContact CD2-CD1 4.02Å; F43-F56 HydrophobicContact CD2-CG 4.32Å; F43-F56 HydrophobicContact CE2-CB 4.37Å; F43-F56 AromaticContact CE2-CD1 3.67Å; F43-F56 HydrophobicContact CE2-CD1 3.67Å; F43-F56 HydrophobicContact CE2-CE1 4.35Å; F43-F56 HydrophobicContact CE2-CG 4.35Å; Q45-F56 CarbonylContact O-C 3.5Å; Q45-F56 WeakPolarHBondContact O-CA 3.32Å; L46-F56 HydrophobicContact CD1-CD1 3.97Å; L46-F56 HydrophobicContact CD1-CE1 3.86Å; I54-F56 HydrophobicContact CB-CE1 4.41Å; I54-F56 HydrophobicContact CB-CE2 4.23Å; I54-F56 HydrophobicContact CB-CZ 3.93Å; I54-F56 HydrophobicContact CD1-CZ 4.39Å; I54-F56 HydrophobicContact CG2-CD1 3.94Å; I54-F56 HydrophobicContact CG2-CD2 4.49Å; I54-F56 HydrophobicContact CG2-CE1 3.28Å; I54-F56 HydrophobicContact CG2-CE2 3.88Å; I54-F56 HydrophobicContact CG2-CZ 3.25Å; F56-A68 CarbonylContact O-C 3.41Å; F56-A68 VanDerWaalsContact O-CA 3.27Å; F56-A68 WeakPolarHBondContact O-CA 3.33Å; F56-I69 PolarHBondContact N-O 3.14Å; F56-I69 PolarHBondContact O-N 3.46Å; F56-T71 HydrophobicContact CD2-CG2 4.14Å; F56-T71 HydrophobicContact CE2-CG2 3.83Å
57	S	94.8	Very high	89.4	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.007	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	131.7	157.2	-178.1	0	0	0	0	108	R44 Q45 H115	R44-S57 WeakPolarHBondContact CB-O 3.38Å; R44-S57 PolarHBondContact N-O 2.85Å; Q45-S57 PolarHBondContact N-O 3.4Å; Q45-S57 PolarHBondContact O-N 2.94Å; S57-H115 VanDerWaalsContact CB-NE2 3.33Å; S57-H115 WeakPolarHBondContact CB-NE2 3.32Å; S57-H115 PolarHBondContact OG-CD2 3.46Å; S57-H115 PolarHBondContact OG-NE2 3.32Å
58	C	95.7	Very high	89.6	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	153.8	179.2	-64.4	0	0	0	0	110.9	E42 Q66 V67 I69	E42-C58 CarbonylContact O-C 3.58Å; E42-C58 WeakPolarHBondContact O-CA 3.5Å; E42-C58 WeakPolarHBondContact O-CB 3.42Å; C58-Q66 WeakPolarHBondContact O-CA 3.41Å; C58-V67 HydrophobicContact CB-CG2 4.01Å; C58-V67 PolarHBondContact N-O 2.94Å; C58-V67 PolarHBondContact O-N 3.41Å; C58-I69 HydrophobicContact CB-CD1 3.86Å; C58-I69 HydrophobicContact CB-CG1 4.4Å
59	N	95.8	Very high	90	Very high	50 Å²	50	44.9 Å²	44.9	27%	0.267	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	121.1	163.8	-58.2	-35	0	0	0	108.5	Y41 E42 K61	Y41-N59 WeakPolarHBondContact CA-O 3.37Å; E42-N59 HydrophobicContact CB-CB 4.26Å; E42-N59 PolarHBondContact N-O 2.9Å; E42-N59 PolarHBondContact O-N 3.37Å; E42-N59 PolarHBondContact OE2-ND2 2.84Å; N59-K61 PolarHBondContact O-N 3.19Å
60	D	95.6	Very high	90.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	101.9	166.5	-179.1	-12.6	0	0	0	108.4	R40 Y41 A62 A63 K64 R65 V67	R40-D60 IonicContact CZ-OD1 2.77Å; R40-D60 IonicContact CZ-OD2 2.69Å; R40-D60 IonicContact NE-OD1 3.59Å; R40-D60 PolarHBondContact NE-OD1 3.37Å; R40-D60 IonicContact NE-OD2 3.78Å; R40-D60 IonicContact NH2-OD1 3.84Å; R40-D60 PolarHBondContact NH2-OD1 3.23Å; R40-D60 IonicContact NH2-OD2 3.84Å; R40-D60 PolarHBondContact NH2-OD2 3.2Å; Y41-D60 HydrophobicContact CD1-CB 4.07Å; Y41-D60 HydrophobicContact CE1-CB 3.88Å; D60-A62 PolarHBondContact O-N 3.3Å; D60-A62 PolarHBondContact OD1-N 3.36Å; D60-A63 HydrophobicContact CB-CB 4.29Å; D60-A63 PolarHBondContact O-N 3.39Å; D60-A63 PolarHBondContact OD1-N 3.38Å; D60-A63 VanDerWaalsContact OD1-N 3.11Å; D60-A63 VanDerWaalsContact OD2-CB 3.28Å; D60-A63 WeakPolarHBondContact OD2-CB 3.37Å; D60-K64 WeakPolarHBondContact O-CA 3.12Å; D60-K64 PolarHBondContact O-N 3.28Å; D60-R65 HydrophobicContact CB-CG 4.36Å; D60-R65 PolarHBondContact N-O 3.07Å; D60-R65 PolarHBondContact O-N 3.14Å; D60-V67 HydrophobicContact CB-CG1 3.97Å; D60-V67 HydrophobicContact CB-CG2 4.29Å
61	K	95.3	Very high	91.3	Very high	121 Å²	121	38.5 Å²	38.5	53%	0.526	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-29	-176.4	-68	-177.4	-71.2	178.6	0	112.9	E39 R40 E42 N59	E39-K61 WeakPolarHBondContact O-CE 3.41Å; E39-K61 PolarHBondContact O-NZ 3.29Å; R40-K61 WeakPolarHBondContact O-CB 3.43Å; R40-K61 WeakPolarHBondContact O-CE 3.27Å; R40-K61 WeakPolarHBondContact O-CG 3.01Å; R40-K61 PolarHBondContact O-N 3.29Å; R40-K61 VanDerWaalsContact O-N 3.1Å; E42-K61 HydrophobicContact CB-CD 4.49Å; N59-K61 PolarHBondContact O-N 3.19Å
62	A	94.5	Very high	92.1	Very high	73 Å²	73	35.4 Å²	35.4	60%	0.603	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-45.3	-179.5	0	0	0	0	0	111.3	R40 D60	R40-A62 HydrophobicContact CG-CB 4.13Å; D60-A62 PolarHBondContact O-N 3.3Å; D60-A62 PolarHBondContact OD1-N 3.36Å
63	A	93.6	Very high	92.9	Very high	45 Å²	45	35.1 Å²	35.1	37%	0.372	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-4.4	-179.9	0	0	0	0	0	114	D60 R65	D60-A63 HydrophobicContact CB-CB 4.29Å; D60-A63 PolarHBondContact O-N 3.39Å; D60-A63 PolarHBondContact OD1-N 3.38Å; D60-A63 VanDerWaalsContact OD1-N 3.11Å; D60-A63 VanDerWaalsContact OD2-CB 3.28Å; D60-A63 WeakPolarHBondContact OD2-CB 3.37Å; A63-R65 VanDerWaalsContact C-N 3.29Å; A63-R65 HydrophobicContact CB-CG 3.95Å; A63-R65 PolarHBondContact O-N 3Å
64	K	93.2	Very high	93	Very high	194 Å²	194	39.9 Å²	39.9	84%	0.843	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	42.7	-178.3	-59	-176.9	-179.1	179.3	0	113.4	D60	D60-K64 WeakPolarHBondContact O-CA 3.12Å; D60-K64 PolarHBondContact O-N 3.28Å
65	R	93.3	Very high	92.6	Very high	79 Å²	79	43.7 Å²	43.7	30%	0.298	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	161.8	-179.8	67.8	-178.8	173.9	-172.9	-3.3	112	D60 A63 V67 Y100	D60-R65 HydrophobicContact CB-CG 4.36Å; D60-R65 PolarHBondContact N-O 3.07Å; D60-R65 PolarHBondContact O-N 3.14Å; A63-R65 VanDerWaalsContact C-N 3.29Å; A63-R65 HydrophobicContact CB-CG 3.95Å; A63-R65 PolarHBondContact O-N 3Å; R65-V67 HydrophobicContact CG-CG1 4.11Å; R65-Y100 VanDerWaalsContact CZ-CE2 3.47Å; R65-Y100 VanDerWaalsContact NH1-CZ 3.26Å; R65-Y100 VanDerWaalsContact NH2-CD1 3.26Å; R65-Y100 VanDerWaalsContact NH2-CD2 3.3Å
66	Q	94.8	Very high	92.1	Very high	66 Å²	66	47.8 Å²	47.8	31%	0.308	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	141.1	169.4	-67.2	179	18.8	0	0	110.4	R44 C58 H115	R44-Q66 VanDerWaalsContact NH1-NE2 3.1Å; C58-Q66 WeakPolarHBondContact O-CA 3.41Å; Q66-H115 HydrophobicContact CB-CB 4.15Å
67	V	96	Very high	91.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	151.2	178.5	-62.2	0	0	0	0	110.1	Y41 C58 D60 R65 I69 Y100 V112	Y41-V67 HydrophobicContact CD1-CG2 3.94Å; Y41-V67 HydrophobicContact CE1-CG2 4.07Å; C58-V67 HydrophobicContact CB-CG2 4.01Å; C58-V67 PolarHBondContact N-O 2.94Å; C58-V67 PolarHBondContact O-N 3.41Å; D60-V67 HydrophobicContact CB-CG1 3.97Å; D60-V67 HydrophobicContact CB-CG2 4.29Å; R65-V67 HydrophobicContact CG-CG1 4.11Å; V67-I69 HydrophobicContact CG2-CD1 4.13Å; V67-I69 HydrophobicContact CG2-CG1 4Å; V67-Y100 HydrophobicContact CG1-CD2 3.81Å; V67-Y100 HydrophobicContact CG1-CE2 3.95Å; V67-V112 HydrophobicContact CB-CG1 3.83Å; V67-V112 HydrophobicContact CG1-CG1 4.03Å; V67-V112 HydrophobicContact CG2-CG1 3.9Å
68	A	96.1	Very high	90.7	Very high	6 Å²	6	53.2 Å²	53.2	5%	0.05	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	137	163.9	0	0	0	0	0	108.9	L47 I55 F56 M113	L47-A68 HydrophobicContact CD1-CB 4.27Å; I55-A68 HydrophobicContact CG2-CB 4.44Å; F56-A68 CarbonylContact O-C 3.41Å; F56-A68 VanDerWaalsContact O-CA 3.27Å; F56-A68 WeakPolarHBondContact O-CA 3.33Å; A68-M113 HydrophobicContact CB-CE 3.98Å; A68-M113 HydrophobicContact CB-CG 3.98Å; A68-M113 PolarHBondContact N-O 3.33Å; A68-M113 WeakPolarHBondContact O-CG 3.47Å; A68-M113 PolarHBondContact O-N 2.92Å
69	I	95.4	Very high	90.2	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	113.7	179.4	-55.7	-176.7	0	0	0	108.4	L37 Y41 I55 F56 C58 V67 T71 Y110 L111 V112	L37-I69 HydrophobicContact CD1-CD1 3.66Å; L37-I69 HydrophobicContact CD1-CG2 4.35Å; Y41-I69 HydrophobicContact CD1-CD1 3.75Å; Y41-I69 HydrophobicContact CD2-CD1 4.07Å; Y41-I69 HydrophobicContact CE1-CD1 4.32Å; Y41-I69 HydrophobicContact CG-CD1 3.62Å; I55-I69 CarbonylContact C-O 3.49Å; I55-I69 WeakPolarHBondContact CA-O 3.41Å; F56-I69 PolarHBondContact N-O 3.14Å; F56-I69 PolarHBondContact O-N 3.46Å; C58-I69 HydrophobicContact CB-CD1 3.86Å; C58-I69 HydrophobicContact CB-CG1 4.4Å; V67-I69 HydrophobicContact CG2-CD1 4.13Å; V67-I69 HydrophobicContact CG2-CG1 4Å; I69-T71 HydrophobicContact CG2-CG2 4.22Å; I69-Y110 HydrophobicContact CG2-CD1 3.97Å; I69-L111 WeakPolarHBondContact CA-O 3.35Å; I69-V112 HydrophobicContact CD1-CG2 4.27Å; I69-V112 HydrophobicContact CG1-CG1 4.28Å; I69-V112 HydrophobicContact CG1-CG2 4.18Å
70	K	94	Very high	89.9	Confident	9 Å²	9	54.4 Å²	54.4	4%	0.039	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	133	173.5	-175.1	173.6	-169.8	-177.2	0	109.5	I54 I55 L80 E83 L111 M113 D182	I54-K70 CarbonylContact O-C 3.58Å; I54-K70 WeakPolarHBondContact O-CA 3.22Å; I55-K70 HydrophobicContact CD1-CD 4.48Å; I55-K70 HydrophobicContact CG1-CB 4.23Å; I55-K70 HydrophobicContact CG1-CG 4.04Å; K70-L80 HydrophobicContact CD-CD2 3.83Å; K70-L80 HydrophobicContact CG-CD1 4.47Å; K70-L80 HydrophobicContact CG-CD2 4.1Å; K70-E83 WeakPolarHBondContact CD-OE2 3.38Å; K70-E83 IonicContact NZ-OE1 3.56Å; K70-E83 PolarHBondContact NZ-OE1 2.55Å; K70-E83 IonicContact NZ-OE2 3.83Å; K70-E83 PolarHBondContact NZ-OE2 2.9Å; K70-L111 HydrophobicContact CB-CB 4.41Å; K70-L111 PolarHBondContact N-O 3.35Å; K70-L111 PolarHBondContact O-N 2.92Å; K70-M113 HydrophobicContact CB-CE 4.02Å; K70-D182 IonicContact NZ-OD1 3.73Å
71	T	91.8	Very high	89.6	Confident	4 Å²	4	59.4 Å²	59.4	3%	0.025	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	137.9	-179.4	69.5	0	0	0	0	111.6	G53 I54 F56 I69 E109 Y110	G53-T71 WeakPolarHBondContact CA-O 3.48Å; I54-T71 PolarHBondContact N-O 2.87Å; I54-T71 VanDerWaalsContact N-O 3.15Å; I54-T71 PolarHBondContact O-N 3.37Å; I54-T71 PolarHBondContact O-OG1 3.2Å; F56-T71 HydrophobicContact CD2-CG2 4.14Å; F56-T71 HydrophobicContact CE2-CG2 3.83Å; I69-T71 HydrophobicContact CG2-CG2 4.22Å; T71-E109 VanDerWaalsContact CA-O 3.22Å; T71-E109 WeakPolarHBondContact CA-O 2.97Å; T71-Y110 HydrophobicContact CG2-CD1 3.48Å; T71-Y110 VanDerWaalsContact CG2-CD1 3.48Å; T71-Y110 HydrophobicContact CG2-CE1 3.48Å; T71-Y110 VanDerWaalsContact CG2-CE1 3.48Å; T71-Y110 HydrophobicContact CG2-CG 4.39Å
72	C	88.2	Confident	89.4	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	149.1	167.6	78.4	0	0	0	0	111.6	Q77 L80 T108 E109	C72-Q77 VanDerWaalsContact CA-OE1 3.24Å; C72-Q77 HydrophobicContact CB-CB 4.02Å; C72-L80 HydrophobicContact CB-CD2 4.38Å; C72-L80 HydrophobicContact CB-CG 4.32Å; C72-T108 CarbonylContact O-C 3.55Å; C72-T108 WeakPolarHBondContact O-CA 3.4Å; C72-E109 PolarHBondContact N-O 2.9Å; C72-E109 VanDerWaalsContact N-O 3.17Å; C72-E109 PolarHBondContact O-N 2.91Å
73	I	85.4	Confident	89.4	Confident	45 Å²	45	53 Å²	53	23%	0.231	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	119	174	-57.4	171.8	0	0	0	108.8	V76 Q77	I73-V76 HydrophobicContact CB-CB 4.15Å; I73-V76 HydrophobicContact CB-CG2 4.37Å; I73-V76 HydrophobicContact CG2-CB 4.12Å; I73-V76 HydrophobicContact CG2-CG2 3.79Å; I73-V76 PolarHBondContact O-N 3.06Å; I73-V76 VanDerWaalsContact O-N 3.16Å; I73-Q77 PolarHBondContact O-N 3.44Å
74	R	84.3	Confident	89.5	Confident	103 Å²	103	51.2 Å²	51.2	39%	0.389	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	138.9	177.6	-73.5	-173.9	166.5	163.4	8	110.8	V76 Y102 T104 D107 E109	R74-V76 PolarHBondContact O-N 3.44Å; R74-V76 VanDerWaalsContact O-N 3.1Å; R74-Y102 PolarHBondContact NH2-OH 2.84Å; R74-T104 PolarHBondContact NH2-OG1 3.01Å; R74-D107 HydrophobicContact CB-CB 4.37Å; R74-D107 VanDerWaalsContact CB-O 3.31Å; R74-D107 WeakPolarHBondContact CB-O 3.12Å; R74-D107 WeakPolarHBondContact CG-O 3.24Å; R74-D107 PolarHBondContact N-O 2.85Å; R74-E109 HydrophobicContact CG-CG 3.77Å; R74-E109 IonicContact CZ-OE1 3.26Å; R74-E109 VanDerWaalsContact CZ-OE1 3.26Å; R74-E109 IonicContact NE-OE1 2.7Å; R74-E109 PolarHBondContact NE-OE1 3.44Å; R74-E109 IonicContact NH2-OE1 2.71Å; R74-E109 PolarHBondContact NH2-OE1 3.2Å
75	G	80.9	Confident	89.6	Confident	90 Å²	90	45.7 Å²	45.7	93%	0.928	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	-14.9	-179.3	0	0	0	0	0	115.2
76	V	81.1	Confident	89.8	Confident	115 Å²	115	42 Å²	42	70%	0.697	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-44.3	176.6	-177.5	0	0	0	0	111.1	I73 R74	I73-V76 HydrophobicContact CB-CB 4.15Å; I73-V76 HydrophobicContact CB-CG2 4.37Å; I73-V76 HydrophobicContact CG2-CB 4.12Å; I73-V76 HydrophobicContact CG2-CG2 3.79Å; I73-V76 PolarHBondContact O-N 3.06Å; I73-V76 VanDerWaalsContact O-N 3.16Å; R74-V76 PolarHBondContact O-N 3.44Å; R74-V76 VanDerWaalsContact O-N 3.1Å
77	Q	80	Confident	89.9	Confident	42 Å²	42	39.1 Å²	39.1	20%	0.196	23%	0.225	C	C	.	.	S	Bend	trans	-113.5	159.6	-178.7	-69.2	175.4	-40.2	0	0	110.4	C72 I73 D79	C72-Q77 VanDerWaalsContact CA-OE1 3.24Å; C72-Q77 HydrophobicContact CB-CB 4.02Å; I73-Q77 PolarHBondContact O-N 3.44Å; Q77-D79 PolarHBondContact O-N 3.16Å
78	P	80.5	Confident	89.9	Confident	75 Å²	75	45.6 Å²	45.6	49%	0.487	25%	0.254	S	S	.	.			trans	-53.9	132.7	167.6	-21.5	33.3	0	0	0	109.8
79	D	84	Confident	90	Very high	73 Å²	73	47.5 Å²	47.5	39%	0.39	27%	0.269	S	S	.	.			trans	-65.8	165.6	175.2	62.3	59	0	0	0	111.9	Q77 Q81	Q77-D79 PolarHBondContact O-N 3.16Å; D79-Q81 VanDerWaalsContact C-N 3.33Å; D79-Q81 HydrophobicContact CB-CG 4.28Å; D79-Q81 VanDerWaalsContact OD1-CB 3.23Å; D79-Q81 WeakPolarHBondContact OD1-CB 3.45Å; D79-Q81 VanDerWaalsContact OD1-CG 3.32Å; D79-Q81 WeakPolarHBondContact OD1-CG 3.44Å; D79-Q81 PolarHBondContact OD1-N 2.92Å
80	L	90.4	Very high	90.1	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	27%	0.27	C	S	.	.	S	Bend	trans	-94.3	15.2	-179.4	-55.8	175.6	0	0	0	112.3	K70 C72 V82 E83 C84 Y102 E109 L111	K70-L80 HydrophobicContact CD-CD2 3.83Å; K70-L80 HydrophobicContact CG-CD1 4.47Å; K70-L80 HydrophobicContact CG-CD2 4.1Å; C72-L80 HydrophobicContact CB-CD2 4.38Å; C72-L80 HydrophobicContact CB-CG 4.32Å; L80-V82 PolarHBondContact O-N 3.43Å; L80-E83 PolarHBondContact O-N 3Å; L80-C84 PolarHBondContact O-N 3.24Å; L80-C84 PolarHBondContact O-SG 3.04Å; L80-Y102 HydrophobicContact CB-CE2 4.16Å; L80-E109 WeakPolarHBondContact CB-OE2 3.35Å; L80-E109 HydrophobicContact CD1-CB 4.04Å; L80-E109 HydrophobicContact CG-CB 4.47Å; L80-E109 PolarHBondContact N-OE2 3.5Å; L80-L111 HydrophobicContact CD1-CB 3.72Å
81	Q	90.1	Very high	90.2	Very high	106 Å²	106	55.3 Å²	55.3	50%	0.495	30%	0.304	S	S	.	.	H	α-helix	trans	-62.6	-47	-172.8	-67	-174.7	-8.7	0	0	111.6	D79 E83 C84 E85	D79-Q81 VanDerWaalsContact C-N 3.33Å; D79-Q81 HydrophobicContact CB-CG 4.28Å; D79-Q81 VanDerWaalsContact OD1-CB 3.23Å; D79-Q81 WeakPolarHBondContact OD1-CB 3.45Å; D79-Q81 VanDerWaalsContact OD1-CG 3.32Å; D79-Q81 WeakPolarHBondContact OD1-CG 3.44Å; D79-Q81 PolarHBondContact OD1-N 2.92Å; Q81-E83 VanDerWaalsContact C-N 3.3Å; Q81-E83 PolarHBondContact O-N 3.34Å; Q81-C84 PolarHBondContact O-N 2.88Å; Q81-E85 WeakPolarHBondContact O-CG 3.4Å; Q81-E85 PolarHBondContact O-N 3.3Å
82	V	90.6	Very high	90.4	Very high	52 Å²	52	60.4 Å²	60.4	32%	0.315	34%	0.34	S	S	.	.	H	α-helix	trans	-59.1	-43.4	178.5	176.5	0	0	0	0	110.9	L80 E85 V86 Y183 C186	L80-V82 PolarHBondContact O-N 3.43Å; V82-E85 PolarHBondContact O-N 3.24Å; V82-V86 HydrophobicContact CG1-CG2 4.4Å; V82-V86 VanDerWaalsContact O-CG2 3.28Å; V82-V86 WeakPolarHBondContact O-CG2 3.5Å; V82-V86 PolarHBondContact O-N 3.37Å; V82-Y183 WeakPolarHBondContact CG1-O 3.42Å; V82-C186 HydrophobicContact CG1-CB 3.99Å
83	E	94.2	Very high	90.8	Very high	8 Å²	8	61.1 Å²	61.1	4%	0.037	35%	0.345	C	S	.	.	H	α-helix	trans	-63.5	-46	178.4	-71.2	175.6	-114.2	0	0	111.6	K70 L80 Q81 E85 V86 M87 L111 S184	K70-E83 WeakPolarHBondContact CD-OE2 3.38Å; K70-E83 IonicContact NZ-OE1 3.56Å; K70-E83 PolarHBondContact NZ-OE1 2.55Å; K70-E83 IonicContact NZ-OE2 3.83Å; K70-E83 PolarHBondContact NZ-OE2 2.9Å; L80-E83 PolarHBondContact O-N 3Å; Q81-E83 VanDerWaalsContact C-N 3.3Å; Q81-E83 PolarHBondContact O-N 3.34Å; E83-E85 VanDerWaalsContact C-N 3.33Å; E83-E85 PolarHBondContact O-N 3.01Å; E83-V86 PolarHBondContact O-N 2.97Å; E83-M87 WeakPolarHBondContact O-CB 3.29Å; E83-M87 WeakPolarHBondContact O-CG 3.46Å; E83-M87 PolarHBondContact O-N 3Å; E83-L111 HydrophobicContact CB-CD2 4.05Å; E83-S184 WeakPolarHBondContact OE1-CB 3.05Å
84	C	95.1	Very high	91.3	Very high	6 Å²	6	64.4 Å²	64.4	4%	0.041	36%	0.359	C	S	.	.	H	α-helix	trans	-61.9	-40.5	176.3	-65.7	0	0	0	0	112.1	L80 Q81 K88 Y102	L80-C84 PolarHBondContact O-N 3.24Å; L80-C84 PolarHBondContact O-SG 3.04Å; Q81-C84 PolarHBondContact O-N 2.88Å; C84-K88 VanDerWaalsContact O-CB 3.3Å; C84-K88 WeakPolarHBondContact O-CB 3.3Å; C84-K88 WeakPolarHBondContact O-CD 3.34Å; C84-K88 WeakPolarHBondContact O-CG 3.4Å; C84-K88 PolarHBondContact O-N 3.47Å; C84-Y102 WeakPolarHBondContact SG-CD2 3.24Å
85	E	95.3	Very high	92	Very high	79 Å²	79	60.1 Å²	60.1	37%	0.369	34%	0.343	S	S	.	.	H	α-helix	trans	-62.4	-49.3	176.8	-76.2	-171.1	-169.7	0	0	111.9	Q81 V82 E83 K88 A89 Y156 R188	Q81-E85 WeakPolarHBondContact O-CG 3.4Å; Q81-E85 PolarHBondContact O-N 3.3Å; V82-E85 PolarHBondContact O-N 3.24Å; E83-E85 VanDerWaalsContact C-N 3.33Å; E83-E85 PolarHBondContact O-N 3.01Å; E85-K88 PolarHBondContact O-N 2.85Å; E85-A89 WeakPolarHBondContact O-CB 3.42Å; E85-A89 PolarHBondContact O-N 2.88Å; E85-Y156 PolarHBondContact OE2-OH 2.92Å; E85-R188 IonicContact OE1-NH2 3.46Å; E85-R188 IonicContact OE2-CZ 3.9Å; E85-R188 IonicContact OE2-NE 3.53Å; E85-R188 IonicContact OE2-NH2 3.7Å; E85-R188 PolarHBondContact OE2-NH2 2.8Å
86	V	96.6	Very high	92.8	Very high	1 Å²	1	56 Å²	56	1%	0.006	30%	0.3	C	S	.	.	H	α-helix	trans	-62.2	-45.8	179.8	174.1	0	0	0	0	110.7	V82 E83 K88 A89 G90 L151 I154 Y156 Y183 C186	V82-V86 HydrophobicContact CG1-CG2 4.4Å; V82-V86 VanDerWaalsContact O-CG2 3.28Å; V82-V86 WeakPolarHBondContact O-CG2 3.5Å; V82-V86 PolarHBondContact O-N 3.37Å; E83-V86 PolarHBondContact O-N 2.97Å; V86-K88 VanDerWaalsContact C-N 3.34Å; V86-K88 PolarHBondContact O-N 2.79Å; V86-A89 PolarHBondContact O-N 2.97Å; V86-G90 PolarHBondContact O-N 3.25Å; V86-L151 HydrophobicContact CG1-CD1 3.65Å; V86-I154 HydrophobicContact CG1-CD1 4.3Å; V86-Y156 HydrophobicContact CG2-CD1 3.49Å; V86-Y156 VanDerWaalsContact CG2-CD1 3.49Å; V86-Y156 HydrophobicContact CG2-CD2 4.17Å; V86-Y156 HydrophobicContact CG2-CE1 3.51Å; V86-Y156 HydrophobicContact CG2-CE2 4.23Å; V86-Y156 HydrophobicContact CG2-CG 3.82Å; V86-Y183 HydrophobicContact CB-CD2 4.29Å; V86-Y183 HydrophobicContact CB-CG 4.06Å; V86-Y183 HydrophobicContact CG1-CD1 3.75Å; V86-Y183 HydrophobicContact CG1-CD2 4.02Å; V86-Y183 HydrophobicContact CG1-CE1 4.21Å; V86-Y183 HydrophobicContact CG1-CE2 4.45Å; V86-Y183 HydrophobicContact CG1-CG 3.63Å; V86-C186 HydrophobicContact CG2-CB 3.8Å
87	M	97.7	Very high	93.5	Very high	6 Å²	6	50.7 Å²	50.7	3%	0.03	27%	0.268	C	S	.	.	H	α-helix	trans	-66.9	-34	-179.6	-68.6	175	103.6	0	0	113	E83 K91 V97 Q99 L111 M113 Y183	E83-M87 WeakPolarHBondContact O-CB 3.29Å; E83-M87 WeakPolarHBondContact O-CG 3.46Å; E83-M87 PolarHBondContact O-N 3Å; M87-K91 PolarHBondContact O-N 3.31Å; M87-V97 HydrophobicContact CE-CB 4Å; M87-V97 HydrophobicContact CE-CG1 3.44Å; M87-V97 VanDerWaalsContact CE-CG1 3.44Å; M87-V97 WeakPolarHBondContact CE-O 3.05Å; M87-Q99 HydrophobicContact CB-CB 3.76Å; M87-Q99 HydrophobicContact CE-CB 4.22Å; M87-Q99 HydrophobicContact CG-CB 4.48Å; M87-Q99 HydrophobicContact SD-CB 4.05Å; M87-L111 HydrophobicContact SD-CD1 4.23Å; M87-L111 HydrophobicContact SD-CD2 3.86Å; M87-L111 HydrophobicContact SD-CG 4.45Å; M87-M113 HydrophobicContact CE-CB 3.71Å; M87-M113 HydrophobicContact CE-SD 4.15Å; M87-Y183 HydrophobicContact CE-CE2 4.17Å; M87-Y183 HydrophobicContact CG-CD2 3.61Å; M87-Y183 HydrophobicContact CG-CE2 3.35Å; M87-Y183 HydrophobicContact SD-CD2 4.21Å; M87-Y183 HydrophobicContact SD-CE2 4.06Å
88	K	96.9	Very high	94.3	Very high	136 Å²	136	50.8 Å²	50.8	59%	0.591	27%	0.267	S	S	*	.	H	α-helix	trans	-67.2	-44.9	172.7	-76.1	171	-175.6	177.7	0	111.4	C84 E85 V86 G90 K91	C84-K88 VanDerWaalsContact O-CB 3.3Å; C84-K88 WeakPolarHBondContact O-CB 3.3Å; C84-K88 WeakPolarHBondContact O-CD 3.34Å; C84-K88 WeakPolarHBondContact O-CG 3.4Å; C84-K88 PolarHBondContact O-N 3.47Å; E85-K88 PolarHBondContact O-N 2.85Å; V86-K88 VanDerWaalsContact C-N 3.34Å; V86-K88 PolarHBondContact O-N 2.79Å; K88-G90 VanDerWaalsContact C-N 3.34Å; K88-K91 WeakPolarHBondContact O-CB 3.48Å; K88-K91 PolarHBondContact O-N 3.44Å
89	A	96.9	Very high	95	Very high	46 Å²	46	49.3 Å²	49.3	38%	0.38	25%	0.254	S	S	.	.	H	α-helix	trans	-64.6	-38.7	176.8	0	0	0	0	0	111.8	E85 V86 K91 I154 Y156	E85-A89 WeakPolarHBondContact O-CB 3.42Å; E85-A89 PolarHBondContact O-N 2.88Å; V86-A89 PolarHBondContact O-N 2.97Å; A89-K91 VanDerWaalsContact C-N 3.3Å; A89-K91 PolarHBondContact O-N 3.44Å; A89-I154 HydrophobicContact CB-CB 4.37Å; A89-I154 HydrophobicContact CB-CD1 4.09Å; A89-Y156 HydrophobicContact CB-CE2 4.19Å
90	G	97.2	Very high	95.6	Very high	2 Å²	2	49.1 Å²	49.1	2%	0.021	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	17.4	179.2	0	0	0	0	0	115.5	V86 K88 S92 C93 K98	V86-G90 PolarHBondContact O-N 3.25Å; K88-G90 VanDerWaalsContact C-N 3.34Å; G90-S92 PolarHBondContact O-N 3.49Å; G90-S92 VanDerWaalsContact O-N 3.17Å; G90-C93 WeakPolarHBondContact O-CB 3.3Å; G90-C93 PolarHBondContact O-N 3.02Å; G90-C93 VanDerWaalsContact O-N 3.11Å; G90-K98 PolarHBondContact O-NZ 2.77Å
91	K	96.4	Very high	95.8	Very high	171 Å²	171	51.8 Å²	51.8	74%	0.743	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.8	-174.1	-174.3	-178.7	176.8	-173.8	0	113	M87 K88 A89 K98	M87-K91 PolarHBondContact O-N 3.31Å; K88-K91 WeakPolarHBondContact O-CB 3.48Å; K88-K91 PolarHBondContact O-N 3.44Å; A89-K91 VanDerWaalsContact C-N 3.3Å; A89-K91 PolarHBondContact O-N 3.44Å; K91-K98 PolarHBondContact O-NZ 3.13Å
92	S	96.1	Very high	95.9	Very high	112 Å²	112	49.8 Å²	49.8	78%	0.783	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-11.2	178.5	54.3	0	0	0	0	115.2	G90	G90-S92 PolarHBondContact O-N 3.49Å; G90-S92 VanDerWaalsContact O-N 3.17Å
93	C	97.2	Very high	96	Very high	15 Å²	15	49.5 Å²	49.5	10%	0.101	25%	0.248	C	C	.	.			trans	-67.5	148	-176.4	-61.4	0	0	0	0	112.4	G90 L96 K98 E150	G90-C93 WeakPolarHBondContact O-CB 3.3Å; G90-C93 PolarHBondContact O-N 3.02Å; G90-C93 VanDerWaalsContact O-N 3.11Å; C93-L96 HydrophobicContact CB-CB 3.97Å; C93-L96 HydrophobicContact CB-CD1 3.78Å; C93-L96 HydrophobicContact CB-CG 3.71Å; C93-K98 WeakPolarHBondContact O-CE 3.49Å; C93-K98 PolarHBondContact O-NZ 3.17Å; C93-E150 HydrophobicContact CB-CB 4.1Å; C93-E150 HydrophobicContact CB-CG 4.25Å; C93-E150 WeakPolarHBondContact CB-OE2 3.39Å
94	E	96	Very high	95.8	Very high	114 Å²	114	51.4 Å²	51.4	53%	0.533	26%	0.26	S	S	.	.	S	Bend	trans	-83.6	-33.3	-175.9	-65.9	-161.9	178.2	0	0	113.6	E150 K177 Y179	E94-E150 WeakPolarHBondContact CB-OE1 3.46Å; E94-E150 VanDerWaalsContact N-CD 3.32Å; E94-E150 PolarHBondContact N-OE1 3.3Å; E94-E150 PolarHBondContact N-OE2 3.43Å; E94-K177 HydrophobicContact CB-CD 4.34Å; E94-K177 WeakPolarHBondContact O-CD 3.29Å; E94-K177 IonicContact OE2-NZ 3.5Å; E94-K177 PolarHBondContact OE2-NZ 3.02Å; E94-Y179 WeakPolarHBondContact O-CE1 3.49Å
95	H	97.9	Very high	95.4	Very high	13 Å²	13	53.3 Å²	53.3	6%	0.06	27%	0.271	C	S	.	.	S	Bend	trans	-108.4	9.5	-171.6	-59.2	-88.7	0	0	0	113.3	D143 A147 E150 L178 Y179 L180	H95-D143 VanDerWaalsContact CE1-CG 3.48Å; H95-D143 IonicContact CE1-OD1 2.8Å; H95-D143 PolarHBondContact CE1-OD1 3.39Å; H95-D143 IonicContact CE1-OD2 2.72Å; H95-A147 HydrophobicContact CB-CB 3.5Å; H95-A147 VanDerWaalsContact CB-CB 3.5Å; H95-E150 WeakPolarHBondContact CA-OE2 3.28Å; H95-E150 WeakPolarHBondContact CB-OE2 3.27Å; H95-E150 IonicContact CD2-OE1 3.15Å; H95-E150 IonicContact CD2-OE2 3.72Å; H95-E150 PolarHBondContact N-OE2 2.85Å; H95-L178 WeakPolarHBondContact CB-O 3.38Å; H95-L178 PolarHBondContact ND1-O 3.33Å; H95-Y179 CarbonylContact O-C 3.6Å; H95-Y179 VanDerWaalsContact O-CA 3.27Å; H95-Y179 WeakPolarHBondContact O-CA 3.44Å; H95-L180 PolarHBondContact O-N 3.36Å
96	L	98	Very high	94.9	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.016	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-102.4	131.7	173.8	-55.4	-172.1	0	0	0	111	C93 K98 E150 L151 I154 L180 Y183	C93-L96 HydrophobicContact CB-CB 3.97Å; C93-L96 HydrophobicContact CB-CD1 3.78Å; C93-L96 HydrophobicContact CB-CG 3.71Å; L96-K98 WeakPolarHBondContact O-CD 3.43Å; L96-K98 WeakPolarHBondContact O-CE 3.43Å; L96-K98 PolarHBondContact O-N 3.27Å; L96-E150 HydrophobicContact CD1-CB 4.44Å; L96-E150 HydrophobicContact CG-CB 4.36Å; L96-L151 HydrophobicContact CD1-CD1 4.4Å; L96-L151 HydrophobicContact CD2-CB 4.38Å; L96-I154 HydrophobicContact CD1-CD1 3.74Å; L96-L180 HydrophobicContact CD2-CB 4.05Å; L96-L180 HydrophobicContact CD2-CD2 4.13Å; L96-L180 HydrophobicContact CD2-CG 4.44Å; L96-Y183 HydrophobicContact CD2-CE1 4.49Å
97	V	97.1	Very high	94.5	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.024	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-56.6	135.7	177	171.8	0	0	0	0	111.4	M87 M113 Q114 L116 L180 F181 Y183	M87-V97 HydrophobicContact CE-CB 4Å; M87-V97 HydrophobicContact CE-CG1 3.44Å; M87-V97 VanDerWaalsContact CE-CG1 3.44Å; M87-V97 WeakPolarHBondContact CE-O 3.05Å; V97-M113 HydrophobicContact CG1-CB 4.03Å; V97-M113 HydrophobicContact CG1-CG 4.35Å; V97-M113 HydrophobicContact CG1-SD 4.26Å; V97-Q114 HydrophobicContact CG1-CB 4.06Å; V97-L116 HydrophobicContact CG2-CD1 3.6Å; V97-L116 HydrophobicContact CG2-CD2 4.45Å; V97-L116 HydrophobicContact CG2-CG 4.25Å; V97-L180 PolarHBondContact N-O 2.79Å; V97-F181 HydrophobicContact CB-CB 4.3Å; V97-F181 HydrophobicContact CG2-CB 3.56Å; V97-Y183 PolarHBondContact N-OH 2.61Å
98	K	95.7	Very high	93.9	Very high	43 Å²	43	60.1 Å²	60.1	19%	0.187	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-89.1	133.3	-177.2	-53.1	-56.1	173.7	178.3	0	112.6	G90 K91 C93 L96 Y100 M113 Q114	G90-K98 PolarHBondContact O-NZ 2.77Å; K91-K98 PolarHBondContact O-NZ 3.13Å; C93-K98 WeakPolarHBondContact O-CE 3.49Å; C93-K98 PolarHBondContact O-NZ 3.17Å; L96-K98 WeakPolarHBondContact O-CD 3.43Å; L96-K98 WeakPolarHBondContact O-CE 3.43Å; L96-K98 PolarHBondContact O-N 3.27Å; K98-Y100 HydrophobicContact CB-CE1 4.05Å; K98-M113 CarbonylContact O-C 3.54Å; K98-M113 WeakPolarHBondContact O-CA 3.24Å; K98-M113 WeakPolarHBondContact O-CB 3.31Å; K98-Q114 PolarHBondContact O-N 2.69Å
99	Q	96.2	Very high	93.7	Very high	44 Å²	44	53.7 Å²	53.7	21%	0.206	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	134.1	165.1	173.3	-178.8	-15.5	0	0	108.8	M87 L111	M87-Q99 HydrophobicContact CB-CB 3.76Å; M87-Q99 HydrophobicContact CE-CB 4.22Å; M87-Q99 HydrophobicContact CG-CB 4.48Å; M87-Q99 HydrophobicContact SD-CB 4.05Å; Q99-L111 HydrophobicContact CB-CD1 4.24Å; Q99-L111 HydrophobicContact CG-CD1 3.66Å
100	Y	95.2	Very high	93.4	Very high	69 Å²	69	51.7 Å²	51.7	27%	0.271	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-42	172	-59	-38.4	0	0	0	112	R65 V67 K98 V112 Q114	R65-Y100 VanDerWaalsContact CZ-CE2 3.47Å; R65-Y100 VanDerWaalsContact NH1-CZ 3.26Å; R65-Y100 VanDerWaalsContact NH2-CD1 3.26Å; R65-Y100 VanDerWaalsContact NH2-CD2 3.3Å; V67-Y100 HydrophobicContact CG1-CD2 3.81Å; V67-Y100 HydrophobicContact CG1-CE2 3.95Å; K98-Y100 HydrophobicContact CB-CE1 4.05Å; Y100-V112 HydrophobicContact CD2-CG1 4.39Å; Y100-V112 PolarHBondContact N-O 3.48Å; Y100-Q114 HydrophobicContact CE2-CB 4.32Å
101	E	94.3	Very high	93.3	Very high	57 Å²	57	51.6 Å²	51.6	27%	0.266	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	149	-176.8	-162.5	178.3	139.3	0	0	109.9	R40 Y41 V112	R40-E101 IonicContact CZ-OE2 3.37Å; R40-E101 IonicContact NH1-OE2 2.82Å; R40-E101 PolarHBondContact NH1-OE2 3.5Å; Y41-E101 PolarHBondContact OH-OE2 3.46Å; E101-V112 HydrophobicContact CB-CB 3.88Å; E101-V112 HydrophobicContact CB-CG2 3.98Å; E101-V112 PolarHBondContact N-O 3.07Å; E101-V112 PolarHBondContact O-N 2.83Å
102	Y	94	Very high	93.3	Very high	64 Å²	64	43.5 Å²	43.5	25%	0.251	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	130	167.7	170.5	-98	0	0	0	108.8	R74 L80 C84 E109 Y110 L111	R74-Y102 PolarHBondContact NH2-OH 2.84Å; L80-Y102 HydrophobicContact CB-CE2 4.16Å; C84-Y102 WeakPolarHBondContact SG-CD2 3.24Å; Y102-E109 HydrophobicContact CE2-CB 3.95Å; Y102-E109 HydrophobicContact CE2-CG 4.49Å; Y102-E109 PolarHBondContact OH-OE1 3.42Å; Y102-E109 PolarHBondContact OH-OE2 2.98Å; Y102-Y110 VanDerWaalsContact CA-O 3.29Å; Y102-Y110 WeakPolarHBondContact CA-O 3.32Å; Y102-L111 HydrophobicContact CD2-CB 4.42Å
103	T	91.1	Very high	93.3	Very high	47 Å²	47	39.1 Å²	39.1	29%	0.288	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	167.3	179.6	-169.6	0	0	0	0	110.9	E109 Y110	T103-E109 WeakPolarHBondContact O-CA 3.32Å; T103-Y110 HydrophobicContact CG2-CD2 4.46Å; T103-Y110 PolarHBondContact N-O 3.34Å; T103-Y110 PolarHBondContact O-N 2.82Å
104	T	89.8	Confident	93.2	Very high	47 Å²	47	39.1 Å²	39.1	29%	0.288	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129.9	173.6	-52	0	0	0	0	109.1	R74 T108	R74-T104 PolarHBondContact NH2-OG1 3.01Å; T104-T108 CarbonylContact C-O 3.59Å; T104-T108 VanDerWaalsContact CA-O 3.32Å; T104-T108 WeakPolarHBondContact CA-O 3.12Å
105	V	86.8	Confident	93.2	Very high	47 Å²	47	34.4 Å²	34.4	29%	0.285	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	121.1	177.6	-176.7	0	0	0	0	107.9	D107 T108 Y110	V105-D107 PolarHBondContact O-N 3.26Å; V105-T108 PolarHBondContact N-O 2.84Å; V105-T108 WeakPolarHBondContact O-CB 3.17Å; V105-T108 PolarHBondContact O-N 3.19Å; V105-Y110 HydrophobicContact CB-CE2 4.14Å
106	N	86.4	Confident	93.1	Very high	116 Å²	116	34.9 Å²	34.9	62%	0.62	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.4	57.1	179.2	-59.4	-24.9	0	0	0	112.9	L36 T108	L36-N106 HydrophobicContact CD1-CB 4.21Å; L36-N106 WeakPolarHBondContact CD2-ND2 3.49Å; N106-T108 PolarHBondContact O-N 2.95Å
107	D	86.6	Confident	92.9	Very high	109 Å²	109	36.1 Å²	36.1	58%	0.583	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	4.3	-177.3	-59.1	-45.6	0	0	0	116	R74 V105	R74-D107 HydrophobicContact CB-CB 4.37Å; R74-D107 VanDerWaalsContact CB-O 3.31Å; R74-D107 WeakPolarHBondContact CB-O 3.12Å; R74-D107 WeakPolarHBondContact CG-O 3.24Å; R74-D107 PolarHBondContact N-O 2.85Å; V105-D107 PolarHBondContact O-N 3.26Å
108	T	86.7	Confident	92.7	Very high	4 Å²	4	41 Å²	41	3%	0.025	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	122.9	173.2	-54.1	0	0	0	0	109.6	C72 T104 V105 N106 Y110	C72-T108 CarbonylContact O-C 3.55Å; C72-T108 WeakPolarHBondContact O-CA 3.4Å; T104-T108 CarbonylContact C-O 3.59Å; T104-T108 VanDerWaalsContact CA-O 3.32Å; T104-T108 WeakPolarHBondContact CA-O 3.12Å; V105-T108 PolarHBondContact N-O 2.84Å; V105-T108 WeakPolarHBondContact O-CB 3.17Å; V105-T108 PolarHBondContact O-N 3.19Å; N106-T108 PolarHBondContact O-N 2.95Å; T108-Y110 HydrophobicContact CG2-CD2 4.29Å; T108-Y110 HydrophobicContact CG2-CE1 4.36Å; T108-Y110 HydrophobicContact CG2-CE2 3.53Å; T108-Y110 WeakPolarHBondContact CG2-OH 3.36Å; T108-Y110 WeakPolarHBondContact O-CD2 3.37Å; T108-Y110 WeakPolarHBondContact O-CE2 3.22Å
109	E	90.9	Very high	92.7	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	141.6	172.8	-49	-164.9	152.5	0	0	110.2	T71 C72 R74 L80 Y102 T103	T71-E109 VanDerWaalsContact CA-O 3.22Å; T71-E109 WeakPolarHBondContact CA-O 2.97Å; C72-E109 PolarHBondContact N-O 2.9Å; C72-E109 VanDerWaalsContact N-O 3.17Å; C72-E109 PolarHBondContact O-N 2.91Å; R74-E109 HydrophobicContact CG-CG 3.77Å; R74-E109 IonicContact CZ-OE1 3.26Å; R74-E109 VanDerWaalsContact CZ-OE1 3.26Å; R74-E109 IonicContact NE-OE1 2.7Å; R74-E109 PolarHBondContact NE-OE1 3.44Å; R74-E109 IonicContact NH2-OE1 2.71Å; R74-E109 PolarHBondContact NH2-OE1 3.2Å; L80-E109 WeakPolarHBondContact CB-OE2 3.35Å; L80-E109 HydrophobicContact CD1-CB 4.04Å; L80-E109 HydrophobicContact CG-CB 4.47Å; L80-E109 PolarHBondContact N-OE2 3.5Å; Y102-E109 HydrophobicContact CE2-CB 3.95Å; Y102-E109 HydrophobicContact CE2-CG 4.49Å; Y102-E109 PolarHBondContact OH-OE1 3.42Å; Y102-E109 PolarHBondContact OH-OE2 2.98Å; T103-E109 WeakPolarHBondContact O-CA 3.32Å
110	Y	92.1	Very high	92.8	Very high	3 Å²	3	38.3 Å²	38.3	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	118.8	176.6	-65.1	-96.4	0	0	0	108.8	A33 L36 L37 I69 T71 Y102 T103 V105 T108	A33-Y110 PolarHBondContact O-OH 3.42Å; L36-Y110 WeakPolarHBondContact CB-OH 3.47Å; L37-Y110 HydrophobicContact CD1-CD1 4.37Å; L37-Y110 HydrophobicContact CD1-CE1 4.41Å; I69-Y110 HydrophobicContact CG2-CD1 3.97Å; T71-Y110 HydrophobicContact CG2-CD1 3.48Å; T71-Y110 VanDerWaalsContact CG2-CD1 3.48Å; T71-Y110 HydrophobicContact CG2-CE1 3.48Å; T71-Y110 VanDerWaalsContact CG2-CE1 3.48Å; T71-Y110 HydrophobicContact CG2-CG 4.39Å; Y102-Y110 VanDerWaalsContact CA-O 3.29Å; Y102-Y110 WeakPolarHBondContact CA-O 3.32Å; T103-Y110 HydrophobicContact CG2-CD2 4.46Å; T103-Y110 PolarHBondContact N-O 3.34Å; T103-Y110 PolarHBondContact O-N 2.82Å; V105-Y110 HydrophobicContact CB-CE2 4.14Å; T108-Y110 HydrophobicContact CG2-CD2 4.29Å; T108-Y110 HydrophobicContact CG2-CE1 4.36Å; T108-Y110 HydrophobicContact CG2-CE2 3.53Å; T108-Y110 WeakPolarHBondContact CG2-OH 3.36Å; T108-Y110 WeakPolarHBondContact O-CD2 3.37Å; T108-Y110 WeakPolarHBondContact O-CE2 3.22Å
111	L	94.8	Very high	92.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	109.4	171.9	174.4	60.7	0	0	0	108.9	I69 K70 L80 E83 M87 Q99 Y102	I69-L111 WeakPolarHBondContact CA-O 3.35Å; K70-L111 HydrophobicContact CB-CB 4.41Å; K70-L111 PolarHBondContact N-O 3.35Å; K70-L111 PolarHBondContact O-N 2.92Å; L80-L111 HydrophobicContact CD1-CB 3.72Å; E83-L111 HydrophobicContact CB-CD2 4.05Å; M87-L111 HydrophobicContact SD-CD1 4.23Å; M87-L111 HydrophobicContact SD-CD2 3.86Å; M87-L111 HydrophobicContact SD-CG 4.45Å; Q99-L111 HydrophobicContact CB-CD1 4.24Å; Q99-L111 HydrophobicContact CG-CD1 3.66Å; Y102-L111 HydrophobicContact CD2-CB 4.42Å
112	V	95.7	Very high	92.9	Very high	2 Å²	2	39 Å²	39	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	123.9	176	-172.6	0	0	0	0	108.2	Y41 V67 I69 Y100 E101	Y41-V112 HydrophobicContact CE1-CG1 3.83Å; Y41-V112 HydrophobicContact CE1-CG2 4.3Å; Y41-V112 HydrophobicContact CE2-CG2 4.05Å; V67-V112 HydrophobicContact CB-CG1 3.83Å; V67-V112 HydrophobicContact CG1-CG1 4.03Å; V67-V112 HydrophobicContact CG2-CG1 3.9Å; I69-V112 HydrophobicContact CD1-CG2 4.27Å; I69-V112 HydrophobicContact CG1-CG1 4.28Å; I69-V112 HydrophobicContact CG1-CG2 4.18Å; Y100-V112 HydrophobicContact CD2-CG1 4.39Å; Y100-V112 PolarHBondContact N-O 3.48Å; E101-V112 HydrophobicContact CB-CB 3.88Å; E101-V112 HydrophobicContact CB-CG2 3.98Å; E101-V112 PolarHBondContact N-O 3.07Å; E101-V112 PolarHBondContact O-N 2.83Å
113	M	96.2	Very high	93	Very high	19 Å²	19	37.5 Å²	37.5	9%	0.094	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	170.1	-172.1	60.1	-175.4	174.1	0	0	112.5	I55 A68 K70 M87 V97 K98 H115	I55-M113 HydrophobicContact CG2-CE 4.34Å; A68-M113 HydrophobicContact CB-CE 3.98Å; A68-M113 HydrophobicContact CB-CG 3.98Å; A68-M113 PolarHBondContact N-O 3.33Å; A68-M113 WeakPolarHBondContact O-CG 3.47Å; A68-M113 PolarHBondContact O-N 2.92Å; K70-M113 HydrophobicContact CB-CE 4.02Å; M87-M113 HydrophobicContact CE-CB 3.71Å; M87-M113 HydrophobicContact CE-SD 4.15Å; V97-M113 HydrophobicContact CG1-CB 4.03Å; V97-M113 HydrophobicContact CG1-CG 4.35Å; V97-M113 HydrophobicContact CG1-SD 4.26Å; K98-M113 CarbonylContact O-C 3.54Å; K98-M113 WeakPolarHBondContact O-CA 3.24Å; K98-M113 WeakPolarHBondContact O-CB 3.31Å; M113-H115 PolarHBondContact O-N 2.95Å
114	Q	95.6	Very high	93.1	Very high	15 Å²	15	35.9 Å²	35.9	7%	0.07	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	132.2	175.6	-173.7	176.3	7.3	0	0	111.1	V97 K98 Y100 L116	V97-Q114 HydrophobicContact CG1-CB 4.06Å; K98-Q114 PolarHBondContact O-N 2.69Å; Y100-Q114 HydrophobicContact CE2-CB 4.32Å; Q114-L116 HydrophobicContact CG-CD2 4.15Å
115	H	95.3	Very high	93.4	Very high	16 Å²	16	38.9 Å²	38.9	7%	0.074	21%	0.208	C	C	.	.			trans	-85	128.1	174.2	-170.1	-102.3	0	0	0	109.6	S57 Q66 M113 Q170	S57-H115 VanDerWaalsContact CB-NE2 3.33Å; S57-H115 WeakPolarHBondContact CB-NE2 3.32Å; S57-H115 PolarHBondContact OG-CD2 3.46Å; S57-H115 PolarHBondContact OG-NE2 3.32Å; Q66-H115 HydrophobicContact CB-CB 4.15Å; M113-H115 PolarHBondContact O-N 2.95Å; H115-Q170 PolarHBondContact CE1-NE2 3.47Å; H115-Q170 VanDerWaalsContact CE1-NE2 3.25Å; H115-Q170 VanDerWaalsContact ND1-CD 3.27Å; H115-Q170 PolarHBondContact ND1-NE2 3.49Å; H115-Q170 VanDerWaalsContact ND1-NE2 3.19Å; H115-Q170 PolarHBondContact ND1-OE1 2.9Å
116	L	95.6	Very high	93.7	Very high	22 Å²	22	40.9 Å²	40.9	12%	0.115	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	167.7	-179.7	-58.6	-178.5	0	0	0	111.3	V97 Q114 A167 Q170 Y179 F181	V97-L116 HydrophobicContact CG2-CD1 3.6Å; V97-L116 HydrophobicContact CG2-CD2 4.45Å; V97-L116 HydrophobicContact CG2-CG 4.25Å; Q114-L116 HydrophobicContact CG-CD2 4.15Å; L116-A167 HydrophobicContact CB-CB 3.84Å; L116-A167 HydrophobicContact CD1-CB 3.87Å; L116-Q170 PolarHBondContact O-NE2 2.91Å; L116-Y179 HydrophobicContact CD2-CD2 3.75Å; L116-Y179 HydrophobicContact CD2-CE2 4.46Å; L116-Y179 HydrophobicContact CD2-CG 3.9Å; L116-F181 HydrophobicContact CD1-CB 4.42Å; L116-F181 HydrophobicContact CD1-CD1 3.81Å; L116-F181 HydrophobicContact CD1-CE1 4.42Å; L116-F181 HydrophobicContact CD1-CG 4.35Å
117	G	94	Very high	94.1	Very high	29 Å²	29	36.4 Å²	36.4	30%	0.299	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	-165.9	168.9	0	0	0	0	0	113.1	F168	G117-F168 PolarHBondContact N-O 2.83Å
118	E	93.7	Very high	94.3	Very high	107 Å²	107	34.8 Å²	34.8	50%	0.5	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	141.8	170.3	-63.2	-161.6	126.4	0	0	110.7	K122 Q123	E118-K122 HydrophobicContact CB-CB 4.19Å; E118-Q123 HydrophobicContact CB-CG 3.97Å; E118-Q123 PolarHBondContact O-NE2 2.91Å
119	N	96.1	Very high	94.6	Very high	30 Å²	30	42 Å²	42	16%	0.16	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	160	175.2	64.3	51.9	0	0	0	111.9	S121 K122 Q123 F166 A167 F181	N119-S121 PolarHBondContact O-N 2.95Å; N119-S121 VanDerWaalsContact O-N 3.12Å; N119-S121 WeakPolarHBondContact OD1-CB 3.29Å; N119-S121 PolarHBondContact OD1-N 3.14Å; N119-K122 PolarHBondContact O-N 2.87Å; N119-K122 PolarHBondContact OD1-N 3.41Å; N119-Q123 PolarHBondContact O-N 3.08Å; N119-F166 CarbonylContact C-O 3.59Å; N119-F166 WeakPolarHBondContact CA-O 3.11Å; N119-F166 VanDerWaalsContact CB-O 3.24Å; N119-F166 WeakPolarHBondContact CB-O 3.36Å; N119-A167 HydrophobicContact CB-CB 4.2Å; N119-F181 HydrophobicContact CB-CE1 4.18Å; N119-F181 HydrophobicContact CB-CZ 4.02Å
120	L	97.5	Very high	94.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58.7	-30.9	-175.8	-63.7	-179.1	0	0	0	112.5	L124 I140 P163 F166 F168 L178 L239	L120-L124 VanDerWaalsContact O-CB 3.24Å; L120-L124 WeakPolarHBondContact O-CB 3.46Å; L120-L124 PolarHBondContact O-N 2.88Å; L120-I140 HydrophobicContact CD1-CG2 3.74Å; L120-I140 HydrophobicContact CD2-CD1 4.12Å; L120-P163 HydrophobicContact CB-CB 3.92Å; L120-P163 WeakPolarHBondContact CB-O 3.34Å; L120-P163 PolarHBondContact N-O 2.61Å; L120-F166 HydrophobicContact CD1-CB 3.75Å; L120-F166 HydrophobicContact CG-CB 4.06Å; L120-F166 PolarHBondContact N-O 2.78Å; L120-F168 HydrophobicContact CD2-CD2 4.23Å; L120-F168 HydrophobicContact CD2-CE2 3.73Å; L120-L178 HydrophobicContact CD1-CD1 4.03Å; L120-L178 HydrophobicContact CD1-CD2 4.19Å; L120-L178 HydrophobicContact CD2-CD1 3.9Å; L120-L178 HydrophobicContact CG-CD1 4.03Å; L120-L239 HydrophobicContact CB-CD2 4.32Å; L120-L239 HydrophobicContact CD1-CD1 3.98Å
121	S	96.2	Very high	95	Very high	42 Å²	42	54.4 Å²	54.4	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-64.3	-40.1	176	-176.2	0	0	0	0	112.5	N119 P163	N119-S121 PolarHBondContact O-N 2.95Å; N119-S121 VanDerWaalsContact O-N 3.12Å; N119-S121 WeakPolarHBondContact OD1-CB 3.29Å; N119-S121 PolarHBondContact OD1-N 3.14Å; S121-P163 PolarHBondContact N-O 2.69Å
122	K	95.4	Very high	95.1	Very high	99 Å²	99	54.7 Å²	54.7	43%	0.43	28%	0.278	S	S	.	.	H	α-helix	trans	-71.3	-46	175.7	-75	-174.8	177.2	-176.6	0	111.4	E118 N119 L124 L125	E118-K122 HydrophobicContact CB-CB 4.19Å; N119-K122 PolarHBondContact O-N 2.87Å; N119-K122 PolarHBondContact OD1-N 3.41Å; K122-L124 VanDerWaalsContact C-N 3.26Å; K122-L124 PolarHBondContact O-N 3.31Å; K122-L125 WeakPolarHBondContact O-CB 3.41Å; K122-L125 PolarHBondContact O-N 3.4Å
123	Q	95.6	Very high	95	Very high	33 Å²	33	56.9 Å²	56.9	15%	0.154	29%	0.294	C	S	.	.	H	α-helix	trans	-60.2	-37.6	178.1	-64.8	-174.7	4.5	0	0	111.7	E118 N119 L125 S126 Q127 Y132	E118-Q123 HydrophobicContact CB-CG 3.97Å; E118-Q123 PolarHBondContact O-NE2 2.91Å; N119-Q123 PolarHBondContact O-N 3.08Å; Q123-L125 PolarHBondContact O-N 3.13Å; Q123-S126 PolarHBondContact O-N 2.94Å; Q123-S126 PolarHBondContact O-OG 3.19Å; Q123-Q127 WeakPolarHBondContact O-CG 3.48Å; Q123-Q127 PolarHBondContact O-N 2.9Å; Q123-Y132 WeakPolarHBondContact CB-OH 3.39Å; Q123-Y132 PolarHBondContact OE1-OH 3.04Å
124	L	95.1	Very high	95	Very high	12 Å²	12	58.5 Å²	58.5	6%	0.063	30%	0.301	C	S	.	.	H	α-helix	trans	-58.8	-30.5	176	-164.8	69.3	0	0	0	112.4	L120 K122 S126 Q127 R130 Y132 E238 L239	L120-L124 VanDerWaalsContact O-CB 3.24Å; L120-L124 WeakPolarHBondContact O-CB 3.46Å; L120-L124 PolarHBondContact O-N 2.88Å; K122-L124 VanDerWaalsContact C-N 3.26Å; K122-L124 PolarHBondContact O-N 3.31Å; L124-S126 VanDerWaalsContact C-N 3.31Å; L124-S126 PolarHBondContact O-N 3.25Å; L124-Q127 PolarHBondContact O-N 2.89Å; L124-R130 WeakPolarHBondContact CD1-O 3.31Å; L124-R130 HydrophobicContact CG-CB 4.48Å; L124-R130 WeakPolarHBondContact CG-O 3.37Å; L124-R130 WeakPolarHBondContact O-CA 3.06Å; L124-Y132 HydrophobicContact CD1-CD2 3.95Å; L124-Y132 HydrophobicContact CD1-CE2 3.91Å; L124-E238 HydrophobicContact CD2-CG 4.21Å; L124-L239 HydrophobicContact CD1-CD2 4.26Å; L124-L239 HydrophobicContact CD2-CD2 4.44Å
125	L	94.7	Very high	95	Very high	110 Å²	110	59.1 Å²	59.1	58%	0.576	30%	0.304	S	S	*	.	H	α-helix	trans	-69.6	-27	178.4	-62.6	173.7	0	0	0	113.2	K122 Q123	K122-L125 WeakPolarHBondContact O-CB 3.41Å; K122-L125 PolarHBondContact O-N 3.4Å; Q123-L125 PolarHBondContact O-N 3.13Å
126	S	93.1	Very high	95	Very high	89 Å²	89	60.2 Å²	60.2	62%	0.622	31%	0.309	S	S	*	.	H	α-helix	trans	-88	-12.4	177.3	56	0	0	0	0	113.3	Q123 L124	Q123-S126 PolarHBondContact O-N 2.94Å; Q123-S126 PolarHBondContact O-OG 3.19Å; L124-S126 VanDerWaalsContact C-N 3.31Å; L124-S126 PolarHBondContact O-N 3.25Å
127	Q	94.4	Very high	95	Very high	22 Å²	22	59.1 Å²	59.1	10%	0.103	30%	0.303	C	S	.	.	S	Bend	trans	-75.2	145.1	178.1	-64.7	-58.7	-41.5	0	0	112.3	Q123 L124 M129 R130 R131 Y132 E321 Q324	Q123-Q127 WeakPolarHBondContact O-CG 3.48Å; Q123-Q127 PolarHBondContact O-N 2.9Å; L124-Q127 PolarHBondContact O-N 2.89Å; Q127-M129 PolarHBondContact O-N 3.24Å; Q127-R130 WeakPolarHBondContact O-CA 3.48Å; Q127-R130 PolarHBondContact O-N 3.34Å; Q127-R131 WeakPolarHBondContact CB-O 3.23Å; Q127-Y132 HydrophobicContact CG-CD1 3.82Å; Q127-Y132 HydrophobicContact CG-CE1 3.47Å; Q127-Y132 VanDerWaalsContact CG-CE1 3.47Å; Q127-E321 PolarHBondContact NE2-OE1 2.91Å; Q127-Q324 VanDerWaalsContact OE1-NE2 3.15Å
128	P	92.1	Very high	95.2	Very high	76 Å²	76	57.8 Å²	57.8	49%	0.494	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-55	134.7	169.5	-30.9	41.9	0	0	0	111.9	R130 R131	P128-R130 PolarHBondContact O-N 3.25Å; P128-R131 PolarHBondContact O-N 3.42Å
129	M	92.5	Very high	95.3	Very high	155 Å²	155	54 Å²	54	76%	0.764	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	55.8	15.5	-174.3	-59.3	-61.7	-65.5	0	0	114.6	Q127 R131	Q127-M129 PolarHBondContact O-N 3.24Å; M129-R131 VanDerWaalsContact C-N 3.28Å; M129-R131 HydrophobicContact CB-CG 4.05Å; M129-R131 PolarHBondContact O-N 2.99Å
130	R	94.8	Very high	95.4	Very high	151 Å²	151	52.6 Å²	52.6	57%	0.57	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	53.1	41.4	-175.7	-57.5	-179.3	-179.5	177.5	1.2	113.6	L124 Q127 P128 G242	L124-R130 WeakPolarHBondContact CD1-O 3.31Å; L124-R130 HydrophobicContact CG-CB 4.48Å; L124-R130 WeakPolarHBondContact CG-O 3.37Å; L124-R130 WeakPolarHBondContact O-CA 3.06Å; Q127-R130 WeakPolarHBondContact O-CA 3.48Å; Q127-R130 PolarHBondContact O-N 3.34Å; P128-R130 PolarHBondContact O-N 3.25Å; R130-G242 WeakPolarHBondContact O-CA 3.32Å
131	R	96	Very high	95.4	Very high	113 Å²	113	52.6 Å²	52.6	43%	0.426	26%	0.264	S	S	.	.			trans	-144.7	155	-179.2	67.1	-176.1	-176.5	137.1	4.2	111.2	Q127 P128 M129 L239 F240	Q127-R131 WeakPolarHBondContact CB-O 3.23Å; P128-R131 PolarHBondContact O-N 3.42Å; M129-R131 VanDerWaalsContact C-N 3.28Å; M129-R131 HydrophobicContact CB-CG 4.05Å; M129-R131 PolarHBondContact O-N 2.99Å; R131-L239 WeakPolarHBondContact CA-O 3.39Å; R131-F240 WeakPolarHBondContact CB-O 3.28Å
132	Y	96.6	Very high	95.5	Very high	7 Å²	7	52.1 Å²	52.1	3%	0.027	26%	0.258	C	S	.	.			trans	-88.1	158	170	-69.6	-62.7	0	0	0	111.4	Q123 L124 Q127 K136 T137 I140 L239	Q123-Y132 WeakPolarHBondContact CB-OH 3.39Å; Q123-Y132 PolarHBondContact OE1-OH 3.04Å; L124-Y132 HydrophobicContact CD1-CD2 3.95Å; L124-Y132 HydrophobicContact CD1-CE2 3.91Å; Q127-Y132 HydrophobicContact CG-CD1 3.82Å; Q127-Y132 HydrophobicContact CG-CE1 3.47Å; Q127-Y132 VanDerWaalsContact CG-CE1 3.47Å; Y132-K136 HydrophobicContact CD1-CB 4.3Å; Y132-K136 HydrophobicContact CD1-CG 3.59Å; Y132-K136 HydrophobicContact CE1-CG 4.21Å; Y132-K136 HydrophobicContact CG-CB 4.48Å; Y132-K136 HydrophobicContact CG-CG 4.01Å; Y132-T137 WeakPolarHBondContact CB-OG1 3.38Å; Y132-I140 HydrophobicContact CD2-CD1 3.83Å; Y132-I140 HydrophobicContact CE2-CD1 3.79Å; Y132-I140 HydrophobicContact CG-CD1 4.25Å; Y132-L239 HydrophobicContact CD2-CB 4.11Å; Y132-L239 HydrophobicContact CD2-CD2 4.11Å; Y132-L239 HydrophobicContact CE2-CD2 3.92Å; Y132-L239 PolarHBondContact N-O 3.12Å
133	S	95	Very high	95.6	Very high	48 Å²	48	48.9 Å²	48.9	34%	0.336	25%	0.245	S	C	.	.			trans	-64.7	167.3	168.1	68.6	0	0	0	0	110.9	M135 K136 T137	S133-M135 VanDerWaalsContact C-N 3.29Å; S133-M135 PolarHBondContact O-N 3.09Å; S133-K136 PolarHBondContact O-N 2.53Å; S133-K136 WeakPolarHBondContact OG-CB 3.28Å; S133-K136 PolarHBondContact OG-N 3.22Å; S133-K136 VanDerWaalsContact OG-N 3.13Å; S133-T137 WeakPolarHBondContact O-CB 3.39Å; S133-T137 PolarHBondContact O-N 3.36Å; S133-T137 PolarHBondContact O-OG1 3.03Å
134	Q	95.8	Very high	95.8	Very high	52 Å²	52	47.3 Å²	47.3	24%	0.243	24%	0.238	C	C	.	.	H	α-helix	trans	-59.2	-44.4	172.5	-68.4	165.5	-44.3	0	0	110.8	T137 T138 F240 K271 F272 Y303 L307	Q134-T137 PolarHBondContact O-N 2.86Å; Q134-T138 WeakPolarHBondContact O-CB 3.25Å; Q134-T138 PolarHBondContact O-N 3.15Å; Q134-T138 PolarHBondContact O-OG1 2.97Å; Q134-F240 HydrophobicContact CG-CD2 4.38Å; Q134-F240 HydrophobicContact CG-CE2 3.62Å; Q134-F240 HydrophobicContact CG-CZ 4.45Å; Q134-K271 PolarHBondContact NE2-O 3.48Å; Q134-F272 HydrophobicContact CG-CD2 4.38Å; Q134-Y303 HydrophobicContact CB-CE1 4.18Å; Q134-Y303 PolarHBondContact NE2-OH 3.31Å; Q134-L307 HydrophobicContact CB-CD1 3.93Å
135	M	94.8	Very high	96	Very high	28 Å²	28	46.8 Å²	46.8	14%	0.138	24%	0.235	C	C	.	.	H	α-helix	trans	-56.5	-55	178.5	-170	66.4	89.3	0	0	111	S133 T137 T138 E139 H304 L307 M308 L313	S133-M135 VanDerWaalsContact C-N 3.29Å; S133-M135 PolarHBondContact O-N 3.09Å; M135-T137 VanDerWaalsContact C-N 3.32Å; M135-T137 PolarHBondContact O-N 3.44Å; M135-T138 WeakPolarHBondContact O-CB 3.35Å; M135-T138 PolarHBondContact O-N 2.95Å; M135-T138 VanDerWaalsContact O-N 3.15Å; M135-E139 WeakPolarHBondContact O-CG 3.24Å; M135-E139 PolarHBondContact O-N 3Å; M135-E139 VanDerWaalsContact O-N 3.09Å; M135-H304 PolarHBondContact SD-CE1 3.26Å; M135-H304 PolarHBondContact SD-ND1 3.02Å; M135-L307 HydrophobicContact CB-CD1 4.19Å; M135-L307 HydrophobicContact CE-CB 3.52Å; M135-L307 HydrophobicContact CE-CD1 4.34Å; M135-L307 HydrophobicContact SD-CB 4.02Å; M135-L307 HydrophobicContact SD-CD1 3.94Å; M135-M308 HydrophobicContact CE-CG 3.95Å; M135-M308 HydrophobicContact CE-SD 3.4Å; M135-M308 WeakPolarHBondContact CE-SD 3.41Å; M135-M308 HydrophobicContact SD-SD 4.19Å; M135-L313 HydrophobicContact CE-CD1 3.65Å
136	K	95	Very high	96.1	Very high	39 Å²	39	42 Å²	42	17%	0.17	21%	0.211	C	C	.	.	H	α-helix	trans	-65.5	-36.2	-177.3	-173	54.3	170.7	-176.4	0	112.6	Y132 S133 T138 E139 I140	Y132-K136 HydrophobicContact CD1-CB 4.3Å; Y132-K136 HydrophobicContact CD1-CG 3.59Å; Y132-K136 HydrophobicContact CE1-CG 4.21Å; Y132-K136 HydrophobicContact CG-CB 4.48Å; Y132-K136 HydrophobicContact CG-CG 4.01Å; S133-K136 PolarHBondContact O-N 2.53Å; S133-K136 WeakPolarHBondContact OG-CB 3.28Å; S133-K136 PolarHBondContact OG-N 3.22Å; S133-K136 VanDerWaalsContact OG-N 3.13Å; K136-T138 VanDerWaalsContact C-N 3.34Å; K136-E139 WeakPolarHBondContact CD-OE2 3.15Å; K136-E139 IonicContact NZ-OE2 3.5Å; K136-E139 PolarHBondContact NZ-OE2 2.61Å; K136-E139 VanDerWaalsContact NZ-OE2 3.15Å; K136-E139 PolarHBondContact O-N 3.41Å; K136-I140 HydrophobicContact CD-CD1 4.39Å; K136-I140 HydrophobicContact CG-CD1 4.07Å; K136-I140 WeakPolarHBondContact O-CG1 3.36Å; K136-I140 PolarHBondContact O-N 2.81Å
137	T	97.5	Very high	96.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.6	-39.8	176.3	-51.6	0	0	0	0	111.4	Y132 S133 Q134 M135 I140 A141 L239 F240 F272	Y132-T137 WeakPolarHBondContact CB-OG1 3.38Å; S133-T137 WeakPolarHBondContact O-CB 3.39Å; S133-T137 PolarHBondContact O-N 3.36Å; S133-T137 PolarHBondContact O-OG1 3.03Å; Q134-T137 PolarHBondContact O-N 2.86Å; M135-T137 VanDerWaalsContact C-N 3.32Å; M135-T137 PolarHBondContact O-N 3.44Å; T137-I140 PolarHBondContact O-N 3.22Å; T137-A141 VanDerWaalsContact O-CB 3.3Å; T137-A141 WeakPolarHBondContact O-CB 3.43Å; T137-A141 PolarHBondContact O-N 2.78Å; T137-L239 HydrophobicContact CG2-CB 4.35Å; T137-F240 HydrophobicContact CG2-CB 4.15Å; T137-F272 HydrophobicContact CG2-CE1 3.63Å; T137-F272 HydrophobicContact CG2-CZ 4.26Å
138	T	97.3	Very high	96.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62	-45.9	176.6	-64.1	0	0	0	0	111.8	Q134 M135 K136 A141 I142 F272 F300 H304	Q134-T138 WeakPolarHBondContact O-CB 3.25Å; Q134-T138 PolarHBondContact O-N 3.15Å; Q134-T138 PolarHBondContact O-OG1 2.97Å; M135-T138 WeakPolarHBondContact O-CB 3.35Å; M135-T138 PolarHBondContact O-N 2.95Å; M135-T138 VanDerWaalsContact O-N 3.15Å; K136-T138 VanDerWaalsContact C-N 3.34Å; T138-A141 WeakPolarHBondContact O-CB 3.41Å; T138-A141 PolarHBondContact O-N 2.93Å; T138-I142 HydrophobicContact CG2-CD1 4.22Å; T138-I142 WeakPolarHBondContact O-CD1 3.43Å; T138-I142 WeakPolarHBondContact O-CG1 3.32Å; T138-I142 PolarHBondContact O-N 3.32Å; T138-I142 VanDerWaalsContact O-N 3.14Å; T138-F272 WeakPolarHBondContact OG1-CE2 3.46Å; T138-F272 WeakPolarHBondContact OG1-CZ 3.22Å; T138-F300 HydrophobicContact CG2-CB 3.94Å; T138-F300 HydrophobicContact CG2-CD1 4.46Å; T138-F300 WeakPolarHBondContact CG2-O 3.49Å; T138-H304 HydrophobicContact CG2-CB 3.59Å
139	E	95.7	Very high	96.9	Very high	29 Å²	29	35.7 Å²	35.7	14%	0.136	16%	0.162	C	C	.	.	H	α-helix	trans	-58.9	-49.1	175.5	-64.9	165.9	177.5	0	0	111.7	M135 K136 A141 I142 D143 H304 F319	M135-E139 WeakPolarHBondContact O-CG 3.24Å; M135-E139 PolarHBondContact O-N 3Å; M135-E139 VanDerWaalsContact O-N 3.09Å; K136-E139 WeakPolarHBondContact CD-OE2 3.15Å; K136-E139 IonicContact NZ-OE2 3.5Å; K136-E139 PolarHBondContact NZ-OE2 2.61Å; K136-E139 VanDerWaalsContact NZ-OE2 3.15Å; K136-E139 PolarHBondContact O-N 3.41Å; E139-A141 VanDerWaalsContact C-N 3.28Å; E139-A141 PolarHBondContact O-N 3.48Å; E139-I142 PolarHBondContact O-N 2.86Å; E139-D143 PolarHBondContact O-N 2.82Å; E139-H304 IonicContact OE1-CE1 2.61Å; E139-F319 HydrophobicContact CB-CE1 3.93Å; E139-F319 HydrophobicContact CB-CZ 4.13Å; E139-F319 HydrophobicContact CG-CD1 4.08Å; E139-F319 HydrophobicContact CG-CE1 3.41Å; E139-F319 VanDerWaalsContact CG-CE1 3.41Å; E139-F319 HydrophobicContact CG-CZ 4.05Å; E139-F319 VanDerWaalsContact OE1-CD1 3.27Å; E139-F319 WeakPolarHBondContact OE1-CD1 3.32Å; E139-F319 VanDerWaalsContact OE1-CE1 3.24Å; E139-F319 WeakPolarHBondContact OE1-CE1 3.4Å; E139-F319 WeakPolarHBondContact OE2-CD1 3.23Å; E139-F319 VanDerWaalsContact OE2-CE1 3.26Å; E139-F319 WeakPolarHBondContact OE2-CE1 3.31Å
140	I	97.9	Very high	97.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.3	-40.3	176.9	-70.7	167	0	0	0	110.7	L120 Y132 K136 T137 I142 L144 F168 L178 L239	L120-I140 HydrophobicContact CD1-CG2 3.74Å; L120-I140 HydrophobicContact CD2-CD1 4.12Å; Y132-I140 HydrophobicContact CD2-CD1 3.83Å; Y132-I140 HydrophobicContact CE2-CD1 3.79Å; Y132-I140 HydrophobicContact CG-CD1 4.25Å; K136-I140 HydrophobicContact CD-CD1 4.39Å; K136-I140 HydrophobicContact CG-CD1 4.07Å; K136-I140 WeakPolarHBondContact O-CG1 3.36Å; K136-I140 PolarHBondContact O-N 2.81Å; T137-I140 PolarHBondContact O-N 3.22Å; I140-I142 VanDerWaalsContact C-N 3.35Å; I140-I142 PolarHBondContact O-N 3.5Å; I140-L144 HydrophobicContact CG2-CD1 4.5Å; I140-L144 WeakPolarHBondContact O-CB 3.49Å; I140-L144 PolarHBondContact O-N 3.47Å; I140-F168 HydrophobicContact CG1-CE2 4.45Å; I140-F168 HydrophobicContact CG1-CZ 3.91Å; I140-L178 HydrophobicContact CG2-CD2 4.07Å; I140-L239 HydrophobicContact CG2-CD1 3.7Å
141	A	98.5	Very high	97.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.6	-40.2	-178.5	0	0	0	0	0	112.6	T137 T138 E139 L144 V145 L236 F300	T137-A141 VanDerWaalsContact O-CB 3.3Å; T137-A141 WeakPolarHBondContact O-CB 3.43Å; T137-A141 PolarHBondContact O-N 2.78Å; T138-A141 WeakPolarHBondContact O-CB 3.41Å; T138-A141 PolarHBondContact O-N 2.93Å; E139-A141 VanDerWaalsContact C-N 3.28Å; E139-A141 PolarHBondContact O-N 3.48Å; A141-L144 PolarHBondContact O-N 3.3Å; A141-V145 WeakPolarHBondContact O-CB 3.38Å; A141-V145 VanDerWaalsContact O-CG2 3.23Å; A141-V145 WeakPolarHBondContact O-CG2 3.38Å; A141-V145 PolarHBondContact O-N 3.39Å; A141-L236 HydrophobicContact CB-CD1 3.75Å; A141-L236 HydrophobicContact CB-CD2 3.71Å; A141-L236 HydrophobicContact CB-CG 4.39Å; A141-F300 HydrophobicContact CB-CB 4.47Å; A141-F300 HydrophobicContact CB-CD1 3.43Å; A141-F300 VanDerWaalsContact CB-CD1 3.43Å; A141-F300 HydrophobicContact CB-CD2 3.97Å; A141-F300 HydrophobicContact CB-CE1 3.49Å; A141-F300 VanDerWaalsContact CB-CE1 3.49Å; A141-F300 HydrophobicContact CB-CE2 4.05Å; A141-F300 HydrophobicContact CB-CG 3.68Å; A141-F300 HydrophobicContact CB-CZ 3.83Å
142	I	98.2	Very high	97.3	Very high	32 Å²	32	17 Å²	17	16%	0.164	9%	0.085	C	C	.	.	H	α-helix	trans	-61.8	-51.4	179.5	-67.1	155.6	0	0	0	110.6	T138 E139 I140 S146 I297 F300 N301	T138-I142 HydrophobicContact CG2-CD1 4.22Å; T138-I142 WeakPolarHBondContact O-CD1 3.43Å; T138-I142 WeakPolarHBondContact O-CG1 3.32Å; T138-I142 PolarHBondContact O-N 3.32Å; T138-I142 VanDerWaalsContact O-N 3.14Å; E139-I142 PolarHBondContact O-N 2.86Å; I140-I142 VanDerWaalsContact C-N 3.35Å; I140-I142 PolarHBondContact O-N 3.5Å; I142-S146 WeakPolarHBondContact O-CB 3.35Å; I142-S146 PolarHBondContact O-N 2.86Å; I142-S146 PolarHBondContact O-OG 3.31Å; I142-I297 HydrophobicContact CG2-CG2 4.31Å; I142-F300 HydrophobicContact CD1-CB 4.36Å; I142-F300 HydrophobicContact CG1-CB 3.8Å; I142-N301 WeakPolarHBondContact CD1-OD1 3.39Å
143	D	97.8	Very high	97.3	Very high	31 Å²	31	23 Å²	23	17%	0.166	11%	0.113	C	C	.	.	H	α-helix	trans	-67	-39.8	178.5	-80.1	4.8	0	0	0	111.9	H95 E139 S146 A147 L178	H95-D143 VanDerWaalsContact CE1-CG 3.48Å; H95-D143 IonicContact CE1-OD1 2.8Å; H95-D143 PolarHBondContact CE1-OD1 3.39Å; H95-D143 IonicContact CE1-OD2 2.72Å; E139-D143 PolarHBondContact O-N 2.82Å; D143-S146 WeakPolarHBondContact O-CB 3.5Å; D143-S146 PolarHBondContact O-N 3.44Å; D143-A147 WeakPolarHBondContact O-CB 3.13Å; D143-A147 PolarHBondContact O-N 3.49Å; D143-L178 HydrophobicContact CB-CB 3.6Å; D143-L178 HydrophobicContact CB-CD2 4.33Å; D143-L178 PolarHBondContact OD2-N 2.85Å
144	L	98.6	Very high	97.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.4	-45.7	-179.3	-175.8	159.8	0	0	0	111.2	I140 A141 S146 A147 V148 F166 L178 V232 T235 L236	I140-L144 HydrophobicContact CG2-CD1 4.5Å; I140-L144 WeakPolarHBondContact O-CB 3.49Å; I140-L144 PolarHBondContact O-N 3.47Å; A141-L144 PolarHBondContact O-N 3.3Å; L144-S146 VanDerWaalsContact C-N 3.33Å; L144-A147 PolarHBondContact O-N 2.84Å; L144-V148 HydrophobicContact CD2-CG2 4.45Å; L144-V148 WeakPolarHBondContact O-CG2 3.15Å; L144-V148 PolarHBondContact O-N 2.68Å; L144-V148 VanDerWaalsContact O-N 3.12Å; L144-F166 HydrophobicContact CB-CE1 4.3Å; L144-F166 HydrophobicContact CD1-CD2 4.27Å; L144-F166 HydrophobicContact CD1-CE1 4.45Å; L144-F166 HydrophobicContact CD1-CE2 4.15Å; L144-F166 HydrophobicContact CD1-CG 4.48Å; L144-F166 HydrophobicContact CD1-CZ 4.23Å; L144-F166 HydrophobicContact CD2-CZ 4.2Å; L144-F166 HydrophobicContact CG-CD1 4.22Å; L144-F166 HydrophobicContact CG-CE1 3.73Å; L144-F166 HydrophobicContact CG-CE2 4.08Å; L144-F166 HydrophobicContact CG-CZ 3.64Å; L144-L178 HydrophobicContact CB-CD2 3.93Å; L144-V232 HydrophobicContact CD2-CB 4Å; L144-V232 HydrophobicContact CD2-CG1 3.47Å; L144-V232 VanDerWaalsContact CD2-CG1 3.47Å; L144-V232 HydrophobicContact CD2-CG2 3.53Å; L144-T235 HydrophobicContact CD1-CG2 3.81Å; L144-L236 HydrophobicContact CD1-CD2 4.18Å
145	V	98.7	Very high	97.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.9	-38.5	175.5	174.7	0	0	0	0	110.5	A141 A147 V148 R149 V232 Y293 I296 I297	A141-V145 WeakPolarHBondContact O-CB 3.38Å; A141-V145 VanDerWaalsContact O-CG2 3.23Å; A141-V145 WeakPolarHBondContact O-CG2 3.38Å; A141-V145 PolarHBondContact O-N 3.39Å; V145-A147 PolarHBondContact O-N 3.12Å; V145-V148 PolarHBondContact O-N 3.13Å; V145-R149 WeakPolarHBondContact O-CB 3.38Å; V145-R149 PolarHBondContact O-N 3.46Å; V145-V232 HydrophobicContact CG2-CG1 4.14Å; V145-Y293 HydrophobicContact CG1-CD1 4.22Å; V145-I296 HydrophobicContact CG1-CB 4.27Å; V145-I296 HydrophobicContact CG1-CG2 3.96Å; V145-I296 HydrophobicContact CG2-CG2 3.88Å; V145-I297 HydrophobicContact CB-CG1 4.15Å; V145-I297 HydrophobicContact CG1-CD1 4.23Å; V145-I297 HydrophobicContact CG1-CG1 3.76Å
146	S	98.4	Very high	97.3	Very high	10 Å²	10	20.7 Å²	20.7	7%	0.07	10%	0.103	C	C	.	.	H	α-helix	trans	-61.3	-43.1	175.2	-63	0	0	0	0	112.1	I142 D143 L144 V148 R149 E150	I142-S146 WeakPolarHBondContact O-CB 3.35Å; I142-S146 PolarHBondContact O-N 2.86Å; I142-S146 PolarHBondContact O-OG 3.31Å; D143-S146 WeakPolarHBondContact O-CB 3.5Å; D143-S146 PolarHBondContact O-N 3.44Å; L144-S146 VanDerWaalsContact C-N 3.33Å; S146-V148 PolarHBondContact O-N 3.11Å; S146-R149 WeakPolarHBondContact O-CB 3.4Å; S146-R149 PolarHBondContact O-N 2.95Å; S146-E150 WeakPolarHBondContact O-CG 3.43Å; S146-E150 PolarHBondContact O-N 3.18Å
147	A	98.6	Very high	97.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63	-40.8	175.7	0	0	0	0	0	113	H95 D143 L144 V145 E150 L151 F166 L180	H95-A147 HydrophobicContact CB-CB 3.5Å; H95-A147 VanDerWaalsContact CB-CB 3.5Å; D143-A147 WeakPolarHBondContact O-CB 3.13Å; D143-A147 PolarHBondContact O-N 3.49Å; L144-A147 PolarHBondContact O-N 2.84Å; V145-A147 PolarHBondContact O-N 3.12Å; A147-E150 PolarHBondContact O-N 3.1Å; A147-L151 PolarHBondContact O-N 2.93Å; A147-F166 HydrophobicContact CB-CE1 4.03Å; A147-L180 HydrophobicContact CB-CB 3.91Å; A147-L180 HydrophobicContact CB-CD2 4.48Å
148	V	98.6	Very high	97.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-67.7	-41.3	176.8	172.7	0	0	0	0	110.7	L144 V145 S146 L151 H152 I161 F166 D228 L229 V232	L144-V148 HydrophobicContact CD2-CG2 4.45Å; L144-V148 WeakPolarHBondContact O-CG2 3.15Å; L144-V148 PolarHBondContact O-N 2.68Å; L144-V148 VanDerWaalsContact O-N 3.12Å; V145-V148 PolarHBondContact O-N 3.13Å; S146-V148 PolarHBondContact O-N 3.11Å; V148-L151 PolarHBondContact O-N 2.85Å; V148-H152 WeakPolarHBondContact CG1-CE1 3.2Å; V148-H152 WeakPolarHBondContact O-CB 3.22Å; V148-H152 PolarHBondContact O-CD2 3.41Å; V148-H152 PolarHBondContact O-N 2.97Å; V148-I161 HydrophobicContact CG2-CD1 3.82Å; V148-I161 HydrophobicContact CG2-CG1 4.37Å; V148-F166 HydrophobicContact CG2-CZ 4.35Å; V148-D228 HydrophobicContact CG1-CB 4.39Å; V148-L229 HydrophobicContact CG1-CD2 4.46Å; V148-V232 HydrophobicContact CG2-CG2 3.92Å
149	R	98.1	Very high	97	Very high	54 Å²	54	20.3 Å²	20.3	20%	0.204	10%	0.103	C	C	.	.	H	α-helix	trans	-55.3	-54.5	171.9	170.6	176.7	58.5	-168.8	-1.9	110.8	V145 S146 L151 H152 E153 Y293 D294	V145-R149 WeakPolarHBondContact O-CB 3.38Å; V145-R149 PolarHBondContact O-N 3.46Å; S146-R149 WeakPolarHBondContact O-CB 3.4Å; S146-R149 PolarHBondContact O-N 2.95Å; R149-L151 VanDerWaalsContact C-N 3.3Å; R149-L151 PolarHBondContact O-N 3.39Å; R149-H152 WeakPolarHBondContact O-CB 3.45Å; R149-H152 PolarHBondContact O-N 2.8Å; R149-E153 WeakPolarHBondContact CD-OE1 3.45Å; R149-E153 HydrophobicContact CG-CG 4.19Å; R149-E153 WeakPolarHBondContact CG-OE1 3.05Å; R149-E153 WeakPolarHBondContact O-CG 3.09Å; R149-E153 PolarHBondContact O-N 3.33Å; R149-Y293 HydrophobicContact CB-CD1 3.83Å; R149-Y293 HydrophobicContact CB-CD2 3.85Å; R149-Y293 HydrophobicContact CB-CE1 4.27Å; R149-Y293 HydrophobicContact CB-CE2 4.29Å; R149-Y293 HydrophobicContact CB-CG 3.63Å; R149-Y293 HydrophobicContact CG-CD2 3.64Å; R149-Y293 HydrophobicContact CG-CE2 4.17Å; R149-Y293 HydrophobicContact CG-CG 3.87Å; R149-D294 IonicContact NH1-OD1 2.79Å; R149-D294 PolarHBondContact NH1-OD1 3.21Å
150	E	98.2	Very high	97	Very high	25 Å²	25	19.4 Å²	19.4	12%	0.117	10%	0.099	C	C	.	.	H	α-helix	trans	-56	-44.7	-179	-74.6	179.4	161.1	0	0	111.7	C93 E94 H95 L96 S146 A147 H152 E153 I154	C93-E150 HydrophobicContact CB-CB 4.1Å; C93-E150 HydrophobicContact CB-CG 4.25Å; C93-E150 WeakPolarHBondContact CB-OE2 3.39Å; E94-E150 WeakPolarHBondContact CB-OE1 3.46Å; E94-E150 VanDerWaalsContact N-CD 3.32Å; E94-E150 PolarHBondContact N-OE1 3.3Å; E94-E150 PolarHBondContact N-OE2 3.43Å; H95-E150 WeakPolarHBondContact CA-OE2 3.28Å; H95-E150 WeakPolarHBondContact CB-OE2 3.27Å; H95-E150 IonicContact CD2-OE1 3.15Å; H95-E150 IonicContact CD2-OE2 3.72Å; H95-E150 PolarHBondContact N-OE2 2.85Å; L96-E150 HydrophobicContact CD1-CB 4.44Å; L96-E150 HydrophobicContact CG-CB 4.36Å; S146-E150 WeakPolarHBondContact O-CG 3.43Å; S146-E150 PolarHBondContact O-N 3.18Å; A147-E150 PolarHBondContact O-N 3.1Å; E150-H152 VanDerWaalsContact C-N 3.33Å; E150-H152 PolarHBondContact O-N 3.24Å; E150-E153 PolarHBondContact O-N 2.99Å; E150-I154 WeakPolarHBondContact O-CG1 3.35Å; E150-I154 PolarHBondContact O-N 3.3Å; E150-I154 VanDerWaalsContact O-N 3.08Å
151	L	98	Very high	97	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60.6	-42.7	176.3	-174.1	74.2	0	0	0	112.2	V86 L96 A147 V148 R149 I154 G155 Y156 H158 L180 Y183	V86-L151 HydrophobicContact CG1-CD1 3.65Å; L96-L151 HydrophobicContact CD1-CD1 4.4Å; L96-L151 HydrophobicContact CD2-CB 4.38Å; A147-L151 PolarHBondContact O-N 2.93Å; V148-L151 PolarHBondContact O-N 2.85Å; R149-L151 VanDerWaalsContact C-N 3.3Å; R149-L151 PolarHBondContact O-N 3.39Å; L151-I154 HydrophobicContact CD1-CD1 4.3Å; L151-I154 WeakPolarHBondContact O-CG1 3.4Å; L151-G155 PolarHBondContact O-N 3.06Å; L151-Y156 PolarHBondContact O-N 3.02Å; L151-H158 HydrophobicContact CD2-CB 3.49Å; L151-H158 VanDerWaalsContact CD2-CB 3.49Å; L151-L180 HydrophobicContact CB-CD2 4.48Å; L151-L180 HydrophobicContact CD2-CD2 4.1Å; L151-Y183 HydrophobicContact CD1-CD1 4.4Å
152	H	96.6	Very high	96.9	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.009	11%	0.107	C	C	.	.	H	α-helix	trans	-69.8	-33.6	-179.9	-69	176	0	0	0	112.6	V148 R149 E150 G155 Y156 V225 D228 Y293	V148-H152 WeakPolarHBondContact CG1-CE1 3.2Å; V148-H152 WeakPolarHBondContact O-CB 3.22Å; V148-H152 PolarHBondContact O-CD2 3.41Å; V148-H152 PolarHBondContact O-N 2.97Å; R149-H152 WeakPolarHBondContact O-CB 3.45Å; R149-H152 PolarHBondContact O-N 2.8Å; E150-H152 VanDerWaalsContact C-N 3.33Å; E150-H152 PolarHBondContact O-N 3.24Å; H152-G155 PolarHBondContact O-N 3.18Å; H152-G155 VanDerWaalsContact O-N 3.17Å; H152-Y156 WeakPolarHBondContact CA-O 3.41Å; H152-Y156 PolarHBondContact CD2-O 3.09Å; H152-V225 HydrophobicContact CB-CG1 4.11Å; H152-V225 VanDerWaalsContact CE1-CB 3.49Å; H152-V225 WeakPolarHBondContact CE1-CB 3.31Å; H152-V225 PolarHBondContact CE1-O 3.45Å; H152-V225 WeakPolarHBondContact ND1-CB 3.29Å; H152-D228 IonicContact NE2-OD2 3.59Å; H152-D228 PolarHBondContact NE2-OD2 3.32Å; H152-D228 VanDerWaalsContact NE2-OD2 3.1Å; H152-Y293 AromaticContact ND1-CE1 3.86Å; H152-Y293 AromaticContact ND1-CZ 3.57Å; H152-Y293 PolarHBondContact ND1-OH 2.86Å
153	E	95.7	Very high	96.9	Very high	133 Å²	133	19.8 Å²	19.8	62%	0.621	10%	0.099	S	C	*	.	H	α-helix	trans	-69.9	-38	176.6	-75.3	173.5	172.1	0	0	112.2	R149 E150 G155	R149-E153 WeakPolarHBondContact CD-OE1 3.45Å; R149-E153 HydrophobicContact CG-CG 4.19Å; R149-E153 WeakPolarHBondContact CG-OE1 3.05Å; R149-E153 WeakPolarHBondContact O-CG 3.09Å; R149-E153 PolarHBondContact O-N 3.33Å; E150-E153 PolarHBondContact O-N 2.99Å; E153-G155 PolarHBondContact O-N 3.49Å
154	I	95.7	Very high	96.9	Very high	42 Å²	42	19.9 Å²	19.9	22%	0.215	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	4.2	170.8	67.5	166.6	0	0	0	113.2	V86 A89 L96 E150 L151 Y156	V86-I154 HydrophobicContact CG1-CD1 4.3Å; A89-I154 HydrophobicContact CB-CB 4.37Å; A89-I154 HydrophobicContact CB-CD1 4.09Å; L96-I154 HydrophobicContact CD1-CD1 3.74Å; E150-I154 WeakPolarHBondContact O-CG1 3.35Å; E150-I154 PolarHBondContact O-N 3.3Å; E150-I154 VanDerWaalsContact O-N 3.08Å; L151-I154 HydrophobicContact CD1-CD1 4.3Å; L151-I154 WeakPolarHBondContact O-CG1 3.4Å; I154-Y156 HydrophobicContact CD1-CD2 4.29Å; I154-Y156 HydrophobicContact CG1-CD2 4.11Å; I154-Y156 WeakPolarHBondContact O-CD2 3.48Å
155	G	94.1	Very high	96.8	Very high	22 Å²	22	20.1 Å²	20.1	23%	0.227	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	31.4	168.9	0	0	0	0	0	114.8	L151 H152 E153 R188 R189	L151-G155 PolarHBondContact O-N 3.06Å; H152-G155 PolarHBondContact O-N 3.18Å; H152-G155 VanDerWaalsContact O-N 3.17Å; E153-G155 PolarHBondContact O-N 3.49Å; G155-R188 CarbonylContact O-C 3.54Å; G155-R188 WeakPolarHBondContact O-CA 3.43Å; G155-R189 WeakPolarHBondContact O-CB 3.16Å; G155-R189 PolarHBondContact O-N 3.32Å
156	Y	95.1	Very high	96.8	Very high	15 Å²	15	20.1 Å²	20.1	6%	0.059	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	155.9	175.9	-70.4	-94.8	0	0	0	112.3	E85 V86 A89 L151 H152 I154 C186 R187 R188	E85-Y156 PolarHBondContact OE2-OH 2.92Å; V86-Y156 HydrophobicContact CG2-CD1 3.49Å; V86-Y156 VanDerWaalsContact CG2-CD1 3.49Å; V86-Y156 HydrophobicContact CG2-CD2 4.17Å; V86-Y156 HydrophobicContact CG2-CE1 3.51Å; V86-Y156 HydrophobicContact CG2-CE2 4.23Å; V86-Y156 HydrophobicContact CG2-CG 3.82Å; A89-Y156 HydrophobicContact CB-CE2 4.19Å; L151-Y156 PolarHBondContact O-N 3.02Å; H152-Y156 WeakPolarHBondContact CA-O 3.41Å; H152-Y156 PolarHBondContact CD2-O 3.09Å; I154-Y156 HydrophobicContact CD1-CD2 4.29Å; I154-Y156 HydrophobicContact CG1-CD2 4.11Å; I154-Y156 WeakPolarHBondContact O-CD2 3.48Å; Y156-C186 HydrophobicContact CD1-CB 4.19Å; Y156-R187 CarbonylContact C-O 3.57Å; Y156-R187 VanDerWaalsContact CA-O 3.32Å; Y156-R187 WeakPolarHBondContact CA-O 3.29Å; Y156-R188 HydrophobicContact CD1-CG 4.04Å; Y156-R188 HydrophobicContact CE1-CB 4.43Å; Y156-R188 HydrophobicContact CE1-CG 3.43Å; Y156-R188 VanDerWaalsContact CE1-CG 3.43Å; Y156-R188 PolarHBondContact OH-NE 2.77Å
157	V	94.6	Very high	96.8	Very high	7 Å²	7	19.7 Å²	19.7	4%	0.042	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.6	167.5	179.5	0	0	0	0	106.8	N159 C186 R187 R189 V225 D228	V157-N159 WeakPolarHBondContact CG1-OD1 3.46Å; V157-N159 PolarHBondContact O-ND2 2.84Å; V157-C186 CarbonylContact O-C 3.43Å; V157-C186 WeakPolarHBondContact O-CA 3.38Å; V157-R187 PolarHBondContact N-O 2.81Å; V157-R187 PolarHBondContact O-N 2.9Å; V157-R189 HydrophobicContact CG2-CB 4.44Å; V157-V225 HydrophobicContact CG2-CG1 4.03Å; V157-D228 WeakPolarHBondContact CG1-OD2 3.36Å
158	H	95.3	Very high	96.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.			trans	-72.1	-43.7	-173.6	-165	-71	0	0	0	113.6	L151 N160 I161 L180 D182 L185 D228	L151-H158 HydrophobicContact CD2-CB 3.49Å; L151-H158 VanDerWaalsContact CD2-CB 3.49Å; H158-N160 PolarHBondContact ND1-N 3Å; H158-N160 VanDerWaalsContact ND1-N 3.17Å; H158-N160 PolarHBondContact O-N 3.42Å; H158-I161 HydrophobicContact CB-CD1 3.63Å; H158-I161 HydrophobicContact CB-CG1 4.03Å; H158-L180 WeakPolarHBondContact NE2-CD1 3.24Å; H158-D182 PolarHBondContact CE1-O 3.26Å; H158-D182 VanDerWaalsContact CE1-O 3.31Å; H158-D182 PolarHBondContact NE2-O 3.49Å; H158-L185 CarbonylContact O-C 3.59Å; H158-D228 WeakPolarHBondContact CB-OD2 3.45Å; H158-D228 PolarHBondContact N-OD2 3.3Å
159	N	94.1	Very high	96.4	Very high	25 Å²	25	21.3 Å²	21.3	13%	0.134	11%	0.11	C	C	.	.	S	Bend	trans	63.8	10.2	-176.9	-52.2	-63.8	0	0	0	116.1	V157 L185 S208 C223 D228	V157-N159 WeakPolarHBondContact CG1-OD1 3.46Å; V157-N159 PolarHBondContact O-ND2 2.84Å; N159-L185 PolarHBondContact ND2-O 3.27Å; N159-S208 WeakPolarHBondContact O-CB 3.49Å; N159-C223 WeakPolarHBondContact OD1-CB 3.39Å; N159-D228 WeakPolarHBondContact CA-OD1 2.95Å; N159-D228 PolarHBondContact N-OD1 2.99Å
160	N	95.2	Very high	95.9	Very high	10 Å²	10	21.6 Å²	21.6	5%	0.053	11%	0.113	C	C	.	.			trans	-155	33.7	-176.5	-158.5	35	0	0	0	113.3	H158 K162 L185 S209	H158-N160 PolarHBondContact ND1-N 3Å; H158-N160 VanDerWaalsContact ND1-N 3.17Å; H158-N160 PolarHBondContact O-N 3.42Å; N160-K162 PolarHBondContact ND2-NZ 3.07Å; N160-K162 WeakPolarHBondContact O-CG 3.39Å; N160-K162 PolarHBondContact O-N 2.78Å; N160-L185 HydrophobicContact CB-CB 4.39Å; N160-L185 HydrophobicContact CB-CD1 3.89Å; N160-S209 PolarHBondContact OD1-N 3.32Å
161	I	98.3	Very high	95	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	14%	0.144	C	C	.	.			trans	-60.3	123.9	174.3	-61.3	-57.5	0	0	0	109.2	V148 H158 F166 L180 Y212 D228 V232	V148-I161 HydrophobicContact CG2-CD1 3.82Å; V148-I161 HydrophobicContact CG2-CG1 4.37Å; H158-I161 HydrophobicContact CB-CD1 3.63Å; H158-I161 HydrophobicContact CB-CG1 4.03Å; I161-F166 HydrophobicContact CD1-CE2 4.2Å; I161-F166 HydrophobicContact CD1-CZ 4.06Å; I161-F166 HydrophobicContact CG2-CE2 3.99Å; I161-F166 HydrophobicContact CG2-CZ 4.44Å; I161-L180 HydrophobicContact CD1-CD1 4.12Å; I161-L180 HydrophobicContact CD1-CD2 4.23Å; I161-Y212 VanDerWaalsContact O-CB 3.29Å; I161-Y212 WeakPolarHBondContact O-CB 3.43Å; I161-D228 HydrophobicContact CG1-CB 4.05Å; I161-V232 HydrophobicContact CG2-CG2 3.9Å
162	K	97.8	Very high	93.9	Very high	38 Å²	38	32.8 Å²	32.8	17%	0.165	17%	0.171	C	C	.	.	S	Bend	trans	-168.9	159.2	-179.5	63.1	-170.3	177.8	-179	0	110.5	N160 S164 N165 F166 Y212	N160-K162 PolarHBondContact ND2-NZ 3.07Å; N160-K162 WeakPolarHBondContact O-CG 3.39Å; N160-K162 PolarHBondContact O-N 2.78Å; K162-S164 WeakPolarHBondContact CD-OG 3.43Å; K162-S164 VanDerWaalsContact CE-OG 3.24Å; K162-S164 WeakPolarHBondContact CE-OG 3.3Å; K162-S164 WeakPolarHBondContact CG-OG 3.38Å; K162-S164 PolarHBondContact O-N 2.89Å; K162-N165 WeakPolarHBondContact CE-OD1 3.48Å; K162-N165 HydrophobicContact CG-CB 4.25Å; K162-N165 PolarHBondContact O-N 3.28Å; K162-F166 WeakPolarHBondContact O-CD2 3.33Å; K162-Y212 HydrophobicContact CB-CD1 4.37Å; K162-Y212 HydrophobicContact CB-CD2 3.22Å; K162-Y212 HydrophobicContact CB-CE2 3.53Å; K162-Y212 HydrophobicContact CB-CG 3.71Å; K162-Y212 HydrophobicContact CD-CD2 4.26Å; K162-Y212 HydrophobicContact CD-CE2 4.42Å; K162-Y212 HydrophobicContact CG-CD2 4.35Å
163	P	98.1	Very high	92.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-54.6	-32.5	-179.4	-24.9	31.2	0	0	0	115	L120 S121 N165 F166 Y212 T235 E238 L239	L120-P163 HydrophobicContact CB-CB 3.92Å; L120-P163 WeakPolarHBondContact CB-O 3.34Å; L120-P163 PolarHBondContact N-O 2.61Å; S121-P163 PolarHBondContact N-O 2.69Å; P163-N165 PolarHBondContact O-N 3.32Å; P163-F166 PolarHBondContact O-N 3.32Å; P163-Y212 HydrophobicContact CG-CE1 4.16Å; P163-T235 HydrophobicContact CG-CG2 3.94Å; P163-E238 WeakPolarHBondContact CG-OE2 3.24Å; P163-L239 HydrophobicContact CB-CD2 4.21Å; P163-L239 HydrophobicContact CG-CD2 4.13Å
164	S	96.5	Very high	91.7	Very high	33 Å²	33	31.9 Å²	31.9	23%	0.231	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-73.3	-6.7	-179.5	43.6	0	0	0	0	115	K162 F181	K162-S164 WeakPolarHBondContact CD-OG 3.43Å; K162-S164 VanDerWaalsContact CE-OG 3.24Å; K162-S164 WeakPolarHBondContact CE-OG 3.3Å; K162-S164 WeakPolarHBondContact CG-OG 3.38Å; K162-S164 PolarHBondContact O-N 2.89Å; S164-F181 WeakPolarHBondContact O-CZ 3.27Å
165	N	97.8	Very high	91.1	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.032	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-109.5	11.4	176.7	-76.4	34.5	0	0	0	112.7	K162 P163 L180 F181 D182	K162-N165 WeakPolarHBondContact CE-OD1 3.48Å; K162-N165 HydrophobicContact CG-CB 4.25Å; K162-N165 PolarHBondContact O-N 3.28Å; P163-N165 PolarHBondContact O-N 3.32Å; N165-L180 HydrophobicContact CB-CD1 4.49Å; N165-L180 WeakPolarHBondContact O-CD1 3.27Å; N165-F181 VanDerWaalsContact C-CD1 3.44Å; N165-F181 PolarHBondContact ND2-O 3.06Å; N165-F181 WeakPolarHBondContact O-CD1 3.21Å; N165-F181 PolarHBondContact O-N 3.43Å; N165-D182 PolarHBondContact ND2-OD2 3.2Å
166	F	98.4	Very high	90.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.1	171.5	-71	-91.1	0	0	0	110.2	N119 L120 L144 A147 V148 I161 K162 P163 L178 Y179 L180	N119-F166 CarbonylContact C-O 3.59Å; N119-F166 WeakPolarHBondContact CA-O 3.11Å; N119-F166 VanDerWaalsContact CB-O 3.24Å; N119-F166 WeakPolarHBondContact CB-O 3.36Å; L120-F166 HydrophobicContact CD1-CB 3.75Å; L120-F166 HydrophobicContact CG-CB 4.06Å; L120-F166 PolarHBondContact N-O 2.78Å; L144-F166 HydrophobicContact CB-CE1 4.3Å; L144-F166 HydrophobicContact CD1-CD2 4.27Å; L144-F166 HydrophobicContact CD1-CE1 4.45Å; L144-F166 HydrophobicContact CD1-CE2 4.15Å; L144-F166 HydrophobicContact CD1-CG 4.48Å; L144-F166 HydrophobicContact CD1-CZ 4.23Å; L144-F166 HydrophobicContact CD2-CZ 4.2Å; L144-F166 HydrophobicContact CG-CD1 4.22Å; L144-F166 HydrophobicContact CG-CE1 3.73Å; L144-F166 HydrophobicContact CG-CE2 4.08Å; L144-F166 HydrophobicContact CG-CZ 3.64Å; A147-F166 HydrophobicContact CB-CE1 4.03Å; V148-F166 HydrophobicContact CG2-CZ 4.35Å; I161-F166 HydrophobicContact CD1-CE2 4.2Å; I161-F166 HydrophobicContact CD1-CZ 4.06Å; I161-F166 HydrophobicContact CG2-CE2 3.99Å; I161-F166 HydrophobicContact CG2-CZ 4.44Å; K162-F166 WeakPolarHBondContact O-CD2 3.33Å; P163-F166 PolarHBondContact O-N 3.32Å; F166-L178 HydrophobicContact CB-CD1 4.14Å; F166-L178 HydrophobicContact CB-CD2 4.05Å; F166-L178 HydrophobicContact CB-CG 4.11Å; F166-L178 HydrophobicContact CD1-CD2 3.68Å; F166-L178 HydrophobicContact CD1-CG 4.06Å; F166-L178 HydrophobicContact CG-CD2 4.16Å; F166-Y179 VanDerWaalsContact CA-O 3.29Å; F166-Y179 WeakPolarHBondContact CA-O 3.46Å; F166-L180 HydrophobicContact CD1-CB 4.17Å; F166-L180 HydrophobicContact CD1-CD1 4.38Å; F166-L180 HydrophobicContact CD2-CD1 4.38Å; F166-L180 HydrophobicContact CE1-CB 3.74Å; F166-L180 HydrophobicContact CE1-CD1 3.86Å; F166-L180 HydrophobicContact CE1-CG 4.24Å; F166-L180 HydrophobicContact CE2-CD1 3.84Å; F166-L180 HydrophobicContact CZ-CB 4.29Å; F166-L180 HydrophobicContact CZ-CD1 3.57Å; F166-L180 HydrophobicContact CZ-CD2 4.38Å; F166-L180 HydrophobicContact CZ-CG 4.29Å
167	A	97.4	Very high	90.6	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.008	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	150.3	176	0	0	0	0	0	110.5	L116 N119 Y179 F181	L116-A167 HydrophobicContact CB-CB 3.84Å; L116-A167 HydrophobicContact CD1-CB 3.87Å; N119-A167 HydrophobicContact CB-CB 4.2Å; A167-Y179 PolarHBondContact N-O 3.5Å; A167-Y179 VanDerWaalsContact N-O 3.08Å; A167-Y179 PolarHBondContact O-N 3.43Å; A167-F181 HydrophobicContact CB-CD1 4.41Å; A167-F181 HydrophobicContact CB-CE1 3.83Å
168	F	96	Very high	90.8	Very high	27 Å²	27	37.5 Å²	37.5	12%	0.118	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	146.6	173.8	-70.7	-79.8	0	0	0	111.2	G117 L120 I140 K177 L178	G117-F168 PolarHBondContact N-O 2.83Å; L120-F168 HydrophobicContact CD2-CD2 4.23Å; L120-F168 HydrophobicContact CD2-CE2 3.73Å; I140-F168 HydrophobicContact CG1-CE2 4.45Å; I140-F168 HydrophobicContact CG1-CZ 3.91Å; F168-K177 CarbonylContact C-O 3.14Å; F168-K177 VanDerWaalsContact CA-O 3.31Å; F168-K177 WeakPolarHBondContact CA-O 3.47Å; F168-L178 HydrophobicContact CD1-CB 4.36Å; F168-L178 HydrophobicContact CD1-CD1 4.15Å; F168-L178 HydrophobicContact CD2-CD1 4.04Å; F168-L178 HydrophobicContact CE1-CB 4.2Å; F168-L178 HydrophobicContact CE1-CD1 4.06Å; F168-L178 HydrophobicContact CE2-CD1 3.97Å; F168-L178 HydrophobicContact CG-CD1 4.15Å; F168-L178 HydrophobicContact CZ-CD1 3.98Å
169	G	93.8	Very high	90.9	Very high	6 Å²	6	38.4 Å²	38.4	6%	0.062	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	159.5	170	0	0	0	0	0	111.9	G174 K177	G169-G174 VanDerWaalsContact CA-O 3.29Å; G169-G174 WeakPolarHBondContact CA-O 2.98Å; G169-K177 PolarHBondContact N-O 3.15Å
170	Q	87.7	Confident	91.1	Very high	60 Å²	60	37.2 Å²	37.2	28%	0.28	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-96.8	156.2	178.1	-62.3	-167.7	-16.6	0	0	110.7	H115 L116 P172 D173	H115-Q170 PolarHBondContact CE1-NE2 3.47Å; H115-Q170 VanDerWaalsContact CE1-NE2 3.25Å; H115-Q170 VanDerWaalsContact ND1-CD 3.27Å; H115-Q170 PolarHBondContact ND1-NE2 3.49Å; H115-Q170 VanDerWaalsContact ND1-NE2 3.19Å; H115-Q170 PolarHBondContact ND1-OE1 2.9Å; L116-Q170 PolarHBondContact O-NE2 2.91Å; Q170-P172 CarbonylContact O-C 3.54Å; Q170-D173 CarbonylContact O-C 3.51Å; Q170-D173 PolarHBondContact O-N 3.28Å
171	F	78.9	Confident	91.2	Very high	172 Å²	172	38.8 Å²	38.8	75%	0.754	20%	0.204	S	C	*	.	S	Bend	trans	-64.1	142.5	168.8	-174.8	-87.6	0	0	0	110.9
172	P	74.5	Confident	91	Very high	89 Å²	89	40.5 Å²	40.5	58%	0.578	21%	0.213	S	C	*	.	S	Bend	cis	-83.2	-16.8	-5.5	33.5	-33.9	0	0	0	113.5	Q170 G174	Q170-P172 CarbonylContact O-C 3.54Å; P172-G174 PolarHBondContact O-N 2.92Å
173	D	71	Confident	90.9	Very high	94 Å²	94	38.8 Å²	38.8	50%	0.503	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	100.9	-169.1	-63.4	-27	0	0	0	113	Q170	Q170-D173 CarbonylContact O-C 3.51Å; Q170-D173 PolarHBondContact O-N 3.28Å
174	G	75.8	Confident	90.5	Very high	22 Å²	22	40.5 Å²	40.5	23%	0.227	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	85	17.4	173.4	0	0	0	0	0	114.5	G169 P172 G176 K177	G169-G174 VanDerWaalsContact CA-O 3.29Å; G169-G174 WeakPolarHBondContact CA-O 2.98Å; P172-G174 PolarHBondContact O-N 2.92Å; G174-G176 PolarHBondContact O-N 3.42Å; G174-K177 WeakPolarHBondContact O-CB 3.49Å; G174-K177 PolarHBondContact O-N 3.4Å; G174-K177 VanDerWaalsContact O-N 3.07Å
175	H	82.1	Confident	90.2	Very high	122 Å²	122	40.5 Å²	40.5	57%	0.565	22%	0.215	S	C	*	.	B	Isolated β-bridge	trans	-51.7	134.1	172.2	-175.7	-98.3	0	0	0	111.1	K177	H175-K177 PolarHBondContact O-N 3.24Å
176	G	86.6	Confident	90	Very high	22 Å²	22	40.7 Å²	40.7	23%	0.227	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	-14.6	-177.9	0	0	0	0	0	115.5	G174	G174-G176 PolarHBondContact O-N 3.42Å
177	K	93.7	Very high	89.6	Confident	59 Å²	59	45.5 Å²	45.5	26%	0.257	23%	0.234	S	C	.	.			trans	-93.4	134.7	178.2	-173	169.9	-63.6	-167.3	0	111.4	E94 F168 G169 G174 H175 Y179	E94-K177 HydrophobicContact CB-CD 4.34Å; E94-K177 WeakPolarHBondContact O-CD 3.29Å; E94-K177 IonicContact OE2-NZ 3.5Å; E94-K177 PolarHBondContact OE2-NZ 3.02Å; F168-K177 CarbonylContact C-O 3.14Å; F168-K177 VanDerWaalsContact CA-O 3.31Å; F168-K177 WeakPolarHBondContact CA-O 3.47Å; G169-K177 PolarHBondContact N-O 3.15Å; G174-K177 WeakPolarHBondContact O-CB 3.49Å; G174-K177 PolarHBondContact O-N 3.4Å; G174-K177 VanDerWaalsContact O-N 3.07Å; H175-K177 PolarHBondContact O-N 3.24Å; K177-Y179 HydrophobicContact CB-CE2 3.98Å; K177-Y179 HydrophobicContact CD-CE2 4.47Å; K177-Y179 HydrophobicContact CG-CE2 4.12Å; K177-Y179 WeakPolarHBondContact O-CD2 3.39Å
178	L	97.6	Very high	89.1	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	135.8	173.9	-163.2	74.7	0	0	0	111.2	H95 L120 I140 D143 L144 F166 F168	H95-L178 WeakPolarHBondContact CB-O 3.38Å; H95-L178 PolarHBondContact ND1-O 3.33Å; L120-L178 HydrophobicContact CD1-CD1 4.03Å; L120-L178 HydrophobicContact CD1-CD2 4.19Å; L120-L178 HydrophobicContact CD2-CD1 3.9Å; L120-L178 HydrophobicContact CG-CD1 4.03Å; I140-L178 HydrophobicContact CG2-CD2 4.07Å; D143-L178 HydrophobicContact CB-CB 3.6Å; D143-L178 HydrophobicContact CB-CD2 4.33Å; D143-L178 PolarHBondContact OD2-N 2.85Å; L144-L178 HydrophobicContact CB-CD2 3.93Å; F166-L178 HydrophobicContact CB-CD1 4.14Å; F166-L178 HydrophobicContact CB-CD2 4.05Å; F166-L178 HydrophobicContact CB-CG 4.11Å; F166-L178 HydrophobicContact CD1-CD2 3.68Å; F166-L178 HydrophobicContact CD1-CG 4.06Å; F166-L178 HydrophobicContact CG-CD2 4.16Å; F168-L178 HydrophobicContact CD1-CB 4.36Å; F168-L178 HydrophobicContact CD1-CD1 4.15Å; F168-L178 HydrophobicContact CD2-CD1 4.04Å; F168-L178 HydrophobicContact CE1-CB 4.2Å; F168-L178 HydrophobicContact CE1-CD1 4.06Å; F168-L178 HydrophobicContact CE2-CD1 3.97Å; F168-L178 HydrophobicContact CG-CD1 4.15Å; F168-L178 HydrophobicContact CZ-CD1 3.98Å
179	Y	98.3	Very high	88.3	Confident	20 Å²	20	55.4 Å²	55.4	8%	0.078	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.5	177.7	-68.9	-92.8	0	0	0	111.8	E94 H95 L116 F166 A167 K177	E94-Y179 WeakPolarHBondContact O-CE1 3.49Å; H95-Y179 CarbonylContact O-C 3.6Å; H95-Y179 VanDerWaalsContact O-CA 3.27Å; H95-Y179 WeakPolarHBondContact O-CA 3.44Å; L116-Y179 HydrophobicContact CD2-CD2 3.75Å; L116-Y179 HydrophobicContact CD2-CE2 4.46Å; L116-Y179 HydrophobicContact CD2-CG 3.9Å; F166-Y179 VanDerWaalsContact CA-O 3.29Å; F166-Y179 WeakPolarHBondContact CA-O 3.46Å; A167-Y179 PolarHBondContact N-O 3.5Å; A167-Y179 VanDerWaalsContact N-O 3.08Å; A167-Y179 PolarHBondContact O-N 3.43Å; K177-Y179 HydrophobicContact CB-CE2 3.98Å; K177-Y179 HydrophobicContact CD-CE2 4.47Å; K177-Y179 HydrophobicContact CG-CE2 4.12Å; K177-Y179 WeakPolarHBondContact O-CD2 3.39Å
180	L	98.6	Very high	86.9	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	131.4	167	176.9	53.9	0	0	0	109.9	H95 L96 V97 A147 L151 H158 I161 N165 F166 Y183	H95-L180 PolarHBondContact O-N 3.36Å; L96-L180 HydrophobicContact CD2-CB 4.05Å; L96-L180 HydrophobicContact CD2-CD2 4.13Å; L96-L180 HydrophobicContact CD2-CG 4.44Å; V97-L180 PolarHBondContact N-O 2.79Å; A147-L180 HydrophobicContact CB-CB 3.91Å; A147-L180 HydrophobicContact CB-CD2 4.48Å; L151-L180 HydrophobicContact CB-CD2 4.48Å; L151-L180 HydrophobicContact CD2-CD2 4.1Å; H158-L180 WeakPolarHBondContact NE2-CD1 3.24Å; I161-L180 HydrophobicContact CD1-CD1 4.12Å; I161-L180 HydrophobicContact CD1-CD2 4.23Å; N165-L180 HydrophobicContact CB-CD1 4.49Å; N165-L180 WeakPolarHBondContact O-CD1 3.27Å; F166-L180 HydrophobicContact CD1-CB 4.17Å; F166-L180 HydrophobicContact CD1-CD1 4.38Å; F166-L180 HydrophobicContact CD2-CD1 4.38Å; F166-L180 HydrophobicContact CE1-CB 3.74Å; F166-L180 HydrophobicContact CE1-CD1 3.86Å; F166-L180 HydrophobicContact CE1-CG 4.24Å; F166-L180 HydrophobicContact CE2-CD1 3.84Å; F166-L180 HydrophobicContact CZ-CB 4.29Å; F166-L180 HydrophobicContact CZ-CD1 3.57Å; F166-L180 HydrophobicContact CZ-CD2 4.38Å; F166-L180 HydrophobicContact CZ-CG 4.29Å; L180-Y183 HydrophobicContact CG-CE1 4.16Å; L180-Y183 PolarHBondContact O-OH 3.03Å
181	F	96.5	Very high	85.4	Confident	43 Å²	43	58.8 Å²	58.8	19%	0.189	30%	0.3	C	S	.	.			trans	-138	173.7	178.6	70.2	-89.2	0	0	0	112.9	V97 L116 N119 S164 N165 A167	V97-F181 HydrophobicContact CB-CB 4.3Å; V97-F181 HydrophobicContact CG2-CB 3.56Å; L116-F181 HydrophobicContact CD1-CB 4.42Å; L116-F181 HydrophobicContact CD1-CD1 3.81Å; L116-F181 HydrophobicContact CD1-CE1 4.42Å; L116-F181 HydrophobicContact CD1-CG 4.35Å; N119-F181 HydrophobicContact CB-CE1 4.18Å; N119-F181 HydrophobicContact CB-CZ 4.02Å; S164-F181 WeakPolarHBondContact O-CZ 3.27Å; N165-F181 VanDerWaalsContact C-CD1 3.44Å; N165-F181 PolarHBondContact ND2-O 3.06Å; N165-F181 WeakPolarHBondContact O-CD1 3.21Å; N165-F181 PolarHBondContact O-N 3.43Å; A167-F181 HydrophobicContact CB-CD1 4.41Å; A167-F181 HydrophobicContact CB-CE1 3.83Å
182	D	94.4	Very high	84	Confident	37 Å²	37	57.7 Å²	57.7	20%	0.198	29%	0.292	C	S	.	.			trans	63.2	77.7	-176.6	177.6	28.7	0	0	0	113.6	K70 H158 N165 S184	K70-D182 IonicContact NZ-OD1 3.73Å; H158-D182 PolarHBondContact CE1-O 3.26Å; H158-D182 VanDerWaalsContact CE1-O 3.31Å; H158-D182 PolarHBondContact NE2-O 3.49Å; N165-D182 PolarHBondContact ND2-OD2 3.2Å; D182-S184 VanDerWaalsContact C-N 3.26Å; D182-S184 PolarHBondContact O-N 3Å; D182-S184 WeakPolarHBondContact OD1-CB 3.46Å; D182-S184 PolarHBondContact OD1-OG 3.46Å
183	Y	94.7	Very high	82.7	Confident	1 Å²	1	61.2 Å²	61.2	0%	0.004	30%	0.301	C	S	.	.			trans	-86.9	13	-178.8	-45.3	-64.5	0	0	0	113.8	V82 V86 M87 L96 V97 L151 L180 L185 C186	V82-Y183 WeakPolarHBondContact CG1-O 3.42Å; V86-Y183 HydrophobicContact CB-CD2 4.29Å; V86-Y183 HydrophobicContact CB-CG 4.06Å; V86-Y183 HydrophobicContact CG1-CD1 3.75Å; V86-Y183 HydrophobicContact CG1-CD2 4.02Å; V86-Y183 HydrophobicContact CG1-CE1 4.21Å; V86-Y183 HydrophobicContact CG1-CE2 4.45Å; V86-Y183 HydrophobicContact CG1-CG 3.63Å; M87-Y183 HydrophobicContact CE-CE2 4.17Å; M87-Y183 HydrophobicContact CG-CD2 3.61Å; M87-Y183 HydrophobicContact CG-CE2 3.35Å; M87-Y183 HydrophobicContact SD-CD2 4.21Å; M87-Y183 HydrophobicContact SD-CE2 4.06Å; L96-Y183 HydrophobicContact CD2-CE1 4.49Å; V97-Y183 PolarHBondContact N-OH 2.61Å; L151-Y183 HydrophobicContact CD1-CD1 4.4Å; L180-Y183 HydrophobicContact CG-CE1 4.16Å; L180-Y183 PolarHBondContact O-OH 3.03Å; Y183-L185 PolarHBondContact O-N 3.45Å; Y183-C186 VanDerWaalsContact CB-SG 3.6Å; Y183-C186 VanDerWaalsContact O-CB 3.22Å; Y183-C186 WeakPolarHBondContact O-CB 3.4Å; Y183-C186 PolarHBondContact O-N 3.29Å
184	S	90.9	Very high	81.7	Confident	37 Å²	37	58.2 Å²	58.2	26%	0.259	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-22.7	-173.4	58.4	0	0	0	0	114.4	E83 D182	E83-S184 WeakPolarHBondContact OE1-CB 3.05Å; D182-S184 VanDerWaalsContact C-N 3.26Å; D182-S184 PolarHBondContact O-N 3Å; D182-S184 WeakPolarHBondContact OD1-CB 3.46Å; D182-S184 PolarHBondContact OD1-OG 3.46Å
185	L	90.4	Very high	80.3	Confident	33 Å²	33	59.4 Å²	59.4	17%	0.173	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	6.2	177.6	-60	-176.7	0	0	0	113.5	H158 N159 N160 Y183 R207	H158-L185 CarbonylContact O-C 3.59Å; N159-L185 PolarHBondContact ND2-O 3.27Å; N160-L185 HydrophobicContact CB-CB 4.39Å; N160-L185 HydrophobicContact CB-CD1 3.89Å; Y183-L185 PolarHBondContact O-N 3.45Å; L185-R207 HydrophobicContact CD1-CB 3.95Å; L185-R207 WeakPolarHBondContact CD1-O 3.22Å; L185-R207 HydrophobicContact CD2-CB 3.71Å; L185-R207 HydrophobicContact CD2-CG 4.41Å
186	C	92.7	Very high	78.8	Confident	9 Å²	9	58.8 Å²	58.8	6%	0.061	30%	0.297	C	S	.	.			trans	-61.7	145.8	176.9	-76	0	0	0	0	111	V82 V86 Y156 V157 Y183	V82-C186 HydrophobicContact CG1-CB 3.99Å; V86-C186 HydrophobicContact CG2-CB 3.8Å; Y156-C186 HydrophobicContact CD1-CB 4.19Å; V157-C186 CarbonylContact O-C 3.43Å; V157-C186 WeakPolarHBondContact O-CA 3.38Å; Y183-C186 VanDerWaalsContact CB-SG 3.6Å; Y183-C186 VanDerWaalsContact O-CB 3.22Å; Y183-C186 WeakPolarHBondContact O-CB 3.4Å; Y183-C186 PolarHBondContact O-N 3.29Å
187	R	90	Very high	76.9	Confident	101 Å²	101	62.8 Å²	62.8	38%	0.381	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	140.8	171.6	-67.9	-177.4	176.5	-135.9	3	108.8	Y156 V157 R189 Q198 S200	Y156-R187 CarbonylContact C-O 3.57Å; Y156-R187 VanDerWaalsContact CA-O 3.32Å; Y156-R187 WeakPolarHBondContact CA-O 3.29Å; V157-R187 PolarHBondContact N-O 2.81Å; V157-R187 PolarHBondContact O-N 2.9Å; R187-R189 PolarHBondContact O-N 3.48Å; R187-Q198 PolarHBondContact NH1-O 2.87Å; R187-S200 PolarHBondContact NH2-OG 3.17Å
188	R	87.7	Confident	74.7	Confident	125 Å²	125	63.1 Å²	63.1	47%	0.472	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	130.6	170	-77	-171.5	-174	176.2	9.1	108.9	E85 G155 Y156 F190	E85-R188 IonicContact OE1-NH2 3.46Å; E85-R188 IonicContact OE2-CZ 3.9Å; E85-R188 IonicContact OE2-NE 3.53Å; E85-R188 IonicContact OE2-NH2 3.7Å; E85-R188 PolarHBondContact OE2-NH2 2.8Å; G155-R188 CarbonylContact O-C 3.54Å; G155-R188 WeakPolarHBondContact O-CA 3.43Å; Y156-R188 HydrophobicContact CD1-CG 4.04Å; Y156-R188 HydrophobicContact CE1-CB 4.43Å; Y156-R188 HydrophobicContact CE1-CG 3.43Å; Y156-R188 VanDerWaalsContact CE1-CG 3.43Å; Y156-R188 PolarHBondContact OH-NE 2.77Å; R188-F190 HydrophobicContact CB-CD2 4.42Å; R188-F190 HydrophobicContact CB-CE2 3.65Å; R188-F190 HydrophobicContact CB-CZ 3.98Å; R188-F190 WeakPolarHBondContact O-CD2 3.35Å; R188-F190 WeakPolarHBondContact O-CE2 3.41Å; R188-F190 PolarHBondContact O-N 3.11Å; R188-F190 VanDerWaalsContact O-N 3.09Å
189	R	79.7	Confident	72.4	Confident	112 Å²	112	69.7 Å²	69.7	42%	0.423	35%	0.349	S	S	.	.			trans	-70	99.7	169.3	-178.1	-178.7	167.2	-154.6	-9.2	107	G155 V157 R187	G155-R189 WeakPolarHBondContact O-CB 3.16Å; G155-R189 PolarHBondContact O-N 3.32Å; V157-R189 HydrophobicContact CG2-CB 4.44Å; R187-R189 PolarHBondContact O-N 3.48Å
190	F	64.5	Low	69.9	Low	75 Å²	75	72.5 Å²	72.5	33%	0.329	37%	0.371	S	S	.	.			trans	-75.1	161.5	159.7	-63.3	-85.7	0	0	0	107.4	R188 P194 P195 Q198	R188-F190 HydrophobicContact CB-CD2 4.42Å; R188-F190 HydrophobicContact CB-CE2 3.65Å; R188-F190 HydrophobicContact CB-CZ 3.98Å; R188-F190 WeakPolarHBondContact O-CD2 3.35Å; R188-F190 WeakPolarHBondContact O-CE2 3.41Å; R188-F190 PolarHBondContact O-N 3.11Å; R188-F190 VanDerWaalsContact O-N 3.09Å; F190-P194 HydrophobicContact CB-CB 4.21Å; F190-P194 HydrophobicContact CD2-CB 4.14Å; F190-P194 HydrophobicContact CG-CB 4.36Å; F190-P195 VanDerWaalsContact CD1-CD 3.47Å; F190-P195 HydrophobicContact CD1-CG 4.17Å; F190-P195 HydrophobicContact CE1-CG 4.01Å; F190-P195 HydrophobicContact CZ-CG 4.29Å; F190-Q198 HydrophobicContact CE2-CG 4.27Å
191	G	55.5	Low	67.3	Low	61 Å²	61	77.9 Å²	77.9	63%	0.629	41%	0.406	S	S	*	.	S	Bend	trans	-54.2	-169	162.1	0	0	0	0	0	110.9	H193	G191-H193 CarbonylContact O-C 3.5Å; G191-H193 PolarHBondContact O-N 3.44Å
192	Y	48.7	Very low	64.5	Low	149 Å²	149	86.1 Å²	86.1	58%	0.584	44%	0.436	S	S	*	.	S	Bend	trans	-49.3	-18	-175.5	-67.7	-87.3	0	0	0	117.5	R288	Y192-R288 HydrophobicContact CE1-CB 3.94Å; Y192-R288 HydrophobicContact CE1-CG 3.9Å; Y192-R288 WeakPolarHBondContact OH-CA 3.49Å; Y192-R288 WeakPolarHBondContact OH-CB 3.38Å; Y192-R288 PolarHBondContact OH-O 3.24Å
193	H	47.5	Very low	62.2	Low	163 Å²	163	89.8 Å²	89.8	76%	0.755	46%	0.456	S	S	*	.	S	Bend	trans	-124	97.1	179.3	-57	-60.2	0	0	0	109.7	G191	G191-H193 CarbonylContact O-C 3.5Å; G191-H193 PolarHBondContact O-N 3.44Å
194	P	50.4	Low	60.1	Low	32 Å²	32	95.6 Å²	95.6	21%	0.208	49%	0.487	C	S	.	.			trans	-61	139.1	163.9	25.1	-30.9	0	0	0	108.6	F190 W199	F190-P194 HydrophobicContact CB-CB 4.21Å; F190-P194 HydrophobicContact CD2-CB 4.14Å; F190-P194 HydrophobicContact CG-CB 4.36Å; P194-W199 PolarHBondContact O-NE1 3Å
195	P	47	Very low	58.8	Low	46 Å²	46	102 Å²	102	30%	0.299	51%	0.51	S	S	.	.			trans	-56.9	145.2	176.8	22.5	-31	0	0	0	109.6	F190 S197 Q198 W199	F190-P195 VanDerWaalsContact CD1-CD 3.47Å; F190-P195 HydrophobicContact CD1-CG 4.17Å; F190-P195 HydrophobicContact CE1-CG 4.01Å; F190-P195 HydrophobicContact CZ-CG 4.29Å; P195-S197 PolarHBondContact O-N 3.32Å; P195-Q198 HydrophobicContact CG-CG 4.47Å; P195-Q198 PolarHBondContact O-N 3.35Å; P195-W199 VanDerWaalsContact O-CD1 3.3Å
196	P	49	Very low	57.9	Low	109 Å²	109	103.5 Å²	103.5	71%	0.708	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-50.4	-27.5	-178.9	-28.8	34.6	0	0	0	114	Q198 W199	P196-Q198 PolarHBondContact O-N 3.33Å; P196-W199 VanDerWaalsContact CA-CD1 3.48Å; P196-W199 WeakPolarHBondContact O-CB 3.43Å; P196-W199 PolarHBondContact O-N 3.03Å; P196-W199 VanDerWaalsContact O-N 3.14Å
197	S	46.9	Very low	57.1	Low	107 Å²	107	111.1 Å²	111.1	75%	0.748	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-62	-21.2	176.7	55.5	0	0	0	0	114.6	P195	P195-S197 PolarHBondContact O-N 3.32Å
198	Q	47.5	Very low	56.7	Low	65 Å²	65	107.2 Å²	107.2	30%	0.304	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-98.8	-7.5	175.7	-70.7	-151.2	-3.4	0	0	114.7	R187 F190 P195 P196 S200	R187-Q198 PolarHBondContact NH1-O 2.87Å; F190-Q198 HydrophobicContact CE2-CG 4.27Å; P195-Q198 HydrophobicContact CG-CG 4.47Å; P195-Q198 PolarHBondContact O-N 3.35Å; P196-Q198 PolarHBondContact O-N 3.33Å; Q198-S200 PolarHBondContact O-N 3.44Å
199	W	49	Very low	56.8	Low	139 Å²	139	102.6 Å²	102.6	53%	0.527	52%	0.52	S	S	.	.	S	Bend	trans	-69.6	91.7	169.6	-64.3	40.2	0	0	0	104.3	P194 P195 P196 P201	P194-W199 PolarHBondContact O-NE1 3Å; P195-W199 VanDerWaalsContact O-CD1 3.3Å; P196-W199 VanDerWaalsContact CA-CD1 3.48Å; P196-W199 WeakPolarHBondContact O-CB 3.43Å; P196-W199 PolarHBondContact O-N 3.03Å; P196-W199 VanDerWaalsContact O-N 3.14Å; W199-P201 WeakPolarHBondContact O-CD 3.47Å; W199-P201 WeakPolarHBondContact O-CG 3.41Å
200	S	47	Very low	57.4	Low	78 Å²	78	100.1 Å²	100.1	55%	0.545	51%	0.514	S	S	.	.			trans	-64.5	101.8	-176	46.8	0	0	0	0	108.4	R187 Q198 R202	R187-S200 PolarHBondContact NH2-OG 3.17Å; Q198-S200 PolarHBondContact O-N 3.44Å; S200-R202 PolarHBondContact O-N 3.31Å
201	P	42.7	Very low	58.9	Low	113 Å²	113	98.5 Å²	98.5	73%	0.734	51%	0.508	S	S	*	.			trans	-87.4	2.1	179.5	4.3	19.3	0	0	0	110.1	W199	W199-P201 WeakPolarHBondContact O-CD 3.47Å; W199-P201 WeakPolarHBondContact O-CG 3.41Å
202	R	39.3	Very low	60.9	Low	217 Å²	217	96.6 Å²	96.6	82%	0.819	48%	0.482	S	S	*	.	S	Bend	trans	-128.6	18.6	-153.3	-71.1	-175.7	-161.6	-169.5	6.1	116.4	S200	S200-R202 PolarHBondContact O-N 3.31Å
203	N	44.8	Very low	63.1	Low	114 Å²	114	89.7 Å²	89.7	61%	0.61	46%	0.455	S	S	*	.			trans	-162.6	100.5	157.5	-101.5	-36.1	0	0	0	111.3	K205	N203-K205 PolarHBondContact O-N 3.4Å
204	N	50.3	Low	65.3	Low	123 Å²	123	82 Å²	82	66%	0.658	42%	0.42	S	S	*	.			trans	-64.9	13.3	-178.4	-104.2	-16.1	0	0	0	115.4	R220	N204-R220 PolarHBondContact ND2-NH1 3.37Å; N204-R220 PolarHBondContact O-NH2 3.31Å; N204-R220 PolarHBondContact OD1-NH1 3.25Å
205	K	63.9	Low	67.4	Low	171 Å²	171	82.5 Å²	82.5	74%	0.743	42%	0.42	S	S	*	.			trans	-90.2	123.6	-178.9	-70.4	-175.1	180	178.8	0	109.8	N203 R207	N203-K205 PolarHBondContact O-N 3.4Å; K205-R207 PolarHBondContact O-N 3.06Å
206	M	71	Confident	69.5	Low	65 Å²	65	81.3 Å²	81.3	32%	0.32	41%	0.414	S	S	.	.			trans	-60.4	117.7	168.6	-167.7	65.7	65.8	0	0	108.5	S208 L210 A217	M206-S208 PolarHBondContact SD-OG 3.08Å; M206-L210 HydrophobicContact CB-CD2 4.49Å; M206-L210 HydrophobicContact CG-CD2 3.99Å; M206-A217 WeakPolarHBondContact CE-O 3.2Å
207	R	77.7	Confident	71.4	Confident	168 Å²	168	76.6 Å²	76.6	63%	0.634	39%	0.385	S	S	*	.			trans	-94	-27.2	175.4	-65.5	-174.2	177.9	179.7	-2.6	112.3	L185 K205	L185-R207 HydrophobicContact CD1-CB 3.95Å; L185-R207 WeakPolarHBondContact CD1-O 3.22Å; L185-R207 HydrophobicContact CD2-CB 3.71Å; L185-R207 HydrophobicContact CD2-CG 4.41Å; K205-R207 PolarHBondContact O-N 3.06Å
208	S	79.9	Confident	73.5	Confident	20 Å²	20	72.3 Å²	72.3	14%	0.14	35%	0.353	C	S	.	.	S	Bend	trans	-72.6	158.6	177.3	58.7	0	0	0	0	111.7	N159 M206 L210	N159-S208 WeakPolarHBondContact O-CB 3.49Å; M206-S208 PolarHBondContact SD-OG 3.08Å; S208-L210 PolarHBondContact O-N 2.71Å
209	S	89.8	Confident	75.4	Confident	28 Å²	28	73 Å²	73	20%	0.196	36%	0.357	C	S	.	.			trans	-64.5	121	175.1	-179.5	0	0	0	0	111.5	N160 Q211 Y212 S213	N160-S209 PolarHBondContact OD1-N 3.32Å; S209-Q211 PolarHBondContact O-N 3Å; S209-Q211 PolarHBondContact OG-N 2.97Å; S209-Y212 PolarHBondContact O-N 2.71Å; S209-Y212 WeakPolarHBondContact OG-CD2 3.48Å; S209-S213 WeakPolarHBondContact O-CB 3.39Å; S209-S213 PolarHBondContact O-N 2.81Å; S209-S213 PolarHBondContact O-OG 3.41Å
210	L	92.7	Very high	77	Confident	60 Å²	60	73.8 Å²	73.8	31%	0.314	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-31.4	175.7	-72.2	174.3	0	0	0	113.1	M206 S208 A252 I255 K259	M206-L210 HydrophobicContact CB-CD2 4.49Å; M206-L210 HydrophobicContact CG-CD2 3.99Å; S208-L210 PolarHBondContact O-N 2.71Å; L210-A252 HydrophobicContact CD2-CB 4.09Å; L210-I255 HydrophobicContact CB-CD1 4.12Å; L210-K259 PolarHBondContact O-NZ 2.84Å
211	Q	95.6	Very high	78.7	Confident	40 Å²	40	75.9 Å²	75.9	19%	0.187	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-44.5	-178.2	-68.7	-66.1	-29.1	0	0	111	S209 L244 W246 K259	S209-Q211 PolarHBondContact O-N 3Å; S209-Q211 PolarHBondContact OG-N 2.97Å; Q211-L244 HydrophobicContact CB-CD1 4.45Å; Q211-W246 PolarHBondContact NE2-O 2.73Å; Q211-W246 PolarHBondContact O-NE1 3.43Å; Q211-K259 VanDerWaalsContact O-CE 3.27Å; Q211-K259 WeakPolarHBondContact O-CE 3.4Å; Q211-K259 PolarHBondContact O-NZ 3.28Å
212	Y	97.4	Very high	80.5	Confident	21 Å²	21	74.3 Å²	74.3	8%	0.082	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-13.4	-172.4	-45.5	-81.2	0	0	0	114.1	I161 K162 P163 S209 S231 Y234 E238 L244	I161-Y212 VanDerWaalsContact O-CB 3.29Å; I161-Y212 WeakPolarHBondContact O-CB 3.43Å; K162-Y212 HydrophobicContact CB-CD1 4.37Å; K162-Y212 HydrophobicContact CB-CD2 3.22Å; K162-Y212 HydrophobicContact CB-CE2 3.53Å; K162-Y212 HydrophobicContact CB-CG 3.71Å; K162-Y212 HydrophobicContact CD-CD2 4.26Å; K162-Y212 HydrophobicContact CD-CE2 4.42Å; K162-Y212 HydrophobicContact CG-CD2 4.35Å; P163-Y212 HydrophobicContact CG-CE1 4.16Å; S209-Y212 PolarHBondContact O-N 2.71Å; S209-Y212 WeakPolarHBondContact OG-CD2 3.48Å; Y212-S231 VanDerWaalsContact O-CA 3.3Å; Y212-S231 WeakPolarHBondContact O-CA 3.33Å; Y212-S231 VanDerWaalsContact O-CB 3.24Å; Y212-S231 WeakPolarHBondContact O-CB 3.4Å; Y212-S231 PolarHBondContact O-OG 3.42Å; Y212-Y234 WeakPolarHBondContact O-CD2 3.25Å; Y212-E238 WeakPolarHBondContact CE1-OE2 3.47Å; Y212-E238 VanDerWaalsContact OH-CD 3.32Å; Y212-E238 PolarHBondContact OH-OE1 3.18Å; Y212-E238 PolarHBondContact OH-OE2 2.95Å; Y212-L244 HydrophobicContact CD1-CD1 4.05Å; Y212-L244 HydrophobicContact CE1-CD1 3.97Å
213	S	95	Very high	82.7	Confident	5 Å²	5	66 Å²	66	4%	0.035	32%	0.319	C	S	.	.	S	Bend	trans	-59.7	140.7	-179.3	65.1	0	0	0	0	111.8	S209 K259	S209-S213 WeakPolarHBondContact O-CB 3.39Å; S209-S213 PolarHBondContact O-N 2.81Å; S209-S213 PolarHBondContact O-OG 3.41Å; S213-K259 PolarHBondContact O-NZ 2.94Å
214	S	95	Very high	84.9	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.309	C	S	.	.			trans	-56.4	160.2	173.1	78.6	0	0	0	0	112.5	A216 A217 Q218 D227 E230	S214-A216 PolarHBondContact O-N 3.4Å; S214-A216 PolarHBondContact OG-N 3.1Å; S214-A217 PolarHBondContact O-N 2.91Å; S214-A217 WeakPolarHBondContact OG-CB 3.2Å; S214-A217 PolarHBondContact OG-N 2.68Å; S214-Q218 WeakPolarHBondContact O-CB 3.33Å; S214-Q218 PolarHBondContact O-N 2.63Å; S214-D227 WeakPolarHBondContact CB-OD1 2.94Å; S214-D227 WeakPolarHBondContact OG-CB 3.46Å; S214-D227 PolarHBondContact OG-OD1 3.35Å; S214-E230 WeakPolarHBondContact CA-OE1 3.37Å; S214-E230 WeakPolarHBondContact CB-OE2 3.19Å
215	I	94.3	Very high	87	Confident	43 Å²	43	58.1 Å²	58.1	22%	0.221	28%	0.28	C	S	.	.	H	α-helix	trans	-55.6	-39.2	170.6	-70.2	172.1	0	0	0	110.5	Q218 M219 E230 L256 K259 R260	I215-Q218 PolarHBondContact O-N 3.11Å; I215-M219 HydrophobicContact CG2-SD 4.01Å; I215-M219 WeakPolarHBondContact O-CB 3.49Å; I215-M219 VanDerWaalsContact O-CG 3.25Å; I215-M219 WeakPolarHBondContact O-CG 3.22Å; I215-M219 PolarHBondContact O-N 3.38Å; I215-E230 PolarHBondContact N-OE1 2.84Å; I215-L256 HydrophobicContact CB-CD1 4.43Å; I215-L256 HydrophobicContact CG1-CD1 4.37Å; I215-L256 HydrophobicContact CG2-CD1 3.98Å; I215-K259 HydrophobicContact CD1-CB 4.26Å; I215-K259 HydrophobicContact CG1-CB 3.98Å; I215-R260 HydrophobicContact CD1-CG 4.14Å
216	A	90.2	Very high	88.5	Confident	21 Å²	21	50.4 Å²	50.4	17%	0.174	25%	0.246	C	C	.	.	H	α-helix	trans	-67.9	-44.9	-179.3	0	0	0	0	0	112	S214 Q218 M219 R220 K221 D227	S214-A216 PolarHBondContact O-N 3.4Å; S214-A216 PolarHBondContact OG-N 3.1Å; A216-Q218 VanDerWaalsContact C-N 3.3Å; A216-Q218 PolarHBondContact O-N 3.47Å; A216-M219 CarbonylContact O-C 3.58Å; A216-M219 WeakPolarHBondContact O-CA 3.2Å; A216-M219 PolarHBondContact O-N 3.13Å; A216-M219 VanDerWaalsContact O-N 3.14Å; A216-R220 PolarHBondContact O-N 3.48Å; A216-K221 HydrophobicContact CB-CB 4.16Å; A216-K221 HydrophobicContact CB-CD 4.22Å; A216-K221 WeakPolarHBondContact O-CB 3.47Å; A216-K221 PolarHBondContact O-N 3.26Å; A216-D227 WeakPolarHBondContact CB-OD1 3.42Å
217	A	89.8	Confident	89.6	Confident	11 Å²	11	47.8 Å²	47.8	9%	0.091	23%	0.233	C	C	.	.	H	α-helix	trans	-57.4	-45.8	174.5	0	0	0	0	0	110.8	M206 S214 M219 R220 C223	M206-A217 WeakPolarHBondContact CE-O 3.2Å; S214-A217 PolarHBondContact O-N 2.91Å; S214-A217 WeakPolarHBondContact OG-CB 3.2Å; S214-A217 PolarHBondContact OG-N 2.68Å; A217-M219 VanDerWaalsContact C-N 3.28Å; A217-M219 PolarHBondContact O-N 3.1Å; A217-R220 WeakPolarHBondContact O-CA 3.43Å; A217-R220 PolarHBondContact O-N 3.35Å; A217-C223 VanDerWaalsContact CA-SG 3.57Å; A217-C223 WeakPolarHBondContact CB-SG 3.35Å
218	Q	89.5	Confident	90.5	Very high	16 Å²	16	39.9 Å²	39.9	8%	0.075	20%	0.204	C	C	.	.	H	α-helix	trans	-64.3	-33	178.4	-168.7	162.4	3.7	0	0	113.2	S214 I215 A216 R220 A252 L256	S214-Q218 WeakPolarHBondContact O-CB 3.33Å; S214-Q218 PolarHBondContact O-N 2.63Å; I215-Q218 PolarHBondContact O-N 3.11Å; A216-Q218 VanDerWaalsContact C-N 3.3Å; A216-Q218 PolarHBondContact O-N 3.47Å; Q218-R220 PolarHBondContact O-N 2.85Å; Q218-A252 PolarHBondContact NE2-O 3.05Å; Q218-L256 HydrophobicContact CB-CD1 4.25Å; Q218-L256 HydrophobicContact CG-CB 4.4Å; Q218-L256 HydrophobicContact CG-CD1 4.17Å
219	M	87.4	Confident	91.4	Very high	81 Å²	81	38.9 Å²	38.9	40%	0.399	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	7.1	171.5	-69.3	-177.5	68.6	0	0	113.7	I215 A216 A217 K221 L256 R260	I215-M219 HydrophobicContact CG2-SD 4.01Å; I215-M219 WeakPolarHBondContact O-CB 3.49Å; I215-M219 VanDerWaalsContact O-CG 3.25Å; I215-M219 WeakPolarHBondContact O-CG 3.22Å; I215-M219 PolarHBondContact O-N 3.38Å; A216-M219 CarbonylContact O-C 3.58Å; A216-M219 WeakPolarHBondContact O-CA 3.2Å; A216-M219 PolarHBondContact O-N 3.13Å; A216-M219 VanDerWaalsContact O-N 3.14Å; A217-M219 VanDerWaalsContact C-N 3.28Å; A217-M219 PolarHBondContact O-N 3.1Å; M219-K221 HydrophobicContact CB-CG 4.29Å; M219-K221 PolarHBondContact O-N 3.4Å; M219-L256 HydrophobicContact CG-CD2 4.33Å; M219-R260 PolarHBondContact SD-NH2 2.8Å; M219-R260 VanDerWaalsContact SD-NH2 3.44Å
220	R	83.4	Confident	91.8	Very high	155 Å²	155	38.3 Å²	38.3	59%	0.585	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	31.6	179.9	-53.3	-179	178.6	168.2	3	113.5	N204 A216 A217 Q218	N204-R220 PolarHBondContact ND2-NH1 3.37Å; N204-R220 PolarHBondContact O-NH2 3.31Å; N204-R220 PolarHBondContact OD1-NH1 3.25Å; A216-R220 PolarHBondContact O-N 3.48Å; A217-R220 WeakPolarHBondContact O-CA 3.43Å; A217-R220 PolarHBondContact O-N 3.35Å; Q218-R220 PolarHBondContact O-N 2.85Å
221	K	83.7	Confident	92	Very high	121 Å²	121	35.6 Å²	35.6	53%	0.526	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-79.5	158.8	169.7	-61.6	-174.5	178.3	-177.3	0	109.8	A216 M219 C223	A216-K221 HydrophobicContact CB-CB 4.16Å; A216-K221 HydrophobicContact CB-CD 4.22Å; A216-K221 WeakPolarHBondContact O-CB 3.47Å; A216-K221 PolarHBondContact O-N 3.26Å; M219-K221 HydrophobicContact CB-CG 4.29Å; M219-K221 PolarHBondContact O-N 3.4Å; K221-C223 PolarHBondContact O-N 3.17Å; K221-C223 VanDerWaalsContact O-N 3.14Å
222	N	79.3	Confident	92.2	Very high	81 Å²	81	33.7 Å²	33.7	43%	0.433	17%	0.168	S	C	.	.	P	Polyproline II helix	trans	-61.8	117.8	170.7	-71	-26.5	0	0	0	108.8
223	C	85.4	Confident	92.2	Very high	41 Å²	41	33 Å²	33	28%	0.277	17%	0.166	S	C	.	.	P	Polyproline II helix	trans	-75.8	146.3	179.1	-61.4	0	0	0	0	110	N159 A217 K221 D227	N159-C223 WeakPolarHBondContact OD1-CB 3.39Å; A217-C223 VanDerWaalsContact CA-SG 3.57Å; A217-C223 WeakPolarHBondContact CB-SG 3.35Å; K221-C223 PolarHBondContact O-N 3.17Å; K221-C223 VanDerWaalsContact O-N 3.14Å; C223-D227 WeakPolarHBondContact CA-OD2 3.27Å; C223-D227 HydrophobicContact CB-CB 4.14Å
224	T	90.9	Very high	92.4	Very high	64 Å²	64	33.2 Å²	33.2	39%	0.393	17%	0.166	S	C	.	.			trans	-128	176.1	-177.1	65.3	0	0	0	0	109.4	W226 D227 D228	T224-W226 PolarHBondContact O-N 2.81Å; T224-W226 VanDerWaalsContact O-N 3.11Å; T224-W226 PolarHBondContact OG1-N 2.88Å; T224-D227 PolarHBondContact N-OD2 2.87Å; T224-D227 WeakPolarHBondContact O-CB 3.45Å; T224-D227 PolarHBondContact O-N 3.36Å; T224-D227 PolarHBondContact OG1-OD2 3.39Å; T224-D228 PolarHBondContact O-N 2.69Å
225	V	94.4	Very high	92.6	Very high	9 Å²	9	33.2 Å²	33.2	6%	0.055	17%	0.166	C	C	.	.	H	α-helix	trans	-54	-29.3	172.3	-63	0	0	0	0	113.2	H152 V157 D227 D228 L229 P291	H152-V225 HydrophobicContact CB-CG1 4.11Å; H152-V225 VanDerWaalsContact CE1-CB 3.49Å; H152-V225 WeakPolarHBondContact CE1-CB 3.31Å; H152-V225 PolarHBondContact CE1-O 3.45Å; H152-V225 WeakPolarHBondContact ND1-CB 3.29Å; V157-V225 HydrophobicContact CG2-CG1 4.03Å; V225-D227 VanDerWaalsContact C-N 3.32Å; V225-D228 PolarHBondContact O-N 2.88Å; V225-L229 PolarHBondContact O-N 2.72Å; V225-P291 HydrophobicContact CB-CG 4.49Å; V225-P291 HydrophobicContact CG2-CG 3.97Å
226	W	95.2	Very high	92.8	Very high	9 Å²	9	31.1 Å²	31.1	3%	0.034	16%	0.156	C	C	.	.	H	α-helix	trans	-72.4	-26.1	177.8	-66.7	109.2	0	0	0	113.2	T224 L229 E230 Y281 R285 D286 A289 P291	T224-W226 PolarHBondContact O-N 2.81Å; T224-W226 VanDerWaalsContact O-N 3.11Å; T224-W226 PolarHBondContact OG1-N 2.88Å; W226-L229 HydrophobicContact CE3-CD1 3.85Å; W226-L229 HydrophobicContact CZ3-CD1 4.01Å; W226-L229 PolarHBondContact O-N 2.84Å; W226-E230 PolarHBondContact O-N 3.27Å; W226-E230 VanDerWaalsContact O-N 3.1Å; W226-Y281 AromaticContact CH2-CE1 3.77Å; W226-Y281 HydrophobicContact CH2-CE1 3.77Å; W226-Y281 HydrophobicContact CZ3-CD1 4.1Å; W226-Y281 AromaticContact CZ3-CE1 3.59Å; W226-Y281 HydrophobicContact CZ3-CE1 3.59Å; W226-R285 HydrophobicContact CD2-CB 4.03Å; W226-R285 VanDerWaalsContact CD2-CD 3.41Å; W226-R285 HydrophobicContact CD2-CG 4.21Å; W226-R285 HydrophobicContact CE3-CB 3.7Å; W226-R285 HydrophobicContact CE3-CG 4.14Å; W226-R285 HydrophobicContact CH2-CB 3.51Å; W226-R285 HydrophobicContact CZ2-CB 3.85Å; W226-R285 HydrophobicContact CZ3-CB 3.41Å; W226-R285 VanDerWaalsContact CZ3-CB 3.41Å; W226-R285 HydrophobicContact CZ3-CG 4.35Å; W226-D286 WeakPolarHBondContact CZ2-O 2.84Å; W226-A289 PolarHBondContact NE1-O 2.79Å; W226-P291 HydrophobicContact CD2-CG 3.88Å; W226-P291 HydrophobicContact CE3-CB 4.46Å; W226-P291 HydrophobicContact CE3-CG 3.89Å; W226-P291 HydrophobicContact CH2-CB 3.84Å; W226-P291 HydrophobicContact CH2-CG 3.86Å; W226-P291 HydrophobicContact CZ2-CB 4.23Å; W226-P291 HydrophobicContact CZ2-CG 3.84Å; W226-P291 HydrophobicContact CZ3-CB 3.98Å; W226-P291 HydrophobicContact CZ3-CG 3.89Å
227	D	94.8	Very high	93.2	Very high	10 Å²	10	30.1 Å²	30.1	5%	0.053	15%	0.147	C	C	.	.	H	α-helix	trans	-74.3	-36.2	176.7	-64.1	-79.7	0	0	0	111.1	S214 A216 C223 T224 V225 L229 E230 S231	S214-D227 WeakPolarHBondContact CB-OD1 2.94Å; S214-D227 WeakPolarHBondContact OG-CB 3.46Å; S214-D227 PolarHBondContact OG-OD1 3.35Å; A216-D227 WeakPolarHBondContact CB-OD1 3.42Å; C223-D227 WeakPolarHBondContact CA-OD2 3.27Å; C223-D227 HydrophobicContact CB-CB 4.14Å; T224-D227 PolarHBondContact N-OD2 2.87Å; T224-D227 WeakPolarHBondContact O-CB 3.45Å; T224-D227 PolarHBondContact O-N 3.36Å; T224-D227 PolarHBondContact OG1-OD2 3.39Å; V225-D227 VanDerWaalsContact C-N 3.32Å; D227-L229 VanDerWaalsContact C-N 3.35Å; D227-E230 PolarHBondContact O-N 2.88Å; D227-S231 PolarHBondContact O-N 3.45Å; D227-S231 PolarHBondContact O-OG 3.04Å
228	D	97.2	Very high	93.6	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-63.4	-40.6	170.4	-80.8	-16.5	0	0	0	111.1	V148 H152 V157 H158 N159 I161 T224 V225 E230 S231 V232	V148-D228 HydrophobicContact CG1-CB 4.39Å; H152-D228 IonicContact NE2-OD2 3.59Å; H152-D228 PolarHBondContact NE2-OD2 3.32Å; H152-D228 VanDerWaalsContact NE2-OD2 3.1Å; V157-D228 WeakPolarHBondContact CG1-OD2 3.36Å; H158-D228 WeakPolarHBondContact CB-OD2 3.45Å; H158-D228 PolarHBondContact N-OD2 3.3Å; N159-D228 WeakPolarHBondContact CA-OD1 2.95Å; N159-D228 PolarHBondContact N-OD1 2.99Å; I161-D228 HydrophobicContact CG1-CB 4.05Å; T224-D228 PolarHBondContact O-N 2.69Å; V225-D228 PolarHBondContact O-N 2.88Å; D228-E230 PolarHBondContact O-N 2.92Å; D228-S231 CarbonylContact O-C 3.54Å; D228-S231 WeakPolarHBondContact O-CA 3.32Å; D228-S231 WeakPolarHBondContact O-CB 3.49Å; D228-S231 PolarHBondContact O-N 3.3Å; D228-S231 VanDerWaalsContact O-N 3.09Å; D228-V232 WeakPolarHBondContact O-CG2 3.26Å; D228-V232 PolarHBondContact O-N 3.28Å
229	L	98.1	Very high	94	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.4	-35.1	174.5	-71.2	-178.4	0	0	0	113.5	V148 V225 W226 D227 S231 V232 L233 I282 P291 Y293 I296	V148-L229 HydrophobicContact CG1-CD2 4.46Å; V225-L229 PolarHBondContact O-N 2.72Å; W226-L229 HydrophobicContact CE3-CD1 3.85Å; W226-L229 HydrophobicContact CZ3-CD1 4.01Å; W226-L229 PolarHBondContact O-N 2.84Å; D227-L229 VanDerWaalsContact C-N 3.35Å; L229-S231 VanDerWaalsContact C-N 3.29Å; L229-S231 PolarHBondContact O-N 3.2Å; L229-V232 HydrophobicContact CD2-CG2 4.39Å; L229-V232 WeakPolarHBondContact O-CB 3.26Å; L229-V232 PolarHBondContact O-N 3.34Å; L229-L233 PolarHBondContact O-N 3.45Å; L229-I282 HydrophobicContact CB-CD1 4.21Å; L229-I282 HydrophobicContact CB-CG1 4.26Å; L229-I282 VanDerWaalsContact O-CD1 3.31Å; L229-I282 WeakPolarHBondContact O-CD1 3.38Å; L229-P291 HydrophobicContact CD1-CB 3.48Å; L229-P291 VanDerWaalsContact CD1-CB 3.48Å; L229-P291 HydrophobicContact CD1-CG 3.43Å; L229-P291 VanDerWaalsContact CD1-CG 3.43Å; L229-P291 HydrophobicContact CG-CG 4.47Å; L229-Y293 HydrophobicContact CD2-CE1 4.22Å; L229-I296 HydrophobicContact CD1-CD1 3.82Å; L229-I296 HydrophobicContact CD2-CD1 4.01Å
230	E	97.8	Very high	94.5	Very high	15 Å²	15	26.8 Å²	26.8	7%	0.07	13%	0.128	C	C	.	.	H	α-helix	trans	-64.2	-38.2	171.5	-161.4	-177.1	135.3	0	0	111	S214 I215 W226 D227 D228 L233 Y234	S214-E230 WeakPolarHBondContact CA-OE1 3.37Å; S214-E230 WeakPolarHBondContact CB-OE2 3.19Å; I215-E230 PolarHBondContact N-OE1 2.84Å; W226-E230 PolarHBondContact O-N 3.27Å; W226-E230 VanDerWaalsContact O-N 3.1Å; D227-E230 PolarHBondContact O-N 2.88Å; D228-E230 PolarHBondContact O-N 2.92Å; E230-L233 WeakPolarHBondContact O-CB 2.96Å; E230-L233 PolarHBondContact O-N 3.46Å; E230-Y234 HydrophobicContact CG-CE2 3.75Å; E230-Y234 VanDerWaalsContact O-CD2 3.27Å; E230-Y234 WeakPolarHBondContact O-CD2 3.37Å; E230-Y234 PolarHBondContact O-N 3.25Å; E230-Y234 PolarHBondContact OE1-OH 3.43Å
231	S	98.4	Very high	95.1	Very high	4 Å²	4	21 Å²	21	3%	0.028	11%	0.112	C	C	.	.	H	α-helix	trans	-68	-33.4	172.2	-65.8	0	0	0	0	113.5	Y212 D227 D228 L229 T235	Y212-S231 VanDerWaalsContact O-CA 3.3Å; Y212-S231 WeakPolarHBondContact O-CA 3.33Å; Y212-S231 VanDerWaalsContact O-CB 3.24Å; Y212-S231 WeakPolarHBondContact O-CB 3.4Å; Y212-S231 PolarHBondContact O-OG 3.42Å; D227-S231 PolarHBondContact O-N 3.45Å; D227-S231 PolarHBondContact O-OG 3.04Å; D228-S231 CarbonylContact O-C 3.54Å; D228-S231 WeakPolarHBondContact O-CA 3.32Å; D228-S231 WeakPolarHBondContact O-CB 3.49Å; D228-S231 PolarHBondContact O-N 3.3Å; D228-S231 VanDerWaalsContact O-N 3.09Å; L229-S231 VanDerWaalsContact C-N 3.29Å; L229-S231 PolarHBondContact O-N 3.2Å; S231-T235 WeakPolarHBondContact O-CB 3.02Å; S231-T235 PolarHBondContact O-N 3.22Å; S231-T235 PolarHBondContact O-OG1 3.26Å
232	V	98.7	Very high	95.7	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-59.3	-48.6	169.8	169.8	0	0	0	0	109.8	L144 V145 V148 I161 D228 L229 Y234 T235 L236 L278	L144-V232 HydrophobicContact CD2-CB 4Å; L144-V232 HydrophobicContact CD2-CG1 3.47Å; L144-V232 VanDerWaalsContact CD2-CG1 3.47Å; L144-V232 HydrophobicContact CD2-CG2 3.53Å; V145-V232 HydrophobicContact CG2-CG1 4.14Å; V148-V232 HydrophobicContact CG2-CG2 3.92Å; I161-V232 HydrophobicContact CG2-CG2 3.9Å; D228-V232 WeakPolarHBondContact O-CG2 3.26Å; D228-V232 PolarHBondContact O-N 3.28Å; L229-V232 HydrophobicContact CD2-CG2 4.39Å; L229-V232 WeakPolarHBondContact O-CB 3.26Å; L229-V232 PolarHBondContact O-N 3.34Å; V232-Y234 PolarHBondContact O-N 2.8Å; V232-T235 WeakPolarHBondContact O-CB 3.39Å; V232-T235 PolarHBondContact O-N 2.64Å; V232-T235 VanDerWaalsContact O-N 3.14Å; V232-L236 HydrophobicContact CG1-CD1 3.77Å; V232-L236 HydrophobicContact CG1-CG 4.15Å; V232-L236 WeakPolarHBondContact O-CG 3.47Å; V232-L236 PolarHBondContact O-N 3.31Å; V232-L278 HydrophobicContact CG1-CD2 4.27Å
233	L	98.7	Very high	96.4	Very high	7 Å²	7	14.7 Å²	14.7	4%	0.037	9%	0.092	C	C	.	.	H	α-helix	trans	-55.9	-51.3	178.8	178.9	65.9	0	0	0	111.6	L229 E230 T235 L236 V237 V264 L278 E279 I282	L229-L233 PolarHBondContact O-N 3.45Å; E230-L233 WeakPolarHBondContact O-CB 2.96Å; E230-L233 PolarHBondContact O-N 3.46Å; L233-T235 VanDerWaalsContact C-N 3.3Å; L233-T235 PolarHBondContact O-N 2.93Å; L233-L236 PolarHBondContact O-N 3.48Å; L233-V237 HydrophobicContact CD1-CG2 4.36Å; L233-V237 HydrophobicContact CG-CG2 4.5Å; L233-V237 VanDerWaalsContact O-CG2 3.25Å; L233-V237 WeakPolarHBondContact O-CG2 2.9Å; L233-V237 PolarHBondContact O-N 3.06Å; L233-V264 HydrophobicContact CD1-CG2 3.93Å; L233-V264 HydrophobicContact CD2-CG2 4.24Å; L233-V264 HydrophobicContact CG-CG2 4.36Å; L233-L278 HydrophobicContact CB-CD2 4.22Å; L233-L278 HydrophobicContact CD1-CB 4.32Å; L233-L278 HydrophobicContact CD1-CD2 3.95Å; L233-L278 HydrophobicContact CD1-CG 4.04Å; L233-E279 HydrophobicContact CD1-CB 4.42Å; L233-E279 HydrophobicContact CD2-CB 3.97Å; L233-E279 HydrophobicContact CD2-CG 4.29Å; L233-I282 HydrophobicContact CB-CD1 3.97Å; L233-I282 HydrophobicContact CD2-CD1 4.33Å
234	Y	98.5	Very high	97	Very high	8 Å²	8	12.9 Å²	12.9	3%	0.031	8%	0.08	C	C	.	.	H	α-helix	trans	-63.6	-36.9	178.6	-58.4	-38.6	0	0	0	112.4	Y212 E230 V232 E238 L244 W246 K259 F262	Y212-Y234 WeakPolarHBondContact O-CD2 3.25Å; E230-Y234 HydrophobicContact CG-CE2 3.75Å; E230-Y234 VanDerWaalsContact O-CD2 3.27Å; E230-Y234 WeakPolarHBondContact O-CD2 3.37Å; E230-Y234 PolarHBondContact O-N 3.25Å; E230-Y234 PolarHBondContact OE1-OH 3.43Å; V232-Y234 PolarHBondContact O-N 2.8Å; Y234-E238 PolarHBondContact O-N 3.39Å; Y234-E238 VanDerWaalsContact O-N 3.09Å; Y234-L244 WeakPolarHBondContact O-CD2 3.04Å; Y234-W246 AromaticContact CD1-CH2 3.56Å; Y234-W246 HydrophobicContact CD1-CH2 3.56Å; Y234-W246 AromaticContact CD1-CZ2 3.68Å; Y234-W246 HydrophobicContact CD1-CZ2 3.68Å; Y234-W246 HydrophobicContact CD2-CZ2 4.33Å; Y234-W246 AromaticContact CE1-CH2 3.49Å; Y234-W246 HydrophobicContact CE1-CH2 3.49Å; Y234-W246 VanDerWaalsContact CE1-CH2 3.49Å; Y234-W246 AromaticContact CE1-CZ2 3.92Å; Y234-W246 HydrophobicContact CE1-CZ2 3.92Å; Y234-W246 HydrophobicContact CG-CH2 4.27Å; Y234-W246 AromaticContact CG-CZ2 3.91Å; Y234-W246 HydrophobicContact CG-CZ2 3.91Å; Y234-K259 HydrophobicContact CE2-CD 4.3Å; Y234-F262 HydrophobicContact CD1-CE1 4.26Å; Y234-F262 AromaticContact CE1-CD1 4Å; Y234-F262 HydrophobicContact CE1-CD1 4Å; Y234-F262 HydrophobicContact CE1-CE1 4.03Å
235	T	98.6	Very high	97.3	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59.6	-52.7	174.8	-63.8	0	0	0	0	110.4	L144 P163 S231 V232 L233 V237 E238 L239	L144-T235 HydrophobicContact CD1-CG2 3.81Å; P163-T235 HydrophobicContact CG-CG2 3.94Å; S231-T235 WeakPolarHBondContact O-CB 3.02Å; S231-T235 PolarHBondContact O-N 3.22Å; S231-T235 PolarHBondContact O-OG1 3.26Å; V232-T235 WeakPolarHBondContact O-CB 3.39Å; V232-T235 PolarHBondContact O-N 2.64Å; V232-T235 VanDerWaalsContact O-N 3.14Å; L233-T235 VanDerWaalsContact C-N 3.3Å; L233-T235 PolarHBondContact O-N 2.93Å; T235-V237 PolarHBondContact O-N 3.08Å; T235-E238 PolarHBondContact O-N 3.44Å; T235-L239 HydrophobicContact CG2-CD1 4.26Å; T235-L239 HydrophobicContact CG2-CG 4.48Å; T235-L239 VanDerWaalsContact O-CG 3.31Å; T235-L239 WeakPolarHBondContact O-CG 3.19Å; T235-L239 PolarHBondContact O-N 2.54Å
236	L	98.7	Very high	97.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-66.8	-35.3	-178.4	-63.1	176.6	0	0	0	113.1	A141 L144 V232 L233 L239 F240 L275 L278 F300	A141-L236 HydrophobicContact CB-CD1 3.75Å; A141-L236 HydrophobicContact CB-CD2 3.71Å; A141-L236 HydrophobicContact CB-CG 4.39Å; L144-L236 HydrophobicContact CD1-CD2 4.18Å; V232-L236 HydrophobicContact CG1-CD1 3.77Å; V232-L236 HydrophobicContact CG1-CG 4.15Å; V232-L236 WeakPolarHBondContact O-CG 3.47Å; V232-L236 PolarHBondContact O-N 3.31Å; L233-L236 PolarHBondContact O-N 3.48Å; L236-L239 HydrophobicContact CD2-CD1 4.29Å; L236-L239 PolarHBondContact O-N 3.5Å; L236-F240 WeakPolarHBondContact O-CB 3.39Å; L236-F240 PolarHBondContact O-N 2.98Å; L236-L275 HydrophobicContact CB-CD2 3.55Å; L236-L275 HydrophobicContact CD1-CD2 4.25Å; L236-L278 HydrophobicContact CD1-CD2 4.09Å; L236-F300 HydrophobicContact CD1-CE1 4.18Å; L236-F300 HydrophobicContact CD1-CE2 4.25Å; L236-F300 HydrophobicContact CD1-CZ 3.6Å
237	V	98.3	Very high	97.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58	-50.4	172.2	169.8	0	0	0	0	109.8	L233 T235 L239 F240 S241 L244 F262 V264 F267 L275	L233-V237 HydrophobicContact CD1-CG2 4.36Å; L233-V237 HydrophobicContact CG-CG2 4.5Å; L233-V237 VanDerWaalsContact O-CG2 3.25Å; L233-V237 WeakPolarHBondContact O-CG2 2.9Å; L233-V237 PolarHBondContact O-N 3.06Å; T235-V237 PolarHBondContact O-N 3.08Å; V237-L239 PolarHBondContact O-N 2.83Å; V237-F240 PolarHBondContact O-N 3.27Å; V237-S241 WeakPolarHBondContact O-CB 3.14Å; V237-S241 PolarHBondContact O-N 3Å; V237-S241 PolarHBondContact O-OG 3.38Å; V237-L244 HydrophobicContact CB-CD2 4.21Å; V237-L244 HydrophobicContact CG1-CD2 3.98Å; V237-F262 HydrophobicContact CG1-CZ 4.25Å; V237-F262 HydrophobicContact CG2-CZ 4.17Å; V237-V264 HydrophobicContact CG2-CG2 4.19Å; V237-F267 HydrophobicContact CG1-CD1 3.79Å; V237-F267 HydrophobicContact CG1-CE1 3.74Å; V237-L275 HydrophobicContact CG2-CD1 4.09Å
238	E	98	Very high	97.3	Very high	24 Å²	24	20.3 Å²	20.3	11%	0.112	12%	0.123	C	C	.	.	H	α-helix	trans	-61.9	-43.1	178.6	-172.8	177.4	-125.3	0	0	112.3	L124 P163 Y212 Y234 T235 F240 G242 L244	L124-E238 HydrophobicContact CD2-CG 4.21Å; P163-E238 WeakPolarHBondContact CG-OE2 3.24Å; Y212-E238 WeakPolarHBondContact CE1-OE2 3.47Å; Y212-E238 VanDerWaalsContact OH-CD 3.32Å; Y212-E238 PolarHBondContact OH-OE1 3.18Å; Y212-E238 PolarHBondContact OH-OE2 2.95Å; Y234-E238 PolarHBondContact O-N 3.39Å; Y234-E238 VanDerWaalsContact O-N 3.09Å; T235-E238 PolarHBondContact O-N 3.44Å; E238-F240 PolarHBondContact O-N 3.36Å; E238-G242 CarbonylContact O-C 3.35Å; E238-G242 WeakPolarHBondContact O-CA 3.44Å; E238-G242 PolarHBondContact O-N 3.07Å; E238-L244 HydrophobicContact CB-CD2 4.47Å; E238-L244 HydrophobicContact CB-CG 4.14Å
239	L	98.1	Very high	97.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58.9	-37.1	178.1	-67.9	-175	0	0	0	112	L120 L124 R131 Y132 T137 I140 P163 T235 L236 V237	L120-L239 HydrophobicContact CB-CD2 4.32Å; L120-L239 HydrophobicContact CD1-CD1 3.98Å; L124-L239 HydrophobicContact CD1-CD2 4.26Å; L124-L239 HydrophobicContact CD2-CD2 4.44Å; R131-L239 WeakPolarHBondContact CA-O 3.39Å; Y132-L239 HydrophobicContact CD2-CB 4.11Å; Y132-L239 HydrophobicContact CD2-CD2 4.11Å; Y132-L239 HydrophobicContact CE2-CD2 3.92Å; Y132-L239 PolarHBondContact N-O 3.12Å; T137-L239 HydrophobicContact CG2-CB 4.35Å; I140-L239 HydrophobicContact CG2-CD1 3.7Å; P163-L239 HydrophobicContact CB-CD2 4.21Å; P163-L239 HydrophobicContact CG-CD2 4.13Å; T235-L239 HydrophobicContact CG2-CD1 4.26Å; T235-L239 HydrophobicContact CG2-CG 4.48Å; T235-L239 VanDerWaalsContact O-CG 3.31Å; T235-L239 WeakPolarHBondContact O-CG 3.19Å; T235-L239 PolarHBondContact O-N 2.54Å; L236-L239 HydrophobicContact CD2-CD1 4.29Å; L236-L239 PolarHBondContact O-N 3.5Å; V237-L239 PolarHBondContact O-N 2.83Å
240	F	97.9	Very high	96.5	Very high	13 Å²	13	30.3 Å²	30.3	6%	0.057	18%	0.182	C	C	.	.	H	α-helix	trans	-82.5	-44.3	180	173.1	-109.9	0	0	0	114.4	R131 Q134 T137 L236 V237 E238 I268 K271 F272 L275	R131-F240 WeakPolarHBondContact CB-O 3.28Å; Q134-F240 HydrophobicContact CG-CD2 4.38Å; Q134-F240 HydrophobicContact CG-CE2 3.62Å; Q134-F240 HydrophobicContact CG-CZ 4.45Å; T137-F240 HydrophobicContact CG2-CB 4.15Å; L236-F240 WeakPolarHBondContact O-CB 3.39Å; L236-F240 PolarHBondContact O-N 2.98Å; V237-F240 PolarHBondContact O-N 3.27Å; E238-F240 PolarHBondContact O-N 3.36Å; F240-I268 HydrophobicContact CD1-CG2 4Å; F240-I268 HydrophobicContact CE1-CB 4.01Å; F240-I268 HydrophobicContact CE1-CD1 4.33Å; F240-I268 HydrophobicContact CE1-CG2 3.99Å; F240-K271 HydrophobicContact CE1-CB 4.31Å; F240-K271 HydrophobicContact CZ-CB 3.94Å; F240-F272 HydrophobicContact CB-CD1 4.12Å; F240-F272 HydrophobicContact CB-CE1 4.49Å; F240-F272 HydrophobicContact CD1-CB 4.17Å; F240-F272 HydrophobicContact CD1-CD1 4.13Å; F240-F272 HydrophobicContact CD2-CB 4.33Å; F240-F272 AromaticContact CD2-CD1 3.72Å; F240-F272 HydrophobicContact CD2-CD1 3.72Å; F240-F272 HydrophobicContact CD2-CE1 4.37Å; F240-F272 HydrophobicContact CD2-CG 4.22Å; F240-F272 HydrophobicContact CE1-CB 3.8Å; F240-F272 HydrophobicContact CE2-CB 3.98Å; F240-F272 HydrophobicContact CE2-CD1 4.18Å; F240-F272 HydrophobicContact CE2-CG 4.22Å; F240-F272 HydrophobicContact CG-CB 4.42Å; F240-F272 AromaticContact CG-CD1 3.69Å; F240-F272 HydrophobicContact CG-CD1 3.69Å; F240-F272 HydrophobicContact CG-CE1 4.44Å; F240-F272 HydrophobicContact CG-CG 4.44Å; F240-F272 HydrophobicContact CZ-CB 3.7Å; F240-F272 HydrophobicContact CZ-CG 4.42Å; F240-L275 HydrophobicContact CB-CD1 4.25Å; F240-L275 HydrophobicContact CD1-CD1 4.17Å; F240-L275 HydrophobicContact CG-CD1 4.4Å
241	S	96.3	Very high	96.1	Very high	33 Å²	33	31.1 Å²	31.1	23%	0.231	19%	0.194	C	C	.	.	H	α-helix	trans	-91.1	-16.8	-174.7	64.7	0	0	0	0	113.2	V237 S243	V237-S241 WeakPolarHBondContact O-CB 3.14Å; V237-S241 PolarHBondContact O-N 3Å; V237-S241 PolarHBondContact O-OG 3.38Å; S241-S243 VanDerWaalsContact C-N 3.26Å; S241-S243 PolarHBondContact O-N 3.43Å; S241-S243 PolarHBondContact OG-N 3.17Å; S241-S243 PolarHBondContact OG-O 3.43Å
242	G	95.9	Very high	95.7	Very high	18 Å²	18	33.2 Å²	33.2	19%	0.186	21%	0.211	C	C	.	.	S	Bend	trans	78.1	-1.8	-172.3	0	0	0	0	0	115.6	R130 E238	R130-G242 WeakPolarHBondContact O-CA 3.32Å; E238-G242 CarbonylContact O-C 3.35Å; E238-G242 WeakPolarHBondContact O-CA 3.44Å; E238-G242 PolarHBondContact O-N 3.07Å
243	S	95.6	Very high	95.5	Very high	52 Å²	52	44 Å²	44	36%	0.364	25%	0.252	S	S	.	.	S	Bend	trans	-162.9	155.7	175.6	58.6	0	0	0	0	112.6	S241 F267	S241-S243 VanDerWaalsContact C-N 3.26Å; S241-S243 PolarHBondContact O-N 3.43Å; S241-S243 PolarHBondContact OG-N 3.17Å; S241-S243 PolarHBondContact OG-O 3.43Å; S243-F267 WeakPolarHBondContact O-CE1 3.46Å; S243-F267 WeakPolarHBondContact O-CZ 3.37Å
244	L	97	Very high	95.3	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.021	27%	0.269	C	S	.	.			trans	-88.8	152.9	166.1	-68.7	168.2	0	0	0	110.3	Q211 Y212 Y234 V237 E238 W246 S247	Q211-L244 HydrophobicContact CB-CD1 4.45Å; Y212-L244 HydrophobicContact CD1-CD1 4.05Å; Y212-L244 HydrophobicContact CE1-CD1 3.97Å; Y234-L244 WeakPolarHBondContact O-CD2 3.04Å; V237-L244 HydrophobicContact CB-CD2 4.21Å; V237-L244 HydrophobicContact CG1-CD2 3.98Å; E238-L244 HydrophobicContact CB-CD2 4.47Å; E238-L244 HydrophobicContact CB-CG 4.14Å; L244-W246 HydrophobicContact CB-CD2 4.27Å; L244-W246 HydrophobicContact CB-CG 4.47Å; L244-W246 HydrophobicContact CB-CZ2 4.25Å; L244-W246 HydrophobicContact CD1-CZ2 3.99Å; L244-W246 HydrophobicContact CD2-CH2 4.31Å; L244-W246 HydrophobicContact CD2-CZ2 3.88Å; L244-W246 HydrophobicContact CG-CZ2 4.27Å; L244-W246 PolarHBondContact O-N 2.79Å; L244-S247 PolarHBondContact N-OG 2.9Å; L244-S247 WeakPolarHBondContact O-CB 3.49Å; L244-S247 PolarHBondContact O-N 3.38Å; L244-S247 PolarHBondContact O-OG 2.98Å
245	P	96.3	Very high	95.2	Very high	49 Å²	49	45.7 Å²	45.7	32%	0.318	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-24.2	175.7	-21.1	28	0	0	0	114	F262 F267	P245-F262 HydrophobicContact CG-CD2 3.53Å; P245-F262 HydrophobicContact CG-CE2 3.69Å; P245-F267 HydrophobicContact CB-CD2 4.48Å; P245-F267 HydrophobicContact CB-CE2 4.32Å; P245-F267 HydrophobicContact CG-CD1 4.25Å; P245-F267 HydrophobicContact CG-CD2 3.76Å; P245-F267 HydrophobicContact CG-CE1 4.27Å; P245-F267 HydrophobicContact CG-CE2 3.79Å; P245-F267 HydrophobicContact CG-CG 4Å; P245-F267 HydrophobicContact CG-CZ 4.05Å
246	W	97.2	Very high	95.1	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	12.1	179.2	54.5	80.6	0	0	0	114.2	Q211 Y234 L244 N248 L249 I255 C258 K259 F262	Q211-W246 PolarHBondContact NE2-O 2.73Å; Q211-W246 PolarHBondContact O-NE1 3.43Å; Y234-W246 AromaticContact CD1-CH2 3.56Å; Y234-W246 HydrophobicContact CD1-CH2 3.56Å; Y234-W246 AromaticContact CD1-CZ2 3.68Å; Y234-W246 HydrophobicContact CD1-CZ2 3.68Å; Y234-W246 HydrophobicContact CD2-CZ2 4.33Å; Y234-W246 AromaticContact CE1-CH2 3.49Å; Y234-W246 HydrophobicContact CE1-CH2 3.49Å; Y234-W246 VanDerWaalsContact CE1-CH2 3.49Å; Y234-W246 AromaticContact CE1-CZ2 3.92Å; Y234-W246 HydrophobicContact CE1-CZ2 3.92Å; Y234-W246 HydrophobicContact CG-CH2 4.27Å; Y234-W246 AromaticContact CG-CZ2 3.91Å; Y234-W246 HydrophobicContact CG-CZ2 3.91Å; L244-W246 HydrophobicContact CB-CD2 4.27Å; L244-W246 HydrophobicContact CB-CG 4.47Å; L244-W246 HydrophobicContact CB-CZ2 4.25Å; L244-W246 HydrophobicContact CD1-CZ2 3.99Å; L244-W246 HydrophobicContact CD2-CH2 4.31Å; L244-W246 HydrophobicContact CD2-CZ2 3.88Å; L244-W246 HydrophobicContact CG-CZ2 4.27Å; L244-W246 PolarHBondContact O-N 2.79Å; W246-N248 PolarHBondContact O-N 3.19Å; W246-L249 HydrophobicContact CB-CB 4.4Å; W246-L249 HydrophobicContact CB-CD1 3.74Å; W246-L249 HydrophobicContact CB-CG 4.19Å; W246-L249 WeakPolarHBondContact O-CB 3.35Å; W246-L249 PolarHBondContact O-N 2.94Å; W246-I255 HydrophobicContact CB-CG1 4.3Å; W246-I255 HydrophobicContact CB-CG2 4.38Å; W246-I255 HydrophobicContact CG-CG2 3.94Å; W246-C258 HydrophobicContact CB-CB 3.98Å; W246-C258 HydrophobicContact CE3-CB 4.08Å; W246-K259 HydrophobicContact CD2-CG 3.88Å; W246-K259 HydrophobicContact CE3-CG 3.82Å; W246-K259 HydrophobicContact CH2-CG 3.64Å; W246-K259 HydrophobicContact CZ2-CD 4.19Å; W246-K259 HydrophobicContact CZ2-CG 3.68Å; W246-K259 HydrophobicContact CZ3-CB 4.4Å; W246-K259 HydrophobicContact CZ3-CG 3.7Å; W246-F262 HydrophobicContact CH2-CB 4.47Å; W246-F262 HydrophobicContact CH2-CD1 4.06Å; W246-F262 HydrophobicContact CH2-CE1 4.44Å; W246-F262 HydrophobicContact CH2-CG 4.12Å; W246-F262 HydrophobicContact CZ3-CB 3.75Å; W246-F262 HydrophobicContact CZ3-CD1 4.12Å; W246-F262 HydrophobicContact CZ3-CD2 4.09Å; W246-F262 AromaticContact CZ3-CG 3.71Å; W246-F262 HydrophobicContact CZ3-CG 3.71Å
247	S	94.7	Very high	95	Very high	38 Å²	38	51.5 Å²	51.5	27%	0.266	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-34.8	-179.4	-72.4	0	0	0	0	113.1	L244	L244-S247 PolarHBondContact N-OG 2.9Å; L244-S247 WeakPolarHBondContact O-CB 3.49Å; L244-S247 PolarHBondContact O-N 3.38Å; L244-S247 PolarHBondContact O-OG 2.98Å
248	N	93.8	Very high	94.9	Very high	161 Å²	161	53.1 Å²	53.1	86%	0.861	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-0.1	179.8	-65.6	-29.6	0	0	0	113.8	W246	W246-N248 PolarHBondContact O-N 3.19Å
249	L	94.9	Very high	94.9	Very high	66 Å²	66	52.2 Å²	52.2	35%	0.346	30%	0.303	S	S	.	.			trans	-88.1	126.9	-179.3	-59.8	-177.6	0	0	0	110.9	W246 A254 I255 C258	W246-L249 HydrophobicContact CB-CB 4.4Å; W246-L249 HydrophobicContact CB-CD1 3.74Å; W246-L249 HydrophobicContact CB-CG 4.19Å; W246-L249 WeakPolarHBondContact O-CB 3.35Å; W246-L249 PolarHBondContact O-N 2.94Å; L249-A254 HydrophobicContact CD1-CB 4.24Å; L249-I255 HydrophobicContact CB-CG1 3.94Å; L249-C258 HydrophobicContact CD1-CB 4Å
250	T	84.1	Confident	94.7	Very high	145 Å²	145	58.1 Å²	58.1	89%	0.89	33%	0.325	S	S	*	.			trans	-103	95.7	172.6	57.7	0	0	0	0	109.3
251	G	88.8	Confident	94.6	Very high	32 Å²	32	63 Å²	63	33%	0.33	35%	0.352	S	S	.	.	S	Bend	trans	148.4	132.2	172.2	0	0	0	0	0	113.9	R253 A254 I255	G251-R253 VanDerWaalsContact C-N 3.33Å; G251-R253 PolarHBondContact O-N 2.87Å; G251-A254 PolarHBondContact O-N 3.48Å; G251-I255 WeakPolarHBondContact O-CG1 3.22Å; G251-I255 PolarHBondContact O-N 3.04Å
252	A	90.8	Very high	94.6	Very high	47 Å²	47	62.6 Å²	62.6	39%	0.388	35%	0.346	S	S	.	.	H	α-helix	trans	-55.8	-44.1	-175.8	0	0	0	0	0	112.4	L210 Q218 A254 I255 L256	L210-A252 HydrophobicContact CD2-CB 4.09Å; Q218-A252 PolarHBondContact NE2-O 3.05Å; A252-A254 PolarHBondContact O-N 2.95Å; A252-I255 PolarHBondContact O-N 2.9Å; A252-L256 WeakPolarHBondContact O-CB 3.2Å; A252-L256 PolarHBondContact O-N 2.93Å
253	R	93	Very high	94.7	Very high	227 Å²	227	64 Å²	64	86%	0.857	35%	0.351	S	S	*	.	H	α-helix	trans	-63.9	-41.9	-178.4	-172.1	175	179.8	153.5	-0.8	113	G251 L256 Q257	G251-R253 VanDerWaalsContact C-N 3.33Å; G251-R253 PolarHBondContact O-N 2.87Å; R253-L256 PolarHBondContact O-N 3.21Å; R253-Q257 PolarHBondContact O-N 2.85Å; R253-Q257 VanDerWaalsContact O-N 3.08Å
254	A	95.4	Very high	94.8	Very high	47 Å²	47	61.5 Å²	61.5	39%	0.388	33%	0.334	S	S	.	.	H	α-helix	trans	-67.5	-45.2	-179.9	0	0	0	0	0	111.5	L249 G251 A252 L256 Q257 C258	L249-A254 HydrophobicContact CD1-CB 4.24Å; G251-A254 PolarHBondContact O-N 3.48Å; A252-A254 PolarHBondContact O-N 2.95Å; A254-L256 VanDerWaalsContact C-N 3.34Å; A254-L256 PolarHBondContact O-N 2.73Å; A254-Q257 PolarHBondContact O-N 2.85Å; A254-C258 PolarHBondContact O-N 2.93Å
255	I	96.3	Very high	94.6	Very high	3 Å²	3	64.5 Å²	64.5	2%	0.015	35%	0.349	C	S	.	.	H	α-helix	trans	-59.3	-45.6	175.2	-66.5	168.4	0	0	0	110.6	L210 W246 L249 G251 A252 Q257 C258 K259	L210-I255 HydrophobicContact CB-CD1 4.12Å; W246-I255 HydrophobicContact CB-CG1 4.3Å; W246-I255 HydrophobicContact CB-CG2 4.38Å; W246-I255 HydrophobicContact CG-CG2 3.94Å; L249-I255 HydrophobicContact CB-CG1 3.94Å; G251-I255 WeakPolarHBondContact O-CG1 3.22Å; G251-I255 PolarHBondContact O-N 3.04Å; A252-I255 PolarHBondContact O-N 2.9Å; I255-Q257 VanDerWaalsContact C-N 3.33Å; I255-Q257 PolarHBondContact O-N 2.9Å; I255-C258 PolarHBondContact O-N 3.19Å; I255-K259 HydrophobicContact CG2-CD 4.06Å; I255-K259 HydrophobicContact CG2-CG 4.44Å; I255-K259 WeakPolarHBondContact O-CG 3.08Å; I255-K259 PolarHBondContact O-N 2.59Å
256	L	95.6	Very high	94.5	Very high	27 Å²	27	68.1 Å²	68.1	14%	0.141	37%	0.366	C	S	.	.	H	α-helix	trans	-60.4	-42.5	179.3	-177.4	59.1	0	0	0	112.1	I215 Q218 M219 A252 R253 A254 C258 K259 R260	I215-L256 HydrophobicContact CB-CD1 4.43Å; I215-L256 HydrophobicContact CG1-CD1 4.37Å; I215-L256 HydrophobicContact CG2-CD1 3.98Å; Q218-L256 HydrophobicContact CB-CD1 4.25Å; Q218-L256 HydrophobicContact CG-CB 4.4Å; Q218-L256 HydrophobicContact CG-CD1 4.17Å; M219-L256 HydrophobicContact CG-CD2 4.33Å; A252-L256 WeakPolarHBondContact O-CB 3.2Å; A252-L256 PolarHBondContact O-N 2.93Å; R253-L256 PolarHBondContact O-N 3.21Å; A254-L256 VanDerWaalsContact C-N 3.34Å; A254-L256 PolarHBondContact O-N 2.73Å; L256-C258 VanDerWaalsContact C-N 3.35Å; L256-K259 PolarHBondContact O-N 2.92Å; L256-R260 WeakPolarHBondContact O-CG 3.34Å; L256-R260 PolarHBondContact O-N 2.73Å
257	Q	96.4	Very high	94.5	Very high	95 Å²	95	71.5 Å²	71.5	44%	0.444	38%	0.381	S	S	.	.	H	α-helix	trans	-66.4	-39.7	179.1	-173.7	57.7	45.3	0	0	111.5	R253 A254 I255 R260 N261	R253-Q257 PolarHBondContact O-N 2.85Å; R253-Q257 VanDerWaalsContact O-N 3.08Å; A254-Q257 PolarHBondContact O-N 2.85Å; I255-Q257 VanDerWaalsContact C-N 3.33Å; I255-Q257 PolarHBondContact O-N 2.9Å; Q257-R260 PolarHBondContact O-N 2.62Å; Q257-N261 PolarHBondContact NE2-ND2 3.43Å; Q257-N261 PolarHBondContact O-N 3.26Å
258	C	96.9	Very high	94.5	Very high	35 Å²	35	70.1 Å²	70.1	24%	0.236	37%	0.371	C	S	.	.	H	α-helix	trans	-63.6	-45.6	175.3	-164.2	0	0	0	0	111.2	W246 L249 A254 I255 L256 R260 N261 F262	W246-C258 HydrophobicContact CB-CB 3.98Å; W246-C258 HydrophobicContact CE3-CB 4.08Å; L249-C258 HydrophobicContact CD1-CB 4Å; A254-C258 PolarHBondContact O-N 2.93Å; I255-C258 PolarHBondContact O-N 3.19Å; L256-C258 VanDerWaalsContact C-N 3.35Å; C258-R260 VanDerWaalsContact C-N 3.34Å; C258-R260 PolarHBondContact O-N 2.68Å; C258-N261 PolarHBondContact O-N 3.43Å; C258-N261 VanDerWaalsContact O-N 3.15Å; C258-F262 WeakPolarHBondContact O-CB 3.1Å; C258-F262 PolarHBondContact O-N 2.9Å
259	K	97.2	Very high	94.5	Very high	4 Å²	4	72.4 Å²	72.4	2%	0.017	37%	0.367	C	S	.	.	H	α-helix	trans	-57.1	-41.4	175.4	-76.6	178.9	172.9	-179.6	0	113.4	L210 Q211 S213 I215 Y234 W246 I255 L256 N261 F262	L210-K259 PolarHBondContact O-NZ 2.84Å; Q211-K259 VanDerWaalsContact O-CE 3.27Å; Q211-K259 WeakPolarHBondContact O-CE 3.4Å; Q211-K259 PolarHBondContact O-NZ 3.28Å; S213-K259 PolarHBondContact O-NZ 2.94Å; I215-K259 HydrophobicContact CD1-CB 4.26Å; I215-K259 HydrophobicContact CG1-CB 3.98Å; Y234-K259 HydrophobicContact CE2-CD 4.3Å; W246-K259 HydrophobicContact CD2-CG 3.88Å; W246-K259 HydrophobicContact CE3-CG 3.82Å; W246-K259 HydrophobicContact CH2-CG 3.64Å; W246-K259 HydrophobicContact CZ2-CD 4.19Å; W246-K259 HydrophobicContact CZ2-CG 3.68Å; W246-K259 HydrophobicContact CZ3-CB 4.4Å; W246-K259 HydrophobicContact CZ3-CG 3.7Å; I255-K259 HydrophobicContact CG2-CD 4.06Å; I255-K259 HydrophobicContact CG2-CG 4.44Å; I255-K259 WeakPolarHBondContact O-CG 3.08Å; I255-K259 PolarHBondContact O-N 2.59Å; L256-K259 PolarHBondContact O-N 2.92Å; K259-N261 PolarHBondContact O-N 3.49Å; K259-F262 PolarHBondContact O-N 2.88Å
260	R	95.8	Very high	94.3	Very high	124 Å²	124	71.5 Å²	71.5	47%	0.468	37%	0.374	S	S	.	.	H	α-helix	trans	-64.8	-27.5	178.9	-76.8	175.1	174.8	175.7	-2.9	114	I215 M219 L256 Q257 C258	I215-R260 HydrophobicContact CD1-CG 4.14Å; M219-R260 PolarHBondContact SD-NH2 2.8Å; M219-R260 VanDerWaalsContact SD-NH2 3.44Å; L256-R260 WeakPolarHBondContact O-CG 3.34Å; L256-R260 PolarHBondContact O-N 2.73Å; Q257-R260 PolarHBondContact O-N 2.62Å; C258-R260 VanDerWaalsContact C-N 3.34Å; C258-R260 PolarHBondContact O-N 2.68Å
261	N	95.5	Very high	94.8	Very high	116 Å²	116	70.9 Å²	70.9	62%	0.62	36%	0.359	S	S	*	.	H	α-helix	trans	-101.2	-3.1	-178.3	-66.8	-14	0	0	0	112.5	Q257 C258 K259	Q257-N261 PolarHBondContact NE2-ND2 3.43Å; Q257-N261 PolarHBondContact O-N 3.26Å; C258-N261 PolarHBondContact O-N 3.43Å; C258-N261 VanDerWaalsContact O-N 3.15Å; K259-N261 PolarHBondContact O-N 3.49Å
262	F	96.3	Very high	95.1	Very high	24 Å²	24	69.3 Å²	69.3	11%	0.105	34%	0.343	C	S	.	.			trans	-75.7	136.8	-178.9	169.6	-108.2	0	0	0	110.6	Y234 V237 P245 W246 C258 K259 V264 F267	Y234-F262 HydrophobicContact CD1-CE1 4.26Å; Y234-F262 AromaticContact CE1-CD1 4Å; Y234-F262 HydrophobicContact CE1-CD1 4Å; Y234-F262 HydrophobicContact CE1-CE1 4.03Å; V237-F262 HydrophobicContact CG1-CZ 4.25Å; V237-F262 HydrophobicContact CG2-CZ 4.17Å; P245-F262 HydrophobicContact CG-CD2 3.53Å; P245-F262 HydrophobicContact CG-CE2 3.69Å; W246-F262 HydrophobicContact CH2-CB 4.47Å; W246-F262 HydrophobicContact CH2-CD1 4.06Å; W246-F262 HydrophobicContact CH2-CE1 4.44Å; W246-F262 HydrophobicContact CH2-CG 4.12Å; W246-F262 HydrophobicContact CZ3-CB 3.75Å; W246-F262 HydrophobicContact CZ3-CD1 4.12Å; W246-F262 HydrophobicContact CZ3-CD2 4.09Å; W246-F262 AromaticContact CZ3-CG 3.71Å; W246-F262 HydrophobicContact CZ3-CG 3.71Å; C258-F262 WeakPolarHBondContact O-CB 3.1Å; C258-F262 PolarHBondContact O-N 2.9Å; K259-F262 PolarHBondContact O-N 2.88Å; F262-V264 HydrophobicContact CE1-CG2 3.98Å; F262-V264 HydrophobicContact CZ-CG2 3.92Å; F262-F267 HydrophobicContact CD2-CB 4.31Å; F262-F267 HydrophobicContact CE2-CB 3.66Å; F262-F267 AromaticContact CE2-CD1 4Å; F262-F267 HydrophobicContact CE2-CD1 4Å; F262-F267 AromaticContact CE2-CG 3.96Å; F262-F267 HydrophobicContact CE2-CG 3.96Å
263	T	96.7	Very high	95.4	Very high	48 Å²	48	71.3 Å²	71.3	29%	0.294	34%	0.344	S	S	.	.			trans	-132.2	144.3	159.7	64.7	0	0	0	0	108.9	D265 N266 F267 E279	T263-D265 PolarHBondContact O-N 3.19Å; T263-N266 PolarHBondContact O-N 3Å; T263-N266 VanDerWaalsContact OG1-CB 3.24Å; T263-N266 WeakPolarHBondContact OG1-CB 3.43Å; T263-N266 PolarHBondContact OG1-N 3.44Å; T263-N266 PolarHBondContact OG1-ND2 3.43Å; T263-F267 PolarHBondContact O-N 3.25Å; T263-E279 WeakPolarHBondContact CA-OE1 3.15Å
264	V	97.3	Very high	95.7	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58.2	-51.3	179.1	171.1	0	0	0	0	109.9	L233 V237 F262 N266 F267 I268 L275 E279	L233-V264 HydrophobicContact CD1-CG2 3.93Å; L233-V264 HydrophobicContact CD2-CG2 4.24Å; L233-V264 HydrophobicContact CG-CG2 4.36Å; V237-V264 HydrophobicContact CG2-CG2 4.19Å; F262-V264 HydrophobicContact CE1-CG2 3.98Å; F262-V264 HydrophobicContact CZ-CG2 3.92Å; V264-N266 VanDerWaalsContact C-N 3.31Å; V264-N266 PolarHBondContact O-N 3.35Å; V264-F267 PolarHBondContact O-N 2.97Å; V264-I268 HydrophobicContact CG1-CD1 3.5Å; V264-I268 VanDerWaalsContact CG1-CD1 3.5Å; V264-I268 HydrophobicContact CG1-CG1 3.75Å; V264-I268 WeakPolarHBondContact O-CG1 3.41Å; V264-I268 PolarHBondContact O-N 3.48Å; V264-L275 HydrophobicContact CG1-CB 3.66Å; V264-E279 HydrophobicContact CB-CB 4.37Å; V264-E279 WeakPolarHBondContact CB-OE2 3.46Å; V264-E279 HydrophobicContact CG2-CB 3.84Å; V264-E279 HydrophobicContact CG2-CG 4.23Å; V264-E279 VanDerWaalsContact N-CD 3.35Å; V264-E279 PolarHBondContact N-OE1 3.43Å; V264-E279 PolarHBondContact N-OE2 3.41Å; V264-E279 VanDerWaalsContact N-OE2 3.13Å
265	D	94.2	Very high	95.8	Very high	66 Å²	66	58.3 Å²	58.3	35%	0.353	29%	0.285	S	S	.	.	H	α-helix	trans	-58.1	-39.3	-176.4	-77.7	-32	0	0	0	113.3	T263 F267 R269 S276	T263-D265 PolarHBondContact O-N 3.19Å; D265-F267 VanDerWaalsContact C-N 3.29Å; D265-F267 PolarHBondContact O-N 3.14Å; D265-R269 WeakPolarHBondContact O-CA 3.41Å; D265-R269 PolarHBondContact O-N 3.39Å; D265-S276 VanDerWaalsContact OD1-CB 3.3Å; D265-S276 WeakPolarHBondContact OD1-CB 3.25Å; D265-S276 PolarHBondContact OD1-OG 2.89Å
266	N	93.9	Very high	95.9	Very high	126 Å²	126	58.7 Å²	58.7	67%	0.674	29%	0.288	S	S	*	.	H	α-helix	trans	-67.3	-33.4	177.4	-74.8	-15.1	0	0	0	112	T263 V264	T263-N266 PolarHBondContact O-N 3Å; T263-N266 VanDerWaalsContact OG1-CB 3.24Å; T263-N266 WeakPolarHBondContact OG1-CB 3.43Å; T263-N266 PolarHBondContact OG1-N 3.44Å; T263-N266 PolarHBondContact OG1-ND2 3.43Å; V264-N266 VanDerWaalsContact C-N 3.31Å; V264-N266 PolarHBondContact O-N 3.35Å
267	F	96.3	Very high	96	Very high	71 Å²	71	60.2 Å²	60.2	31%	0.311	29%	0.294	S	S	.	.	H	α-helix	trans	-82	-47.7	-176.2	-174.4	-122.1	0	0	0	112.5	V237 S243 P245 F262 T263 V264 D265	V237-F267 HydrophobicContact CG1-CD1 3.79Å; V237-F267 HydrophobicContact CG1-CE1 3.74Å; S243-F267 WeakPolarHBondContact O-CE1 3.46Å; S243-F267 WeakPolarHBondContact O-CZ 3.37Å; P245-F267 HydrophobicContact CB-CD2 4.48Å; P245-F267 HydrophobicContact CB-CE2 4.32Å; P245-F267 HydrophobicContact CG-CD1 4.25Å; P245-F267 HydrophobicContact CG-CD2 3.76Å; P245-F267 HydrophobicContact CG-CE1 4.27Å; P245-F267 HydrophobicContact CG-CE2 3.79Å; P245-F267 HydrophobicContact CG-CG 4Å; P245-F267 HydrophobicContact CG-CZ 4.05Å; F262-F267 HydrophobicContact CD2-CB 4.31Å; F262-F267 HydrophobicContact CE2-CB 3.66Å; F262-F267 AromaticContact CE2-CD1 4Å; F262-F267 HydrophobicContact CE2-CD1 4Å; F262-F267 AromaticContact CE2-CG 3.96Å; F262-F267 HydrophobicContact CE2-CG 3.96Å; T263-F267 PolarHBondContact O-N 3.25Å; V264-F267 PolarHBondContact O-N 2.97Å; D265-F267 VanDerWaalsContact C-N 3.29Å; D265-F267 PolarHBondContact O-N 3.14Å
268	I	94.5	Very high	96.1	Very high	9 Å²	9	55.7 Å²	55.7	5%	0.046	27%	0.273	C	S	.	.	H	α-helix	trans	-96.4	-6.1	-177	71.7	169.5	0	0	0	113.8	F240 V264 G270 K271 F272 L275	F240-I268 HydrophobicContact CD1-CG2 4Å; F240-I268 HydrophobicContact CE1-CB 4.01Å; F240-I268 HydrophobicContact CE1-CD1 4.33Å; F240-I268 HydrophobicContact CE1-CG2 3.99Å; V264-I268 HydrophobicContact CG1-CD1 3.5Å; V264-I268 VanDerWaalsContact CG1-CD1 3.5Å; V264-I268 HydrophobicContact CG1-CG1 3.75Å; V264-I268 WeakPolarHBondContact O-CG1 3.41Å; V264-I268 PolarHBondContact O-N 3.48Å; I268-G270 PolarHBondContact O-N 3.38Å; I268-K271 VanDerWaalsContact O-CB 3.29Å; I268-K271 WeakPolarHBondContact O-CB 3.44Å; I268-K271 WeakPolarHBondContact O-CG 3.34Å; I268-K271 PolarHBondContact O-N 3.15Å; I268-F272 HydrophobicContact CD1-CB 3.86Å; I268-F272 WeakPolarHBondContact CD1-O 3.46Å; I268-L275 HydrophobicContact CD1-CB 4.19Å; I268-L275 HydrophobicContact CD1-CD1 4.1Å
269	R	94	Very high	96.1	Very high	208 Å²	208	55.2 Å²	55.2	79%	0.785	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	45.6	177.4	-55.5	-175.4	-176.1	-156.4	0.7	113.4	D265 K271	D265-R269 WeakPolarHBondContact O-CA 3.41Å; D265-R269 PolarHBondContact O-N 3.39Å; R269-K271 PolarHBondContact O-N 3.04Å; R269-K271 VanDerWaalsContact O-N 3.13Å
270	G	91.5	Very high	96.2	Very high	47 Å²	47	58.5 Å²	58.5	49%	0.485	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	8.7	178.3	0	0	0	0	0	115.3	I268 F272	I268-G270 PolarHBondContact O-N 3.38Å; G270-F272 PolarHBondContact O-N 3.1Å
271	K	93.8	Very high	96.3	Very high	132 Å²	132	54.8 Å²	54.8	57%	0.574	27%	0.27	S	S	*	.	S	Bend	trans	-66.6	-19.6	-178	-70.7	178.7	-179.4	-176.1	0	113.6	Q134 F240 I268 R269	Q134-K271 PolarHBondContact NE2-O 3.48Å; F240-K271 HydrophobicContact CE1-CB 4.31Å; F240-K271 HydrophobicContact CZ-CB 3.94Å; I268-K271 VanDerWaalsContact O-CB 3.29Å; I268-K271 WeakPolarHBondContact O-CB 3.44Å; I268-K271 WeakPolarHBondContact O-CG 3.34Å; I268-K271 PolarHBondContact O-N 3.15Å; R269-K271 PolarHBondContact O-N 3.04Å; R269-K271 VanDerWaalsContact O-N 3.13Å
272	F	96.5	Very high	96.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.242	C	C	.	.			trans	-144.1	86.5	-178.6	-168.1	-154.4	0	0	0	110.4	Q134 T137 T138 F240 I268 G270 P274 L275 F300 Y303	Q134-F272 HydrophobicContact CG-CD2 4.38Å; T137-F272 HydrophobicContact CG2-CE1 3.63Å; T137-F272 HydrophobicContact CG2-CZ 4.26Å; T138-F272 WeakPolarHBondContact OG1-CE2 3.46Å; T138-F272 WeakPolarHBondContact OG1-CZ 3.22Å; F240-F272 HydrophobicContact CB-CD1 4.12Å; F240-F272 HydrophobicContact CB-CE1 4.49Å; F240-F272 HydrophobicContact CD1-CB 4.17Å; F240-F272 HydrophobicContact CD1-CD1 4.13Å; F240-F272 HydrophobicContact CD2-CB 4.33Å; F240-F272 AromaticContact CD2-CD1 3.72Å; F240-F272 HydrophobicContact CD2-CD1 3.72Å; F240-F272 HydrophobicContact CD2-CE1 4.37Å; F240-F272 HydrophobicContact CD2-CG 4.22Å; F240-F272 HydrophobicContact CE1-CB 3.8Å; F240-F272 HydrophobicContact CE2-CB 3.98Å; F240-F272 HydrophobicContact CE2-CD1 4.18Å; F240-F272 HydrophobicContact CE2-CG 4.22Å; F240-F272 HydrophobicContact CG-CB 4.42Å; F240-F272 AromaticContact CG-CD1 3.69Å; F240-F272 HydrophobicContact CG-CD1 3.69Å; F240-F272 HydrophobicContact CG-CE1 4.44Å; F240-F272 HydrophobicContact CG-CG 4.44Å; F240-F272 HydrophobicContact CZ-CB 3.7Å; F240-F272 HydrophobicContact CZ-CG 4.42Å; I268-F272 HydrophobicContact CD1-CB 3.86Å; I268-F272 WeakPolarHBondContact CD1-O 3.46Å; G270-F272 PolarHBondContact O-N 3.1Å; F272-P274 VanDerWaalsContact C-CD 3.46Å; F272-P274 HydrophobicContact CD2-CG 4.19Å; F272-P274 HydrophobicContact CE2-CB 4.35Å; F272-P274 HydrophobicContact CE2-CG 3.84Å; F272-L275 HydrophobicContact CB-CD1 4.45Å; F272-L275 HydrophobicContact CD1-CD1 3.49Å; F272-L275 VanDerWaalsContact CD1-CD1 3.49Å; F272-L275 HydrophobicContact CD1-CD2 4.43Å; F272-L275 HydrophobicContact CD1-CG 3.54Å; F272-L275 HydrophobicContact CE1-CD1 4.12Å; F272-L275 HydrophobicContact CE1-CD2 4.33Å; F272-L275 HydrophobicContact CE1-CG 3.9Å; F272-L275 HydrophobicContact CG-CD1 4.35Å; F272-L275 HydrophobicContact CG-CG 4.27Å; F272-L275 PolarHBondContact O-N 2.86Å; F272-F300 HydrophobicContact CZ-CD1 4.31Å; F272-F300 HydrophobicContact CZ-CE1 4.17Å; F272-Y303 HydrophobicContact CD2-CD1 4.02Å; F272-Y303 AromaticContact CD2-CE1 3.52Å; F272-Y303 HydrophobicContact CD2-CE1 3.52Å; F272-Y303 HydrophobicContact CD2-CE2 4.49Å; F272-Y303 AromaticContact CD2-CZ 3.8Å; F272-Y303 AromaticContact CE2-CD1 3.59Å; F272-Y303 HydrophobicContact CE2-CD1 3.59Å; F272-Y303 AromaticContact CE2-CE1 3.51Å; F272-Y303 HydrophobicContact CE2-CE1 3.51Å; F272-Y303 HydrophobicContact CE2-CG 4.34Å
273	E	96.9	Very high	96.3	Very high	89 Å²	89	54.9 Å²	54.9	42%	0.416	26%	0.264	S	S	.	.	H	α-helix	trans	-50.9	-42.4	-173.7	175	-170.7	-174.3	0	0	114.9	L275 S276 Q277 Y303	E273-L275 PolarHBondContact O-N 3.11Å; E273-L275 VanDerWaalsContact O-N 3.16Å; E273-S276 WeakPolarHBondContact O-CB 3.09Å; E273-S276 PolarHBondContact O-N 2.87Å; E273-Q277 HydrophobicContact CG-CG 4.27Å; E273-Q277 PolarHBondContact O-N 2.87Å; E273-Y303 HydrophobicContact CB-CD2 4.37Å; E273-Y303 HydrophobicContact CB-CE2 4.17Å
274	P	98.2	Very high	96.2	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.4	-30.6	-179.7	-29.1	37.8	0	0	0	114.4	F272 Q277 L278 Y299 F300 Y303	F272-P274 VanDerWaalsContact C-CD 3.46Å; F272-P274 HydrophobicContact CD2-CG 4.19Å; F272-P274 HydrophobicContact CE2-CB 4.35Å; F272-P274 HydrophobicContact CE2-CG 3.84Å; P274-Q277 PolarHBondContact O-N 3.03Å; P274-L278 WeakPolarHBondContact O-CB 3.42Å; P274-L278 PolarHBondContact O-N 3.2Å; P274-Y299 WeakPolarHBondContact CG-O 3.18Å; P274-F300 HydrophobicContact CB-CD1 3.62Å; P274-F300 HydrophobicContact CB-CE1 3.54Å; P274-F300 HydrophobicContact CB-CG 4.22Å; P274-F300 HydrophobicContact CB-CZ 4.06Å; P274-F300 HydrophobicContact CG-CD1 4.37Å; P274-Y303 HydrophobicContact CG-CD1 4.06Å; P274-Y303 HydrophobicContact CG-CD2 3.72Å; P274-Y303 HydrophobicContact CG-CG 3.44Å; P274-Y303 VanDerWaalsContact CG-CG 3.44Å
275	L	98.2	Very high	96.1	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-67.8	-38.2	175.4	-66	-177.5	0	0	0	111.7	L236 V237 F240 V264 I268 F272 E273 L278 E279 F300	L236-L275 HydrophobicContact CB-CD2 3.55Å; L236-L275 HydrophobicContact CD1-CD2 4.25Å; V237-L275 HydrophobicContact CG2-CD1 4.09Å; F240-L275 HydrophobicContact CB-CD1 4.25Å; F240-L275 HydrophobicContact CD1-CD1 4.17Å; F240-L275 HydrophobicContact CG-CD1 4.4Å; V264-L275 HydrophobicContact CG1-CB 3.66Å; I268-L275 HydrophobicContact CD1-CB 4.19Å; I268-L275 HydrophobicContact CD1-CD1 4.1Å; F272-L275 HydrophobicContact CB-CD1 4.45Å; F272-L275 HydrophobicContact CD1-CD1 3.49Å; F272-L275 VanDerWaalsContact CD1-CD1 3.49Å; F272-L275 HydrophobicContact CD1-CD2 4.43Å; F272-L275 HydrophobicContact CD1-CG 3.54Å; F272-L275 HydrophobicContact CE1-CD1 4.12Å; F272-L275 HydrophobicContact CE1-CD2 4.33Å; F272-L275 HydrophobicContact CE1-CG 3.9Å; F272-L275 HydrophobicContact CG-CD1 4.35Å; F272-L275 HydrophobicContact CG-CG 4.27Å; F272-L275 PolarHBondContact O-N 2.86Å; E273-L275 PolarHBondContact O-N 3.11Å; E273-L275 VanDerWaalsContact O-N 3.16Å; L275-L278 PolarHBondContact O-N 3.49Å; L275-E279 WeakPolarHBondContact O-CB 3.33Å; L275-E279 PolarHBondContact O-N 3.23Å; L275-F300 HydrophobicContact CD2-CE1 4.38Å; L275-F300 HydrophobicContact CD2-CZ 4.31Å
276	S	97.7	Very high	95.9	Very high	12 Å²	12	62.7 Å²	62.7	8%	0.084	29%	0.294	C	S	.	.	H	α-helix	trans	-68.8	-40	176.2	-50.2	0	0	0	0	110.6	D265 E273 E279 Q280	D265-S276 VanDerWaalsContact OD1-CB 3.3Å; D265-S276 WeakPolarHBondContact OD1-CB 3.25Å; D265-S276 PolarHBondContact OD1-OG 2.89Å; E273-S276 WeakPolarHBondContact O-CB 3.09Å; E273-S276 PolarHBondContact O-N 2.87Å; S276-E279 PolarHBondContact O-N 3.45Å; S276-Q280 WeakPolarHBondContact O-CG 3.43Å; S276-Q280 PolarHBondContact O-N 3.35Å
277	Q	98.2	Very high	95.5	Very high	58 Å²	58	65.3 Å²	65.3	27%	0.271	29%	0.294	S	S	.	.	H	α-helix	trans	-60.8	-46.1	173.4	-67.5	174.6	-46.6	0	0	111.6	E273 P274 Q280 Y281 Y299	E273-Q277 HydrophobicContact CG-CG 4.27Å; E273-Q277 PolarHBondContact O-N 2.87Å; P274-Q277 PolarHBondContact O-N 3.03Å; Q277-Q280 PolarHBondContact O-N 3.39Å; Q277-Y281 WeakPolarHBondContact O-CB 3.4Å; Q277-Y281 PolarHBondContact O-N 3Å; Q277-Y299 HydrophobicContact CB-CD1 4.04Å; Q277-Y299 HydrophobicContact CB-CD2 3.71Å; Q277-Y299 HydrophobicContact CB-CE1 4.25Å; Q277-Y299 HydrophobicContact CB-CE2 3.93Å; Q277-Y299 HydrophobicContact CB-CG 3.78Å; Q277-Y299 HydrophobicContact CG-CD1 4.43Å
278	L	98.5	Very high	95	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61.8	-42.6	175.3	176.9	58.3	0	0	0	112.3	V232 L233 L236 P274 L275 Q280 Y281 I282 I296 F300	V232-L278 HydrophobicContact CG1-CD2 4.27Å; L233-L278 HydrophobicContact CB-CD2 4.22Å; L233-L278 HydrophobicContact CD1-CB 4.32Å; L233-L278 HydrophobicContact CD1-CD2 3.95Å; L233-L278 HydrophobicContact CD1-CG 4.04Å; L236-L278 HydrophobicContact CD1-CD2 4.09Å; P274-L278 WeakPolarHBondContact O-CB 3.42Å; P274-L278 PolarHBondContact O-N 3.2Å; L275-L278 PolarHBondContact O-N 3.49Å; L278-Q280 PolarHBondContact O-N 3.32Å; L278-Y281 PolarHBondContact O-N 2.97Å; L278-I282 HydrophobicContact CD1-CD1 3.79Å; L278-I282 HydrophobicContact CD1-CG1 4.11Å; L278-I282 HydrophobicContact CG-CD1 3.91Å; L278-I282 WeakPolarHBondContact O-CG1 3.49Å; L278-I282 PolarHBondContact O-N 2.97Å; L278-I296 HydrophobicContact CD1-CD1 4.12Å; L278-I296 HydrophobicContact CD1-CG1 4.19Å; L278-I296 HydrophobicContact CD1-CG2 3.83Å; L278-F300 HydrophobicContact CD2-CE2 4.42Å; L278-F300 HydrophobicContact CD2-CZ 4.31Å
279	E	98	Very high	94.6	Very high	26 Å²	26	72 Å²	72	12%	0.121	33%	0.327	C	S	.	.	H	α-helix	trans	-58.1	-48.2	175.2	176.5	177.9	-122.3	0	0	111.5	L233 T263 V264 L275 S276 Y281 I282 K283	L233-E279 HydrophobicContact CD1-CB 4.42Å; L233-E279 HydrophobicContact CD2-CB 3.97Å; L233-E279 HydrophobicContact CD2-CG 4.29Å; T263-E279 WeakPolarHBondContact CA-OE1 3.15Å; V264-E279 HydrophobicContact CB-CB 4.37Å; V264-E279 WeakPolarHBondContact CB-OE2 3.46Å; V264-E279 HydrophobicContact CG2-CB 3.84Å; V264-E279 HydrophobicContact CG2-CG 4.23Å; V264-E279 VanDerWaalsContact N-CD 3.35Å; V264-E279 PolarHBondContact N-OE1 3.43Å; V264-E279 PolarHBondContact N-OE2 3.41Å; V264-E279 VanDerWaalsContact N-OE2 3.13Å; L275-E279 WeakPolarHBondContact O-CB 3.33Å; L275-E279 PolarHBondContact O-N 3.23Å; S276-E279 PolarHBondContact O-N 3.45Å; E279-Y281 PolarHBondContact O-N 3.33Å; E279-I282 PolarHBondContact O-N 3.1Å; E279-K283 VanDerWaalsContact O-CB 3.28Å; E279-K283 WeakPolarHBondContact O-CB 3.45Å; E279-K283 PolarHBondContact O-N 2.87Å
280	Q	97.5	Very high	94.4	Very high	72 Å²	72	65.6 Å²	65.6	34%	0.336	31%	0.311	S	S	.	.	H	α-helix	trans	-64.7	-40.8	179	-63.5	-63.4	0.2	0	0	111.7	S276 Q277 L278 I282 K283 F284	S276-Q280 WeakPolarHBondContact O-CG 3.43Å; S276-Q280 PolarHBondContact O-N 3.35Å; Q277-Q280 PolarHBondContact O-N 3.39Å; L278-Q280 PolarHBondContact O-N 3.32Å; Q280-I282 PolarHBondContact O-N 3.33Å; Q280-K283 PolarHBondContact O-N 3.26Å; Q280-F284 HydrophobicContact CB-CD2 4.45Å; Q280-F284 WeakPolarHBondContact O-CD2 3.37Å; Q280-F284 PolarHBondContact O-N 3.45Å
281	Y	98	Very high	94.6	Very high	47 Å²	47	63.6 Å²	63.6	18%	0.184	29%	0.289	C	S	.	.	H	α-helix	trans	-57.3	-48.3	175.5	-174.1	-90.2	0	0	0	111.4	W226 Q277 L278 E279 R285 P291 D292 V295 I296 Y299	W226-Y281 AromaticContact CH2-CE1 3.77Å; W226-Y281 HydrophobicContact CH2-CE1 3.77Å; W226-Y281 HydrophobicContact CZ3-CD1 4.1Å; W226-Y281 AromaticContact CZ3-CE1 3.59Å; W226-Y281 HydrophobicContact CZ3-CE1 3.59Å; Q277-Y281 WeakPolarHBondContact O-CB 3.4Å; Q277-Y281 PolarHBondContact O-N 3Å; L278-Y281 PolarHBondContact O-N 2.97Å; E279-Y281 PolarHBondContact O-N 3.33Å; Y281-R285 PolarHBondContact O-N 2.86Å; Y281-R285 VanDerWaalsContact O-N 3.13Å; Y281-P291 HydrophobicContact CE1-CB 4.47Å; Y281-D292 WeakPolarHBondContact OH-CA 3.35Å; Y281-D292 WeakPolarHBondContact OH-CB 3.37Å; Y281-D292 PolarHBondContact OH-N 2.74Å; Y281-V295 HydrophobicContact CD2-CG1 4.02Å; Y281-V295 HydrophobicContact CE2-CB 4.31Å; Y281-V295 HydrophobicContact CE2-CG1 3.85Å; Y281-I296 HydrophobicContact CD1-CD1 3.95Å; Y281-I296 HydrophobicContact CD1-CG1 3.94Å; Y281-I296 HydrophobicContact CE1-CD1 3.82Å; Y281-I296 HydrophobicContact CE1-CG1 3.99Å; Y281-I296 HydrophobicContact CG-CG1 4.39Å; Y281-Y299 HydrophobicContact CD2-CE2 4.42Å; Y281-Y299 HydrophobicContact CG-CE2 4.47Å
282	I	97.1	Very high	94.7	Very high	7 Å²	7	60.9 Å²	60.9	4%	0.036	28%	0.281	C	S	.	.	H	α-helix	trans	-64.4	-44.5	175.6	-66.3	163.3	0	0	0	110.1	L229 L233 L278 E279 Q280 F284 R285	L229-I282 HydrophobicContact CB-CD1 4.21Å; L229-I282 HydrophobicContact CB-CG1 4.26Å; L229-I282 VanDerWaalsContact O-CD1 3.31Å; L229-I282 WeakPolarHBondContact O-CD1 3.38Å; L233-I282 HydrophobicContact CB-CD1 3.97Å; L233-I282 HydrophobicContact CD2-CD1 4.33Å; L278-I282 HydrophobicContact CD1-CD1 3.79Å; L278-I282 HydrophobicContact CD1-CG1 4.11Å; L278-I282 HydrophobicContact CG-CD1 3.91Å; L278-I282 WeakPolarHBondContact O-CG1 3.49Å; L278-I282 PolarHBondContact O-N 2.97Å; E279-I282 PolarHBondContact O-N 3.1Å; Q280-I282 PolarHBondContact O-N 3.33Å; I282-F284 PolarHBondContact O-N 2.9Å; I282-R285 WeakPolarHBondContact O-CB 3.24Å; I282-R285 WeakPolarHBondContact O-CD 3.4Å; I282-R285 WeakPolarHBondContact O-CG 3.28Å; I282-R285 PolarHBondContact O-N 3.34Å; I282-R285 PolarHBondContact O-NH1 3.39Å
283	K	95.2	Very high	94.8	Very high	134 Å²	134	61.7 Å²	61.7	58%	0.583	28%	0.284	S	S	*	.	H	α-helix	trans	-60.3	-43.2	-176.7	-174.3	-179.3	179.4	-178.9	0	112.8	E279 Q280	E279-K283 VanDerWaalsContact O-CB 3.28Å; E279-K283 WeakPolarHBondContact O-CB 3.45Å; E279-K283 PolarHBondContact O-N 2.87Å; Q280-K283 PolarHBondContact O-N 3.26Å
284	F	95.6	Very high	94.9	Very high	153 Å²	153	62.4 Å²	62.4	67%	0.671	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	10.9	-176.6	-64.8	-67.3	0	0	0	114.4	Q280 I282	Q280-F284 HydrophobicContact CB-CD2 4.45Å; Q280-F284 WeakPolarHBondContact O-CD2 3.37Å; Q280-F284 PolarHBondContact O-N 3.45Å; I282-F284 PolarHBondContact O-N 2.9Å
285	R	94.6	Very high	94.8	Very high	49 Å²	49	64.5 Å²	64.5	19%	0.185	30%	0.304	C	S	.	.			trans	-49	140.4	177.7	67.3	-169.9	-179	-90.1	21.2	113.9	W226 Y281 I282 R287	W226-R285 HydrophobicContact CD2-CB 4.03Å; W226-R285 VanDerWaalsContact CD2-CD 3.41Å; W226-R285 HydrophobicContact CD2-CG 4.21Å; W226-R285 HydrophobicContact CE3-CB 3.7Å; W226-R285 HydrophobicContact CE3-CG 4.14Å; W226-R285 HydrophobicContact CH2-CB 3.51Å; W226-R285 HydrophobicContact CZ2-CB 3.85Å; W226-R285 HydrophobicContact CZ3-CB 3.41Å; W226-R285 VanDerWaalsContact CZ3-CB 3.41Å; W226-R285 HydrophobicContact CZ3-CG 4.35Å; Y281-R285 PolarHBondContact O-N 2.86Å; Y281-R285 VanDerWaalsContact O-N 3.13Å; I282-R285 WeakPolarHBondContact O-CB 3.24Å; I282-R285 WeakPolarHBondContact O-CD 3.4Å; I282-R285 WeakPolarHBondContact O-CG 3.28Å; I282-R285 PolarHBondContact O-N 3.34Å; I282-R285 PolarHBondContact O-NH1 3.39Å; R285-R287 HydrophobicContact CG-CG 4.15Å; R285-R287 PolarHBondContact O-N 3Å
286	D	90.6	Very high	94.9	Very high	77 Å²	77	64.5 Å²	64.5	41%	0.412	30%	0.304	S	S	.	.			trans	-76.4	108.6	157	-172.2	-5	0	0	0	108.3	W226 R288 A289	W226-D286 WeakPolarHBondContact CZ2-O 2.84Å; D286-R288 PolarHBondContact O-N 3.44Å; D286-R288 VanDerWaalsContact OD1-CB 3.25Å; D286-R288 WeakPolarHBondContact OD1-CB 3.47Å; D286-R288 PolarHBondContact OD1-N 3.49Å; D286-R288 IonicContact OD1-NE 3.64Å; D286-R288 PolarHBondContact OD1-NE 3.16Å; D286-R288 IonicContact OD2-NE 2.62Å; D286-R288 IonicContact OD2-NH2 2.73Å; D286-A289 HydrophobicContact CB-CB 3.99Å; D286-A289 PolarHBondContact O-N 3.5Å
287	R	84.9	Confident	94.9	Very high	181 Å²	181	64.7 Å²	64.7	68%	0.683	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-10.9	177.6	-68.1	-176.4	173	162.5	0.8	113.3	R285	R285-R287 HydrophobicContact CG-CG 4.15Å; R285-R287 PolarHBondContact O-N 3Å
288	R	84.7	Confident	94.9	Very high	173 Å²	173	67.1 Å²	67.1	65%	0.653	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-30.6	173.8	-62	179.3	-58.3	168.7	8.4	113.2	Y192 D286	Y192-R288 HydrophobicContact CE1-CB 3.94Å; Y192-R288 HydrophobicContact CE1-CG 3.9Å; Y192-R288 WeakPolarHBondContact OH-CA 3.49Å; Y192-R288 WeakPolarHBondContact OH-CB 3.38Å; Y192-R288 PolarHBondContact OH-O 3.24Å; D286-R288 PolarHBondContact O-N 3.44Å; D286-R288 VanDerWaalsContact OD1-CB 3.25Å; D286-R288 WeakPolarHBondContact OD1-CB 3.47Å; D286-R288 PolarHBondContact OD1-N 3.49Å; D286-R288 IonicContact OD1-NE 3.64Å; D286-R288 PolarHBondContact OD1-NE 3.16Å; D286-R288 IonicContact OD2-NE 2.62Å; D286-R288 IonicContact OD2-NH2 2.73Å
289	A	87.1	Confident	94.9	Very high	46 Å²	46	69.4 Å²	69.4	38%	0.38	32%	0.322	S	S	.	.	S	Bend	trans	-74	155.7	176.5	0	0	0	0	0	111.6	W226 D286	W226-A289 PolarHBondContact NE1-O 2.79Å; D286-A289 HydrophobicContact CB-CB 3.99Å; D286-A289 PolarHBondContact O-N 3.5Å
290	T	89.5	Confident	94.9	Very high	74 Å²	74	68.2 Å²	68.2	45%	0.454	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-68	144.4	152.2	41.3	0	0	0	0	109.1
291	P	95.1	Very high	94.9	Very high	5 Å²	5	67.8 Å²	67.8	3%	0.032	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-57.2	141	168.6	-20	29.9	0	0	0	111.2	V225 W226 L229 Y281 Y293	V225-P291 HydrophobicContact CB-CG 4.49Å; V225-P291 HydrophobicContact CG2-CG 3.97Å; W226-P291 HydrophobicContact CD2-CG 3.88Å; W226-P291 HydrophobicContact CE3-CB 4.46Å; W226-P291 HydrophobicContact CE3-CG 3.89Å; W226-P291 HydrophobicContact CH2-CB 3.84Å; W226-P291 HydrophobicContact CH2-CG 3.86Å; W226-P291 HydrophobicContact CZ2-CB 4.23Å; W226-P291 HydrophobicContact CZ2-CG 3.84Å; W226-P291 HydrophobicContact CZ3-CB 3.98Å; W226-P291 HydrophobicContact CZ3-CG 3.89Å; L229-P291 HydrophobicContact CD1-CB 3.48Å; L229-P291 VanDerWaalsContact CD1-CB 3.48Å; L229-P291 HydrophobicContact CD1-CG 3.43Å; L229-P291 VanDerWaalsContact CD1-CG 3.43Å; L229-P291 HydrophobicContact CG-CG 4.47Å; Y281-P291 HydrophobicContact CE1-CB 4.47Å; P291-Y293 HydrophobicContact CB-CD1 4.45Å; P291-Y293 HydrophobicContact CB-CE1 4.01Å; P291-Y293 HydrophobicContact CB-CE2 4.28Å; P291-Y293 HydrophobicContact CG-CE1 4.31Å; P291-Y293 WeakPolarHBondContact O-CD2 3.24Å; P291-Y293 WeakPolarHBondContact O-CE2 3.31Å; P291-Y293 PolarHBondContact O-N 3.09Å
292	D	97	Very high	94.9	Very high	75 Å²	75	68.9 Å²	68.9	40%	0.401	33%	0.326	S	S	.	.			trans	-84.9	94.9	164.3	-173.2	-27.4	0	0	0	107.6	Y281 D294 V295	Y281-D292 WeakPolarHBondContact OH-CA 3.35Å; Y281-D292 WeakPolarHBondContact OH-CB 3.37Å; Y281-D292 PolarHBondContact OH-N 2.74Å; D292-D294 VanDerWaalsContact C-N 3.26Å; D292-D294 PolarHBondContact O-N 3.33Å; D292-D294 PolarHBondContact OD1-N 3.39Å; D292-D294 VanDerWaalsContact OD1-N 3.13Å; D292-V295 HydrophobicContact CB-CB 4.29Å; D292-V295 HydrophobicContact CB-CG2 4.12Å; D292-V295 VanDerWaalsContact CG-CG2 3.44Å; D292-V295 PolarHBondContact O-N 3.24Å; D292-V295 PolarHBondContact OD1-N 2.95Å; D292-V295 WeakPolarHBondContact OD2-CG2 3.43Å
293	Y	98.2	Very high	94.9	Very high	17 Å²	17	69.7 Å²	69.7	7%	0.067	33%	0.329	C	S	.	.	H	α-helix	trans	-69.6	-26.3	-179	-57.1	-82.8	0	0	0	112.2	V145 R149 H152 L229 P291 V295 I296 I297	V145-Y293 HydrophobicContact CG1-CD1 4.22Å; R149-Y293 HydrophobicContact CB-CD1 3.83Å; R149-Y293 HydrophobicContact CB-CD2 3.85Å; R149-Y293 HydrophobicContact CB-CE1 4.27Å; R149-Y293 HydrophobicContact CB-CE2 4.29Å; R149-Y293 HydrophobicContact CB-CG 3.63Å; R149-Y293 HydrophobicContact CG-CD2 3.64Å; R149-Y293 HydrophobicContact CG-CE2 4.17Å; R149-Y293 HydrophobicContact CG-CG 3.87Å; H152-Y293 AromaticContact ND1-CE1 3.86Å; H152-Y293 AromaticContact ND1-CZ 3.57Å; H152-Y293 PolarHBondContact ND1-OH 2.86Å; L229-Y293 HydrophobicContact CD2-CE1 4.22Å; P291-Y293 HydrophobicContact CB-CD1 4.45Å; P291-Y293 HydrophobicContact CB-CE1 4.01Å; P291-Y293 HydrophobicContact CB-CE2 4.28Å; P291-Y293 HydrophobicContact CG-CE1 4.31Å; P291-Y293 WeakPolarHBondContact O-CD2 3.24Å; P291-Y293 WeakPolarHBondContact O-CE2 3.31Å; P291-Y293 PolarHBondContact O-N 3.09Å; Y293-V295 VanDerWaalsContact C-N 3.32Å; Y293-I296 PolarHBondContact O-N 2.72Å; Y293-I297 WeakPolarHBondContact O-CB 3.3Å; Y293-I297 WeakPolarHBondContact O-CG1 3.45Å; Y293-I297 PolarHBondContact O-N 3.38Å
294	D	98.2	Very high	94.9	Very high	104 Å²	104	64.4 Å²	64.4	56%	0.556	31%	0.306	S	S	*	.	H	α-helix	trans	-67.4	-38.4	179.4	-65.9	-38.1	0	0	0	110.2	R149 D292 I296 I297 K298	R149-D294 IonicContact NH1-OD1 2.79Å; R149-D294 PolarHBondContact NH1-OD1 3.21Å; D292-D294 VanDerWaalsContact C-N 3.26Å; D292-D294 PolarHBondContact O-N 3.33Å; D292-D294 PolarHBondContact OD1-N 3.39Å; D292-D294 VanDerWaalsContact OD1-N 3.13Å; D294-I296 VanDerWaalsContact C-N 3.34Å; D294-I296 PolarHBondContact O-N 3.29Å; D294-I297 PolarHBondContact O-N 3.02Å; D294-K298 VanDerWaalsContact O-CB 3.24Å; D294-K298 WeakPolarHBondContact O-CB 3.34Å; D294-K298 PolarHBondContact O-N 2.86Å
295	V	98	Very high	94.9	Very high	45 Å²	45	62 Å²	62	27%	0.273	30%	0.297	S	S	.	.	H	α-helix	trans	-59.3	-43.9	170.8	170.1	0	0	0	0	111.7	Y281 D292 Y293 K298 Y299	Y281-V295 HydrophobicContact CD2-CG1 4.02Å; Y281-V295 HydrophobicContact CE2-CB 4.31Å; Y281-V295 HydrophobicContact CE2-CG1 3.85Å; D292-V295 HydrophobicContact CB-CB 4.29Å; D292-V295 HydrophobicContact CB-CG2 4.12Å; D292-V295 VanDerWaalsContact CG-CG2 3.44Å; D292-V295 PolarHBondContact O-N 3.24Å; D292-V295 PolarHBondContact OD1-N 2.95Å; D292-V295 WeakPolarHBondContact OD2-CG2 3.43Å; Y293-V295 VanDerWaalsContact C-N 3.32Å; V295-K298 WeakPolarHBondContact O-CB 3.4Å; V295-K298 PolarHBondContact O-N 3.06Å; V295-Y299 HydrophobicContact CG1-CE1 3.96Å; V295-Y299 HydrophobicContact CG1-CE2 4.08Å; V295-Y299 VanDerWaalsContact CG1-CZ 3.49Å; V295-Y299 VanDerWaalsContact CG1-OH 3.22Å; V295-Y299 WeakPolarHBondContact CG1-OH 3.35Å; V295-Y299 PolarHBondContact O-N 2.82Å
296	I	98.4	Very high	94.9	Very high	0 Å²	0	65 Å²	65	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65.2	-48.8	178.8	-61.4	170.8	0	0	0	110.6	V145 L229 L278 Y281 Y293 D294 K298 Y299 F300	V145-I296 HydrophobicContact CG1-CB 4.27Å; V145-I296 HydrophobicContact CG1-CG2 3.96Å; V145-I296 HydrophobicContact CG2-CG2 3.88Å; L229-I296 HydrophobicContact CD1-CD1 3.82Å; L229-I296 HydrophobicContact CD2-CD1 4.01Å; L278-I296 HydrophobicContact CD1-CD1 4.12Å; L278-I296 HydrophobicContact CD1-CG1 4.19Å; L278-I296 HydrophobicContact CD1-CG2 3.83Å; Y281-I296 HydrophobicContact CD1-CD1 3.95Å; Y281-I296 HydrophobicContact CD1-CG1 3.94Å; Y281-I296 HydrophobicContact CE1-CD1 3.82Å; Y281-I296 HydrophobicContact CE1-CG1 3.99Å; Y281-I296 HydrophobicContact CG-CG1 4.39Å; Y293-I296 PolarHBondContact O-N 2.72Å; D294-I296 VanDerWaalsContact C-N 3.34Å; D294-I296 PolarHBondContact O-N 3.29Å; I296-K298 PolarHBondContact O-N 3.14Å; I296-Y299 WeakPolarHBondContact O-CB 3.37Å; I296-Y299 PolarHBondContact O-N 2.89Å; I296-F300 HydrophobicContact CG2-CD2 4.45Å; I296-F300 HydrophobicContact CG2-CE2 4.1Å; I296-F300 VanDerWaalsContact O-CD2 3.29Å; I296-F300 WeakPolarHBondContact O-CD2 3.14Å
297	I	98.5	Very high	95	Very high	15 Å²	15	61.4 Å²	61.4	8%	0.077	29%	0.292	C	S	.	.	H	α-helix	trans	-59.4	-39	178.2	-72	166.8	0	0	0	110.2	I142 V145 Y293 D294 Y299 F300 N301	I142-I297 HydrophobicContact CG2-CG2 4.31Å; V145-I297 HydrophobicContact CB-CG1 4.15Å; V145-I297 HydrophobicContact CG1-CD1 4.23Å; V145-I297 HydrophobicContact CG1-CG1 3.76Å; Y293-I297 WeakPolarHBondContact O-CB 3.3Å; Y293-I297 WeakPolarHBondContact O-CG1 3.45Å; Y293-I297 PolarHBondContact O-N 3.38Å; D294-I297 PolarHBondContact O-N 3.02Å; I297-Y299 VanDerWaalsContact C-N 3.33Å; I297-Y299 PolarHBondContact O-N 3.27Å; I297-F300 PolarHBondContact O-N 3.46Å; I297-F300 VanDerWaalsContact O-N 3.14Å; I297-N301 WeakPolarHBondContact CG2-ND2 3.31Å; I297-N301 PolarHBondContact O-N 3.2Å
298	K	98.4	Very high	95.3	Very high	110 Å²	110	54.1 Å²	54.1	48%	0.478	27%	0.266	S	S	.	.	H	α-helix	trans	-58.5	-40.6	177.2	-166.6	-171.1	-170.8	-42.8	0	112.7	D294 V295 I296 F300 N301 D302	D294-K298 VanDerWaalsContact O-CB 3.24Å; D294-K298 WeakPolarHBondContact O-CB 3.34Å; D294-K298 PolarHBondContact O-N 2.86Å; V295-K298 WeakPolarHBondContact O-CB 3.4Å; V295-K298 PolarHBondContact O-N 3.06Å; I296-K298 PolarHBondContact O-N 3.14Å; K298-F300 PolarHBondContact O-N 2.92Å; K298-N301 PolarHBondContact O-N 3.31Å; K298-D302 IonicContact NZ-OD1 3.1Å; K298-D302 PolarHBondContact NZ-OD1 2.69Å; K298-D302 IonicContact NZ-OD2 3.42Å; K298-D302 PolarHBondContact NZ-OD2 3.01Å; K298-D302 WeakPolarHBondContact O-CB 3.43Å; K298-D302 VanDerWaalsContact O-CG 3.25Å; K298-D302 PolarHBondContact O-N 3.19Å
299	Y	98.4	Very high	95.6	Very high	48 Å²	48	53.5 Å²	53.5	19%	0.188	27%	0.268	C	S	.	.	H	α-helix	trans	-55.2	-42.4	176.2	-59.8	-31.3	0	0	0	112.2	P274 Q277 Y281 V295 I296 I297 Y303	P274-Y299 WeakPolarHBondContact CG-O 3.18Å; Q277-Y299 HydrophobicContact CB-CD1 4.04Å; Q277-Y299 HydrophobicContact CB-CD2 3.71Å; Q277-Y299 HydrophobicContact CB-CE1 4.25Å; Q277-Y299 HydrophobicContact CB-CE2 3.93Å; Q277-Y299 HydrophobicContact CB-CG 3.78Å; Q277-Y299 HydrophobicContact CG-CD1 4.43Å; Y281-Y299 HydrophobicContact CD2-CE2 4.42Å; Y281-Y299 HydrophobicContact CG-CE2 4.47Å; V295-Y299 HydrophobicContact CG1-CE1 3.96Å; V295-Y299 HydrophobicContact CG1-CE2 4.08Å; V295-Y299 VanDerWaalsContact CG1-CZ 3.49Å; V295-Y299 VanDerWaalsContact CG1-OH 3.22Å; V295-Y299 WeakPolarHBondContact CG1-OH 3.35Å; V295-Y299 PolarHBondContact O-N 2.82Å; I296-Y299 WeakPolarHBondContact O-CB 3.37Å; I296-Y299 PolarHBondContact O-N 2.89Å; I297-Y299 VanDerWaalsContact C-N 3.33Å; I297-Y299 PolarHBondContact O-N 3.27Å; Y299-Y303 WeakPolarHBondContact O-CB 3.29Å; Y299-Y303 PolarHBondContact O-N 2.82Å
300	F	98.3	Very high	95.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-76.3	-43.5	179.5	-67.9	-76.3	0	0	0	111.6	T138 A141 I142 L236 F272 P274 L275 L278 I296 I297 K298 Y303 H304	T138-F300 HydrophobicContact CG2-CB 3.94Å; T138-F300 HydrophobicContact CG2-CD1 4.46Å; T138-F300 WeakPolarHBondContact CG2-O 3.49Å; A141-F300 HydrophobicContact CB-CB 4.47Å; A141-F300 HydrophobicContact CB-CD1 3.43Å; A141-F300 VanDerWaalsContact CB-CD1 3.43Å; A141-F300 HydrophobicContact CB-CD2 3.97Å; A141-F300 HydrophobicContact CB-CE1 3.49Å; A141-F300 VanDerWaalsContact CB-CE1 3.49Å; A141-F300 HydrophobicContact CB-CE2 4.05Å; A141-F300 HydrophobicContact CB-CG 3.68Å; A141-F300 HydrophobicContact CB-CZ 3.83Å; I142-F300 HydrophobicContact CD1-CB 4.36Å; I142-F300 HydrophobicContact CG1-CB 3.8Å; L236-F300 HydrophobicContact CD1-CE1 4.18Å; L236-F300 HydrophobicContact CD1-CE2 4.25Å; L236-F300 HydrophobicContact CD1-CZ 3.6Å; F272-F300 HydrophobicContact CZ-CD1 4.31Å; F272-F300 HydrophobicContact CZ-CE1 4.17Å; P274-F300 HydrophobicContact CB-CD1 3.62Å; P274-F300 HydrophobicContact CB-CE1 3.54Å; P274-F300 HydrophobicContact CB-CG 4.22Å; P274-F300 HydrophobicContact CB-CZ 4.06Å; P274-F300 HydrophobicContact CG-CD1 4.37Å; L275-F300 HydrophobicContact CD2-CE1 4.38Å; L275-F300 HydrophobicContact CD2-CZ 4.31Å; L278-F300 HydrophobicContact CD2-CE2 4.42Å; L278-F300 HydrophobicContact CD2-CZ 4.31Å; I296-F300 HydrophobicContact CG2-CD2 4.45Å; I296-F300 HydrophobicContact CG2-CE2 4.1Å; I296-F300 VanDerWaalsContact O-CD2 3.29Å; I296-F300 WeakPolarHBondContact O-CD2 3.14Å; I297-F300 PolarHBondContact O-N 3.46Å; I297-F300 VanDerWaalsContact O-N 3.14Å; K298-F300 PolarHBondContact O-N 2.92Å; F300-Y303 PolarHBondContact O-N 3.17Å; F300-H304 WeakPolarHBondContact O-CB 3.32Å; F300-H304 PolarHBondContact O-N 3Å
301	N	97.6	Very high	95.6	Very high	63 Å²	63	59.6 Å²	59.6	34%	0.337	28%	0.279	S	S	.	.	H	α-helix	trans	-59.5	-48.9	176.5	-79	-18.7	0	0	0	112.7	I142 I297 K298 Y303 H304 E305	I142-N301 WeakPolarHBondContact CD1-OD1 3.39Å; I297-N301 WeakPolarHBondContact CG2-ND2 3.31Å; I297-N301 PolarHBondContact O-N 3.2Å; K298-N301 PolarHBondContact O-N 3.31Å; N301-Y303 PolarHBondContact O-N 3.37Å; N301-H304 WeakPolarHBondContact O-CB 3.46Å; N301-H304 PolarHBondContact O-N 2.94Å; N301-H304 VanDerWaalsContact O-N 3.1Å; N301-E305 WeakPolarHBondContact O-CG 3.22Å; N301-E305 PolarHBondContact O-N 3.35Å
302	D	97.6	Very high	95	Very high	70 Å²	70	66.5 Å²	66.5	37%	0.374	32%	0.316	S	S	.	.	H	α-helix	trans	-58.3	-39.6	179.1	-70.6	-5.3	0	0	0	111.1	K298 K306	K298-D302 IonicContact NZ-OD1 3.1Å; K298-D302 PolarHBondContact NZ-OD1 2.69Å; K298-D302 IonicContact NZ-OD2 3.42Å; K298-D302 PolarHBondContact NZ-OD2 3.01Å; K298-D302 WeakPolarHBondContact O-CB 3.43Å; K298-D302 VanDerWaalsContact O-CG 3.25Å; K298-D302 PolarHBondContact O-N 3.19Å; D302-K306 PolarHBondContact O-N 2.85Å; D302-K306 VanDerWaalsContact O-N 3.1Å
303	Y	97.2	Very high	94.1	Very high	25 Å²	25	65 Å²	65	10%	0.098	31%	0.308	C	S	.	.	H	α-helix	trans	-72.7	-37	177.7	-164.3	-91.7	0	0	0	112.4	Q134 F272 E273 P274 Y299 F300 N301 K306 L307	Q134-Y303 HydrophobicContact CB-CE1 4.18Å; Q134-Y303 PolarHBondContact NE2-OH 3.31Å; F272-Y303 HydrophobicContact CD2-CD1 4.02Å; F272-Y303 AromaticContact CD2-CE1 3.52Å; F272-Y303 HydrophobicContact CD2-CE1 3.52Å; F272-Y303 HydrophobicContact CD2-CE2 4.49Å; F272-Y303 AromaticContact CD2-CZ 3.8Å; F272-Y303 AromaticContact CE2-CD1 3.59Å; F272-Y303 HydrophobicContact CE2-CD1 3.59Å; F272-Y303 AromaticContact CE2-CE1 3.51Å; F272-Y303 HydrophobicContact CE2-CE1 3.51Å; F272-Y303 HydrophobicContact CE2-CG 4.34Å; E273-Y303 HydrophobicContact CB-CD2 4.37Å; E273-Y303 HydrophobicContact CB-CE2 4.17Å; P274-Y303 HydrophobicContact CG-CD1 4.06Å; P274-Y303 HydrophobicContact CG-CD2 3.72Å; P274-Y303 HydrophobicContact CG-CG 3.44Å; P274-Y303 VanDerWaalsContact CG-CG 3.44Å; Y299-Y303 WeakPolarHBondContact O-CB 3.29Å; Y299-Y303 PolarHBondContact O-N 2.82Å; F300-Y303 PolarHBondContact O-N 3.17Å; N301-Y303 PolarHBondContact O-N 3.37Å; Y303-K306 WeakPolarHBondContact O-CB 3.37Å; Y303-K306 PolarHBondContact O-N 2.93Å; Y303-L307 HydrophobicContact CD1-CD1 3.8Å; Y303-L307 HydrophobicContact CD1-CG 3.96Å; Y303-L307 HydrophobicContact CE1-CD1 3.68Å; Y303-L307 HydrophobicContact CE1-CD2 3.91Å; Y303-L307 HydrophobicContact CE1-CG 3.79Å; Y303-L307 WeakPolarHBondContact O-CG 3.36Å; Y303-L307 PolarHBondContact O-N 3.14Å
304	H	95.2	Very high	92.6	Very high	22 Å²	22	70.4 Å²	70.4	10%	0.102	34%	0.342	C	S	.	.	H	α-helix	trans	-57.4	-51.4	172.5	-168	77.7	0	0	0	110.4	M135 T138 E139 F300 N301 K306 L307 M308 W315	M135-H304 PolarHBondContact SD-CE1 3.26Å; M135-H304 PolarHBondContact SD-ND1 3.02Å; T138-H304 HydrophobicContact CG2-CB 3.59Å; E139-H304 IonicContact OE1-CE1 2.61Å; F300-H304 WeakPolarHBondContact O-CB 3.32Å; F300-H304 PolarHBondContact O-N 3Å; N301-H304 WeakPolarHBondContact O-CB 3.46Å; N301-H304 PolarHBondContact O-N 2.94Å; N301-H304 VanDerWaalsContact O-N 3.1Å; H304-K306 VanDerWaalsContact C-N 3.27Å; H304-K306 PolarHBondContact O-N 2.94Å; H304-L307 PolarHBondContact O-N 2.99Å; H304-L307 VanDerWaalsContact O-N 3.09Å; H304-M308 WeakPolarHBondContact O-CG 3.11Å; H304-M308 PolarHBondContact O-N 2.83Å; H304-W315 AromaticContact NE2-CD1 3.98Å
305	E	94.8	Very high	90.9	Very high	104 Å²	104	73.4 Å²	73.4	49%	0.486	35%	0.346	S	S	.	.	H	α-helix	trans	-59.1	-38.5	177.9	-70.4	-177.3	-169.9	0	0	112.4	N301 M308 K309	N301-E305 WeakPolarHBondContact O-CG 3.22Å; N301-E305 PolarHBondContact O-N 3.35Å; E305-M308 PolarHBondContact O-N 2.7Å; E305-K309 WeakPolarHBondContact O-CB 3.39Å; E305-K309 VanDerWaalsContact O-CG 3.3Å; E305-K309 WeakPolarHBondContact O-CG 3.36Å; E305-K309 PolarHBondContact O-N 3.35Å
306	K	95.1	Very high	89	Confident	110 Å²	110	76.2 Å²	76.2	48%	0.478	36%	0.359	S	S	.	.	H	α-helix	trans	-63.3	-43.5	175.1	-178.1	-179	176.3	179.9	0	111.8	D302 Y303 H304 Q310	D302-K306 PolarHBondContact O-N 2.85Å; D302-K306 VanDerWaalsContact O-N 3.1Å; Y303-K306 WeakPolarHBondContact O-CB 3.37Å; Y303-K306 PolarHBondContact O-N 2.93Å; H304-K306 VanDerWaalsContact C-N 3.27Å; H304-K306 PolarHBondContact O-N 2.94Å; K306-Q310 WeakPolarHBondContact O-CB 3.42Å; K306-Q310 PolarHBondContact O-N 2.93Å
307	L	93	Very high	87	Confident	3 Å²	3	78.1 Å²	78.1	2%	0.016	38%	0.379	C	S	.	.	H	α-helix	trans	-64.9	-46.1	176.2	-67.4	174.9	0	0	0	111.4	Q134 M135 Y303 H304 K309 Q310 Y311	Q134-L307 HydrophobicContact CB-CD1 3.93Å; M135-L307 HydrophobicContact CB-CD1 4.19Å; M135-L307 HydrophobicContact CE-CB 3.52Å; M135-L307 HydrophobicContact CE-CD1 4.34Å; M135-L307 HydrophobicContact SD-CB 4.02Å; M135-L307 HydrophobicContact SD-CD1 3.94Å; Y303-L307 HydrophobicContact CD1-CD1 3.8Å; Y303-L307 HydrophobicContact CD1-CG 3.96Å; Y303-L307 HydrophobicContact CE1-CD1 3.68Å; Y303-L307 HydrophobicContact CE1-CD2 3.91Å; Y303-L307 HydrophobicContact CE1-CG 3.79Å; Y303-L307 WeakPolarHBondContact O-CG 3.36Å; Y303-L307 PolarHBondContact O-N 3.14Å; H304-L307 PolarHBondContact O-N 2.99Å; H304-L307 VanDerWaalsContact O-N 3.09Å; L307-K309 VanDerWaalsContact C-N 3.3Å; L307-K309 PolarHBondContact O-N 3.43Å; L307-Q310 PolarHBondContact O-N 2.95Å; L307-Y311 HydrophobicContact CB-CD2 4.45Å; L307-Y311 HydrophobicContact CD2-CE2 4.02Å; L307-Y311 VanDerWaalsContact O-CD2 3.24Å; L307-Y311 WeakPolarHBondContact O-CD2 3.25Å; L307-Y311 PolarHBondContact O-N 3.38Å
308	M	90.4	Very high	84.7	Confident	28 Å²	28	82 Å²	82	14%	0.138	40%	0.399	C	S	.	.	H	α-helix	trans	-57.2	-44.7	178.7	-68.2	-63.1	-75.6	0	0	111.4	M135 H304 E305 D312 L313 W315	M135-M308 HydrophobicContact CE-CG 3.95Å; M135-M308 HydrophobicContact CE-SD 3.4Å; M135-M308 WeakPolarHBondContact CE-SD 3.41Å; M135-M308 HydrophobicContact SD-SD 4.19Å; H304-M308 WeakPolarHBondContact O-CG 3.11Å; H304-M308 PolarHBondContact O-N 2.83Å; E305-M308 PolarHBondContact O-N 2.7Å; M308-D312 PolarHBondContact O-N 2.78Å; M308-D312 VanDerWaalsContact O-N 3.08Å; M308-L313 HydrophobicContact CE-CB 3.51Å; M308-L313 WeakPolarHBondContact CE-O 3.31Å; M308-L313 PolarHBondContact O-N 3.1Å; M308-L313 HydrophobicContact SD-CB 3.59Å; M308-L313 VanDerWaalsContact SD-CB 3.59Å; M308-L313 HydrophobicContact SD-CD1 3.97Å; M308-L313 HydrophobicContact SD-CG 4.43Å; M308-W315 HydrophobicContact CE-CB 3.87Å
309	K	92.2	Very high	82.3	Confident	159 Å²	159	80.2 Å²	80.2	69%	0.691	39%	0.391	S	S	*	.	H	α-helix	trans	-65	-36.7	174.8	-72.2	169.2	-175.7	162.8	0	113	E305 L307	E305-K309 WeakPolarHBondContact O-CB 3.39Å; E305-K309 VanDerWaalsContact O-CG 3.3Å; E305-K309 WeakPolarHBondContact O-CG 3.36Å; E305-K309 PolarHBondContact O-N 3.35Å; L307-K309 VanDerWaalsContact C-N 3.3Å; L307-K309 PolarHBondContact O-N 3.43Å
310	Q	89.5	Confident	79.8	Confident	125 Å²	125	82.4 Å²	82.4	58%	0.584	41%	0.409	S	S	*	.	H	α-helix	trans	-70.1	-35.9	-179	-179.5	-180	-27.8	0	0	112.4	K306 L307	K306-Q310 WeakPolarHBondContact O-CB 3.42Å; K306-Q310 PolarHBondContact O-N 2.93Å; L307-Q310 PolarHBondContact O-N 2.95Å
311	Y	86.2	Confident	77.4	Confident	123 Å²	123	89.3 Å²	89.3	48%	0.482	44%	0.442	S	S	.	.	H	α-helix	trans	-100.3	5	-177.1	-66.3	-70	0	0	0	114	L307 L313	L307-Y311 HydrophobicContact CB-CD2 4.45Å; L307-Y311 HydrophobicContact CD2-CE2 4.02Å; L307-Y311 VanDerWaalsContact O-CD2 3.24Å; L307-Y311 WeakPolarHBondContact O-CD2 3.25Å; L307-Y311 PolarHBondContact O-N 3.38Å; Y311-L313 PolarHBondContact O-N 2.93Å
312	D	82.7	Confident	74.6	Confident	151 Å²	151	94.8 Å²	94.8	81%	0.807	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	39.4	-177.1	-158.9	30.2	0	0	0	113.2	M308	M308-D312 PolarHBondContact O-N 2.78Å; M308-D312 VanDerWaalsContact O-N 3.08Å
313	L	78	Confident	71.9	Confident	43 Å²	43	97.5 Å²	97.5	23%	0.225	48%	0.476	C	S	.	.			trans	-87	140.2	-178	-61.5	173.3	0	0	0	110.4	M135 M308 Y311 E323	M135-L313 HydrophobicContact CE-CD1 3.65Å; M308-L313 HydrophobicContact CE-CB 3.51Å; M308-L313 WeakPolarHBondContact CE-O 3.31Å; M308-L313 PolarHBondContact O-N 3.1Å; M308-L313 HydrophobicContact SD-CB 3.59Å; M308-L313 VanDerWaalsContact SD-CB 3.59Å; M308-L313 HydrophobicContact SD-CD1 3.97Å; M308-L313 HydrophobicContact SD-CG 4.43Å; Y311-L313 PolarHBondContact O-N 2.93Å; L313-E323 WeakPolarHBondContact CD1-OE2 2.75Å; L313-E323 WeakPolarHBondContact CD2-OE1 3.34Å; L313-E323 WeakPolarHBondContact CD2-OE2 3.11Å
314	V	66	Low	68.8	Low	131 Å²	131	101 Å²	101	79%	0.794	49%	0.493	S	S	*	.			trans	-101.6	124.5	171.2	-178.5	0	0	0	0	108.1	D316	V314-D316 PolarHBondContact O-N 3.16Å
315	W	62.8	Low	65.8	Low	166 Å²	166	112.9 Å²	112.9	63%	0.629	54%	0.544	S	S	*	.			trans	-70.2	111.9	175.5	-163.2	80.7	0	0	0	109.4	H304 M308	H304-W315 AromaticContact NE2-CD1 3.98Å; M308-W315 HydrophobicContact CE-CB 3.87Å
316	D	57.9	Low	64.4	Low	105 Å²	105	113.4 Å²	113.4	56%	0.561	55%	0.547	S	S	*	.			trans	-98.1	1	179.8	70.3	-8.6	0	0	0	113.1	V314 I318	V314-D316 PolarHBondContact O-N 3.16Å; D316-I318 VanDerWaalsContact C-N 3.28Å; D316-I318 PolarHBondContact O-N 2.85Å; D316-I318 PolarHBondContact OD1-N 2.82Å; D316-I318 VanDerWaalsContact OD1-O 3.07Å
317	G	56.4	Low	62.8	Low	39 Å²	39	113.5 Å²	113.5	40%	0.402	55%	0.551	S	S	.	*	S	Bend	trans	77.5	8.2	-178.2	0	0	0	0	0	114.6
318	I	50.1	Low	61.1	Low	98 Å²	98	119.7 Å²	119.7	50%	0.503	58%	0.581	S	S	.	*			trans	-126.5	120.2	-179.2	-53.9	178.1	0	0	0	109.5	D316 T320	D316-I318 VanDerWaalsContact C-N 3.28Å; D316-I318 PolarHBondContact O-N 2.85Å; D316-I318 PolarHBondContact OD1-N 2.82Å; D316-I318 VanDerWaalsContact OD1-O 3.07Å; I318-T320 HydrophobicContact CG2-CG2 3.98Å; I318-T320 PolarHBondContact O-N 3.35Å
319	F	49.1	Very low	59.4	Low	72 Å²	72	125.1 Å²	125.1	32%	0.316	61%	0.607	S	S	.	*			trans	-75.7	92.4	171.7	-58.5	-60.3	0	0	0	110.2	E139	E139-F319 HydrophobicContact CB-CE1 3.93Å; E139-F319 HydrophobicContact CB-CZ 4.13Å; E139-F319 HydrophobicContact CG-CD1 4.08Å; E139-F319 HydrophobicContact CG-CE1 3.41Å; E139-F319 VanDerWaalsContact CG-CE1 3.41Å; E139-F319 HydrophobicContact CG-CZ 4.05Å; E139-F319 VanDerWaalsContact OE1-CD1 3.27Å; E139-F319 WeakPolarHBondContact OE1-CD1 3.32Å; E139-F319 VanDerWaalsContact OE1-CE1 3.24Å; E139-F319 WeakPolarHBondContact OE1-CE1 3.4Å; E139-F319 WeakPolarHBondContact OE2-CD1 3.23Å; E139-F319 VanDerWaalsContact OE2-CE1 3.26Å; E139-F319 WeakPolarHBondContact OE2-CE1 3.31Å
320	T	45.8	Very low	57.3	Low	93 Å²	93	122.9 Å²	122.9	57%	0.571	60%	0.601	S	S	*	*			trans	-90.3	137.1	168.1	53.7	0	0	0	0	110.9	I318 E322	I318-T320 HydrophobicContact CG2-CG2 3.98Å; I318-T320 PolarHBondContact O-N 3.35Å; T320-E322 PolarHBondContact O-N 2.93Å
321	E	48.1	Very low	55.2	Low	146 Å²	146	122.8 Å²	122.8	68%	0.682	60%	0.603	S	S	*	*	S	Bend	trans	-73.8	16.8	-176.6	-71.3	-169.1	134.6	0	0	115.2	Q127 E323	Q127-E321 PolarHBondContact NE2-OE1 2.91Å; E321-E323 PolarHBondContact O-N 3.22Å
322	E	39.1	Very low	53	Low	177 Å²	177	122.8 Å²	122.8	83%	0.827	61%	0.611	S	S	*	*			trans	-93.1	9.2	-162.6	-77	-165.3	156.1	0	0	118.3	T320	T320-E322 PolarHBondContact O-N 2.93Å
323	E	39.7	Very low	50.7	Low	128 Å²	128	120.6 Å²	120.6	60%	0.598	60%	0.596	S	S	*	*			trans	-117.4	65.6	-177.4	-63.4	-175.4	158.1	0	0	113.5	L313 E321	L313-E323 WeakPolarHBondContact CD1-OE2 2.75Å; L313-E323 WeakPolarHBondContact CD2-OE1 3.34Å; L313-E323 WeakPolarHBondContact CD2-OE2 3.11Å; E321-E323 PolarHBondContact O-N 3.22Å
324	Q	32.5	Very low	48.4	Very low	99 Å²	99	127.1 Å²	127.1	46%	0.463	63%	0.627	S	S	.	*			trans	-113.1	75.8	166.2	-65.7	-168.2	8.8	0	0	111.2	Q127	Q127-Q324 VanDerWaalsContact OE1-NE2 3.15Å
325	K	33.3	Very low	46.8	Very low	271 Å²	271	126.7 Å²	126.7	100%	1.178	61%	0.612	S	S	*	*			trans	-123.4	0	150	-82.8	-176.1	178.5	174.3	0	107.7

Retrieved 325 of 325 residues in 776.3 ms (Link to these results)

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