G4LUW7_SCHMA Loading...

Amiloride-sensitive sodium channel,putative

AlphaFold DB , UniProt , Accession G4LUW7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 600 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	40.8	Very low	38.4	Very low	234 Å²	234	151.2 Å²	151.2	100%	1.153	79%	0.785	S	S	*	*				0	112.9	0	-79.5	164.6	68.1	0	0	107.3
2	N	36.6	Very low	38.5	Very low	146 Å²	146	147.1 Å²	147.1	78%	0.781	79%	0.789	S	S	*	*			trans	44.5	139.9	141.6	-68.5	20.9	0	0	0	119.3
3	D	38.9	Very low	38.4	Very low	107 Å²	107	152.8 Å²	152.8	57%	0.572	80%	0.796	S	S	*	*			cis	-176.5	147.6	-2.6	-125.1	-33.2	0	0	0	106.9
4	Q	38.2	Very low	38.2	Very low	137 Å²	137	151.4 Å²	151.4	64%	0.64	79%	0.79	S	S	*	*			trans	51.4	120.7	131.4	-77.2	176.7	50.7	0	0	121.9
5	R	36.9	Very low	38.3	Very low	228 Å²	228	149.4 Å²	149.4	86%	0.86	79%	0.791	S	S	*	*				72	143.2	100.4	-76.8	-179.3	173.9	171.2	-5	112.7
6	S	39	Very low	38.4	Very low	111 Å²	111	147.9 Å²	147.9	78%	0.776	79%	0.793	S	S	*	*			cis	178.5	168.6	10.7	163.1	0	0	0	0	106.8
7	A	39.4	Very low	38.2	Very low	74 Å²	74	149.3 Å²	149.3	61%	0.612	79%	0.793	S	S	*	*			trans	95	98.3	154.1	0	0	0	0	0	117.5
8	T	39.5	Very low	37.9	Very low	122 Å²	122	148.9 Å²	148.9	75%	0.748	79%	0.789	S	S	*	*				72.8	135.1	98.5	57.2	0	0	0	0	113.4
9	D	37.4	Very low	38	Very low	145 Å²	145	149.4 Å²	149.4	78%	0.775	79%	0.79	S	S	*	*			cis	-172.4	163.1	7.6	-110.6	-28.1	0	0	0	108.4
10	K	38.4	Very low	37.8	Very low	189 Å²	189	151.5 Å²	151.5	82%	0.822	80%	0.796	S	S	*	*			trans	115.6	96.5	154.5	-63	-175.2	179.5	175.4	0	119.5
11	L	37.8	Very low	37.8	Very low	170 Å²	170	153.4 Å²	153.4	89%	0.89	80%	0.803	S	S	*	*			trans	45.2	114.8	133	-84	86.7	0	0	0	121.2
12	A	38.9	Very low	37.5	Very low	102 Å²	102	152.4 Å²	152.4	84%	0.843	79%	0.792	S	S	*	*				175.7	132	93.5	0	0	0	0	0	112
13	Y	37.5	Very low	37.5	Very low	222 Å²	222	154.5 Å²	154.5	87%	0.871	80%	0.797	S	S	*	*			trans	-62.8	166.7	-179.6	-111.3	-116.5	0	0	0	114.6
14	N	36.4	Very low	37.5	Very low	133 Å²	133	154.8 Å²	154.8	71%	0.711	81%	0.805	S	S	*	*			cis	147.1	132.4	-19.1	-138.3	2.8	0	0	0	107.1
15	C	38.4	Very low	37.5	Very low	121 Å²	121	153.5 Å²	153.5	82%	0.818	81%	0.811	S	S	*	*			trans	168.2	155.6	143.3	-100.7	0	0	0	0	114.2
16	P	40.2	Very low	37.5	Very low	125 Å²	125	152.7 Å²	152.7	81%	0.812	81%	0.814	S	S	*	*				-134.1	-169	-120.7	37	-14.8	0	0	0	115.9
17	H	34.6	Very low	37.6	Very low	172 Å²	172	154.7 Å²	154.7	80%	0.796	81%	0.814	S	S	*	*			trans	-100.5	152.1	-172.2	-116.8	-77	0	0	0	113.8
18	I	33.8	Very low	37.8	Very low	142 Å²	142	157.6 Å²	157.6	73%	0.728	82%	0.824	S	S	*	*			trans	80	126.2	145.8	-52.9	156.8	0	0	0	119.1
19	I	39.8	Very low	38.1	Very low	158 Å²	158	161.2 Å²	161.2	81%	0.81	83%	0.829	S	S	*	*				167.1	130.4	118.4	-76.2	165.4	0	0	0	110
20	Q	33.9	Very low	38.9	Very low	192 Å²	192	163.4 Å²	163.4	90%	0.897	83%	0.832	S	S	*	*			trans	-65.4	138.5	-179.9	-69.9	176.7	-29	0	0	113.7
21	M	36.7	Very low	39.9	Very low	192 Å²	192	157.6 Å²	157.6	95%	0.946	81%	0.812	S	S	*	*			trans	-120.7	127.6	167.2	-85.2	-171.3	162.8	0	0	111.1
22	K	35.4	Very low	41.3	Very low	212 Å²	212	154.4 Å²	154.4	92%	0.922	80%	0.796	S	S	*	*			trans	-89.7	123.7	170.3	-172.6	177.9	-176.5	178.6	0	108.2
23	E	36.9	Very low	43.1	Very low	191 Å²	191	154.3 Å²	154.3	89%	0.893	78%	0.78	S	S	*	*			trans	-87.3	132.2	-172.2	-156.4	176	-159.3	0	0	112
24	P	38.6	Very low	44.8	Very low	113 Å²	113	148.3 Å²	148.3	73%	0.734	76%	0.763	S	S	*	*			trans	-111.4	137.6	165.8	33.6	-21.5	0	0	0	112.7
25	S	39.1	Very low	46.6	Very low	110 Å²	110	146.6 Å²	146.6	77%	0.769	75%	0.751	S	S	*	*			trans	-47.9	131.3	176.3	51.6	0	0	0	0	115.5	I27	S25-I27 PolarHBondContact O-N 3.35Å
26	K	36.3	Very low	48.4	Very low	211 Å²	211	141.9 Å²	141.9	92%	0.917	72%	0.717	S	S	*	*			trans	-73.8	112.9	173	-81.1	177.2	177.3	169.5	0	112.1
27	I	41.7	Very low	50.2	Low	153 Å²	153	138.5 Å²	138.5	79%	0.785	69%	0.692	S	S	*	*			trans	-80.1	130.1	167.1	-65.8	170.1	0	0	0	109.7	S25 K29	S25-I27 PolarHBondContact O-N 3.35Å; I27-K29 PolarHBondContact O-N 3.49Å
28	V	43.1	Very low	52.2	Low	135 Å²	135	130.8 Å²	130.8	82%	0.818	66%	0.657	S	S	*	*			trans	-67.6	115.2	175.4	177.6	0	0	0	0	110.1	K30	V28-K30 PolarHBondContact O-N 3.07Å
29	K	44.4	Very low	54.2	Low	198 Å²	198	128.1 Å²	128.1	86%	0.861	64%	0.644	S	S	*	*			trans	-76	111.8	174.1	-82	-176.6	174.3	-177.5	0	110.4	I27 V31	I27-K29 PolarHBondContact O-N 3.49Å; K29-V31 PolarHBondContact O-N 3.35Å
30	K	54.3	Low	56.1	Low	190 Å²	190	121 Å²	121	83%	0.826	61%	0.608	S	S	*	*			trans	-60.3	125.8	162.5	-88	-179.4	174.5	178.8	0	108.8	V28 N32	V28-K30 PolarHBondContact O-N 3.07Å; K30-N32 PolarHBondContact O-N 3.24Å
31	V	59.3	Low	58.5	Low	67 Å²	67	113.1 Å²	113.1	41%	0.406	57%	0.571	S	S	.	*			trans	-65.6	114.1	171.3	175.6	0	0	0	0	108	K29 I33 I36 T564	K29-V31 PolarHBondContact O-N 3.35Å; V31-I33 PolarHBondContact O-N 3.43Å; V31-I36 HydrophobicContact CG1-CD1 3.59Å; V31-I36 HydrophobicContact CG1-CG1 4.27Å; V31-T564 HydrophobicContact CB-CG2 4.37Å; V31-T564 HydrophobicContact CG1-CG2 3.96Å; V31-T564 HydrophobicContact CG2-CG2 3.71Å
32	N	68.9	Low	60.7	Low	103 Å²	103	107 Å²	107	55%	0.551	55%	0.547	S	S	*	.			trans	-82.1	111.1	173	-90.3	-30.6	0	0	0	108.6	K30 L34 E35 I36	K30-N32 PolarHBondContact O-N 3.24Å; N32-L34 PolarHBondContact O-N 2.97Å; N32-L34 VanDerWaalsContact O-N 3.1Å; N32-E35 HydrophobicContact CB-CB 4.14Å; N32-E35 WeakPolarHBondContact O-CA 3.44Å; N32-E35 WeakPolarHBondContact O-CB 3.45Å; N32-E35 PolarHBondContact O-N 3.22Å; N32-I36 PolarHBondContact O-N 3.17Å
33	I	76.5	Confident	63.1	Low	100 Å²	100	98.6 Å²	98.6	51%	0.513	51%	0.511	S	S	.	.	H	α-helix	trans	-51	-36.3	174.9	-65.4	168.1	0	0	0	111	V31 E35 I36 I37	V31-I33 PolarHBondContact O-N 3.43Å; I33-E35 VanDerWaalsContact C-N 3.25Å; I33-E35 PolarHBondContact O-N 3.17Å; I33-I36 WeakPolarHBondContact O-CB 3.31Å; I33-I36 PolarHBondContact O-N 3.39Å; I33-I36 VanDerWaalsContact O-N 3.13Å; I33-I37 HydrophobicContact CG2-CD1 3.79Å; I33-I37 HydrophobicContact CG2-CG1 4.24Å; I33-I37 WeakPolarHBondContact O-CG1 3.4Å; I33-I37 PolarHBondContact O-N 2.81Å
34	L	72.1	Confident	65.3	Low	97 Å²	97	96 Å²	96	51%	0.508	49%	0.494	S	S	.	.	H	α-helix	trans	-60.1	-33.7	176.3	-171.9	65.9	0	0	0	113	N32 I37 C38	N32-L34 PolarHBondContact O-N 2.97Å; N32-L34 VanDerWaalsContact O-N 3.1Å; L34-I37 PolarHBondContact O-N 3.27Å; L34-C38 VanDerWaalsContact O-CB 3.29Å; L34-C38 WeakPolarHBondContact O-CB 3.41Å; L34-C38 PolarHBondContact O-N 3.08Å; L34-C38 PolarHBondContact O-SG 3.41Å
35	E	74.7	Confident	67.4	Low	97 Å²	97	91 Å²	91	45%	0.453	46%	0.463	S	S	.	.	H	α-helix	trans	-67.6	-45	175.1	-169.2	171.3	-165.9	0	0	110.3	N32 I33 I37 C38 D39	N32-E35 HydrophobicContact CB-CB 4.14Å; N32-E35 WeakPolarHBondContact O-CA 3.44Å; N32-E35 WeakPolarHBondContact O-CB 3.45Å; N32-E35 PolarHBondContact O-N 3.22Å; I33-E35 VanDerWaalsContact C-N 3.25Å; I33-E35 PolarHBondContact O-N 3.17Å; E35-I37 VanDerWaalsContact C-N 3.34Å; E35-I37 PolarHBondContact O-N 3.16Å; E35-C38 PolarHBondContact O-N 3.11Å; E35-D39 WeakPolarHBondContact O-CB 3.32Å; E35-D39 VanDerWaalsContact O-CG 3.32Å; E35-D39 PolarHBondContact O-N 2.95Å
36	I	75.5	Confident	69.4	Low	21 Å²	21	86.2 Å²	86.2	11%	0.108	43%	0.429	C	S	.	.	H	α-helix	trans	-60.3	-45.3	175	-56.7	178.4	0	0	0	110.3	V31 N32 I33 D39 T40 F557 R560	V31-I36 HydrophobicContact CG1-CD1 3.59Å; V31-I36 HydrophobicContact CG1-CG1 4.27Å; N32-I36 PolarHBondContact O-N 3.17Å; I33-I36 WeakPolarHBondContact O-CB 3.31Å; I33-I36 PolarHBondContact O-N 3.39Å; I33-I36 VanDerWaalsContact O-N 3.13Å; I36-D39 PolarHBondContact O-N 3.43Å; I36-T40 WeakPolarHBondContact O-CB 3.41Å; I36-T40 PolarHBondContact O-N 3.38Å; I36-T40 PolarHBondContact O-OG1 3.14Å; I36-F557 HydrophobicContact CB-CE2 4.46Å; I36-F557 HydrophobicContact CG2-CD2 3.8Å; I36-F557 HydrophobicContact CG2-CE2 3.83Å; I36-R560 HydrophobicContact CG2-CB 4.26Å
37	I	78.3	Confident	71.5	Confident	55 Å²	55	78.6 Å²	78.6	28%	0.282	41%	0.405	S	S	.	.	H	α-helix	trans	-62.4	-46	178.6	-68.7	172.4	0	0	0	111.1	I33 L34 E35 D39 T40 F41 V46 F557	I33-I37 HydrophobicContact CG2-CD1 3.79Å; I33-I37 HydrophobicContact CG2-CG1 4.24Å; I33-I37 WeakPolarHBondContact O-CG1 3.4Å; I33-I37 PolarHBondContact O-N 2.81Å; L34-I37 PolarHBondContact O-N 3.27Å; E35-I37 VanDerWaalsContact C-N 3.34Å; E35-I37 PolarHBondContact O-N 3.16Å; I37-D39 VanDerWaalsContact C-N 3.28Å; I37-D39 PolarHBondContact O-N 3.36Å; I37-T40 PolarHBondContact O-N 3.38Å; I37-F41 HydrophobicContact CB-CD2 4.46Å; I37-F41 HydrophobicContact CG2-CD2 3.99Å; I37-F41 PolarHBondContact O-N 3.48Å; I37-V46 HydrophobicContact CG2-CG1 4.11Å; I37-F557 HydrophobicContact CG1-CD2 4.45Å; I37-F557 HydrophobicContact CG1-CE2 3.63Å; I37-F557 HydrophobicContact CG1-CZ 4.17Å
38	C	76.5	Confident	73.3	Confident	9 Å²	9	78.2 Å²	78.2	6%	0.061	39%	0.394	C	S	.	.	H	α-helix	trans	-67.6	-28.4	-178.3	-70.8	0	0	0	0	113.7	L34 E35 V46	L34-C38 VanDerWaalsContact O-CB 3.29Å; L34-C38 WeakPolarHBondContact O-CB 3.41Å; L34-C38 PolarHBondContact O-N 3.08Å; L34-C38 PolarHBondContact O-SG 3.41Å; E35-C38 PolarHBondContact O-N 3.11Å; C38-V46 HydrophobicContact CB-CG1 4.48Å; C38-V46 PolarHBondContact SG-O 3.25Å
39	D	76.8	Confident	75	Confident	87 Å²	87	73.7 Å²	73.7	47%	0.465	36%	0.364	S	S	.	.	H	α-helix	trans	-92.1	-18	-179.3	-69.4	-9.4	0	0	0	112.6	E35 I36 I37	E35-D39 WeakPolarHBondContact O-CB 3.32Å; E35-D39 VanDerWaalsContact O-CG 3.32Å; E35-D39 PolarHBondContact O-N 2.95Å; I36-D39 PolarHBondContact O-N 3.43Å; I37-D39 VanDerWaalsContact C-N 3.28Å; I37-D39 PolarHBondContact O-N 3.36Å
40	T	79.2	Confident	76.3	Confident	9 Å²	9	69.2 Å²	69.2	6%	0.055	34%	0.342	C	S	.	.	H	α-helix	trans	-101.2	-40.9	-176.1	-46.6	0	0	0	0	113.1	I36 I37 E553 E556 F557	I36-T40 WeakPolarHBondContact O-CB 3.41Å; I36-T40 PolarHBondContact O-N 3.38Å; I36-T40 PolarHBondContact O-OG1 3.14Å; I37-T40 PolarHBondContact O-N 3.38Å; T40-E553 WeakPolarHBondContact CG2-O 3.37Å; T40-E553 WeakPolarHBondContact O-CG 3.49Å; T40-E556 HydrophobicContact CG2-CB 3.92Å; T40-E556 HydrophobicContact CG2-CG 3.87Å; T40-F557 HydrophobicContact CG2-CB 3.83Å
41	F	85.1	Confident	77	Confident	25 Å²	25	68.6 Å²	68.6	11%	0.11	33%	0.334	C	S	.	.			trans	-91.1	133.3	-175.5	-71.4	-70.9	0	0	0	112.3	I37 I43 F550 E553 L554 F557	I37-F41 HydrophobicContact CB-CD2 4.46Å; I37-F41 HydrophobicContact CG2-CD2 3.99Å; I37-F41 PolarHBondContact O-N 3.48Å; F41-I43 HydrophobicContact CB-CD1 4.24Å; F41-I43 HydrophobicContact CB-CG1 4.3Å; F41-I43 PolarHBondContact O-N 3.48Å; F41-F550 AromaticContact CD1-CD2 3.68Å; F41-F550 HydrophobicContact CD1-CD2 3.68Å; F41-F550 AromaticContact CD1-CE2 3.38Å; F41-F550 HydrophobicContact CD1-CE2 3.38Å; F41-F550 HydrophobicContact CD1-CZ 4.39Å; F41-F550 AromaticContact CE1-CD2 3.81Å; F41-F550 HydrophobicContact CE1-CD2 3.81Å; F41-F550 AromaticContact CE1-CE2 3.23Å; F41-F550 HydrophobicContact CE1-CE2 3.23Å; F41-F550 AromaticContact CE1-CZ 3.83Å; F41-F550 HydrophobicContact CE1-CZ 3.83Å; F41-F550 HydrophobicContact CG-CE2 4.47Å; F41-F550 HydrophobicContact CZ-CE2 4.24Å; F41-E553 WeakPolarHBondContact CA-OE2 3.47Å; F41-E553 HydrophobicContact CD1-CB 3.89Å; F41-E553 HydrophobicContact CE1-CB 4.15Å; F41-L554 HydrophobicContact CE1-CD1 4.47Å; F41-L554 HydrophobicContact CZ-CD1 4.15Å; F41-F557 HydrophobicContact CE2-CB 4.04Å; F41-F557 HydrophobicContact CE2-CD1 4.26Å; F41-F557 AromaticContact CE2-CD2 3.74Å; F41-F557 HydrophobicContact CE2-CD2 3.74Å; F41-F557 HydrophobicContact CE2-CE2 4.29Å; F41-F557 AromaticContact CE2-CG 3.73Å; F41-F557 HydrophobicContact CE2-CG 3.73Å; F41-F557 HydrophobicContact CZ-CB 3.89Å; F41-F557 HydrophobicContact CZ-CD1 4.24Å; F41-F557 HydrophobicContact CZ-CD2 4.39Å; F41-F557 AromaticContact CZ-CG 3.91Å; F41-F557 HydrophobicContact CZ-CG 3.91Å
42	S	83	Confident	77.8	Confident	64 Å²	64	67.2 Å²	67.2	45%	0.448	33%	0.334	S	S	.	.			trans	-81.2	9.3	177.9	66	0	0	0	0	114.2	R44 E553	S42-R44 PolarHBondContact O-N 2.95Å; S42-E553 WeakPolarHBondContact CB-OE1 3.49Å; S42-E553 PolarHBondContact N-OE2 3.41Å; S42-E553 VanDerWaalsContact OG-CD 3.26Å; S42-E553 PolarHBondContact OG-OE1 3.04Å; S42-E553 PolarHBondContact OG-OE2 3.43Å
43	I	84.4	Confident	78.5	Confident	35 Å²	35	65.6 Å²	65.6	18%	0.179	33%	0.329	C	S	.	.			trans	-53.9	124.6	179	-68.8	169.8	0	0	0	110.6	F41 G45 V46 I544 F550	F41-I43 HydrophobicContact CB-CD1 4.24Å; F41-I43 HydrophobicContact CB-CG1 4.3Å; F41-I43 PolarHBondContact O-N 3.48Å; I43-G45 PolarHBondContact O-N 3.39Å; I43-V46 HydrophobicContact CB-CB 4.17Å; I43-V46 HydrophobicContact CB-CG2 3.72Å; I43-V46 HydrophobicContact CG2-CB 4.13Å; I43-V46 HydrophobicContact CG2-CG2 3.33Å; I43-V46 PolarHBondContact O-N 3.48Å; I43-I544 HydrophobicContact CB-CG2 3.98Å; I43-I544 HydrophobicContact CD1-CG2 4.39Å; I43-I544 HydrophobicContact CG1-CG2 3.86Å; I43-I544 HydrophobicContact CG2-CG2 3.18Å; I43-F550 HydrophobicContact CD1-CE2 4.49Å
44	R	84.1	Confident	78.8	Confident	137 Å²	137	66.2 Å²	66.2	52%	0.517	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	126.5	177	-68.5	-179	-176.9	161.5	5.7	110.1	S42 V64 S541 I544	S42-R44 PolarHBondContact O-N 2.95Å; R44-V64 WeakPolarHBondContact O-CG2 3.38Å; R44-S541 PolarHBondContact NH1-O 3.27Å; R44-I544 WeakPolarHBondContact CB-O 3.37Å; R44-I544 PolarHBondContact N-O 2.91Å
45	G	81.5	Confident	79.5	Confident	8 Å²	8	68.9 Å²	68.9	8%	0.082	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	-24.4	178.4	0	0	0	0	0	114.7	I43 A47 R48 M49	I43-G45 PolarHBondContact O-N 3.39Å; G45-A47 PolarHBondContact O-N 3.14Å; G45-R48 WeakPolarHBondContact O-CB 3.36Å; G45-R48 PolarHBondContact O-N 3.02Å; G45-M49 PolarHBondContact O-N 3.48Å
46	V	82.8	Confident	80	Confident	9 Å²	9	68 Å²	68	6%	0.055	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-62.6	-46.9	-178.9	166.1	0	0	0	0	111.6	I37 C38 I43 R48 M49 V64	I37-V46 HydrophobicContact CG2-CG1 4.11Å; C38-V46 HydrophobicContact CB-CG1 4.48Å; C38-V46 PolarHBondContact SG-O 3.25Å; I43-V46 HydrophobicContact CB-CB 4.17Å; I43-V46 HydrophobicContact CB-CG2 3.72Å; I43-V46 HydrophobicContact CG2-CB 4.13Å; I43-V46 HydrophobicContact CG2-CG2 3.33Å; I43-V46 PolarHBondContact O-N 3.48Å; V46-R48 PolarHBondContact O-N 2.9Å; V46-R48 VanDerWaalsContact O-N 3.14Å; V46-M49 HydrophobicContact CB-CE 3.87Å; V46-M49 HydrophobicContact CG1-CE 3.82Å; V46-M49 HydrophobicContact CG2-CE 3.64Å; V46-M49 WeakPolarHBondContact O-CB 3.34Å; V46-M49 PolarHBondContact O-N 2.75Å; V46-V64 HydrophobicContact CG2-CG1 4.45Å
47	A	78.5	Confident	80.4	Confident	52 Å²	52	72.6 Å²	72.6	43%	0.43	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-61.3	-25	176.1	0	0	0	0	0	113.7	G45	G45-A47 PolarHBondContact O-N 3.14Å
48	R	79.7	Confident	80.8	Confident	145 Å²	145	71.7 Å²	71.7	55%	0.547	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-81.5	-18.5	178.8	-64.5	-174.5	179	-173.5	-2	112.7	G45 V46 R50 R51 W60	G45-R48 WeakPolarHBondContact O-CB 3.36Å; G45-R48 PolarHBondContact O-N 3.02Å; V46-R48 PolarHBondContact O-N 2.9Å; V46-R48 VanDerWaalsContact O-N 3.14Å; R48-R50 PolarHBondContact O-N 3.43Å; R48-R51 PolarHBondContact O-N 2.94Å; R48-R51 VanDerWaalsContact O-O 3.11Å; R48-W60 HydrophobicContact CB-CB 4.48Å; R48-W60 HydrophobicContact CB-CD2 3.8Å; R48-W60 HydrophobicContact CB-CE3 4.41Å; R48-W60 HydrophobicContact CB-CG 3.76Å; R48-W60 HydrophobicContact CG-CD2 4.42Å
49	M	79	Confident	81.5	Confident	39 Å²	39	75.4 Å²	75.4	19%	0.192	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-62.2	-22.6	172.4	-62.8	-165.9	-76.9	0	0	112.7	G45 V46 R57 W60 F61	G45-M49 PolarHBondContact O-N 3.48Å; V46-M49 HydrophobicContact CB-CE 3.87Å; V46-M49 HydrophobicContact CG1-CE 3.82Å; V46-M49 HydrophobicContact CG2-CE 3.64Å; V46-M49 WeakPolarHBondContact O-CB 3.34Å; V46-M49 PolarHBondContact O-N 2.75Å; M49-R57 WeakPolarHBondContact O-CD 3.38Å; M49-R57 WeakPolarHBondContact O-CG 3.2Å; M49-W60 HydrophobicContact CG-CB 4.41Å; M49-F61 HydrophobicContact SD-CB 4.27Å; M49-F61 HydrophobicContact SD-CD2 3.91Å
50	R	73	Confident	82	Confident	105 Å²	105	74.1 Å²	74.1	40%	0.396	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-85	-27.6	178.6	-168.1	173.7	73.8	87.3	-15.5	113.9	R48	R48-R50 PolarHBondContact O-N 3.43Å
51	R	68.9	Low	82.5	Confident	176 Å²	176	79.1 Å²	79.1	66%	0.664	39%	0.394	S	S	*	.	S	Bend	trans	-115.5	128.2	-166.8	-65.3	-177.1	-174.7	164.4	3.4	111.1	R48	R48-R51 PolarHBondContact O-N 2.94Å; R48-R51 VanDerWaalsContact O-O 3.11Å
52	G	74.8	Confident	82.7	Confident	38 Å²	38	81 Å²	81	39%	0.392	41%	0.41	S	S	.	.	S	Bend	trans	117.2	-179.2	173.1	0	0	0	0	0	115	R57	G52-R57 VanDerWaalsContact O-CZ 3.24Å; G52-R57 PolarHBondContact O-NE 3.22Å; G52-R57 PolarHBondContact O-NH2 3.43Å
53	P	84.1	Confident	83.1	Confident	70 Å²	70	81.9 Å²	81.9	46%	0.455	41%	0.406	S	S	.	.			trans	-64.7	156	176.3	27.9	-35.4	0	0	0	111.8	F55 L56 R57	P53-F55 PolarHBondContact O-N 3.47Å; P53-L56 HydrophobicContact CG-CB 4.07Å; P53-L56 HydrophobicContact CG-CD1 3.74Å; P53-L56 HydrophobicContact CG-CG 3.89Å; P53-L56 PolarHBondContact O-N 3.44Å; P53-L56 VanDerWaalsContact O-N 3.11Å; P53-R57 PolarHBondContact O-N 2.88Å
54	P	83.3	Confident	83.4	Confident	112 Å²	112	81.2 Å²	81.2	73%	0.727	40%	0.403	S	S	*	.	H	α-helix	trans	-56.6	-35.8	-175.3	22.5	-33.7	0	0	0	113.1	R57 G58	P54-R57 PolarHBondContact O-N 3.33Å; P54-G58 PolarHBondContact O-N 2.89Å
55	F	86	Confident	83.8	Confident	154 Å²	154	79 Å²	79	68%	0.675	40%	0.401	S	S	*	.	H	α-helix	trans	-59.4	-50	175.8	176.7	-100.8	0	0	0	112.9	P53 R57 G58 L59	P53-F55 PolarHBondContact O-N 3.47Å; F55-R57 VanDerWaalsContact C-N 3.29Å; F55-R57 PolarHBondContact O-N 3.22Å; F55-G58 PolarHBondContact O-N 2.95Å; F55-L59 HydrophobicContact CE1-CD1 4.41Å; F55-L59 PolarHBondContact O-N 2.96Å
56	L	85.1	Confident	84.4	Confident	78 Å²	78	84.3 Å²	84.3	41%	0.408	43%	0.426	S	S	.	.	H	α-helix	trans	-66.4	-33	179.5	-72.8	178.6	0	0	0	111.7	P53 L59 W60	P53-L56 HydrophobicContact CG-CB 4.07Å; P53-L56 HydrophobicContact CG-CD1 3.74Å; P53-L56 HydrophobicContact CG-CG 3.89Å; P53-L56 PolarHBondContact O-N 3.44Å; P53-L56 VanDerWaalsContact O-N 3.11Å; L56-L59 PolarHBondContact O-N 3.43Å; L56-W60 PolarHBondContact O-N 2.97Å
57	R	85.3	Confident	84.9	Confident	117 Å²	117	86.8 Å²	86.8	44%	0.442	44%	0.438	S	S	.	.	H	α-helix	trans	-64	-44.7	173.9	-62.5	-179.4	-164.4	-179.7	3.6	111.6	M49 G52 P53 P54 F55 L59 W60 F61	M49-R57 WeakPolarHBondContact O-CD 3.38Å; M49-R57 WeakPolarHBondContact O-CG 3.2Å; G52-R57 VanDerWaalsContact O-CZ 3.24Å; G52-R57 PolarHBondContact O-NE 3.22Å; G52-R57 PolarHBondContact O-NH2 3.43Å; P53-R57 PolarHBondContact O-N 2.88Å; P54-R57 PolarHBondContact O-N 3.33Å; F55-R57 VanDerWaalsContact C-N 3.29Å; F55-R57 PolarHBondContact O-N 3.22Å; R57-L59 VanDerWaalsContact C-N 3.33Å; R57-L59 PolarHBondContact O-N 3.2Å; R57-W60 PolarHBondContact O-N 2.96Å; R57-F61 WeakPolarHBondContact O-CB 3.42Å; R57-F61 PolarHBondContact O-N 2.76Å
58	G	86.9	Confident	85.5	Confident	36 Å²	36	86.5 Å²	86.5	37%	0.371	43%	0.431	S	S	.	.	H	α-helix	trans	-59.8	-43.3	174.6	0	0	0	0	0	112	P54 F55 F61 C62	P54-G58 PolarHBondContact O-N 2.89Å; F55-G58 PolarHBondContact O-N 2.95Å; G58-F61 PolarHBondContact O-N 3.46Å; G58-C62 PolarHBondContact O-N 3.31Å; G58-C62 PolarHBondContact O-SG 3.38Å; G58-C62 VanDerWaalsContact O-SG 3.34Å
59	L	89.9	Confident	86.2	Confident	88 Å²	88	83.6 Å²	83.6	46%	0.461	43%	0.429	S	S	.	.	H	α-helix	trans	-62.2	-46.4	176.7	-171.3	151.3	0	0	0	112.1	F55 L56 R57 F61 C62 F63	F55-L59 HydrophobicContact CE1-CD1 4.41Å; F55-L59 PolarHBondContact O-N 2.96Å; L56-L59 PolarHBondContact O-N 3.43Å; R57-L59 VanDerWaalsContact C-N 3.33Å; R57-L59 PolarHBondContact O-N 3.2Å; L59-F61 VanDerWaalsContact C-N 3.35Å; L59-F61 PolarHBondContact O-N 2.9Å; L59-C62 PolarHBondContact O-N 3.13Å; L59-F63 WeakPolarHBondContact O-CB 3.2Å; L59-F63 PolarHBondContact O-N 2.84Å
60	W	87.6	Confident	87	Confident	60 Å²	60	83.3 Å²	83.3	23%	0.227	44%	0.436	C	S	.	.	H	α-helix	trans	-63.3	-40	175.6	-81.2	107.6	0	0	0	112.3	R48 M49 L56 R57 F63 V64	R48-W60 HydrophobicContact CB-CB 4.48Å; R48-W60 HydrophobicContact CB-CD2 3.8Å; R48-W60 HydrophobicContact CB-CE3 4.41Å; R48-W60 HydrophobicContact CB-CG 3.76Å; R48-W60 HydrophobicContact CG-CD2 4.42Å; M49-W60 HydrophobicContact CG-CB 4.41Å; L56-W60 PolarHBondContact O-N 2.97Å; R57-W60 PolarHBondContact O-N 2.96Å; W60-F63 HydrophobicContact CE3-CD1 4.05Å; W60-F63 AromaticContact CZ3-CD1 3.94Å; W60-F63 HydrophobicContact CZ3-CD1 3.94Å; W60-F63 HydrophobicContact CZ3-CE1 4.17Å; W60-F63 PolarHBondContact O-N 3.31Å; W60-V64 WeakPolarHBondContact O-CG2 3.41Å; W60-V64 PolarHBondContact O-N 2.96Å
61	F	88.7	Confident	88	Confident	114 Å²	114	79.1 Å²	79.1	50%	0.5	42%	0.421	S	S	.	.	H	α-helix	trans	-61.6	-49.3	175.6	177.1	-97.9	0	0	0	111.7	M49 R57 G58 L59 F63 V64 L65	M49-F61 HydrophobicContact SD-CB 4.27Å; M49-F61 HydrophobicContact SD-CD2 3.91Å; R57-F61 WeakPolarHBondContact O-CB 3.42Å; R57-F61 PolarHBondContact O-N 2.76Å; G58-F61 PolarHBondContact O-N 3.46Å; L59-F61 VanDerWaalsContact C-N 3.35Å; L59-F61 PolarHBondContact O-N 2.9Å; F61-F63 VanDerWaalsContact C-N 3.33Å; F61-F63 PolarHBondContact O-N 2.65Å; F61-V64 PolarHBondContact O-N 3.1Å; F61-L65 HydrophobicContact CE1-CD2 4.41Å; F61-L65 WeakPolarHBondContact O-CB 3.44Å; F61-L65 PolarHBondContact O-N 2.89Å
62	C	91.4	Very high	89.2	Confident	64 Å²	64	76.4 Å²	76.4	43%	0.432	42%	0.419	S	S	.	.	H	α-helix	trans	-60.8	-41.5	176.1	-69.6	0	0	0	0	111.9	G58 L59 L65 I66	G58-C62 PolarHBondContact O-N 3.31Å; G58-C62 PolarHBondContact O-SG 3.38Å; G58-C62 VanDerWaalsContact O-SG 3.34Å; L59-C62 PolarHBondContact O-N 3.13Å; C62-L65 PolarHBondContact O-N 3.08Å; C62-I66 WeakPolarHBondContact O-CB 3.29Å; C62-I66 WeakPolarHBondContact O-CD1 3.49Å; C62-I66 WeakPolarHBondContact O-CG1 3.49Å; C62-I66 PolarHBondContact O-N 2.91Å
63	F	90.8	Very high	90.2	Very high	83 Å²	83	79.4 Å²	79.4	36%	0.364	43%	0.426	S	S	.	.	H	α-helix	trans	-59.9	-51.1	176	173.6	-95.6	0	0	0	111.8	L59 W60 F61 L65 I66 M67	L59-F63 WeakPolarHBondContact O-CB 3.2Å; L59-F63 PolarHBondContact O-N 2.84Å; W60-F63 HydrophobicContact CE3-CD1 4.05Å; W60-F63 AromaticContact CZ3-CD1 3.94Å; W60-F63 HydrophobicContact CZ3-CD1 3.94Å; W60-F63 HydrophobicContact CZ3-CE1 4.17Å; W60-F63 PolarHBondContact O-N 3.31Å; F61-F63 VanDerWaalsContact C-N 3.33Å; F61-F63 PolarHBondContact O-N 2.65Å; F63-L65 VanDerWaalsContact C-N 3.31Å; F63-L65 PolarHBondContact O-N 2.91Å; F63-I66 PolarHBondContact O-N 3.37Å; F63-M67 HydrophobicContact CD1-CG 4.48Å; F63-M67 HydrophobicContact CD2-CG 4.16Å; F63-M67 HydrophobicContact CE1-CG 4.12Å; F63-M67 HydrophobicContact CE2-CE 4.16Å; F63-M67 HydrophobicContact CE2-CG 3.77Å; F63-M67 HydrophobicContact CE2-SD 4.39Å; F63-M67 HydrophobicContact CZ-CE 3.95Å; F63-M67 HydrophobicContact CZ-CG 3.75Å; F63-M67 WeakPolarHBondContact O-CB 3.45Å; F63-M67 VanDerWaalsContact O-CG 3.27Å; F63-M67 WeakPolarHBondContact O-CG 3.29Å; F63-M67 PolarHBondContact O-N 3.5Å
64	V	90.6	Very high	90.8	Very high	20 Å²	20	78.8 Å²	78.8	12%	0.121	42%	0.421	C	S	.	.	H	α-helix	trans	-61	-42.3	177.9	174.7	0	0	0	0	110.6	R44 V46 W60 F61 T68	R44-V64 WeakPolarHBondContact O-CG2 3.38Å; V46-V64 HydrophobicContact CG2-CG1 4.45Å; W60-V64 WeakPolarHBondContact O-CG2 3.41Å; W60-V64 PolarHBondContact O-N 2.96Å; F61-V64 PolarHBondContact O-N 3.1Å; V64-T68 VanDerWaalsContact O-CB 3.27Å; V64-T68 WeakPolarHBondContact O-CB 3.32Å; V64-T68 PolarHBondContact O-N 2.81Å; V64-T68 PolarHBondContact O-OG1 3.01Å
65	L	92.2	Very high	91.3	Very high	90 Å²	90	74.9 Å²	74.9	47%	0.471	40%	0.395	S	S	.	.	H	α-helix	trans	-61.6	-51.5	178.4	-176.9	68.5	0	0	0	112	F61 C62 F63 M67 T68 V69	F61-L65 HydrophobicContact CE1-CD2 4.41Å; F61-L65 WeakPolarHBondContact O-CB 3.44Å; F61-L65 PolarHBondContact O-N 2.89Å; C62-L65 PolarHBondContact O-N 3.08Å; F63-L65 VanDerWaalsContact C-N 3.31Å; F63-L65 PolarHBondContact O-N 2.91Å; L65-M67 PolarHBondContact O-N 3.18Å; L65-T68 PolarHBondContact O-N 3.24Å; L65-V69 HydrophobicContact CD1-CG2 4.48Å; L65-V69 WeakPolarHBondContact O-CG2 3.37Å; L65-V69 PolarHBondContact O-N 3.4Å
66	I	93.5	Very high	91.8	Very high	120 Å²	120	73.9 Å²	73.9	62%	0.615	39%	0.388	S	S	*	.	H	α-helix	trans	-61.3	-46.1	-179.6	-69.4	165.7	0	0	0	110.5	C62 F63 T68 V69 G70	C62-I66 WeakPolarHBondContact O-CB 3.29Å; C62-I66 WeakPolarHBondContact O-CD1 3.49Å; C62-I66 WeakPolarHBondContact O-CG1 3.49Å; C62-I66 PolarHBondContact O-N 2.91Å; F63-I66 PolarHBondContact O-N 3.37Å; I66-T68 VanDerWaalsContact C-N 3.29Å; I66-T68 PolarHBondContact O-N 3.24Å; I66-V69 PolarHBondContact O-N 3.33Å; I66-G70 PolarHBondContact O-N 2.98Å
67	M	93.2	Very high	92.3	Very high	62 Å²	62	74.1 Å²	74.1	31%	0.305	39%	0.389	S	S	.	.	H	α-helix	trans	-64.6	-35.5	178.4	-70.1	-63.7	-106	0	0	112	F63 L65 L71	F63-M67 HydrophobicContact CD1-CG 4.48Å; F63-M67 HydrophobicContact CD2-CG 4.16Å; F63-M67 HydrophobicContact CE1-CG 4.12Å; F63-M67 HydrophobicContact CE2-CE 4.16Å; F63-M67 HydrophobicContact CE2-CG 3.77Å; F63-M67 HydrophobicContact CE2-SD 4.39Å; F63-M67 HydrophobicContact CZ-CE 3.95Å; F63-M67 HydrophobicContact CZ-CG 3.75Å; F63-M67 WeakPolarHBondContact O-CB 3.45Å; F63-M67 VanDerWaalsContact O-CG 3.27Å; F63-M67 WeakPolarHBondContact O-CG 3.29Å; F63-M67 PolarHBondContact O-N 3.5Å; L65-M67 PolarHBondContact O-N 3.18Å; M67-L71 VanDerWaalsContact O-CB 3.3Å; M67-L71 WeakPolarHBondContact O-CB 3.32Å; M67-L71 PolarHBondContact O-N 2.98Å
68	T	92.1	Very high	92.7	Very high	45 Å²	45	69.4 Å²	69.4	28%	0.276	37%	0.372	S	S	.	.	H	α-helix	trans	-69.2	-45.8	176.3	-54.3	0	0	0	0	111.9	V64 L65 I66 G70 L71 L72 I544	V64-T68 VanDerWaalsContact O-CB 3.27Å; V64-T68 WeakPolarHBondContact O-CB 3.32Å; V64-T68 PolarHBondContact O-N 2.81Å; V64-T68 PolarHBondContact O-OG1 3.01Å; L65-T68 PolarHBondContact O-N 3.24Å; I66-T68 VanDerWaalsContact C-N 3.29Å; I66-T68 PolarHBondContact O-N 3.24Å; T68-G70 VanDerWaalsContact C-N 3.35Å; T68-L71 PolarHBondContact O-N 2.8Å; T68-L72 HydrophobicContact CG2-CD1 4.43Å; T68-L72 WeakPolarHBondContact O-CG 3.22Å; T68-L72 PolarHBondContact O-N 3.31Å; T68-I544 HydrophobicContact CG2-CD1 4Å; T68-I544 WeakPolarHBondContact OG1-CD1 3.39Å
69	V	94.9	Very high	93.1	Very high	85 Å²	85	70.1 Å²	70.1	52%	0.515	37%	0.37	S	S	.	.	H	α-helix	trans	-62.7	-43.7	176	173.2	0	0	0	0	110.7	L65 I66 L71 L72 L73	L65-V69 HydrophobicContact CD1-CG2 4.48Å; L65-V69 WeakPolarHBondContact O-CG2 3.37Å; L65-V69 PolarHBondContact O-N 3.4Å; I66-V69 PolarHBondContact O-N 3.33Å; V69-L71 PolarHBondContact O-N 3.17Å; V69-L72 PolarHBondContact O-N 3.11Å; V69-L73 WeakPolarHBondContact O-CB 3.36Å; V69-L73 PolarHBondContact O-N 3.47Å
70	G	94.5	Very high	93.3	Very high	32 Å²	32	70.1 Å²	70.1	33%	0.33	37%	0.367	S	S	.	.	H	α-helix	trans	-61.8	-41.7	175.8	0	0	0	0	0	112.9	I66 T68 T74	I66-G70 PolarHBondContact O-N 2.98Å; T68-G70 VanDerWaalsContact C-N 3.35Å; G70-T74 WeakPolarHBondContact O-CB 3.31Å; G70-T74 VanDerWaalsContact O-CG2 3.31Å; G70-T74 WeakPolarHBondContact O-CG2 3.36Å; G70-T74 PolarHBondContact O-N 3.17Å; G70-T74 PolarHBondContact O-OG1 3.43Å
71	L	94.3	Very high	93.6	Very high	18 Å²	18	72.1 Å²	72.1	9%	0.094	38%	0.382	C	S	.	.	H	α-helix	trans	-61.5	-47.3	174.5	177.6	63.7	0	0	0	111.5	M67 T68 V69 T74 T75 L539 I544	M67-L71 VanDerWaalsContact O-CB 3.3Å; M67-L71 WeakPolarHBondContact O-CB 3.32Å; M67-L71 PolarHBondContact O-N 2.98Å; T68-L71 PolarHBondContact O-N 2.8Å; V69-L71 PolarHBondContact O-N 3.17Å; L71-T74 PolarHBondContact O-OG1 2.9Å; L71-T74 VanDerWaalsContact O-OG1 3.12Å; L71-T75 WeakPolarHBondContact O-CB 3.48Å; L71-T75 PolarHBondContact O-N 3.36Å; L71-T75 PolarHBondContact O-OG1 2.84Å; L71-L539 HydrophobicContact CD1-CB 3.63Å; L71-I544 HydrophobicContact CB-CD1 4.45Å; L71-I544 HydrophobicContact CD2-CD1 3.5Å; L71-I544 HydrophobicContact CD2-CG1 4.09Å
72	L	94.7	Very high	93.8	Very high	118 Å²	118	68.9 Å²	68.9	62%	0.618	37%	0.367	S	S	*	.	H	α-helix	trans	-61.8	-45.7	179.5	-72.1	175.3	0	0	0	111.6	T68 V69 Y76	T68-L72 HydrophobicContact CG2-CD1 4.43Å; T68-L72 WeakPolarHBondContact O-CG 3.22Å; T68-L72 PolarHBondContact O-N 3.31Å; V69-L72 PolarHBondContact O-N 3.11Å; L72-Y76 VanDerWaalsContact O-CB 3.27Å; L72-Y76 WeakPolarHBondContact O-CB 3.32Å; L72-Y76 PolarHBondContact O-N 2.9Å
73	L	96	Very high	93.8	Very high	101 Å²	101	70.5 Å²	70.5	53%	0.529	37%	0.371	S	S	.	.	H	α-helix	trans	-64.1	-48.2	179.3	-179.4	64.5	0	0	0	112	V69 T75 Y76 L77	V69-L73 WeakPolarHBondContact O-CB 3.36Å; V69-L73 PolarHBondContact O-N 3.47Å; L73-T75 PolarHBondContact O-N 3.46Å; L73-Y76 WeakPolarHBondContact O-CB 3.49Å; L73-Y76 PolarHBondContact O-N 2.62Å; L73-L77 HydrophobicContact CG-CD1 4.4Å; L73-L77 WeakPolarHBondContact O-CG 3.23Å; L73-L77 PolarHBondContact O-N 3.5Å
74	T	95.1	Very high	93.9	Very high	57 Å²	57	69.4 Å²	69.4	35%	0.35	37%	0.371	S	S	.	.	H	α-helix	trans	-66.4	-38.5	-179.7	50.9	0	0	0	0	112.1	G70 L71 L77 L78	G70-T74 WeakPolarHBondContact O-CB 3.31Å; G70-T74 VanDerWaalsContact O-CG2 3.31Å; G70-T74 WeakPolarHBondContact O-CG2 3.36Å; G70-T74 PolarHBondContact O-N 3.17Å; G70-T74 PolarHBondContact O-OG1 3.43Å; L71-T74 PolarHBondContact O-OG1 2.9Å; L71-T74 VanDerWaalsContact O-OG1 3.12Å; T74-L77 PolarHBondContact O-N 3.41Å; T74-L78 VanDerWaalsContact O-CB 3.3Å; T74-L78 WeakPolarHBondContact O-CB 3.34Å; T74-L78 PolarHBondContact O-N 2.75Å
75	T	94.8	Very high	94	Very high	31 Å²	31	72 Å²	72	19%	0.19	38%	0.379	C	S	.	.	H	α-helix	trans	-64.1	-42.9	173.6	-57	0	0	0	0	110.8	L71 L73 L78 V79 I536	L71-T75 WeakPolarHBondContact O-CB 3.48Å; L71-T75 PolarHBondContact O-N 3.36Å; L71-T75 PolarHBondContact O-OG1 2.84Å; L73-T75 PolarHBondContact O-N 3.46Å; T75-L78 PolarHBondContact O-N 3.39Å; T75-V79 HydrophobicContact CG2-CG2 4.43Å; T75-V79 WeakPolarHBondContact O-CB 3.34Å; T75-V79 VanDerWaalsContact O-CG2 3.25Å; T75-V79 WeakPolarHBondContact O-CG2 3.41Å; T75-V79 PolarHBondContact O-N 3.16Å; T75-I536 HydrophobicContact CG2-CD1 4.06Å; T75-I536 HydrophobicContact CG2-CG1 4.15Å; T75-I536 HydrophobicContact CG2-CG2 4.39Å
76	Y	95.8	Very high	94	Very high	133 Å²	133	72.3 Å²	72.3	52%	0.522	38%	0.381	S	S	.	.	H	α-helix	trans	-58.9	-50.3	176.2	170.9	-97.3	0	0	0	112	L72 L73 L78 V79 Q80	L72-Y76 VanDerWaalsContact O-CB 3.27Å; L72-Y76 WeakPolarHBondContact O-CB 3.32Å; L72-Y76 PolarHBondContact O-N 2.9Å; L73-Y76 WeakPolarHBondContact O-CB 3.49Å; L73-Y76 PolarHBondContact O-N 2.62Å; Y76-L78 VanDerWaalsContact C-N 3.34Å; Y76-L78 PolarHBondContact O-N 2.98Å; Y76-V79 PolarHBondContact O-N 3.41Å; Y76-Q80 HydrophobicContact CD1-CG 4.48Å; Y76-Q80 VanDerWaalsContact CE1-CD 3.45Å; Y76-Q80 HydrophobicContact CE1-CG 4.04Å; Y76-Q80 HydrophobicContact CE2-CG 4.28Å; Y76-Q80 VanDerWaalsContact CZ-CD 3.44Å; Y76-Q80 WeakPolarHBondContact O-CG 3.34Å; Y76-Q80 PolarHBondContact O-N 3.43Å; Y76-Q80 PolarHBondContact OH-NE2 3.07Å
77	L	95.6	Very high	94	Very high	83 Å²	83	68.1 Å²	68.1	44%	0.435	36%	0.361	S	S	.	.	H	α-helix	trans	-60.4	-44.2	177.8	-68.5	173.9	0	0	0	111.6	L73 T74 V79 Q80 D81	L73-L77 HydrophobicContact CG-CD1 4.4Å; L73-L77 WeakPolarHBondContact O-CG 3.23Å; L73-L77 PolarHBondContact O-N 3.5Å; T74-L77 PolarHBondContact O-N 3.41Å; L77-V79 VanDerWaalsContact C-N 3.29Å; L77-V79 PolarHBondContact O-N 2.98Å; L77-Q80 WeakPolarHBondContact O-CB 3.5Å; L77-Q80 PolarHBondContact O-N 3.24Å; L77-Q80 VanDerWaalsContact O-N 3.11Å; L77-D81 PolarHBondContact O-N 3.42Å
78	L	95.1	Very high	94	Very high	17 Å²	17	67.4 Å²	67.4	9%	0.089	36%	0.362	C	S	.	.	H	α-helix	trans	-64.2	-34.9	178.6	-171.9	70.6	0	0	0	112.4	T74 T75 Y76 Y82 L527 L532 R535 I536 L539	T74-L78 VanDerWaalsContact O-CB 3.3Å; T74-L78 WeakPolarHBondContact O-CB 3.34Å; T74-L78 PolarHBondContact O-N 2.75Å; T75-L78 PolarHBondContact O-N 3.39Å; Y76-L78 VanDerWaalsContact C-N 3.34Å; Y76-L78 PolarHBondContact O-N 2.98Å; L78-Y82 WeakPolarHBondContact O-CB 3.22Å; L78-Y82 PolarHBondContact O-N 3.4Å; L78-L527 HydrophobicContact CD1-CD2 3.96Å; L78-L527 HydrophobicContact CG-CD2 4.35Å; L78-L532 HydrophobicContact CD2-CD1 3.78Å; L78-L532 HydrophobicContact CG-CD1 3.68Å; L78-R535 HydrophobicContact CD2-CB 3.57Å; L78-I536 HydrophobicContact CD2-CG1 3.91Å; L78-L539 HydrophobicContact CD2-CD1 4.46Å
79	V	94.6	Very high	94.2	Very high	52 Å²	52	68.6 Å²	68.6	32%	0.315	37%	0.369	S	S	.	.	H	α-helix	trans	-69.6	-39.1	173.1	170.9	0	0	0	0	110.7	T75 Y76 L77 Y82 L83 I536	T75-V79 HydrophobicContact CG2-CG2 4.43Å; T75-V79 WeakPolarHBondContact O-CB 3.34Å; T75-V79 VanDerWaalsContact O-CG2 3.25Å; T75-V79 WeakPolarHBondContact O-CG2 3.41Å; T75-V79 PolarHBondContact O-N 3.16Å; Y76-V79 PolarHBondContact O-N 3.41Å; L77-V79 VanDerWaalsContact C-N 3.29Å; L77-V79 PolarHBondContact O-N 2.98Å; V79-Y82 WeakPolarHBondContact O-CB 3.34Å; V79-Y82 PolarHBondContact O-N 3.48Å; V79-L83 HydrophobicContact CG1-CD1 4.03Å; V79-L83 HydrophobicContact CG1-CG 4.39Å; V79-L83 VanDerWaalsContact O-CG 3.27Å; V79-L83 WeakPolarHBondContact O-CG 3.36Å; V79-L83 PolarHBondContact O-N 3.3Å; V79-I536 HydrophobicContact CG2-CD1 4.42Å
80	Q	94.1	Very high	94.2	Very high	88 Å²	88	67.8 Å²	67.8	41%	0.411	36%	0.362	S	S	.	.	H	α-helix	trans	-60.6	-47.5	173.2	-70.3	-162.3	-61.1	0	0	111.4	Y76 L77 Y82 L83 V84	Y76-Q80 HydrophobicContact CD1-CG 4.48Å; Y76-Q80 VanDerWaalsContact CE1-CD 3.45Å; Y76-Q80 HydrophobicContact CE1-CG 4.04Å; Y76-Q80 HydrophobicContact CE2-CG 4.28Å; Y76-Q80 VanDerWaalsContact CZ-CD 3.44Å; Y76-Q80 WeakPolarHBondContact O-CG 3.34Å; Y76-Q80 PolarHBondContact O-N 3.43Å; Y76-Q80 PolarHBondContact OH-NE2 3.07Å; L77-Q80 WeakPolarHBondContact O-CB 3.5Å; L77-Q80 PolarHBondContact O-N 3.24Å; L77-Q80 VanDerWaalsContact O-N 3.11Å; Q80-Y82 VanDerWaalsContact C-N 3.26Å; Q80-Y82 PolarHBondContact O-N 3.06Å; Q80-L83 PolarHBondContact O-N 3.46Å; Q80-L83 VanDerWaalsContact O-N 3.07Å; Q80-V84 PolarHBondContact O-N 3.14Å
81	D	92.9	Very high	94.2	Very high	102 Å²	102	70.7 Å²	70.7	55%	0.545	37%	0.369	S	S	.	.	H	α-helix	trans	-59.3	-38.1	176.5	-68.5	-15.6	0	0	0	111.7	L77 V84	L77-D81 PolarHBondContact O-N 3.42Å; D81-V84 PolarHBondContact O-N 3.34Å
82	Y	92.9	Very high	94.3	Very high	46 Å²	46	73.2 Å²	73.2	18%	0.18	38%	0.38	C	S	.	.	H	α-helix	trans	-63.4	-42	174.4	176.2	-106.5	0	0	0	112.5	L78 V79 Q80 V84 Y85 L527 L532	L78-Y82 WeakPolarHBondContact O-CB 3.22Å; L78-Y82 PolarHBondContact O-N 3.4Å; V79-Y82 WeakPolarHBondContact O-CB 3.34Å; V79-Y82 PolarHBondContact O-N 3.48Å; Q80-Y82 VanDerWaalsContact C-N 3.26Å; Q80-Y82 PolarHBondContact O-N 3.06Å; Y82-V84 PolarHBondContact O-N 2.9Å; Y82-Y85 PolarHBondContact O-N 2.9Å; Y82-Y85 VanDerWaalsContact O-N 3.16Å; Y82-L527 HydrophobicContact CD2-CB 4.49Å; Y82-L527 HydrophobicContact CD2-CD2 4.32Å; Y82-L527 HydrophobicContact CD2-CG 4.14Å; Y82-L527 WeakPolarHBondContact CD2-O 3.27Å; Y82-L527 WeakPolarHBondContact CE2-O 3.41Å; Y82-L532 HydrophobicContact CD1-CD2 3.76Å; Y82-L532 HydrophobicContact CD2-CB 4.3Å; Y82-L532 HydrophobicContact CD2-CD2 3.95Å; Y82-L532 HydrophobicContact CE1-CD2 4.11Å; Y82-L532 HydrophobicContact CE2-CD2 4.31Å; Y82-L532 HydrophobicContact CG-CD2 3.66Å
83	L	93	Very high	94.3	Very high	98 Å²	98	71.5 Å²	71.5	51%	0.513	38%	0.375	S	S	.	.	H	α-helix	trans	-72.8	-10	-179.5	-67.8	173.1	0	0	0	113.6	V79 Q80 Y85	V79-L83 HydrophobicContact CG1-CD1 4.03Å; V79-L83 HydrophobicContact CG1-CG 4.39Å; V79-L83 VanDerWaalsContact O-CG 3.27Å; V79-L83 WeakPolarHBondContact O-CG 3.36Å; V79-L83 PolarHBondContact O-N 3.3Å; Q80-L83 PolarHBondContact O-N 3.46Å; Q80-L83 VanDerWaalsContact O-N 3.07Å; L83-Y85 VanDerWaalsContact C-N 3.3Å; L83-Y85 WeakPolarHBondContact O-CD2 3.22Å; L83-Y85 WeakPolarHBondContact O-CE2 3.49Å
84	V	92.2	Very high	94.1	Very high	60 Å²	60	69.8 Å²	69.8	36%	0.364	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-24.5	169.8	173.9	0	0	0	0	111.5	Q80 D81 Y82 D86 Q307	Q80-V84 PolarHBondContact O-N 3.14Å; D81-V84 PolarHBondContact O-N 3.34Å; Y82-V84 PolarHBondContact O-N 2.9Å; V84-D86 VanDerWaalsContact C-N 3.3Å; V84-D86 HydrophobicContact CG1-CB 4.38Å; V84-D86 PolarHBondContact O-N 3.43Å; V84-Q307 PolarHBondContact O-NE2 3.33Å; V84-Q307 VanDerWaalsContact O-NE2 3.11Å; V84-Q307 PolarHBondContact O-OE1 2.8Å
85	Y	92	Very high	93.8	Very high	73 Å²	73	73.1 Å²	73.1	29%	0.286	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	40.6	-175.7	-62.7	-89.8	0	0	0	113.7	Y82 L83 P306 L525	Y82-Y85 PolarHBondContact O-N 2.9Å; Y82-Y85 VanDerWaalsContact O-N 3.16Å; L83-Y85 VanDerWaalsContact C-N 3.3Å; L83-Y85 WeakPolarHBondContact O-CD2 3.22Å; L83-Y85 WeakPolarHBondContact O-CE2 3.49Å; Y85-P306 HydrophobicContact CD2-CG 4.05Å; Y85-P306 HydrophobicContact CE2-CG 3.97Å; Y85-P306 HydrophobicContact CG-CG 4.49Å; Y85-L525 HydrophobicContact CD1-CD2 4.2Å
86	D	93	Very high	93.2	Very high	97 Å²	97	77.8 Å²	77.8	52%	0.519	40%	0.402	S	S	.	.			trans	-61.9	142.2	178.3	-168.1	23.5	0	0	0	111.9	V84 V526	V84-D86 VanDerWaalsContact C-N 3.3Å; V84-D86 HydrophobicContact CG1-CB 4.38Å; V84-D86 PolarHBondContact O-N 3.43Å; D86-V526 HydrophobicContact CB-CB 4.5Å; D86-V526 HydrophobicContact CB-CG2 4.29Å; D86-V526 PolarHBondContact O-N 3.26Å
87	V	93.2	Very high	92.6	Very high	33 Å²	33	72.4 Å²	72.4	20%	0.2	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137.4	-171.7	-66.5	0	0	0	0	111.6	L303 T305 E523 K524 L525	V87-L303 HydrophobicContact CG1-CB 4.49Å; V87-L303 HydrophobicContact CG1-CD2 4.04Å; V87-T305 HydrophobicContact CG1-CG2 3.85Å; V87-E523 HydrophobicContact CB-CB 4.49Å; V87-K524 CarbonylContact C-O 3.55Å; V87-K524 WeakPolarHBondContact CA-O 3.13Å; V87-L525 HydrophobicContact CG1-CD2 4.35Å
88	S	94.1	Very high	91.9	Very high	47 Å²	47	74.7 Å²	74.7	33%	0.329	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	139.2	170.7	62	0	0	0	0	111.1	E523 K524	S88-E523 WeakPolarHBondContact O-CA 3.38Å; S88-K524 PolarHBondContact N-O 3.36Å; S88-K524 PolarHBondContact O-N 2.89Å
89	V	95.2	Very high	91.6	Very high	69 Å²	69	73.9 Å²	73.9	42%	0.418	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	112.2	177.1	-175.6	0	0	0	0	109.2	I91 W300 E523	V89-I91 HydrophobicContact CG1-CG1 4.22Å; V89-W300 HydrophobicContact CG1-CZ3 4.48Å; V89-E523 HydrophobicContact CG2-CG 4.11Å
90	N	94.9	Very high	91.5	Very high	68 Å²	68	72.5 Å²	72.5	36%	0.364	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	115.1	172.8	-70.4	-73.3	0	0	0	109.7	Q522 K524	N90-Q522 PolarHBondContact N-O 2.91Å; N90-Q522 PolarHBondContact O-N 3.29Å; N90-K524 WeakPolarHBondContact ND2-CD 3.33Å
91	I	95.6	Very high	91.4	Very high	94 Å²	94	68.3 Å²	68.3	48%	0.482	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	124.6	177.5	-62	153.8	0	0	0	108.4	V89 R519 V520	V89-I91 HydrophobicContact CG1-CG1 4.22Å; I91-R519 HydrophobicContact CG2-CG 3.89Å; I91-R519 VanDerWaalsContact CG2-NE 3.26Å; I91-V520 WeakPolarHBondContact CA-O 3.43Å
92	H	95.3	Very high	91.6	Very high	70 Å²	70	63.4 Å²	63.4	32%	0.324	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	163	170.9	56.6	-72.6	0	0	0	109.6	E94 V520	H92-E94 IonicContact NE2-OE1 2.86Å; H92-V520 WeakPolarHBondContact CE1-CG1 3.39Å; H92-V520 PolarHBondContact N-O 3.15Å; H92-V520 PolarHBondContact ND1-O 3Å; H92-V520 PolarHBondContact O-N 2.97Å
93	V	94.3	Very high	91.7	Very high	83 Å²	83	61.2 Å²	61.2	50%	0.503	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.5	176.7	-179.4	0	0	0	0	107.5	L95 D517	V93-L95 HydrophobicContact CG1-CD2 4.16Å; V93-D517 HydrophobicContact CG1-CB 3.56Å
94	E	92.5	Very high	91.9	Very high	65 Å²	65	56.6 Å²	56.6	30%	0.304	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	108.6	169.7	-68.1	179.5	-172.3	0	0	107.3	H92 A97 K301 V518 V520	H92-E94 IonicContact NE2-OE1 2.86Å; E94-A97 HydrophobicContact CB-CB 3.75Å; E94-K301 IonicContact OE1-NZ 3.21Å; E94-K301 PolarHBondContact OE1-NZ 3.11Å; E94-V518 PolarHBondContact N-O 2.95Å; E94-V518 PolarHBondContact O-N 3.06Å; E94-V520 HydrophobicContact CB-CG2 4.32Å; E94-V520 VanDerWaalsContact CD-CG2 3.47Å; E94-V520 HydrophobicContact CG-CG2 3.7Å
95	L	89.1	Confident	92.2	Very high	126 Å²	126	53.8 Å²	53.8	66%	0.66	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	139.7	-178.9	-60.8	175.1	0	0	0	110.9	V93 A97 D517	V93-L95 HydrophobicContact CG1-CD2 4.16Å; L95-A97 PolarHBondContact O-N 3.5Å; L95-D517 WeakPolarHBondContact CA-OD1 3.27Å; L95-D517 HydrophobicContact CD2-CB 4.41Å
96	D	81	Confident	92.4	Very high	129 Å²	129	50.3 Å²	50.3	69%	0.69	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	23.4	-180	-66.3	-43.3	0	0	0	114.8	K98 D517	D96-K98 PolarHBondContact O-N 3.31Å; D96-D517 PolarHBondContact N-OD1 2.84Å; D96-D517 VanDerWaalsContact N-OD1 3.13Å
97	A	83.4	Confident	92.6	Very high	21 Å²	21	45.7 Å²	45.7	17%	0.174	25%	0.246	C	C	.	.			trans	-74.5	124.2	177.4	0	0	0	0	0	110.5	E94 L95 S99 V518	E94-A97 HydrophobicContact CB-CB 3.75Å; L95-A97 PolarHBondContact O-N 3.5Å; A97-S99 PolarHBondContact O-N 2.94Å; A97-V518 HydrophobicContact CB-CB 4.07Å; A97-V518 HydrophobicContact CB-CG2 3.85Å; A97-V518 VanDerWaalsContact O-CG2 3.24Å; A97-V518 WeakPolarHBondContact O-CG2 3.34Å
98	K	82.3	Confident	92.7	Very high	130 Å²	130	44.2 Å²	44.2	57%	0.565	24%	0.237	S	C	*	.			trans	-61.6	124	173.4	-69.9	-166.9	171.6	-154.2	0	110	D96 E230 D231	D96-K98 PolarHBondContact O-N 3.31Å; K98-E230 HydrophobicContact CB-CG 4.29Å; K98-E230 HydrophobicContact CD-CB 4.27Å; K98-E230 WeakPolarHBondContact CD-OE2 3.35Å; K98-D231 IonicContact NZ-OD1 2.64Å; K98-D231 PolarHBondContact NZ-OD1 2.81Å
99	S	88.9	Confident	92.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.226	C	C	.	.			trans	-121.4	149.3	171.1	46.9	0	0	0	0	110.6	A97 P297 R513	A97-S99 PolarHBondContact O-N 2.94Å; S99-P297 WeakPolarHBondContact OG-CG 3.35Å; S99-R513 PolarHBondContact O-NH2 3.48Å; S99-R513 PolarHBondContact OG-NH1 3.35Å; S99-R513 PolarHBondContact OG-NH2 3.4Å
100	P	90.6	Very high	92.4	Very high	23 Å²	23	41.1 Å²	41.1	15%	0.149	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-71.1	132.4	177.6	28.5	-32.6	0	0	0	110.8	A229 Y433 Y435	P100-A229 HydrophobicContact CB-CB 3.92Å; P100-Y433 HydrophobicContact CG-CD2 3.86Å; P100-Y433 HydrophobicContact CG-CE2 3.76Å; P100-Y433 HydrophobicContact CG-CG 4.32Å; P100-Y435 WeakPolarHBondContact O-CE1 3.24Å; P100-Y435 PolarHBondContact O-OH 3.11Å
101	F	93.9	Very high	92.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-58.4	132.7	169.1	-165.9	-88	0	0	0	109.8	F205 A229 T232 I235 P272 Y295 L511	F101-F205 HydrophobicContact CD1-CE1 4.33Å; F101-F205 HydrophobicContact CD1-CZ 4.02Å; F101-F205 HydrophobicContact CE1-CZ 4.47Å; F101-A229 WeakPolarHBondContact CB-O 3.3Å; F101-A229 PolarHBondContact N-O 3.01Å; F101-T232 HydrophobicContact CD1-CG2 4.25Å; F101-T232 HydrophobicContact CD2-CG2 3.79Å; F101-T232 VanDerWaalsContact CD2-O 3.24Å; F101-T232 WeakPolarHBondContact CD2-O 3.33Å; F101-T232 HydrophobicContact CE1-CG2 4.49Å; F101-T232 HydrophobicContact CE2-CG2 4.03Å; F101-T232 HydrophobicContact CG-CG2 3.92Å; F101-T232 HydrophobicContact CZ-CG2 4.38Å; F101-I235 HydrophobicContact CD1-CD1 4Å; F101-I235 HydrophobicContact CE1-CB 4.33Å; F101-I235 HydrophobicContact CE1-CD1 3.3Å; F101-I235 HydrophobicContact CE1-CG1 3.73Å; F101-I235 HydrophobicContact CZ-CB 4.1Å; F101-I235 HydrophobicContact CZ-CD1 3.88Å; F101-I235 HydrophobicContact CZ-CG1 3.75Å; F101-P272 WeakPolarHBondContact O-CG 3.46Å; F101-Y295 HydrophobicContact CD2-CE1 4.18Å; F101-Y295 WeakPolarHBondContact CD2-OH 3.29Å; F101-Y295 AromaticContact CE2-CE1 3.83Å; F101-Y295 HydrophobicContact CE2-CE1 3.83Å; F101-Y295 HydrophobicContact CZ-CE1 4.37Å; F101-L511 HydrophobicContact CE1-CD2 3.74Å; F101-L511 HydrophobicContact CE1-CG 4.33Å; F101-L511 HydrophobicContact CZ-CB 4.29Å; F101-L511 HydrophobicContact CZ-CD2 3.73Å; F101-L511 HydrophobicContact CZ-CG 3.8Å
102	P	95.5	Very high	91.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-69.8	167	-176.3	26.2	-32.8	0	0	0	112.9	V269 H270 Y295 Y435 L511	P102-V269 HydrophobicContact CB-CG1 3.48Å; P102-V269 VanDerWaalsContact CB-CG1 3.48Å; P102-V269 HydrophobicContact CG-CG1 3.45Å; P102-V269 VanDerWaalsContact CG-CG1 3.45Å; P102-H270 WeakPolarHBondContact CB-O 3.31Å; P102-Y295 VanDerWaalsContact CD-CZ 3.42Å; P102-Y295 HydrophobicContact CG-CD1 4.16Å; P102-Y295 HydrophobicContact CG-CD2 4.34Å; P102-Y295 HydrophobicContact CG-CE1 3.98Å; P102-Y295 HydrophobicContact CG-CE2 4.19Å; P102-Y295 HydrophobicContact CG-CG 4.32Å; P102-Y435 HydrophobicContact CB-CD1 3.68Å; P102-Y435 HydrophobicContact CB-CD2 3.87Å; P102-Y435 HydrophobicContact CB-CE1 3.6Å; P102-Y435 HydrophobicContact CB-CE2 3.82Å; P102-Y435 HydrophobicContact CB-CG 3.8Å; P102-Y435 HydrophobicContact CG-CD1 3.81Å; P102-Y435 HydrophobicContact CG-CE1 3.89Å; P102-Y435 HydrophobicContact CG-CG 4.27Å; P102-L511 HydrophobicContact CG-CD2 4.11Å
103	A	95.7	Very high	91.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	142.4	162.3	0	0	0	0	0	110.5	T220 F221 E222 V269 H270 P272	A103-T220 HydrophobicContact CB-CG2 3.78Å; A103-F221 CarbonylContact C-O 3.47Å; A103-F221 VanDerWaalsContact CA-O 3.27Å; A103-F221 WeakPolarHBondContact CA-O 3.1Å; A103-E222 HydrophobicContact CB-CB 3.81Å; A103-V269 WeakPolarHBondContact O-CA 3.38Å; A103-H270 PolarHBondContact N-O 3.22Å; A103-H270 PolarHBondContact O-N 3.43Å; A103-P272 HydrophobicContact CB-CG 4.45Å
104	L	97.5	Very high	91.2	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	110.5	175.3	179.4	61.8	0	0	0	109.3	I106 T220 F221 L237 V267 V269 I293 V509 L511	L104-I106 HydrophobicContact CD2-CD1 4.1Å; L104-I106 HydrophobicContact CD2-CG1 4.42Å; L104-I106 HydrophobicContact CG-CD1 4.3Å; L104-I106 HydrophobicContact CG-CG1 4.08Å; L104-T220 CarbonylContact O-C 3.5Å; L104-T220 WeakPolarHBondContact O-CA 3.48Å; L104-F221 HydrophobicContact CB-CB 4.47Å; L104-F221 PolarHBondContact N-O 3.33Å; L104-F221 PolarHBondContact O-N 2.91Å; L104-L237 HydrophobicContact CD2-CD1 3.91Å; L104-V267 HydrophobicContact CD1-CB 4.3Å; L104-V269 HydrophobicContact CD1-CG2 4.17Å; L104-I293 HydrophobicContact CD1-CD1 4.42Å; L104-V509 HydrophobicContact CD2-CG1 4.39Å; L104-L511 HydrophobicContact CB-CD2 3.84Å; L104-L511 HydrophobicContact CD1-CD2 4.29Å; L104-L511 HydrophobicContact CD2-CB 4.24Å; L104-L511 HydrophobicContact CD2-CD2 4.21Å; L104-L511 HydrophobicContact CG-CD2 4.33Å
105	T	97.7	Very high	91.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	135.1	172	-68.5	0	0	0	0	110.3	F210 C218 H219 T220 V267 V268 H270 P276 L278	T105-F210 HydrophobicContact CG2-CE1 3.66Å; T105-F210 HydrophobicContact CG2-CZ 3.85Å; T105-C218 HydrophobicContact CG2-CB 4.38Å; T105-H219 CarbonylContact C-O 3.54Å; T105-H219 WeakPolarHBondContact CA-O 3.49Å; T105-T220 WeakPolarHBondContact OG1-CB 3.26Å; T105-T220 WeakPolarHBondContact OG1-CG2 3.35Å; T105-T220 PolarHBondContact OG1-OG1 2.88Å; T105-V267 CarbonylContact O-C 3.59Å; T105-V267 WeakPolarHBondContact O-CA 3.33Å; T105-V268 PolarHBondContact N-O 3.38Å; T105-V268 PolarHBondContact O-N 3.34Å; T105-H270 PolarHBondContact OG1-NE2 2.96Å; T105-P276 HydrophobicContact CG2-CB 3.86Å; T105-P276 HydrophobicContact CG2-CG 3.84Å; T105-P276 WeakPolarHBondContact OG1-CB 3.34Å; T105-L278 HydrophobicContact CG2-CD2 4.02Å
106	I	97.5	Very high	91.1	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.7	178.7	-55.9	-179.7	0	0	0	109.2	L104 F182 C218 H219 F221 L237 V239 L265 V267	L104-I106 HydrophobicContact CD2-CD1 4.1Å; L104-I106 HydrophobicContact CD2-CG1 4.42Å; L104-I106 HydrophobicContact CG-CD1 4.3Å; L104-I106 HydrophobicContact CG-CG1 4.08Å; I106-F182 HydrophobicContact CB-CE1 4.38Å; I106-F182 HydrophobicContact CD1-CE1 4.03Å; I106-F182 HydrophobicContact CG2-CE1 4.31Å; I106-C218 WeakPolarHBondContact O-CA 3.42Å; I106-H219 PolarHBondContact N-O 3.45Å; I106-H219 PolarHBondContact O-N 3.04Å; I106-F221 HydrophobicContact CD1-CD2 4.46Å; I106-F221 HydrophobicContact CD1-CE2 4.37Å; I106-L237 HydrophobicContact CD1-CD1 3.34Å; I106-V239 HydrophobicContact CD1-CG2 4.46Å; I106-L265 HydrophobicContact CG2-CB 4.32Å; I106-L265 HydrophobicContact CG2-CD1 3.94Å; I106-L265 HydrophobicContact CG2-CD2 4.22Å; I106-L265 HydrophobicContact CG2-CG 4.39Å; I106-V267 HydrophobicContact CB-CG1 4.39Å; I106-V267 HydrophobicContact CG1-CG1 3.97Å; I106-V267 HydrophobicContact CG2-CG1 4.24Å
107	C	96.9	Very high	91.3	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.2	174.3	-57.8	0	0	0	0	108.9	Y215 C218 L265 R266 L278	C107-Y215 HydrophobicContact CB-CD1 4.33Å; C107-Y215 HydrophobicContact CB-CD2 3.96Å; C107-Y215 HydrophobicContact CB-CG 3.75Å; C107-C218 HydrophobicContact CB-CB 4.2Å; C107-C218 WeakPolarHBondContact CB-SG 3.3Å; C107-C218 WeakPolarHBondContact SG-CB 3.48Å; C107-C218 CovalentContact SG-SG 2.03Å; C107-C218 PolarHBondContact SG-SG 3.23Å; C107-L265 CarbonylContact O-C 3.4Å; C107-L265 VanDerWaalsContact O-CA 3.31Å; C107-L265 WeakPolarHBondContact O-CA 3.48Å; C107-R266 HydrophobicContact CB-CB 4.33Å; C107-R266 PolarHBondContact N-O 3.38Å; C107-R266 PolarHBondContact O-N 2.92Å; C107-L278 WeakPolarHBondContact SG-CD1 3.14Å
108	H	94.7	Very high	91.6	Very high	2 Å²	2	24 Å²	24	1%	0.009	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	135.3	171.2	-68.4	67.4	0	0	0	109.6	H110 H177 Y215 S240 L265	H108-H110 VanDerWaalsContact C-N 3.29Å; H108-H110 VanDerWaalsContact CB-O 3.27Å; H108-H110 WeakPolarHBondContact CB-O 3.34Å; H108-H177 VanDerWaalsContact CB-CD2 3.46Å; H108-H177 WeakPolarHBondContact CB-CD2 3.48Å; H108-H177 AromaticContact CD2-CD2 3.87Å; H108-H177 AromaticContact CD2-CE1 3.9Å; H108-H177 AromaticContact CD2-NE2 3.73Å; H108-H177 AromaticContact CG-CD2 3.41Å; H108-H177 VanDerWaalsContact CG-CD2 3.41Å; H108-H177 AromaticContact CG-CG 3.87Å; H108-H177 AromaticContact CG-NE2 3.64Å; H108-H177 AromaticContact ND1-CD2 3.75Å; H108-H177 AromaticContact ND1-CG 3.85Å; H108-Y215 VanDerWaalsContact O-CD1 3.27Å; H108-Y215 WeakPolarHBondContact O-CD1 3.5Å; H108-S240 PolarHBondContact NE2-O 2.94Å; H108-L265 HydrophobicContact CB-CD2 4.29Å
109	H	92	Very high	92	Very high	21 Å²	21	18.3 Å²	18.3	10%	0.097	9%	0.091	C	C	.	.	S	Bend	trans	-63.2	-40.2	172.5	-78.5	-57.9	0	0	0	111.7	P111 Y215 A262 G264 H284	H109-P111 VanDerWaalsContact O-CD 3.31Å; H109-P111 WeakPolarHBondContact O-CD 3.44Å; H109-Y215 AromaticContact ND1-CE1 3.6Å; H109-A262 HydrophobicContact CB-CB 4.41Å; H109-A262 WeakPolarHBondContact CB-O 3.44Å; H109-G264 PolarHBondContact N-O 2.9Å; H109-H284 AromaticContact CE1-CE1 3.53Å; H109-H284 AromaticContact CE1-ND1 3.24Å; H109-H284 PolarHBondContact CE1-ND1 3.29Å; H109-H284 AromaticContact NE2-CE1 3.8Å; H109-H284 AromaticContact NE2-ND1 3.09Å; H109-H284 PolarHBondContact NE2-ND1 2.94Å
110	H	90.2	Very high	91.8	Very high	30 Å²	30	19.7 Å²	19.7	14%	0.139	10%	0.096	C	C	.	.	S	Bend	trans	-81.3	110.7	168.4	-177.3	63.8	0	0	0	109.2	H108 F112 Y117 H177 Q252	H108-H110 VanDerWaalsContact C-N 3.29Å; H108-H110 VanDerWaalsContact CB-O 3.27Å; H108-H110 WeakPolarHBondContact CB-O 3.34Å; H110-F112 VanDerWaalsContact C-N 3.32Å; H110-F112 PolarHBondContact CD2-O 3.49Å; H110-F112 PolarHBondContact NE2-O 2.92Å; H110-F112 PolarHBondContact O-N 3.48Å; H110-Y117 PolarHBondContact NE2-OH 3.41Å; H110-H177 PolarHBondContact O-CD2 3.46Å; H110-H177 PolarHBondContact O-NE2 3.17Å; H110-Q252 VanDerWaalsContact CE1-CD 3.41Å; H110-Q252 PolarHBondContact CE1-NE2 3.01Å; H110-Q252 PolarHBondContact CE1-OE1 3.19Å; H110-Q252 PolarHBondContact ND1-NE2 3.28Å; H110-Q252 PolarHBondContact ND1-OE1 3.08Å; H110-Q252 VanDerWaalsContact ND1-OE1 3.16Å
111	P	90.9	Very high	91.6	Very high	4 Å²	4	28.1 Å²	28.1	3%	0.026	13%	0.125	C	C	.	.			trans	-72	-23.9	-169.7	31.1	-41	0	0	0	113.7	H109 L160 G176 F216	H109-P111 VanDerWaalsContact O-CD 3.31Å; H109-P111 WeakPolarHBondContact O-CD 3.44Å; P111-L160 HydrophobicContact CB-CD2 4.35Å; P111-L160 HydrophobicContact CG-CD1 4.16Å; P111-L160 HydrophobicContact CG-CD2 3.72Å; P111-G176 WeakPolarHBondContact O-CA 3.22Å; P111-F216 HydrophobicContact CB-CB 4.02Å; P111-F216 HydrophobicContact CB-CD2 3.46Å; P111-F216 VanDerWaalsContact CB-CD2 3.46Å; P111-F216 HydrophobicContact CB-CE2 4.17Å; P111-F216 HydrophobicContact CB-CG 3.86Å; P111-F216 HydrophobicContact CG-CD2 4.3Å
112	F	90.4	Very high	91.4	Very high	3 Å²	3	33.5 Å²	33.5	1%	0.013	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-92.5	128.3	-166.5	-59	-41.1	0	0	0	112.6	H110 A116 L160 Y163 L175 H177 F216 Q252	H110-F112 VanDerWaalsContact C-N 3.32Å; H110-F112 PolarHBondContact CD2-O 3.49Å; H110-F112 PolarHBondContact NE2-O 2.92Å; H110-F112 PolarHBondContact O-N 3.48Å; F112-A116 HydrophobicContact CB-CB 3.86Å; F112-A116 HydrophobicContact CG-CB 4.43Å; F112-L160 HydrophobicContact CE1-CD1 4.35Å; F112-L160 HydrophobicContact CE2-CD1 4.47Å; F112-L160 HydrophobicContact CZ-CD1 3.74Å; F112-Y163 AromaticContact CE1-CE1 3.97Å; F112-Y163 HydrophobicContact CE1-CE1 3.97Å; F112-Y163 HydrophobicContact CZ-CD1 4.36Å; F112-Y163 AromaticContact CZ-CE1 3.79Å; F112-Y163 HydrophobicContact CZ-CE1 3.79Å; F112-L175 WeakPolarHBondContact CA-O 3.46Å; F112-L175 HydrophobicContact CD1-CB 4.19Å; F112-L175 HydrophobicContact CE1-CD1 4.42Å; F112-H177 PolarHBondContact O-CE1 3.06Å; F112-H177 PolarHBondContact O-NE2 3.19Å; F112-F216 HydrophobicContact CE1-CD1 4.46Å; F112-F216 AromaticContact CE1-CE1 3.94Å; F112-F216 HydrophobicContact CE1-CE1 3.94Å; F112-F216 HydrophobicContact CE1-CE2 4.21Å; F112-F216 AromaticContact CE1-CZ 3.8Å; F112-F216 HydrophobicContact CE1-CZ 3.8Å; F112-Q252 HydrophobicContact CD2-CG 4.15Å; F112-Q252 HydrophobicContact CE2-CG 3.73Å
113	S	90.6	Very high	91	Very high	10 Å²	10	36.4 Å²	36.4	7%	0.07	18%	0.184	C	C	.	.			trans	-78.1	170.7	173.8	68	0	0	0	0	112.7	N115 A116 Y117 L175 G176	S113-N115 PolarHBondContact O-N 2.84Å; S113-N115 PolarHBondContact OG-N 3.4Å; S113-A116 WeakPolarHBondContact O-CB 3.2Å; S113-A116 PolarHBondContact O-N 3.06Å; S113-A116 PolarHBondContact OG-N 3.25Å; S113-Y117 WeakPolarHBondContact O-CD2 3.5Å; S113-L175 PolarHBondContact N-O 2.52Å; S113-L175 PolarHBondContact OG-O 2.81Å; S113-G176 VanDerWaalsContact CB-O 3.29Å; S113-G176 WeakPolarHBondContact CB-O 3.44Å; S113-G176 PolarHBondContact OG-O 2.78Å
114	Q	84.7	Confident	90.7	Very high	90 Å²	90	40.6 Å²	40.6	42%	0.421	21%	0.206	S	C	.	.	H	α-helix	trans	-57	-40	172.2	-175.9	59.3	17.3	0	0	111.9	A116 Y117 H118 T243	Q114-A116 PolarHBondContact O-N 2.89Å; Q114-Y117 PolarHBondContact O-N 3.22Å; Q114-Y117 VanDerWaalsContact O-N 3.15Å; Q114-H118 PolarHBondContact O-CD2 3.48Å; Q114-T243 PolarHBondContact OE1-OG1 3.36Å
115	N	88.8	Confident	90.4	Very high	79 Å²	79	40.9 Å²	40.9	42%	0.422	21%	0.208	S	C	.	.	H	α-helix	trans	-60.4	-32.1	177.1	-172.2	49.1	0	0	0	112.3	S113 Y117 H118 L119	S113-N115 PolarHBondContact O-N 2.84Å; S113-N115 PolarHBondContact OG-N 3.4Å; N115-Y117 PolarHBondContact O-N 2.68Å; N115-H118 WeakPolarHBondContact O-CB 3.45Å; N115-H118 PolarHBondContact O-N 2.9Å; N115-H118 VanDerWaalsContact O-N 3.07Å; N115-L119 WeakPolarHBondContact O-CG 3.3Å; N115-L119 PolarHBondContact O-N 2.64Å
116	A	90.1	Very high	89.9	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.7	-33.7	177	0	0	0	0	0	113.1	F112 S113 Q114 R120 L175	F112-A116 HydrophobicContact CB-CB 3.86Å; F112-A116 HydrophobicContact CG-CB 4.43Å; S113-A116 WeakPolarHBondContact O-CB 3.2Å; S113-A116 PolarHBondContact O-N 3.06Å; S113-A116 PolarHBondContact OG-N 3.25Å; Q114-A116 PolarHBondContact O-N 2.89Å; A116-R120 WeakPolarHBondContact O-CB 3.38Å; A116-R120 VanDerWaalsContact O-CG 3.26Å; A116-R120 WeakPolarHBondContact O-CG 3.04Å; A116-R120 PolarHBondContact O-N 3.19Å; A116-R120 VanDerWaalsContact O-N 3.09Å; A116-R120 PolarHBondContact O-NE 3.39Å; A116-R120 VanDerWaalsContact O-NE 3.13Å; A116-L175 HydrophobicContact CB-CB 4.28Å; A116-L175 HydrophobicContact CB-CD2 3.7Å; A116-L175 WeakPolarHBondContact CB-O 3.33Å
117	Y	85.7	Confident	89.5	Confident	25 Å²	25	44.2 Å²	44.2	10%	0.098	23%	0.226	C	C	.	.	H	α-helix	trans	-69.7	-37.7	175.7	-62.5	-88	0	0	0	111.6	H110 S113 Q114 N115 R121 E251	H110-Y117 PolarHBondContact NE2-OH 3.41Å; S113-Y117 WeakPolarHBondContact O-CD2 3.5Å; Q114-Y117 PolarHBondContact O-N 3.22Å; Q114-Y117 VanDerWaalsContact O-N 3.15Å; N115-Y117 PolarHBondContact O-N 2.68Å; Y117-R121 VanDerWaalsContact O-CB 3.3Å; Y117-R121 WeakPolarHBondContact O-CB 3.41Å; Y117-R121 PolarHBondContact O-N 3.42Å; Y117-E251 VanDerWaalsContact CD1-OE2 3.31Å; Y117-E251 WeakPolarHBondContact CD1-OE2 3.37Å; Y117-E251 WeakPolarHBondContact CE1-OE2 3.43Å
118	H	87.9	Confident	89.1	Confident	85 Å²	85	44.2 Å²	44.2	39%	0.394	23%	0.226	S	C	.	.	H	α-helix	trans	-65.2	-47.4	175.4	-67.6	-75.1	0	0	0	111.5	Q114 N115 R120 R121 N122	Q114-H118 PolarHBondContact O-CD2 3.48Å; N115-H118 WeakPolarHBondContact O-CB 3.45Å; N115-H118 PolarHBondContact O-N 2.9Å; N115-H118 VanDerWaalsContact O-N 3.07Å; H118-R120 VanDerWaalsContact C-N 3.34Å; H118-R120 PolarHBondContact O-N 3.26Å; H118-R121 PolarHBondContact O-N 3.37Å; H118-N122 WeakPolarHBondContact O-CB 3.31Å; H118-N122 VanDerWaalsContact O-CG 3.29Å; H118-N122 PolarHBondContact O-N 2.91Å
119	L	91.1	Very high	88.7	Confident	11 Å²	11	45.3 Å²	45.3	6%	0.058	23%	0.233	C	C	.	.	H	α-helix	trans	-60.7	-42.2	178.5	-65.7	178	0	0	0	112.6	N115 G123 D124 V125 R174 L175	N115-L119 WeakPolarHBondContact O-CG 3.3Å; N115-L119 PolarHBondContact O-N 2.64Å; L119-G123 PolarHBondContact O-N 3.37Å; L119-D124 HydrophobicContact CD2-CB 4.21Å; L119-D124 PolarHBondContact O-N 3.02Å; L119-V125 HydrophobicContact CB-CG2 4.27Å; L119-V125 HydrophobicContact CD1-CG2 4.46Å; L119-R174 HydrophobicContact CD1-CB 3.7Å; L119-L175 HydrophobicContact CD1-CD2 4.48Å
120	R	86	Confident	88.5	Confident	28 Å²	28	49.2 Å²	49.2	11%	0.106	25%	0.254	C	S	.	.	H	α-helix	trans	-68.5	-40.3	177.3	-73.1	-178.4	-70.2	149.4	5.8	111.9	A116 H118 N122 G123 L175 E251	A116-R120 WeakPolarHBondContact O-CB 3.38Å; A116-R120 VanDerWaalsContact O-CG 3.26Å; A116-R120 WeakPolarHBondContact O-CG 3.04Å; A116-R120 PolarHBondContact O-N 3.19Å; A116-R120 VanDerWaalsContact O-N 3.09Å; A116-R120 PolarHBondContact O-NE 3.39Å; A116-R120 VanDerWaalsContact O-NE 3.13Å; H118-R120 VanDerWaalsContact C-N 3.34Å; H118-R120 PolarHBondContact O-N 3.26Å; R120-N122 VanDerWaalsContact C-N 3.3Å; R120-N122 PolarHBondContact O-N 2.96Å; R120-G123 PolarHBondContact O-N 2.83Å; R120-L175 HydrophobicContact CG-CD2 4.45Å; R120-E251 IonicContact CZ-OE2 3.24Å; R120-E251 VanDerWaalsContact CZ-OE2 3.32Å; R120-E251 IonicContact NH1-OE2 3.92Å; R120-E251 PolarHBondContact NH1-OE2 3.43Å; R120-E251 IonicContact NH2-OE2 3.32Å; R120-E251 PolarHBondContact NH2-OE2 2.87Å
121	R	84.8	Confident	88.4	Confident	200 Å²	200	47.8 Å²	47.8	76%	0.755	25%	0.247	S	C	*	.	H	α-helix	trans	-64.3	-36.5	177.6	-171.7	-177.8	-61.8	174.5	1.9	112.1	Y117 H118 G123	Y117-R121 VanDerWaalsContact O-CB 3.3Å; Y117-R121 WeakPolarHBondContact O-CB 3.41Å; Y117-R121 PolarHBondContact O-N 3.42Å; H118-R121 PolarHBondContact O-N 3.37Å; R121-G123 VanDerWaalsContact C-N 3.27Å
122	N	89.8	Confident	88.3	Confident	113 Å²	113	47.6 Å²	47.6	60%	0.604	25%	0.246	S	C	*	.	H	α-helix	trans	-78.8	-10.6	178.2	-67.1	-6.1	0	0	0	113.3	H118 R120 D124	H118-N122 WeakPolarHBondContact O-CB 3.31Å; H118-N122 VanDerWaalsContact O-CG 3.29Å; H118-N122 PolarHBondContact O-N 2.91Å; R120-N122 VanDerWaalsContact C-N 3.3Å; R120-N122 PolarHBondContact O-N 2.96Å; N122-D124 VanDerWaalsContact C-N 3.28Å; N122-D124 PolarHBondContact O-N 3.37Å
123	G	88.1	Confident	88.2	Confident	62 Å²	62	52.9 Å²	52.9	64%	0.639	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	12.9	-175.9	0	0	0	0	0	114.2	L119 R120 R121 V125	L119-G123 PolarHBondContact O-N 3.37Å; R120-G123 PolarHBondContact O-N 2.83Å; R121-G123 VanDerWaalsContact C-N 3.27Å; G123-V125 VanDerWaalsContact C-N 3.26Å; G123-V125 PolarHBondContact O-N 3.41Å
124	D	90	Very high	88.1	Confident	88 Å²	88	55.8 Å²	55.8	47%	0.471	28%	0.282	S	S	.	.	S	Bend	trans	-68.7	-28	179.8	-66.5	-37.1	0	0	0	112.3	L119 N122	L119-D124 HydrophobicContact CD2-CB 4.21Å; L119-D124 PolarHBondContact O-N 3.02Å; N122-D124 VanDerWaalsContact C-N 3.28Å; N122-D124 PolarHBondContact O-N 3.37Å
125	V	90.3	Very high	88.3	Confident	7 Å²	7	51.6 Å²	51.6	4%	0.042	26%	0.262	C	S	.	.	S	Bend	trans	-137.5	137.1	179.8	-174.1	0	0	0	0	108.8	L119 G123 S127 L167 D171 L175	L119-V125 HydrophobicContact CB-CG2 4.27Å; L119-V125 HydrophobicContact CD1-CG2 4.46Å; G123-V125 VanDerWaalsContact C-N 3.26Å; G123-V125 PolarHBondContact O-N 3.41Å; V125-S127 PolarHBondContact O-N 2.94Å; V125-L167 HydrophobicContact CG1-CD2 3.86Å; V125-D171 HydrophobicContact CG1-CB 3.92Å; V125-D171 HydrophobicContact CG2-CB 3.95Å; V125-L175 HydrophobicContact CB-CD2 4.39Å; V125-L175 HydrophobicContact CG1-CD1 3.84Å; V125-L175 HydrophobicContact CG1-CD2 4.22Å; V125-L175 HydrophobicContact CG1-CG 4.22Å
126	M	88.1	Confident	88.3	Confident	56 Å²	56	51.3 Å²	51.3	28%	0.276	26%	0.255	S	S	.	.			trans	-53	130	175.4	177.4	176.2	61.1	0	0	110.2	I130 F131 Y163 L167 L392	M126-I130 HydrophobicContact CG-CB 4.35Å; M126-I130 HydrophobicContact CG-CG2 4.23Å; M126-F131 HydrophobicContact CE-CB 4.17Å; M126-F131 HydrophobicContact CE-CD2 3.69Å; M126-F131 HydrophobicContact CE-CG 4.35Å; M126-F131 HydrophobicContact SD-CB 4.25Å; M126-F131 HydrophobicContact SD-CD2 4.29Å; M126-Y163 HydrophobicContact CE-CD2 4.11Å; M126-Y163 HydrophobicContact CE-CE2 3.98Å; M126-Y163 PolarHBondContact O-OH 3.21Å; M126-L167 HydrophobicContact CE-CD2 4.45Å; M126-L392 HydrophobicContact CE-CD1 3.57Å; M126-L392 HydrophobicContact SD-CD1 3.64Å
127	S	87.9	Confident	88.3	Confident	15 Å²	15	56.6 Å²	56.6	11%	0.105	28%	0.283	C	S	.	.			trans	-76.1	148.2	175.3	71.3	0	0	0	0	111.3	V125 S129 I130 F131	V125-S127 PolarHBondContact O-N 2.94Å; S127-S129 PolarHBondContact O-N 3.12Å; S127-S129 PolarHBondContact OG-OG 3.23Å; S127-I130 PolarHBondContact O-N 2.85Å; S127-I130 WeakPolarHBondContact OG-CD1 3.41Å; S127-I130 WeakPolarHBondContact OG-CG1 3.29Å; S127-I130 PolarHBondContact OG-N 2.53Å; S127-I130 VanDerWaalsContact OG-N 3.11Å; S127-F131 PolarHBondContact O-N 3.5Å
128	S	88.8	Confident	88.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-53.3	-34	168.2	40.4	0	0	0	0	112.7	F131 N132 E251	S128-F131 PolarHBondContact O-N 2.98Å; S128-N132 VanDerWaalsContact O-CG 3.25Å; S128-N132 PolarHBondContact O-N 3.33Å; S128-N132 PolarHBondContact O-OD1 2.91Å; S128-E251 VanDerWaalsContact CB-O 3.31Å; S128-E251 WeakPolarHBondContact CB-O 3.39Å; S128-E251 PolarHBondContact OG-O 3.29Å
129	S	85.8	Confident	88.6	Confident	24 Å²	24	53.2 Å²	53.2	17%	0.168	27%	0.271	C	S	.	.	H	α-helix	trans	-72.1	-22.6	176.2	61.1	0	0	0	0	114.7	S127 N132 K133	S127-S129 PolarHBondContact O-N 3.12Å; S127-S129 PolarHBondContact OG-OG 3.23Å; S129-N132 WeakPolarHBondContact CA-OD1 3.25Å; S129-N132 PolarHBondContact O-OD1 2.75Å; S129-K133 WeakPolarHBondContact O-CB 3.48Å; S129-K133 VanDerWaalsContact O-CD 3.27Å; S129-K133 WeakPolarHBondContact O-CD 3.43Å; S129-K133 WeakPolarHBondContact O-CG 3.2Å
130	I	87.7	Confident	88.6	Confident	103 Å²	103	57.5 Å²	57.5	53%	0.528	29%	0.29	S	S	.	.	H	α-helix	trans	-80.6	-43.4	171.3	-72.6	165.4	0	0	0	108.6	M126 S127 K133 H134	M126-I130 HydrophobicContact CG-CB 4.35Å; M126-I130 HydrophobicContact CG-CG2 4.23Å; S127-I130 PolarHBondContact O-N 2.85Å; S127-I130 WeakPolarHBondContact OG-CD1 3.41Å; S127-I130 WeakPolarHBondContact OG-CG1 3.29Å; S127-I130 PolarHBondContact OG-N 2.53Å; S127-I130 VanDerWaalsContact OG-N 3.11Å; I130-K133 PolarHBondContact O-N 2.96Å; I130-H134 WeakPolarHBondContact O-CB 3.42Å; I130-H134 PolarHBondContact O-N 3.32Å
131	F	89.9	Confident	88.9	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60.8	-51.3	178.8	-177.9	-89.8	0	0	0	112.6	M126 S127 S128 K133 H134 M135 T162 Y163 N166 F254 L392	M126-F131 HydrophobicContact CE-CB 4.17Å; M126-F131 HydrophobicContact CE-CD2 3.69Å; M126-F131 HydrophobicContact CE-CG 4.35Å; M126-F131 HydrophobicContact SD-CB 4.25Å; M126-F131 HydrophobicContact SD-CD2 4.29Å; S127-F131 PolarHBondContact O-N 3.5Å; S128-F131 PolarHBondContact O-N 2.98Å; F131-K133 VanDerWaalsContact C-N 3.35Å; F131-K133 PolarHBondContact O-N 2.96Å; F131-H134 WeakPolarHBondContact O-CB 3.41Å; F131-H134 PolarHBondContact O-N 3.28Å; F131-H134 VanDerWaalsContact O-N 3.11Å; F131-M135 HydrophobicContact CD1-CG 4.03Å; F131-M135 HydrophobicContact CE1-CG 3.55Å; F131-M135 HydrophobicContact CE1-SD 4.35Å; F131-M135 HydrophobicContact CE2-CG 4.45Å; F131-M135 HydrophobicContact CE2-SD 4.45Å; F131-M135 HydrophobicContact CZ-CG 3.78Å; F131-M135 HydrophobicContact CZ-SD 3.96Å; F131-M135 WeakPolarHBondContact O-CG 3.37Å; F131-M135 PolarHBondContact O-N 2.85Å; F131-T162 HydrophobicContact CE1-CG2 4.45Å; F131-T162 HydrophobicContact CZ-CG2 3.83Å; F131-Y163 HydrophobicContact CB-CD2 3.65Å; F131-Y163 HydrophobicContact CB-CE2 4.18Å; F131-Y163 HydrophobicContact CD1-CD2 4.12Å; F131-Y163 HydrophobicContact CD1-CG 4.44Å; F131-Y163 HydrophobicContact CD2-CD2 4.09Å; F131-Y163 AromaticContact CG-CD2 3.67Å; F131-Y163 HydrophobicContact CG-CD2 3.67Å; F131-Y163 HydrophobicContact CG-CG 4.41Å; F131-N166 HydrophobicContact CD2-CB 4.44Å; F131-N166 HydrophobicContact CE2-CB 3.85Å; F131-F254 AromaticContact CD1-CE1 3.9Å; F131-F254 HydrophobicContact CD1-CE1 3.9Å; F131-F254 HydrophobicContact CE1-CE1 4.38Å; F131-L392 HydrophobicContact CD2-CD1 3.7Å; F131-L392 HydrophobicContact CE2-CD1 3.86Å; F131-L392 HydrophobicContact CE2-CG 4.39Å
132	N	88.2	Confident	89.2	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-63.5	-38.9	-179.3	66.6	2.3	0	0	0	112.2	S128 S129 H134 M135 R136 D158 F254	S128-N132 VanDerWaalsContact O-CG 3.25Å; S128-N132 PolarHBondContact O-N 3.33Å; S128-N132 PolarHBondContact O-OD1 2.91Å; S129-N132 WeakPolarHBondContact CA-OD1 3.25Å; S129-N132 PolarHBondContact O-OD1 2.75Å; N132-H134 VanDerWaalsContact C-N 3.31Å; N132-H134 PolarHBondContact O-N 3.48Å; N132-M135 PolarHBondContact O-N 3.22Å; N132-R136 WeakPolarHBondContact O-CB 3.49Å; N132-R136 WeakPolarHBondContact O-CD 3.27Å; N132-R136 WeakPolarHBondContact O-CG 3.45Å; N132-R136 PolarHBondContact O-N 3.22Å; N132-D158 WeakPolarHBondContact CA-OD1 3.43Å; N132-D158 WeakPolarHBondContact CB-OD1 3.45Å; N132-F254 HydrophobicContact CB-CD1 4.37Å; N132-F254 HydrophobicContact CB-CE1 4.32Å
133	K	88.2	Confident	89.3	Confident	114 Å²	114	52.7 Å²	52.7	50%	0.496	27%	0.273	S	S	.	.	H	α-helix	trans	-61.2	-41.4	173.1	-76.4	178.5	-173.9	179.1	0	111.3	S129 I130 F131 R136 N137	S129-K133 WeakPolarHBondContact O-CB 3.48Å; S129-K133 VanDerWaalsContact O-CD 3.27Å; S129-K133 WeakPolarHBondContact O-CD 3.43Å; S129-K133 WeakPolarHBondContact O-CG 3.2Å; I130-K133 PolarHBondContact O-N 2.96Å; F131-K133 VanDerWaalsContact C-N 3.35Å; F131-K133 PolarHBondContact O-N 2.96Å; K133-R136 PolarHBondContact O-N 2.98Å; K133-N137 WeakPolarHBondContact O-CB 3.27Å; K133-N137 PolarHBondContact O-N 3.37Å; K133-N137 PolarHBondContact O-ND2 3.44Å
134	H	88.3	Confident	89.6	Confident	71 Å²	71	56.1 Å²	56.1	33%	0.329	28%	0.275	S	S	.	.	H	α-helix	trans	-61.4	-49.7	175.4	-173.2	76	0	0	0	111.1	I130 F131 N132 R136 N137 L138	I130-H134 WeakPolarHBondContact O-CB 3.42Å; I130-H134 PolarHBondContact O-N 3.32Å; F131-H134 WeakPolarHBondContact O-CB 3.41Å; F131-H134 PolarHBondContact O-N 3.28Å; F131-H134 VanDerWaalsContact O-N 3.11Å; N132-H134 VanDerWaalsContact C-N 3.31Å; N132-H134 PolarHBondContact O-N 3.48Å; H134-R136 PolarHBondContact O-N 2.95Å; H134-N137 PolarHBondContact O-N 3.01Å; H134-L138 VanDerWaalsContact CD2-CD1 3.43Å; H134-L138 WeakPolarHBondContact CD2-CD1 3.43Å; H134-L138 VanDerWaalsContact NE2-CD1 3.34Å; H134-L138 WeakPolarHBondContact NE2-CD1 3.3Å; H134-L138 VanDerWaalsContact O-CG 3.31Å; H134-L138 WeakPolarHBondContact O-CG 3.43Å; H134-L138 PolarHBondContact O-N 3.26Å
135	M	88.9	Confident	89.8	Confident	1 Å²	1	57 Å²	57	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-58.3	-45.3	177.3	-67.7	-52.2	-56.4	0	0	112.4	F131 N132 N137 L138 T139 L154 D158 I391	F131-M135 HydrophobicContact CD1-CG 4.03Å; F131-M135 HydrophobicContact CE1-CG 3.55Å; F131-M135 HydrophobicContact CE1-SD 4.35Å; F131-M135 HydrophobicContact CE2-CG 4.45Å; F131-M135 HydrophobicContact CE2-SD 4.45Å; F131-M135 HydrophobicContact CZ-CG 3.78Å; F131-M135 HydrophobicContact CZ-SD 3.96Å; F131-M135 WeakPolarHBondContact O-CG 3.37Å; F131-M135 PolarHBondContact O-N 2.85Å; N132-M135 PolarHBondContact O-N 3.22Å; M135-N137 PolarHBondContact O-N 2.91Å; M135-L138 WeakPolarHBondContact O-CB 3.45Å; M135-L138 PolarHBondContact O-N 2.89Å; M135-L138 HydrophobicContact SD-CD1 4.33Å; M135-T139 PolarHBondContact O-N 3Å; M135-T139 PolarHBondContact O-OG1 2.86Å; M135-T139 VanDerWaalsContact O-OG1 3.14Å; M135-L154 HydrophobicContact CE-CD2 4.05Å; M135-D158 HydrophobicContact CB-CB 4.31Å; M135-I391 HydrophobicContact CE-CD1 4.26Å; M135-I391 HydrophobicContact SD-CD1 4.41Å
136	R	89.4	Confident	89.9	Confident	73 Å²	73	63.2 Å²	63.2	28%	0.275	31%	0.312	S	S	.	.	H	α-helix	trans	-64.3	-40.1	178	-68.2	163.4	-176.4	-164.3	-4.9	112.9	N132 K133 H134 L138 T139 H140 D158 A253	N132-R136 WeakPolarHBondContact O-CB 3.49Å; N132-R136 WeakPolarHBondContact O-CD 3.27Å; N132-R136 WeakPolarHBondContact O-CG 3.45Å; N132-R136 PolarHBondContact O-N 3.22Å; K133-R136 PolarHBondContact O-N 2.98Å; H134-R136 PolarHBondContact O-N 2.95Å; R136-L138 VanDerWaalsContact C-N 3.3Å; R136-L138 PolarHBondContact O-N 2.92Å; R136-T139 PolarHBondContact O-N 3.5Å; R136-H140 VanDerWaalsContact O-CB 3.27Å; R136-H140 WeakPolarHBondContact O-CB 3.38Å; R136-H140 PolarHBondContact O-N 2.97Å; R136-D158 IonicContact CZ-OD2 2.83Å; R136-D158 IonicContact NE-OD2 3.81Å; R136-D158 PolarHBondContact NE-OD2 3.06Å; R136-D158 VanDerWaalsContact NE-OD2 3.1Å; R136-D158 IonicContact NH2-OD2 2.8Å; R136-A253 PolarHBondContact NH2-O 2.71Å
137	N	90.5	Very high	90	Very high	111 Å²	111	63.8 Å²	63.8	59%	0.594	32%	0.317	S	S	*	.	H	α-helix	trans	-64.5	-37.9	176.2	-74.5	-13.4	0	0	0	111.4	K133 H134 M135 K141	K133-N137 WeakPolarHBondContact O-CB 3.27Å; K133-N137 PolarHBondContact O-N 3.37Å; K133-N137 PolarHBondContact O-ND2 3.44Å; H134-N137 PolarHBondContact O-N 3.01Å; M135-N137 PolarHBondContact O-N 2.91Å; N137-K141 WeakPolarHBondContact O-CB 3.3Å; N137-K141 PolarHBondContact O-N 3.21Å
138	L	88.2	Confident	90.1	Very high	22 Å²	22	66.9 Å²	66.9	12%	0.115	33%	0.334	C	S	.	.	H	α-helix	trans	-66.5	-50.2	174.9	-69.8	166.6	0	0	0	111.4	H134 M135 R136 H140 K141 F142 F396	H134-L138 VanDerWaalsContact CD2-CD1 3.43Å; H134-L138 WeakPolarHBondContact CD2-CD1 3.43Å; H134-L138 VanDerWaalsContact NE2-CD1 3.34Å; H134-L138 WeakPolarHBondContact NE2-CD1 3.3Å; H134-L138 VanDerWaalsContact O-CG 3.31Å; H134-L138 WeakPolarHBondContact O-CG 3.43Å; H134-L138 PolarHBondContact O-N 3.26Å; M135-L138 WeakPolarHBondContact O-CB 3.45Å; M135-L138 PolarHBondContact O-N 2.89Å; M135-L138 HydrophobicContact SD-CD1 4.33Å; R136-L138 VanDerWaalsContact C-N 3.3Å; R136-L138 PolarHBondContact O-N 2.92Å; L138-H140 VanDerWaalsContact C-N 3.26Å; L138-H140 PolarHBondContact O-N 3.37Å; L138-K141 WeakPolarHBondContact O-CB 3.39Å; L138-K141 PolarHBondContact O-N 2.7Å; L138-F142 VanDerWaalsContact O-CD2 3.3Å; L138-F142 WeakPolarHBondContact O-CD2 3.15Å; L138-F142 PolarHBondContact O-N 3.32Å; L138-F396 HydrophobicContact CB-CE1 4.49Å; L138-F396 HydrophobicContact CB-CZ 4.25Å; L138-F396 HydrophobicContact CD1-CD1 4.47Å; L138-F396 HydrophobicContact CD1-CD2 3.86Å; L138-F396 HydrophobicContact CD1-CE1 3.91Å; L138-F396 HydrophobicContact CD1-CE2 3.22Å; L138-F396 HydrophobicContact CD1-CG 4.45Å; L138-F396 HydrophobicContact CD1-CZ 3.33Å; L138-F396 HydrophobicContact CD2-CD1 3.78Å; L138-F396 HydrophobicContact CD2-CE1 3.48Å; L138-F396 VanDerWaalsContact CD2-CE1 3.48Å; L138-F396 HydrophobicContact CD2-CE2 4.3Å; L138-F396 HydrophobicContact CD2-CG 4.32Å; L138-F396 HydrophobicContact CD2-CZ 3.85Å; L138-F396 HydrophobicContact CG-CE1 4.14Å; L138-F396 HydrophobicContact CG-CE2 4.29Å; L138-F396 HydrophobicContact CG-CZ 3.99Å
139	T	90.3	Very high	90.1	Very high	18 Å²	18	72.6 Å²	72.6	11%	0.11	37%	0.365	C	S	.	.	H	α-helix	trans	-54.2	-45.2	174.3	-61	0	0	0	0	111.1	M135 R136 K141 F142 L143 A151	M135-T139 PolarHBondContact O-N 3Å; M135-T139 PolarHBondContact O-OG1 2.86Å; M135-T139 VanDerWaalsContact O-OG1 3.14Å; R136-T139 PolarHBondContact O-N 3.5Å; T139-K141 VanDerWaalsContact C-N 3.35Å; T139-K141 PolarHBondContact O-N 2.92Å; T139-F142 PolarHBondContact O-N 3.12Å; T139-L143 HydrophobicContact CG2-CD1 4.4Å; T139-L143 WeakPolarHBondContact O-CG 3.35Å; T139-L143 PolarHBondContact O-N 2.62Å; T139-A151 HydrophobicContact CG2-CB 4.16Å
140	H	92.7	Very high	90.1	Very high	100 Å²	100	72.2 Å²	72.2	46%	0.463	36%	0.363	S	S	.	.	H	α-helix	trans	-62.6	-39.3	177.2	-177.9	-127.3	0	0	0	112.7	R136 L138 L143 M144	R136-H140 VanDerWaalsContact O-CB 3.27Å; R136-H140 WeakPolarHBondContact O-CB 3.38Å; R136-H140 PolarHBondContact O-N 2.97Å; L138-H140 VanDerWaalsContact C-N 3.26Å; L138-H140 PolarHBondContact O-N 3.37Å; H140-L143 PolarHBondContact O-N 3.5Å; H140-M144 WeakPolarHBondContact NE2-CE 3.3Å; H140-M144 WeakPolarHBondContact O-CG 3.48Å; H140-M144 PolarHBondContact O-N 2.93Å
141	K	91.4	Very high	90.1	Very high	131 Å²	131	67.4 Å²	67.4	57%	0.57	34%	0.339	S	S	*	.	H	α-helix	trans	-60.8	-46	175	-175.3	-177.9	174.6	-174.7	0	111.5	N137 L138 T139 L143 M144 D145	N137-K141 WeakPolarHBondContact O-CB 3.3Å; N137-K141 PolarHBondContact O-N 3.21Å; L138-K141 WeakPolarHBondContact O-CB 3.39Å; L138-K141 PolarHBondContact O-N 2.7Å; T139-K141 VanDerWaalsContact C-N 3.35Å; T139-K141 PolarHBondContact O-N 2.92Å; K141-L143 VanDerWaalsContact C-N 3.32Å; K141-L143 PolarHBondContact O-N 2.98Å; K141-M144 WeakPolarHBondContact O-CB 3.47Å; K141-M144 PolarHBondContact O-N 3.39Å; K141-M144 VanDerWaalsContact O-N 3.09Å; K141-D145 PolarHBondContact O-N 3.47Å
142	F	90.5	Very high	90	Very high	22 Å²	22	73.1 Å²	73.1	10%	0.096	37%	0.366	C	S	.	.	H	α-helix	trans	-62.9	-37.3	176.8	-83.5	-74.5	0	0	0	113.5	L138 T139 M144 D145 N146 D147 A150 A151 L154 F396 I398	L138-F142 VanDerWaalsContact O-CD2 3.3Å; L138-F142 WeakPolarHBondContact O-CD2 3.15Å; L138-F142 PolarHBondContact O-N 3.32Å; T139-F142 PolarHBondContact O-N 3.12Å; F142-M144 VanDerWaalsContact C-N 3.31Å; F142-M144 PolarHBondContact O-N 3.46Å; F142-D145 CarbonylContact O-C 3.55Å; F142-D145 PolarHBondContact O-N 2.94Å; F142-N146 PolarHBondContact O-N 3.04Å; F142-D147 HydrophobicContact CD1-CB 4Å; F142-D147 PolarHBondContact O-N 3.07Å; F142-A150 HydrophobicContact CB-CB 4.48Å; F142-A150 HydrophobicContact CD1-CB 3.5Å; F142-A150 VanDerWaalsContact CD1-CB 3.5Å; F142-A150 HydrophobicContact CE1-CB 3.76Å; F142-A150 HydrophobicContact CG-CB 3.97Å; F142-A150 HydrophobicContact CZ-CB 4.43Å; F142-A151 HydrophobicContact CB-CB 3.89Å; F142-L154 HydrophobicContact CD2-CD1 3.2Å; F142-L154 HydrophobicContact CE2-CD1 3.3Å; F142-L154 HydrophobicContact CG-CD1 4.16Å; F142-L154 HydrophobicContact CZ-CD1 4.3Å; F142-F396 HydrophobicContact CE2-CE1 4.15Å; F142-I398 HydrophobicContact CE2-CD1 3.79Å; F142-I398 HydrophobicContact CE2-CG1 3.7Å; F142-I398 HydrophobicContact CE2-CG2 4.48Å; F142-I398 HydrophobicContact CZ-CB 4.04Å; F142-I398 HydrophobicContact CZ-CD1 3.34Å; F142-I398 HydrophobicContact CZ-CG1 3.41Å; F142-I398 VanDerWaalsContact CZ-CG1 3.41Å; F142-I398 HydrophobicContact CZ-CG2 3.84Å
143	L	93.1	Very high	89.8	Confident	87 Å²	87	75.9 Å²	75.9	46%	0.455	38%	0.383	S	S	.	.	H	α-helix	trans	-62.3	-39.9	172.1	-69.1	171.7	0	0	0	111.8	T139 H140 K141 D145 N146 A151	T139-L143 HydrophobicContact CG2-CD1 4.4Å; T139-L143 WeakPolarHBondContact O-CG 3.35Å; T139-L143 PolarHBondContact O-N 2.62Å; H140-L143 PolarHBondContact O-N 3.5Å; K141-L143 VanDerWaalsContact C-N 3.32Å; K141-L143 PolarHBondContact O-N 2.98Å; L143-D145 VanDerWaalsContact C-N 3.33Å; L143-N146 PolarHBondContact O-N 3.36Å; L143-A151 HydrophobicContact CD2-CB 3.51Å; L143-A151 HydrophobicContact CG-CB 3.63Å
144	M	94.7	Very high	89.7	Confident	135 Å²	135	70.6 Å²	70.6	67%	0.665	36%	0.36	S	S	*	.	H	α-helix	trans	-69.7	-30.6	177	-69.9	-65.9	170.8	0	0	112.9	H140 K141 F142 N146	H140-M144 WeakPolarHBondContact NE2-CE 3.3Å; H140-M144 WeakPolarHBondContact O-CG 3.48Å; H140-M144 PolarHBondContact O-N 2.93Å; K141-M144 WeakPolarHBondContact O-CB 3.47Å; K141-M144 PolarHBondContact O-N 3.39Å; K141-M144 VanDerWaalsContact O-N 3.09Å; F142-M144 VanDerWaalsContact C-N 3.31Å; F142-M144 PolarHBondContact O-N 3.46Å; M144-N146 PolarHBondContact O-N 2.9Å
145	D	92.3	Very high	89.7	Confident	106 Å²	106	72.6 Å²	72.6	57%	0.567	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	3	173.9	-64.7	-23	0	0	0	112.6	K141 F142 L143 D147	K141-D145 PolarHBondContact O-N 3.47Å; F142-D145 CarbonylContact O-C 3.55Å; F142-D145 PolarHBondContact O-N 2.94Å; L143-D145 VanDerWaalsContact C-N 3.33Å; D145-D147 PolarHBondContact O-N 3.32Å
146	N	92.9	Very high	89.6	Confident	137 Å²	137	78 Å²	78	73%	0.733	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	25.8	-179.1	-161	50.3	0	0	0	114.6	F142 L143 M144	F142-N146 PolarHBondContact O-N 3.04Å; L143-N146 PolarHBondContact O-N 3.36Å; M144-N146 PolarHBondContact O-N 2.9Å
147	D	90.1	Very high	89.5	Confident	69 Å²	69	76.4 Å²	76.4	37%	0.369	39%	0.385	S	S	.	.			trans	-99.8	79.4	173	-175.2	-7.3	0	0	0	109.2	F142 D145 D149 A150 A151	F142-D147 HydrophobicContact CD1-CB 4Å; F142-D147 PolarHBondContact O-N 3.07Å; D145-D147 PolarHBondContact O-N 3.32Å; D147-D149 VanDerWaalsContact C-N 3.32Å; D147-D149 PolarHBondContact O-N 2.98Å; D147-A150 HydrophobicContact CB-CB 4.33Å; D147-A150 VanDerWaalsContact OD1-CB 3.29Å; D147-A150 WeakPolarHBondContact OD1-CB 3.31Å; D147-A150 PolarHBondContact OD1-N 3.11Å; D147-A150 VanDerWaalsContact OD1-N 3.08Å; D147-A150 WeakPolarHBondContact OD2-CB 3.38Å; D147-A151 PolarHBondContact O-N 3.2Å; D147-A151 VanDerWaalsContact O-N 3.12Å
148	V	91	Very high	89.5	Confident	79 Å²	79	71.2 Å²	71.2	48%	0.479	36%	0.357	S	S	.	.	H	α-helix	trans	-66	-36.3	-175.1	-178.4	0	0	0	0	111.4	A151 E152	V148-A151 PolarHBondContact O-N 2.89Å; V148-E152 WeakPolarHBondContact O-CB 3.27Å; V148-E152 PolarHBondContact O-N 3.49Å
149	D	87.5	Confident	89.6	Confident	121 Å²	121	70.8 Å²	70.8	65%	0.647	36%	0.356	S	S	*	.	H	α-helix	trans	-65.5	-42.5	-179.1	-64.4	-25.7	0	0	0	111.2	D147 T153	D147-D149 VanDerWaalsContact C-N 3.32Å; D147-D149 PolarHBondContact O-N 2.98Å; D149-T153 WeakPolarHBondContact O-CB 3.43Å; D149-T153 PolarHBondContact O-N 2.86Å; D149-T153 PolarHBondContact O-OG1 3.28Å
150	A	85.6	Confident	89.7	Confident	15 Å²	15	70.6 Å²	70.6	12%	0.124	35%	0.354	C	S	.	.	H	α-helix	trans	-66.9	-40.1	174.2	0	0	0	0	0	111.8	F142 D147 T153 L154	F142-A150 HydrophobicContact CB-CB 4.48Å; F142-A150 HydrophobicContact CD1-CB 3.5Å; F142-A150 VanDerWaalsContact CD1-CB 3.5Å; F142-A150 HydrophobicContact CE1-CB 3.76Å; F142-A150 HydrophobicContact CG-CB 3.97Å; F142-A150 HydrophobicContact CZ-CB 4.43Å; D147-A150 HydrophobicContact CB-CB 4.33Å; D147-A150 VanDerWaalsContact OD1-CB 3.29Å; D147-A150 WeakPolarHBondContact OD1-CB 3.31Å; D147-A150 PolarHBondContact OD1-N 3.11Å; D147-A150 VanDerWaalsContact OD1-N 3.08Å; D147-A150 WeakPolarHBondContact OD2-CB 3.38Å; A150-T153 PolarHBondContact O-N 3.36Å; A150-L154 WeakPolarHBondContact O-CB 3.46Å; A150-L154 WeakPolarHBondContact O-CG 3.33Å; A150-L154 PolarHBondContact O-N 3.01Å
151	A	89.3	Confident	89.7	Confident	3 Å²	3	66.4 Å²	66.4	3%	0.025	34%	0.336	C	S	.	.	H	α-helix	trans	-63.1	-46	177	0	0	0	0	0	112.4	T139 F142 L143 D147 V148 T153 L154 Y155	T139-A151 HydrophobicContact CG2-CB 4.16Å; F142-A151 HydrophobicContact CB-CB 3.89Å; L143-A151 HydrophobicContact CD2-CB 3.51Å; L143-A151 HydrophobicContact CG-CB 3.63Å; D147-A151 PolarHBondContact O-N 3.2Å; D147-A151 VanDerWaalsContact O-N 3.12Å; V148-A151 PolarHBondContact O-N 2.89Å; A151-T153 VanDerWaalsContact C-N 3.33Å; A151-T153 PolarHBondContact O-N 3.4Å; A151-L154 PolarHBondContact O-N 2.86Å; A151-Y155 WeakPolarHBondContact O-CB 3.42Å; A151-Y155 PolarHBondContact O-N 3.31Å
152	E	87.7	Confident	89.7	Confident	120 Å²	120	60.4 Å²	60.4	56%	0.561	31%	0.31	S	S	*	.	H	α-helix	trans	-60.4	-44.7	176	-177.9	178.1	-171.6	0	0	110.9	V148 Y155	V148-E152 WeakPolarHBondContact O-CB 3.27Å; V148-E152 PolarHBondContact O-N 3.49Å; E152-Y155 WeakPolarHBondContact O-CB 3.41Å; E152-Y155 PolarHBondContact O-N 3.01Å
153	T	84.1	Confident	89.8	Confident	58 Å²	58	59.4 Å²	59.4	36%	0.356	31%	0.306	S	S	.	.	H	α-helix	trans	-59.4	-51.1	176.2	-59.5	0	0	0	0	110.6	D149 A150 A151 Y155 Q156 Y157 I405	D149-T153 WeakPolarHBondContact O-CB 3.43Å; D149-T153 PolarHBondContact O-N 2.86Å; D149-T153 PolarHBondContact O-OG1 3.28Å; A150-T153 PolarHBondContact O-N 3.36Å; A151-T153 VanDerWaalsContact C-N 3.33Å; A151-T153 PolarHBondContact O-N 3.4Å; T153-Y155 VanDerWaalsContact C-N 3.32Å; T153-Y155 PolarHBondContact O-N 3.21Å; T153-Q156 WeakPolarHBondContact O-CB 3.33Å; T153-Q156 PolarHBondContact O-N 3.4Å; T153-Y157 HydrophobicContact CG2-CE2 3.98Å; T153-Y157 WeakPolarHBondContact O-CD2 3.33Å; T153-I405 HydrophobicContact CG2-CD1 4.04Å
154	L	86.4	Confident	89.9	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.016	29%	0.285	C	S	.	.	H	α-helix	trans	-66.1	-30.4	-177.5	-75.6	170.8	0	0	0	113.7	M135 F142 A150 A151 Q156 Y157 F396 L401	M135-L154 HydrophobicContact CE-CD2 4.05Å; F142-L154 HydrophobicContact CD2-CD1 3.2Å; F142-L154 HydrophobicContact CE2-CD1 3.3Å; F142-L154 HydrophobicContact CG-CD1 4.16Å; F142-L154 HydrophobicContact CZ-CD1 4.3Å; A150-L154 WeakPolarHBondContact O-CB 3.46Å; A150-L154 WeakPolarHBondContact O-CG 3.33Å; A150-L154 PolarHBondContact O-N 3.01Å; A151-L154 PolarHBondContact O-N 2.86Å; L154-Q156 PolarHBondContact O-N 2.89Å; L154-Y157 WeakPolarHBondContact O-CB 3.48Å; L154-Y157 PolarHBondContact O-N 3.16Å; L154-F396 HydrophobicContact CD1-CZ 4.4Å; L154-F396 HydrophobicContact CD2-CZ 4.14Å; L154-L401 HydrophobicContact CD2-CD2 3.99Å
155	Y	86.7	Confident	89.9	Confident	113 Å²	113	49.9 Å²	49.9	44%	0.443	26%	0.257	S	S	.	.	H	α-helix	trans	-56.5	-37.9	174.1	171.3	-94.7	0	0	0	111.7	A151 E152 T153 Y157 D158 L255	A151-Y155 WeakPolarHBondContact O-CB 3.42Å; A151-Y155 PolarHBondContact O-N 3.31Å; E152-Y155 WeakPolarHBondContact O-CB 3.41Å; E152-Y155 PolarHBondContact O-N 3.01Å; T153-Y155 VanDerWaalsContact C-N 3.32Å; T153-Y155 PolarHBondContact O-N 3.21Å; Y155-Y157 PolarHBondContact O-N 3.3Å; Y155-D158 PolarHBondContact O-N 3.44Å; Y155-L255 HydrophobicContact CD2-CD1 4.1Å; Y155-L255 HydrophobicContact CE2-CB 4.06Å; Y155-L255 HydrophobicContact CE2-CD1 3.53Å; Y155-L255 HydrophobicContact CE2-CG 4.39Å
156	Q	86.9	Confident	89.8	Confident	116 Å²	116	45.9 Å²	45.9	54%	0.542	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-17.7	177.9	-59.9	-178.7	2.9	0	0	113.4	T153 L154	T153-Q156 WeakPolarHBondContact O-CB 3.33Å; T153-Q156 PolarHBondContact O-N 3.4Å; L154-Q156 PolarHBondContact O-N 2.89Å
157	Y	88.2	Confident	89.8	Confident	39 Å²	39	40 Å²	40	15%	0.153	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-3.7	177.1	-74.3	-91.3	0	0	0	113.1	T153 L154 Y155 S159 T162 I391 L401 I405	T153-Y157 HydrophobicContact CG2-CE2 3.98Å; T153-Y157 WeakPolarHBondContact O-CD2 3.33Å; L154-Y157 WeakPolarHBondContact O-CB 3.48Å; L154-Y157 PolarHBondContact O-N 3.16Å; Y155-Y157 PolarHBondContact O-N 3.3Å; Y157-S159 PolarHBondContact O-N 3.36Å; Y157-T162 HydrophobicContact CD1-CG2 3.65Å; Y157-T162 HydrophobicContact CG-CG2 4.36Å; Y157-T162 VanDerWaalsContact O-CB 3.26Å; Y157-T162 WeakPolarHBondContact O-CB 3.38Å; Y157-T162 PolarHBondContact O-OG1 2.96Å; Y157-I391 HydrophobicContact CD1-CD1 3.86Å; Y157-I391 HydrophobicContact CG-CD1 4.22Å; Y157-L401 HydrophobicContact CE1-CD1 4.14Å; Y157-I405 HydrophobicContact CE2-CD1 3.78Å; Y157-I405 WeakPolarHBondContact OH-CD1 3.27Å; Y157-I405 WeakPolarHBondContact OH-CG1 3.12Å
158	D	89.3	Confident	89.8	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.011	22%	0.218	C	C	.	.			trans	-76.4	62.3	167.1	-166.3	11.3	0	0	0	110.6	N132 M135 R136 Y155 F254 L255	N132-D158 WeakPolarHBondContact CA-OD1 3.43Å; N132-D158 WeakPolarHBondContact CB-OD1 3.45Å; M135-D158 HydrophobicContact CB-CB 4.31Å; R136-D158 IonicContact CZ-OD2 2.83Å; R136-D158 IonicContact NE-OD2 3.81Å; R136-D158 PolarHBondContact NE-OD2 3.06Å; R136-D158 VanDerWaalsContact NE-OD2 3.1Å; R136-D158 IonicContact NH2-OD2 2.8Å; Y155-D158 PolarHBondContact O-N 3.44Å; D158-F254 WeakPolarHBondContact OD1-CD1 3.49Å; D158-L255 PolarHBondContact O-N 3.11Å; D158-L255 WeakPolarHBondContact OD2-CD1 3.49Å; D158-L255 WeakPolarHBondContact OD2-CG 3.37Å
159	S	91.1	Very high	89.8	Confident	12 Å²	12	41.1 Å²	41.1	8%	0.084	20%	0.204	C	C	.	.	S	Bend	trans	-135	152.6	-176.6	60.1	0	0	0	0	112.7	Y157 S161 T162 Y163 F254 D257	Y157-S159 PolarHBondContact O-N 3.36Å; S159-S161 VanDerWaalsContact C-N 3.29Å; S159-S161 PolarHBondContact O-N 3.22Å; S159-T162 PolarHBondContact O-N 2.92Å; S159-T162 VanDerWaalsContact O-N 3.12Å; S159-T162 PolarHBondContact OG-OG1 3.41Å; S159-Y163 PolarHBondContact O-N 3.01Å; S159-F254 VanDerWaalsContact C-CD1 3.48Å; S159-D257 VanDerWaalsContact CB-OD1 3.25Å; S159-D257 WeakPolarHBondContact CB-OD1 3.29Å
160	L	91.6	Very high	90	Very high	14 Å²	14	40.6 Å²	40.6	7%	0.073	20%	0.199	C	C	.	.	H	α-helix	trans	-61.8	-37.4	178	-179.8	71.8	0	0	0	111.6	P111 F112 T162 Y163 Y164 T214 F216 F254 D257	P111-L160 HydrophobicContact CB-CD2 4.35Å; P111-L160 HydrophobicContact CG-CD1 4.16Å; P111-L160 HydrophobicContact CG-CD2 3.72Å; F112-L160 HydrophobicContact CE1-CD1 4.35Å; F112-L160 HydrophobicContact CE2-CD1 4.47Å; F112-L160 HydrophobicContact CZ-CD1 3.74Å; L160-T162 VanDerWaalsContact C-N 3.29Å; L160-T162 PolarHBondContact O-N 3.38Å; L160-Y163 HydrophobicContact CD1-CD1 4Å; L160-Y163 WeakPolarHBondContact O-CB 3.43Å; L160-Y163 PolarHBondContact O-N 2.88Å; L160-Y164 WeakPolarHBondContact O-CB 3.34Å; L160-Y164 PolarHBondContact O-N 2.67Å; L160-T214 WeakPolarHBondContact CD2-O 3.46Å; L160-F216 HydrophobicContact CD1-CE2 3.84Å; L160-F216 HydrophobicContact CD1-CZ 4.37Å; L160-F216 HydrophobicContact CD2-CE2 4.46Å; L160-F216 HydrophobicContact CG-CE2 4.08Å; L160-F254 HydrophobicContact CB-CD2 3.91Å; L160-F254 HydrophobicContact CB-CE2 3.99Å; L160-F254 HydrophobicContact CB-CG 4.47Å; L160-F254 HydrophobicContact CD1-CD2 4.29Å; L160-F254 HydrophobicContact CD1-CE2 3.65Å; L160-F254 HydrophobicContact CD1-CZ 4.31Å; L160-F254 HydrophobicContact CG-CE2 4.45Å; L160-D257 WeakPolarHBondContact CA-OD2 3.27Å; L160-D257 WeakPolarHBondContact CB-OD2 3.44Å; L160-D257 PolarHBondContact N-OD2 2.97Å
161	S	92.8	Very high	90.4	Very high	12 Å²	12	40.8 Å²	40.8	8%	0.084	20%	0.199	C	C	.	.	H	α-helix	trans	-61.3	-38.9	174.8	-176.2	0	0	0	0	111.7	S159 Q165 H213	S159-S161 VanDerWaalsContact C-N 3.29Å; S159-S161 PolarHBondContact O-N 3.22Å; S161-Q165 VanDerWaalsContact O-CG 3.31Å; S161-Q165 WeakPolarHBondContact O-CG 3.49Å; S161-Q165 PolarHBondContact O-N 3.35Å; S161-Q165 PolarHBondContact O-NE2 3.05Å; S161-Q165 VanDerWaalsContact O-NE2 3.13Å; S161-H213 PolarHBondContact OG-ND1 3.33Å
162	T	92.6	Very high	90.5	Very high	6 Å²	6	40.7 Å²	40.7	4%	0.037	20%	0.198	C	C	.	.	H	α-helix	trans	-72.1	-42.1	175	-53.4	0	0	0	0	111.1	F131 Y157 S159 L160 Y164 Q165 N166 I391	F131-T162 HydrophobicContact CE1-CG2 4.45Å; F131-T162 HydrophobicContact CZ-CG2 3.83Å; Y157-T162 HydrophobicContact CD1-CG2 3.65Å; Y157-T162 HydrophobicContact CG-CG2 4.36Å; Y157-T162 VanDerWaalsContact O-CB 3.26Å; Y157-T162 WeakPolarHBondContact O-CB 3.38Å; Y157-T162 PolarHBondContact O-OG1 2.96Å; S159-T162 PolarHBondContact O-N 2.92Å; S159-T162 VanDerWaalsContact O-N 3.12Å; S159-T162 PolarHBondContact OG-OG1 3.41Å; L160-T162 VanDerWaalsContact C-N 3.29Å; L160-T162 PolarHBondContact O-N 3.38Å; T162-Y164 VanDerWaalsContact C-N 3.3Å; T162-Y164 PolarHBondContact O-N 2.87Å; T162-Q165 WeakPolarHBondContact O-CB 3.04Å; T162-Q165 PolarHBondContact O-N 3.49Å; T162-Q165 VanDerWaalsContact O-N 3.07Å; T162-N166 PolarHBondContact O-N 2.93Å; T162-N166 PolarHBondContact O-ND2 2.84Å; T162-I391 HydrophobicContact CG2-CD1 3.94Å
163	Y	92.9	Very high	90.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-55.3	-46.2	173.1	167.8	-107.8	0	0	0	111.3	F112 M126 F131 S159 L160 Q165 N166 L167 L175 F216 F254	F112-Y163 AromaticContact CE1-CE1 3.97Å; F112-Y163 HydrophobicContact CE1-CE1 3.97Å; F112-Y163 HydrophobicContact CZ-CD1 4.36Å; F112-Y163 AromaticContact CZ-CE1 3.79Å; F112-Y163 HydrophobicContact CZ-CE1 3.79Å; M126-Y163 HydrophobicContact CE-CD2 4.11Å; M126-Y163 HydrophobicContact CE-CE2 3.98Å; M126-Y163 PolarHBondContact O-OH 3.21Å; F131-Y163 HydrophobicContact CB-CD2 3.65Å; F131-Y163 HydrophobicContact CB-CE2 4.18Å; F131-Y163 HydrophobicContact CD1-CD2 4.12Å; F131-Y163 HydrophobicContact CD1-CG 4.44Å; F131-Y163 HydrophobicContact CD2-CD2 4.09Å; F131-Y163 AromaticContact CG-CD2 3.67Å; F131-Y163 HydrophobicContact CG-CD2 3.67Å; F131-Y163 HydrophobicContact CG-CG 4.41Å; S159-Y163 PolarHBondContact O-N 3.01Å; L160-Y163 HydrophobicContact CD1-CD1 4Å; L160-Y163 WeakPolarHBondContact O-CB 3.43Å; L160-Y163 PolarHBondContact O-N 2.88Å; Y163-Q165 VanDerWaalsContact C-N 3.3Å; Y163-Q165 PolarHBondContact O-N 2.99Å; Y163-N166 PolarHBondContact O-N 3.04Å; Y163-L167 HydrophobicContact CD1-CD1 4.2Å; Y163-L167 HydrophobicContact CE1-CD1 3.67Å; Y163-L167 HydrophobicContact CE1-CG 4.33Å; Y163-L167 HydrophobicContact CE2-CD1 4.46Å; Y163-L167 HydrophobicContact CE2-CD2 3.94Å; Y163-L167 HydrophobicContact CE2-CG 4.29Å; Y163-L167 WeakPolarHBondContact O-CG 3.34Å; Y163-L167 PolarHBondContact O-N 3.25Å; Y163-L175 HydrophobicContact CE1-CD1 4.31Å; Y163-L175 WeakPolarHBondContact OH-CD1 3.1Å; Y163-F216 HydrophobicContact CD1-CZ 4.01Å; Y163-F216 AromaticContact CE1-CZ 3.89Å; Y163-F216 HydrophobicContact CE1-CZ 3.89Å; Y163-F254 HydrophobicContact CD1-CZ 4.23Å; Y163-F254 AromaticContact CG-CZ 3.93Å; Y163-F254 HydrophobicContact CG-CZ 3.93Å
164	Y	94.4	Very high	91.3	Very high	5 Å²	5	38 Å²	38	2%	0.02	18%	0.176	C	C	.	.	H	α-helix	trans	-55.2	-43.9	174.3	179.4	-81.4	0	0	0	112.3	L160 T162 N166 L167 A172 S211 H213 F216 I373 R377 Y387	L160-Y164 WeakPolarHBondContact O-CB 3.34Å; L160-Y164 PolarHBondContact O-N 2.67Å; T162-Y164 VanDerWaalsContact C-N 3.3Å; T162-Y164 PolarHBondContact O-N 2.87Å; Y164-N166 PolarHBondContact O-N 3.47Å; Y164-L167 PolarHBondContact O-N 3.1Å; Y164-A172 HydrophobicContact CD2-CB 4.04Å; Y164-A172 HydrophobicContact CE2-CB 3.62Å; Y164-S211 VanDerWaalsContact CE2-OG 3.3Å; Y164-S211 WeakPolarHBondContact CE2-OG 3.02Å; Y164-S211 VanDerWaalsContact OH-CB 3.3Å; Y164-S211 WeakPolarHBondContact OH-CB 3.26Å; Y164-S211 PolarHBondContact OH-OG 3.49Å; Y164-H213 HydrophobicContact CD1-CB 3.97Å; Y164-H213 HydrophobicContact CE1-CB 4.42Å; Y164-H213 HydrophobicContact CG-CB 4.16Å; Y164-F216 HydrophobicContact CD2-CD1 4.4Å; Y164-F216 HydrophobicContact CD2-CD2 4.07Å; Y164-F216 HydrophobicContact CD2-CE1 4.18Å; Y164-F216 AromaticContact CD2-CE2 3.83Å; Y164-F216 HydrophobicContact CD2-CE2 3.83Å; Y164-F216 HydrophobicContact CD2-CG 4.33Å; Y164-F216 AromaticContact CD2-CZ 3.88Å; Y164-F216 HydrophobicContact CD2-CZ 3.88Å; Y164-I373 HydrophobicContact CD1-CD1 3.96Å; Y164-I373 HydrophobicContact CE1-CD1 3.87Å; Y164-R377 PolarHBondContact OH-NH1 3.39Å; Y164-Y387 HydrophobicContact CE1-CE2 4.32Å
165	Q	93.7	Very high	91.6	Very high	17 Å²	17	37.9 Å²	37.9	8%	0.079	18%	0.175	C	C	.	.	H	α-helix	trans	-66.2	-15.3	178.9	-72.7	173.8	82.2	0	0	114	S161 T162 Y163 I373 Y387 G389	S161-Q165 VanDerWaalsContact O-CG 3.31Å; S161-Q165 WeakPolarHBondContact O-CG 3.49Å; S161-Q165 PolarHBondContact O-N 3.35Å; S161-Q165 PolarHBondContact O-NE2 3.05Å; S161-Q165 VanDerWaalsContact O-NE2 3.13Å; T162-Q165 WeakPolarHBondContact O-CB 3.04Å; T162-Q165 PolarHBondContact O-N 3.49Å; T162-Q165 VanDerWaalsContact O-N 3.07Å; Y163-Q165 VanDerWaalsContact C-N 3.3Å; Y163-Q165 PolarHBondContact O-N 2.99Å; Q165-I373 HydrophobicContact CG-CB 4.17Å; Q165-I373 HydrophobicContact CG-CD1 4.01Å; Q165-I373 HydrophobicContact CG-CG1 3.96Å; Q165-Y387 HydrophobicContact CB-CD2 3.95Å; Q165-Y387 HydrophobicContact CB-CG 4.17Å; Q165-Y387 HydrophobicContact CG-CD2 3.99Å; Q165-Y387 HydrophobicContact CG-CG 3.9Å; Q165-G389 VanDerWaalsContact OE1-CA 3.25Å
166	N	91.9	Very high	91.9	Very high	22 Å²	22	32.7 Å²	32.7	12%	0.118	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	2.9	178.5	-74.6	-84.2	0	0	0	113.4	F131 T162 Y163 Y164 G389 I391 L392	F131-N166 HydrophobicContact CD2-CB 4.44Å; F131-N166 HydrophobicContact CE2-CB 3.85Å; T162-N166 PolarHBondContact O-N 2.93Å; T162-N166 PolarHBondContact O-ND2 2.84Å; Y163-N166 PolarHBondContact O-N 3.04Å; Y164-N166 PolarHBondContact O-N 3.47Å; N166-G389 PolarHBondContact ND2-O 2.87Å; N166-G389 VanDerWaalsContact ND2-O 3.14Å; N166-I391 PolarHBondContact OD1-N 3.18Å; N166-L392 HydrophobicContact CB-CD1 4.09Å; N166-L392 HydrophobicContact CB-CG 4.42Å; N166-L392 PolarHBondContact OD1-N 3.19Å
167	L	91.8	Very high	92.2	Very high	14 Å²	14	27.6 Å²	27.6	7%	0.073	13%	0.132	C	C	.	.	S	Bend	trans	-91.8	151	172.4	-67.4	175.2	0	0	0	111.1	V125 M126 Y163 Y164 A172 L175 F216	V125-L167 HydrophobicContact CG1-CD2 3.86Å; M126-L167 HydrophobicContact CE-CD2 4.45Å; Y163-L167 HydrophobicContact CD1-CD1 4.2Å; Y163-L167 HydrophobicContact CE1-CD1 3.67Å; Y163-L167 HydrophobicContact CE1-CG 4.33Å; Y163-L167 HydrophobicContact CE2-CD1 4.46Å; Y163-L167 HydrophobicContact CE2-CD2 3.94Å; Y163-L167 HydrophobicContact CE2-CG 4.29Å; Y163-L167 WeakPolarHBondContact O-CG 3.34Å; Y163-L167 PolarHBondContact O-N 3.25Å; Y164-L167 PolarHBondContact O-N 3.1Å; L167-A172 HydrophobicContact CD1-CB 4.43Å; L167-L175 HydrophobicContact CD1-CD1 3.59Å; L167-F216 HydrophobicContact CD1-CE1 3.82Å; L167-F216 HydrophobicContact CD1-CZ 3.97Å
168	K	91.4	Very high	92.5	Very high	151 Å²	151	29.1 Å²	29.1	66%	0.657	14%	0.143	S	C	*	.			trans	-62.8	142.1	162.4	-61.9	177.4	-178.6	171.9	0	108.4	I170 D171 A172	K168-I170 HydrophobicContact CB-CG2 4.2Å; K168-I170 PolarHBondContact O-N 3.47Å; K168-I170 VanDerWaalsContact O-N 3.14Å; K168-D171 HydrophobicContact CB-CB 4.47Å; K168-D171 WeakPolarHBondContact CB-OD2 3.47Å; K168-D171 PolarHBondContact O-N 3.46Å; K168-A172 PolarHBondContact O-N 3.26Å; K168-A172 VanDerWaalsContact O-N 3.11Å
169	A	89.4	Confident	92.6	Very high	21 Å²	21	30.8 Å²	30.8	17%	0.174	15%	0.154	C	C	.	.	H	α-helix	trans	-54.7	-39	-177.7	0	0	0	0	0	112.9	D171 A172 Y173 Y380	A169-D171 VanDerWaalsContact C-N 3.33Å; A169-D171 PolarHBondContact O-N 3.44Å; A169-A172 PolarHBondContact O-N 2.92Å; A169-Y173 VanDerWaalsContact O-CD2 3.28Å; A169-Y173 WeakPolarHBondContact O-CD2 3.38Å; A169-Y173 PolarHBondContact O-N 3.37Å; A169-Y380 HydrophobicContact CB-CD1 3.44Å; A169-Y380 VanDerWaalsContact CB-CD1 3.44Å; A169-Y380 HydrophobicContact CB-CE1 3.89Å; A169-Y380 HydrophobicContact CB-CG 4.42Å
170	I	92	Very high	92.6	Very high	109 Å²	109	35.2 Å²	35.2	56%	0.559	18%	0.18	S	C	*	.	H	α-helix	trans	-63.9	-36.9	177.1	-170.6	61.4	0	0	0	112.6	K168 Y173 R174	K168-I170 HydrophobicContact CB-CG2 4.2Å; K168-I170 PolarHBondContact O-N 3.47Å; K168-I170 VanDerWaalsContact O-N 3.14Å; I170-Y173 PolarHBondContact O-N 2.83Å; I170-R174 VanDerWaalsContact O-CG 3.32Å; I170-R174 WeakPolarHBondContact O-CG 3.22Å; I170-R174 PolarHBondContact O-N 3.31Å; I170-R174 VanDerWaalsContact O-N 3.13Å
171	D	93.5	Very high	92.7	Very high	20 Å²	20	34.9 Å²	34.9	11%	0.107	18%	0.18	C	C	.	.	H	α-helix	trans	-73.5	-37.3	-178.5	-65.6	-34.7	0	0	0	110.9	V125 K168 A169 Y173 R174 L175	V125-D171 HydrophobicContact CG1-CB 3.92Å; V125-D171 HydrophobicContact CG2-CB 3.95Å; K168-D171 HydrophobicContact CB-CB 4.47Å; K168-D171 WeakPolarHBondContact CB-OD2 3.47Å; K168-D171 PolarHBondContact O-N 3.46Å; A169-D171 VanDerWaalsContact C-N 3.33Å; A169-D171 PolarHBondContact O-N 3.44Å; D171-Y173 VanDerWaalsContact C-N 3.28Å; D171-Y173 PolarHBondContact O-N 3.13Å; D171-R174 PolarHBondContact O-N 3.18Å; D171-R174 IonicContact OD1-NH1 2.57Å; D171-R174 PolarHBondContact OD1-NH1 3.11Å; D171-L175 WeakPolarHBondContact O-CG 3.27Å; D171-L175 PolarHBondContact O-N 3.23Å
172	A	93	Very high	92.7	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-55.9	-42.9	170.5	0	0	0	0	0	111.8	Y164 L167 K168 A169 R174 G176 F216	Y164-A172 HydrophobicContact CD2-CB 4.04Å; Y164-A172 HydrophobicContact CE2-CB 3.62Å; L167-A172 HydrophobicContact CD1-CB 4.43Å; K168-A172 PolarHBondContact O-N 3.26Å; K168-A172 VanDerWaalsContact O-N 3.11Å; A169-A172 PolarHBondContact O-N 2.92Å; A172-R174 PolarHBondContact O-N 2.04Å; A172-G176 PolarHBondContact O-N 3.12Å; A172-F216 HydrophobicContact CB-CE1 4.41Å; A172-F216 VanDerWaalsContact O-CD1 3.3Å; A172-F216 WeakPolarHBondContact O-CD1 3.45Å
173	Y	93	Very high	92.6	Very high	28 Å²	28	35.1 Å²	35.1	11%	0.11	18%	0.18	C	C	.	.	H	α-helix	trans	-67	-32.6	175	-82.9	-77.3	0	0	0	113.8	A169 I170 D171 K209 N217 N345 Y380	A169-Y173 VanDerWaalsContact O-CD2 3.28Å; A169-Y173 WeakPolarHBondContact O-CD2 3.38Å; A169-Y173 PolarHBondContact O-N 3.37Å; I170-Y173 PolarHBondContact O-N 2.83Å; D171-Y173 VanDerWaalsContact C-N 3.28Å; D171-Y173 PolarHBondContact O-N 3.13Å; Y173-K209 HydrophobicContact CD1-CD 4.48Å; Y173-N217 VanDerWaalsContact CD1-OD1 3.28Å; Y173-N217 WeakPolarHBondContact CD1-OD1 3.39Å; Y173-N217 PolarHBondContact O-ND2 3.4Å; Y173-N345 PolarHBondContact OH-OD1 3.1Å; Y173-N345 VanDerWaalsContact OH-OD1 3.12Å; Y173-Y380 HydrophobicContact CE2-CE1 4.32Å
174	R	94	Very high	92.6	Very high	93 Å²	93	35.4 Å²	35.4	35%	0.351	18%	0.181	S	C	.	.	H	α-helix	trans	-76.2	-30.1	-179	-70.5	167.6	69.7	-156.5	9.1	113	L119 I170 D171 A172	L119-R174 HydrophobicContact CD1-CB 3.7Å; I170-R174 VanDerWaalsContact O-CG 3.32Å; I170-R174 WeakPolarHBondContact O-CG 3.22Å; I170-R174 PolarHBondContact O-N 3.31Å; I170-R174 VanDerWaalsContact O-N 3.13Å; D171-R174 PolarHBondContact O-N 3.18Å; D171-R174 IonicContact OD1-NH1 2.57Å; D171-R174 PolarHBondContact OD1-NH1 3.11Å; A172-R174 PolarHBondContact O-N 2.04Å
175	L	93	Very high	92.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-76.7	-29.7	177.6	-68.3	176	0	0	0	112.6	F112 S113 A116 L119 R120 V125 Y163 L167 D171 F216	F112-L175 WeakPolarHBondContact CA-O 3.46Å; F112-L175 HydrophobicContact CD1-CB 4.19Å; F112-L175 HydrophobicContact CE1-CD1 4.42Å; S113-L175 PolarHBondContact N-O 2.52Å; S113-L175 PolarHBondContact OG-O 2.81Å; A116-L175 HydrophobicContact CB-CB 4.28Å; A116-L175 HydrophobicContact CB-CD2 3.7Å; A116-L175 WeakPolarHBondContact CB-O 3.33Å; L119-L175 HydrophobicContact CD1-CD2 4.48Å; R120-L175 HydrophobicContact CG-CD2 4.45Å; V125-L175 HydrophobicContact CB-CD2 4.39Å; V125-L175 HydrophobicContact CG1-CD1 3.84Å; V125-L175 HydrophobicContact CG1-CD2 4.22Å; V125-L175 HydrophobicContact CG1-CG 4.22Å; Y163-L175 HydrophobicContact CE1-CD1 4.31Å; Y163-L175 WeakPolarHBondContact OH-CD1 3.1Å; L167-L175 HydrophobicContact CD1-CD1 3.59Å; D171-L175 WeakPolarHBondContact O-CG 3.27Å; D171-L175 PolarHBondContact O-N 3.23Å; L175-F216 HydrophobicContact CB-CD1 3.96Å; L175-F216 HydrophobicContact CB-CE1 3.93Å; L175-F216 HydrophobicContact CD1-CE1 3.9Å
176	G	93.1	Very high	92.7	Very high	4 Å²	4	36.4 Å²	36.4	4%	0.041	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-69.6	165.1	179.8	0	0	0	0	0	114.3	P111 S113 A172 N217	P111-G176 WeakPolarHBondContact O-CA 3.22Å; S113-G176 VanDerWaalsContact CB-O 3.29Å; S113-G176 WeakPolarHBondContact CB-O 3.44Å; S113-G176 PolarHBondContact OG-O 2.78Å; A172-G176 PolarHBondContact O-N 3.12Å; G176-N217 WeakPolarHBondContact CA-ND2 3.15Å
177	H	94.3	Very high	92.8	Very high	9 Å²	9	36.4 Å²	36.4	4%	0.042	19%	0.185	C	C	.	.			trans	-60.4	151	169.2	-65.1	-80.2	0	0	0	112.1	H108 H110 F112 N217 H219	H108-H177 VanDerWaalsContact CB-CD2 3.46Å; H108-H177 WeakPolarHBondContact CB-CD2 3.48Å; H108-H177 AromaticContact CD2-CD2 3.87Å; H108-H177 AromaticContact CD2-CE1 3.9Å; H108-H177 AromaticContact CD2-NE2 3.73Å; H108-H177 AromaticContact CG-CD2 3.41Å; H108-H177 VanDerWaalsContact CG-CD2 3.41Å; H108-H177 AromaticContact CG-CG 3.87Å; H108-H177 AromaticContact CG-NE2 3.64Å; H108-H177 AromaticContact ND1-CD2 3.75Å; H108-H177 AromaticContact ND1-CG 3.85Å; H110-H177 PolarHBondContact O-CD2 3.46Å; H110-H177 PolarHBondContact O-NE2 3.17Å; F112-H177 PolarHBondContact O-CE1 3.06Å; F112-H177 PolarHBondContact O-NE2 3.19Å; H177-N217 WeakPolarHBondContact O-CB 3.35Å; H177-N217 PolarHBondContact O-ND2 2.88Å; H177-H219 PolarHBondContact O-CE1 2.99Å
178	D	93.2	Very high	92.9	Very high	71 Å²	71	40.1 Å²	40.1	38%	0.38	20%	0.198	S	C	.	.			trans	-112.9	-173.6	174.1	68.4	13.8	0	0	0	110.7	T180 A181	D178-T180 PolarHBondContact O-N 3.23Å; D178-T180 WeakPolarHBondContact OD1-CA 3.5Å; D178-T180 VanDerWaalsContact OD1-CB 3.24Å; D178-T180 WeakPolarHBondContact OD1-CB 3.29Å; D178-T180 WeakPolarHBondContact OD1-CG2 3.47Å; D178-T180 PolarHBondContact OD1-N 3.08Å; D178-T180 PolarHBondContact OD1-OG1 3.31Å; D178-A181 WeakPolarHBondContact O-CB 3.33Å; D178-A181 PolarHBondContact O-N 3.45Å
179	T	92.9	Very high	92.8	Very high	38 Å²	38	34.2 Å²	34.2	23%	0.233	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-70	-11	-179	48.9	0	0	0	0	113.7	A181 F182 M200 I207	T179-A181 PolarHBondContact O-N 3.46Å; T179-F182 WeakPolarHBondContact O-CD2 3.34Å; T179-F182 PolarHBondContact O-N 2.93Å; T179-M200 HydrophobicContact CG2-CG 4.22Å; T179-M200 HydrophobicContact CG2-SD 4.3Å; T179-M200 PolarHBondContact OG1-SD 3.34Å; T179-M200 VanDerWaalsContact OG1-SD 3.37Å; T179-I207 HydrophobicContact CG2-CG2 4.26Å
180	T	90.8	Very high	92.5	Very high	104 Å²	104	37.3 Å²	37.3	64%	0.638	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-71.1	-17.6	176.8	72.8	0	0	0	0	112.3	D178 F182	D178-T180 PolarHBondContact O-N 3.23Å; D178-T180 WeakPolarHBondContact OD1-CA 3.5Å; D178-T180 VanDerWaalsContact OD1-CB 3.24Å; D178-T180 WeakPolarHBondContact OD1-CB 3.29Å; D178-T180 WeakPolarHBondContact OD1-CG2 3.47Å; D178-T180 PolarHBondContact OD1-N 3.08Å; D178-T180 PolarHBondContact OD1-OG1 3.31Å; T180-F182 PolarHBondContact O-N 3.16Å
181	A	92.2	Very high	92	Very high	8 Å²	8	40.1 Å²	40.1	7%	0.066	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-62.9	-22	171.9	0	0	0	0	0	112.8	D178 T179 L183 V239 S240	D178-A181 WeakPolarHBondContact O-CB 3.33Å; D178-A181 PolarHBondContact O-N 3.45Å; T179-A181 PolarHBondContact O-N 3.46Å; A181-L183 PolarHBondContact O-N 2.8Å; A181-V239 CarbonylContact O-C 3.49Å; A181-V239 WeakPolarHBondContact O-CA 3.29Å; A181-S240 PolarHBondContact O-N 3.09Å
182	F	93.7	Very high	91.8	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	89.7	176.6	-53.5	-72.3	0	0	0	110.2	I106 T179 T180 N184 C199 H219 F221 V239	I106-F182 HydrophobicContact CB-CE1 4.38Å; I106-F182 HydrophobicContact CD1-CE1 4.03Å; I106-F182 HydrophobicContact CG2-CE1 4.31Å; T179-F182 WeakPolarHBondContact O-CD2 3.34Å; T179-F182 PolarHBondContact O-N 2.93Å; T180-F182 PolarHBondContact O-N 3.16Å; F182-N184 VanDerWaalsContact C-N 3.34Å; F182-N184 PolarHBondContact O-N 3.35Å; F182-C199 HydrophobicContact CB-CB 4.03Å; F182-C199 WeakPolarHBondContact CB-SG 3.41Å; F182-C199 PolarHBondContact O-SG 3.46Å; F182-C199 VanDerWaalsContact O-SG 3.35Å; F182-H219 HydrophobicContact CE2-CB 3.75Å; F182-H219 AromaticContact CE2-CG 3.61Å; F182-H219 AromaticContact CE2-ND1 3.8Å; F182-H219 HydrophobicContact CZ-CB 3.66Å; F182-H219 AromaticContact CZ-CG 3.87Å; F182-H219 AromaticContact CZ-ND1 3.91Å; F182-F221 HydrophobicContact CB-CZ 4.46Å; F182-F221 AromaticContact CD1-CE2 3.9Å; F182-F221 HydrophobicContact CD1-CE2 3.9Å; F182-F221 AromaticContact CD1-CZ 3.79Å; F182-F221 HydrophobicContact CD1-CZ 3.79Å; F182-F221 HydrophobicContact CD2-CE2 4.28Å; F182-F221 AromaticContact CD2-CZ 3.93Å; F182-F221 HydrophobicContact CD2-CZ 3.93Å; F182-F221 AromaticContact CE1-CE2 3.62Å; F182-F221 HydrophobicContact CE1-CE2 3.62Å; F182-F221 HydrophobicContact CE1-CZ 4.01Å; F182-F221 HydrophobicContact CE2-CE2 4.03Å; F182-F221 HydrophobicContact CE2-CZ 4.14Å; F182-F221 HydrophobicContact CG-CE2 4.25Å; F182-F221 AromaticContact CG-CZ 3.78Å; F182-F221 HydrophobicContact CG-CZ 3.78Å; F182-F221 AromaticContact CZ-CE2 3.72Å; F182-F221 HydrophobicContact CZ-CE2 3.72Å; F182-F221 HydrophobicContact CZ-CZ 4.2Å; F182-V239 HydrophobicContact CD1-CG1 4.15Å; F182-V239 HydrophobicContact CD1-CG2 3.94Å; F182-V239 HydrophobicContact CE1-CG1 4.08Å; F182-V239 HydrophobicContact CE1-CG2 4.15Å
183	L	90.5	Very high	91.7	Very high	19 Å²	19	49.2 Å²	49.2	10%	0.099	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	-41.3	-173.6	-60.2	178.7	0	0	0	112.5	A181 D197 I238 L501	A181-L183 PolarHBondContact O-N 2.8Å; L183-D197 VanDerWaalsContact O-O 3.07Å; L183-I238 HydrophobicContact CB-CB 4.5Å; L183-I238 HydrophobicContact CB-CG2 4.31Å; L183-I238 HydrophobicContact CD1-CG2 4.15Å; L183-I238 PolarHBondContact N-O 2.84Å; L183-L501 HydrophobicContact CD1-CD2 3.55Å; L183-L501 HydrophobicContact CD1-CG 4.25Å
184	N	92.5	Very high	91.5	Very high	6 Å²	6	49.6 Å²	49.6	3%	0.032	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	145.9	179.5	-75	91.7	0	0	0	110.5	F182 E196 C199 L237 I238 L451 R455	F182-N184 VanDerWaalsContact C-N 3.34Å; F182-N184 PolarHBondContact O-N 3.35Å; N184-E196 WeakPolarHBondContact CA-O 3.08Å; N184-E196 PolarHBondContact ND2-O 3.2Å; N184-C199 VanDerWaalsContact C-SG 3.58Å; N184-L237 WeakPolarHBondContact O-CA 3.29Å; N184-I238 HydrophobicContact CB-CB 4.3Å; N184-I238 HydrophobicContact CB-CD1 4.07Å; N184-I238 HydrophobicContact CB-CG1 4.39Å; N184-I238 PolarHBondContact O-N 2.94Å; N184-L451 HydrophobicContact CB-CD1 4.45Å; N184-L451 WeakPolarHBondContact OD1-CD1 3.28Å; N184-R455 WeakPolarHBondContact ND2-CG 3.43Å
185	C	95.5	Very high	91.4	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.02	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	150.5	165.9	66	0	0	0	0	111.8	I195 E196 C199 M202 A236 L237	C185-I195 WeakPolarHBondContact O-CA 3.36Å; C185-E196 PolarHBondContact N-O 3.43Å; C185-E196 PolarHBondContact O-N 3.11Å; C185-E196 VanDerWaalsContact SG-CB 3.57Å; C185-C199 HydrophobicContact CB-CB 4.06Å; C185-C199 WeakPolarHBondContact CB-SG 3.26Å; C185-C199 PolarHBondContact N-SG 3.02Å; C185-C199 VanDerWaalsContact SG-CA 3.54Å; C185-M202 HydrophobicContact CB-SD 4.08Å; C185-A236 CarbonylContact C-O 3.57Å; C185-A236 VanDerWaalsContact CA-O 3.25Å; C185-A236 WeakPolarHBondContact CA-O 3.36Å; C185-L237 HydrophobicContact CB-CD2 3.35Å
186	M	94.6	Very high	91.4	Very high	40 Å²	40	47.4 Å²	47.4	20%	0.197	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	134.1	171.7	173.4	-87.9	-74.4	0	0	109.2	R188 Q194 I195 I235 A236	M186-R188 HydrophobicContact SD-CB 4.39Å; M186-Q194 CarbonylContact C-O 3.6Å; M186-Q194 VanDerWaalsContact CA-O 3.23Å; M186-Q194 WeakPolarHBondContact CA-O 3.26Å; M186-I195 HydrophobicContact CB-CG1 4.18Å; M186-I195 HydrophobicContact CG-CG1 3.96Å; M186-I235 CarbonylContact O-C 3.42Å; M186-I235 WeakPolarHBondContact O-CA 3.15Å; M186-A236 HydrophobicContact CB-CB 4.3Å; M186-A236 HydrophobicContact CE-CB 3.67Å; M186-A236 PolarHBondContact N-O 3.27Å; M186-A236 PolarHBondContact O-N 3.46Å; M186-A236 HydrophobicContact SD-CB 4.42Å
187	R	94.6	Very high	91.2	Very high	22 Å²	22	48.4 Å²	48.4	8%	0.083	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132	172.5	-177	-179.5	70.2	154.1	-3	108.9	V189 M193 Q194 M202 D203 F205 T232 T234 I235	R187-V189 HydrophobicContact CG-CG2 3.99Å; R187-V189 VanDerWaalsContact CZ-CG2 3.5Å; R187-M193 WeakPolarHBondContact O-CA 3.19Å; R187-Q194 PolarHBondContact N-O 3.41Å; R187-Q194 PolarHBondContact O-N 2.89Å; R187-M202 HydrophobicContact CB-CG 4.42Å; R187-M202 HydrophobicContact CB-SD 3.88Å; R187-D203 PolarHBondContact NE-O 2.98Å; R187-D203 PolarHBondContact NH1-O 3.47Å; R187-D203 PolarHBondContact NH2-O 2.85Å; R187-D203 VanDerWaalsContact NH2-O 3.15Å; R187-F205 VanDerWaalsContact CD-CE2 3.43Å; R187-F205 HydrophobicContact CG-CE2 4.38Å; R187-T232 HydrophobicContact CG-CG2 3.89Å; R187-T234 WeakPolarHBondContact CA-O 3.37Å; R187-I235 HydrophobicContact CG-CG1 4.49Å
188	R	93.5	Very high	91	Very high	91 Å²	91	50.6 Å²	50.6	34%	0.343	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120.4	170.5	-166.7	176.9	-177	108.4	-1.1	109.9	M186 N190 T192 M193 N233 T234	M186-R188 HydrophobicContact SD-CB 4.39Å; R188-N190 PolarHBondContact NE-O 2.99Å; R188-T192 WeakPolarHBondContact CA-O 3.45Å; R188-T192 WeakPolarHBondContact CG-O 3.23Å; R188-M193 HydrophobicContact CG-CG 4.18Å; R188-M193 PolarHBondContact NH1-SD 3.03Å; R188-M193 VanDerWaalsContact NH1-SD 3.41Å; R188-N233 PolarHBondContact O-N 2.92Å; R188-T234 PolarHBondContact N-O 3.08Å; R188-T234 PolarHBondContact O-N 2.8Å
189	V	89.4	Confident	91.1	Very high	27 Å²	27	47.4 Å²	47.4	16%	0.164	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	109.9	175.9	-176.3	0	0	0	0	106.8	R187 H191 T192 D231	R187-V189 HydrophobicContact CG-CG2 3.99Å; R187-V189 VanDerWaalsContact CZ-CG2 3.5Å; V189-H191 PolarHBondContact O-N 3.33Å; V189-T192 PolarHBondContact N-O 3.46Å; V189-T192 PolarHBondContact O-N 3.31Å; V189-T192 PolarHBondContact O-OG1 3.23Å; V189-T192 VanDerWaalsContact O-OG1 3.06Å; V189-D231 HydrophobicContact CG1-CB 3.87Å; V189-D231 WeakPolarHBondContact CG1-O 3.31Å
190	N	83.1	Confident	91	Very high	86 Å²	86	50.8 Å²	50.8	46%	0.46	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	-108.5	-171.6	-60.6	-40.6	0	0	0	112.4	R188 D231 N233	R188-N190 PolarHBondContact NE-O 2.99Å; N190-D231 PolarHBondContact N-O 3.17Å; N190-N233 PolarHBondContact N-OD1 2.9Å; N190-N233 VanDerWaalsContact N-OD1 3.16Å
191	H	82.4	Confident	91	Very high	169 Å²	169	51.4 Å²	51.4	78%	0.782	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-5.2	-179.3	-58.8	-67.1	0	0	0	114	V189	V189-H191 PolarHBondContact O-N 3.33Å
192	T	88.9	Confident	91	Very high	97 Å²	97	51.1 Å²	51.1	60%	0.595	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	149.2	179.7	62.6	0	0	0	0	110.8	R188 V189	R188-T192 WeakPolarHBondContact CA-O 3.45Å; R188-T192 WeakPolarHBondContact CG-O 3.23Å; V189-T192 PolarHBondContact N-O 3.46Å; V189-T192 PolarHBondContact O-N 3.31Å; V189-T192 PolarHBondContact O-OG1 3.23Å; V189-T192 VanDerWaalsContact O-OG1 3.06Å
193	M	90	Very high	90.8	Very high	115 Å²	115	55.3 Å²	55.3	57%	0.567	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.5	175.6	-63.1	-173.4	-61.1	0	0	108.4	R187 R188	R187-M193 WeakPolarHBondContact O-CA 3.19Å; R188-M193 HydrophobicContact CG-CG 4.18Å; R188-M193 PolarHBondContact NH1-SD 3.03Å; R188-M193 VanDerWaalsContact NH1-SD 3.41Å
194	Q	90.1	Very high	90.8	Very high	36 Å²	36	54.6 Å²	54.6	17%	0.168	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.7	170.9	177.4	172.5	7.2	0	0	107.9	M186 R187 E196 D203	M186-Q194 CarbonylContact C-O 3.6Å; M186-Q194 VanDerWaalsContact CA-O 3.23Å; M186-Q194 WeakPolarHBondContact CA-O 3.26Å; R187-Q194 PolarHBondContact N-O 3.41Å; R187-Q194 PolarHBondContact O-N 2.89Å; Q194-E196 PolarHBondContact NE2-OE1 3.19Å; Q194-D203 PolarHBondContact NE2-OD2 2.79Å
195	I	91.8	Very high	90.8	Very high	45 Å²	45	54.6 Å²	54.6	23%	0.231	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	140	179.2	-59.2	175.6	0	0	0	107.8	C185 M186 L454 N458	C185-I195 WeakPolarHBondContact O-CA 3.36Å; M186-I195 HydrophobicContact CB-CG1 4.18Å; M186-I195 HydrophobicContact CG-CG1 3.96Å; I195-L454 HydrophobicContact CD1-CD1 3.95Å; I195-L454 HydrophobicContact CG2-CD2 4.17Å; I195-L454 HydrophobicContact CG2-CG 4.35Å; I195-N458 VanDerWaalsContact C-ND2 3.35Å; I195-N458 PolarHBondContact O-ND2 3.16Å; I195-N458 PolarHBondContact O-OD1 3.05Å
196	E	92.6	Very high	90.6	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.009	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	144.3	175.8	-56.4	-64.4	160.1	0	0	110	N184 C185 Q194 M202 K462	N184-E196 WeakPolarHBondContact CA-O 3.08Å; N184-E196 PolarHBondContact ND2-O 3.2Å; C185-E196 PolarHBondContact N-O 3.43Å; C185-E196 PolarHBondContact O-N 3.11Å; C185-E196 VanDerWaalsContact SG-CB 3.57Å; Q194-E196 PolarHBondContact NE2-OE1 3.19Å; E196-M202 HydrophobicContact CG-CB 4.2Å; E196-K462 VanDerWaalsContact CD-CE 3.45Å; E196-K462 WeakPolarHBondContact OE1-CE 3.29Å; E196-K462 IonicContact OE1-NZ 3.05Å; E196-K462 PolarHBondContact OE1-NZ 3.29Å; E196-K462 WeakPolarHBondContact OE2-CE 3.04Å; E196-K462 IonicContact OE2-NZ 3.37Å; E196-K462 PolarHBondContact OE2-NZ 3.37Å
197	D	88.4	Confident	90.6	Very high	25 Å²	25	56.8 Å²	56.8	13%	0.134	28%	0.283	C	S	.	.	S	Bend	trans	-95.9	-10.7	168.7	70.1	-46.7	0	0	0	112.5	L183 R455 R459	L183-D197 VanDerWaalsContact O-O 3.07Å; D197-R455 HydrophobicContact CB-CB 4.3Å; D197-R455 HydrophobicContact CB-CG 3.94Å; D197-R455 IonicContact OD2-NH2 2.73Å; D197-R459 IonicContact OD2-CZ 3.87Å; D197-R459 IonicContact OD2-NE 3.1Å; D197-R459 PolarHBondContact OD2-NE 2.95Å; D197-R459 IonicContact OD2-NH2 3.96Å; D197-R459 PolarHBondContact OD2-NH2 3.49Å
198	N	91	Very high	90.4	Very high	55 Å²	55	57 Å²	57	29%	0.294	28%	0.283	S	S	.	.	S	Bend	trans	-126.3	108.5	165.2	178.5	-2.3	0	0	0	108.8	M200 H201	N198-M200 PolarHBondContact O-N 3.4Å; N198-M200 WeakPolarHBondContact OD1-CB 3.36Å; N198-M200 WeakPolarHBondContact OD1-CG 3.26Å; N198-M200 PolarHBondContact OD1-N 3.47Å; N198-M200 VanDerWaalsContact OD1-N 3.08Å; N198-H201 PolarHBondContact ND2-CD2 3.11Å; N198-H201 PolarHBondContact ND2-NE2 3.15Å; N198-H201 PolarHBondContact O-N 2.82Å
199	C	93.9	Very high	90.4	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.02	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-65.1	-16.1	-172.9	-52.4	0	0	0	0	113.8	F182 N184 C185 H201 M202 I207 F221	F182-C199 HydrophobicContact CB-CB 4.03Å; F182-C199 WeakPolarHBondContact CB-SG 3.41Å; F182-C199 PolarHBondContact O-SG 3.46Å; F182-C199 VanDerWaalsContact O-SG 3.35Å; N184-C199 VanDerWaalsContact C-SG 3.58Å; C185-C199 HydrophobicContact CB-CB 4.06Å; C185-C199 WeakPolarHBondContact CB-SG 3.26Å; C185-C199 PolarHBondContact N-SG 3.02Å; C185-C199 VanDerWaalsContact SG-CA 3.54Å; C199-H201 PolarHBondContact O-N 3.23Å; C199-M202 WeakPolarHBondContact O-CB 3.46Å; C199-M202 PolarHBondContact O-N 3.44Å; C199-I207 HydrophobicContact CB-CD1 3.94Å; C199-F221 HydrophobicContact CB-CE1 3.95Å; C199-F221 HydrophobicContact CB-CZ 4.24Å
200	M	92.3	Very high	90.6	Very high	110 Å²	110	55.7 Å²	55.7	54%	0.542	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-66.7	-21.1	172.5	-62.2	-176	67.1	0	0	113.2	T179 N198 I207	T179-M200 HydrophobicContact CG2-CG 4.22Å; T179-M200 HydrophobicContact CG2-SD 4.3Å; T179-M200 PolarHBondContact OG1-SD 3.34Å; T179-M200 VanDerWaalsContact OG1-SD 3.37Å; N198-M200 PolarHBondContact O-N 3.4Å; N198-M200 WeakPolarHBondContact OD1-CB 3.36Å; N198-M200 WeakPolarHBondContact OD1-CG 3.26Å; N198-M200 PolarHBondContact OD1-N 3.47Å; N198-M200 VanDerWaalsContact OD1-N 3.08Å; M200-I207 HydrophobicContact CG-CD1 4.37Å
201	H	90.9	Very high	91.1	Very high	116 Å²	116	51.6 Å²	51.6	54%	0.537	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-95	6.9	179.3	-60.6	-44.5	0	0	0	113.4	N198 C199 D203	N198-H201 PolarHBondContact ND2-CD2 3.11Å; N198-H201 PolarHBondContact ND2-NE2 3.15Å; N198-H201 PolarHBondContact O-N 2.82Å; C199-H201 PolarHBondContact O-N 3.23Å; H201-D203 PolarHBondContact O-N 3.36Å
202	M	91.4	Very high	91.7	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	22%	0.222	C	C	.	.			trans	-66	115.8	177.5	-173.1	164	61.5	0	0	110.5	C185 R187 E196 C199 G204 F205 F221	C185-M202 HydrophobicContact CB-SD 4.08Å; R187-M202 HydrophobicContact CB-CG 4.42Å; R187-M202 HydrophobicContact CB-SD 3.88Å; E196-M202 HydrophobicContact CG-CB 4.2Å; C199-M202 WeakPolarHBondContact O-CB 3.46Å; C199-M202 PolarHBondContact O-N 3.44Å; M202-G204 PolarHBondContact O-N 3.44Å; M202-F205 HydrophobicContact CB-CB 4.46Å; M202-F205 HydrophobicContact CE-CB 3.45Å; M202-F205 VanDerWaalsContact CE-CB 3.45Å; M202-F205 HydrophobicContact CE-CD1 4.1Å; M202-F205 HydrophobicContact CE-CD2 4.3Å; M202-F205 HydrophobicContact CE-CG 3.68Å; M202-F205 HydrophobicContact CG-CB 4.21Å; M202-F205 PolarHBondContact O-N 3.3Å; M202-F221 HydrophobicContact CE-CD1 3.81Å; M202-F221 HydrophobicContact CE-CE1 4.25Å
203	D	89.9	Confident	91.9	Very high	93 Å²	93	39.8 Å²	39.8	50%	0.497	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	141.8	-178.1	-66.5	-49	0	0	0	110.8	R187 Q194 H201 F205	R187-D203 PolarHBondContact NE-O 2.98Å; R187-D203 PolarHBondContact NH1-O 3.47Å; R187-D203 PolarHBondContact NH2-O 2.85Å; R187-D203 VanDerWaalsContact NH2-O 3.15Å; Q194-D203 PolarHBondContact NE2-OD2 2.79Å; H201-D203 PolarHBondContact O-N 3.36Å; D203-F205 PolarHBondContact O-N 3.13Å; D203-F205 VanDerWaalsContact O-N 3.13Å
204	G	89.5	Confident	92	Very high	4 Å²	4	35.4 Å²	35.4	4%	0.041	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	7	-179.1	0	0	0	0	0	117.4	M202 P223 K224 E228	M202-G204 PolarHBondContact O-N 3.44Å; G204-P223 CarbonylContact O-C 3.57Å; G204-P223 VanDerWaalsContact O-CA 3.32Å; G204-P223 WeakPolarHBondContact O-CA 3.32Å; G204-K224 PolarHBondContact O-N 3.36Å; G204-E228 WeakPolarHBondContact CA-OE1 3.45Å; G204-E228 VanDerWaalsContact CA-OE2 3.25Å; G204-E228 WeakPolarHBondContact CA-OE2 3.43Å
205	F	92.4	Very high	92.2	Very high	5 Å²	5	35.1 Å²	35.1	2%	0.022	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	147.1	171.5	-86.4	-99.6	0	0	0	111.4	F101 R187 M202 D203 E222 P223 K224 T232 I235	F101-F205 HydrophobicContact CD1-CE1 4.33Å; F101-F205 HydrophobicContact CD1-CZ 4.02Å; F101-F205 HydrophobicContact CE1-CZ 4.47Å; R187-F205 VanDerWaalsContact CD-CE2 3.43Å; R187-F205 HydrophobicContact CG-CE2 4.38Å; M202-F205 HydrophobicContact CB-CB 4.46Å; M202-F205 HydrophobicContact CE-CB 3.45Å; M202-F205 VanDerWaalsContact CE-CB 3.45Å; M202-F205 HydrophobicContact CE-CD1 4.1Å; M202-F205 HydrophobicContact CE-CD2 4.3Å; M202-F205 HydrophobicContact CE-CG 3.68Å; M202-F205 HydrophobicContact CG-CB 4.21Å; M202-F205 PolarHBondContact O-N 3.3Å; D203-F205 PolarHBondContact O-N 3.13Å; D203-F205 VanDerWaalsContact O-N 3.13Å; F205-E222 WeakPolarHBondContact CA-O 3.28Å; F205-E222 VanDerWaalsContact CD1-O 3.28Å; F205-E222 WeakPolarHBondContact CD1-O 3.21Å; F205-P223 HydrophobicContact CE1-CB 4.19Å; F205-P223 HydrophobicContact CE1-CG 4.47Å; F205-P223 HydrophobicContact CE2-CB 4.32Å; F205-P223 HydrophobicContact CZ-CB 3.94Å; F205-P223 HydrophobicContact CZ-CG 4.44Å; F205-K224 VanDerWaalsContact C-CE 3.44Å; F205-K224 WeakPolarHBondContact O-CE 3.43Å; F205-T232 HydrophobicContact CE2-CG2 4.08Å; F205-T232 HydrophobicContact CZ-CG2 4.06Å; F205-I235 HydrophobicContact CD1-CD1 3.73Å; F205-I235 HydrophobicContact CE1-CD1 3.11Å; F205-I235 HydrophobicContact CE1-CG1 4.42Å; F205-I235 HydrophobicContact CE2-CD1 4.01Å; F205-I235 HydrophobicContact CG-CD1 4.4Å; F205-I235 HydrophobicContact CZ-CD1 3.29Å; F205-I235 HydrophobicContact CZ-CG1 4.25Å
206	Q	92.1	Very high	92.3	Very high	49 Å²	49	33 Å²	33	23%	0.229	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	154.1	170.4	71.4	-163.2	0.9	0	0	109.6	E222 K224	Q206-E222 HydrophobicContact CG-CG 3.6Å; Q206-E222 PolarHBondContact N-O 2.96Å; Q206-E222 VanDerWaalsContact NE2-CD 3.28Å; Q206-E222 VanDerWaalsContact NE2-CG 3.34Å; Q206-E222 PolarHBondContact NE2-OE1 3.41Å; Q206-E222 PolarHBondContact O-N 3.46Å; Q206-K224 HydrophobicContact CB-CG 4.14Å
207	I	93.8	Very high	92.5	Very high	40 Å²	40	32.9 Å²	32.9	21%	0.205	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	111.1	177.3	-55.6	175.3	0	0	0	107.3	T179 C199 M200 H219 T220 F221	T179-I207 HydrophobicContact CG2-CG2 4.26Å; C199-I207 HydrophobicContact CB-CD1 3.94Å; M200-I207 HydrophobicContact CG-CD1 4.37Å; I207-H219 HydrophobicContact CG2-CB 3.87Å; I207-T220 CarbonylContact C-O 3.51Å; I207-T220 WeakPolarHBondContact CA-O 3.09Å; I207-F221 HydrophobicContact CD1-CD1 4.18Å; I207-F221 HydrophobicContact CD1-CE1 3.45Å; I207-F221 VanDerWaalsContact CD1-CE1 3.45Å; I207-F221 HydrophobicContact CD1-CZ 3.65Å; I207-F221 HydrophobicContact CG1-CD1 3.84Å; I207-F221 HydrophobicContact CG1-CE1 3.64Å; I207-F221 HydrophobicContact CG1-CG 4.42Å; I207-F221 HydrophobicContact CG1-CZ 4.03Å
208	R	91.9	Very high	92.9	Very high	27 Å²	27	31.7 Å²	31.7	10%	0.102	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	124	174.7	-175.6	169.5	67.5	-134.4	-12	109.3	H219 T220 E222 V346	R208-H219 CarbonylContact O-C 3.5Å; R208-H219 WeakPolarHBondContact O-CA 3.48Å; R208-T220 PolarHBondContact N-O 3.09Å; R208-T220 PolarHBondContact O-N 3.35Å; R208-E222 IonicContact CZ-OE1 3.61Å; R208-E222 IonicContact CZ-OE2 3.66Å; R208-E222 VanDerWaalsContact CZ-OE2 3.24Å; R208-E222 IonicContact NE-OE1 3.76Å; R208-E222 IonicContact NH1-OE1 2.69Å; R208-E222 PolarHBondContact NH1-OE1 3.46Å; R208-E222 IonicContact NH1-OE2 2.66Å; R208-E222 PolarHBondContact NH1-OE2 2.04Å; R208-E222 IonicContact NH2-OE1 3.08Å; R208-E222 IonicContact NH2-OE2 3.02Å; R208-E222 PolarHBondContact NH2-OE2 3.1Å; R208-V346 HydrophobicContact CG-CG1 4.05Å
209	K	93.2	Very high	93.1	Very high	89 Å²	89	29.1 Å²	29.1	39%	0.387	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	132.5	176.2	-175.9	174.8	67.1	176.4	0	110.4	Y173 N217 C218	Y173-K209 HydrophobicContact CD1-CD 4.48Å; K209-N217 HydrophobicContact CD-CB 4.28Å; K209-N217 HydrophobicContact CG-CB 4.43Å; K209-C218 WeakPolarHBondContact CA-O 3.07Å
210	F	93.3	Very high	93.3	Very high	1 Å²	1	29 Å²	29	0%	0.004	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	161.6	170.5	72.3	-86.5	0	0	0	110.7	T105 H212 C218 P276 L278 V346 Y348	T105-F210 HydrophobicContact CG2-CE1 3.66Å; T105-F210 HydrophobicContact CG2-CZ 3.85Å; F210-H212 HydrophobicContact CE2-CB 4.19Å; F210-C218 HydrophobicContact CD1-CB 3.95Å; F210-C218 HydrophobicContact CD2-CB 4.28Å; F210-C218 HydrophobicContact CE1-CB 3.38Å; F210-C218 HydrophobicContact CE2-CB 3.76Å; F210-C218 HydrophobicContact CG-CB 4.37Å; F210-C218 HydrophobicContact CZ-CB 3.27Å; F210-C218 PolarHBondContact N-O 3.05Å; F210-C218 PolarHBondContact O-N 3.29Å; F210-P276 HydrophobicContact CE1-CG 3.55Å; F210-P276 HydrophobicContact CE2-CG 4.27Å; F210-P276 HydrophobicContact CZ-CG 3.38Å; F210-L278 HydrophobicContact CZ-CD1 4.36Å; F210-V346 HydrophobicContact CB-CG2 4.02Å; F210-Y348 VanDerWaalsContact CB-OH 3.29Å; F210-Y348 WeakPolarHBondContact CB-OH 3.43Å; F210-Y348 WeakPolarHBondContact CG-OH 3.43Å
211	S	94.1	Very high	93.5	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.007	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.5	-178.4	-165.8	0	0	0	0	110.7	Y164 F216 R377	Y164-S211 VanDerWaalsContact CE2-OG 3.3Å; Y164-S211 WeakPolarHBondContact CE2-OG 3.02Å; Y164-S211 VanDerWaalsContact OH-CB 3.3Å; Y164-S211 WeakPolarHBondContact OH-CB 3.26Å; Y164-S211 PolarHBondContact OH-OG 3.49Å; S211-F216 CarbonylContact C-O 3.58Å; S211-F216 VanDerWaalsContact CA-O 3.22Å; S211-F216 WeakPolarHBondContact CA-O 3.18Å; S211-R377 PolarHBondContact O-NH2 3.43Å
212	H	94.6	Very high	93.6	Very high	13 Å²	13	18.3 Å²	18.3	6%	0.06	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	144.6	176.9	-167	-92	0	0	0	109.7	F210 T214 Y215 F216 L278	F210-H212 HydrophobicContact CE2-CB 4.19Å; H212-T214 PolarHBondContact ND1-N 3.45Å; H212-T214 PolarHBondContact O-N 3.29Å; H212-Y215 AromaticContact CE1-CD2 3.95Å; H212-Y215 AromaticContact CG-CD2 4Å; H212-Y215 AromaticContact ND1-CD2 3.43Å; H212-Y215 WeakPolarHBondContact ND1-CD2 3.49Å; H212-F216 PolarHBondContact N-O 3.09Å; H212-F216 WeakPolarHBondContact O-CA 3.31Å; H212-F216 PolarHBondContact O-N 2.92Å; H212-L278 HydrophobicContact CB-CD1 4.43Å
213	H	93.4	Very high	93.6	Very high	5 Å²	5	18.2 Å²	18.2	2%	0.023	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-34.1	-174.9	62.8	84.8	0	0	0	113.5	S161 Y164 I373 Y374	S161-H213 PolarHBondContact OG-ND1 3.33Å; Y164-H213 HydrophobicContact CD1-CB 3.97Å; Y164-H213 HydrophobicContact CE1-CB 4.42Å; Y164-H213 HydrophobicContact CG-CB 4.16Å; H213-I373 HydrophobicContact CB-CD1 3.96Å; H213-I373 HydrophobicContact CB-CG1 3.41Å; H213-I373 VanDerWaalsContact CB-CG1 3.41Å; H213-Y374 AromaticContact CE1-CD1 3.87Å; H213-Y374 AromaticContact CE1-CE1 3.35Å; H213-Y374 WeakPolarHBondContact CE1-CE1 3.46Å; H213-Y374 AromaticContact CE1-CZ 3.77Å; H213-Y374 AromaticContact NE2-CD1 3.48Å; H213-Y374 WeakPolarHBondContact NE2-CD1 3.31Å; H213-Y374 AromaticContact NE2-CE1 3.48Å; H213-Y374 WeakPolarHBondContact NE2-CE1 3.41Å
214	T	91.9	Very high	93.6	Very high	23 Å²	23	17.7 Å²	17.7	14%	0.141	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-37.8	176.7	-49.3	0	0	0	0	113.2	L160 H212	L160-T214 WeakPolarHBondContact CD2-O 3.46Å; H212-T214 PolarHBondContact ND1-N 3.45Å; H212-T214 PolarHBondContact O-N 3.29Å
215	Y	93.6	Very high	93.4	Very high	29 Å²	29	20.2 Å²	20.2	11%	0.114	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-1.9	-169.6	-55.2	-63.1	0	0	0	114	C107 H108 H109 H212 N217 R266 L278	C107-Y215 HydrophobicContact CB-CD1 4.33Å; C107-Y215 HydrophobicContact CB-CD2 3.96Å; C107-Y215 HydrophobicContact CB-CG 3.75Å; H108-Y215 VanDerWaalsContact O-CD1 3.27Å; H108-Y215 WeakPolarHBondContact O-CD1 3.5Å; H109-Y215 AromaticContact ND1-CE1 3.6Å; H212-Y215 AromaticContact CE1-CD2 3.95Å; H212-Y215 AromaticContact CG-CD2 4Å; H212-Y215 AromaticContact ND1-CD2 3.43Å; H212-Y215 WeakPolarHBondContact ND1-CD2 3.49Å; Y215-N217 PolarHBondContact O-N 2.97Å; Y215-N217 VanDerWaalsContact O-N 3.13Å; Y215-R266 HydrophobicContact CE1-CB 4.23Å; Y215-R266 HydrophobicContact CE2-CB 4.38Å; Y215-R266 HydrophobicContact CE2-CG 4.14Å; Y215-R266 WeakPolarHBondContact OH-CD 3.36Å; Y215-L278 HydrophobicContact CD2-CD1 3.59Å; Y215-L278 HydrophobicContact CE2-CB 4.27Å; Y215-L278 HydrophobicContact CE2-CD1 3.85Å
216	F	94.4	Very high	93	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.2	-112.4	-174.3	-75.3	-126.7	0	0	0	110.6	P111 F112 L160 Y163 Y164 L167 A172 L175 S211 H212 C218	P111-F216 HydrophobicContact CB-CB 4.02Å; P111-F216 HydrophobicContact CB-CD2 3.46Å; P111-F216 VanDerWaalsContact CB-CD2 3.46Å; P111-F216 HydrophobicContact CB-CE2 4.17Å; P111-F216 HydrophobicContact CB-CG 3.86Å; P111-F216 HydrophobicContact CG-CD2 4.3Å; F112-F216 HydrophobicContact CE1-CD1 4.46Å; F112-F216 AromaticContact CE1-CE1 3.94Å; F112-F216 HydrophobicContact CE1-CE1 3.94Å; F112-F216 HydrophobicContact CE1-CE2 4.21Å; F112-F216 AromaticContact CE1-CZ 3.8Å; F112-F216 HydrophobicContact CE1-CZ 3.8Å; L160-F216 HydrophobicContact CD1-CE2 3.84Å; L160-F216 HydrophobicContact CD1-CZ 4.37Å; L160-F216 HydrophobicContact CD2-CE2 4.46Å; L160-F216 HydrophobicContact CG-CE2 4.08Å; Y163-F216 HydrophobicContact CD1-CZ 4.01Å; Y163-F216 AromaticContact CE1-CZ 3.89Å; Y163-F216 HydrophobicContact CE1-CZ 3.89Å; Y164-F216 HydrophobicContact CD2-CD1 4.4Å; Y164-F216 HydrophobicContact CD2-CD2 4.07Å; Y164-F216 HydrophobicContact CD2-CE1 4.18Å; Y164-F216 AromaticContact CD2-CE2 3.83Å; Y164-F216 HydrophobicContact CD2-CE2 3.83Å; Y164-F216 HydrophobicContact CD2-CG 4.33Å; Y164-F216 AromaticContact CD2-CZ 3.88Å; Y164-F216 HydrophobicContact CD2-CZ 3.88Å; L167-F216 HydrophobicContact CD1-CE1 3.82Å; L167-F216 HydrophobicContact CD1-CZ 3.97Å; A172-F216 HydrophobicContact CB-CE1 4.41Å; A172-F216 VanDerWaalsContact O-CD1 3.3Å; A172-F216 WeakPolarHBondContact O-CD1 3.45Å; L175-F216 HydrophobicContact CB-CD1 3.96Å; L175-F216 HydrophobicContact CB-CE1 3.93Å; L175-F216 HydrophobicContact CD1-CE1 3.9Å; S211-F216 CarbonylContact C-O 3.58Å; S211-F216 VanDerWaalsContact CA-O 3.22Å; S211-F216 WeakPolarHBondContact CA-O 3.18Å; H212-F216 PolarHBondContact N-O 3.09Å; H212-F216 WeakPolarHBondContact O-CA 3.31Å; H212-F216 PolarHBondContact O-N 2.92Å; F216-C218 PolarHBondContact O-N 3.44Å
217	N	95.6	Very high	92.8	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	117.1	-175.8	-67.5	-18.4	0	0	0	111.2	Y173 G176 H177 K209 Y215	Y173-N217 VanDerWaalsContact CD1-OD1 3.28Å; Y173-N217 WeakPolarHBondContact CD1-OD1 3.39Å; Y173-N217 PolarHBondContact O-ND2 3.4Å; G176-N217 WeakPolarHBondContact CA-ND2 3.15Å; H177-N217 WeakPolarHBondContact O-CB 3.35Å; H177-N217 PolarHBondContact O-ND2 2.88Å; K209-N217 HydrophobicContact CD-CB 4.28Å; K209-N217 HydrophobicContact CG-CB 4.43Å; Y215-N217 PolarHBondContact O-N 2.97Å; Y215-N217 VanDerWaalsContact O-N 3.13Å
218	C	97.1	Very high	92.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	149.9	169.4	-66.4	0	0	0	0	110.5	T105 I106 C107 K209 F210 F216	T105-C218 HydrophobicContact CG2-CB 4.38Å; I106-C218 WeakPolarHBondContact O-CA 3.42Å; C107-C218 HydrophobicContact CB-CB 4.2Å; C107-C218 WeakPolarHBondContact CB-SG 3.3Å; C107-C218 WeakPolarHBondContact SG-CB 3.48Å; C107-C218 CovalentContact SG-SG 2.03Å; C107-C218 PolarHBondContact SG-SG 3.23Å; K209-C218 WeakPolarHBondContact CA-O 3.07Å; F210-C218 HydrophobicContact CD1-CB 3.95Å; F210-C218 HydrophobicContact CD2-CB 4.28Å; F210-C218 HydrophobicContact CE1-CB 3.38Å; F210-C218 HydrophobicContact CE2-CB 3.76Å; F210-C218 HydrophobicContact CG-CB 4.37Å; F210-C218 HydrophobicContact CZ-CB 3.27Å; F210-C218 PolarHBondContact N-O 3.05Å; F210-C218 PolarHBondContact O-N 3.29Å; F216-C218 PolarHBondContact O-N 3.44Å
219	H	96.8	Very high	92.4	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	125.2	-176.8	-60	87.8	0	0	0	110.6	T105 I106 H177 F182 I207 R208	T105-H219 CarbonylContact C-O 3.54Å; T105-H219 WeakPolarHBondContact CA-O 3.49Å; I106-H219 PolarHBondContact N-O 3.45Å; I106-H219 PolarHBondContact O-N 3.04Å; H177-H219 PolarHBondContact O-CE1 2.99Å; F182-H219 HydrophobicContact CE2-CB 3.75Å; F182-H219 AromaticContact CE2-CG 3.61Å; F182-H219 AromaticContact CE2-ND1 3.8Å; F182-H219 HydrophobicContact CZ-CB 3.66Å; F182-H219 AromaticContact CZ-CG 3.87Å; F182-H219 AromaticContact CZ-ND1 3.91Å; I207-H219 HydrophobicContact CG2-CB 3.87Å; R208-H219 CarbonylContact O-C 3.5Å; R208-H219 WeakPolarHBondContact O-CA 3.48Å
220	T	96.5	Very high	92.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	115.9	177.1	-52.5	0	0	0	0	110	A103 L104 T105 I207 R208 E222	A103-T220 HydrophobicContact CB-CG2 3.78Å; L104-T220 CarbonylContact O-C 3.5Å; L104-T220 WeakPolarHBondContact O-CA 3.48Å; T105-T220 WeakPolarHBondContact OG1-CB 3.26Å; T105-T220 WeakPolarHBondContact OG1-CG2 3.35Å; T105-T220 PolarHBondContact OG1-OG1 2.88Å; I207-T220 CarbonylContact C-O 3.51Å; I207-T220 WeakPolarHBondContact CA-O 3.09Å; R208-T220 PolarHBondContact N-O 3.09Å; R208-T220 PolarHBondContact O-N 3.35Å; T220-E222 HydrophobicContact CG2-CB 4.5Å
221	F	96.4	Very high	91.9	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	118.1	168.9	-71.7	-101.6	0	0	0	108.9	A103 L104 I106 F182 C199 M202 I207 L237	A103-F221 CarbonylContact C-O 3.47Å; A103-F221 VanDerWaalsContact CA-O 3.27Å; A103-F221 WeakPolarHBondContact CA-O 3.1Å; L104-F221 HydrophobicContact CB-CB 4.47Å; L104-F221 PolarHBondContact N-O 3.33Å; L104-F221 PolarHBondContact O-N 2.91Å; I106-F221 HydrophobicContact CD1-CD2 4.46Å; I106-F221 HydrophobicContact CD1-CE2 4.37Å; F182-F221 HydrophobicContact CB-CZ 4.46Å; F182-F221 AromaticContact CD1-CE2 3.9Å; F182-F221 HydrophobicContact CD1-CE2 3.9Å; F182-F221 AromaticContact CD1-CZ 3.79Å; F182-F221 HydrophobicContact CD1-CZ 3.79Å; F182-F221 HydrophobicContact CD2-CE2 4.28Å; F182-F221 AromaticContact CD2-CZ 3.93Å; F182-F221 HydrophobicContact CD2-CZ 3.93Å; F182-F221 AromaticContact CE1-CE2 3.62Å; F182-F221 HydrophobicContact CE1-CE2 3.62Å; F182-F221 HydrophobicContact CE1-CZ 4.01Å; F182-F221 HydrophobicContact CE2-CE2 4.03Å; F182-F221 HydrophobicContact CE2-CZ 4.14Å; F182-F221 HydrophobicContact CG-CE2 4.25Å; F182-F221 AromaticContact CG-CZ 3.78Å; F182-F221 HydrophobicContact CG-CZ 3.78Å; F182-F221 AromaticContact CZ-CE2 3.72Å; F182-F221 HydrophobicContact CZ-CE2 3.72Å; F182-F221 HydrophobicContact CZ-CZ 4.2Å; C199-F221 HydrophobicContact CB-CE1 3.95Å; C199-F221 HydrophobicContact CB-CZ 4.24Å; M202-F221 HydrophobicContact CE-CD1 3.81Å; M202-F221 HydrophobicContact CE-CE1 4.25Å; I207-F221 HydrophobicContact CD1-CD1 4.18Å; I207-F221 HydrophobicContact CD1-CE1 3.45Å; I207-F221 VanDerWaalsContact CD1-CE1 3.45Å; I207-F221 HydrophobicContact CD1-CZ 3.65Å; I207-F221 HydrophobicContact CG1-CD1 3.84Å; I207-F221 HydrophobicContact CG1-CE1 3.64Å; I207-F221 HydrophobicContact CG1-CG 4.42Å; I207-F221 HydrophobicContact CG1-CZ 4.03Å; F221-L237 HydrophobicContact CD1-CD1 4.48Å; F221-L237 HydrophobicContact CD1-CD2 4.29Å; F221-L237 HydrophobicContact CD2-CD1 3.92Å; F221-L237 HydrophobicContact CE1-CD1 4.38Å; F221-L237 HydrophobicContact CE1-CD2 3.81Å; F221-L237 HydrophobicContact CE2-CD1 3.83Å; F221-L237 HydrophobicContact CG-CD1 4.25Å; F221-L237 HydrophobicContact CZ-CD1 4.06Å; F221-L237 HydrophobicContact CZ-CD2 3.96Å
222	E	93.4	Very high	91.8	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	148.8	179.9	66.3	-171.6	169.7	0	0	111.2	A103 F205 Q206 R208 T220 G273	A103-E222 HydrophobicContact CB-CB 3.81Å; F205-E222 WeakPolarHBondContact CA-O 3.28Å; F205-E222 VanDerWaalsContact CD1-O 3.28Å; F205-E222 WeakPolarHBondContact CD1-O 3.21Å; Q206-E222 HydrophobicContact CG-CG 3.6Å; Q206-E222 PolarHBondContact N-O 2.96Å; Q206-E222 VanDerWaalsContact NE2-CD 3.28Å; Q206-E222 VanDerWaalsContact NE2-CG 3.34Å; Q206-E222 PolarHBondContact NE2-OE1 3.41Å; Q206-E222 PolarHBondContact O-N 3.46Å; R208-E222 IonicContact CZ-OE1 3.61Å; R208-E222 IonicContact CZ-OE2 3.66Å; R208-E222 VanDerWaalsContact CZ-OE2 3.24Å; R208-E222 IonicContact NE-OE1 3.76Å; R208-E222 IonicContact NH1-OE1 2.69Å; R208-E222 PolarHBondContact NH1-OE1 3.46Å; R208-E222 IonicContact NH1-OE2 2.66Å; R208-E222 PolarHBondContact NH1-OE2 2.04Å; R208-E222 IonicContact NH2-OE1 3.08Å; R208-E222 IonicContact NH2-OE2 3.02Å; R208-E222 PolarHBondContact NH2-OE2 3.1Å; T220-E222 HydrophobicContact CG2-CB 4.5Å; E222-G273 PolarHBondContact OE2-N 3.25Å
223	P	92.7	Very high	91.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	153.4	177.2	22.4	-28.7	0	0	0	111	G204 F205 E228 A229 P272 L332	G204-P223 CarbonylContact O-C 3.57Å; G204-P223 VanDerWaalsContact O-CA 3.32Å; G204-P223 WeakPolarHBondContact O-CA 3.32Å; F205-P223 HydrophobicContact CE1-CB 4.19Å; F205-P223 HydrophobicContact CE1-CG 4.47Å; F205-P223 HydrophobicContact CE2-CB 4.32Å; F205-P223 HydrophobicContact CZ-CB 3.94Å; F205-P223 HydrophobicContact CZ-CG 4.44Å; P223-E228 HydrophobicContact CB-CB 4.38Å; P223-A229 HydrophobicContact CB-CB 3.87Å; P223-A229 HydrophobicContact CG-CB 3.55Å; P223-P272 HydrophobicContact CG-CG 4.15Å; P223-L332 HydrophobicContact CB-CD1 4.14Å; P223-L332 HydrophobicContact CG-CD1 4.23Å; P223-L332 HydrophobicContact CG-CD2 3.86Å; P223-L332 WeakPolarHBondContact O-CD1 3.47Å; P223-L332 WeakPolarHBondContact O-CD2 3.01Å
224	K	88.3	Confident	91.7	Very high	83 Å²	83	30.8 Å²	30.8	36%	0.361	16%	0.156	S	C	.	.	S	Bend	trans	-87.8	-34.9	177.1	-62.4	-179.5	-169.4	176.7	0	112.6	G204 F205 Q206 E228 L332	G204-K224 PolarHBondContact O-N 3.36Å; F205-K224 VanDerWaalsContact C-CE 3.44Å; F205-K224 WeakPolarHBondContact O-CE 3.43Å; Q206-K224 HydrophobicContact CB-CG 4.14Å; K224-E228 WeakPolarHBondContact CB-OE2 3.45Å; K224-E228 PolarHBondContact N-OE2 2.59Å; K224-L332 WeakPolarHBondContact O-CA 3.4Å; K224-L332 WeakPolarHBondContact O-CB 3.42Å; K224-L332 WeakPolarHBondContact O-CD1 3.45Å; K224-L332 PolarHBondContact O-N 3.18Å
225	T	86.4	Confident	91.9	Very high	57 Å²	57	29.8 Å²	29.8	35%	0.35	15%	0.149	S	C	.	.	S	Bend	trans	-127.5	153.8	-179.8	68.4	0	0	0	0	112.8	V227 E228 A229 L332	T225-V227 PolarHBondContact O-N 2.04Å; T225-E228 PolarHBondContact N-OE2 3.25Å; T225-E228 PolarHBondContact O-N 3.3Å; T225-E228 VanDerWaalsContact O-N 3.16Å; T225-E228 VanDerWaalsContact OG1-CG 3.23Å; T225-E228 WeakPolarHBondContact OG1-CG 3.39Å; T225-E228 PolarHBondContact OG1-N 2.97Å; T225-E228 PolarHBondContact OG1-OE2 3.11Å; T225-A229 PolarHBondContact O-N 3.07Å; T225-L332 WeakPolarHBondContact O-CD1 3.46Å
226	K	83.8	Confident	92.1	Very high	145 Å²	145	28.5 Å²	28.5	63%	0.63	15%	0.145	S	C	*	.	H	α-helix	trans	-58.5	-34.8	178.5	-172.8	-177.6	-179.8	-157.3	0	111.7	A229 E230	K226-A229 WeakPolarHBondContact O-CB 3.43Å; K226-A229 PolarHBondContact O-N 2.79Å; K226-E230 WeakPolarHBondContact CE-OE1 3.06Å; K226-E230 IonicContact NZ-OE1 2.64Å; K226-E230 WeakPolarHBondContact O-CG 3.5Å; K226-E230 PolarHBondContact O-N 3.3Å
227	V	87	Confident	92.2	Very high	93 Å²	93	28.5 Å²	28.5	56%	0.564	15%	0.145	S	C	*	.	H	α-helix	trans	-61.2	-50.3	175.9	-179.5	0	0	0	0	110.3	T225 A229 E230 D231	T225-V227 PolarHBondContact O-N 2.04Å; V227-A229 VanDerWaalsContact C-N 3.26Å; V227-A229 PolarHBondContact O-N 2.83Å; V227-E230 PolarHBondContact O-N 3.31Å; V227-E230 VanDerWaalsContact O-N 3.11Å; V227-D231 WeakPolarHBondContact CG1-OD2 3.42Å; V227-D231 WeakPolarHBondContact O-CB 3.1Å; V227-D231 PolarHBondContact O-N 2.97Å
228	E	88.6	Confident	92.1	Very high	47 Å²	47	29 Å²	29	22%	0.22	15%	0.147	C	C	.	.	H	α-helix	trans	-62.7	-34.7	176.7	-68.6	155.4	166.6	0	0	112.3	G204 P223 K224 T225 T232	G204-E228 WeakPolarHBondContact CA-OE1 3.45Å; G204-E228 VanDerWaalsContact CA-OE2 3.25Å; G204-E228 WeakPolarHBondContact CA-OE2 3.43Å; P223-E228 HydrophobicContact CB-CB 4.38Å; K224-E228 WeakPolarHBondContact CB-OE2 3.45Å; K224-E228 PolarHBondContact N-OE2 2.59Å; T225-E228 PolarHBondContact N-OE2 3.25Å; T225-E228 PolarHBondContact O-N 3.3Å; T225-E228 VanDerWaalsContact O-N 3.16Å; T225-E228 VanDerWaalsContact OG1-CG 3.23Å; T225-E228 WeakPolarHBondContact OG1-CG 3.39Å; T225-E228 PolarHBondContact OG1-N 2.97Å; T225-E228 PolarHBondContact OG1-OE2 3.11Å; E228-T232 VanDerWaalsContact O-CB 3.31Å; E228-T232 WeakPolarHBondContact O-CB 3.31Å; E228-T232 PolarHBondContact O-N 3.05Å; E228-T232 PolarHBondContact O-OG1 2.84Å
229	A	89.1	Confident	92	Very high	2 Å²	2	29 Å²	29	2%	0.017	15%	0.147	C	C	.	.	H	α-helix	trans	-64.7	-42.2	173.9	0	0	0	0	0	111.6	P100 F101 P223 T225 K226 V227	P100-A229 HydrophobicContact CB-CB 3.92Å; F101-A229 WeakPolarHBondContact CB-O 3.3Å; F101-A229 PolarHBondContact N-O 3.01Å; P223-A229 HydrophobicContact CB-CB 3.87Å; P223-A229 HydrophobicContact CG-CB 3.55Å; T225-A229 PolarHBondContact O-N 3.07Å; K226-A229 WeakPolarHBondContact O-CB 3.43Å; K226-A229 PolarHBondContact O-N 2.79Å; V227-A229 VanDerWaalsContact C-N 3.26Å; V227-A229 PolarHBondContact O-N 2.83Å
230	E	88.5	Confident	91.8	Very high	50 Å²	50	29.7 Å²	29.7	23%	0.234	15%	0.152	C	C	.	.	H	α-helix	trans	-72.8	-34.8	-179.4	-74.3	177.7	-170	0	0	113.1	K98 K226 V227	K98-E230 HydrophobicContact CB-CG 4.29Å; K98-E230 HydrophobicContact CD-CB 4.27Å; K98-E230 WeakPolarHBondContact CD-OE2 3.35Å; K226-E230 WeakPolarHBondContact CE-OE1 3.06Å; K226-E230 IonicContact NZ-OE1 2.64Å; K226-E230 WeakPolarHBondContact O-CG 3.5Å; K226-E230 PolarHBondContact O-N 3.3Å; V227-E230 PolarHBondContact O-N 3.31Å; V227-E230 VanDerWaalsContact O-N 3.11Å
231	D	88.7	Confident	91.5	Very high	38 Å²	38	30.4 Å²	30.4	20%	0.203	16%	0.156	C	C	.	.	H	α-helix	trans	-88.7	-12.5	-173.9	-64.4	-21.5	0	0	0	113.8	K98 V189 N190 V227 N233	K98-D231 IonicContact NZ-OD1 2.64Å; K98-D231 PolarHBondContact NZ-OD1 2.81Å; V189-D231 HydrophobicContact CG1-CB 3.87Å; V189-D231 WeakPolarHBondContact CG1-O 3.31Å; N190-D231 PolarHBondContact N-O 3.17Å; V227-D231 WeakPolarHBondContact CG1-OD2 3.42Å; V227-D231 WeakPolarHBondContact O-CB 3.1Å; V227-D231 PolarHBondContact O-N 2.97Å; D231-N233 PolarHBondContact O-OD1 3.48Å
232	T	92	Very high	90.8	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	128.8	179.5	-60.5	0	0	0	0	111.2	F101 R187 F205 E228 I235	F101-T232 HydrophobicContact CD1-CG2 4.25Å; F101-T232 HydrophobicContact CD2-CG2 3.79Å; F101-T232 VanDerWaalsContact CD2-O 3.24Å; F101-T232 WeakPolarHBondContact CD2-O 3.33Å; F101-T232 HydrophobicContact CE1-CG2 4.49Å; F101-T232 HydrophobicContact CE2-CG2 4.03Å; F101-T232 HydrophobicContact CG-CG2 3.92Å; F101-T232 HydrophobicContact CZ-CG2 4.38Å; R187-T232 HydrophobicContact CG-CG2 3.89Å; F205-T232 HydrophobicContact CE2-CG2 4.08Å; F205-T232 HydrophobicContact CZ-CG2 4.06Å; E228-T232 VanDerWaalsContact O-CB 3.31Å; E228-T232 WeakPolarHBondContact O-CB 3.31Å; E228-T232 PolarHBondContact O-N 3.05Å; E228-T232 PolarHBondContact O-OG1 2.84Å; T232-I235 HydrophobicContact CG2-CG1 4.12Å
233	N	90.4	Very high	89.9	Confident	63 Å²	63	33.8 Å²	33.8	34%	0.337	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-36.5	-179.6	-62	60.5	0	0	0	112.4	R188 N190 D231 R513	R188-N233 PolarHBondContact O-N 2.92Å; N190-N233 PolarHBondContact N-OD1 2.9Å; N190-N233 VanDerWaalsContact N-OD1 3.16Å; D231-N233 PolarHBondContact O-OD1 3.48Å; N233-R513 PolarHBondContact O-N 3.25Å
234	T	94.9	Very high	89	Confident	13 Å²	13	37.7 Å²	37.7	8%	0.08	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	141.6	-174	-55	0	0	0	0	110.9	R187 R188 V510 L511 K512	R187-T234 WeakPolarHBondContact CA-O 3.37Å; R188-T234 PolarHBondContact N-O 3.08Å; R188-T234 PolarHBondContact O-N 2.8Å; T234-V510 HydrophobicContact CG2-CG1 3.8Å; T234-L511 WeakPolarHBondContact CA-O 3.5Å; T234-K512 HydrophobicContact CG2-CB 4.29Å
235	I	95.9	Very high	88.2	Confident	1 Å²	1	35 Å²	35	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	137.8	163.5	-65.7	176.3	0	0	0	108	F101 M186 R187 F205 T232 L237 V510 L511	F101-I235 HydrophobicContact CD1-CD1 4Å; F101-I235 HydrophobicContact CE1-CB 4.33Å; F101-I235 HydrophobicContact CE1-CD1 3.3Å; F101-I235 HydrophobicContact CE1-CG1 3.73Å; F101-I235 HydrophobicContact CZ-CB 4.1Å; F101-I235 HydrophobicContact CZ-CD1 3.88Å; F101-I235 HydrophobicContact CZ-CG1 3.75Å; M186-I235 CarbonylContact O-C 3.42Å; M186-I235 WeakPolarHBondContact O-CA 3.15Å; R187-I235 HydrophobicContact CG-CG1 4.49Å; F205-I235 HydrophobicContact CD1-CD1 3.73Å; F205-I235 HydrophobicContact CE1-CD1 3.11Å; F205-I235 HydrophobicContact CE1-CG1 4.42Å; F205-I235 HydrophobicContact CE2-CD1 4.01Å; F205-I235 HydrophobicContact CG-CD1 4.4Å; F205-I235 HydrophobicContact CZ-CD1 3.29Å; F205-I235 HydrophobicContact CZ-CG1 4.25Å; T232-I235 HydrophobicContact CG2-CG1 4.12Å; I235-L237 HydrophobicContact CG2-CD1 4.49Å; I235-L237 HydrophobicContact CG2-CD2 4.11Å; I235-L237 HydrophobicContact CG2-CG 4.06Å; I235-V510 CarbonylContact O-C 3.55Å; I235-L511 PolarHBondContact N-O 3.49Å; I235-L511 PolarHBondContact O-N 2.54Å
236	A	96.8	Very high	87.3	Confident	2 Å²	2	35.6 Å²	35.6	2%	0.017	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136.6	176.3	0	0	0	0	0	109.6	C185 M186 Y508 V509 V510	C185-A236 CarbonylContact C-O 3.57Å; C185-A236 VanDerWaalsContact CA-O 3.25Å; C185-A236 WeakPolarHBondContact CA-O 3.36Å; M186-A236 HydrophobicContact CB-CB 4.3Å; M186-A236 HydrophobicContact CE-CB 3.67Å; M186-A236 PolarHBondContact N-O 3.27Å; M186-A236 PolarHBondContact O-N 3.46Å; M186-A236 HydrophobicContact SD-CB 4.42Å; A236-Y508 HydrophobicContact CB-CE2 3.79Å; A236-V509 CarbonylContact C-O 3.32Å; A236-V509 VanDerWaalsContact CA-O 3.3Å; A236-V509 WeakPolarHBondContact CA-O 3.25Å; A236-V510 HydrophobicContact CB-CG2 3.92Å
237	L	96.5	Very high	86.5	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	128.4	-173.7	-59.5	173.4	0	0	0	109.3	L104 I106 N184 C185 F221 I235 V239 Y508 V509	L104-L237 HydrophobicContact CD2-CD1 3.91Å; I106-L237 HydrophobicContact CD1-CD1 3.34Å; N184-L237 WeakPolarHBondContact O-CA 3.29Å; C185-L237 HydrophobicContact CB-CD2 3.35Å; F221-L237 HydrophobicContact CD1-CD1 4.48Å; F221-L237 HydrophobicContact CD1-CD2 4.29Å; F221-L237 HydrophobicContact CD2-CD1 3.92Å; F221-L237 HydrophobicContact CE1-CD1 4.38Å; F221-L237 HydrophobicContact CE1-CD2 3.81Å; F221-L237 HydrophobicContact CE2-CD1 3.83Å; F221-L237 HydrophobicContact CG-CD1 4.25Å; F221-L237 HydrophobicContact CZ-CD1 4.06Å; F221-L237 HydrophobicContact CZ-CD2 3.96Å; I235-L237 HydrophobicContact CG2-CD1 4.49Å; I235-L237 HydrophobicContact CG2-CD2 4.11Å; I235-L237 HydrophobicContact CG2-CG 4.06Å; L237-V239 HydrophobicContact CB-CG2 4.02Å; L237-Y508 WeakPolarHBondContact O-CD2 3.46Å; L237-V509 PolarHBondContact N-O 3.07Å; L237-V509 PolarHBondContact O-N 3.33Å
238	I	94.3	Very high	85.3	Confident	12 Å²	12	39.4 Å²	39.4	6%	0.062	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	112.4	167.2	-57.3	173.8	0	0	0	106.4	L183 N184 W444 L451 L501 Y508	L183-I238 HydrophobicContact CB-CB 4.5Å; L183-I238 HydrophobicContact CB-CG2 4.31Å; L183-I238 HydrophobicContact CD1-CG2 4.15Å; L183-I238 PolarHBondContact N-O 2.84Å; N184-I238 HydrophobicContact CB-CB 4.3Å; N184-I238 HydrophobicContact CB-CD1 4.07Å; N184-I238 HydrophobicContact CB-CG1 4.39Å; N184-I238 PolarHBondContact O-N 2.94Å; I238-W444 HydrophobicContact CD1-CH2 3.55Å; I238-W444 HydrophobicContact CD1-CZ2 3.68Å; I238-W444 HydrophobicContact CG1-CH2 4.26Å; I238-W444 HydrophobicContact CG1-CZ2 4.4Å; I238-W444 HydrophobicContact CG2-CH2 4.44Å; I238-L451 HydrophobicContact CD1-CD1 3.73Å; I238-L451 HydrophobicContact CD1-CD2 4.12Å; I238-L501 HydrophobicContact CG2-CD2 4.13Å; I238-Y508 HydrophobicContact CG1-CD2 3.73Å; I238-Y508 HydrophobicContact CG1-CE2 4.17Å; I238-Y508 HydrophobicContact CG1-CG 4.48Å
239	V	94.6	Very high	84.1	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.3	-173.6	-168.3	0	0	0	0	108.8	I106 A181 F182 L237 L265 F506 A507	I106-V239 HydrophobicContact CD1-CG2 4.46Å; A181-V239 CarbonylContact O-C 3.49Å; A181-V239 WeakPolarHBondContact O-CA 3.29Å; F182-V239 HydrophobicContact CD1-CG1 4.15Å; F182-V239 HydrophobicContact CD1-CG2 3.94Å; F182-V239 HydrophobicContact CE1-CG1 4.08Å; F182-V239 HydrophobicContact CE1-CG2 4.15Å; L237-V239 HydrophobicContact CB-CG2 4.02Å; V239-L265 HydrophobicContact CB-CD1 3.78Å; V239-L265 HydrophobicContact CG1-CD1 3.82Å; V239-L265 HydrophobicContact CG1-CD2 4.13Å; V239-L265 HydrophobicContact CG2-CD1 3.97Å; V239-F506 CarbonylContact O-C 3.58Å; V239-F506 WeakPolarHBondContact O-CA 3.32Å; V239-A507 PolarHBondContact N-O 3.26Å; V239-A507 PolarHBondContact O-N 3.01Å
240	S	92.3	Very high	82.8	Confident	16 Å²	16	46.8 Å²	46.8	11%	0.112	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	139	168.6	-177.1	0	0	0	0	109.8	H108 A181 G242	H108-S240 PolarHBondContact NE2-O 2.94Å; A181-S240 PolarHBondContact O-N 3.09Å; S240-G242 VanDerWaalsContact C-N 3.29Å; S240-G242 PolarHBondContact OG-N 3.15Å
241	L	90.2	Very high	81.5	Confident	15 Å²	15	45.8 Å²	45.8	8%	0.079	24%	0.239	C	C	.	.			trans	-87	-3.6	174.9	-58.7	176.3	0	0	0	112.6	L265 T287 D504 N505	L241-L265 HydrophobicContact CD2-CD2 3.63Å; L241-L265 HydrophobicContact CD2-CG 3.84Å; L241-T287 HydrophobicContact CD1-CG2 3.22Å; L241-D504 WeakPolarHBondContact CD1-O 3.39Å; L241-N505 PolarHBondContact N-O 2.86Å
242	G	82.4	Confident	80.4	Confident	18 Å²	18	45.9 Å²	45.9	19%	0.186	24%	0.238	C	C	.	.			trans	81	-164.8	-174	0	0	0	0	0	112.4	S240	S240-G242 VanDerWaalsContact C-N 3.29Å; S240-G242 PolarHBondContact OG-N 3.15Å
243	T	75.5	Confident	79.5	Confident	53 Å²	53	47.2 Å²	47.2	33%	0.325	25%	0.249	S	C	.	.	S	Bend	trans	-76.3	144.8	176	53.9	0	0	0	0	111.2	Q114	Q114-T243 PolarHBondContact OE1-OG1 3.36Å
244	D	72.9	Confident	79.2	Confident	83 Å²	83	44.5 Å²	44.5	44%	0.444	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-53.1	136.8	171	-71	-48.9	0	0	0	111.3	N246 R263 N505	D244-N246 PolarHBondContact O-N 2.75Å; D244-R263 IonicContact OD1-CZ 2.74Å; D244-R263 IonicContact OD1-NH1 3.16Å; D244-R263 PolarHBondContact OD1-NH1 3.07Å; D244-R263 IonicContact OD1-NH2 2.72Å; D244-R263 PolarHBondContact OD1-NH2 2.94Å; D244-N505 PolarHBondContact OD1-OD1 3.37Å
245	P	71.2	Confident	78.6	Confident	27 Å²	27	47 Å²	47	18%	0.175	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-61.3	129.3	176.8	24.5	-32.9	0	0	0	110.2	Y247	P245-Y247 HydrophobicContact CB-CE1 4.38Å; P245-Y247 HydrophobicContact CB-CE2 4.41Å; P245-Y247 HydrophobicContact CG-CE1 4.16Å; P245-Y247 HydrophobicContact CG-CE2 3.7Å; P245-Y247 VanDerWaalsContact CG-CZ 3.48Å; P245-Y247 WeakPolarHBondContact CG-OH 3.42Å; P245-Y247 WeakPolarHBondContact O-CD2 2.98Å; P245-Y247 PolarHBondContact O-N 3.41Å; P245-Y247 VanDerWaalsContact O-N 3.07Å
246	N	67.9	Low	78	Confident	69 Å²	69	49.4 Å²	49.4	37%	0.369	26%	0.262	S	S	.	.			trans	-79.9	92.1	176.2	-172.8	-1.6	0	0	0	110.6	D244 N248	D244-N246 PolarHBondContact O-N 2.75Å; N246-N248 PolarHBondContact O-N 2.84Å; N246-N248 WeakPolarHBondContact OD1-CB 3.39Å; N246-N248 PolarHBondContact OD1-N 2.91Å
247	Y	66	Low	77.5	Confident	168 Å²	168	50.4 Å²	50.4	66%	0.659	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-66	-21.6	179.5	-63.5	-71.1	0	0	0	114	P245 N249 Q250	P245-Y247 HydrophobicContact CB-CE1 4.38Å; P245-Y247 HydrophobicContact CB-CE2 4.41Å; P245-Y247 HydrophobicContact CG-CE1 4.16Å; P245-Y247 HydrophobicContact CG-CE2 3.7Å; P245-Y247 VanDerWaalsContact CG-CZ 3.48Å; P245-Y247 WeakPolarHBondContact CG-OH 3.42Å; P245-Y247 WeakPolarHBondContact O-CD2 2.98Å; P245-Y247 PolarHBondContact O-N 3.41Å; P245-Y247 VanDerWaalsContact O-N 3.07Å; Y247-N249 PolarHBondContact O-N 3.36Å; Y247-N249 VanDerWaalsContact O-N 3.12Å; Y247-Q250 PolarHBondContact O-N 3.4Å
248	N	63.8	Low	77	Confident	149 Å²	149	55.9 Å²	55.9	80%	0.797	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-61.7	-26.6	-177.5	-65.5	-16.3	0	0	0	112.3	N246	N246-N248 PolarHBondContact O-N 2.84Å; N246-N248 WeakPolarHBondContact OD1-CB 3.39Å; N246-N248 PolarHBondContact OD1-N 2.91Å
249	N	62.8	Low	76.4	Confident	97 Å²	97	64.4 Å²	64.4	52%	0.519	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-95.5	9.6	-179	-72.6	-10.7	0	0	0	113.5	Y247 E251	Y247-N249 PolarHBondContact O-N 3.36Å; Y247-N249 VanDerWaalsContact O-N 3.12Å; N249-E251 HydrophobicContact CB-CG 3.57Å; N249-E251 PolarHBondContact ND2-OE1 2.89Å; N249-E251 PolarHBondContact O-N 3.15Å; N249-E251 VanDerWaalsContact O-N 3.11Å
250	Q	61.6	Low	75.8	Confident	107 Å²	107	70.2 Å²	70.2	50%	0.5	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	32.4	-175.4	-59.5	-178.6	-18.1	0	0	113	Y247 Q252 A253	Y247-Q250 PolarHBondContact O-N 3.4Å; Q250-Q252 PolarHBondContact O-N 3.17Å; Q250-A253 HydrophobicContact CB-CB 4.34Å; Q250-A253 PolarHBondContact O-N 3.3Å
251	E	61.6	Low	75.3	Confident	30 Å²	30	74 Å²	74	14%	0.14	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-21.1	-166	-66.4	-164.5	-170.3	0	0	113.9	Y117 R120 S128 N249	Y117-E251 VanDerWaalsContact CD1-OE2 3.31Å; Y117-E251 WeakPolarHBondContact CD1-OE2 3.37Å; Y117-E251 WeakPolarHBondContact CE1-OE2 3.43Å; R120-E251 IonicContact CZ-OE2 3.24Å; R120-E251 VanDerWaalsContact CZ-OE2 3.32Å; R120-E251 IonicContact NH1-OE2 3.92Å; R120-E251 PolarHBondContact NH1-OE2 3.43Å; R120-E251 IonicContact NH2-OE2 3.32Å; R120-E251 PolarHBondContact NH2-OE2 2.87Å; S128-E251 VanDerWaalsContact CB-O 3.31Å; S128-E251 WeakPolarHBondContact CB-O 3.39Å; S128-E251 PolarHBondContact OG-O 3.29Å; N249-E251 HydrophobicContact CB-CG 3.57Å; N249-E251 PolarHBondContact ND2-OE1 2.89Å; N249-E251 PolarHBondContact O-N 3.15Å; N249-E251 VanDerWaalsContact O-N 3.11Å
252	Q	64.8	Low	75.1	Confident	39 Å²	39	75.6 Å²	75.6	18%	0.182	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.3	45.2	-179.7	-72.8	175.6	-34.5	0	0	111.7	H110 F112 Q250 F254 M261	H110-Q252 VanDerWaalsContact CE1-CD 3.41Å; H110-Q252 PolarHBondContact CE1-NE2 3.01Å; H110-Q252 PolarHBondContact CE1-OE1 3.19Å; H110-Q252 PolarHBondContact ND1-NE2 3.28Å; H110-Q252 PolarHBondContact ND1-OE1 3.08Å; H110-Q252 VanDerWaalsContact ND1-OE1 3.16Å; F112-Q252 HydrophobicContact CD2-CG 4.15Å; F112-Q252 HydrophobicContact CE2-CG 3.73Å; Q250-Q252 PolarHBondContact O-N 3.17Å; Q252-F254 PolarHBondContact O-N 2.86Å; Q252-M261 VanDerWaalsContact O-CE 3.31Å; Q252-M261 WeakPolarHBondContact O-CE 3.18Å
253	A	72.7	Confident	75.3	Confident	30 Å²	30	80.6 Å²	80.6	25%	0.248	41%	0.405	C	S	.	.			trans	-78.3	48.2	175.4	0	0	0	0	0	112	R136 Q250 L255	R136-A253 PolarHBondContact NH2-O 2.71Å; Q250-A253 HydrophobicContact CB-CB 4.34Å; Q250-A253 PolarHBondContact O-N 3.3Å; A253-L255 PolarHBondContact O-N 2.97Å
254	F	84.5	Confident	76.1	Confident	6 Å²	6	78.3 Å²	78.3	3%	0.026	39%	0.392	C	S	.	.			trans	-71.6	122.7	172.1	-67.6	-66.2	0	0	0	108.9	F131 N132 D158 S159 L160 Y163 Q252 D257 M261	F131-F254 AromaticContact CD1-CE1 3.9Å; F131-F254 HydrophobicContact CD1-CE1 3.9Å; F131-F254 HydrophobicContact CE1-CE1 4.38Å; N132-F254 HydrophobicContact CB-CD1 4.37Å; N132-F254 HydrophobicContact CB-CE1 4.32Å; D158-F254 WeakPolarHBondContact OD1-CD1 3.49Å; S159-F254 VanDerWaalsContact C-CD1 3.48Å; L160-F254 HydrophobicContact CB-CD2 3.91Å; L160-F254 HydrophobicContact CB-CE2 3.99Å; L160-F254 HydrophobicContact CB-CG 4.47Å; L160-F254 HydrophobicContact CD1-CD2 4.29Å; L160-F254 HydrophobicContact CD1-CE2 3.65Å; L160-F254 HydrophobicContact CD1-CZ 4.31Å; L160-F254 HydrophobicContact CG-CE2 4.45Å; Y163-F254 HydrophobicContact CD1-CZ 4.23Å; Y163-F254 AromaticContact CG-CZ 3.93Å; Y163-F254 HydrophobicContact CG-CZ 3.93Å; Q252-F254 PolarHBondContact O-N 2.86Å; F254-D257 HydrophobicContact CB-CB 4.02Å; F254-D257 WeakPolarHBondContact CB-OD2 3.45Å; F254-M261 WeakPolarHBondContact O-CE 3.18Å
255	L	82.7	Confident	77.2	Confident	64 Å²	64	74.3 Å²	74.3	34%	0.335	37%	0.371	S	S	.	.	S	Bend	trans	-72.8	-39.6	-167.4	-67.6	172	0	0	0	112.1	Y155 D158 A253	Y155-L255 HydrophobicContact CD2-CD1 4.1Å; Y155-L255 HydrophobicContact CE2-CB 4.06Å; Y155-L255 HydrophobicContact CE2-CD1 3.53Å; Y155-L255 HydrophobicContact CE2-CG 4.39Å; D158-L255 PolarHBondContact O-N 3.11Å; D158-L255 WeakPolarHBondContact OD2-CD1 3.49Å; D158-L255 WeakPolarHBondContact OD2-CG 3.37Å; A253-L255 PolarHBondContact O-N 2.97Å
256	V	83.4	Confident	78.4	Confident	53 Å²	53	74.4 Å²	74.4	32%	0.321	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-75.4	-33.3	-176.6	-167.4	0	0	0	0	111.3	L258	V256-L258 PolarHBondContact O-N 3.11Å
257	D	85.6	Confident	79.8	Confident	22 Å²	22	71.1 Å²	71.1	12%	0.118	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-74.7	-5.8	-175.5	-56.8	-13.2	0	0	0	112.9	S159 L160 F254 F259 E260 M261	S159-D257 VanDerWaalsContact CB-OD1 3.25Å; S159-D257 WeakPolarHBondContact CB-OD1 3.29Å; L160-D257 WeakPolarHBondContact CA-OD2 3.27Å; L160-D257 WeakPolarHBondContact CB-OD2 3.44Å; L160-D257 PolarHBondContact N-OD2 2.97Å; F254-D257 HydrophobicContact CB-CB 4.02Å; F254-D257 WeakPolarHBondContact CB-OD2 3.45Å; D257-F259 PolarHBondContact O-N 2.04Å; D257-E260 CarbonylContact O-C 3.57Å; D257-E260 WeakPolarHBondContact O-CA 3.41Å; D257-E260 PolarHBondContact O-N 3.42Å; D257-M261 HydrophobicContact CB-CE 4.21Å; D257-M261 WeakPolarHBondContact O-CG 3.41Å; D257-M261 PolarHBondContact O-N 3.38Å
258	L	85.2	Confident	81.3	Confident	116 Å²	116	63.1 Å²	63.1	61%	0.607	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-50	-34.8	179.1	-179.4	66.6	0	0	0	112.6	V256 M261	V256-L258 PolarHBondContact O-N 3.11Å; L258-M261 HydrophobicContact CD1-SD 4.43Å
259	F	82.5	Confident	82.9	Confident	190 Å²	190	56.3 Å²	56.3	83%	0.833	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-79.2	-16.8	179.3	-59	-75.5	0	0	0	113.9	D257	D257-F259 PolarHBondContact O-N 2.04Å
260	E	82	Confident	84.4	Confident	122 Å²	122	52 Å²	52	57%	0.57	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-8.8	178.9	-60.9	-170.4	174	0	0	112.7	D257 A262	D257-E260 CarbonylContact O-C 3.57Å; D257-E260 WeakPolarHBondContact O-CA 3.41Å; D257-E260 PolarHBondContact O-N 3.42Å; E260-A262 PolarHBondContact O-N 3.47Å
261	M	81.3	Confident	85.9	Confident	95 Å²	95	47.8 Å²	47.8	47%	0.468	24%	0.239	S	C	.	.			trans	-64.2	102	178.2	-75.8	-179.7	-165	0	0	111.1	Q252 F254 D257 L258	Q252-M261 VanDerWaalsContact O-CE 3.31Å; Q252-M261 WeakPolarHBondContact O-CE 3.18Å; F254-M261 WeakPolarHBondContact O-CE 3.18Å; D257-M261 HydrophobicContact CB-CE 4.21Å; D257-M261 WeakPolarHBondContact O-CG 3.41Å; D257-M261 PolarHBondContact O-N 3.38Å; L258-M261 HydrophobicContact CD1-SD 4.43Å
262	A	86.6	Confident	87.3	Confident	49 Å²	49	46.8 Å²	46.8	41%	0.405	24%	0.236	S	C	.	.			trans	-122.9	157.8	172.7	0	0	0	0	0	110.8	H109 E260	H109-A262 HydrophobicContact CB-CB 4.41Å; H109-A262 WeakPolarHBondContact CB-O 3.44Å; E260-A262 PolarHBondContact O-N 3.47Å
263	R	87.4	Confident	88.4	Confident	123 Å²	123	45 Å²	45	46%	0.464	23%	0.228	S	C	.	.	S	Bend	trans	-106.7	137.7	171	-169.5	-168.8	169.4	127.4	2.9	108.8	D244 T287 D504 N505	D244-R263 IonicContact OD1-CZ 2.74Å; D244-R263 IonicContact OD1-NH1 3.16Å; D244-R263 PolarHBondContact OD1-NH1 3.07Å; D244-R263 IonicContact OD1-NH2 2.72Å; D244-R263 PolarHBondContact OD1-NH2 2.94Å; R263-T287 HydrophobicContact CG-CG2 4.09Å; R263-D504 PolarHBondContact NH2-O 3.42Å; R263-N505 PolarHBondContact NH2-OD1 2.99Å
264	G	92.5	Very high	89.2	Confident	5 Å²	5	44 Å²	44	5%	0.052	22%	0.218	C	C	.	.	S	Bend	trans	119	-148.1	-179.5	0	0	0	0	0	112.7	H109	H109-G264 PolarHBondContact N-O 2.9Å
265	L	95.5	Very high	89.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	149.4	-175.8	-49.7	169.8	0	0	0	111.3	I106 C107 H108 V239 L241 V267 V285 A507 V509	I106-L265 HydrophobicContact CG2-CB 4.32Å; I106-L265 HydrophobicContact CG2-CD1 3.94Å; I106-L265 HydrophobicContact CG2-CD2 4.22Å; I106-L265 HydrophobicContact CG2-CG 4.39Å; C107-L265 CarbonylContact O-C 3.4Å; C107-L265 VanDerWaalsContact O-CA 3.31Å; C107-L265 WeakPolarHBondContact O-CA 3.48Å; H108-L265 HydrophobicContact CB-CD2 4.29Å; V239-L265 HydrophobicContact CB-CD1 3.78Å; V239-L265 HydrophobicContact CG1-CD1 3.82Å; V239-L265 HydrophobicContact CG1-CD2 4.13Å; V239-L265 HydrophobicContact CG2-CD1 3.97Å; L241-L265 HydrophobicContact CD2-CD2 3.63Å; L241-L265 HydrophobicContact CD2-CG 3.84Å; L265-V267 HydrophobicContact CB-CG1 4.23Å; L265-V285 HydrophobicContact CB-CB 4.01Å; L265-V285 HydrophobicContact CB-CG2 4.35Å; L265-V285 HydrophobicContact CD1-CG1 4.42Å; L265-V285 PolarHBondContact O-N 3.17Å; L265-A507 HydrophobicContact CD1-CB 3.88Å; L265-A507 HydrophobicContact CG-CB 4.45Å; L265-V509 HydrophobicContact CD1-CG2 4.17Å
266	R	96	Very high	90.1	Very high	28 Å²	28	42.5 Å²	42.5	11%	0.106	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.7	164.6	-171.9	86.1	172.9	159.1	3	107.4	C107 Y215 L278 E279 G282 L283 H284	C107-R266 HydrophobicContact CB-CB 4.33Å; C107-R266 PolarHBondContact N-O 3.38Å; C107-R266 PolarHBondContact O-N 2.92Å; Y215-R266 HydrophobicContact CE1-CB 4.23Å; Y215-R266 HydrophobicContact CE2-CB 4.38Å; Y215-R266 HydrophobicContact CE2-CG 4.14Å; Y215-R266 WeakPolarHBondContact OH-CD 3.36Å; R266-L278 VanDerWaalsContact CZ-O 3.25Å; R266-L278 PolarHBondContact NE-O 2.91Å; R266-L278 PolarHBondContact NH2-O 3.03Å; R266-E279 PolarHBondContact NH2-O 2.99Å; R266-G282 VanDerWaalsContact CZ-O 3.22Å; R266-G282 PolarHBondContact NH1-O 3.19Å; R266-G282 VanDerWaalsContact NH1-O 3.12Å; R266-G282 PolarHBondContact NH2-O 3.24Å; R266-L283 WeakPolarHBondContact CA-O 3.5Å; R266-H284 PolarHBondContact NH1-CE1 3.48Å; R266-H284 PolarHBondContact NH1-NE2 3.05Å
267	V	97.2	Very high	90.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	145.4	-176.7	-57.8	0	0	0	0	111.9	L104 T105 I106 L265 G282 L283 V285 I293	L104-V267 HydrophobicContact CD1-CB 4.3Å; T105-V267 CarbonylContact O-C 3.59Å; T105-V267 WeakPolarHBondContact O-CA 3.33Å; I106-V267 HydrophobicContact CB-CG1 4.39Å; I106-V267 HydrophobicContact CG1-CG1 3.97Å; I106-V267 HydrophobicContact CG2-CG1 4.24Å; L265-V267 HydrophobicContact CB-CG1 4.23Å; V267-G282 WeakPolarHBondContact O-CA 3.33Å; V267-L283 HydrophobicContact CG2-CB 3.95Å; V267-L283 PolarHBondContact N-O 3.44Å; V267-L283 PolarHBondContact O-N 3.05Å; V267-V285 HydrophobicContact CB-CG2 4.25Å; V267-V285 HydrophobicContact CG1-CG2 3.61Å; V267-V285 HydrophobicContact CG2-CG2 3.56Å; V267-I293 HydrophobicContact CG2-CD1 3.63Å
268	V	97	Very high	91	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	134	177.5	175.7	0	0	0	0	109.9	T105 H270 P276 L278 E281	T105-V268 PolarHBondContact N-O 3.38Å; T105-V268 PolarHBondContact O-N 3.34Å; V268-H270 HydrophobicContact CG1-CB 4.19Å; V268-P276 HydrophobicContact CB-CB 4.37Å; V268-P276 HydrophobicContact CG1-CB 4.36Å; V268-L278 HydrophobicContact CB-CD2 4.39Å; V268-L278 HydrophobicContact CG2-CD2 3.63Å; V268-E281 HydrophobicContact CG1-CB 3.96Å
269	V	97.1	Very high	91.1	Very high	6 Å²	6	40.7 Å²	40.7	4%	0.036	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	116.1	173	-175.7	0	0	0	0	108.3	P102 A103 L104 I293 Y435 L511	P102-V269 HydrophobicContact CB-CG1 3.48Å; P102-V269 VanDerWaalsContact CB-CG1 3.48Å; P102-V269 HydrophobicContact CG-CG1 3.45Å; P102-V269 VanDerWaalsContact CG-CG1 3.45Å; A103-V269 WeakPolarHBondContact O-CA 3.38Å; L104-V269 HydrophobicContact CD1-CG2 4.17Å; V269-I293 HydrophobicContact CG2-CG2 3.89Å; V269-Y435 HydrophobicContact CG1-CG 4.18Å; V269-L511 HydrophobicContact CG1-CD1 4.25Å; V269-L511 HydrophobicContact CG2-CD1 3.73Å
270	H	95.6	Very high	91.4	Very high	7 Å²	7	41.2 Å²	41.2	3%	0.032	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	173.1	-174.3	64.8	90.6	0	0	0	112.4	P102 A103 T105 V268 T274	P102-H270 WeakPolarHBondContact CB-O 3.31Å; A103-H270 PolarHBondContact N-O 3.22Å; A103-H270 PolarHBondContact O-N 3.43Å; T105-H270 PolarHBondContact OG1-NE2 2.96Å; V268-H270 HydrophobicContact CG1-CB 4.19Å; H270-T274 PolarHBondContact CE1-O 2.79Å; H270-T274 PolarHBondContact ND1-O 2.79Å; H270-T274 PolarHBondContact ND1-OG1 2.92Å
271	E	92.7	Very high	91.9	Very high	18 Å²	18	40.3 Å²	40.3	8%	0.084	19%	0.186	C	C	.	.			trans	-65.3	137.4	177.4	-169	180	-178.4	0	0	111.1	G273 T274 R349 R429 Y435	E271-G273 PolarHBondContact O-N 3.47Å; E271-T274 HydrophobicContact CB-CG2 3.89Å; E271-T274 HydrophobicContact CG-CG2 4.41Å; E271-T274 PolarHBondContact O-N 3.08Å; E271-T274 VanDerWaalsContact O-N 3.12Å; E271-T274 PolarHBondContact O-OG1 2.89Å; E271-R349 IonicContact OE1-CZ 3.97Å; E271-R349 IonicContact OE1-NH1 2.7Å; E271-R349 PolarHBondContact OE1-NH1 3.45Å; E271-R349 IonicContact OE1-NH2 3.8Å; E271-R429 IonicContact OE1-NH1 2.77Å; E271-R429 PolarHBondContact OE1-NH1 2.88Å; E271-R429 IonicContact OE2-CZ 2.69Å; E271-R429 IonicContact OE2-NH1 3.18Å; E271-R429 PolarHBondContact OE2-NH1 2.89Å; E271-R429 IonicContact OE2-NH2 3.41Å; E271-R429 PolarHBondContact OE2-NH2 3.05Å; E271-Y435 HydrophobicContact CB-CE2 4.21Å
272	P	91	Very high	92.5	Very high	10 Å²	10	36.4 Å²	36.4	7%	0.065	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	138.4	176.8	-28.3	36.6	0	0	0	113.3	F101 A103 P223 T274 L332	F101-P272 WeakPolarHBondContact O-CG 3.46Å; A103-P272 HydrophobicContact CB-CG 4.45Å; P223-P272 HydrophobicContact CG-CG 4.15Å; P272-T274 VanDerWaalsContact C-N 3.27Å; P272-T274 PolarHBondContact O-N 3.41Å; P272-L332 HydrophobicContact CB-CD2 3.18Å; P272-L332 HydrophobicContact CG-CD2 3.95Å
273	G	87	Confident	92.9	Very high	1 Å²	1	36 Å²	36	1%	0.01	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	-7	-175.6	0	0	0	0	0	116.5	E222 E271 Y348 R349	E222-G273 PolarHBondContact OE2-N 3.25Å; E271-G273 PolarHBondContact O-N 3.47Å; G273-Y348 CarbonylContact O-C 3.52Å; G273-Y348 WeakPolarHBondContact O-CA 3.48Å; G273-R349 WeakPolarHBondContact O-CB 3.46Å; G273-R349 PolarHBondContact O-N 3.24Å
274	T	90.3	Very high	93.2	Very high	8 Å²	8	35.2 Å²	35.2	5%	0.049	16%	0.162	C	C	.	.	S	Bend	trans	-87.8	160.7	175.6	69.2	0	0	0	0	112.1	H270 E271 P272 R349 T351	H270-T274 PolarHBondContact CE1-O 2.79Å; H270-T274 PolarHBondContact ND1-O 2.79Å; H270-T274 PolarHBondContact ND1-OG1 2.92Å; E271-T274 HydrophobicContact CB-CG2 3.89Å; E271-T274 HydrophobicContact CG-CG2 4.41Å; E271-T274 PolarHBondContact O-N 3.08Å; E271-T274 VanDerWaalsContact O-N 3.12Å; E271-T274 PolarHBondContact O-OG1 2.89Å; P272-T274 VanDerWaalsContact C-N 3.27Å; P272-T274 PolarHBondContact O-N 3.41Å; T274-R349 HydrophobicContact CG2-CB 4.38Å; T274-T351 HydrophobicContact CG2-CG2 3.63Å
275	Y	92.3	Very high	93.4	Very high	40 Å²	40	35.2 Å²	35.2	16%	0.157	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-68.9	133.3	173.6	-171.8	-87.1	0	0	0	110.3	D277 D343 Y348 Q354	Y275-D277 PolarHBondContact O-N 3.41Å; Y275-D343 HydrophobicContact CE2-CB 4.34Å; Y275-Y348 VanDerWaalsContact CA-CD1 3.44Å; Y275-Y348 HydrophobicContact CD2-CD1 4.27Å; Y275-Y348 AromaticContact CD2-CD2 3.91Å; Y275-Y348 HydrophobicContact CD2-CD2 3.91Å; Y275-Y348 AromaticContact CD2-CE1 3.98Å; Y275-Y348 HydrophobicContact CD2-CE1 3.98Å; Y275-Y348 AromaticContact CD2-CE2 3.66Å; Y275-Y348 HydrophobicContact CD2-CE2 3.66Å; Y275-Y348 HydrophobicContact CD2-CG 4.2Å; Y275-Y348 AromaticContact CD2-CZ 3.65Å; Y275-Y348 HydrophobicContact CE2-CE2 4.22Å; Y275-Y348 HydrophobicContact CG-CE1 4.48Å; Y275-Q354 HydrophobicContact CG-CG 4.34Å; Y275-Q354 VanDerWaalsContact CG-NE2 3.3Å
276	P	94.8	Very high	93.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-78.4	116.2	175.7	29.1	-30.8	0	0	0	111.1	T105 F210 V268 L278	T105-P276 HydrophobicContact CG2-CB 3.86Å; T105-P276 HydrophobicContact CG2-CG 3.84Å; T105-P276 WeakPolarHBondContact OG1-CB 3.34Å; F210-P276 HydrophobicContact CE1-CG 3.55Å; F210-P276 HydrophobicContact CE2-CG 4.27Å; F210-P276 HydrophobicContact CZ-CG 3.38Å; V268-P276 HydrophobicContact CB-CB 4.37Å; V268-P276 HydrophobicContact CG1-CB 4.36Å; P276-L278 HydrophobicContact CB-CD2 4.43Å; P276-L278 PolarHBondContact O-N 2.9Å; P276-L278 VanDerWaalsContact O-N 3.09Å
277	D	93.2	Very high	93.1	Very high	31 Å²	31	38.9 Å²	38.9	17%	0.166	18%	0.181	C	C	.	.			trans	-81.3	87.7	174.8	-165.9	-30.6	0	0	0	110.4	Y275 E279 R280 E281	Y275-D277 PolarHBondContact O-N 3.41Å; D277-E279 PolarHBondContact O-N 3.33Å; D277-E279 PolarHBondContact OD1-N 2.96Å; D277-R280 WeakPolarHBondContact OD1-CB 3.43Å; D277-R280 WeakPolarHBondContact OD1-CG 3.31Å; D277-R280 PolarHBondContact OD1-N 3.4Å; D277-R280 VanDerWaalsContact OD2-CD 3.28Å; D277-R280 WeakPolarHBondContact OD2-CD 3.35Å; D277-R280 IonicContact OD2-NE 2.68Å; D277-E281 HydrophobicContact CB-CG 4.45Å; D277-E281 WeakPolarHBondContact O-CB 3.38Å; D277-E281 PolarHBondContact O-N 3.2Å
278	L	93	Very high	92.7	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-25.8	-176.7	-61.4	177.5	0	0	0	113.2	T105 C107 F210 H212 Y215 R266 V268 P276 G282	T105-L278 HydrophobicContact CG2-CD2 4.02Å; C107-L278 WeakPolarHBondContact SG-CD1 3.14Å; F210-L278 HydrophobicContact CZ-CD1 4.36Å; H212-L278 HydrophobicContact CB-CD1 4.43Å; Y215-L278 HydrophobicContact CD2-CD1 3.59Å; Y215-L278 HydrophobicContact CE2-CB 4.27Å; Y215-L278 HydrophobicContact CE2-CD1 3.85Å; R266-L278 VanDerWaalsContact CZ-O 3.25Å; R266-L278 PolarHBondContact NE-O 2.91Å; R266-L278 PolarHBondContact NH2-O 3.03Å; V268-L278 HydrophobicContact CB-CD2 4.39Å; V268-L278 HydrophobicContact CG2-CD2 3.63Å; P276-L278 HydrophobicContact CB-CD2 4.43Å; P276-L278 PolarHBondContact O-N 2.9Å; P276-L278 VanDerWaalsContact O-N 3.09Å; L278-G282 WeakPolarHBondContact O-CA 3.35Å; L278-G282 PolarHBondContact O-N 3.41Å
279	E	88.5	Confident	92.5	Very high	118 Å²	118	42.6 Å²	42.6	55%	0.551	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-48.2	-178.3	-66.5	-176.7	174.5	0	0	110.7	R266 D277 Y374	R266-E279 PolarHBondContact NH2-O 2.99Å; D277-E279 PolarHBondContact O-N 3.33Å; D277-E279 PolarHBondContact OD1-N 2.96Å; E279-Y374 VanDerWaalsContact OE1-CD1 3.29Å; E279-Y374 WeakPolarHBondContact OE1-CD1 3.37Å; E279-Y374 WeakPolarHBondContact OE1-CE1 3.45Å
280	R	89	Confident	92.4	Very high	200 Å²	200	43.8 Å²	43.8	76%	0.755	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-37.9	-175.1	-61.1	-173.3	178	-173.5	-5.9	114	D277	D277-R280 WeakPolarHBondContact OD1-CB 3.43Å; D277-R280 WeakPolarHBondContact OD1-CG 3.31Å; D277-R280 PolarHBondContact OD1-N 3.4Å; D277-R280 VanDerWaalsContact OD2-CD 3.28Å; D277-R280 WeakPolarHBondContact OD2-CD 3.35Å; D277-R280 IonicContact OD2-NE 2.68Å
281	E	92.2	Very high	92.5	Very high	103 Å²	103	43.5 Å²	43.5	48%	0.481	21%	0.205	S	C	.	.	S	Bend	trans	-111.1	1.5	-171.1	-59.5	-176.2	170.6	0	0	112.8	V268 D277	V268-E281 HydrophobicContact CG1-CB 3.96Å; D277-E281 HydrophobicContact CB-CG 4.45Å; D277-E281 WeakPolarHBondContact O-CB 3.38Å; D277-E281 PolarHBondContact O-N 3.2Å
282	G	93.5	Very high	92.7	Very high	13 Å²	13	45.2 Å²	45.2	13%	0.134	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-70.5	129.3	-177.2	0	0	0	0	0	114	R266 V267 L278	R266-G282 VanDerWaalsContact CZ-O 3.22Å; R266-G282 PolarHBondContact NH1-O 3.19Å; R266-G282 VanDerWaalsContact NH1-O 3.12Å; R266-G282 PolarHBondContact NH2-O 3.24Å; V267-G282 WeakPolarHBondContact O-CA 3.33Å; L278-G282 WeakPolarHBondContact O-CA 3.35Å; L278-G282 PolarHBondContact O-N 3.41Å
283	L	95.2	Very high	93	Very high	41 Å²	41	44.7 Å²	44.7	22%	0.215	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	146.3	171	-57.4	176	0	0	0	109.9	R266 V267 I293	R266-L283 WeakPolarHBondContact CA-O 3.5Å; V267-L283 HydrophobicContact CG2-CB 3.95Å; V267-L283 PolarHBondContact N-O 3.44Å; V267-L283 PolarHBondContact O-N 3.05Å; L283-I293 HydrophobicContact CD1-CG2 4.27Å
284	H	94.6	Very high	93.4	Very high	107 Å²	107	46 Å²	46	50%	0.495	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	140	172.3	-61.6	-67.4	0	0	0	110.6	H109 R266 I439	H109-H284 AromaticContact CE1-CE1 3.53Å; H109-H284 AromaticContact CE1-ND1 3.24Å; H109-H284 PolarHBondContact CE1-ND1 3.29Å; H109-H284 AromaticContact NE2-CE1 3.8Å; H109-H284 AromaticContact NE2-ND1 3.09Å; H109-H284 PolarHBondContact NE2-ND1 2.94Å; R266-H284 PolarHBondContact NH1-CE1 3.48Å; R266-H284 PolarHBondContact NH1-NE2 3.05Å; H284-I439 VanDerWaalsContact O-CD1 3.32Å; H284-I439 WeakPolarHBondContact O-CD1 3.48Å
285	V	95.3	Very high	93.7	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.024	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127	178.6	174	0	0	0	0	108.9	L265 V267 N291 A507 V509	L265-V285 HydrophobicContact CB-CB 4.01Å; L265-V285 HydrophobicContact CB-CG2 4.35Å; L265-V285 HydrophobicContact CD1-CG1 4.42Å; L265-V285 PolarHBondContact O-N 3.17Å; V267-V285 HydrophobicContact CB-CG2 4.25Å; V267-V285 HydrophobicContact CG1-CG2 3.61Å; V267-V285 HydrophobicContact CG2-CG2 3.56Å; V285-N291 HydrophobicContact CG1-CB 3.84Å; V285-N291 VanDerWaalsContact CG1-CG 3.4Å; V285-N291 WeakPolarHBondContact CG1-ND2 3.22Å; V285-A507 HydrophobicContact CG1-CB 3.69Å; V285-V509 HydrophobicContact CG1-CG2 3.72Å; V285-V509 HydrophobicContact CG2-CG2 4.31Å
286	E	92.4	Very high	93.8	Very high	87 Å²	87	45.3 Å²	45.3	41%	0.407	22%	0.215	S	C	.	.			trans	-75.5	143.3	179.3	-161.9	176.8	172.7	0	0	111.2	K289 N291 V441	E286-K289 HydrophobicContact CG-CD 4.24Å; E286-K289 VanDerWaalsContact OE1-CE 3.26Å; E286-K289 WeakPolarHBondContact OE1-CE 3.39Å; E286-K289 IonicContact OE1-NZ 3.98Å; E286-K289 PolarHBondContact OE1-NZ 3.12Å; E286-K289 WeakPolarHBondContact OE2-CD 3.45Å; E286-K289 IonicContact OE2-NZ 2.79Å; E286-K289 PolarHBondContact OE2-NZ 3.5Å; E286-N291 PolarHBondContact N-OD1 2.83Å; E286-N291 PolarHBondContact O-ND2 2.84Å; E286-V441 HydrophobicContact CB-CG1 4.12Å; E286-V441 WeakPolarHBondContact OE2-CG1 3.31Å
287	T	92.3	Very high	93.8	Very high	18 Å²	18	45.3 Å²	45.3	11%	0.11	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	151.3	-178.8	59.1	0	0	0	0	111.6	L241 R263 K289 D504 F506	L241-T287 HydrophobicContact CD1-CG2 3.22Å; R263-T287 HydrophobicContact CG-CG2 4.09Å; T287-K289 PolarHBondContact O-N 3.03Å; T287-K289 VanDerWaalsContact O-N 3.15Å; T287-D504 WeakPolarHBondContact CB-O 3.49Å; T287-F506 CarbonylContact C-O 3.56Å
288	G	90.3	Very high	93.9	Very high	14 Å²	14	43.9 Å²	43.9	14%	0.144	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	3.8	179.8	0	0	0	0	0	115.2	F506	G288-F506 PolarHBondContact N-O 3Å; G288-F506 WeakPolarHBondContact O-CZ 3.23Å
289	K	93	Very high	94	Very high	64 Å²	64	44.1 Å²	44.1	28%	0.278	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	161.9	-169.3	-69.7	-169.9	-168.9	168.5	0	114.1	E286 T287 N291 V441 T442 Y508	E286-K289 HydrophobicContact CG-CD 4.24Å; E286-K289 VanDerWaalsContact OE1-CE 3.26Å; E286-K289 WeakPolarHBondContact OE1-CE 3.39Å; E286-K289 IonicContact OE1-NZ 3.98Å; E286-K289 PolarHBondContact OE1-NZ 3.12Å; E286-K289 WeakPolarHBondContact OE2-CD 3.45Å; E286-K289 IonicContact OE2-NZ 2.79Å; E286-K289 PolarHBondContact OE2-NZ 3.5Å; T287-K289 PolarHBondContact O-N 3.03Å; T287-K289 VanDerWaalsContact O-N 3.15Å; K289-N291 PolarHBondContact O-ND2 3.26Å; K289-V441 HydrophobicContact CB-CG1 3.82Å; K289-V441 HydrophobicContact CD-CG1 3.66Å; K289-V441 HydrophobicContact CG-CG1 4.41Å; K289-T442 WeakPolarHBondContact CB-O 3.3Å; K289-Y508 PolarHBondContact O-N 2.98Å
290	L	94.6	Very high	94.3	Very high	32 Å²	32	41.5 Å²	41.5	17%	0.168	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	121	165.6	166.5	61.5	0	0	0	108.4	V441 T442 W444 Y508 V510	L290-V441 WeakPolarHBondContact O-CA 3.17Å; L290-T442 HydrophobicContact CB-CG2 4.03Å; L290-T442 HydrophobicContact CD2-CG2 3.7Å; L290-T442 HydrophobicContact CG-CG2 4.07Å; L290-T442 PolarHBondContact N-O 3.13Å; L290-T442 PolarHBondContact O-N 2.91Å; L290-W444 HydrophobicContact CB-CB 4.13Å; L290-Y508 CarbonylContact C-O 3.59Å; L290-Y508 WeakPolarHBondContact CA-O 3.31Å; L290-Y508 HydrophobicContact CB-CD1 3.94Å; L290-Y508 HydrophobicContact CD1-CD1 3.32Å; L290-Y508 HydrophobicContact CD1-CE1 3.5Å; L290-Y508 VanDerWaalsContact CD1-CE1 3.5Å; L290-Y508 HydrophobicContact CD1-CG 4.01Å; L290-Y508 HydrophobicContact CG-CD1 4.1Å; L290-Y508 HydrophobicContact CG-CE1 4.43Å; L290-V510 HydrophobicContact CD1-CB 4.2Å; L290-V510 HydrophobicContact CD1-CG2 3.42Å; L290-V510 VanDerWaalsContact CD1-CG2 3.42Å
291	N	97.2	Very high	94.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	102.1	177.3	-65	-97.2	0	0	0	108.1	V285 E286 K289 I439 V441 Y508 V509 V510	V285-N291 HydrophobicContact CG1-CB 3.84Å; V285-N291 VanDerWaalsContact CG1-CG 3.4Å; V285-N291 WeakPolarHBondContact CG1-ND2 3.22Å; E286-N291 PolarHBondContact N-OD1 2.83Å; E286-N291 PolarHBondContact O-ND2 2.84Å; K289-N291 PolarHBondContact O-ND2 3.26Å; N291-I439 HydrophobicContact CB-CD1 4.29Å; N291-V441 WeakPolarHBondContact OD1-CG2 3.42Å; N291-Y508 PolarHBondContact N-O 2.98Å; N291-V509 WeakPolarHBondContact O-CA 3.5Å; N291-V510 PolarHBondContact O-N 3.26Å
292	E	97.4	Very high	94.7	Very high	54 Å²	54	32.6 Å²	32.6	25%	0.252	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	116	177.9	-175.7	-179.2	116.3	0	0	110.2	N294 I439 S440 V510	E292-N294 PolarHBondContact OE1-ND2 3.5Å; E292-N294 PolarHBondContact OE1-OD1 2.99Å; E292-I439 CarbonylContact O-C 3.54Å; E292-I439 WeakPolarHBondContact O-CA 3.46Å; E292-S440 PolarHBondContact N-O 3.42Å; E292-S440 PolarHBondContact O-N 3.39Å; E292-S440 PolarHBondContact O-OG 3.39Å; E292-V510 CarbonylContact C-O 3.53Å; E292-V510 WeakPolarHBondContact CA-O 3.49Å; E292-V510 HydrophobicContact CB-CB 4.42Å; E292-V510 HydrophobicContact CG-CB 4.35Å; E292-V510 HydrophobicContact CG-CG1 4.32Å
293	I	97.6	Very high	94.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	104.8	175.6	-53.2	169.5	0	0	0	107.3	L104 V267 V269 L283 I439 V509 V510 L511 K512	L104-I293 HydrophobicContact CD1-CD1 4.42Å; V267-I293 HydrophobicContact CG2-CD1 3.63Å; V269-I293 HydrophobicContact CG2-CG2 3.89Å; L283-I293 HydrophobicContact CD1-CG2 4.27Å; I293-I439 HydrophobicContact CG1-CG1 4.45Å; I293-V509 HydrophobicContact CD1-CG1 3.86Å; I293-V510 PolarHBondContact N-O 3.31Å; I293-L511 HydrophobicContact CB-CD1 3.99Å; I293-L511 HydrophobicContact CG2-CD1 3.82Å; I293-L511 WeakPolarHBondContact O-CA 3.46Å; I293-K512 PolarHBondContact O-N 2.89Å
294	N	95.8	Very high	94.5	Very high	29 Å²	29	37.8 Å²	37.8	16%	0.155	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	125.1	174.3	-75.5	-61.9	0	0	0	109.6	E292 S437 T438 K512	E292-N294 PolarHBondContact OE1-ND2 3.5Å; E292-N294 PolarHBondContact OE1-OD1 2.99Å; N294-S437 CarbonylContact O-C 3.56Å; N294-S437 WeakPolarHBondContact O-CA 3.18Å; N294-T438 PolarHBondContact N-O 3.35Å; N294-T438 PolarHBondContact O-N 2.97Å; N294-T438 PolarHBondContact O-OG1 2.93Å; N294-K512 WeakPolarHBondContact CA-O 3.4Å
295	Y	95.4	Very high	94.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	147.7	179.7	76.6	-94.1	0	0	0	113.2	F101 P102 P297 Y435 E436 L511 K512 R513 R514	F101-Y295 HydrophobicContact CD2-CE1 4.18Å; F101-Y295 WeakPolarHBondContact CD2-OH 3.29Å; F101-Y295 AromaticContact CE2-CE1 3.83Å; F101-Y295 HydrophobicContact CE2-CE1 3.83Å; F101-Y295 HydrophobicContact CZ-CE1 4.37Å; P102-Y295 VanDerWaalsContact CD-CZ 3.42Å; P102-Y295 HydrophobicContact CG-CD1 4.16Å; P102-Y295 HydrophobicContact CG-CD2 4.34Å; P102-Y295 HydrophobicContact CG-CE1 3.98Å; P102-Y295 HydrophobicContact CG-CE2 4.19Å; P102-Y295 HydrophobicContact CG-CG 4.32Å; Y295-P297 HydrophobicContact CE2-CG 4.48Å; Y295-Y435 AromaticContact CD2-CD1 3.7Å; Y295-Y435 HydrophobicContact CD2-CD1 3.7Å; Y295-Y435 HydrophobicContact CD2-CE1 4.4Å; Y295-Y435 AromaticContact CE2-CD1 3.99Å; Y295-Y435 HydrophobicContact CE2-CD1 3.99Å; Y295-Y435 HydrophobicContact CE2-CE1 4.24Å; Y295-E436 CarbonylContact C-O 3.58Å; Y295-E436 VanDerWaalsContact CA-O 3.3Å; Y295-E436 WeakPolarHBondContact CA-O 3.27Å; Y295-L511 HydrophobicContact CD1-CD1 3.62Å; Y295-L511 HydrophobicContact CD1-CG 4.07Å; Y295-L511 HydrophobicContact CE1-CD1 4.3Å; Y295-L511 HydrophobicContact CE1-CG 4.25Å; Y295-L511 HydrophobicContact CG-CD1 4.49Å; Y295-K512 WeakPolarHBondContact CD1-O 3.35Å; Y295-K512 PolarHBondContact N-O 3.36Å; Y295-R513 HydrophobicContact CD2-CG 4.43Å; Y295-R513 HydrophobicContact CE1-CB 3.94Å; Y295-R513 HydrophobicContact CE2-CB 4.11Å; Y295-R513 HydrophobicContact CE2-CG 3.78Å; Y295-R513 PolarHBondContact OH-NE 3.23Å; Y295-R513 VanDerWaalsContact OH-NE 3.12Å; Y295-R514 WeakPolarHBondContact O-CB 3.38Å; Y295-R514 PolarHBondContact O-N 3.44Å
296	Q	94.2	Very high	94	Very high	32 Å²	32	37.5 Å²	37.5	15%	0.15	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.2	168.6	178.1	59.4	53.7	0	0	109.7	V298 E436 D517	Q296-V298 PolarHBondContact O-N 3.08Å; Q296-E436 PolarHBondContact N-O 3.34Å; Q296-E436 PolarHBondContact O-N 2.78Å; Q296-E436 VanDerWaalsContact O-N 3.09Å; Q296-D517 PolarHBondContact NE2-O 2.83Å
297	P	94.4	Very high	93.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	131.7	174.1	27.9	-33.9	0	0	0	110.7	S99 Y295 Y435 V518 R519	S99-P297 WeakPolarHBondContact OG-CG 3.35Å; Y295-P297 HydrophobicContact CE2-CG 4.48Å; P297-Y435 HydrophobicContact CB-CD1 4.37Å; P297-Y435 HydrophobicContact CB-CE1 4.27Å; P297-V518 HydrophobicContact CG-CG2 4.21Å; P297-R519 PolarHBondContact O-N 3.09Å
298	V	95.4	Very high	93.6	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	116.3	172.9	-175.9	0	0	0	0	108.9	Q296 Y433 T434 E436 R519	Q296-V298 PolarHBondContact O-N 3.08Å; V298-Y433 WeakPolarHBondContact O-CA 3.44Å; V298-T434 PolarHBondContact N-O 2.98Å; V298-T434 PolarHBondContact O-N 3.16Å; V298-E436 HydrophobicContact CG2-CG 4.06Å; V298-R519 CarbonylContact C-O 3.52Å; V298-R519 VanDerWaalsContact CA-O 3.23Å; V298-R519 WeakPolarHBondContact CA-O 3.28Å; V298-R519 HydrophobicContact CG1-CG 4.45Å; V298-R519 HydrophobicContact CG2-CB 4.24Å
299	L	95.3	Very high	93.6	Very high	9 Å²	9	43.6 Å²	43.6	5%	0.047	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	117.2	174.4	174.9	59.8	0	0	0	109.7	K301 Y433 V518 R519 V520 S521	L299-K301 VanDerWaalsContact CD2-CE 3.45Å; L299-K301 HydrophobicContact CD2-CG 4.39Å; L299-K301 HydrophobicContact CG-CG 4.22Å; L299-Y433 HydrophobicContact CB-CD1 4.14Å; L299-Y433 HydrophobicContact CB-CE1 3.77Å; L299-Y433 HydrophobicContact CD1-CD1 4.38Å; L299-Y433 HydrophobicContact CD1-CD2 4.36Å; L299-Y433 HydrophobicContact CD1-CE1 4.04Å; L299-Y433 HydrophobicContact CD1-CE2 3.99Å; L299-Y433 HydrophobicContact CG-CE1 4.34Å; L299-V518 HydrophobicContact CB-CG1 4Å; L299-R519 PolarHBondContact N-O 2.86Å; L299-V520 HydrophobicContact CB-CG2 4.29Å; L299-V520 HydrophobicContact CD2-CG2 4.45Å; L299-V520 WeakPolarHBondContact O-CA 3.38Å; L299-S521 PolarHBondContact O-N 2.78Å
300	W	95.5	Very high	93.5	Very high	64 Å²	64	41 Å²	41	24%	0.242	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	126.7	171.8	-71.1	87.8	0	0	0	110.3	V89 R431 Y432 T434	V89-W300 HydrophobicContact CG1-CZ3 4.48Å; W300-R431 WeakPolarHBondContact O-CA 3.22Å; W300-Y432 HydrophobicContact CB-CD1 4.04Å; W300-Y432 HydrophobicContact CB-CD2 4.2Å; W300-Y432 HydrophobicContact CB-CE1 3.65Å; W300-Y432 HydrophobicContact CB-CE2 3.82Å; W300-Y432 HydrophobicContact CB-CG 4.29Å; W300-Y432 AromaticContact CD1-CE2 3.44Å; W300-Y432 VanDerWaalsContact CD1-CE2 3.44Å; W300-Y432 AromaticContact CD1-CZ 3.86Å; W300-Y432 HydrophobicContact CD2-CE2 4.46Å; W300-Y432 HydrophobicContact CG-CD2 4.32Å; W300-Y432 HydrophobicContact CG-CE1 4.21Å; W300-Y432 AromaticContact CG-CE2 3.62Å; W300-Y432 HydrophobicContact CG-CE2 3.62Å; W300-Y432 AromaticContact CG-CZ 3.54Å; W300-Y432 PolarHBondContact N-O 2.89Å; W300-Y432 PolarHBondContact O-N 3.31Å; W300-T434 PolarHBondContact NE1-OG1 2.97Å
301	K	94.7	Very high	93	Very high	38 Å²	38	41.6 Å²	41.6	17%	0.165	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	84.6	171.7	-62.6	175.6	-171.5	166.3	0	107.3	E94 L299 C430 V520 S521 Q522 E523	E94-K301 IonicContact OE1-NZ 3.21Å; E94-K301 PolarHBondContact OE1-NZ 3.11Å; L299-K301 VanDerWaalsContact CD2-CE 3.45Å; L299-K301 HydrophobicContact CD2-CG 4.39Å; L299-K301 HydrophobicContact CG-CG 4.22Å; K301-C430 CarbonylContact C-O 3.55Å; K301-C430 WeakPolarHBondContact CA-O 3.15Å; K301-V520 HydrophobicContact CD-CG1 3.73Å; K301-V520 HydrophobicContact CG-CG1 4.25Å; K301-S521 PolarHBondContact N-O 3.1Å; K301-Q522 HydrophobicContact CB-CB 4.13Å; K301-Q522 HydrophobicContact CB-CG 4.04Å; K301-Q522 HydrophobicContact CD-CB 4.48Å; K301-E523 PolarHBondContact O-N 3.15Å
302	R	94.1	Very high	92	Very high	78 Å²	78	44.5 Å²	44.5	29%	0.294	23%	0.232	S	C	.	.			trans	-76	146.5	177.8	-61.5	-166.8	179.6	-154.1	3.4	111.3	C310 P428 C430 Y432 E523	R302-C310 HydrophobicContact CB-CB 4.38Å; R302-P428 VanDerWaalsContact NH1-CG 3.28Å; R302-C430 PolarHBondContact N-O 2.79Å; R302-Y432 HydrophobicContact CG-CE1 4.23Å; R302-Y432 PolarHBondContact NE-OH 2.64Å; R302-Y432 PolarHBondContact NH2-OH 3.28Å; R302-E523 WeakPolarHBondContact CA-OE2 3.38Å; R302-E523 VanDerWaalsContact CB-OE2 3.31Å; R302-E523 WeakPolarHBondContact CB-OE2 3.08Å
303	L	93	Very high	90.2	Very high	57 Å²	57	45.5 Å²	45.5	30%	0.298	24%	0.237	S	C	.	.			trans	-95.1	128.7	178.2	-176.2	67.9	0	0	0	109.5	V87 T305 E523 L525	V87-L303 HydrophobicContact CG1-CB 4.49Å; V87-L303 HydrophobicContact CG1-CD2 4.04Å; L303-T305 HydrophobicContact CB-CG2 4.42Å; L303-T305 HydrophobicContact CD2-CG2 3.9Å; L303-T305 HydrophobicContact CG-CG2 3.97Å; L303-T305 PolarHBondContact O-N 3.33Å; L303-T305 VanDerWaalsContact O-N 3.16Å; L303-E523 HydrophobicContact CB-CB 3.92Å; L303-E523 PolarHBondContact N-OE2 2.81Å; L303-L525 HydrophobicContact CD2-CD1 4.43Å; L303-L525 HydrophobicContact CD2-CD2 3.56Å; L303-L525 HydrophobicContact CD2-CG 3.52Å
304	N	91.9	Very high	88.2	Confident	105 Å²	105	51.3 Å²	51.3	56%	0.561	26%	0.262	S	S	*	.			trans	-75	105.6	176.3	-169.6	28.4	0	0	0	109.9	P309 C310	N304-P309 WeakPolarHBondContact OD1-CA 3.46Å; N304-C310 VanDerWaalsContact CA-SG 3.53Å; N304-C310 VanDerWaalsContact CB-SG 3.6Å; N304-C310 PolarHBondContact N-SG 2.67Å; N304-C310 PolarHBondContact OD1-N 2.93Å; N304-C310 PolarHBondContact OD1-O 2.62Å
305	T	90.8	Very high	86.1	Confident	6 Å²	6	53.2 Å²	53.2	4%	0.037	27%	0.272	C	S	.	.			trans	-116.9	158.9	177.1	71.8	0	0	0	0	111.4	V87 L303 Q307 N308 P309 L525	V87-T305 HydrophobicContact CG1-CG2 3.85Å; L303-T305 HydrophobicContact CB-CG2 4.42Å; L303-T305 HydrophobicContact CD2-CG2 3.9Å; L303-T305 HydrophobicContact CG-CG2 3.97Å; L303-T305 PolarHBondContact O-N 3.33Å; L303-T305 VanDerWaalsContact O-N 3.16Å; T305-Q307 VanDerWaalsContact C-N 3.27Å; T305-Q307 PolarHBondContact O-N 3.17Å; T305-N308 PolarHBondContact N-O 3.21Å; T305-N308 CarbonylContact O-C 3.2Å; T305-N308 PolarHBondContact O-N 2.98Å; T305-N308 PolarHBondContact OG1-N 2.91Å; T305-N308 PolarHBondContact OG1-O 2.72Å; T305-P309 WeakPolarHBondContact O-CA 3.49Å; T305-P309 VanDerWaalsContact O-N 3.11Å; T305-L525 HydrophobicContact CG2-CD2 4.35Å
306	P	89.1	Confident	83.5	Confident	99 Å²	99	63.1 Å²	63.1	64%	0.643	31%	0.311	S	S	*	.	S	Bend	trans	-60.1	-34	176.6	-25.5	35.5	0	0	0	114	Y85	Y85-P306 HydrophobicContact CD2-CG 4.05Å; Y85-P306 HydrophobicContact CE2-CG 3.97Å; Y85-P306 HydrophobicContact CG-CG 4.49Å
307	Q	86.7	Confident	81.4	Confident	111 Å²	111	63.7 Å²	63.7	52%	0.519	31%	0.312	S	S	.	.	S	Bend	trans	-79.9	-37.8	178.2	-64.4	-163.8	-0.8	0	0	112.5	V84 T305 P309	V84-Q307 PolarHBondContact O-NE2 3.33Å; V84-Q307 VanDerWaalsContact O-NE2 3.11Å; V84-Q307 PolarHBondContact O-OE1 2.8Å; T305-Q307 VanDerWaalsContact C-N 3.27Å; T305-Q307 PolarHBondContact O-N 3.17Å; Q307-P309 WeakPolarHBondContact O-CD 3.23Å
308	N	89.2	Confident	79	Confident	100 Å²	100	68 Å²	68	54%	0.535	34%	0.335	S	S	.	.	S	Bend	trans	-125.8	76.2	-178.8	-65.8	-54.8	0	0	0	109.5	T305	T305-N308 PolarHBondContact N-O 3.21Å; T305-N308 CarbonylContact O-C 3.2Å; T305-N308 PolarHBondContact O-N 2.98Å; T305-N308 PolarHBondContact OG1-N 2.91Å; T305-N308 PolarHBondContact OG1-O 2.72Å
309	P	91	Very high	76.7	Confident	36 Å²	36	72.9 Å²	72.9	23%	0.234	37%	0.367	C	S	.	.			trans	-66.6	144.5	-179.6	27.1	-35.3	0	0	0	110.8	N304 T305 Q307 H427	N304-P309 WeakPolarHBondContact OD1-CA 3.46Å; T305-P309 WeakPolarHBondContact O-CA 3.49Å; T305-P309 VanDerWaalsContact O-N 3.11Å; Q307-P309 WeakPolarHBondContact O-CD 3.23Å; P309-H427 WeakPolarHBondContact CG-CE1 3.43Å
310	C	91.4	Very high	74.4	Confident	9 Å²	9	78.9 Å²	78.9	6%	0.061	39%	0.394	C	S	.	.			trans	-126.2	148.3	170.1	70.8	0	0	0	0	110.3	R302 N304 P428 C430	R302-C310 HydrophobicContact CB-CB 4.38Å; N304-C310 VanDerWaalsContact CA-SG 3.53Å; N304-C310 VanDerWaalsContact CB-SG 3.6Å; N304-C310 PolarHBondContact N-SG 2.67Å; N304-C310 PolarHBondContact OD1-N 2.93Å; N304-C310 PolarHBondContact OD1-O 2.62Å; C310-P428 CarbonylContact C-O 3.5Å; C310-P428 VanDerWaalsContact CA-O 3.26Å; C310-P428 WeakPolarHBondContact CA-O 3.3Å; C310-P428 HydrophobicContact CB-CG 4.4Å; C310-P428 WeakPolarHBondContact CB-O 3.08Å; C310-C430 HydrophobicContact CB-CB 4.02Å; C310-C430 WeakPolarHBondContact CB-SG 3.39Å; C310-C430 PolarHBondContact O-SG 2.78Å; C310-C430 WeakPolarHBondContact SG-CA 3.27Å; C310-C430 WeakPolarHBondContact SG-CB 3.31Å; C310-C430 CovalentContact SG-SG 2.04Å; C310-C430 PolarHBondContact SG-SG 2.83Å
311	R	83.6	Confident	72	Confident	45 Å²	45	80.5 Å²	80.5	17%	0.17	41%	0.407	C	S	.	.	B	Isolated β-bridge	trans	-84.1	121	178.8	-174.5	172.9	-78.5	174.2	-1.1	109.8	Y339 P428 C430	R311-Y339 VanDerWaalsContact NH1-CE2 3.26Å; R311-Y339 VanDerWaalsContact NH1-CG 3.26Å; R311-P428 PolarHBondContact N-O 3.32Å; R311-C430 PolarHBondContact O-N 3.23Å; R311-C430 PolarHBondContact O-SG 2.78Å
312	A	75.5	Confident	69.5	Low	62 Å²	62	79.2 Å²	79.2	51%	0.512	40%	0.404	S	S	.	.			trans	-62	142.5	170	0	0	0	0	0	110.1	F314	A312-F314 PolarHBondContact O-N 2.7Å
313	E	60.6	Low	67	Low	75 Å²	75	78.8 Å²	78.8	35%	0.35	41%	0.412	S	S	.	.	S	Bend	trans	-65.6	-26.5	-174.7	-168.6	168.9	-164.5	0	0	112.8	F337 R349	E313-F337 HydrophobicContact CG-CD1 4.21Å; E313-F337 HydrophobicContact CG-CE1 3.58Å; E313-F337 WeakPolarHBondContact OE1-CE1 3.43Å; E313-R349 IonicContact OE1-CZ 3.6Å; E313-R349 IonicContact OE1-NH2 3.93Å; E313-R349 PolarHBondContact OE1-NH2 3.03Å
314	F	54.4	Low	64.8	Low	121 Å²	121	81.6 Å²	81.6	53%	0.531	43%	0.427	S	S	.	.			trans	-104.9	114.2	-176.8	-122.3	-97.5	0	0	0	110.7	A312 Y316 C336	A312-F314 PolarHBondContact O-N 2.7Å; F314-Y316 HydrophobicContact CD1-CE2 4.41Å; F314-C336 HydrophobicContact CD2-CB 3.97Å; F314-C336 HydrophobicContact CE1-CB 4.21Å; F314-C336 HydrophobicContact CE2-CB 3.51Å; F314-C336 HydrophobicContact CZ-CB 3.65Å; F314-C336 WeakPolarHBondContact CZ-SG 3.42Å
315	I	51.4	Low	62.7	Low	70 Å²	70	78 Å²	78	36%	0.359	41%	0.409	S	S	.	.			trans	-119.9	124.8	152.2	-50.3	-179.6	0	0	0	104.9	R317 A338 Y339	I315-R317 VanDerWaalsContact C-N 3.33Å; I315-R317 PolarHBondContact O-N 2.69Å; I315-A338 HydrophobicContact CB-CB 3.67Å; I315-A338 HydrophobicContact CD1-CB 3.73Å; I315-A338 HydrophobicContact CG1-CB 3.8Å; I315-Y339 HydrophobicContact CD1-CE2 3.6Å; I315-Y339 WeakPolarHBondContact CD1-OH 3.3Å
316	Y	40.8	Very low	60.5	Low	208 Å²	208	81 Å²	81	82%	0.816	42%	0.424	S	S	*	.			trans	-56.8	100	167.4	-77.2	-90.3	0	0	0	107.6	F314	F314-Y316 HydrophobicContact CD1-CE2 4.41Å
317	R	49.8	Very low	58.6	Low	43 Å²	43	86.4 Å²	86.4	16%	0.162	43%	0.433	C	S	.	.			trans	-65.6	146.9	169.1	-77.6	-165.5	-164.8	-145.7	4.9	108	I315 L321 A322 T325 F337 A338	I315-R317 VanDerWaalsContact C-N 3.33Å; I315-R317 PolarHBondContact O-N 2.69Å; R317-L321 PolarHBondContact NH1-O 2.75Å; R317-A322 HydrophobicContact CB-CB 4.09Å; R317-T325 PolarHBondContact NH1-OG1 3.09Å; R317-F337 PolarHBondContact NE-O 2.8Å; R317-F337 PolarHBondContact NH2-O 3.29Å; R317-A338 VanDerWaalsContact CZ-O 3.23Å; R317-A338 PolarHBondContact NE-O 3.48Å; R317-A338 PolarHBondContact NH2-O 3.01Å; R317-A338 VanDerWaalsContact NH2-O 3.15Å
318	N	44.2	Very low	57	Low	92 Å²	92	87.2 Å²	87.2	49%	0.492	44%	0.435	S	S	.	.			trans	-52.2	127.5	156.6	177.1	-4.3	0	0	0	107.5	E320 L321 A322	N318-E320 PolarHBondContact ND2-OE2 3.14Å; N318-E320 PolarHBondContact O-N 2.77Å; N318-E320 PolarHBondContact OD1-N 3.18Å; N318-L321 PolarHBondContact O-N 2.64Å; N318-A322 PolarHBondContact O-N 3.46Å; N318-A322 VanDerWaalsContact O-N 3.15Å
319	P	47.7	Very low	55.3	Low	103 Å²	103	83.5 Å²	83.5	67%	0.669	42%	0.415	S	S	*	.	H	α-helix	trans	-48.7	-30.6	-179.8	2	-14.7	0	0	0	114.3	A322 S323	P319-A322 PolarHBondContact O-N 2.86Å; P319-S323 WeakPolarHBondContact O-CB 3.45Å; P319-S323 PolarHBondContact O-N 3.39Å; P319-S323 PolarHBondContact O-OG 2.91Å
320	E	47.6	Very low	53.4	Low	135 Å²	135	82.8 Å²	82.8	63%	0.631	41%	0.411	S	S	*	.	H	α-helix	trans	-65.8	-37.3	173.9	-71.1	179.3	147.9	0	0	113.7	N318 S323 I324	N318-E320 PolarHBondContact ND2-OE2 3.14Å; N318-E320 PolarHBondContact O-N 2.77Å; N318-E320 PolarHBondContact OD1-N 3.18Å; E320-S323 PolarHBondContact O-OG 2.91Å; E320-I324 WeakPolarHBondContact O-CG1 3.35Å; E320-I324 PolarHBondContact O-N 2.94Å
321	L	43.9	Very low	51.6	Low	97 Å²	97	94 Å²	94	51%	0.508	45%	0.452	S	S	.	.	H	α-helix	trans	-81.5	-22.6	179.5	-159.9	72	0	0	0	111.7	R317 N318 T325	R317-L321 PolarHBondContact NH1-O 2.75Å; N318-L321 PolarHBondContact O-N 2.64Å; L321-T325 PolarHBondContact O-OG1 3.04Å; L321-T325 VanDerWaalsContact O-OG1 3.09Å
322	A	43.6	Very low	49.9	Very low	12 Å²	12	93.4 Å²	93.4	10%	0.099	45%	0.452	C	S	.	.	H	α-helix	trans	-71.6	-44.2	169.4	0	0	0	0	0	111	R317 N318 P319 I324 T325 D326	R317-A322 HydrophobicContact CB-CB 4.09Å; N318-A322 PolarHBondContact O-N 3.46Å; N318-A322 VanDerWaalsContact O-N 3.15Å; P319-A322 PolarHBondContact O-N 2.86Å; A322-I324 PolarHBondContact O-N 3.45Å; A322-T325 PolarHBondContact O-N 2.89Å; A322-T325 VanDerWaalsContact O-N 3.08Å; A322-T325 PolarHBondContact O-OG1 3.06Å; A322-D326 PolarHBondContact O-N 3.18Å
323	S	41.2	Very low	48.6	Very low	68 Å²	68	91.1 Å²	91.1	48%	0.476	43%	0.431	S	S	.	.	H	α-helix	trans	-64.8	-35.3	-177.9	70.5	0	0	0	0	113.7	P319 E320 T325 D326	P319-S323 WeakPolarHBondContact O-CB 3.45Å; P319-S323 PolarHBondContact O-N 3.39Å; P319-S323 PolarHBondContact O-OG 2.91Å; E320-S323 PolarHBondContact O-OG 2.91Å; S323-T325 VanDerWaalsContact C-N 3.28Å; S323-T325 PolarHBondContact O-N 3.14Å; S323-D326 PolarHBondContact O-N 3.13Å
324	I	46	Very low	47.7	Very low	117 Å²	117	89.2 Å²	89.2	60%	0.6	43%	0.432	S	S	*	.	H	α-helix	trans	-63.6	-35.9	174.4	-65.1	165.8	0	0	0	111.1	E320 A322	E320-I324 WeakPolarHBondContact O-CG1 3.35Å; E320-I324 PolarHBondContact O-N 2.94Å; A322-I324 PolarHBondContact O-N 3.45Å
325	T	48.6	Very low	47.1	Very low	29 Å²	29	89.1 Å²	89.1	18%	0.178	44%	0.436	C	S	.	.	H	α-helix	trans	-82.8	-29.3	177.8	41.3	0	0	0	0	113.9	R317 L321 A322 S323 Y327 K328 L329	R317-T325 PolarHBondContact NH1-OG1 3.09Å; L321-T325 PolarHBondContact O-OG1 3.04Å; L321-T325 VanDerWaalsContact O-OG1 3.09Å; A322-T325 PolarHBondContact O-N 2.89Å; A322-T325 VanDerWaalsContact O-N 3.08Å; A322-T325 PolarHBondContact O-OG1 3.06Å; S323-T325 VanDerWaalsContact C-N 3.28Å; S323-T325 PolarHBondContact O-N 3.14Å; T325-Y327 VanDerWaalsContact C-N 3.26Å; T325-Y327 PolarHBondContact O-N 3.33Å; T325-K328 PolarHBondContact O-N 3Å; T325-K328 VanDerWaalsContact O-N 3.1Å; T325-L329 HydrophobicContact CG2-CD1 4.48Å; T325-L329 PolarHBondContact O-N 3.32Å
326	D	44.3	Very low	46.6	Very low	69 Å²	69	87.9 Å²	87.9	37%	0.369	43%	0.434	S	S	.	.	H	α-helix	trans	-61.2	-31.9	179.9	-85.5	-13.1	0	0	0	113.5	A322 S323 K328 L335	A322-D326 PolarHBondContact O-N 3.18Å; S323-D326 PolarHBondContact O-N 3.13Å; D326-K328 VanDerWaalsContact C-N 3.27Å; D326-K328 PolarHBondContact O-N 3.26Å; D326-L335 WeakPolarHBondContact OD1-CG 3.41Å; D326-L335 WeakPolarHBondContact OD2-CD2 3.41Å
327	Y	49.2	Very low	47	Very low	212 Å²	212	79.9 Å²	79.9	83%	0.831	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-23.2	178.5	-173.6	-99.7	0	0	0	112.9	T325	T325-Y327 VanDerWaalsContact C-N 3.26Å; T325-Y327 PolarHBondContact O-N 3.33Å
328	K	53.8	Low	46.9	Very low	129 Å²	129	78.7 Å²	78.7	56%	0.561	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-20.3	-172.4	-66.5	-169.7	177.1	-175.1	0	114.7	T325 D326 S347	T325-K328 PolarHBondContact O-N 3Å; T325-K328 VanDerWaalsContact O-N 3.1Å; D326-K328 VanDerWaalsContact C-N 3.27Å; D326-K328 PolarHBondContact O-N 3.26Å; K328-S347 WeakPolarHBondContact CB-OG 3.47Å
329	L	53.7	Low	47.7	Very low	22 Å²	22	78.7 Å²	78.7	12%	0.115	40%	0.397	C	S	.	.	S	Bend	trans	-101	145.7	174.3	-82.1	115.5	0	0	0	111.9	T325 T333 A340	T325-L329 HydrophobicContact CG2-CD1 4.48Å; T325-L329 PolarHBondContact O-N 3.32Å; L329-T333 WeakPolarHBondContact CB-OG1 3.44Å; L329-T333 HydrophobicContact CD2-CG2 3.89Å; L329-A340 HydrophobicContact CD1-CB 3.58Å
330	P	51.3	Low	48.8	Very low	21 Å²	21	75.2 Å²	75.2	14%	0.136	38%	0.376	C	S	.	.			trans	-64.3	146.1	174.9	-15.1	27	0	0	0	113.1	L332 T333	P330-L332 PolarHBondContact O-N 3.3Å; P330-T333 PolarHBondContact O-N 3.38Å; P330-T333 PolarHBondContact O-OG1 3.37Å
331	R	52.2	Low	50.3	Low	243 Å²	243	69.6 Å²	69.6	92%	0.917	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-18.3	179.5	-70.3	-175	-175.2	173.9	1.8	114.8	T333	R331-T333 PolarHBondContact O-N 2.97Å
332	L	48.1	Very low	52.2	Low	33 Å²	33	67.5 Å²	67.5	17%	0.173	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-32.4	173.6	-160.8	86.2	0	0	0	112.8	P223 K224 T225 P272 P330 G334	P223-L332 HydrophobicContact CB-CD1 4.14Å; P223-L332 HydrophobicContact CG-CD1 4.23Å; P223-L332 HydrophobicContact CG-CD2 3.86Å; P223-L332 WeakPolarHBondContact O-CD1 3.47Å; P223-L332 WeakPolarHBondContact O-CD2 3.01Å; K224-L332 WeakPolarHBondContact O-CA 3.4Å; K224-L332 WeakPolarHBondContact O-CB 3.42Å; K224-L332 WeakPolarHBondContact O-CD1 3.45Å; K224-L332 PolarHBondContact O-N 3.18Å; T225-L332 WeakPolarHBondContact O-CD1 3.46Å; P272-L332 HydrophobicContact CB-CD2 3.18Å; P272-L332 HydrophobicContact CG-CD2 3.95Å; P330-L332 PolarHBondContact O-N 3.3Å; L332-G334 VanDerWaalsContact C-N 3.3Å; L332-G334 PolarHBondContact O-N 2.99Å
333	T	49.4	Very low	54.3	Low	14 Å²	14	67.1 Å²	67.1	9%	0.086	34%	0.335	C	S	.	.	S	Bend	trans	-80	87.1	169.6	65.2	0	0	0	0	106.4	L329 P330 R331 L335	L329-T333 WeakPolarHBondContact CB-OG1 3.44Å; L329-T333 HydrophobicContact CD2-CG2 3.89Å; P330-T333 PolarHBondContact O-N 3.38Å; P330-T333 PolarHBondContact O-OG1 3.37Å; R331-T333 PolarHBondContact O-N 2.97Å; T333-L335 PolarHBondContact O-N 2.82Å
334	G	40.6	Very low	56.6	Low	36 Å²	36	64.5 Å²	64.5	37%	0.371	32%	0.316	S	S	.	.			trans	-41.2	144.5	177.7	0	0	0	0	0	111.6	L332 C336 F337	L332-G334 VanDerWaalsContact C-N 3.3Å; L332-G334 PolarHBondContact O-N 2.99Å; G334-C336 PolarHBondContact O-N 2.78Å; G334-F337 WeakPolarHBondContact O-CD2 3.11Å; G334-F337 WeakPolarHBondContact O-CE2 3.47Å
335	L	41.9	Very low	58.4	Low	118 Å²	118	63.4 Å²	63.4	62%	0.618	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	6.6	-173.1	-81.1	95.9	0	0	0	116.7	D326 T333	D326-L335 WeakPolarHBondContact OD1-CG 3.41Å; D326-L335 WeakPolarHBondContact OD2-CD2 3.41Å; T333-L335 PolarHBondContact O-N 2.82Å
336	C	40.8	Very low	60.1	Low	45 Å²	45	62.6 Å²	62.6	30%	0.304	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-1.8	-166.7	-55	0	0	0	0	114.1	F314 G334 A338	F314-C336 HydrophobicContact CD2-CB 3.97Å; F314-C336 HydrophobicContact CE1-CB 4.21Å; F314-C336 HydrophobicContact CE2-CB 3.51Å; F314-C336 HydrophobicContact CZ-CB 3.65Å; F314-C336 WeakPolarHBondContact CZ-SG 3.42Å; G334-C336 PolarHBondContact O-N 2.78Å; C336-A338 PolarHBondContact O-N 3.09Å
337	F	49	Very low	62	Low	40 Å²	40	59.5 Å²	59.5	18%	0.175	29%	0.29	C	S	.	.			trans	-80.4	119.5	-179.4	-63.1	-60.1	0	0	0	111.2	E313 R317 G334 Y339 R349	E313-F337 HydrophobicContact CG-CD1 4.21Å; E313-F337 HydrophobicContact CG-CE1 3.58Å; E313-F337 WeakPolarHBondContact OE1-CE1 3.43Å; R317-F337 PolarHBondContact NE-O 2.8Å; R317-F337 PolarHBondContact NH2-O 3.29Å; G334-F337 WeakPolarHBondContact O-CD2 3.11Å; G334-F337 WeakPolarHBondContact O-CE2 3.47Å; F337-Y339 VanDerWaalsContact C-N 3.32Å; F337-Y339 PolarHBondContact O-N 3.42Å; F337-R349 HydrophobicContact CG-CG 4.41Å
338	A	47.9	Very low	63.8	Low	18 Å²	18	49.5 Å²	49.5	15%	0.149	25%	0.25	C	S	.	.			trans	-71.5	-20.4	-174.2	0	0	0	0	0	115.3	I315 R317 C336	I315-A338 HydrophobicContact CB-CB 3.67Å; I315-A338 HydrophobicContact CD1-CB 3.73Å; I315-A338 HydrophobicContact CG1-CB 3.8Å; R317-A338 VanDerWaalsContact CZ-O 3.23Å; R317-A338 PolarHBondContact NE-O 3.48Å; R317-A338 PolarHBondContact NH2-O 3.01Å; R317-A338 VanDerWaalsContact NH2-O 3.15Å; C336-A338 PolarHBondContact O-N 3.09Å
339	Y	60.9	Low	65.2	Low	92 Å²	92	44.1 Å²	44.1	36%	0.361	23%	0.227	S	C	.	.			trans	-139.2	131.5	-172.1	-53.6	-84.5	0	0	0	111.3	R311 I315 F337 Y350	R311-Y339 VanDerWaalsContact NH1-CE2 3.26Å; R311-Y339 VanDerWaalsContact NH1-CG 3.26Å; I315-Y339 HydrophobicContact CD1-CE2 3.6Å; I315-Y339 WeakPolarHBondContact CD1-OH 3.3Å; F337-Y339 VanDerWaalsContact C-N 3.32Å; F337-Y339 PolarHBondContact O-N 3.42Å; Y339-Y350 HydrophobicContact CG-CD2 4.43Å; Y339-Y350 WeakPolarHBondContact O-CB 3.39Å; Y339-Y350 PolarHBondContact O-N 3.44Å
340	A	70.4	Confident	66.7	Low	29 Å²	29	43.4 Å²	43.4	24%	0.24	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	146.6	170.3	0	0	0	0	0	109	L329 Y348	L329-A340 HydrophobicContact CD1-CB 3.58Å; A340-Y348 CarbonylContact C-O 3.57Å; A340-Y348 WeakPolarHBondContact CA-O 3.36Å; A340-Y348 WeakPolarHBondContact CB-O 3.29Å
341	Y	79.1	Confident	68.5	Low	18 Å²	18	43.3 Å²	43.3	7%	0.071	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	145.8	176.2	-60.4	-69.5	0	0	0	109.3	S347 Y348 Y350 Q354 C355 F358	Y341-S347 CarbonylContact O-C 3.54Å; Y341-S347 WeakPolarHBondContact O-CA 3.48Å; Y341-Y348 PolarHBondContact N-O 3.05Å; Y341-Y348 PolarHBondContact O-N 3.34Å; Y341-Y350 AromaticContact CE2-CD2 3.38Å; Y341-Y350 HydrophobicContact CE2-CD2 3.38Å; Y341-Y350 AromaticContact CE2-CE2 3.92Å; Y341-Y350 HydrophobicContact CE2-CE2 3.92Å; Y341-Y350 HydrophobicContact CE2-CG 4.24Å; Y341-Y350 AromaticContact CZ-CD2 3.75Å; Y341-Y350 VanDerWaalsContact OH-CD2 3.32Å; Y341-Y350 WeakPolarHBondContact OH-CD2 3.31Å; Y341-Y350 WeakPolarHBondContact OH-CE2 3.34Å; Y341-Q354 HydrophobicContact CD2-CB 4.1Å; Y341-C355 HydrophobicContact CE2-CB 3.85Å; Y341-C355 VanDerWaalsContact OH-CB 3.28Å; Y341-C355 WeakPolarHBondContact OH-CB 3.43Å; Y341-C355 PolarHBondContact OH-SG 3.04Å; Y341-F358 HydrophobicContact CD1-CB 3.94Å; Y341-F358 AromaticContact CD1-CD1 3.44Å; Y341-F358 HydrophobicContact CD1-CD1 3.44Å; Y341-F358 VanDerWaalsContact CD1-CD1 3.44Å; Y341-F358 HydrophobicContact CD1-CD2 4.08Å; Y341-F358 AromaticContact CD1-CE1 3.82Å; Y341-F358 HydrophobicContact CD1-CE1 3.82Å; Y341-F358 HydrophobicContact CD1-CE2 4.43Å; Y341-F358 AromaticContact CD1-CG 3.56Å; Y341-F358 HydrophobicContact CD1-CG 3.56Å; Y341-F358 HydrophobicContact CD1-CZ 4.32Å; Y341-F358 HydrophobicContact CE1-CB 4.3Å; Y341-F358 AromaticContact CE1-CD1 3.59Å; Y341-F358 HydrophobicContact CE1-CD1 3.59Å; Y341-F358 HydrophobicContact CE1-CE1 4.07Å; Y341-F358 HydrophobicContact CE1-CG 4.07Å; Y341-F358 HydrophobicContact CG-CB 4.42Å; Y341-F358 HydrophobicContact CG-CG 4.34Å
342	N	83.5	Confident	70.4	Confident	53 Å²	53	34.3 Å²	34.3	28%	0.283	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	133.9	177.4	-61.4	-27.4	0	0	0	109.4	V346 S347	N342-V346 VanDerWaalsContact CA-O 3.31Å; N342-V346 WeakPolarHBondContact CA-O 3.26Å; N342-S347 WeakPolarHBondContact OD1-CB 3.47Å; N342-S347 PolarHBondContact OD1-OG 3.28Å
343	D	88.9	Confident	72.4	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	109.6	158.8	-177.8	30.2	0	0	0	107.4	Y275 N345 V346 Y348 P376 R377	Y275-D343 HydrophobicContact CE2-CB 4.34Å; D343-N345 PolarHBondContact O-N 3.43Å; D343-V346 PolarHBondContact N-O 2.92Å; D343-V346 PolarHBondContact O-N 3.3Å; D343-Y348 HydrophobicContact CB-CD2 4.35Å; D343-Y348 HydrophobicContact CB-CE2 3.91Å; D343-P376 HydrophobicContact CB-CB 4.25Å; D343-R377 CarbonylContact C-O 2.95Å; D343-R377 WeakPolarHBondContact CA-O 3.47Å; D343-R377 WeakPolarHBondContact OD1-CB 3.34Å; D343-R377 IonicContact OD1-CZ 3.35Å; D343-R377 PolarHBondContact OD1-N 2.92Å; D343-R377 IonicContact OD1-NE 2.97Å; D343-R377 PolarHBondContact OD1-NE 3.41Å; D343-R377 IonicContact OD1-NH2 3.32Å; D343-R377 PolarHBondContact OD1-NH2 3.42Å; D343-R377 IonicContact OD2-CZ 2.86Å; D343-R377 IonicContact OD2-NE 2.94Å; D343-R377 IonicContact OD2-NH2 3.18Å; D343-R377 PolarHBondContact OD2-NH2 2.85Å
344	L	88.4	Confident	74.3	Confident	13 Å²	13	34.5 Å²	34.5	7%	0.068	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	-115.6	-167.8	-56.8	177.4	0	0	0	111.8	R377 Y380	L344-R377 VanDerWaalsContact CD1-CZ 3.48Å; L344-R377 HydrophobicContact CD2-CB 3.71Å; L344-R377 HydrophobicContact CG-CB 4.17Å; L344-R377 PolarHBondContact N-O 3.19Å; L344-Y380 HydrophobicContact CB-CD1 4.46Å; L344-Y380 HydrophobicContact CB-CE1 3.98Å; L344-Y380 HydrophobicContact CD1-CD1 4.42Å; L344-Y380 HydrophobicContact CD1-CE1 4.07Å; L344-Y380 HydrophobicContact CD2-CD1 3.82Å; L344-Y380 HydrophobicContact CD2-CE1 4.15Å; L344-Y380 HydrophobicContact CD2-CG 4.35Å; L344-Y380 HydrophobicContact CG-CD1 4.48Å; L344-Y380 HydrophobicContact CG-CE1 4.31Å
345	N	84.1	Confident	76.8	Confident	94 Å²	94	32.9 Å²	32.9	50%	0.503	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	2.2	179.2	62.2	-20.9	0	0	0	113.5	Y173 D343 Y380	Y173-N345 PolarHBondContact OH-OD1 3.1Å; Y173-N345 VanDerWaalsContact OH-OD1 3.12Å; D343-N345 PolarHBondContact O-N 3.43Å; N345-Y380 HydrophobicContact CB-CE2 4.31Å; N345-Y380 VanDerWaalsContact CB-OH 3.26Å; N345-Y380 WeakPolarHBondContact CB-OH 3.4Å; N345-Y380 PolarHBondContact ND2-OH 2.75Å; N345-Y380 PolarHBondContact OD1-OH 3.5Å
346	V	85.5	Confident	79.2	Confident	11 Å²	11	27.7 Å²	27.7	7%	0.067	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.1	-174.6	-170	0	0	0	0	110.6	R208 F210 N342 D343 Y348	R208-V346 HydrophobicContact CG-CG1 4.05Å; F210-V346 HydrophobicContact CB-CG2 4.02Å; N342-V346 VanDerWaalsContact CA-O 3.31Å; N342-V346 WeakPolarHBondContact CA-O 3.26Å; D343-V346 PolarHBondContact N-O 2.92Å; D343-V346 PolarHBondContact O-N 3.3Å; V346-Y348 HydrophobicContact CB-CE2 3.7Å; V346-Y348 HydrophobicContact CG1-CD2 4.26Å; V346-Y348 HydrophobicContact CG1-CE1 4.06Å; V346-Y348 HydrophobicContact CG1-CE2 3.54Å; V346-Y348 VanDerWaalsContact CG1-CZ 3.48Å
347	S	83.7	Confident	81.6	Confident	5 Å²	5	27.3 Å²	27.3	4%	0.035	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	131.9	175.4	-63.8	0	0	0	0	111	K328 Y341 N342	K328-S347 WeakPolarHBondContact CB-OG 3.47Å; Y341-S347 CarbonylContact O-C 3.54Å; Y341-S347 WeakPolarHBondContact O-CA 3.48Å; N342-S347 WeakPolarHBondContact OD1-CB 3.47Å; N342-S347 PolarHBondContact OD1-OG 3.28Å
348	Y	86	Confident	83.7	Confident	1 Å²	1	26.6 Å²	26.6	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	144.1	179.7	-63	-83.7	0	0	0	111.1	F210 G273 Y275 A340 Y341 D343 V346	F210-Y348 VanDerWaalsContact CB-OH 3.29Å; F210-Y348 WeakPolarHBondContact CB-OH 3.43Å; F210-Y348 WeakPolarHBondContact CG-OH 3.43Å; G273-Y348 CarbonylContact O-C 3.52Å; G273-Y348 WeakPolarHBondContact O-CA 3.48Å; Y275-Y348 VanDerWaalsContact CA-CD1 3.44Å; Y275-Y348 HydrophobicContact CD2-CD1 4.27Å; Y275-Y348 AromaticContact CD2-CD2 3.91Å; Y275-Y348 HydrophobicContact CD2-CD2 3.91Å; Y275-Y348 AromaticContact CD2-CE1 3.98Å; Y275-Y348 HydrophobicContact CD2-CE1 3.98Å; Y275-Y348 AromaticContact CD2-CE2 3.66Å; Y275-Y348 HydrophobicContact CD2-CE2 3.66Å; Y275-Y348 HydrophobicContact CD2-CG 4.2Å; Y275-Y348 AromaticContact CD2-CZ 3.65Å; Y275-Y348 HydrophobicContact CE2-CE2 4.22Å; Y275-Y348 HydrophobicContact CG-CE1 4.48Å; A340-Y348 CarbonylContact C-O 3.57Å; A340-Y348 WeakPolarHBondContact CA-O 3.36Å; A340-Y348 WeakPolarHBondContact CB-O 3.29Å; Y341-Y348 PolarHBondContact N-O 3.05Å; Y341-Y348 PolarHBondContact O-N 3.34Å; D343-Y348 HydrophobicContact CB-CD2 4.35Å; D343-Y348 HydrophobicContact CB-CE2 3.91Å; V346-Y348 HydrophobicContact CB-CE2 3.7Å; V346-Y348 HydrophobicContact CG1-CD2 4.26Å; V346-Y348 HydrophobicContact CG1-CE1 4.06Å; V346-Y348 HydrophobicContact CG1-CE2 3.54Å; V346-Y348 VanDerWaalsContact CG1-CZ 3.48Å
349	R	83.2	Confident	85.7	Confident	16 Å²	16	27.6 Å²	27.6	6%	0.06	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	146.5	173.4	-175	174.7	176.3	-156.6	-7.1	110.4	E271 G273 T274 E313 F337 T351	E271-R349 IonicContact OE1-CZ 3.97Å; E271-R349 IonicContact OE1-NH1 2.7Å; E271-R349 PolarHBondContact OE1-NH1 3.45Å; E271-R349 IonicContact OE1-NH2 3.8Å; G273-R349 WeakPolarHBondContact O-CB 3.46Å; G273-R349 PolarHBondContact O-N 3.24Å; T274-R349 HydrophobicContact CG2-CB 4.38Å; E313-R349 IonicContact OE1-CZ 3.6Å; E313-R349 IonicContact OE1-NH2 3.93Å; E313-R349 PolarHBondContact OE1-NH2 3.03Å; F337-R349 HydrophobicContact CG-CG 4.41Å; R349-T351 PolarHBondContact O-N 2.96Å
350	Y	86.5	Confident	87.3	Confident	7 Å²	7	23.2 Å²	23.2	3%	0.027	13%	0.126	C	C	.	.			trans	-52.1	123.2	176.3	-179	-88.6	0	0	0	113.1	Y339 Y341 C355 H427 R429	Y339-Y350 HydrophobicContact CG-CD2 4.43Å; Y339-Y350 WeakPolarHBondContact O-CB 3.39Å; Y339-Y350 PolarHBondContact O-N 3.44Å; Y341-Y350 AromaticContact CE2-CD2 3.38Å; Y341-Y350 HydrophobicContact CE2-CD2 3.38Å; Y341-Y350 AromaticContact CE2-CE2 3.92Å; Y341-Y350 HydrophobicContact CE2-CE2 3.92Å; Y341-Y350 HydrophobicContact CE2-CG 4.24Å; Y341-Y350 AromaticContact CZ-CD2 3.75Å; Y341-Y350 VanDerWaalsContact OH-CD2 3.32Å; Y341-Y350 WeakPolarHBondContact OH-CD2 3.31Å; Y341-Y350 WeakPolarHBondContact OH-CE2 3.34Å; Y350-C355 HydrophobicContact CD2-CB 4.4Å; Y350-C355 HydrophobicContact CE2-CB 3.59Å; Y350-H427 VanDerWaalsContact CE1-O 3.26Å; Y350-H427 WeakPolarHBondContact CE1-O 3.37Å; Y350-H427 PolarHBondContact OH-N 3.06Å; Y350-H427 PolarHBondContact OH-O 2.79Å; Y350-R429 HydrophobicContact CD1-CG 3.82Å; Y350-R429 HydrophobicContact CE1-CG 4.19Å; Y350-R429 PolarHBondContact O-NE 3.43Å; Y350-R429 VanDerWaalsContact O-NE 3.08Å
351	T	89.4	Confident	88.4	Confident	19 Å²	19	21.9 Å²	21.9	12%	0.117	11%	0.114	C	C	.	.			trans	-126	158.3	158.7	69.6	0	0	0	0	108.5	T274 R349 S353 Q354 C355	T274-T351 HydrophobicContact CG2-CG2 3.63Å; R349-T351 PolarHBondContact O-N 2.96Å; T351-S353 PolarHBondContact OG1-OG 2.89Å; T351-S353 VanDerWaalsContact OG1-OG 3.14Å; T351-Q354 PolarHBondContact O-N 2.97Å; T351-Q354 VanDerWaalsContact OG1-CB 3.3Å; T351-Q354 WeakPolarHBondContact OG1-CB 3.48Å; T351-Q354 WeakPolarHBondContact OG1-CG 3.25Å; T351-Q354 PolarHBondContact OG1-N 2.93Å; T351-C355 PolarHBondContact O-N 3.01Å
352	Q	90.6	Very high	89	Confident	54 Å²	54	25.9 Å²	25.9	25%	0.252	13%	0.132	S	C	.	.	H	α-helix	trans	-61	-46.4	178.2	-179.6	172.9	25.4	0	0	111.2	Q354 C355 I356 C426	Q352-Q354 PolarHBondContact O-N 3.19Å; Q352-C355 WeakPolarHBondContact O-CB 3.44Å; Q352-C355 PolarHBondContact O-N 3.21Å; Q352-I356 HydrophobicContact CG-CD1 3.84Å; Q352-I356 WeakPolarHBondContact O-CD1 3.36Å; Q352-I356 VanDerWaalsContact O-CG1 3.31Å; Q352-I356 WeakPolarHBondContact O-CG1 3.24Å; Q352-I356 PolarHBondContact O-N 3.18Å; Q352-I356 VanDerWaalsContact O-N 3.1Å; Q352-C426 WeakPolarHBondContact CG-O 3.42Å; Q352-C426 PolarHBondContact NE2-O 2.94Å; Q352-C426 VanDerWaalsContact NE2-O 3.07Å
353	S	90.8	Very high	89.4	Confident	46 Å²	46	24.9 Å²	24.9	32%	0.322	13%	0.127	S	C	.	.	H	α-helix	trans	-57.3	-47.9	178.7	51.7	0	0	0	0	112.1	T351 C355 I356 L357	T351-S353 PolarHBondContact OG1-OG 2.89Å; T351-S353 VanDerWaalsContact OG1-OG 3.14Å; S353-C355 VanDerWaalsContact C-N 3.34Å; S353-C355 PolarHBondContact O-N 3.33Å; S353-I356 PolarHBondContact O-N 3.17Å; S353-L357 WeakPolarHBondContact O-CG 3.33Å; S353-L357 PolarHBondContact O-N 2.96Å
354	Q	90.3	Very high	89.7	Confident	6 Å²	6	24.7 Å²	24.7	3%	0.028	13%	0.126	C	C	.	.	H	α-helix	trans	-66.5	-35.8	-180	-68.2	-63.1	-46.2	0	0	112.5	Y275 Y341 T351 Q352 F358	Y275-Q354 HydrophobicContact CG-CG 4.34Å; Y275-Q354 VanDerWaalsContact CG-NE2 3.3Å; Y341-Q354 HydrophobicContact CD2-CB 4.1Å; T351-Q354 PolarHBondContact O-N 2.97Å; T351-Q354 VanDerWaalsContact OG1-CB 3.3Å; T351-Q354 WeakPolarHBondContact OG1-CB 3.48Å; T351-Q354 WeakPolarHBondContact OG1-CG 3.25Å; T351-Q354 PolarHBondContact OG1-N 2.93Å; Q352-Q354 PolarHBondContact O-N 3.19Å; Q354-F358 WeakPolarHBondContact O-CB 3.06Å; Q354-F358 PolarHBondContact O-N 2.71Å
355	C	91.3	Very high	90	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.007	13%	0.131	C	C	.	.	H	α-helix	trans	-58.9	-49.3	172.9	-179.8	0	0	0	0	111.6	Y341 Y350 T351 Q352 S353 F358 H359 C426	Y341-C355 HydrophobicContact CE2-CB 3.85Å; Y341-C355 VanDerWaalsContact OH-CB 3.28Å; Y341-C355 WeakPolarHBondContact OH-CB 3.43Å; Y341-C355 PolarHBondContact OH-SG 3.04Å; Y350-C355 HydrophobicContact CD2-CB 4.4Å; Y350-C355 HydrophobicContact CE2-CB 3.59Å; T351-C355 PolarHBondContact O-N 3.01Å; Q352-C355 WeakPolarHBondContact O-CB 3.44Å; Q352-C355 PolarHBondContact O-N 3.21Å; S353-C355 VanDerWaalsContact C-N 3.34Å; S353-C355 PolarHBondContact O-N 3.33Å; C355-F358 PolarHBondContact O-N 3.07Å; C355-H359 PolarHBondContact O-CD2 2.86Å; C355-H359 VanDerWaalsContact O-CD2 3.29Å; C355-H359 PolarHBondContact O-N 3.38Å; C355-C426 HydrophobicContact CB-CB 3.66Å; C355-C426 WeakPolarHBondContact CB-SG 3.32Å; C355-C426 WeakPolarHBondContact SG-CA 3.47Å; C355-C426 WeakPolarHBondContact SG-CB 3.49Å; C355-C426 CovalentContact SG-SG 2.04Å; C355-C426 PolarHBondContact SG-SG 3.13Å
356	I	92.1	Very high	90.4	Very high	10 Å²	10	28.4 Å²	28.4	5%	0.051	14%	0.138	C	C	.	.	H	α-helix	trans	-62	-50.4	-177.8	-63.1	154.6	0	0	0	110.1	Q352 S353 F358 H359 Q360 K418 E422 C426	Q352-I356 HydrophobicContact CG-CD1 3.84Å; Q352-I356 WeakPolarHBondContact O-CD1 3.36Å; Q352-I356 VanDerWaalsContact O-CG1 3.31Å; Q352-I356 WeakPolarHBondContact O-CG1 3.24Å; Q352-I356 PolarHBondContact O-N 3.18Å; Q352-I356 VanDerWaalsContact O-N 3.1Å; S353-I356 PolarHBondContact O-N 3.17Å; I356-F358 VanDerWaalsContact C-N 3.32Å; I356-F358 PolarHBondContact O-N 2.68Å; I356-H359 PolarHBondContact O-N 3.17Å; I356-Q360 WeakPolarHBondContact O-CB 3.44Å; I356-Q360 PolarHBondContact O-N 3.19Å; I356-K418 HydrophobicContact CG2-CB 3.96Å; I356-K418 HydrophobicContact CG2-CG 3.94Å; I356-E422 HydrophobicContact CD1-CG 3.31Å; I356-E422 HydrophobicContact CG1-CG 3.97Å; I356-C426 HydrophobicContact CG1-CB 3.7Å; I356-C426 PolarHBondContact N-SG 3.46Å
357	L	92.6	Very high	90.8	Very high	37 Å²	37	33.4 Å²	33.4	19%	0.194	16%	0.161	C	C	.	.	H	α-helix	trans	-65	-36	-179.1	-61.4	177.2	0	0	0	112.1	S353 Q361 N375 P376	S353-L357 WeakPolarHBondContact O-CG 3.33Å; S353-L357 PolarHBondContact O-N 2.96Å; L357-Q361 WeakPolarHBondContact O-CB 3.3Å; L357-Q361 PolarHBondContact O-N 3.12Å; L357-N375 PolarHBondContact O-ND2 3.14Å; L357-P376 HydrophobicContact CB-CG 4.29Å
358	F	92.1	Very high	91.3	Very high	25 Å²	25	33.7 Å²	33.7	11%	0.11	16%	0.163	C	C	.	.	H	α-helix	trans	-68.4	-40.7	176.6	-178.2	-101.4	0	0	0	112.7	Y341 Q354 C355 I356 Q361 K362 P376 P378	Y341-F358 HydrophobicContact CD1-CB 3.94Å; Y341-F358 AromaticContact CD1-CD1 3.44Å; Y341-F358 HydrophobicContact CD1-CD1 3.44Å; Y341-F358 VanDerWaalsContact CD1-CD1 3.44Å; Y341-F358 HydrophobicContact CD1-CD2 4.08Å; Y341-F358 AromaticContact CD1-CE1 3.82Å; Y341-F358 HydrophobicContact CD1-CE1 3.82Å; Y341-F358 HydrophobicContact CD1-CE2 4.43Å; Y341-F358 AromaticContact CD1-CG 3.56Å; Y341-F358 HydrophobicContact CD1-CG 3.56Å; Y341-F358 HydrophobicContact CD1-CZ 4.32Å; Y341-F358 HydrophobicContact CE1-CB 4.3Å; Y341-F358 AromaticContact CE1-CD1 3.59Å; Y341-F358 HydrophobicContact CE1-CD1 3.59Å; Y341-F358 HydrophobicContact CE1-CE1 4.07Å; Y341-F358 HydrophobicContact CE1-CG 4.07Å; Y341-F358 HydrophobicContact CG-CB 4.42Å; Y341-F358 HydrophobicContact CG-CG 4.34Å; Q354-F358 WeakPolarHBondContact O-CB 3.06Å; Q354-F358 PolarHBondContact O-N 2.71Å; C355-F358 PolarHBondContact O-N 3.07Å; I356-F358 VanDerWaalsContact C-N 3.32Å; I356-F358 PolarHBondContact O-N 2.68Å; F358-Q361 WeakPolarHBondContact O-CB 3.27Å; F358-Q361 PolarHBondContact O-N 2.83Å; F358-K362 HydrophobicContact CD1-CD 4.39Å; F358-K362 HydrophobicContact CE1-CD 4.01Å; F358-K362 PolarHBondContact O-N 2.93Å; F358-P376 HydrophobicContact CD2-CB 4.38Å; F358-P378 HydrophobicContact CE2-CB 4.07Å
359	H	91.1	Very high	91.7	Very high	38 Å²	38	42.2 Å²	42.2	18%	0.176	20%	0.195	C	C	.	.	H	α-helix	trans	-68.1	-41.9	174.8	-85.8	-78.6	0	0	0	111.8	C355 I356 Q361 K362 D363 Y421 L425	C355-H359 PolarHBondContact O-CD2 2.86Å; C355-H359 VanDerWaalsContact O-CD2 3.29Å; C355-H359 PolarHBondContact O-N 3.38Å; I356-H359 PolarHBondContact O-N 3.17Å; H359-Q361 VanDerWaalsContact C-N 3.27Å; H359-Q361 PolarHBondContact O-N 3.34Å; H359-K362 WeakPolarHBondContact O-CB 3.42Å; H359-K362 PolarHBondContact O-N 3.37Å; H359-K362 VanDerWaalsContact O-N 3.09Å; H359-D363 PolarHBondContact O-N 3.12Å; H359-D363 VanDerWaalsContact O-N 3.13Å; H359-Y421 HydrophobicContact CB-CD1 3.96Å; H359-Y421 HydrophobicContact CB-CD2 4.06Å; H359-Y421 HydrophobicContact CB-CE1 3.8Å; H359-Y421 HydrophobicContact CB-CE2 3.88Å; H359-Y421 HydrophobicContact CB-CG 4.1Å; H359-L425 WeakPolarHBondContact CE1-CD2 3.23Å; H359-L425 WeakPolarHBondContact NE2-CD2 3.45Å
360	Q	92.8	Very high	92.2	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-57.5	-41	171	-171.4	175.1	45.8	0	0	111.6	I356 K362 D363 I364 N375 P412	I356-Q360 WeakPolarHBondContact O-CB 3.44Å; I356-Q360 PolarHBondContact O-N 3.19Å; Q360-K362 VanDerWaalsContact C-N 3.35Å; Q360-K362 PolarHBondContact O-N 3.44Å; Q360-D363 PolarHBondContact O-N 3.43Å; Q360-I364 HydrophobicContact CG-CD1 4.11Å; Q360-I364 VanDerWaalsContact O-CG1 3.26Å; Q360-I364 WeakPolarHBondContact O-CG1 3.38Å; Q360-I364 PolarHBondContact O-N 2.82Å; Q360-N375 PolarHBondContact OE1-ND2 3.29Å; Q360-P412 WeakPolarHBondContact CG-O 3.4Å; Q360-P412 PolarHBondContact NE2-O 3.12Å
361	Q	93.8	Very high	92.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.5	-39.8	174.9	-172.5	72.8	-17.6	0	0	112.8	L357 F358 H359 D363 I364 I365 Q371 Y372 N375 P376	L357-Q361 WeakPolarHBondContact O-CB 3.3Å; L357-Q361 PolarHBondContact O-N 3.12Å; F358-Q361 WeakPolarHBondContact O-CB 3.27Å; F358-Q361 PolarHBondContact O-N 2.83Å; H359-Q361 VanDerWaalsContact C-N 3.27Å; H359-Q361 PolarHBondContact O-N 3.34Å; Q361-D363 VanDerWaalsContact C-N 3.29Å; Q361-D363 PolarHBondContact O-N 3.25Å; Q361-I364 PolarHBondContact O-N 3.44Å; Q361-I365 HydrophobicContact CG-CD1 3.85Å; Q361-I365 HydrophobicContact CG-CG1 4.3Å; Q361-I365 WeakPolarHBondContact O-CB 3.35Å; Q361-I365 VanDerWaalsContact O-CG1 3.28Å; Q361-I365 WeakPolarHBondContact O-CG1 3.26Å; Q361-I365 PolarHBondContact O-N 3.49Å; Q361-Q371 VanDerWaalsContact NE2-CA 3.31Å; Q361-Q371 VanDerWaalsContact NE2-CB 3.34Å; Q361-Y372 VanDerWaalsContact NE2-N 3.14Å; Q361-Y372 PolarHBondContact NE2-O 2.8Å; Q361-Y372 PolarHBondContact OE1-O 3.28Å; Q361-N375 HydrophobicContact CB-CB 3.99Å; Q361-N375 HydrophobicContact CG-CB 4.39Å; Q361-P376 WeakPolarHBondContact CG-O 3.42Å
362	K	92.1	Very high	92.8	Very high	103 Å²	103	43.1 Å²	43.1	45%	0.448	20%	0.196	S	C	.	.	H	α-helix	trans	-61.3	-40.6	177	-78	-178.9	166.4	179.7	0	111.8	F358 H359 Q360 I365 K366	F358-K362 HydrophobicContact CD1-CD 4.39Å; F358-K362 HydrophobicContact CE1-CD 4.01Å; F358-K362 PolarHBondContact O-N 2.93Å; H359-K362 WeakPolarHBondContact O-CB 3.42Å; H359-K362 PolarHBondContact O-N 3.37Å; H359-K362 VanDerWaalsContact O-N 3.09Å; Q360-K362 VanDerWaalsContact C-N 3.35Å; Q360-K362 PolarHBondContact O-N 3.44Å; K362-I365 PolarHBondContact O-N 3.23Å; K362-K366 VanDerWaalsContact O-CB 3.29Å; K362-K366 WeakPolarHBondContact O-CB 3.14Å; K362-K366 PolarHBondContact O-N 2.96Å
363	D	92.8	Very high	93	Very high	32 Å²	32	41 Å²	41	17%	0.171	19%	0.187	C	C	.	.	H	α-helix	trans	-66.1	-44.6	175.9	-62.9	-22.1	0	0	0	110.9	H359 Q360 Q361 I365 K366 E367 Y421	H359-D363 PolarHBondContact O-N 3.12Å; H359-D363 VanDerWaalsContact O-N 3.13Å; Q360-D363 PolarHBondContact O-N 3.43Å; Q361-D363 VanDerWaalsContact C-N 3.29Å; Q361-D363 PolarHBondContact O-N 3.25Å; D363-I365 PolarHBondContact O-N 3.03Å; D363-K366 PolarHBondContact O-N 3.49Å; D363-K366 VanDerWaalsContact O-N 3.13Å; D363-E367 WeakPolarHBondContact O-CB 3.36Å; D363-E367 WeakPolarHBondContact O-CG 3.42Å; D363-E367 PolarHBondContact O-N 2.95Å; D363-Y421 VanDerWaalsContact CG-OH 3.26Å; D363-Y421 PolarHBondContact OD1-OH 3.09Å; D363-Y421 WeakPolarHBondContact OD2-CE2 3.37Å; D363-Y421 PolarHBondContact OD2-OH 2.89Å
364	I	94.7	Very high	93.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.2	-45.6	175.2	-67.1	165.9	0	0	0	111.5	Q360 Q361 K366 C368 R369 C370 Y372 L408 P412 L413	Q360-I364 HydrophobicContact CG-CD1 4.11Å; Q360-I364 VanDerWaalsContact O-CG1 3.26Å; Q360-I364 WeakPolarHBondContact O-CG1 3.38Å; Q360-I364 PolarHBondContact O-N 2.82Å; Q361-I364 PolarHBondContact O-N 3.44Å; I364-K366 VanDerWaalsContact C-N 3.31Å; I364-K366 PolarHBondContact O-N 3.25Å; I364-C368 HydrophobicContact CG2-CB 4.33Å; I364-C368 WeakPolarHBondContact O-CA 3.49Å; I364-C368 VanDerWaalsContact O-CB 3.29Å; I364-C368 WeakPolarHBondContact O-CB 3.28Å; I364-C368 PolarHBondContact O-N 3Å; I364-R369 PolarHBondContact O-N 3.41Å; I364-C370 WeakPolarHBondContact CG2-O 3.5Å; I364-Y372 HydrophobicContact CD1-CD1 4.46Å; I364-Y372 HydrophobicContact CD1-CG 4.29Å; I364-L408 HydrophobicContact CB-CD2 4.44Å; I364-L408 HydrophobicContact CD1-CD2 4.11Å; I364-L408 HydrophobicContact CG1-CD2 4.03Å; I364-L408 HydrophobicContact CG2-CD2 3.54Å; I364-P412 HydrophobicContact CD1-CB 4.44Å; I364-P412 HydrophobicContact CG1-CB 3.47Å; I364-P412 VanDerWaalsContact CG1-CB 3.47Å; I364-P412 HydrophobicContact CG1-CG 4.36Å; I364-L413 HydrophobicContact CD1-CD2 3.78Å
365	I	94.1	Very high	93.2	Very high	33 Å²	33	43.6 Å²	43.6	17%	0.169	19%	0.19	C	C	.	.	H	α-helix	trans	-63.4	-40.2	177.7	-71.3	169.3	0	0	0	110.7	Q361 K362 D363 R369 C370 Q371 P378 L385	Q361-I365 HydrophobicContact CG-CD1 3.85Å; Q361-I365 HydrophobicContact CG-CG1 4.3Å; Q361-I365 WeakPolarHBondContact O-CB 3.35Å; Q361-I365 VanDerWaalsContact O-CG1 3.28Å; Q361-I365 WeakPolarHBondContact O-CG1 3.26Å; Q361-I365 PolarHBondContact O-N 3.49Å; K362-I365 PolarHBondContact O-N 3.23Å; D363-I365 PolarHBondContact O-N 3.03Å; I365-R369 VanDerWaalsContact O-CA 3.29Å; I365-R369 WeakPolarHBondContact O-CA 3.44Å; I365-R369 PolarHBondContact O-N 2.9Å; I365-C370 WeakPolarHBondContact CG1-O 3.3Å; I365-Q371 HydrophobicContact CD1-CG 4Å; I365-Q371 HydrophobicContact CG1-CG 4.01Å; I365-P378 HydrophobicContact CD1-CG 3.51Å; I365-L385 HydrophobicContact CB-CD1 4.48Å; I365-L385 HydrophobicContact CD1-CD2 4.29Å; I365-L385 HydrophobicContact CG1-CD1 4.29Å; I365-L385 HydrophobicContact CG1-CD2 4.38Å; I365-L385 HydrophobicContact CG2-CD1 3.86Å; I365-L385 HydrophobicContact CG2-CD2 4.13Å
366	K	94	Very high	93.3	Very high	151 Å²	151	43.7 Å²	43.7	66%	0.657	19%	0.191	S	C	*	.	H	α-helix	trans	-69.7	-45	-178.5	-176.6	-175.4	174.5	-167.3	0	112.1	K362 D363 I364	K362-K366 VanDerWaalsContact O-CB 3.29Å; K362-K366 WeakPolarHBondContact O-CB 3.14Å; K362-K366 PolarHBondContact O-N 2.96Å; D363-K366 PolarHBondContact O-N 3.49Å; D363-K366 VanDerWaalsContact O-N 3.13Å; I364-K366 VanDerWaalsContact C-N 3.31Å; I364-K366 PolarHBondContact O-N 3.25Å
367	E	93.9	Very high	93.3	Very high	117 Å²	117	43.5 Å²	43.5	55%	0.547	19%	0.19	S	C	.	.	H	α-helix	trans	-88.6	-47.2	-173	-65.4	179.9	-162.4	0	0	112.3	D363 P412	D363-E367 WeakPolarHBondContact O-CB 3.36Å; D363-E367 WeakPolarHBondContact O-CG 3.42Å; D363-E367 PolarHBondContact O-N 2.95Å; E367-P412 WeakPolarHBondContact OE2-CG 3.33Å
368	C	93.6	Very high	93.1	Very high	11 Å²	11	43.7 Å²	43.7	7%	0.074	19%	0.193	C	C	.	.	H	α-helix	trans	-99	-7.7	-173.7	-52.7	0	0	0	0	114.3	I364 C370 C407	I364-C368 HydrophobicContact CG2-CB 4.33Å; I364-C368 WeakPolarHBondContact O-CA 3.49Å; I364-C368 VanDerWaalsContact O-CB 3.29Å; I364-C368 WeakPolarHBondContact O-CB 3.28Å; I364-C368 PolarHBondContact O-N 3Å; C368-C370 PolarHBondContact O-N 3.47Å; C368-C370 VanDerWaalsContact O-N 3.15Å; C368-C407 WeakPolarHBondContact CA-SG 2.98Å; C368-C407 HydrophobicContact CB-CB 3.76Å; C368-C407 WeakPolarHBondContact CB-SG 3.47Å; C368-C407 WeakPolarHBondContact SG-CB 3.48Å; C368-C407 CovalentContact SG-SG 2.04Å; C368-C407 PolarHBondContact SG-SG 2.96Å
369	R	93.2	Very high	93	Very high	180 Å²	180	47.1 Å²	47.1	68%	0.679	21%	0.21	S	C	*	.	S	Bend	trans	53.6	33.4	179.8	-58.6	-66.5	-175.5	164.9	2.5	113.4	I364 I365	I364-R369 PolarHBondContact O-N 3.41Å; I365-R369 VanDerWaalsContact O-CA 3.29Å; I365-R369 WeakPolarHBondContact O-CA 3.44Å; I365-R369 PolarHBondContact O-N 2.9Å
370	C	94.1	Very high	93.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-142	165.5	175.5	67.1	0	0	0	0	110.5	I364 I365 C368 P386 C388 R404	I364-C370 WeakPolarHBondContact CG2-O 3.5Å; I365-C370 WeakPolarHBondContact CG1-O 3.3Å; C368-C370 PolarHBondContact O-N 3.47Å; C368-C370 VanDerWaalsContact O-N 3.15Å; C370-P386 CarbonylContact C-O 3.54Å; C370-P386 VanDerWaalsContact CA-O 3.3Å; C370-P386 WeakPolarHBondContact CA-O 3.43Å; C370-C388 VanDerWaalsContact C-SG 3.59Å; C370-C388 HydrophobicContact CB-CB 3.89Å; C370-C388 WeakPolarHBondContact CB-SG 3.36Å; C370-C388 VanDerWaalsContact SG-CA 3.57Å; C370-C388 WeakPolarHBondContact SG-CB 3.15Å; C370-C388 CovalentContact SG-SG 2.04Å; C370-C388 PolarHBondContact SG-SG 2.97Å; C370-R404 HydrophobicContact CB-CG 4.37Å
371	Q	94.4	Very high	93	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-102.3	121.5	174.3	-70.5	-170.5	89.3	0	0	110.4	Q361 I365 Q379 L385 P386 Y387 C388	Q361-Q371 VanDerWaalsContact NE2-CA 3.31Å; Q361-Q371 VanDerWaalsContact NE2-CB 3.34Å; I365-Q371 HydrophobicContact CD1-CG 4Å; I365-Q371 HydrophobicContact CG1-CG 4.01Å; Q371-Q379 PolarHBondContact NE2-O 3.35Å; Q371-Q379 PolarHBondContact OE1-O 2.92Å; Q371-L385 HydrophobicContact CG-CD1 4.43Å; Q371-L385 HydrophobicContact CG-CD2 3.87Å; Q371-L385 HydrophobicContact CG-CG 3.94Å; Q371-P386 PolarHBondContact N-O 3.49Å; Q371-Y387 HydrophobicContact CB-CD1 3.86Å; Q371-Y387 HydrophobicContact CB-CE1 4.28Å; Q371-Y387 WeakPolarHBondContact O-CA 3.22Å; Q371-C388 PolarHBondContact O-N 2.86Å; Q371-C388 PolarHBondContact O-SG 2.82Å
372	Y	95.1	Very high	92.8	Very high	60 Å²	60	53.5 Å²	53.5	24%	0.235	24%	0.244	C	C	.	.			trans	-75.8	132.4	172.4	-170.9	-121	0	0	0	109.7	Q361 I364 Y374 N375 L408 L413	Q361-Y372 VanDerWaalsContact NE2-N 3.14Å; Q361-Y372 PolarHBondContact NE2-O 2.8Å; Q361-Y372 PolarHBondContact OE1-O 3.28Å; I364-Y372 HydrophobicContact CD1-CD1 4.46Å; I364-Y372 HydrophobicContact CD1-CG 4.29Å; Y372-Y374 AromaticContact CE1-CD2 3.75Å; Y372-Y374 HydrophobicContact CE1-CD2 3.75Å; Y372-Y374 HydrophobicContact CE1-CG 4.12Å; Y372-Y374 HydrophobicContact CE2-CD2 4.04Å; Y372-Y374 AromaticContact CZ-CD2 3.46Å; Y372-Y374 VanDerWaalsContact CZ-CD2 3.46Å; Y372-Y374 WeakPolarHBondContact OH-CD2 3.45Å; Y372-N375 HydrophobicContact CD1-CB 4.5Å; Y372-N375 PolarHBondContact O-N 3.49Å; Y372-L408 HydrophobicContact CD2-CD1 3.9Å; Y372-L408 HydrophobicContact CD2-CD2 4.34Å; Y372-L408 HydrophobicContact CE2-CD1 4.3Å; Y372-L413 HydrophobicContact CD1-CD2 4Å; Y372-L413 HydrophobicContact CE1-CD1 4.44Å; Y372-L413 HydrophobicContact CE1-CD2 3.94Å; Y372-L413 HydrophobicContact CE2-CD1 4.17Å; Y372-L413 HydrophobicContact CG-CD2 4.49Å
373	I	93.7	Very high	92.5	Very high	9 Å²	9	52.9 Å²	52.9	5%	0.046	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-27	-165	-168.2	62.1	0	0	0	113.9	Y164 Q165 H213 N375 Y387	Y164-I373 HydrophobicContact CD1-CD1 3.96Å; Y164-I373 HydrophobicContact CE1-CD1 3.87Å; Q165-I373 HydrophobicContact CG-CB 4.17Å; Q165-I373 HydrophobicContact CG-CD1 4.01Å; Q165-I373 HydrophobicContact CG-CG1 3.96Å; H213-I373 HydrophobicContact CB-CD1 3.96Å; H213-I373 HydrophobicContact CB-CG1 3.41Å; H213-I373 VanDerWaalsContact CB-CG1 3.41Å; I373-N375 VanDerWaalsContact C-N 3.31Å; I373-Y387 HydrophobicContact CD1-CD1 3.95Å; I373-Y387 HydrophobicContact CD1-CE1 3.74Å; I373-Y387 HydrophobicContact CD1-CE2 4.42Å; I373-Y387 HydrophobicContact CD1-CG 4.44Å
374	Y	92.4	Very high	92.2	Very high	100 Å²	100	58.3 Å²	58.3	39%	0.392	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-10	178.9	-64.5	-89.8	0	0	0	113.4	H213 E279 Y372	H213-Y374 AromaticContact CE1-CD1 3.87Å; H213-Y374 AromaticContact CE1-CE1 3.35Å; H213-Y374 WeakPolarHBondContact CE1-CE1 3.46Å; H213-Y374 AromaticContact CE1-CZ 3.77Å; H213-Y374 AromaticContact NE2-CD1 3.48Å; H213-Y374 WeakPolarHBondContact NE2-CD1 3.31Å; H213-Y374 AromaticContact NE2-CE1 3.48Å; H213-Y374 WeakPolarHBondContact NE2-CE1 3.41Å; E279-Y374 VanDerWaalsContact OE1-CD1 3.29Å; E279-Y374 WeakPolarHBondContact OE1-CD1 3.37Å; E279-Y374 WeakPolarHBondContact OE1-CE1 3.45Å; Y372-Y374 AromaticContact CE1-CD2 3.75Å; Y372-Y374 HydrophobicContact CE1-CD2 3.75Å; Y372-Y374 HydrophobicContact CE1-CG 4.12Å; Y372-Y374 HydrophobicContact CE2-CD2 4.04Å; Y372-Y374 AromaticContact CZ-CD2 3.46Å; Y372-Y374 VanDerWaalsContact CZ-CD2 3.46Å; Y372-Y374 WeakPolarHBondContact OH-CD2 3.45Å
375	N	93.4	Very high	92.1	Very high	7 Å²	7	59 Å²	59	4%	0.037	29%	0.285	C	S	.	.	S	Bend	trans	-100.1	156.9	176.4	-72	-1.9	0	0	0	110.5	L357 Q360 Q361 Y372 I373 R377	L357-N375 PolarHBondContact O-ND2 3.14Å; Q360-N375 PolarHBondContact OE1-ND2 3.29Å; Q361-N375 HydrophobicContact CB-CB 3.99Å; Q361-N375 HydrophobicContact CG-CB 4.39Å; Y372-N375 HydrophobicContact CD1-CB 4.5Å; Y372-N375 PolarHBondContact O-N 3.49Å; I373-N375 VanDerWaalsContact C-N 3.31Å; N375-R377 PolarHBondContact O-N 2.89Å
376	P	92.6	Very high	92	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.019	28%	0.284	C	S	.	.			trans	-56	130.7	174.9	-26.9	36.8	0	0	0	111.7	D343 L357 F358 Q361 P378	D343-P376 HydrophobicContact CB-CB 4.25Å; L357-P376 HydrophobicContact CB-CG 4.29Å; F358-P376 HydrophobicContact CD2-CB 4.38Å; Q361-P376 WeakPolarHBondContact CG-O 3.42Å; P376-P378 VanDerWaalsContact O-CD 3.26Å; P376-P378 WeakPolarHBondContact O-CD 3.15Å
377	R	92.8	Very high	92	Very high	6 Å²	6	51.3 Å²	51.3	2%	0.023	25%	0.253	C	S	.	.			trans	-95.4	105.5	-174.4	-61.9	156	-68.5	-175.7	-1.5	109.6	Y164 S211 D343 L344 N375 Q379 Y387	Y164-R377 PolarHBondContact OH-NH1 3.39Å; S211-R377 PolarHBondContact O-NH2 3.43Å; D343-R377 CarbonylContact C-O 2.95Å; D343-R377 WeakPolarHBondContact CA-O 3.47Å; D343-R377 WeakPolarHBondContact OD1-CB 3.34Å; D343-R377 IonicContact OD1-CZ 3.35Å; D343-R377 PolarHBondContact OD1-N 2.92Å; D343-R377 IonicContact OD1-NE 2.97Å; D343-R377 PolarHBondContact OD1-NE 3.41Å; D343-R377 IonicContact OD1-NH2 3.32Å; D343-R377 PolarHBondContact OD1-NH2 3.42Å; D343-R377 IonicContact OD2-CZ 2.86Å; D343-R377 IonicContact OD2-NE 2.94Å; D343-R377 IonicContact OD2-NH2 3.18Å; D343-R377 PolarHBondContact OD2-NH2 2.85Å; L344-R377 VanDerWaalsContact CD1-CZ 3.48Å; L344-R377 HydrophobicContact CD2-CB 3.71Å; L344-R377 HydrophobicContact CG-CB 4.17Å; L344-R377 PolarHBondContact N-O 3.19Å; N375-R377 PolarHBondContact O-N 2.89Å; R377-Q379 PolarHBondContact O-N 3.4Å; R377-Q379 VanDerWaalsContact O-N 3.11Å; R377-Y387 VanDerWaalsContact CD-CE1 3.49Å; R377-Y387 WeakPolarHBondContact CD-OH 3.47Å; R377-Y387 HydrophobicContact CG-CE1 4Å
378	P	89.4	Confident	91.9	Very high	42 Å²	42	46 Å²	46	27%	0.273	23%	0.229	S	C	.	.	S	Bend	trans	-63.7	-20.3	-176.2	23.5	-34.5	0	0	0	114.3	F358 I365 P376	F358-P378 HydrophobicContact CE2-CB 4.07Å; I365-P378 HydrophobicContact CD1-CG 3.51Å; P376-P378 VanDerWaalsContact O-CD 3.26Å; P376-P378 WeakPolarHBondContact O-CD 3.15Å
379	Q	90	Very high	91.8	Very high	96 Å²	96	45.7 Å²	45.7	45%	0.449	23%	0.227	S	C	.	.	S	Bend	trans	-150.2	158.6	-178.9	60.5	-177.7	72.4	0	0	111.5	Q371 R377 L385	Q371-Q379 PolarHBondContact NE2-O 3.35Å; Q371-Q379 PolarHBondContact OE1-O 2.92Å; R377-Q379 PolarHBondContact O-N 3.4Å; R377-Q379 VanDerWaalsContact O-N 3.11Å; Q379-L385 HydrophobicContact CG-CD2 3.85Å
380	Y	91.5	Very high	91.6	Very high	92 Å²	92	37.5 Å²	37.5	36%	0.361	20%	0.197	S	C	.	.			trans	-59.7	143.9	171.2	-71.5	-73.4	0	0	0	111.3	A169 Y173 L344 N345	A169-Y380 HydrophobicContact CB-CD1 3.44Å; A169-Y380 VanDerWaalsContact CB-CD1 3.44Å; A169-Y380 HydrophobicContact CB-CE1 3.89Å; A169-Y380 HydrophobicContact CB-CG 4.42Å; Y173-Y380 HydrophobicContact CE2-CE1 4.32Å; L344-Y380 HydrophobicContact CB-CD1 4.46Å; L344-Y380 HydrophobicContact CB-CE1 3.98Å; L344-Y380 HydrophobicContact CD1-CD1 4.42Å; L344-Y380 HydrophobicContact CD1-CE1 4.07Å; L344-Y380 HydrophobicContact CD2-CD1 3.82Å; L344-Y380 HydrophobicContact CD2-CE1 4.15Å; L344-Y380 HydrophobicContact CD2-CG 4.35Å; L344-Y380 HydrophobicContact CG-CD1 4.48Å; L344-Y380 HydrophobicContact CG-CE1 4.31Å; N345-Y380 HydrophobicContact CB-CE2 4.31Å; N345-Y380 VanDerWaalsContact CB-OH 3.26Å; N345-Y380 WeakPolarHBondContact CB-OH 3.4Å; N345-Y380 PolarHBondContact ND2-OH 2.75Å; N345-Y380 PolarHBondContact OD1-OH 3.5Å
381	P	91.7	Very high	91.1	Very high	34 Å²	34	38 Å²	38	22%	0.221	20%	0.2	C	C	.	.			trans	-61.3	145.5	175.6	30.9	-39.3	0	0	0	110.2	L385 Y387	P381-L385 WeakPolarHBondContact CA-O 3.18Å; P381-Y387 HydrophobicContact CB-CD2 3.92Å; P381-Y387 HydrophobicContact CB-CE1 4.49Å; P381-Y387 HydrophobicContact CB-CE2 3.79Å; P381-Y387 HydrophobicContact CB-CG 4.4Å; P381-Y387 HydrophobicContact CG-CD2 4.07Å; P381-Y387 HydrophobicContact CG-CE2 3.47Å; P381-Y387 VanDerWaalsContact CG-CE2 3.47Å
382	S	89.3	Confident	90.2	Very high	47 Å²	47	40.9 Å²	40.9	33%	0.329	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-143.6	167.7	175.3	63.2	0	0	0	0	108.9	N384 L385 P386	S382-N384 PolarHBondContact O-N 3.09Å; S382-N384 VanDerWaalsContact O-N 3.1Å; S382-L385 PolarHBondContact N-O 2.99Å; S382-L385 VanDerWaalsContact N-O 3.15Å; S382-L385 CarbonylContact O-C 3.57Å; S382-L385 PolarHBondContact O-N 3.16Å; S382-L385 PolarHBondContact OG-N 2.84Å; S382-P386 WeakPolarHBondContact O-CA 3.07Å
383	S	85	Confident	88.7	Confident	90 Å²	90	43.9 Å²	43.9	63%	0.629	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-32.2	177.1	53.8	0	0	0	0	113.9	E393	S383-E393 WeakPolarHBondContact CA-OE2 2.99Å
384	N	88.3	Confident	87.1	Confident	146 Å²	146	46.6 Å²	46.6	78%	0.781	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-18.7	177.9	-67.1	-23.4	0	0	0	113.8	S382	S382-N384 PolarHBondContact O-N 3.09Å; S382-N384 VanDerWaalsContact O-N 3.1Å
385	L	91.6	Very high	85.5	Confident	14 Å²	14	49.5 Å²	49.5	7%	0.073	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-144.7	74.1	178.3	-172.1	68.5	0	0	0	109.3	I365 Q371 Q379 P381 S382	I365-L385 HydrophobicContact CB-CD1 4.48Å; I365-L385 HydrophobicContact CD1-CD2 4.29Å; I365-L385 HydrophobicContact CG1-CD1 4.29Å; I365-L385 HydrophobicContact CG1-CD2 4.38Å; I365-L385 HydrophobicContact CG2-CD1 3.86Å; I365-L385 HydrophobicContact CG2-CD2 4.13Å; Q371-L385 HydrophobicContact CG-CD1 4.43Å; Q371-L385 HydrophobicContact CG-CD2 3.87Å; Q371-L385 HydrophobicContact CG-CG 3.94Å; Q379-L385 HydrophobicContact CG-CD2 3.85Å; P381-L385 WeakPolarHBondContact CA-O 3.18Å; S382-L385 PolarHBondContact N-O 2.99Å; S382-L385 VanDerWaalsContact N-O 3.15Å; S382-L385 CarbonylContact O-C 3.57Å; S382-L385 PolarHBondContact O-N 3.16Å; S382-L385 PolarHBondContact OG-N 2.84Å
386	P	92.3	Very high	84.3	Confident	20 Å²	20	51.6 Å²	51.6	13%	0.13	29%	0.292	C	S	.	.			trans	-76.6	171.8	-179.3	33	-36.4	0	0	0	110.2	C370 Q371 S382	C370-P386 CarbonylContact C-O 3.54Å; C370-P386 VanDerWaalsContact CA-O 3.3Å; C370-P386 WeakPolarHBondContact CA-O 3.43Å; Q371-P386 PolarHBondContact N-O 3.49Å; S382-P386 WeakPolarHBondContact O-CA 3.07Å
387	Y	93.9	Very high	83.4	Confident	4 Å²	4	55.7 Å²	55.7	2%	0.016	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-65.7	152.7	162.5	-66.6	-59.3	0	0	0	110.8	Y164 Q165 Q371 I373 R377 P381 G389 S390 R404	Y164-Y387 HydrophobicContact CE1-CE2 4.32Å; Q165-Y387 HydrophobicContact CB-CD2 3.95Å; Q165-Y387 HydrophobicContact CB-CG 4.17Å; Q165-Y387 HydrophobicContact CG-CD2 3.99Å; Q165-Y387 HydrophobicContact CG-CG 3.9Å; Q371-Y387 HydrophobicContact CB-CD1 3.86Å; Q371-Y387 HydrophobicContact CB-CE1 4.28Å; Q371-Y387 WeakPolarHBondContact O-CA 3.22Å; I373-Y387 HydrophobicContact CD1-CD1 3.95Å; I373-Y387 HydrophobicContact CD1-CE1 3.74Å; I373-Y387 HydrophobicContact CD1-CE2 4.42Å; I373-Y387 HydrophobicContact CD1-CG 4.44Å; R377-Y387 VanDerWaalsContact CD-CE1 3.49Å; R377-Y387 WeakPolarHBondContact CD-OH 3.47Å; R377-Y387 HydrophobicContact CG-CE1 4Å; P381-Y387 HydrophobicContact CB-CD2 3.92Å; P381-Y387 HydrophobicContact CB-CE1 4.49Å; P381-Y387 HydrophobicContact CB-CE2 3.79Å; P381-Y387 HydrophobicContact CB-CG 4.4Å; P381-Y387 HydrophobicContact CG-CD2 4.07Å; P381-Y387 HydrophobicContact CG-CE2 3.47Å; P381-Y387 VanDerWaalsContact CG-CE2 3.47Å; Y387-G389 PolarHBondContact O-N 3.2Å; Y387-S390 WeakPolarHBondContact O-CB 3.49Å; Y387-S390 PolarHBondContact O-N 3.17Å; Y387-S390 VanDerWaalsContact O-N 3.09Å; Y387-R404 PolarHBondContact O-NH1 2.71Å
388	C	92.5	Very high	82.7	Confident	6 Å²	6	57.9 Å²	57.9	4%	0.041	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-28.5	-178.6	-59.4	0	0	0	0	112.9	C370 Q371 L408	C370-C388 VanDerWaalsContact C-SG 3.59Å; C370-C388 HydrophobicContact CB-CB 3.89Å; C370-C388 WeakPolarHBondContact CB-SG 3.36Å; C370-C388 VanDerWaalsContact SG-CA 3.57Å; C370-C388 WeakPolarHBondContact SG-CB 3.15Å; C370-C388 CovalentContact SG-SG 2.04Å; C370-C388 PolarHBondContact SG-SG 2.97Å; Q371-C388 PolarHBondContact O-N 2.86Å; Q371-C388 PolarHBondContact O-SG 2.82Å; C388-L408 HydrophobicContact CB-CD1 3.68Å
389	G	89.9	Confident	82.2	Confident	3 Å²	3	62.3 Å²	62.3	3%	0.031	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	20	172.6	0	0	0	0	0	114.9	Q165 N166 Y387 I391	Q165-G389 VanDerWaalsContact OE1-CA 3.25Å; N166-G389 PolarHBondContact ND2-O 2.87Å; N166-G389 VanDerWaalsContact ND2-O 3.14Å; Y387-G389 PolarHBondContact O-N 3.2Å; G389-I391 WeakPolarHBondContact O-CG1 3.39Å
390	S	89.5	Confident	81.9	Confident	8 Å²	8	59.4 Å²	59.4	6%	0.056	34%	0.338	C	S	.	.			trans	-79.8	129.4	172.4	-178.1	0	0	0	0	110.4	Y387 R404	Y387-S390 WeakPolarHBondContact O-CB 3.49Å; Y387-S390 PolarHBondContact O-N 3.17Å; Y387-S390 VanDerWaalsContact O-N 3.09Å; S390-R404 PolarHBondContact O-NH1 3.27Å; S390-R404 PolarHBondContact O-NH2 3.28Å
391	I	83.8	Confident	81.6	Confident	12 Å²	12	55.2 Å²	55.2	6%	0.062	32%	0.322	C	S	.	.			trans	-133.2	-26.3	-165.4	-57	167.4	0	0	0	112.4	M135 Y157 T162 N166 G389 F396 L401	M135-I391 HydrophobicContact CE-CD1 4.26Å; M135-I391 HydrophobicContact SD-CD1 4.41Å; Y157-I391 HydrophobicContact CD1-CD1 3.86Å; Y157-I391 HydrophobicContact CG-CD1 4.22Å; T162-I391 HydrophobicContact CG2-CD1 3.94Å; N166-I391 PolarHBondContact OD1-N 3.18Å; G389-I391 WeakPolarHBondContact O-CG1 3.39Å; I391-F396 HydrophobicContact CB-CE2 4.48Å; I391-F396 HydrophobicContact CG2-CD2 3.24Å; I391-F396 HydrophobicContact CG2-CE2 3Å; I391-F396 HydrophobicContact CG2-CZ 4.15Å; I391-L401 HydrophobicContact CD1-CD1 4.42Å; I391-L401 HydrophobicContact CD1-CD2 3.84Å; I391-L401 HydrophobicContact CG1-CD1 4.02Å; I391-L401 HydrophobicContact CG1-CD2 3.94Å; I391-L401 HydrophobicContact CG1-CG 4.49Å
392	L	75.9	Confident	81.2	Confident	60 Å²	60	55.8 Å²	55.8	31%	0.314	33%	0.33	S	S	.	.			trans	-90.5	-1.9	-174	-67.5	179.1	0	0	0	115	M126 F131 N166 G394	M126-L392 HydrophobicContact CE-CD1 3.57Å; M126-L392 HydrophobicContact SD-CD1 3.64Å; F131-L392 HydrophobicContact CD2-CD1 3.7Å; F131-L392 HydrophobicContact CE2-CD1 3.86Å; F131-L392 HydrophobicContact CE2-CG 4.39Å; N166-L392 HydrophobicContact CB-CD1 4.09Å; N166-L392 HydrophobicContact CB-CG 4.42Å; N166-L392 PolarHBondContact OD1-N 3.19Å; L392-G394 PolarHBondContact O-N 3.27Å
393	E	63.9	Low	81.1	Confident	123 Å²	123	60.9 Å²	60.9	58%	0.575	35%	0.346	S	S	*	.	S	Bend	trans	-81.9	97.6	175.9	-74.5	-168.5	167	0	0	110.8	S383	S383-E393 WeakPolarHBondContact CA-OE2 2.99Å
394	G	59.8	Low	81.3	Confident	65 Å²	65	58.3 Å²	58.3	67%	0.67	32%	0.323	S	S	*	.	S	Bend	trans	101.2	-164.4	176	0	0	0	0	0	113.7	L392 F396	L392-G394 PolarHBondContact O-N 3.27Å; G394-F396 PolarHBondContact O-N 3.12Å
395	D	58.1	Low	81.2	Confident	162 Å²	162	53.2 Å²	53.2	87%	0.866	30%	0.295	S	S	*	.	S	Bend	trans	-61.3	127.6	166.2	-79.3	-27.2	0	0	0	107.9	D397	D395-D397 PolarHBondContact O-N 3.34Å
396	F	68	Low	81.1	Confident	51 Å²	51	59 Å²	59	22%	0.224	32%	0.322	C	S	.	.			trans	-54.8	97.8	-178	177.8	-104.8	0	0	0	110.7	L138 F142 L154 I391 G394 I398	L138-F396 HydrophobicContact CB-CE1 4.49Å; L138-F396 HydrophobicContact CB-CZ 4.25Å; L138-F396 HydrophobicContact CD1-CD1 4.47Å; L138-F396 HydrophobicContact CD1-CD2 3.86Å; L138-F396 HydrophobicContact CD1-CE1 3.91Å; L138-F396 HydrophobicContact CD1-CE2 3.22Å; L138-F396 HydrophobicContact CD1-CG 4.45Å; L138-F396 HydrophobicContact CD1-CZ 3.33Å; L138-F396 HydrophobicContact CD2-CD1 3.78Å; L138-F396 HydrophobicContact CD2-CE1 3.48Å; L138-F396 VanDerWaalsContact CD2-CE1 3.48Å; L138-F396 HydrophobicContact CD2-CE2 4.3Å; L138-F396 HydrophobicContact CD2-CG 4.32Å; L138-F396 HydrophobicContact CD2-CZ 3.85Å; L138-F396 HydrophobicContact CG-CE1 4.14Å; L138-F396 HydrophobicContact CG-CE2 4.29Å; L138-F396 HydrophobicContact CG-CZ 3.99Å; F142-F396 HydrophobicContact CE2-CE1 4.15Å; L154-F396 HydrophobicContact CD1-CZ 4.4Å; L154-F396 HydrophobicContact CD2-CZ 4.14Å; I391-F396 HydrophobicContact CB-CE2 4.48Å; I391-F396 HydrophobicContact CG2-CD2 3.24Å; I391-F396 HydrophobicContact CG2-CE2 3Å; I391-F396 HydrophobicContact CG2-CZ 4.15Å; G394-F396 PolarHBondContact O-N 3.12Å; F396-I398 HydrophobicContact CD1-CD1 3.3Å; F396-I398 HydrophobicContact CD1-CG1 3.54Å; F396-I398 HydrophobicContact CE1-CB 4.46Å; F396-I398 HydrophobicContact CE1-CD1 3.17Å; F396-I398 HydrophobicContact CE1-CG1 3Å; F396-I398 HydrophobicContact CG-CD1 4.5Å; F396-I398 HydrophobicContact CZ-CD1 4.25Å; F396-I398 HydrophobicContact CZ-CG1 3.61Å; F396-I398 PolarHBondContact O-N 2.86Å
397	D	74.5	Confident	81.2	Confident	89 Å²	89	59.3 Å²	59.3	48%	0.476	32%	0.324	S	S	.	.			trans	-98.8	88.4	-178.5	-172	-8	0	0	0	109.6	D395 L399 A400 L401	D395-D397 PolarHBondContact O-N 3.34Å; D397-L399 PolarHBondContact O-N 3.44Å; D397-L399 WeakPolarHBondContact OD1-CA 3.19Å; D397-L399 VanDerWaalsContact OD1-CB 3.23Å; D397-L399 WeakPolarHBondContact OD1-CB 3.45Å; D397-L399 PolarHBondContact OD1-N 2.86Å; D397-A400 HydrophobicContact CB-CB 3.82Å; D397-A400 VanDerWaalsContact CG-CB 3.49Å; D397-A400 WeakPolarHBondContact O-CB 3.49Å; D397-A400 PolarHBondContact O-N 3.11Å; D397-A400 VanDerWaalsContact O-N 3.09Å; D397-A400 PolarHBondContact OD1-N 3.14Å; D397-A400 WeakPolarHBondContact OD2-CB 3.12Å; D397-L401 PolarHBondContact O-N 3.46Å; D397-L401 VanDerWaalsContact O-N 3.08Å
398	I	77.5	Confident	81.1	Confident	51 Å²	51	59.8 Å²	59.8	26%	0.262	33%	0.327	S	S	.	.	H	α-helix	trans	-57.7	-35.1	174.6	-57.9	108.5	0	0	0	110.9	F142 F396 A400 L401 A402	F142-I398 HydrophobicContact CE2-CD1 3.79Å; F142-I398 HydrophobicContact CE2-CG1 3.7Å; F142-I398 HydrophobicContact CE2-CG2 4.48Å; F142-I398 HydrophobicContact CZ-CB 4.04Å; F142-I398 HydrophobicContact CZ-CD1 3.34Å; F142-I398 HydrophobicContact CZ-CG1 3.41Å; F142-I398 VanDerWaalsContact CZ-CG1 3.41Å; F142-I398 HydrophobicContact CZ-CG2 3.84Å; F396-I398 HydrophobicContact CD1-CD1 3.3Å; F396-I398 HydrophobicContact CD1-CG1 3.54Å; F396-I398 HydrophobicContact CE1-CB 4.46Å; F396-I398 HydrophobicContact CE1-CD1 3.17Å; F396-I398 HydrophobicContact CE1-CG1 3Å; F396-I398 HydrophobicContact CG-CD1 4.5Å; F396-I398 HydrophobicContact CZ-CD1 4.25Å; F396-I398 HydrophobicContact CZ-CG1 3.61Å; F396-I398 PolarHBondContact O-N 2.86Å; I398-A400 VanDerWaalsContact C-N 3.29Å; I398-A400 PolarHBondContact O-N 3.31Å; I398-L401 PolarHBondContact O-N 3.46Å; I398-A402 VanDerWaalsContact O-CB 3.31Å; I398-A402 WeakPolarHBondContact O-CB 3Å; I398-A402 PolarHBondContact O-N 3.22Å
399	L	79.1	Confident	80.8	Confident	136 Å²	136	64.6 Å²	64.6	71%	0.712	36%	0.356	S	S	*	.	H	α-helix	trans	-65.1	-38.6	179.2	-172.5	68.6	0	0	0	110	D397 K403	D397-L399 PolarHBondContact O-N 3.44Å; D397-L399 WeakPolarHBondContact OD1-CA 3.19Å; D397-L399 VanDerWaalsContact OD1-CB 3.23Å; D397-L399 WeakPolarHBondContact OD1-CB 3.45Å; D397-L399 PolarHBondContact OD1-N 2.86Å; L399-K403 WeakPolarHBondContact O-CB 3.45Å; L399-K403 PolarHBondContact O-N 2.92Å
400	A	83.4	Confident	80.6	Confident	34 Å²	34	69 Å²	69	28%	0.281	39%	0.386	S	S	.	.	H	α-helix	trans	-66.7	-37	173.2	0	0	0	0	0	113.1	D397 I398 R404	D397-A400 HydrophobicContact CB-CB 3.82Å; D397-A400 VanDerWaalsContact CG-CB 3.49Å; D397-A400 WeakPolarHBondContact O-CB 3.49Å; D397-A400 PolarHBondContact O-N 3.11Å; D397-A400 VanDerWaalsContact O-N 3.09Å; D397-A400 PolarHBondContact OD1-N 3.14Å; D397-A400 WeakPolarHBondContact OD2-CB 3.12Å; I398-A400 VanDerWaalsContact C-N 3.29Å; I398-A400 PolarHBondContact O-N 3.31Å; A400-R404 WeakPolarHBondContact O-CG 3.21Å; A400-R404 PolarHBondContact O-N 2.79Å; A400-R404 PolarHBondContact O-NE 2.73Å; A400-R404 VanDerWaalsContact O-NE 3.11Å
401	L	85.6	Confident	80.4	Confident	4 Å²	4	69.7 Å²	69.7	2%	0.021	40%	0.395	C	S	.	.	H	α-helix	trans	-64.8	-53.6	172.2	178.7	63.3	0	0	0	110.9	L154 Y157 I391 D397 I398 K403 R404 I405	L154-L401 HydrophobicContact CD2-CD2 3.99Å; Y157-L401 HydrophobicContact CE1-CD1 4.14Å; I391-L401 HydrophobicContact CD1-CD1 4.42Å; I391-L401 HydrophobicContact CD1-CD2 3.84Å; I391-L401 HydrophobicContact CG1-CD1 4.02Å; I391-L401 HydrophobicContact CG1-CD2 3.94Å; I391-L401 HydrophobicContact CG1-CG 4.49Å; D397-L401 PolarHBondContact O-N 3.46Å; D397-L401 VanDerWaalsContact O-N 3.08Å; I398-L401 PolarHBondContact O-N 3.46Å; L401-K403 VanDerWaalsContact C-N 3.28Å; L401-K403 PolarHBondContact O-N 3.12Å; L401-R404 WeakPolarHBondContact O-CB 3.46Å; L401-R404 PolarHBondContact O-N 3.06Å; L401-I405 HydrophobicContact CD1-CD1 4.1Å; L401-I405 HydrophobicContact CD1-CG1 4.33Å; L401-I405 HydrophobicContact CD2-CD1 4.48Å; L401-I405 HydrophobicContact CG-CD1 3.84Å; L401-I405 HydrophobicContact CG-CG1 4.48Å; L401-I405 WeakPolarHBondContact O-CG1 3.49Å; L401-I405 PolarHBondContact O-N 2.93Å
402	A	83.6	Confident	80.5	Confident	46 Å²	46	69.3 Å²	69.3	38%	0.38	39%	0.393	S	S	.	.	H	α-helix	trans	-56.4	-42.3	179.6	0	0	0	0	0	111.7	I398 R404 I405 Q406	I398-A402 VanDerWaalsContact O-CB 3.31Å; I398-A402 WeakPolarHBondContact O-CB 3Å; I398-A402 PolarHBondContact O-N 3.22Å; A402-R404 PolarHBondContact O-N 3.05Å; A402-I405 PolarHBondContact O-N 3.33Å; A402-Q406 VanDerWaalsContact O-CB 3.27Å; A402-Q406 WeakPolarHBondContact O-CB 3.42Å; A402-Q406 PolarHBondContact O-N 3.41Å
403	K	87.1	Confident	81.1	Confident	154 Å²	154	68.9 Å²	68.9	67%	0.67	39%	0.391	S	S	*	.	H	α-helix	trans	-62	-39.9	175.9	-176.2	175.3	177.6	178.7	0	112.8	L399 L401 C407	L399-K403 WeakPolarHBondContact O-CB 3.45Å; L399-K403 PolarHBondContact O-N 2.92Å; L401-K403 VanDerWaalsContact C-N 3.28Å; L401-K403 PolarHBondContact O-N 3.12Å; K403-C407 WeakPolarHBondContact O-CB 3.16Å; K403-C407 PolarHBondContact O-N 2.98Å
404	R	89.2	Confident	82.3	Confident	37 Å²	37	67.2 Å²	67.2	14%	0.14	39%	0.386	C	S	.	.	H	α-helix	trans	-67.4	-43.8	175.9	-77.3	177.8	-72.2	170.9	-2.2	111.4	C370 Y387 S390 A400 L401 A402 C407 L408	C370-R404 HydrophobicContact CB-CG 4.37Å; Y387-R404 PolarHBondContact O-NH1 2.71Å; S390-R404 PolarHBondContact O-NH1 3.27Å; S390-R404 PolarHBondContact O-NH2 3.28Å; A400-R404 WeakPolarHBondContact O-CG 3.21Å; A400-R404 PolarHBondContact O-N 2.79Å; A400-R404 PolarHBondContact O-NE 2.73Å; A400-R404 VanDerWaalsContact O-NE 3.11Å; L401-R404 WeakPolarHBondContact O-CB 3.46Å; L401-R404 PolarHBondContact O-N 3.06Å; A402-R404 PolarHBondContact O-N 3.05Å; R404-C407 WeakPolarHBondContact O-CB 3.11Å; R404-C407 PolarHBondContact O-N 2.73Å; R404-L408 WeakPolarHBondContact O-CG 3.31Å; R404-L408 PolarHBondContact O-N 3.48Å
405	I	86.9	Confident	83.6	Confident	39 Å²	39	69.4 Å²	69.4	20%	0.2	39%	0.386	C	S	.	.	H	α-helix	trans	-61.7	-50	177.2	-62.9	167.5	0	0	0	110.4	T153 Y157 L401 A402 C407 L408 T409	T153-I405 HydrophobicContact CG2-CD1 4.04Å; Y157-I405 HydrophobicContact CE2-CD1 3.78Å; Y157-I405 WeakPolarHBondContact OH-CD1 3.27Å; Y157-I405 WeakPolarHBondContact OH-CG1 3.12Å; L401-I405 HydrophobicContact CD1-CD1 4.1Å; L401-I405 HydrophobicContact CD1-CG1 4.33Å; L401-I405 HydrophobicContact CD2-CD1 4.48Å; L401-I405 HydrophobicContact CG-CD1 3.84Å; L401-I405 HydrophobicContact CG-CG1 4.48Å; L401-I405 WeakPolarHBondContact O-CG1 3.49Å; L401-I405 PolarHBondContact O-N 2.93Å; A402-I405 PolarHBondContact O-N 3.33Å; I405-C407 VanDerWaalsContact C-N 3.26Å; I405-C407 PolarHBondContact O-N 3.07Å; I405-L408 WeakPolarHBondContact O-CB 3.39Å; I405-L408 PolarHBondContact O-N 2.84Å; I405-L408 VanDerWaalsContact O-N 3.11Å; I405-T409 HydrophobicContact CG2-CG2 4.42Å; I405-T409 PolarHBondContact O-N 2.82Å; I405-T409 PolarHBondContact O-OG1 2.71Å
406	Q	89.8	Confident	85.1	Confident	136 Å²	136	65.8 Å²	65.8	64%	0.636	37%	0.37	S	S	*	.	H	α-helix	trans	-58	-41.3	178	-173.1	-178.5	14.9	0	0	111	A402 T409 S410	A402-Q406 VanDerWaalsContact O-CB 3.27Å; A402-Q406 WeakPolarHBondContact O-CB 3.42Å; A402-Q406 PolarHBondContact O-N 3.41Å; Q406-T409 PolarHBondContact O-OG1 2.9Å; Q406-S410 WeakPolarHBondContact O-CB 3.35Å; Q406-S410 PolarHBondContact O-N 2.03Å; Q406-S410 PolarHBondContact O-OG 2.95Å; Q406-S410 VanDerWaalsContact O-OG 3.09Å
407	C	92.9	Very high	86	Confident	26 Å²	26	64.6 Å²	64.6	18%	0.176	37%	0.367	C	S	.	.	H	α-helix	trans	-60.7	-47.9	175.3	-176.3	0	0	0	0	111.7	C368 K403 R404 I405 T409 S410 P412	C368-C407 WeakPolarHBondContact CA-SG 2.98Å; C368-C407 HydrophobicContact CB-CB 3.76Å; C368-C407 WeakPolarHBondContact CB-SG 3.47Å; C368-C407 WeakPolarHBondContact SG-CB 3.48Å; C368-C407 CovalentContact SG-SG 2.04Å; C368-C407 PolarHBondContact SG-SG 2.96Å; K403-C407 WeakPolarHBondContact O-CB 3.16Å; K403-C407 PolarHBondContact O-N 2.98Å; R404-C407 WeakPolarHBondContact O-CB 3.11Å; R404-C407 PolarHBondContact O-N 2.73Å; I405-C407 VanDerWaalsContact C-N 3.26Å; I405-C407 PolarHBondContact O-N 3.07Å; C407-T409 PolarHBondContact O-N 3.38Å; C407-S410 PolarHBondContact O-N 2.86Å; C407-S410 PolarHBondContact O-OG 2.89Å; C407-P412 WeakPolarHBondContact O-CD 3.43Å
408	L	92.1	Very high	86.6	Confident	14 Å²	14	63.6 Å²	63.6	7%	0.073	36%	0.358	C	S	.	.	H	α-helix	trans	-59.4	-46.8	178.9	-72.9	175.8	0	0	0	112.9	I364 Y372 C388 R404 I405 L413	I364-L408 HydrophobicContact CB-CD2 4.44Å; I364-L408 HydrophobicContact CD1-CD2 4.11Å; I364-L408 HydrophobicContact CG1-CD2 4.03Å; I364-L408 HydrophobicContact CG2-CD2 3.54Å; Y372-L408 HydrophobicContact CD2-CD1 3.9Å; Y372-L408 HydrophobicContact CD2-CD2 4.34Å; Y372-L408 HydrophobicContact CE2-CD1 4.3Å; C388-L408 HydrophobicContact CB-CD1 3.68Å; R404-L408 WeakPolarHBondContact O-CG 3.31Å; R404-L408 PolarHBondContact O-N 3.48Å; I405-L408 WeakPolarHBondContact O-CB 3.39Å; I405-L408 PolarHBondContact O-N 2.84Å; I405-L408 VanDerWaalsContact O-N 3.11Å; L408-L413 HydrophobicContact CB-CD1 3.88Å; L408-L413 HydrophobicContact CB-CG 4.42Å; L408-L413 HydrophobicContact CD2-CD1 4.3Å; L408-L413 HydrophobicContact CD2-CG 4.39Å; L408-L413 WeakPolarHBondContact O-CB 3.32Å; L408-L413 PolarHBondContact O-N 3.22Å
409	T	87	Confident	87.1	Confident	107 Å²	107	63.9 Å²	63.9	66%	0.656	37%	0.365	S	S	*	.	H	α-helix	trans	-74.2	-26.8	-177.8	56.6	0	0	0	0	112.6	I405 Q406 C407 G411	I405-T409 HydrophobicContact CG2-CG2 4.42Å; I405-T409 PolarHBondContact O-N 2.82Å; I405-T409 PolarHBondContact O-OG1 2.71Å; Q406-T409 PolarHBondContact O-OG1 2.9Å; C407-T409 PolarHBondContact O-N 3.38Å; T409-G411 VanDerWaalsContact C-N 3.34Å; T409-G411 PolarHBondContact O-N 3Å
410	S	86	Confident	87.7	Confident	94 Å²	94	63 Å²	63	66%	0.657	36%	0.357	S	S	*	.	H	α-helix	trans	-71.6	-20.5	-177.4	67.7	0	0	0	0	115.2	Q406 C407	Q406-S410 WeakPolarHBondContact O-CB 3.35Å; Q406-S410 PolarHBondContact O-N 2.03Å; Q406-S410 PolarHBondContact O-OG 2.95Å; Q406-S410 VanDerWaalsContact O-OG 3.09Å; C407-S410 PolarHBondContact O-N 2.86Å; C407-S410 PolarHBondContact O-OG 2.89Å
411	G	84.5	Confident	88	Confident	23 Å²	23	63 Å²	63	24%	0.237	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-165.9	-65.4	-172.4	0	0	0	0	0	116.3	T409 L413 N414	T409-G411 VanDerWaalsContact C-N 3.34Å; T409-G411 PolarHBondContact O-N 3Å; G411-L413 PolarHBondContact O-N 3.39Å; G411-N414 WeakPolarHBondContact O-CB 3.45Å; G411-N414 PolarHBondContact O-N 2.76Å
412	P	86.4	Confident	88.1	Confident	4 Å²	4	67.1 Å²	67.1	3%	0.026	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-26.7	-165.2	-27.2	35.2	0	0	0	114.5	Q360 I364 E367 C407	Q360-P412 WeakPolarHBondContact CG-O 3.4Å; Q360-P412 PolarHBondContact NE2-O 3.12Å; I364-P412 HydrophobicContact CD1-CB 4.44Å; I364-P412 HydrophobicContact CG1-CB 3.47Å; I364-P412 VanDerWaalsContact CG1-CB 3.47Å; I364-P412 HydrophobicContact CG1-CG 4.36Å; E367-P412 WeakPolarHBondContact OE2-CG 3.33Å; C407-P412 WeakPolarHBondContact O-CD 3.43Å
413	L	88.8	Confident	88.1	Confident	51 Å²	51	68.8 Å²	68.8	27%	0.267	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-2.1	178	-65.1	-178	0	0	0	114.6	I364 Y372 L408 G411	I364-L413 HydrophobicContact CD1-CD2 3.78Å; Y372-L413 HydrophobicContact CD1-CD2 4Å; Y372-L413 HydrophobicContact CE1-CD1 4.44Å; Y372-L413 HydrophobicContact CE1-CD2 3.94Å; Y372-L413 HydrophobicContact CE2-CD1 4.17Å; Y372-L413 HydrophobicContact CG-CD2 4.49Å; L408-L413 HydrophobicContact CB-CD1 3.88Å; L408-L413 HydrophobicContact CB-CG 4.42Å; L408-L413 HydrophobicContact CD2-CD1 4.3Å; L408-L413 HydrophobicContact CD2-CG 4.39Å; L408-L413 WeakPolarHBondContact O-CB 3.32Å; L408-L413 PolarHBondContact O-N 3.22Å; G411-L413 PolarHBondContact O-N 3.39Å
414	N	88.3	Confident	88.1	Confident	88 Å²	88	65.5 Å²	65.5	47%	0.471	37%	0.371	S	S	.	.			trans	-63	140.1	-178.6	-164.3	-16.4	0	0	0	111.6	G411 T416 V417	G411-N414 WeakPolarHBondContact O-CB 3.45Å; G411-N414 PolarHBondContact O-N 2.76Å; N414-T416 VanDerWaalsContact CG-OG1 3.29Å; N414-T416 PolarHBondContact ND2-OG1 3.4Å; N414-T416 PolarHBondContact O-N 3.2Å; N414-T416 PolarHBondContact OD1-N 2.99Å; N414-T416 PolarHBondContact OD1-OG1 2.9Å; N414-V417 HydrophobicContact CB-CG2 4.35Å; N414-V417 WeakPolarHBondContact O-CB 3.28Å; N414-V417 PolarHBondContact O-N 3.43Å
415	V	87.3	Confident	88	Confident	112 Å²	112	67.1 Å²	67.1	68%	0.679	38%	0.382	S	S	*	.	H	α-helix	trans	-59	-31.4	-179.1	-179.7	0	0	0	0	111.4	V417 K418 S419	V415-V417 VanDerWaalsContact C-N 3.29Å; V415-V417 PolarHBondContact O-N 2.7Å; V415-K418 PolarHBondContact O-N 2.89Å; V415-S419 PolarHBondContact O-N 2.87Å; V415-S419 VanDerWaalsContact O-N 3.11Å
416	T	89.3	Confident	88.1	Confident	85 Å²	85	65.2 Å²	65.2	52%	0.521	37%	0.372	S	S	.	.	H	α-helix	trans	-62	-33.4	176.9	55.3	0	0	0	0	113.2	N414 S419 Q420	N414-T416 VanDerWaalsContact CG-OG1 3.29Å; N414-T416 PolarHBondContact ND2-OG1 3.4Å; N414-T416 PolarHBondContact O-N 3.2Å; N414-T416 PolarHBondContact OD1-N 2.99Å; N414-T416 PolarHBondContact OD1-OG1 2.9Å; T416-S419 PolarHBondContact O-N 3.4Å; T416-S419 PolarHBondContact O-OG 3.44Å; T416-Q420 WeakPolarHBondContact O-CB 3.37Å; T416-Q420 PolarHBondContact O-N 3.11Å
417	V	85.8	Confident	88.2	Confident	27 Å²	27	60.7 Å²	60.7	16%	0.164	35%	0.351	C	S	.	.	H	α-helix	trans	-67.6	-41	177.2	179.5	0	0	0	0	109.9	N414 V415 Q420 Y421	N414-V417 HydrophobicContact CB-CG2 4.35Å; N414-V417 WeakPolarHBondContact O-CB 3.28Å; N414-V417 PolarHBondContact O-N 3.43Å; V415-V417 VanDerWaalsContact C-N 3.29Å; V415-V417 PolarHBondContact O-N 2.7Å; V417-Q420 PolarHBondContact O-N 2.82Å; V417-Y421 HydrophobicContact CG1-CD2 4.07Å; V417-Y421 HydrophobicContact CG1-CE2 3.67Å; V417-Y421 WeakPolarHBondContact O-CD2 3.28Å; V417-Y421 PolarHBondContact O-N 3.42Å
418	K	87.9	Confident	88.1	Confident	67 Å²	67	60.2 Å²	60.2	29%	0.291	35%	0.347	S	S	.	.	H	α-helix	trans	-63.4	-46.1	176.4	-67.1	-173.9	176.8	-179.9	0	111.8	I356 V415 Q420 Y421 E422	I356-K418 HydrophobicContact CG2-CB 3.96Å; I356-K418 HydrophobicContact CG2-CG 3.94Å; V415-K418 PolarHBondContact O-N 2.89Å; K418-Q420 VanDerWaalsContact C-N 3.3Å; K418-Q420 PolarHBondContact O-N 3.27Å; K418-Y421 PolarHBondContact O-N 2.92Å; K418-E422 WeakPolarHBondContact O-CG 3.36Å; K418-E422 PolarHBondContact O-N 2.96Å
419	S	88.8	Confident	88	Confident	57 Å²	57	60.6 Å²	60.6	40%	0.399	35%	0.348	S	S	.	.	H	α-helix	trans	-66.8	-30.9	-179.8	66.5	0	0	0	0	112.9	V415 T416 E422 S423	V415-S419 PolarHBondContact O-N 2.87Å; V415-S419 VanDerWaalsContact O-N 3.11Å; T416-S419 PolarHBondContact O-N 3.4Å; T416-S419 PolarHBondContact O-OG 3.44Å; S419-E422 PolarHBondContact O-N 2.82Å; S419-S423 PolarHBondContact O-N 3.04Å; S419-S423 VanDerWaalsContact O-N 3.11Å; S419-S423 PolarHBondContact O-OG 3.08Å
420	Q	90.9	Very high	88.3	Confident	119 Å²	119	56.4 Å²	56.4	56%	0.556	32%	0.323	S	S	*	.	H	α-helix	trans	-62.8	-45	171.7	-176.8	179.5	-12.1	0	0	111.3	T416 V417 K418 S423 T424	T416-Q420 WeakPolarHBondContact O-CB 3.37Å; T416-Q420 PolarHBondContact O-N 3.11Å; V417-Q420 PolarHBondContact O-N 2.82Å; K418-Q420 VanDerWaalsContact C-N 3.3Å; K418-Q420 PolarHBondContact O-N 3.27Å; Q420-S423 PolarHBondContact O-N 3.13Å; Q420-S423 PolarHBondContact O-OG 3.1Å; Q420-S423 VanDerWaalsContact O-OG 3.08Å; Q420-T424 WeakPolarHBondContact O-CB 3.32Å; Q420-T424 WeakPolarHBondContact O-CG2 3.25Å; Q420-T424 PolarHBondContact O-N 3.24Å; Q420-T424 VanDerWaalsContact O-N 3.1Å; Q420-T424 PolarHBondContact O-OG1 3.09Å
421	Y	89.7	Confident	88.5	Confident	33 Å²	33	58 Å²	58	13%	0.129	31%	0.314	C	S	.	.	H	α-helix	trans	-66.8	-38.5	177.2	-74.4	-54.7	0	0	0	112.8	H359 D363 V417 K418 S423 L425 C426	H359-Y421 HydrophobicContact CB-CD1 3.96Å; H359-Y421 HydrophobicContact CB-CD2 4.06Å; H359-Y421 HydrophobicContact CB-CE1 3.8Å; H359-Y421 HydrophobicContact CB-CE2 3.88Å; H359-Y421 HydrophobicContact CB-CG 4.1Å; D363-Y421 VanDerWaalsContact CG-OH 3.26Å; D363-Y421 PolarHBondContact OD1-OH 3.09Å; D363-Y421 WeakPolarHBondContact OD2-CE2 3.37Å; D363-Y421 PolarHBondContact OD2-OH 2.89Å; V417-Y421 HydrophobicContact CG1-CD2 4.07Å; V417-Y421 HydrophobicContact CG1-CE2 3.67Å; V417-Y421 WeakPolarHBondContact O-CD2 3.28Å; V417-Y421 PolarHBondContact O-N 3.42Å; K418-Y421 PolarHBondContact O-N 2.92Å; Y421-S423 VanDerWaalsContact C-N 3.34Å; Y421-S423 PolarHBondContact O-N 2.63Å; Y421-L425 HydrophobicContact CD1-CD2 4.42Å; Y421-L425 PolarHBondContact O-N 2.97Å; Y421-L425 VanDerWaalsContact O-N 3.12Å; Y421-C426 WeakPolarHBondContact O-CB 3.37Å; Y421-C426 PolarHBondContact O-N 3.36Å
422	E	87.8	Confident	88.8	Confident	91 Å²	91	58.5 Å²	58.5	43%	0.425	31%	0.309	S	S	.	.	H	α-helix	trans	-58.5	-43.1	175.4	-77.1	172.8	-178.5	0	0	112.8	I356 K418 S419	I356-E422 HydrophobicContact CD1-CG 3.31Å; I356-E422 HydrophobicContact CG1-CG 3.97Å; K418-E422 WeakPolarHBondContact O-CG 3.36Å; K418-E422 PolarHBondContact O-N 2.96Å; S419-E422 PolarHBondContact O-N 2.82Å
423	S	84.5	Confident	89.1	Confident	81 Å²	81	60.8 Å²	60.8	57%	0.566	32%	0.318	S	S	*	.	H	α-helix	trans	-81	-28.1	-176.4	54.8	0	0	0	0	114.2	S419 Q420 Y421 H427	S419-S423 PolarHBondContact O-N 3.04Å; S419-S423 VanDerWaalsContact O-N 3.11Å; S419-S423 PolarHBondContact O-OG 3.08Å; Q420-S423 PolarHBondContact O-N 3.13Å; Q420-S423 PolarHBondContact O-OG 3.1Å; Q420-S423 VanDerWaalsContact O-OG 3.08Å; Y421-S423 VanDerWaalsContact C-N 3.34Å; Y421-S423 PolarHBondContact O-N 2.63Å; S423-H427 PolarHBondContact O-CE1 2.97Å
424	T	86.2	Confident	89.4	Confident	85 Å²	85	60.6 Å²	60.6	52%	0.521	32%	0.319	S	S	.	.	H	α-helix	trans	-107.8	-36.3	-169.6	59.8	0	0	0	0	115.2	Q420	Q420-T424 WeakPolarHBondContact O-CB 3.32Å; Q420-T424 WeakPolarHBondContact O-CG2 3.25Å; Q420-T424 PolarHBondContact O-N 3.24Å; Q420-T424 VanDerWaalsContact O-N 3.1Å; Q420-T424 PolarHBondContact O-OG1 3.09Å
425	L	86.4	Confident	89.7	Confident	70 Å²	70	57.3 Å²	57.3	37%	0.366	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133	-47	-165.3	-176.9	63.4	0	0	0	113.4	H359 Y421 H427	H359-L425 WeakPolarHBondContact CE1-CD2 3.23Å; H359-L425 WeakPolarHBondContact NE2-CD2 3.45Å; Y421-L425 HydrophobicContact CD1-CD2 4.42Å; Y421-L425 PolarHBondContact O-N 2.97Å; Y421-L425 VanDerWaalsContact O-N 3.12Å; L425-H427 PolarHBondContact O-N 2.85Å
426	C	90.3	Very high	90	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.289	C	S	.	.			trans	-91.2	74.3	-174.3	-67	0	0	0	0	110.7	Q352 C355 I356 Y421	Q352-C426 WeakPolarHBondContact CG-O 3.42Å; Q352-C426 PolarHBondContact NE2-O 2.94Å; Q352-C426 VanDerWaalsContact NE2-O 3.07Å; C355-C426 HydrophobicContact CB-CB 3.66Å; C355-C426 WeakPolarHBondContact CB-SG 3.32Å; C355-C426 WeakPolarHBondContact SG-CA 3.47Å; C355-C426 WeakPolarHBondContact SG-CB 3.49Å; C355-C426 CovalentContact SG-SG 2.04Å; C355-C426 PolarHBondContact SG-SG 3.13Å; I356-C426 HydrophobicContact CG1-CB 3.7Å; I356-C426 PolarHBondContact N-SG 3.46Å; Y421-C426 WeakPolarHBondContact O-CB 3.37Å; Y421-C426 PolarHBondContact O-N 3.36Å
427	H	90.6	Very high	90.2	Very high	41 Å²	41	54.4 Å²	54.4	19%	0.19	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-81	146.3	177.9	-57.4	-37.1	0	0	0	112.4	P309 Y350 S423 L425	P309-H427 WeakPolarHBondContact CG-CE1 3.43Å; Y350-H427 VanDerWaalsContact CE1-O 3.26Å; Y350-H427 WeakPolarHBondContact CE1-O 3.37Å; Y350-H427 PolarHBondContact OH-N 3.06Å; Y350-H427 PolarHBondContact OH-O 2.79Å; S423-H427 PolarHBondContact O-CE1 2.97Å; L425-H427 PolarHBondContact O-N 2.85Å
428	P	91.6	Very high	90.6	Very high	15 Å²	15	57 Å²	57	10%	0.097	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-61.4	155.9	174	28.5	-36.5	0	0	0	111.6	R302 C310 R311	R302-P428 VanDerWaalsContact NH1-CG 3.28Å; C310-P428 CarbonylContact C-O 3.5Å; C310-P428 VanDerWaalsContact CA-O 3.26Å; C310-P428 WeakPolarHBondContact CA-O 3.3Å; C310-P428 HydrophobicContact CB-CG 4.4Å; C310-P428 WeakPolarHBondContact CB-O 3.08Å; R311-P428 PolarHBondContact N-O 3.32Å
429	R	90.6	Very high	90.9	Very high	23 Å²	23	56.9 Å²	56.9	9%	0.087	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-70	143.9	170	-72	-176.8	-76.8	147.6	-0	109.7	E271 Y350 R431 Y432	E271-R429 IonicContact OE1-NH1 2.77Å; E271-R429 PolarHBondContact OE1-NH1 2.88Å; E271-R429 IonicContact OE2-CZ 2.69Å; E271-R429 IonicContact OE2-NH1 3.18Å; E271-R429 PolarHBondContact OE2-NH1 2.89Å; E271-R429 IonicContact OE2-NH2 3.41Å; E271-R429 PolarHBondContact OE2-NH2 3.05Å; Y350-R429 HydrophobicContact CD1-CG 3.82Å; Y350-R429 HydrophobicContact CE1-CG 4.19Å; Y350-R429 PolarHBondContact O-NE 3.43Å; Y350-R429 VanDerWaalsContact O-NE 3.08Å; R429-R431 PolarHBondContact O-N 3.34Å; R429-Y432 HydrophobicContact CB-CD1 4.16Å; R429-Y432 VanDerWaalsContact O-CD1 3.31Å; R429-Y432 WeakPolarHBondContact O-CD1 3.44Å; R429-Y432 WeakPolarHBondContact O-CE1 3.41Å
430	C	92	Very high	91.3	Very high	19 Å²	19	56.8 Å²	56.8	13%	0.128	29%	0.294	C	S	.	.	S	Bend	trans	-68.8	-27	175.1	-58.7	0	0	0	0	112.5	K301 R302 C310 R311	K301-C430 CarbonylContact C-O 3.55Å; K301-C430 WeakPolarHBondContact CA-O 3.15Å; R302-C430 PolarHBondContact N-O 2.79Å; C310-C430 HydrophobicContact CB-CB 4.02Å; C310-C430 WeakPolarHBondContact CB-SG 3.39Å; C310-C430 PolarHBondContact O-SG 2.78Å; C310-C430 WeakPolarHBondContact SG-CA 3.27Å; C310-C430 WeakPolarHBondContact SG-CB 3.31Å; C310-C430 CovalentContact SG-SG 2.04Å; C310-C430 PolarHBondContact SG-SG 2.83Å; R311-C430 PolarHBondContact O-N 3.23Å; R311-C430 PolarHBondContact O-SG 2.78Å
431	R	91.2	Very high	91.5	Very high	126 Å²	126	54 Å²	54	48%	0.475	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	127.3	178	-60.4	-179.9	76	125.6	-3.3	110	W300 R429	W300-R431 WeakPolarHBondContact O-CA 3.22Å; R429-R431 PolarHBondContact O-N 3.34Å
432	Y	90.9	Very high	91.7	Very high	34 Å²	34	56.3 Å²	56.3	13%	0.133	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	159.6	175.5	60.5	-84.6	0	0	0	110.3	W300 R302 R429 T434	W300-Y432 HydrophobicContact CB-CD1 4.04Å; W300-Y432 HydrophobicContact CB-CD2 4.2Å; W300-Y432 HydrophobicContact CB-CE1 3.65Å; W300-Y432 HydrophobicContact CB-CE2 3.82Å; W300-Y432 HydrophobicContact CB-CG 4.29Å; W300-Y432 AromaticContact CD1-CE2 3.44Å; W300-Y432 VanDerWaalsContact CD1-CE2 3.44Å; W300-Y432 AromaticContact CD1-CZ 3.86Å; W300-Y432 HydrophobicContact CD2-CE2 4.46Å; W300-Y432 HydrophobicContact CG-CD2 4.32Å; W300-Y432 HydrophobicContact CG-CE1 4.21Å; W300-Y432 AromaticContact CG-CE2 3.62Å; W300-Y432 HydrophobicContact CG-CE2 3.62Å; W300-Y432 AromaticContact CG-CZ 3.54Å; W300-Y432 PolarHBondContact N-O 2.89Å; W300-Y432 PolarHBondContact O-N 3.31Å; R302-Y432 HydrophobicContact CG-CE1 4.23Å; R302-Y432 PolarHBondContact NE-OH 2.64Å; R302-Y432 PolarHBondContact NH2-OH 3.28Å; R429-Y432 HydrophobicContact CB-CD1 4.16Å; R429-Y432 VanDerWaalsContact O-CD1 3.31Å; R429-Y432 WeakPolarHBondContact O-CD1 3.44Å; R429-Y432 WeakPolarHBondContact O-CE1 3.41Å; Y432-T434 HydrophobicContact CD2-CG2 3.94Å; Y432-T434 HydrophobicContact CE2-CG2 3.69Å
433	Y	92.3	Very high	91.9	Very high	53 Å²	53	56.7 Å²	56.7	21%	0.208	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	142.5	174.2	-73.7	-87.5	0	0	0	110.6	P100 V298 L299 V518	P100-Y433 HydrophobicContact CG-CD2 3.86Å; P100-Y433 HydrophobicContact CG-CE2 3.76Å; P100-Y433 HydrophobicContact CG-CG 4.32Å; V298-Y433 WeakPolarHBondContact O-CA 3.44Å; L299-Y433 HydrophobicContact CB-CD1 4.14Å; L299-Y433 HydrophobicContact CB-CE1 3.77Å; L299-Y433 HydrophobicContact CD1-CD1 4.38Å; L299-Y433 HydrophobicContact CD1-CD2 4.36Å; L299-Y433 HydrophobicContact CD1-CE1 4.04Å; L299-Y433 HydrophobicContact CD1-CE2 3.99Å; L299-Y433 HydrophobicContact CG-CE1 4.34Å; Y433-V518 HydrophobicContact CE1-CG1 4.36Å
434	T	94.6	Very high	92	Very high	46 Å²	46	55.6 Å²	55.6	28%	0.282	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	152.1	162.2	56	0	0	0	0	108.9	V298 W300 Y432	V298-T434 PolarHBondContact N-O 2.98Å; V298-T434 PolarHBondContact O-N 3.16Å; W300-T434 PolarHBondContact NE1-OG1 2.97Å; Y432-T434 HydrophobicContact CD2-CG2 3.94Å; Y432-T434 HydrophobicContact CE2-CG2 3.69Å
435	Y	94.5	Very high	91.9	Very high	19 Å²	19	62.2 Å²	62.2	8%	0.075	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	96	-175.1	-61.4	-87.4	0	0	0	109	P100 P102 V269 E271 Y295 P297 S437	P100-Y435 WeakPolarHBondContact O-CE1 3.24Å; P100-Y435 PolarHBondContact O-OH 3.11Å; P102-Y435 HydrophobicContact CB-CD1 3.68Å; P102-Y435 HydrophobicContact CB-CD2 3.87Å; P102-Y435 HydrophobicContact CB-CE1 3.6Å; P102-Y435 HydrophobicContact CB-CE2 3.82Å; P102-Y435 HydrophobicContact CB-CG 3.8Å; P102-Y435 HydrophobicContact CG-CD1 3.81Å; P102-Y435 HydrophobicContact CG-CE1 3.89Å; P102-Y435 HydrophobicContact CG-CG 4.27Å; V269-Y435 HydrophobicContact CG1-CG 4.18Å; E271-Y435 HydrophobicContact CB-CE2 4.21Å; Y295-Y435 AromaticContact CD2-CD1 3.7Å; Y295-Y435 HydrophobicContact CD2-CD1 3.7Å; Y295-Y435 HydrophobicContact CD2-CE1 4.4Å; Y295-Y435 AromaticContact CE2-CD1 3.99Å; Y295-Y435 HydrophobicContact CE2-CD1 3.99Å; Y295-Y435 HydrophobicContact CE2-CE1 4.24Å; P297-Y435 HydrophobicContact CB-CD1 4.37Å; P297-Y435 HydrophobicContact CB-CE1 4.27Å; Y435-S437 PolarHBondContact O-N 3.32Å; Y435-S437 VanDerWaalsContact O-N 3.16Å
436	E	94	Very high	91.5	Very high	99 Å²	99	60.5 Å²	60.5	46%	0.463	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	112.2	175.9	-67.6	177.5	179.8	0	0	108.3	Y295 Q296 V298	Y295-E436 CarbonylContact C-O 3.58Å; Y295-E436 VanDerWaalsContact CA-O 3.3Å; Y295-E436 WeakPolarHBondContact CA-O 3.27Å; Q296-E436 PolarHBondContact N-O 3.34Å; Q296-E436 PolarHBondContact O-N 2.78Å; Q296-E436 VanDerWaalsContact O-N 3.09Å; V298-E436 HydrophobicContact CG2-CG 4.06Å
437	S	94.2	Very high	90.9	Very high	37 Å²	37	63.5 Å²	63.5	26%	0.259	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137	-173	55.3	0	0	0	0	112.7	N294 Y435	N294-S437 CarbonylContact O-C 3.56Å; N294-S437 WeakPolarHBondContact O-CA 3.18Å; Y435-S437 PolarHBondContact O-N 3.32Å; Y435-S437 VanDerWaalsContact O-N 3.16Å
438	T	94.2	Very high	90.2	Very high	81 Å²	81	63.3 Å²	63.3	50%	0.497	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	138.8	173.6	56.5	0	0	0	0	109.8	N294	N294-T438 PolarHBondContact N-O 3.35Å; N294-T438 PolarHBondContact O-N 2.97Å; N294-T438 PolarHBondContact O-OG1 2.93Å
439	I	94.4	Very high	89.5	Confident	65 Å²	65	69 Å²	69	33%	0.333	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	135.6	179.4	-165.1	169.5	0	0	0	111.2	H284 N291 E292 I293 V441	H284-I439 VanDerWaalsContact O-CD1 3.32Å; H284-I439 WeakPolarHBondContact O-CD1 3.48Å; N291-I439 HydrophobicContact CB-CD1 4.29Å; E292-I439 CarbonylContact O-C 3.54Å; E292-I439 WeakPolarHBondContact O-CA 3.46Å; I293-I439 HydrophobicContact CG1-CG1 4.45Å; I439-V441 HydrophobicContact CD1-CG2 4.31Å; I439-V441 HydrophobicContact CG1-CG2 4.13Å
440	S	95.8	Very high	89.2	Confident	56 Å²	56	72 Å²	72	39%	0.392	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.2	166.4	54.6	0	0	0	0	109.3	E292	E292-S440 PolarHBondContact N-O 3.42Å; E292-S440 PolarHBondContact O-N 3.39Å; E292-S440 PolarHBondContact O-OG 3.39Å
441	V	95.6	Very high	88.8	Confident	60 Å²	60	71.6 Å²	71.6	36%	0.364	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136	-174.2	-172.3	0	0	0	0	109.9	E286 K289 L290 N291 I439	E286-V441 HydrophobicContact CB-CG1 4.12Å; E286-V441 WeakPolarHBondContact OE2-CG1 3.31Å; K289-V441 HydrophobicContact CB-CG1 3.82Å; K289-V441 HydrophobicContact CD-CG1 3.66Å; K289-V441 HydrophobicContact CG-CG1 4.41Å; L290-V441 WeakPolarHBondContact O-CA 3.17Å; N291-V441 WeakPolarHBondContact OD1-CG2 3.42Å; I439-V441 HydrophobicContact CD1-CG2 4.31Å; I439-V441 HydrophobicContact CG1-CG2 4.13Å
442	T	94.6	Very high	88.3	Confident	81 Å²	81	67.3 Å²	67.3	50%	0.497	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	169.5	176.3	-168	0	0	0	0	111.3	K289 L290	K289-T442 WeakPolarHBondContact CB-O 3.3Å; L290-T442 HydrophobicContact CB-CG2 4.03Å; L290-T442 HydrophobicContact CD2-CG2 3.7Å; L290-T442 HydrophobicContact CG-CG2 4.07Å; L290-T442 PolarHBondContact N-O 3.13Å; L290-T442 PolarHBondContact O-N 2.91Å
443	T	91.9	Very high	87.8	Confident	99 Å²	99	67.4 Å²	67.4	61%	0.607	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	132.3	178.2	55.2	0	0	0	0	110.9
444	W	86.7	Confident	87.5	Confident	58 Å²	58	68.1 Å²	68.1	22%	0.22	35%	0.349	C	S	.	.			trans	-91.9	121.3	172	-173.3	50.5	0	0	0	109	I238 L290 A446 L501 F506 Y508	I238-W444 HydrophobicContact CD1-CH2 3.55Å; I238-W444 HydrophobicContact CD1-CZ2 3.68Å; I238-W444 HydrophobicContact CG1-CH2 4.26Å; I238-W444 HydrophobicContact CG1-CZ2 4.4Å; I238-W444 HydrophobicContact CG2-CH2 4.44Å; L290-W444 HydrophobicContact CB-CB 4.13Å; W444-A446 HydrophobicContact CD2-CB 3.94Å; W444-A446 HydrophobicContact CE3-CB 4.35Å; W444-A446 HydrophobicContact CH2-CB 3.9Å; W444-A446 HydrophobicContact CZ2-CB 3.4Å; W444-A446 HydrophobicContact CZ3-CB 4.36Å; W444-L501 HydrophobicContact CH2-CD1 4.48Å; W444-L501 HydrophobicContact CZ3-CD1 4.37Å; W444-F506 HydrophobicContact CD2-CE2 4.26Å; W444-F506 HydrophobicContact CE3-CD2 4.06Å; W444-F506 AromaticContact CE3-CE2 3.23Å; W444-F506 HydrophobicContact CE3-CE2 3.23Å; W444-F506 AromaticContact CE3-CZ 3.52Å; W444-F506 HydrophobicContact CE3-CZ 3.52Å; W444-F506 HydrophobicContact CZ3-CD2 4.05Å; W444-F506 AromaticContact CZ3-CE2 3.66Å; W444-F506 HydrophobicContact CZ3-CE2 3.66Å; W444-F506 AromaticContact CZ3-CZ 3.98Å; W444-F506 HydrophobicContact CZ3-CZ 3.98Å; W444-Y508 AromaticContact CD1-CD1 3.44Å; W444-Y508 VanDerWaalsContact CD1-CD1 3.44Å; W444-Y508 AromaticContact CD1-CE1 3.81Å; W444-Y508 HydrophobicContact CD2-CD1 4.06Å; W444-Y508 HydrophobicContact CD2-CG 4.42Å; W444-Y508 AromaticContact CE2-CD1 3.84Å; W444-Y508 AromaticContact CG-CD1 3.8Å; W444-Y508 HydrophobicContact CG-CD1 3.8Å; W444-Y508 AromaticContact NE1-CD1 3.47Å; W444-Y508 AromaticContact NE1-CE1 3.59Å
445	R	84.5	Confident	87.1	Confident	225 Å²	225	68.4 Å²	68.4	85%	0.849	34%	0.344	S	S	*	.			trans	-96.8	4	-171.4	-65.9	-176.4	65.1	-176.1	0.3	114.5
446	A	77.7	Confident	86.6	Confident	34 Å²	34	70 Å²	70	28%	0.281	35%	0.353	S	S	.	.			trans	-66.4	145.6	178.7	0	0	0	0	0	110	W444	W444-A446 HydrophobicContact CD2-CB 3.94Å; W444-A446 HydrophobicContact CE3-CB 4.35Å; W444-A446 HydrophobicContact CH2-CB 3.9Å; W444-A446 HydrophobicContact CZ2-CB 3.4Å; W444-A446 HydrophobicContact CZ3-CB 4.36Å
447	V	76.2	Confident	86.1	Confident	63 Å²	63	68.3 Å²	68.3	38%	0.382	35%	0.346	S	S	.	.			trans	-107	146.9	178.4	-71.9	0	0	0	0	109.6	W449 Q450 L451	V447-W449 VanDerWaalsContact CG2-CD1 3.48Å; V447-W449 HydrophobicContact CG2-CD2 3.99Å; V447-W449 HydrophobicContact CG2-CG 4.03Å; V447-W449 HydrophobicContact CG2-CZ2 3.93Å; V447-W449 PolarHBondContact O-N 2.8Å; V447-Q450 HydrophobicContact CG2-CB 4.2Å; V447-Q450 VanDerWaalsContact CG2-CD 3.45Å; V447-Q450 HydrophobicContact CG2-CG 3.57Å; V447-Q450 WeakPolarHBondContact O-CB 3.31Å; V447-Q450 PolarHBondContact O-N 2.88Å; V447-L451 PolarHBondContact O-N 2.81Å
448	D	76	Confident	85.6	Confident	37 Å²	37	67.7 Å²	67.7	20%	0.198	34%	0.34	C	S	.	.	H	α-helix	trans	-53.5	-37.1	-170.8	-57.5	-14.3	0	0	0	113.5	Q450 L451 H452 I496 L501	D448-Q450 VanDerWaalsContact C-N 3.31Å; D448-Q450 PolarHBondContact O-N 3.37Å; D448-L451 PolarHBondContact O-N 2.91Å; D448-H452 PolarHBondContact O-N 3.19Å; D448-I496 HydrophobicContact CB-CG2 3.74Å; D448-L501 WeakPolarHBondContact OD1-CB 3.44Å
449	W	78.3	Confident	85.2	Confident	134 Å²	134	69.5 Å²	69.5	51%	0.508	34%	0.338	S	S	.	.	H	α-helix	trans	-63.5	-34.3	177.1	68.7	-103.8	0	0	0	113.2	V447 L451 H452 W453 I491	V447-W449 VanDerWaalsContact CG2-CD1 3.48Å; V447-W449 HydrophobicContact CG2-CD2 3.99Å; V447-W449 HydrophobicContact CG2-CG 4.03Å; V447-W449 HydrophobicContact CG2-CZ2 3.93Å; V447-W449 PolarHBondContact O-N 2.8Å; W449-L451 VanDerWaalsContact C-N 3.33Å; W449-H452 PolarHBondContact O-N 2.75Å; W449-W453 AromaticContact CE3-CD1 3.93Å; W449-W453 PolarHBondContact O-N 3.35Å; W449-I491 HydrophobicContact CB-CD1 3.36Å; W449-I491 HydrophobicContact CG-CD1 4.44Å
450	Q	82.8	Confident	84.7	Confident	87 Å²	87	66.6 Å²	66.6	41%	0.407	32%	0.324	S	S	.	.	H	α-helix	trans	-65.4	-41.4	176.3	-74.8	172.9	-25.4	0	0	110.5	V447 D448 L454	V447-Q450 HydrophobicContact CG2-CB 4.2Å; V447-Q450 VanDerWaalsContact CG2-CD 3.45Å; V447-Q450 HydrophobicContact CG2-CG 3.57Å; V447-Q450 WeakPolarHBondContact O-CB 3.31Å; V447-Q450 PolarHBondContact O-N 2.88Å; D448-Q450 VanDerWaalsContact C-N 3.31Å; D448-Q450 PolarHBondContact O-N 3.37Å; Q450-L454 WeakPolarHBondContact O-CB 3.34Å; Q450-L454 PolarHBondContact O-N 3.11Å
451	L	83.3	Confident	84.1	Confident	9 Å²	9	69.1 Å²	69.1	5%	0.047	33%	0.328	C	S	.	.	H	α-helix	trans	-68.4	-41.4	177.7	-170.4	65.9	0	0	0	111.4	N184 I238 V447 D448 W449 W453 L454 R455 L499 L501	N184-L451 HydrophobicContact CB-CD1 4.45Å; N184-L451 WeakPolarHBondContact OD1-CD1 3.28Å; I238-L451 HydrophobicContact CD1-CD1 3.73Å; I238-L451 HydrophobicContact CD1-CD2 4.12Å; V447-L451 PolarHBondContact O-N 2.81Å; D448-L451 PolarHBondContact O-N 2.91Å; W449-L451 VanDerWaalsContact C-N 3.33Å; L451-W453 PolarHBondContact O-N 2.65Å; L451-L454 HydrophobicContact CD1-CD2 4.07Å; L451-L454 WeakPolarHBondContact O-CB 3.09Å; L451-L454 PolarHBondContact O-N 3.01Å; L451-R455 WeakPolarHBondContact O-CG 3.41Å; L451-R455 PolarHBondContact O-N 3.22Å; L451-L499 HydrophobicContact CB-CD1 4.43Å; L451-L499 HydrophobicContact CD2-CD2 4.29Å; L451-L501 HydrophobicContact CB-CD1 4.48Å; L451-L501 HydrophobicContact CD2-CD1 3.3Å
452	H	82	Confident	83.5	Confident	37 Å²	37	69.4 Å²	69.4	17%	0.171	32%	0.324	C	S	.	.	H	α-helix	trans	-53.9	-52.8	174	176.7	82.8	0	0	0	111.3	D448 W449 L454 R455 Q456 L499	D448-H452 PolarHBondContact O-N 3.19Å; W449-H452 PolarHBondContact O-N 2.75Å; H452-L454 VanDerWaalsContact C-N 3.35Å; H452-L454 PolarHBondContact O-N 2.84Å; H452-R455 WeakPolarHBondContact O-CB 3.32Å; H452-R455 PolarHBondContact O-N 3.34Å; H452-Q456 PolarHBondContact O-N 2.78Å; H452-L499 HydrophobicContact CB-CD1 4.11Å
453	W	81.1	Confident	82.9	Confident	35 Å²	35	67 Å²	67	13%	0.133	31%	0.311	C	S	.	.	H	α-helix	trans	-65.2	-36.5	179.1	-80	113.4	0	0	0	113.2	W449 L451 R455 Q456 L457 L485 A486 D488 I491	W449-W453 AromaticContact CE3-CD1 3.93Å; W449-W453 PolarHBondContact O-N 3.35Å; L451-W453 PolarHBondContact O-N 2.65Å; W453-R455 VanDerWaalsContact C-N 3.31Å; W453-R455 PolarHBondContact O-N 2.88Å; W453-Q456 HydrophobicContact CE3-CB 4.17Å; W453-Q456 HydrophobicContact CE3-CG 4.32Å; W453-Q456 HydrophobicContact CZ3-CB 4.45Å; W453-Q456 HydrophobicContact CZ3-CG 4.11Å; W453-Q456 PolarHBondContact O-N 3.3Å; W453-L457 WeakPolarHBondContact O-CB 2.87Å; W453-L457 WeakPolarHBondContact O-CG 3.27Å; W453-L457 PolarHBondContact O-N 3.02Å; W453-L485 WeakPolarHBondContact CH2-O 3.26Å; W453-A486 HydrophobicContact CZ3-CB 4.43Å; W453-D488 WeakPolarHBondContact CH2-O 3.31Å; W453-D488 WeakPolarHBondContact CZ2-O 3.49Å; W453-I491 HydrophobicContact CZ2-CG1 4.17Å
454	L	86	Confident	82.4	Confident	69 Å²	69	63 Å²	63	36%	0.361	29%	0.285	S	S	.	.	H	α-helix	trans	-57.8	-44.9	173.7	-179.8	66.7	0	0	0	111.3	I195 Q450 L451 H452 N458	I195-L454 HydrophobicContact CD1-CD1 3.95Å; I195-L454 HydrophobicContact CG2-CD2 4.17Å; I195-L454 HydrophobicContact CG2-CG 4.35Å; Q450-L454 WeakPolarHBondContact O-CB 3.34Å; Q450-L454 PolarHBondContact O-N 3.11Å; L451-L454 HydrophobicContact CD1-CD2 4.07Å; L451-L454 WeakPolarHBondContact O-CB 3.09Å; L451-L454 PolarHBondContact O-N 3.01Å; H452-L454 VanDerWaalsContact C-N 3.35Å; H452-L454 PolarHBondContact O-N 2.84Å; L454-N458 VanDerWaalsContact O-CB 3.24Å; L454-N458 WeakPolarHBondContact O-CB 2.92Å; L454-N458 PolarHBondContact O-N 2.54Å
455	R	85.9	Confident	82.3	Confident	51 Å²	51	66.7 Å²	66.7	19%	0.192	31%	0.305	C	S	.	.	H	α-helix	trans	-63.7	-46.6	177.6	-67.1	178.7	73.5	164.2	11.3	111.4	N184 D197 L451 H452 W453 N458 R459	N184-R455 WeakPolarHBondContact ND2-CG 3.43Å; D197-R455 HydrophobicContact CB-CB 4.3Å; D197-R455 HydrophobicContact CB-CG 3.94Å; D197-R455 IonicContact OD2-NH2 2.73Å; L451-R455 WeakPolarHBondContact O-CG 3.41Å; L451-R455 PolarHBondContact O-N 3.22Å; H452-R455 WeakPolarHBondContact O-CB 3.32Å; H452-R455 PolarHBondContact O-N 3.34Å; W453-R455 VanDerWaalsContact C-N 3.31Å; W453-R455 PolarHBondContact O-N 2.88Å; R455-N458 PolarHBondContact O-N 2.84Å; R455-R459 WeakPolarHBondContact O-CG 3.38Å; R455-R459 PolarHBondContact O-N 2.99Å
456	Q	82.5	Confident	82.2	Confident	54 Å²	54	63.2 Å²	63.2	25%	0.252	29%	0.293	S	S	.	.	H	α-helix	trans	-61.7	-47.5	-179.1	-171.8	62.4	14.9	0	0	111.7	H452 W453 R459 A460	H452-Q456 PolarHBondContact O-N 2.78Å; W453-Q456 HydrophobicContact CE3-CB 4.17Å; W453-Q456 HydrophobicContact CE3-CG 4.32Å; W453-Q456 HydrophobicContact CZ3-CB 4.45Å; W453-Q456 HydrophobicContact CZ3-CG 4.11Å; W453-Q456 PolarHBondContact O-N 3.3Å; Q456-R459 PolarHBondContact O-N 3.06Å; Q456-A460 PolarHBondContact O-N 2.98Å; Q456-A460 VanDerWaalsContact O-N 3.1Å
457	L	83.6	Confident	82.5	Confident	62 Å²	62	63 Å²	63	33%	0.325	29%	0.287	S	S	.	.	H	α-helix	trans	-62.7	-44	177.1	-73.4	172.7	0	0	0	111.7	W453 R459 A460 F461 A486	W453-L457 WeakPolarHBondContact O-CB 2.87Å; W453-L457 WeakPolarHBondContact O-CG 3.27Å; W453-L457 PolarHBondContact O-N 3.02Å; L457-R459 VanDerWaalsContact C-N 3.34Å; L457-R459 PolarHBondContact O-N 3.01Å; L457-A460 PolarHBondContact O-N 3.39Å; L457-F461 HydrophobicContact CB-CD2 4.38Å; L457-F461 HydrophobicContact CB-CE2 4.19Å; L457-F461 WeakPolarHBondContact O-CD2 3.39Å; L457-F461 PolarHBondContact O-N 2.94Å; L457-A486 HydrophobicContact CD2-CB 3.76Å
458	N	85.2	Confident	82.9	Confident	24 Å²	24	61.8 Å²	61.8	13%	0.128	28%	0.28	C	S	.	.	H	α-helix	trans	-61	-43.3	179.5	-170.7	33	0	0	0	112.2	I195 L454 R455 F461 K462	I195-N458 VanDerWaalsContact C-ND2 3.35Å; I195-N458 PolarHBondContact O-ND2 3.16Å; I195-N458 PolarHBondContact O-OD1 3.05Å; L454-N458 VanDerWaalsContact O-CB 3.24Å; L454-N458 WeakPolarHBondContact O-CB 2.92Å; L454-N458 PolarHBondContact O-N 2.54Å; R455-N458 PolarHBondContact O-N 2.84Å; N458-F461 PolarHBondContact O-N 3.17Å; N458-K462 WeakPolarHBondContact O-CB 3.41Å; N458-K462 WeakPolarHBondContact O-CG 3.43Å; N458-K462 PolarHBondContact O-N 2.85Å
459	R	84.5	Confident	83.4	Confident	119 Å²	119	68.9 Å²	68.9	45%	0.449	31%	0.309	S	S	.	.	H	α-helix	trans	-59.9	-46.8	175.1	-72.5	174.2	-178	172.9	-0.1	111.7	D197 R455 Q456 L457 K462 S463	D197-R459 IonicContact OD2-CZ 3.87Å; D197-R459 IonicContact OD2-NE 3.1Å; D197-R459 PolarHBondContact OD2-NE 2.95Å; D197-R459 IonicContact OD2-NH2 3.96Å; D197-R459 PolarHBondContact OD2-NH2 3.49Å; R455-R459 WeakPolarHBondContact O-CG 3.38Å; R455-R459 PolarHBondContact O-N 2.99Å; Q456-R459 PolarHBondContact O-N 3.06Å; L457-R459 VanDerWaalsContact C-N 3.34Å; L457-R459 PolarHBondContact O-N 3.01Å; R459-K462 PolarHBondContact O-N 2.82Å; R459-S463 VanDerWaalsContact O-CB 3.22Å; R459-S463 WeakPolarHBondContact O-CB 3.49Å; R459-S463 PolarHBondContact O-N 3.42Å
460	A	83.7	Confident	83.8	Confident	5 Å²	5	67.2 Å²	67.2	4%	0.041	31%	0.309	C	S	.	.	H	α-helix	trans	-60.5	-46.8	177.7	0	0	0	0	0	111.5	Q456 L457 K462 S463 M464 E482	Q456-A460 PolarHBondContact O-N 2.98Å; Q456-A460 VanDerWaalsContact O-N 3.1Å; L457-A460 PolarHBondContact O-N 3.39Å; A460-K462 PolarHBondContact O-N 2.79Å; A460-S463 WeakPolarHBondContact O-CB 3.45Å; A460-S463 PolarHBondContact O-N 3.03Å; A460-M464 HydrophobicContact CB-CE 4.43Å; A460-M464 VanDerWaalsContact O-CG 3.23Å; A460-M464 WeakPolarHBondContact O-CG 3.48Å; A460-M464 PolarHBondContact O-N 3.13Å; A460-E482 HydrophobicContact CB-CB 4.15Å
461	F	83.7	Confident	83.9	Confident	108 Å²	108	67 Å²	67	47%	0.474	31%	0.31	S	S	.	.	H	α-helix	trans	-62.2	-40.9	178	-75.5	-56.9	0	0	0	112.8	L457 N458 M464 Q465	L457-F461 HydrophobicContact CB-CD2 4.38Å; L457-F461 HydrophobicContact CB-CE2 4.19Å; L457-F461 WeakPolarHBondContact O-CD2 3.39Å; L457-F461 PolarHBondContact O-N 2.94Å; N458-F461 PolarHBondContact O-N 3.17Å; F461-M464 PolarHBondContact O-N 3.3Å; F461-Q465 WeakPolarHBondContact O-CG 3.26Å; F461-Q465 PolarHBondContact O-N 3.5Å
462	K	83.3	Confident	83.8	Confident	67 Å²	67	68.1 Å²	68.1	29%	0.291	33%	0.325	S	S	.	.	H	α-helix	trans	-65	-43.8	175.9	-78.4	-170.6	160.2	-138.4	0	112.9	E196 N458 R459 A460 M464 Q465 Y466	E196-K462 VanDerWaalsContact CD-CE 3.45Å; E196-K462 WeakPolarHBondContact OE1-CE 3.29Å; E196-K462 IonicContact OE1-NZ 3.05Å; E196-K462 PolarHBondContact OE1-NZ 3.29Å; E196-K462 WeakPolarHBondContact OE2-CE 3.04Å; E196-K462 IonicContact OE2-NZ 3.37Å; E196-K462 PolarHBondContact OE2-NZ 3.37Å; N458-K462 WeakPolarHBondContact O-CB 3.41Å; N458-K462 WeakPolarHBondContact O-CG 3.43Å; N458-K462 PolarHBondContact O-N 2.85Å; R459-K462 PolarHBondContact O-N 2.82Å; A460-K462 PolarHBondContact O-N 2.79Å; K462-M464 VanDerWaalsContact C-N 3.27Å; K462-M464 PolarHBondContact O-N 3.36Å; K462-Q465 PolarHBondContact O-N 2.84Å; K462-Y466 WeakPolarHBondContact O-CB 3.15Å; K462-Y466 PolarHBondContact O-N 3.43Å
463	S	82.8	Confident	83.6	Confident	30 Å²	30	75.1 Å²	75.1	21%	0.21	36%	0.357	C	S	.	.	H	α-helix	trans	-56.2	-44	174.8	-172.8	0	0	0	0	110.7	R459 A460 D467 K480 E482	R459-S463 VanDerWaalsContact O-CB 3.22Å; R459-S463 WeakPolarHBondContact O-CB 3.49Å; R459-S463 PolarHBondContact O-N 3.42Å; A460-S463 WeakPolarHBondContact O-CB 3.45Å; A460-S463 PolarHBondContact O-N 3.03Å; S463-D467 VanDerWaalsContact O-CG 3.29Å; S463-D467 PolarHBondContact O-N 3.24Å; S463-D467 VanDerWaalsContact O-N 3.11Å; S463-K480 WeakPolarHBondContact OG-CE 3.34Å; S463-K480 PolarHBondContact OG-NZ 3.5Å; S463-E482 WeakPolarHBondContact CB-OE2 3.45Å; S463-E482 PolarHBondContact OG-OE1 2.93Å; S463-E482 PolarHBondContact OG-OE2 3.37Å
464	M	81.5	Confident	83.3	Confident	14 Å²	14	81.3 Å²	81.3	7%	0.069	39%	0.393	C	S	.	.	H	α-helix	trans	-68.3	-43.4	175.9	-66.4	169.3	-173.2	0	0	113.1	A460 F461 K462 Y466 D467 V468 I477 K480 L483	A460-M464 HydrophobicContact CB-CE 4.43Å; A460-M464 VanDerWaalsContact O-CG 3.23Å; A460-M464 WeakPolarHBondContact O-CG 3.48Å; A460-M464 PolarHBondContact O-N 3.13Å; F461-M464 PolarHBondContact O-N 3.3Å; K462-M464 VanDerWaalsContact C-N 3.27Å; K462-M464 PolarHBondContact O-N 3.36Å; M464-Y466 VanDerWaalsContact C-N 3.28Å; M464-Y466 PolarHBondContact O-N 3.15Å; M464-D467 PolarHBondContact O-N 3.45Å; M464-V468 WeakPolarHBondContact O-CG2 3.35Å; M464-V468 PolarHBondContact O-N 3.09Å; M464-I477 HydrophobicContact CB-CG2 3.91Å; M464-I477 HydrophobicContact CE-CG2 4.37Å; M464-I477 HydrophobicContact CG-CG2 3.61Å; M464-I477 HydrophobicContact SD-CG2 3.51Å; M464-I477 VanDerWaalsContact SD-CG2 3.51Å; M464-K480 HydrophobicContact CE-CB 4.49Å; M464-K480 HydrophobicContact CG-CD 4.49Å; M464-L483 HydrophobicContact CE-CB 3.9Å; M464-L483 HydrophobicContact CE-CD1 3.96Å; M464-L483 HydrophobicContact CE-CG 4.46Å
465	Q	82.9	Confident	82.7	Confident	137 Å²	137	82.8 Å²	82.8	64%	0.64	39%	0.394	S	S	*	.	H	α-helix	trans	-61.3	-38.9	176.5	-76.2	178.4	6.2	0	0	112	F461 K462 K469	F461-Q465 WeakPolarHBondContact O-CG 3.26Å; F461-Q465 PolarHBondContact O-N 3.5Å; K462-Q465 PolarHBondContact O-N 2.84Å; Q465-K469 WeakPolarHBondContact O-CB 3.48Å; Q465-K469 PolarHBondContact O-N 3.13Å
466	Y	84.1	Confident	82.1	Confident	151 Å²	151	84.3 Å²	84.3	59%	0.592	41%	0.406	S	S	*	.	H	α-helix	trans	-63.2	-45	175	-178.2	-101.4	0	0	0	111.5	K462 M464 K469 I470	K462-Y466 WeakPolarHBondContact O-CB 3.15Å; K462-Y466 PolarHBondContact O-N 3.43Å; M464-Y466 VanDerWaalsContact C-N 3.28Å; M464-Y466 PolarHBondContact O-N 3.15Å; Y466-K469 WeakPolarHBondContact O-CB 3.37Å; Y466-K469 PolarHBondContact O-N 3.05Å; Y466-I470 HydrophobicContact CD1-CD1 3.84Å; Y466-I470 HydrophobicContact CD2-CD1 4.44Å; Y466-I470 HydrophobicContact CE1-CD1 3.22Å; Y466-I470 HydrophobicContact CE1-CG1 4.42Å; Y466-I470 HydrophobicContact CE2-CD1 3.9Å; Y466-I470 HydrophobicContact CG-CD1 4.42Å; Y466-I470 WeakPolarHBondContact O-CG1 3.33Å; Y466-I470 PolarHBondContact O-N 3.2Å; Y466-I470 VanDerWaalsContact O-N 3.11Å; Y466-I470 WeakPolarHBondContact OH-CD1 3.02Å
467	D	83.8	Confident	81.4	Confident	29 Å²	29	85.1 Å²	85.1	16%	0.155	41%	0.411	C	S	.	.	H	α-helix	trans	-62	-46.5	177	-68.2	-8.5	0	0	0	112	S463 M464 K469 I470 N471 K480	S463-D467 VanDerWaalsContact O-CG 3.29Å; S463-D467 PolarHBondContact O-N 3.24Å; S463-D467 VanDerWaalsContact O-N 3.11Å; M464-D467 PolarHBondContact O-N 3.45Å; D467-K469 VanDerWaalsContact C-N 3.26Å; D467-K469 PolarHBondContact O-N 3.27Å; D467-I470 PolarHBondContact O-N 3.03Å; D467-I470 VanDerWaalsContact O-N 3.1Å; D467-N471 WeakPolarHBondContact O-CB 3.3Å; D467-N471 PolarHBondContact O-N 3.3Å; D467-K480 VanDerWaalsContact CG-NZ 3.34Å; D467-K480 IonicContact OD1-NZ 2.67Å; D467-K480 PolarHBondContact OD1-NZ 3.41Å; D467-K480 WeakPolarHBondContact OD2-CE 3.36Å; D467-K480 IonicContact OD2-NZ 3.95Å; D467-K480 PolarHBondContact OD2-NZ 3.4Å
468	V	85.1	Confident	80.6	Confident	39 Å²	39	87.7 Å²	87.7	24%	0.236	43%	0.43	C	S	.	.	H	α-helix	trans	-60	-39.2	177.5	172.5	0	0	0	0	110.8	M464 I470 G472 I477	M464-V468 WeakPolarHBondContact O-CG2 3.35Å; M464-V468 PolarHBondContact O-N 3.09Å; V468-I470 VanDerWaalsContact C-N 3.29Å; V468-I470 PolarHBondContact O-N 3.4Å; V468-G472 CarbonylContact O-C 3.59Å; V468-G472 VanDerWaalsContact O-C 3.32Å; V468-G472 WeakPolarHBondContact O-CA 3.46Å; V468-G472 PolarHBondContact O-N 2.93Å; V468-I477 HydrophobicContact CG2-CD1 3.63Å; V468-I477 HydrophobicContact CG2-CG1 3.81Å
469	K	85.8	Confident	79.5	Confident	186 Å²	186	93.5 Å²	93.5	81%	0.809	46%	0.456	S	S	*	.	H	α-helix	trans	-65	-32.2	177.2	-172.5	177.5	-179.7	179.5	0	112.9	Q465 Y466 D467	Q465-K469 WeakPolarHBondContact O-CB 3.48Å; Q465-K469 PolarHBondContact O-N 3.13Å; Y466-K469 WeakPolarHBondContact O-CB 3.37Å; Y466-K469 PolarHBondContact O-N 3.05Å; D467-K469 VanDerWaalsContact C-N 3.26Å; D467-K469 PolarHBondContact O-N 3.27Å
470	I	86.9	Confident	78.6	Confident	98 Å²	98	90.4 Å²	90.4	50%	0.503	45%	0.446	S	S	.	.	H	α-helix	trans	-86	-45.5	-179.9	-69.4	-179.4	0	0	0	111.8	Y466 D467 V468	Y466-I470 HydrophobicContact CD1-CD1 3.84Å; Y466-I470 HydrophobicContact CD2-CD1 4.44Å; Y466-I470 HydrophobicContact CE1-CD1 3.22Å; Y466-I470 HydrophobicContact CE1-CG1 4.42Å; Y466-I470 HydrophobicContact CE2-CD1 3.9Å; Y466-I470 HydrophobicContact CG-CD1 4.42Å; Y466-I470 WeakPolarHBondContact O-CG1 3.33Å; Y466-I470 PolarHBondContact O-N 3.2Å; Y466-I470 VanDerWaalsContact O-N 3.11Å; Y466-I470 WeakPolarHBondContact OH-CD1 3.02Å; D467-I470 PolarHBondContact O-N 3.03Å; D467-I470 VanDerWaalsContact O-N 3.1Å; V468-I470 VanDerWaalsContact C-N 3.29Å; V468-I470 PolarHBondContact O-N 3.4Å
471	N	85	Confident	77.5	Confident	82 Å²	82	96 Å²	96	44%	0.439	48%	0.475	S	S	.	.	H	α-helix	trans	-93	-7	-169.9	-63.8	-27.6	0	0	0	113.1	D467 W475	D467-N471 WeakPolarHBondContact O-CB 3.3Å; D467-N471 PolarHBondContact O-N 3.3Å; N471-W475 HydrophobicContact CB-CB 3.83Å; N471-W475 HydrophobicContact CB-CD2 3.73Å; N471-W475 HydrophobicContact CB-CE3 3.58Å; N471-W475 HydrophobicContact CB-CG 3.85Å; N471-W475 HydrophobicContact CB-CZ3 4.36Å; N471-W475 VanDerWaalsContact ND2-CD2 3.28Å; N471-W475 VanDerWaalsContact ND2-CE3 3.34Å
472	G	80.7	Confident	76.5	Confident	34 Å²	34	94 Å²	94	35%	0.351	47%	0.467	S	S	.	.			trans	90.8	167.5	-176.3	0	0	0	0	0	113	V468 D474 W475	V468-G472 CarbonylContact O-C 3.59Å; V468-G472 VanDerWaalsContact O-C 3.32Å; V468-G472 WeakPolarHBondContact O-CA 3.46Å; V468-G472 PolarHBondContact O-N 2.93Å; G472-D474 PolarHBondContact O-N 3.35Å; G472-W475 WeakPolarHBondContact O-CB 3.44Å; G472-W475 PolarHBondContact O-N 3.49Å; G472-W475 VanDerWaalsContact O-N 3.15Å
473	E	77.3	Confident	75.4	Confident	183 Å²	183	95 Å²	95	86%	0.855	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.6	-174	-65.6	-177.1	170.8	0	0	113.4	W475	E473-W475 PolarHBondContact O-N 3.15Å
474	D	74.7	Confident	74.1	Confident	166 Å²	166	96.6 Å²	96.6	89%	0.888	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	1.1	179.2	-63.9	-32.2	0	0	0	113.6	G472 N476	G472-D474 PolarHBondContact O-N 3.35Å; D474-N476 PolarHBondContact O-N 3.23Å
475	W	74.8	Confident	72.9	Confident	100 Å²	100	100.4 Å²	100.4	38%	0.379	51%	0.507	S	S	.	.			trans	-61.8	121.8	178.8	178.6	-109.2	0	0	0	111.2	N471 G472 E473 I477	N471-W475 HydrophobicContact CB-CB 3.83Å; N471-W475 HydrophobicContact CB-CD2 3.73Å; N471-W475 HydrophobicContact CB-CE3 3.58Å; N471-W475 HydrophobicContact CB-CG 3.85Å; N471-W475 HydrophobicContact CB-CZ3 4.36Å; N471-W475 VanDerWaalsContact ND2-CD2 3.28Å; N471-W475 VanDerWaalsContact ND2-CE3 3.34Å; G472-W475 WeakPolarHBondContact O-CB 3.44Å; G472-W475 PolarHBondContact O-N 3.49Å; G472-W475 VanDerWaalsContact O-N 3.15Å; E473-W475 PolarHBondContact O-N 3.15Å; W475-I477 WeakPolarHBondContact O-CG1 3.33Å; W475-I477 PolarHBondContact O-N 3.43Å
476	N	72.9	Confident	71.7	Confident	83 Å²	83	94.9 Å²	94.9	44%	0.444	49%	0.485	S	S	.	.			trans	-75.8	91	-178.1	-170.2	0.5	0	0	0	111.7	D474 T478 Q479	D474-N476 PolarHBondContact O-N 3.23Å; N476-T478 PolarHBondContact ND2-OG1 3.22Å; N476-T478 PolarHBondContact O-N 2.86Å; N476-T478 VanDerWaalsContact O-N 3.1Å; N476-T478 WeakPolarHBondContact OD1-CB 3.4Å; N476-T478 PolarHBondContact OD1-N 3.38Å; N476-T478 PolarHBondContact OD1-OG1 3.4Å; N476-Q479 PolarHBondContact O-N 3.04Å
477	I	67.9	Low	70.2	Confident	71 Å²	71	93.8 Å²	93.8	36%	0.364	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-57.6	-26	-178.8	-51.9	175.2	0	0	0	112.3	M464 V468 W475 Q479 K480	M464-I477 HydrophobicContact CB-CG2 3.91Å; M464-I477 HydrophobicContact CE-CG2 4.37Å; M464-I477 HydrophobicContact CG-CG2 3.61Å; M464-I477 HydrophobicContact SD-CG2 3.51Å; M464-I477 VanDerWaalsContact SD-CG2 3.51Å; V468-I477 HydrophobicContact CG2-CD1 3.63Å; V468-I477 HydrophobicContact CG2-CG1 3.81Å; W475-I477 WeakPolarHBondContact O-CG1 3.33Å; W475-I477 PolarHBondContact O-N 3.43Å; I477-Q479 PolarHBondContact O-N 2.97Å; I477-Q479 VanDerWaalsContact O-N 3.12Å; I477-K480 PolarHBondContact O-N 3.36Å
478	T	66.5	Low	69.1	Low	116 Å²	116	96.5 Å²	96.5	71%	0.712	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-66.9	-14.3	-174.3	65.1	0	0	0	0	114.4	N476 K480	N476-T478 PolarHBondContact ND2-OG1 3.22Å; N476-T478 PolarHBondContact O-N 2.86Å; N476-T478 VanDerWaalsContact O-N 3.1Å; N476-T478 WeakPolarHBondContact OD1-CB 3.4Å; N476-T478 PolarHBondContact OD1-N 3.38Å; N476-T478 PolarHBondContact OD1-OG1 3.4Å; T478-K480 VanDerWaalsContact C-N 3.32Å; T478-K480 PolarHBondContact O-N 2.82Å
479	Q	62.6	Low	67.9	Low	145 Å²	145	102.9 Å²	102.9	68%	0.678	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-79.7	-9.6	179.3	-69.8	-172.8	-6	0	0	114.1	N476 I477 N481	N476-Q479 PolarHBondContact O-N 3.04Å; I477-Q479 PolarHBondContact O-N 2.97Å; I477-Q479 VanDerWaalsContact O-N 3.12Å; Q479-N481 PolarHBondContact O-N 2.79Å
480	K	64	Low	66.8	Low	54 Å²	54	102 Å²	102	24%	0.235	53%	0.527	C	S	.	.			trans	-83.7	116	-175.5	-142.2	172.6	-171.9	166.5	0	111.3	S463 M464 D467 I477 T478 E482 L483	S463-K480 WeakPolarHBondContact OG-CE 3.34Å; S463-K480 PolarHBondContact OG-NZ 3.5Å; M464-K480 HydrophobicContact CE-CB 4.49Å; M464-K480 HydrophobicContact CG-CD 4.49Å; D467-K480 VanDerWaalsContact CG-NZ 3.34Å; D467-K480 IonicContact OD1-NZ 2.67Å; D467-K480 PolarHBondContact OD1-NZ 3.41Å; D467-K480 WeakPolarHBondContact OD2-CE 3.36Å; D467-K480 IonicContact OD2-NZ 3.95Å; D467-K480 PolarHBondContact OD2-NZ 3.4Å; I477-K480 PolarHBondContact O-N 3.36Å; T478-K480 VanDerWaalsContact C-N 3.32Å; T478-K480 PolarHBondContact O-N 2.82Å; K480-E482 HydrophobicContact CG-CB 4.48Å; K480-E482 HydrophobicContact CG-CG 4.38Å; K480-E482 PolarHBondContact O-N 3.49Å; K480-L483 PolarHBondContact O-N 3Å
481	N	61.5	Low	65.8	Low	124 Å²	124	99.3 Å²	99.3	66%	0.663	51%	0.513	S	S	*	.	H	α-helix	trans	-58.6	-15.5	176.5	-75.9	-9	0	0	0	114	Q479 L483 S484 L485	Q479-N481 PolarHBondContact O-N 2.79Å; N481-L483 PolarHBondContact O-N 3.16Å; N481-S484 WeakPolarHBondContact CA-OG 3.32Å; N481-S484 WeakPolarHBondContact O-CA 3.44Å; N481-S484 WeakPolarHBondContact O-CB 3.42Å; N481-S484 PolarHBondContact O-N 2.99Å; N481-S484 PolarHBondContact O-OG 3.3Å; N481-L485 PolarHBondContact O-N 2.86Å; N481-L485 VanDerWaalsContact O-N 3.08Å
482	E	62.1	Low	65	Low	64 Å²	64	98.7 Å²	98.7	30%	0.299	52%	0.516	S	S	.	.	H	α-helix	trans	-58.4	-31.7	176.6	-70.3	179	-178.2	0	0	113	A460 S463 K480	A460-E482 HydrophobicContact CB-CB 4.15Å; S463-E482 WeakPolarHBondContact CB-OE2 3.45Å; S463-E482 PolarHBondContact OG-OE1 2.93Å; S463-E482 PolarHBondContact OG-OE2 3.37Å; K480-E482 HydrophobicContact CG-CB 4.48Å; K480-E482 HydrophobicContact CG-CG 4.38Å; K480-E482 PolarHBondContact O-N 3.49Å
483	L	60.3	Low	64.4	Low	88 Å²	88	101.7 Å²	101.7	46%	0.461	53%	0.527	S	S	.	.	H	α-helix	trans	-75.3	-32.6	173.9	-154.1	76.6	0	0	0	112	M464 K480 N481 L485 A486	M464-L483 HydrophobicContact CE-CB 3.9Å; M464-L483 HydrophobicContact CE-CD1 3.96Å; M464-L483 HydrophobicContact CE-CG 4.46Å; K480-L483 PolarHBondContact O-N 3Å; N481-L483 PolarHBondContact O-N 3.16Å; L483-L485 VanDerWaalsContact C-N 3.28Å; L483-L485 PolarHBondContact O-N 3.11Å; L483-A486 WeakPolarHBondContact O-CB 3.49Å; L483-A486 PolarHBondContact O-N 2.85Å
484	S	56.6	Low	64	Low	65 Å²	65	98.2 Å²	98.2	46%	0.455	51%	0.514	S	S	.	.	H	α-helix	trans	-67	-30	175.2	68.5	0	0	0	0	112.6	N481 A486 N487	N481-S484 WeakPolarHBondContact CA-OG 3.32Å; N481-S484 WeakPolarHBondContact O-CA 3.44Å; N481-S484 WeakPolarHBondContact O-CB 3.42Å; N481-S484 PolarHBondContact O-N 2.99Å; N481-S484 PolarHBondContact O-OG 3.3Å; S484-A486 PolarHBondContact O-N 2.79Å; S484-N487 WeakPolarHBondContact O-CB 3.45Å; S484-N487 PolarHBondContact O-N 3.49Å; S484-N487 VanDerWaalsContact O-N 3.14Å
485	L	56.3	Low	63.7	Low	94 Å²	94	91.6 Å²	91.6	49%	0.492	48%	0.482	S	S	.	.	H	α-helix	trans	-65.1	-24.9	170.9	-78.1	155.4	0	0	0	112.5	W453 N481 L483 N487 D488	W453-L485 WeakPolarHBondContact CH2-O 3.26Å; N481-L485 PolarHBondContact O-N 2.86Å; N481-L485 VanDerWaalsContact O-N 3.08Å; L483-L485 VanDerWaalsContact C-N 3.28Å; L483-L485 PolarHBondContact O-N 3.11Å; L485-N487 VanDerWaalsContact C-N 3.29Å; L485-D488 PolarHBondContact O-N 2.83Å
486	A	56	Low	63.4	Low	21 Å²	21	88.5 Å²	88.5	17%	0.174	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-18.4	174.6	0	0	0	0	0	113.6	W453 L457 L483 S484 D488	W453-A486 HydrophobicContact CZ3-CB 4.43Å; L457-A486 HydrophobicContact CD2-CB 3.76Å; L483-A486 WeakPolarHBondContact O-CB 3.49Å; L483-A486 PolarHBondContact O-N 2.85Å; S484-A486 PolarHBondContact O-N 2.79Å; A486-D488 VanDerWaalsContact C-N 3.34Å
487	N	54.4	Low	63.2	Low	127 Å²	127	88.4 Å²	88.4	68%	0.679	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-12.6	175.1	-73.6	-16.8	0	0	0	112.8	S484 L485 F489	S484-N487 WeakPolarHBondContact O-CB 3.45Å; S484-N487 PolarHBondContact O-N 3.49Å; S484-N487 VanDerWaalsContact O-N 3.14Å; L485-N487 VanDerWaalsContact C-N 3.29Å; N487-F489 WeakPolarHBondContact O-CD2 3.49Å; N487-F489 PolarHBondContact O-N 2.82Å
488	D	59.4	Low	63.2	Low	87 Å²	87	91.4 Å²	91.4	47%	0.465	49%	0.489	S	S	.	.			trans	-86.8	94.4	179.5	-163	-3.2	0	0	0	110.2	W453 L485 A486 Q490	W453-D488 WeakPolarHBondContact CH2-O 3.31Å; W453-D488 WeakPolarHBondContact CZ2-O 3.49Å; L485-D488 PolarHBondContact O-N 2.83Å; A486-D488 VanDerWaalsContact C-N 3.34Å; D488-Q490 PolarHBondContact O-N 2.76Å; D488-Q490 PolarHBondContact OD1-N 2.71Å
489	F	60.6	Low	63.4	Low	172 Å²	172	86.1 Å²	86.1	75%	0.754	46%	0.457	S	S	*	.			trans	-65.8	-1.1	-179.2	-66.6	-81.3	0	0	0	114.1	N487 I491	N487-F489 WeakPolarHBondContact O-CD2 3.49Å; N487-F489 PolarHBondContact O-N 2.82Å; F489-I491 PolarHBondContact O-N 3.04Å
490	Q	62.8	Low	63.8	Low	168 Å²	168	82 Å²	82	79%	0.785	44%	0.439	S	S	*	.			trans	-77.6	104	175.7	-70.9	-167.6	-6.9	0	0	111.5	D488	D488-Q490 PolarHBondContact O-N 2.76Å; D488-Q490 PolarHBondContact OD1-N 2.71Å
491	I	65.2	Low	64	Low	41 Å²	41	79.7 Å²	79.7	21%	0.21	43%	0.43	C	S	.	.			trans	-89.6	125.5	175.1	-48.7	170.6	0	0	0	108.9	W449 W453 F489 V493 I496	W449-I491 HydrophobicContact CB-CD1 3.36Å; W449-I491 HydrophobicContact CG-CD1 4.44Å; W453-I491 HydrophobicContact CZ2-CG1 4.17Å; F489-I491 PolarHBondContact O-N 3.04Å; I491-V493 PolarHBondContact O-N 3.29Å; I491-I496 HydrophobicContact CB-CD1 3.99Å; I491-I496 HydrophobicContact CD1-CD1 4.25Å; I491-I496 HydrophobicContact CG2-CD1 3.52Å; I491-I496 HydrophobicContact CG2-CG1 3.53Å
492	S	67.6	Low	64.3	Low	70 Å²	70	79.1 Å²	79.1	49%	0.49	42%	0.423	S	S	.	.			trans	-61.7	124.7	169.1	176.4	0	0	0	0	109.6	N494 A495 I496	S492-N494 PolarHBondContact O-N 3.03Å; S492-N494 VanDerWaalsContact O-N 3.11Å; S492-A495 WeakPolarHBondContact O-CB 3.36Å; S492-A495 PolarHBondContact O-N 2.91Å; S492-I496 PolarHBondContact O-N 3.12Å
493	V	69	Low	64.8	Low	97 Å²	97	78.6 Å²	78.6	59%	0.588	44%	0.435	S	S	*	.	H	α-helix	trans	-53.4	-34.5	177.7	178.8	0	0	0	0	111.2	I491 A495 I496 N497	I491-V493 PolarHBondContact O-N 3.29Å; V493-A495 PolarHBondContact O-N 2.94Å; V493-I496 PolarHBondContact O-N 3.07Å; V493-N497 VanDerWaalsContact O-CG 3.28Å; V493-N497 PolarHBondContact O-N 2.83Å; V493-N497 PolarHBondContact O-ND2 3.02Å
494	N	68.7	Low	65.7	Low	109 Å²	109	78.9 Å²	78.9	58%	0.583	44%	0.437	S	S	*	.	H	α-helix	trans	-63.3	-40.4	177.1	-64.2	-12.1	0	0	0	111.9	S492 I496 N497 D498	S492-N494 PolarHBondContact O-N 3.03Å; S492-N494 VanDerWaalsContact O-N 3.11Å; N494-I496 VanDerWaalsContact C-N 3.27Å; N494-I496 PolarHBondContact O-N 2.75Å; N494-N497 PolarHBondContact O-N 2.81Å; N494-D498 WeakPolarHBondContact O-CB 3.3Å; N494-D498 PolarHBondContact O-N 3.08Å
495	A	67.9	Low	67.2	Low	27 Å²	27	76.7 Å²	76.7	22%	0.223	42%	0.42	C	S	.	.	H	α-helix	trans	-70	-24.4	-179	0	0	0	0	0	113.2	S492 V493	S492-A495 WeakPolarHBondContact O-CB 3.36Å; S492-A495 PolarHBondContact O-N 2.91Å; V493-A495 PolarHBondContact O-N 2.94Å
496	I	68.6	Low	68.8	Low	36 Å²	36	72.9 Å²	72.9	19%	0.185	40%	0.4	C	S	.	.	H	α-helix	trans	-76.8	-47	170.8	-70.2	168.4	0	0	0	109.9	D448 I491 S492 V493 N494 D498 L499	D448-I496 HydrophobicContact CB-CG2 3.74Å; I491-I496 HydrophobicContact CB-CD1 3.99Å; I491-I496 HydrophobicContact CD1-CD1 4.25Å; I491-I496 HydrophobicContact CG2-CD1 3.52Å; I491-I496 HydrophobicContact CG2-CG1 3.53Å; S492-I496 PolarHBondContact O-N 3.12Å; V493-I496 PolarHBondContact O-N 3.07Å; N494-I496 VanDerWaalsContact C-N 3.27Å; N494-I496 PolarHBondContact O-N 2.75Å; I496-D498 PolarHBondContact O-N 3.05Å; I496-L499 WeakPolarHBondContact O-CB 3.46Å; I496-L499 PolarHBondContact O-N 3.48Å; I496-L499 VanDerWaalsContact O-N 3.07Å
497	N	68.7	Low	70.6	Confident	80 Å²	80	71.9 Å²	71.9	43%	0.428	39%	0.391	S	S	.	.	H	α-helix	trans	-61.3	-33	179.7	-70.5	-15.3	0	0	0	112.2	V493 N494 L499 N500	V493-N497 VanDerWaalsContact O-CG 3.28Å; V493-N497 PolarHBondContact O-N 2.83Å; V493-N497 PolarHBondContact O-ND2 3.02Å; N494-N497 PolarHBondContact O-N 2.81Å; N497-L499 PolarHBondContact O-N 3.34Å; N497-N500 PolarHBondContact O-N 2.66Å
498	D	68.6	Low	72.6	Confident	135 Å²	135	67.8 Å²	67.8	72%	0.722	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-24	176.3	-73.2	-13.4	0	0	0	113.4	N494 I496 N500	N494-D498 WeakPolarHBondContact O-CB 3.3Å; N494-D498 PolarHBondContact O-N 3.08Å; I496-D498 PolarHBondContact O-N 3.05Å; D498-N500 VanDerWaalsContact C-N 3.31Å
499	L	70.4	Confident	74.4	Confident	5 Å²	5	63.6 Å²	63.6	3%	0.026	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-24.9	174.3	-68.3	169.3	0	0	0	112.3	L451 H452 I496 N497 L501	L451-L499 HydrophobicContact CB-CD1 4.43Å; L451-L499 HydrophobicContact CD2-CD2 4.29Å; H452-L499 HydrophobicContact CB-CD1 4.11Å; I496-L499 WeakPolarHBondContact O-CB 3.46Å; I496-L499 PolarHBondContact O-N 3.48Å; I496-L499 VanDerWaalsContact O-N 3.07Å; N497-L499 PolarHBondContact O-N 3.34Å; L499-L501 HydrophobicContact CB-CD1 4.43Å; L499-L501 HydrophobicContact CB-CG 4.17Å; L499-L501 PolarHBondContact O-N 3.18Å; L499-L501 VanDerWaalsContact O-N 3.13Å
500	N	70.2	Confident	76.1	Confident	58 Å²	58	56 Å²	56	31%	0.31	31%	0.312	S	S	.	.			trans	43.8	43.4	-178.2	-167.3	27.2	0	0	0	113.8	N497 D498 Q502	N497-N500 PolarHBondContact O-N 2.66Å; D498-N500 VanDerWaalsContact C-N 3.31Å; N500-Q502 VanDerWaalsContact C-N 3.28Å
501	L	69.8	Low	77.8	Confident	6 Å²	6	48 Å²	48	3%	0.031	28%	0.275	C	S	.	.			trans	-88.1	5.7	177.4	-70.9	-177.6	0	0	0	113.5	L183 I238 W444 D448 L451 L499 G503 F506	L183-L501 HydrophobicContact CD1-CD2 3.55Å; L183-L501 HydrophobicContact CD1-CG 4.25Å; I238-L501 HydrophobicContact CG2-CD2 4.13Å; W444-L501 HydrophobicContact CH2-CD1 4.48Å; W444-L501 HydrophobicContact CZ3-CD1 4.37Å; D448-L501 WeakPolarHBondContact OD1-CB 3.44Å; L451-L501 HydrophobicContact CB-CD1 4.48Å; L451-L501 HydrophobicContact CD2-CD1 3.3Å; L499-L501 HydrophobicContact CB-CD1 4.43Å; L499-L501 HydrophobicContact CB-CG 4.17Å; L499-L501 PolarHBondContact O-N 3.18Å; L499-L501 VanDerWaalsContact O-N 3.13Å; L501-G503 PolarHBondContact O-N 2.96Å; L501-F506 HydrophobicContact CB-CD1 4.26Å; L501-F506 HydrophobicContact CD2-CB 3.44Å; L501-F506 VanDerWaalsContact CD2-CB 3.44Å; L501-F506 HydrophobicContact CD2-CD1 3.82Å; L501-F506 HydrophobicContact CD2-CD2 4.41Å; L501-F506 HydrophobicContact CD2-CG 3.63Å; L501-F506 WeakPolarHBondContact O-CD1 3.42Å; L501-F506 WeakPolarHBondContact O-CE1 3.24Å
502	Q	66.3	Low	79.2	Confident	111 Å²	111	50.4 Å²	50.4	52%	0.519	28%	0.283	S	S	.	.	S	Bend	trans	-68.9	129.3	-178.6	-66.6	-179.1	3.1	0	0	110.7	N500	N500-Q502 VanDerWaalsContact C-N 3.28Å
503	G	72.5	Confident	80.4	Confident	54 Å²	54	48.8 Å²	48.8	56%	0.557	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	-136	178.5	0	0	0	0	0	113.1	L501 N505 F506	L501-G503 PolarHBondContact O-N 2.96Å; G503-N505 VanDerWaalsContact C-N 3.35Å; G503-N505 PolarHBondContact O-N 3.35Å; G503-F506 VanDerWaalsContact O-CE1 3.28Å; G503-F506 WeakPolarHBondContact O-CE1 3.4Å
504	D	80.8	Confident	81.4	Confident	94 Å²	94	52.9 Å²	52.9	50%	0.503	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	31.1	-173.1	-59.4	-25.3	0	0	0	112.2	L241 R263 T287 F506	L241-D504 WeakPolarHBondContact CD1-O 3.39Å; R263-D504 PolarHBondContact NH2-O 3.42Å; T287-D504 WeakPolarHBondContact CB-O 3.49Å; D504-F506 VanDerWaalsContact C-N 3.35Å
505	N	87	Confident	82.2	Confident	19 Å²	19	49.4 Å²	49.4	10%	0.102	26%	0.258	C	S	.	.	S	Bend	trans	-90.8	9.6	-176.8	-80.8	-13.5	0	0	0	114.7	L241 D244 R263 G503	L241-N505 PolarHBondContact N-O 2.86Å; D244-N505 PolarHBondContact OD1-OD1 3.37Å; R263-N505 PolarHBondContact NH2-OD1 2.99Å; G503-N505 VanDerWaalsContact C-N 3.35Å; G503-N505 PolarHBondContact O-N 3.35Å
506	F	91.1	Very high	83	Confident	13 Å²	13	51.2 Å²	51.2	6%	0.057	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	171	177.7	71	-87.8	0	0	0	111.3	V239 T287 G288 W444 L501 G503 D504	V239-F506 CarbonylContact O-C 3.58Å; V239-F506 WeakPolarHBondContact O-CA 3.32Å; T287-F506 CarbonylContact C-O 3.56Å; G288-F506 PolarHBondContact N-O 3Å; G288-F506 WeakPolarHBondContact O-CZ 3.23Å; W444-F506 HydrophobicContact CD2-CE2 4.26Å; W444-F506 HydrophobicContact CE3-CD2 4.06Å; W444-F506 AromaticContact CE3-CE2 3.23Å; W444-F506 HydrophobicContact CE3-CE2 3.23Å; W444-F506 AromaticContact CE3-CZ 3.52Å; W444-F506 HydrophobicContact CE3-CZ 3.52Å; W444-F506 HydrophobicContact CZ3-CD2 4.05Å; W444-F506 AromaticContact CZ3-CE2 3.66Å; W444-F506 HydrophobicContact CZ3-CE2 3.66Å; W444-F506 AromaticContact CZ3-CZ 3.98Å; W444-F506 HydrophobicContact CZ3-CZ 3.98Å; L501-F506 HydrophobicContact CB-CD1 4.26Å; L501-F506 HydrophobicContact CD2-CB 3.44Å; L501-F506 VanDerWaalsContact CD2-CB 3.44Å; L501-F506 HydrophobicContact CD2-CD1 3.82Å; L501-F506 HydrophobicContact CD2-CD2 4.41Å; L501-F506 HydrophobicContact CD2-CG 3.63Å; L501-F506 WeakPolarHBondContact O-CD1 3.42Å; L501-F506 WeakPolarHBondContact O-CE1 3.24Å; G503-F506 VanDerWaalsContact O-CE1 3.28Å; G503-F506 WeakPolarHBondContact O-CE1 3.4Å; D504-F506 VanDerWaalsContact C-N 3.35Å
507	A	94	Very high	84	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	131.9	163.7	0	0	0	0	0	109.4	V239 L265 V285 V509	V239-A507 PolarHBondContact N-O 3.26Å; V239-A507 PolarHBondContact O-N 3.01Å; L265-A507 HydrophobicContact CD1-CB 3.88Å; L265-A507 HydrophobicContact CG-CB 4.45Å; V285-A507 HydrophobicContact CG1-CB 3.69Å; A507-V509 HydrophobicContact CB-CG2 4.44Å
508	Y	94.8	Very high	85.2	Confident	41 Å²	41	47.8 Å²	47.8	16%	0.161	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	105.1	174.4	179.8	-147	0	0	0	109.3	A236 L237 I238 K289 L290 N291 W444 V510	A236-Y508 HydrophobicContact CB-CE2 3.79Å; L237-Y508 WeakPolarHBondContact O-CD2 3.46Å; I238-Y508 HydrophobicContact CG1-CD2 3.73Å; I238-Y508 HydrophobicContact CG1-CE2 4.17Å; I238-Y508 HydrophobicContact CG1-CG 4.48Å; K289-Y508 PolarHBondContact O-N 2.98Å; L290-Y508 CarbonylContact C-O 3.59Å; L290-Y508 WeakPolarHBondContact CA-O 3.31Å; L290-Y508 HydrophobicContact CB-CD1 3.94Å; L290-Y508 HydrophobicContact CD1-CD1 3.32Å; L290-Y508 HydrophobicContact CD1-CE1 3.5Å; L290-Y508 VanDerWaalsContact CD1-CE1 3.5Å; L290-Y508 HydrophobicContact CD1-CG 4.01Å; L290-Y508 HydrophobicContact CG-CD1 4.1Å; L290-Y508 HydrophobicContact CG-CE1 4.43Å; N291-Y508 PolarHBondContact N-O 2.98Å; W444-Y508 AromaticContact CD1-CD1 3.44Å; W444-Y508 VanDerWaalsContact CD1-CD1 3.44Å; W444-Y508 AromaticContact CD1-CE1 3.81Å; W444-Y508 HydrophobicContact CD2-CD1 4.06Å; W444-Y508 HydrophobicContact CD2-CG 4.42Å; W444-Y508 AromaticContact CE2-CD1 3.84Å; W444-Y508 AromaticContact CG-CD1 3.8Å; W444-Y508 HydrophobicContact CG-CD1 3.8Å; W444-Y508 AromaticContact NE1-CD1 3.47Å; W444-Y508 AromaticContact NE1-CE1 3.59Å; Y508-V510 HydrophobicContact CD2-CG2 4.38Å; Y508-V510 HydrophobicContact CE1-CG2 3.98Å; Y508-V510 HydrophobicContact CE2-CG2 3.83Å
509	V	97.4	Very high	86.4	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122	-174.7	-177.1	0	0	0	0	109.6	L104 A236 L237 L265 V285 N291 I293 A507	L104-V509 HydrophobicContact CD2-CG1 4.39Å; A236-V509 CarbonylContact C-O 3.32Å; A236-V509 VanDerWaalsContact CA-O 3.3Å; A236-V509 WeakPolarHBondContact CA-O 3.25Å; L237-V509 PolarHBondContact N-O 3.07Å; L237-V509 PolarHBondContact O-N 3.33Å; L265-V509 HydrophobicContact CD1-CG2 4.17Å; V285-V509 HydrophobicContact CG1-CG2 3.72Å; V285-V509 HydrophobicContact CG2-CG2 4.31Å; N291-V509 WeakPolarHBondContact O-CA 3.5Å; I293-V509 HydrophobicContact CD1-CG1 3.86Å; A507-V509 HydrophobicContact CB-CG2 4.44Å
510	V	97.5	Very high	87.6	Confident	12 Å²	12	45 Å²	45	7%	0.073	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.8	177	178.8	0	0	0	0	108.9	T234 I235 A236 L290 N291 E292 I293 Y508 K512	T234-V510 HydrophobicContact CG2-CG1 3.8Å; I235-V510 CarbonylContact O-C 3.55Å; A236-V510 HydrophobicContact CB-CG2 3.92Å; L290-V510 HydrophobicContact CD1-CB 4.2Å; L290-V510 HydrophobicContact CD1-CG2 3.42Å; L290-V510 VanDerWaalsContact CD1-CG2 3.42Å; N291-V510 PolarHBondContact O-N 3.26Å; E292-V510 CarbonylContact C-O 3.53Å; E292-V510 WeakPolarHBondContact CA-O 3.49Å; E292-V510 HydrophobicContact CB-CB 4.42Å; E292-V510 HydrophobicContact CG-CB 4.35Å; E292-V510 HydrophobicContact CG-CG1 4.32Å; I293-V510 PolarHBondContact N-O 3.31Å; Y508-V510 HydrophobicContact CD2-CG2 4.38Å; Y508-V510 HydrophobicContact CE1-CG2 3.98Å; Y508-V510 HydrophobicContact CE2-CG2 3.83Å; V510-K512 HydrophobicContact CG1-CB 4.48Å
511	L	97.5	Very high	88.9	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	117.7	172	179.8	63.1	0	0	0	109.6	F101 P102 L104 T234 I235 V269 I293 Y295	F101-L511 HydrophobicContact CE1-CD2 3.74Å; F101-L511 HydrophobicContact CE1-CG 4.33Å; F101-L511 HydrophobicContact CZ-CB 4.29Å; F101-L511 HydrophobicContact CZ-CD2 3.73Å; F101-L511 HydrophobicContact CZ-CG 3.8Å; P102-L511 HydrophobicContact CG-CD2 4.11Å; L104-L511 HydrophobicContact CB-CD2 3.84Å; L104-L511 HydrophobicContact CD1-CD2 4.29Å; L104-L511 HydrophobicContact CD2-CB 4.24Å; L104-L511 HydrophobicContact CD2-CD2 4.21Å; L104-L511 HydrophobicContact CG-CD2 4.33Å; T234-L511 WeakPolarHBondContact CA-O 3.5Å; I235-L511 PolarHBondContact N-O 3.49Å; I235-L511 PolarHBondContact O-N 2.54Å; V269-L511 HydrophobicContact CG1-CD1 4.25Å; V269-L511 HydrophobicContact CG2-CD1 3.73Å; I293-L511 HydrophobicContact CB-CD1 3.99Å; I293-L511 HydrophobicContact CG2-CD1 3.82Å; I293-L511 WeakPolarHBondContact O-CA 3.46Å; Y295-L511 HydrophobicContact CD1-CD1 3.62Å; Y295-L511 HydrophobicContact CD1-CG 4.07Å; Y295-L511 HydrophobicContact CE1-CD1 4.3Å; Y295-L511 HydrophobicContact CE1-CG 4.25Å; Y295-L511 HydrophobicContact CG-CD1 4.49Å
512	K	94.7	Very high	90.2	Very high	91 Å²	91	45 Å²	45	40%	0.396	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	144.1	-174.9	-176.7	179.7	172.4	-168.5	0	111.4	T234 I293 N294 Y295 V510	T234-K512 HydrophobicContact CG2-CB 4.29Å; I293-K512 PolarHBondContact O-N 2.89Å; N294-K512 WeakPolarHBondContact CA-O 3.4Å; Y295-K512 WeakPolarHBondContact CD1-O 3.35Å; Y295-K512 PolarHBondContact N-O 3.36Å; V510-K512 HydrophobicContact CG1-CB 4.48Å
513	R	92.2	Very high	91.6	Very high	37 Å²	37	41 Å²	41	14%	0.14	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	132.7	172.8	-163.5	-179.8	-68.3	177.2	-1.3	110.6	S99 N233 Y295 A515	S99-R513 PolarHBondContact O-NH2 3.48Å; S99-R513 PolarHBondContact OG-NH1 3.35Å; S99-R513 PolarHBondContact OG-NH2 3.4Å; N233-R513 PolarHBondContact O-N 3.25Å; Y295-R513 HydrophobicContact CD2-CG 4.43Å; Y295-R513 HydrophobicContact CE1-CB 3.94Å; Y295-R513 HydrophobicContact CE2-CB 4.11Å; Y295-R513 HydrophobicContact CE2-CG 3.78Å; Y295-R513 PolarHBondContact OH-NE 3.23Å; Y295-R513 VanDerWaalsContact OH-NE 3.12Å; R513-A515 WeakPolarHBondContact CD-O 3.47Å; R513-A515 WeakPolarHBondContact CG-O 3.18Å
514	R	90.2	Very high	92.6	Very high	183 Å²	183	43.3 Å²	43.3	69%	0.691	20%	0.204	S	C	*	.	S	Bend	trans	-67.5	-44	179	-175.4	178.2	177.5	173.1	-0.3	112.8	Y295	Y295-R514 WeakPolarHBondContact O-CB 3.38Å; Y295-R514 PolarHBondContact O-N 3.44Å
515	A	85.7	Confident	93.2	Very high	36 Å²	36	41.6 Å²	41.6	30%	0.298	20%	0.195	S	C	.	.			trans	-147.2	156.3	179.2	0	0	0	0	0	110.3	R513 D517	R513-A515 WeakPolarHBondContact CD-O 3.47Å; R513-A515 WeakPolarHBondContact CG-O 3.18Å; A515-D517 PolarHBondContact O-N 2.84Å
516	S	84.8	Confident	93.4	Very high	65 Å²	65	44.2 Å²	44.2	46%	0.455	21%	0.211	S	C	.	.	S	Bend	trans	-66.4	-18.9	176	-62.1	0	0	0	0	113.1
517	D	90.3	Very high	93.4	Very high	42 Å²	42	44.4 Å²	44.4	23%	0.225	21%	0.213	C	C	.	.			trans	-75.6	154.1	-173.8	-48.7	-34.5	0	0	0	112.8	V93 L95 D96 Q296 A515	V93-D517 HydrophobicContact CG1-CB 3.56Å; L95-D517 WeakPolarHBondContact CA-OD1 3.27Å; L95-D517 HydrophobicContact CD2-CB 4.41Å; D96-D517 PolarHBondContact N-OD1 2.84Å; D96-D517 VanDerWaalsContact N-OD1 3.13Å; Q296-D517 PolarHBondContact NE2-O 2.83Å; A515-D517 PolarHBondContact O-N 2.84Å
518	V	92.9	Very high	93.4	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.012	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.6	176.2	-179	0	0	0	0	109.1	E94 A97 P297 L299 Y433 V520	E94-V518 PolarHBondContact N-O 2.95Å; E94-V518 PolarHBondContact O-N 3.06Å; A97-V518 HydrophobicContact CB-CB 4.07Å; A97-V518 HydrophobicContact CB-CG2 3.85Å; A97-V518 VanDerWaalsContact O-CG2 3.24Å; A97-V518 WeakPolarHBondContact O-CG2 3.34Å; P297-V518 HydrophobicContact CG-CG2 4.21Å; L299-V518 HydrophobicContact CB-CG1 4Å; Y433-V518 HydrophobicContact CE1-CG1 4.36Å; V518-V520 HydrophobicContact CG1-CG2 4.25Å
519	R	94.8	Very high	93.3	Very high	82 Å²	82	48.3 Å²	48.3	31%	0.309	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	125.1	170.8	-178.7	177.3	172.4	175	0.8	108.4	I91 P297 V298 L299	I91-R519 HydrophobicContact CG2-CG 3.89Å; I91-R519 VanDerWaalsContact CG2-NE 3.26Å; P297-R519 PolarHBondContact O-N 3.09Å; V298-R519 CarbonylContact C-O 3.52Å; V298-R519 VanDerWaalsContact CA-O 3.23Å; V298-R519 WeakPolarHBondContact CA-O 3.28Å; V298-R519 HydrophobicContact CG1-CG 4.45Å; V298-R519 HydrophobicContact CG2-CB 4.24Å; L299-R519 PolarHBondContact N-O 2.86Å
520	V	96.3	Very high	93.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	117	179.6	-178.1	0	0	0	0	109.5	I91 H92 E94 L299 K301 V518 Q522	I91-V520 WeakPolarHBondContact CA-O 3.43Å; H92-V520 WeakPolarHBondContact CE1-CG1 3.39Å; H92-V520 PolarHBondContact N-O 3.15Å; H92-V520 PolarHBondContact ND1-O 3Å; H92-V520 PolarHBondContact O-N 2.97Å; E94-V520 HydrophobicContact CB-CG2 4.32Å; E94-V520 VanDerWaalsContact CD-CG2 3.47Å; E94-V520 HydrophobicContact CG-CG2 3.7Å; L299-V520 HydrophobicContact CB-CG2 4.29Å; L299-V520 HydrophobicContact CD2-CG2 4.45Å; L299-V520 WeakPolarHBondContact O-CA 3.38Å; K301-V520 HydrophobicContact CD-CG1 3.73Å; K301-V520 HydrophobicContact CG-CG1 4.25Å; V518-V520 HydrophobicContact CG1-CG2 4.25Å; V520-Q522 HydrophobicContact CG1-CB 4.43Å
521	S	96.3	Very high	92.9	Very high	4 Å²	4	54 Å²	54	3%	0.028	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	99.4	173.3	-66.1	0	0	0	0	108.3	L299 K301	L299-S521 PolarHBondContact O-N 2.78Å; K301-S521 PolarHBondContact N-O 3.1Å
522	Q	96.4	Very high	92.7	Very high	58 Å²	58	54.5 Å²	54.5	27%	0.271	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	123.2	-177.1	180	176.5	-7.8	0	0	111.6	N90 K301 V520 K524	N90-Q522 PolarHBondContact N-O 2.91Å; N90-Q522 PolarHBondContact O-N 3.29Å; K301-Q522 HydrophobicContact CB-CB 4.13Å; K301-Q522 HydrophobicContact CB-CG 4.04Å; K301-Q522 HydrophobicContact CD-CB 4.48Å; V520-Q522 HydrophobicContact CG1-CB 4.43Å; Q522-K524 HydrophobicContact CG-CG 4.25Å
523	E	95.8	Very high	92.6	Very high	29 Å²	29	55.5 Å²	55.5	14%	0.136	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	131.6	169.8	-71.5	170.3	-171.8	0	0	110.3	V87 S88 V89 K301 R302 L303	V87-E523 HydrophobicContact CB-CB 4.49Å; S88-E523 WeakPolarHBondContact O-CA 3.38Å; V89-E523 HydrophobicContact CG2-CG 4.11Å; K301-E523 PolarHBondContact O-N 3.15Å; R302-E523 WeakPolarHBondContact CA-OE2 3.38Å; R302-E523 VanDerWaalsContact CB-OE2 3.31Å; R302-E523 WeakPolarHBondContact CB-OE2 3.08Å; L303-E523 HydrophobicContact CB-CB 3.92Å; L303-E523 PolarHBondContact N-OE2 2.81Å
524	K	93.8	Very high	92.7	Very high	101 Å²	101	57.8 Å²	57.8	44%	0.439	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	149.7	172.5	-61.4	-170.5	-175.2	175.1	0	109.2	V87 S88 N90 Q522 V526	V87-K524 CarbonylContact C-O 3.55Å; V87-K524 WeakPolarHBondContact CA-O 3.13Å; S88-K524 PolarHBondContact N-O 3.36Å; S88-K524 PolarHBondContact O-N 2.89Å; N90-K524 WeakPolarHBondContact ND2-CD 3.33Å; Q522-K524 HydrophobicContact CG-CG 4.25Å; K524-V526 PolarHBondContact O-N 2.92Å
525	L	93.3	Very high	93	Very high	59 Å²	59	55.4 Å²	55.4	31%	0.309	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	131.9	172.7	-66	170.8	0	0	0	109.8	Y85 V87 L303 T305 L527	Y85-L525 HydrophobicContact CD1-CD2 4.2Å; V87-L525 HydrophobicContact CG1-CD2 4.35Å; L303-L525 HydrophobicContact CD2-CD1 4.43Å; L303-L525 HydrophobicContact CD2-CD2 3.56Å; L303-L525 HydrophobicContact CD2-CG 3.52Å; T305-L525 HydrophobicContact CG2-CD2 4.35Å; L525-L527 VanDerWaalsContact C-N 3.29Å
526	V	92.2	Very high	93.4	Very high	73 Å²	73	55.5 Å²	55.5	44%	0.442	30%	0.296	S	S	.	.	S	Bend	trans	-62.6	-42.9	171.3	175.7	0	0	0	0	109.8	D86 K524	D86-V526 HydrophobicContact CB-CB 4.5Å; D86-V526 HydrophobicContact CB-CG2 4.29Å; D86-V526 PolarHBondContact O-N 3.26Å; K524-V526 PolarHBondContact O-N 2.92Å
527	L	91.3	Very high	93.7	Very high	17 Å²	17	54.3 Å²	54.3	9%	0.089	29%	0.293	C	S	.	.	S	Bend	trans	-118.3	96.2	178.1	-168.5	62.1	0	0	0	110.1	L78 Y82 L525 V531 L532	L78-L527 HydrophobicContact CD1-CD2 3.96Å; L78-L527 HydrophobicContact CG-CD2 4.35Å; Y82-L527 HydrophobicContact CD2-CB 4.49Å; Y82-L527 HydrophobicContact CD2-CD2 4.32Å; Y82-L527 HydrophobicContact CD2-CG 4.14Å; Y82-L527 WeakPolarHBondContact CD2-O 3.27Å; Y82-L527 WeakPolarHBondContact CE2-O 3.41Å; L525-L527 VanDerWaalsContact C-N 3.29Å; L527-V531 HydrophobicContact CD1-CB 3.91Å; L527-V531 HydrophobicContact CD1-CG1 3.49Å; L527-V531 VanDerWaalsContact CD1-CG1 3.49Å; L527-L532 HydrophobicContact CD2-CD1 4.22Å; L527-L532 HydrophobicContact CG-CB 4.39Å
528	S	92.6	Very high	93.9	Very high	32 Å²	32	53.9 Å²	53.9	22%	0.224	30%	0.299	C	S	.	.			trans	-74.6	163	171	70.1	0	0	0	0	111.2	S530 V531 L532	S528-S530 PolarHBondContact O-N 3.19Å; S528-S530 PolarHBondContact OG-OG 2.69Å; S528-V531 PolarHBondContact O-N 3.5Å; S528-V531 VanDerWaalsContact O-N 3.11Å; S528-V531 WeakPolarHBondContact OG-CG2 3.37Å; S528-V531 PolarHBondContact OG-N 2.8Å; S528-L532 PolarHBondContact O-N 3.27Å
529	I	92.5	Very high	93.9	Very high	92 Å²	92	56.3 Å²	56.3	47%	0.472	31%	0.312	S	S	.	.	H	α-helix	trans	-57.5	-35.9	174.8	-173	58.1	0	0	0	112.5	L532 L533	I529-L532 HydrophobicContact CD1-CD2 4.09Å; I529-L532 PolarHBondContact O-N 2.83Å; I529-L533 HydrophobicContact CD1-CD1 4.48Å; I529-L533 HydrophobicContact CD1-CG 4.32Å; I529-L533 HydrophobicContact CG1-CD1 4.21Å; I529-L533 HydrophobicContact CG1-CG 4.49Å; I529-L533 WeakPolarHBondContact O-CB 3.45Å; I529-L533 VanDerWaalsContact O-CG 3.31Å; I529-L533 WeakPolarHBondContact O-CG 3.34Å; I529-L533 PolarHBondContact O-N 2.92Å
530	S	93.9	Very high	93.8	Very high	79 Å²	79	53.4 Å²	53.4	55%	0.552	30%	0.304	S	S	*	.	H	α-helix	trans	-67.3	-40.1	176.9	53.4	0	0	0	0	112.2	S528 S534	S528-S530 PolarHBondContact O-N 3.19Å; S528-S530 PolarHBondContact OG-OG 2.69Å; S530-S534 VanDerWaalsContact O-CB 3.27Å; S530-S534 WeakPolarHBondContact O-CB 3.4Å; S530-S534 PolarHBondContact O-N 3.33Å
531	V	93	Very high	93.5	Very high	51 Å²	51	55.7 Å²	55.7	31%	0.309	32%	0.32	S	S	.	.	H	α-helix	trans	-70.1	-39.3	176	179.1	0	0	0	0	110.6	L527 S528 S534 R535	L527-V531 HydrophobicContact CD1-CB 3.91Å; L527-V531 HydrophobicContact CD1-CG1 3.49Å; L527-V531 VanDerWaalsContact CD1-CG1 3.49Å; S528-V531 PolarHBondContact O-N 3.5Å; S528-V531 VanDerWaalsContact O-N 3.11Å; S528-V531 WeakPolarHBondContact OG-CG2 3.37Å; S528-V531 PolarHBondContact OG-N 2.8Å; V531-S534 PolarHBondContact O-N 2.68Å; V531-R535 HydrophobicContact CG1-CG 4.35Å; V531-R535 WeakPolarHBondContact O-CB 3.5Å; V531-R535 WeakPolarHBondContact O-CG 3.34Å; V531-R535 PolarHBondContact O-N 3.02Å
532	L	93.9	Very high	93.3	Very high	11 Å²	11	61.8 Å²	61.8	6%	0.058	35%	0.351	C	S	.	.	H	α-helix	trans	-57.6	-54.6	174	178.3	67.3	0	0	0	111.1	L78 Y82 L527 S528 I529 S534 R535 I536	L78-L532 HydrophobicContact CD2-CD1 3.78Å; L78-L532 HydrophobicContact CG-CD1 3.68Å; Y82-L532 HydrophobicContact CD1-CD2 3.76Å; Y82-L532 HydrophobicContact CD2-CB 4.3Å; Y82-L532 HydrophobicContact CD2-CD2 3.95Å; Y82-L532 HydrophobicContact CE1-CD2 4.11Å; Y82-L532 HydrophobicContact CE2-CD2 4.31Å; Y82-L532 HydrophobicContact CG-CD2 3.66Å; L527-L532 HydrophobicContact CD2-CD1 4.22Å; L527-L532 HydrophobicContact CG-CB 4.39Å; S528-L532 PolarHBondContact O-N 3.27Å; I529-L532 HydrophobicContact CD1-CD2 4.09Å; I529-L532 PolarHBondContact O-N 2.83Å; L532-S534 VanDerWaalsContact C-N 3.31Å; L532-S534 PolarHBondContact O-N 2.73Å; L532-R535 PolarHBondContact O-N 3.15Å; L532-I536 HydrophobicContact CD1-CD1 3.82Å; L532-I536 HydrophobicContact CD1-CG1 4.23Å; L532-I536 HydrophobicContact CG-CD1 3.86Å; L532-I536 WeakPolarHBondContact O-CG1 3.35Å; L532-I536 PolarHBondContact O-N 2.57Å
533	L	92.9	Very high	93	Very high	112 Å²	112	59.7 Å²	59.7	59%	0.586	34%	0.343	S	S	*	.	H	α-helix	trans	-61.1	-39.6	-179.8	-71.3	173.8	0	0	0	112.1	I529 G537	I529-L533 HydrophobicContact CD1-CD1 4.48Å; I529-L533 HydrophobicContact CD1-CG 4.32Å; I529-L533 HydrophobicContact CG1-CD1 4.21Å; I529-L533 HydrophobicContact CG1-CG 4.49Å; I529-L533 WeakPolarHBondContact O-CB 3.45Å; I529-L533 VanDerWaalsContact O-CG 3.31Å; I529-L533 WeakPolarHBondContact O-CG 3.34Å; I529-L533 PolarHBondContact O-N 2.92Å; L533-G537 PolarHBondContact O-N 2.98Å
534	S	94.3	Very high	92.6	Very high	86 Å²	86	59 Å²	59	60%	0.601	34%	0.34	S	S	*	.	H	α-helix	trans	-62.3	-46.1	175.5	-179.3	0	0	0	0	112	S530 V531 L532 G537 G538	S530-S534 VanDerWaalsContact O-CB 3.27Å; S530-S534 WeakPolarHBondContact O-CB 3.4Å; S530-S534 PolarHBondContact O-N 3.33Å; V531-S534 PolarHBondContact O-N 2.68Å; L532-S534 VanDerWaalsContact C-N 3.31Å; L532-S534 PolarHBondContact O-N 2.73Å; S534-G537 PolarHBondContact O-N 2.85Å; S534-G538 PolarHBondContact O-N 3.45Å
535	R	94.9	Very high	92.3	Very high	132 Å²	132	54.6 Å²	54.6	50%	0.498	32%	0.324	S	S	.	.	H	α-helix	trans	-66.2	-44.1	178.2	-74.3	-178.9	-176.5	-166.1	3.4	112.2	L78 V531 L532 G538 L539	L78-R535 HydrophobicContact CD2-CB 3.57Å; V531-R535 HydrophobicContact CG1-CG 4.35Å; V531-R535 WeakPolarHBondContact O-CB 3.5Å; V531-R535 WeakPolarHBondContact O-CG 3.34Å; V531-R535 PolarHBondContact O-N 3.02Å; L532-R535 PolarHBondContact O-N 3.15Å; R535-G538 PolarHBondContact O-N 2.9Å; R535-L539 VanDerWaalsContact O-CG 3.3Å; R535-L539 WeakPolarHBondContact O-CG 3.49Å; R535-L539 PolarHBondContact O-N 3.29Å
536	I	94.1	Very high	91.9	Very high	39 Å²	39	54.1 Å²	54.1	20%	0.2	32%	0.321	C	S	.	.	H	α-helix	trans	-61.3	-46.5	174.7	-66.1	175.7	0	0	0	110.1	T75 L78 V79 L532 G538 L539 C540	T75-I536 HydrophobicContact CG2-CD1 4.06Å; T75-I536 HydrophobicContact CG2-CG1 4.15Å; T75-I536 HydrophobicContact CG2-CG2 4.39Å; L78-I536 HydrophobicContact CD2-CG1 3.91Å; V79-I536 HydrophobicContact CG2-CD1 4.42Å; L532-I536 HydrophobicContact CD1-CD1 3.82Å; L532-I536 HydrophobicContact CD1-CG1 4.23Å; L532-I536 HydrophobicContact CG-CD1 3.86Å; L532-I536 WeakPolarHBondContact O-CG1 3.35Å; L532-I536 PolarHBondContact O-N 2.57Å; I536-G538 VanDerWaalsContact C-N 3.32Å; I536-G538 PolarHBondContact O-N 2.64Å; I536-L539 PolarHBondContact O-N 2.76Å; I536-C540 WeakPolarHBondContact O-CB 3.37Å; I536-C540 PolarHBondContact O-N 3.41Å; I536-C540 PolarHBondContact O-SG 3.24Å; I536-C540 VanDerWaalsContact O-SG 3.32Å
537	G	92.5	Very high	91.7	Very high	39 Å²	39	54 Å²	54	40%	0.402	32%	0.321	S	S	.	.	H	α-helix	trans	-59.3	-41.8	176.6	0	0	0	0	0	112.8	L533 S534 C540 S541	L533-G537 PolarHBondContact O-N 2.98Å; S534-G537 PolarHBondContact O-N 2.85Å; G537-C540 PolarHBondContact O-N 3.32Å; G537-S541 WeakPolarHBondContact O-CB 3.28Å; G537-S541 PolarHBondContact O-N 3.41Å
538	G	93.6	Very high	91.4	Very high	33 Å²	33	57.4 Å²	57.4	34%	0.34	35%	0.351	S	S	.	.	H	α-helix	trans	-61.9	-46.5	173.4	0	0	0	0	0	112.7	S534 R535 I536 S541 L542	S534-G538 PolarHBondContact O-N 3.45Å; R535-G538 PolarHBondContact O-N 2.9Å; I536-G538 VanDerWaalsContact C-N 3.32Å; I536-G538 PolarHBondContact O-N 2.64Å; G538-S541 PolarHBondContact O-N 3.11Å; G538-L542 WeakPolarHBondContact O-CB 3.44Å; G538-L542 VanDerWaalsContact O-CG 3.3Å; G538-L542 WeakPolarHBondContact O-CG 3.47Å; G538-L542 PolarHBondContact O-N 3.39Å
539	L	93.5	Very high	91.1	Very high	54 Å²	54	58 Å²	58	28%	0.283	36%	0.358	S	S	.	.	H	α-helix	trans	-61.6	-45.3	176.6	-71.7	170.1	0	0	0	111.6	L71 L78 R535 I536 S541 L542 S543	L71-L539 HydrophobicContact CD1-CB 3.63Å; L78-L539 HydrophobicContact CD2-CD1 4.46Å; R535-L539 VanDerWaalsContact O-CG 3.3Å; R535-L539 WeakPolarHBondContact O-CG 3.49Å; R535-L539 PolarHBondContact O-N 3.29Å; I536-L539 PolarHBondContact O-N 2.76Å; L539-S541 PolarHBondContact O-N 3.13Å; L539-L542 PolarHBondContact O-N 3.4Å; L539-S543 VanDerWaalsContact O-CB 3.29Å; L539-S543 WeakPolarHBondContact O-CB 3.41Å; L539-S543 PolarHBondContact O-N 3.11Å; L539-S543 PolarHBondContact O-OG 3.1Å
540	C	92.1	Very high	90.8	Very high	20 Å²	20	56.4 Å²	56.4	14%	0.135	35%	0.348	C	S	.	.	H	α-helix	trans	-59.6	-44.2	176.4	-74.4	0	0	0	0	112.3	I536 G537 S543 I544 G545 L546	I536-C540 WeakPolarHBondContact O-CB 3.37Å; I536-C540 PolarHBondContact O-N 3.41Å; I536-C540 PolarHBondContact O-SG 3.24Å; I536-C540 VanDerWaalsContact O-SG 3.32Å; G537-C540 PolarHBondContact O-N 3.32Å; C540-S543 PolarHBondContact O-OG 3.35Å; C540-I544 PolarHBondContact O-N 3.03Å; C540-G545 PolarHBondContact O-N 3.41Å; C540-L546 CarbonylContact C-O 3.58Å; C540-L546 HydrophobicContact CB-CB 4.19Å; C540-L546 HydrophobicContact CB-CD2 4.37Å; C540-L546 WeakPolarHBondContact CB-O 3.33Å; C540-L546 PolarHBondContact O-N 2.93Å
541	S	91.4	Very high	90.4	Very high	48 Å²	48	57.9 Å²	57.9	34%	0.336	35%	0.348	S	S	.	.	H	α-helix	trans	-68.5	-38.2	179	-176.9	0	0	0	0	112.9	R44 G537 G538 L539 G545	R44-S541 PolarHBondContact NH1-O 3.27Å; G537-S541 WeakPolarHBondContact O-CB 3.28Å; G537-S541 PolarHBondContact O-N 3.41Å; G538-S541 PolarHBondContact O-N 3.11Å; L539-S541 PolarHBondContact O-N 3.13Å; S541-G545 WeakPolarHBondContact O-CA 3.42Å; S541-G545 PolarHBondContact O-N 3.3Å
542	L	90.3	Very high	90.3	Very high	132 Å²	132	60 Å²	60	69%	0.691	36%	0.362	S	S	*	.	H	α-helix	trans	-74.2	-41.6	179.2	-73.8	170.6	0	0	0	112.8	G538 L539	G538-L542 WeakPolarHBondContact O-CB 3.44Å; G538-L542 VanDerWaalsContact O-CG 3.3Å; G538-L542 WeakPolarHBondContact O-CG 3.47Å; G538-L542 PolarHBondContact O-N 3.39Å; L539-L542 PolarHBondContact O-N 3.4Å
543	S	90.3	Very high	90.1	Very high	15 Å²	15	60.6 Å²	60.6	11%	0.105	36%	0.364	C	S	.	.	H	α-helix	trans	-77.1	-68.3	-174.3	54.5	0	0	0	0	112.4	L539 C540	L539-S543 VanDerWaalsContact O-CB 3.29Å; L539-S543 WeakPolarHBondContact O-CB 3.41Å; L539-S543 PolarHBondContact O-N 3.11Å; L539-S543 PolarHBondContact O-OG 3.1Å; C540-S543 PolarHBondContact O-OG 3.35Å
544	I	88.1	Confident	89.8	Confident	14 Å²	14	59 Å²	59	7%	0.072	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-11.3	-169.5	-53	176.8	0	0	0	110.6	I43 R44 T68 L71 C540 L546	I43-I544 HydrophobicContact CB-CG2 3.98Å; I43-I544 HydrophobicContact CD1-CG2 4.39Å; I43-I544 HydrophobicContact CG1-CG2 3.86Å; I43-I544 HydrophobicContact CG2-CG2 3.18Å; R44-I544 WeakPolarHBondContact CB-O 3.37Å; R44-I544 PolarHBondContact N-O 2.91Å; T68-I544 HydrophobicContact CG2-CD1 4Å; T68-I544 WeakPolarHBondContact OG1-CD1 3.39Å; L71-I544 HydrophobicContact CB-CD1 4.45Å; L71-I544 HydrophobicContact CD2-CD1 3.5Å; L71-I544 HydrophobicContact CD2-CG1 4.09Å; C540-I544 PolarHBondContact O-N 3.03Å; I544-L546 VanDerWaalsContact C-N 3.31Å
545	G	87.3	Confident	89.6	Confident	9 Å²	9	59.9 Å²	59.9	9%	0.093	35%	0.353	C	S	.	.			trans	75.5	21.9	-173.3	0	0	0	0	0	113	C540 S541	C540-G545 PolarHBondContact O-N 3.41Å; S541-G545 WeakPolarHBondContact O-CA 3.42Å; S541-G545 PolarHBondContact O-N 3.3Å
546	L	85.9	Confident	89.4	Confident	48 Å²	48	57.1 Å²	57.1	25%	0.251	35%	0.345	S	S	.	.			trans	-77.7	126.8	-176.7	-169	143.1	0	0	0	109.9	C540 I544 F550	C540-L546 CarbonylContact C-O 3.58Å; C540-L546 HydrophobicContact CB-CB 4.19Å; C540-L546 HydrophobicContact CB-CD2 4.37Å; C540-L546 WeakPolarHBondContact CB-O 3.33Å; C540-L546 PolarHBondContact O-N 2.93Å; I544-L546 VanDerWaalsContact C-N 3.31Å; L546-F550 HydrophobicContact CD1-CB 4.28Å; L546-F550 HydrophobicContact CD1-CD1 4.19Å; L546-F550 HydrophobicContact CD1-CD2 3.73Å; L546-F550 HydrophobicContact CD1-CE1 4.5Å; L546-F550 HydrophobicContact CD1-CE2 4.05Å; L546-F550 HydrophobicContact CD1-CG 3.79Å; L546-F550 HydrophobicContact CD1-CZ 4.43Å; L546-F550 HydrophobicContact CD2-CB 4.2Å; L546-F550 HydrophobicContact CD2-CG 4.4Å; L546-F550 HydrophobicContact CG-CB 3.93Å; L546-F550 HydrophobicContact CG-CD2 4.24Å; L546-F550 HydrophobicContact CG-CG 4.01Å
547	T	88.1	Confident	89	Confident	72 Å²	72	56.8 Å²	56.8	44%	0.442	34%	0.342	S	S	.	.			trans	-125.7	177	178.4	68.1	0	0	0	0	110	A549 F550	T547-A549 PolarHBondContact O-N 3.42Å; T547-A549 WeakPolarHBondContact OG1-CB 3.49Å; T547-A549 PolarHBondContact OG1-N 3.27Å; T547-F550 WeakPolarHBondContact O-CB 3.36Å; T547-F550 PolarHBondContact O-N 2.89Å
548	A	84	Confident	88.8	Confident	87 Å²	87	58.1 Å²	58.1	72%	0.719	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-20.1	174.7	0	0	0	0	0	113.6	F550 I551	A548-F550 PolarHBondContact O-N 3.35Å; A548-I551 PolarHBondContact O-N 2.97Å
549	A	86.5	Confident	88.5	Confident	46 Å²	46	64 Å²	64	38%	0.38	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.9	173.3	0	0	0	0	0	113.1	T547 I551 V552 E553	T547-A549 PolarHBondContact O-N 3.42Å; T547-A549 WeakPolarHBondContact OG1-CB 3.49Å; T547-A549 PolarHBondContact OG1-N 3.27Å; A549-I551 PolarHBondContact O-N 3.41Å; A549-I551 VanDerWaalsContact O-N 3.12Å; A549-V552 WeakPolarHBondContact O-CA 3.24Å; A549-V552 WeakPolarHBondContact O-CB 3.49Å; A549-V552 PolarHBondContact O-N 3.37Å; A549-E553 PolarHBondContact O-N 2.74Å
550	F	86.2	Confident	88.1	Confident	58 Å²	58	66.1 Å²	66.1	25%	0.254	36%	0.36	S	S	.	.	H	α-helix	trans	-55.3	-30.1	174.8	177.8	-99.1	0	0	0	112.9	F41 I43 L546 T547 A548 V552 E553 L554	F41-F550 AromaticContact CD1-CD2 3.68Å; F41-F550 HydrophobicContact CD1-CD2 3.68Å; F41-F550 AromaticContact CD1-CE2 3.38Å; F41-F550 HydrophobicContact CD1-CE2 3.38Å; F41-F550 HydrophobicContact CD1-CZ 4.39Å; F41-F550 AromaticContact CE1-CD2 3.81Å; F41-F550 HydrophobicContact CE1-CD2 3.81Å; F41-F550 AromaticContact CE1-CE2 3.23Å; F41-F550 HydrophobicContact CE1-CE2 3.23Å; F41-F550 AromaticContact CE1-CZ 3.83Å; F41-F550 HydrophobicContact CE1-CZ 3.83Å; F41-F550 HydrophobicContact CG-CE2 4.47Å; F41-F550 HydrophobicContact CZ-CE2 4.24Å; I43-F550 HydrophobicContact CD1-CE2 4.49Å; L546-F550 HydrophobicContact CD1-CB 4.28Å; L546-F550 HydrophobicContact CD1-CD1 4.19Å; L546-F550 HydrophobicContact CD1-CD2 3.73Å; L546-F550 HydrophobicContact CD1-CE1 4.5Å; L546-F550 HydrophobicContact CD1-CE2 4.05Å; L546-F550 HydrophobicContact CD1-CG 3.79Å; L546-F550 HydrophobicContact CD1-CZ 4.43Å; L546-F550 HydrophobicContact CD2-CB 4.2Å; L546-F550 HydrophobicContact CD2-CG 4.4Å; L546-F550 HydrophobicContact CG-CB 3.93Å; L546-F550 HydrophobicContact CG-CD2 4.24Å; L546-F550 HydrophobicContact CG-CG 4.01Å; T547-F550 WeakPolarHBondContact O-CB 3.36Å; T547-F550 PolarHBondContact O-N 2.89Å; A548-F550 PolarHBondContact O-N 3.35Å; F550-V552 VanDerWaalsContact C-N 3.34Å; F550-E553 PolarHBondContact O-N 2.72Å; F550-L554 WeakPolarHBondContact O-CB 3.36Å; F550-L554 PolarHBondContact O-N 3.36Å
551	I	86.5	Confident	87.7	Confident	109 Å²	109	67.9 Å²	67.9	56%	0.559	37%	0.368	S	S	*	.	H	α-helix	trans	-64.9	-42.1	176	-61.8	175	0	0	0	110.5	A548 A549 L554 I555	A548-I551 PolarHBondContact O-N 2.97Å; A549-I551 PolarHBondContact O-N 3.41Å; A549-I551 VanDerWaalsContact O-N 3.12Å; I551-L554 PolarHBondContact O-N 2.98Å; I551-I555 HydrophobicContact CG2-CD1 4.3Å; I551-I555 WeakPolarHBondContact O-CG1 3.42Å; I551-I555 PolarHBondContact O-N 3.07Å
552	V	89.5	Confident	87.4	Confident	97 Å²	97	68.6 Å²	68.6	59%	0.588	37%	0.37	S	S	*	.	H	α-helix	trans	-68	-41.3	176.7	-177.8	0	0	0	0	110.3	A549 F550 L554 I555 E556	A549-V552 WeakPolarHBondContact O-CA 3.24Å; A549-V552 WeakPolarHBondContact O-CB 3.49Å; A549-V552 PolarHBondContact O-N 3.37Å; F550-V552 VanDerWaalsContact C-N 3.34Å; V552-L554 VanDerWaalsContact C-N 3.3Å; V552-L554 PolarHBondContact O-N 2.9Å; V552-I555 PolarHBondContact O-N 3.24Å; V552-E556 PolarHBondContact O-N 3.2Å
553	E	89.2	Confident	87	Confident	22 Å²	22	64.7 Å²	64.7	10%	0.103	35%	0.352	C	S	.	.	H	α-helix	trans	-61.7	-37.4	174.8	-64.9	169.2	-163.1	0	0	112	T40 F41 S42 A549 F550 E556 F557	T40-E553 WeakPolarHBondContact CG2-O 3.37Å; T40-E553 WeakPolarHBondContact O-CG 3.49Å; F41-E553 WeakPolarHBondContact CA-OE2 3.47Å; F41-E553 HydrophobicContact CD1-CB 3.89Å; F41-E553 HydrophobicContact CE1-CB 4.15Å; S42-E553 WeakPolarHBondContact CB-OE1 3.49Å; S42-E553 PolarHBondContact N-OE2 3.41Å; S42-E553 VanDerWaalsContact OG-CD 3.26Å; S42-E553 PolarHBondContact OG-OE1 3.04Å; S42-E553 PolarHBondContact OG-OE2 3.43Å; A549-E553 PolarHBondContact O-N 2.74Å; F550-E553 PolarHBondContact O-N 2.72Å; E553-E556 PolarHBondContact O-N 3.27Å; E553-F557 VanDerWaalsContact O-CB 3.22Å; E553-F557 WeakPolarHBondContact O-CB 3.33Å; E553-F557 PolarHBondContact O-N 2.93Å
554	L	87.7	Confident	86.3	Confident	78 Å²	78	65.7 Å²	65.7	41%	0.408	36%	0.357	S	S	.	.	H	α-helix	trans	-66.4	-40.4	175.3	-173	70	0	0	0	111.5	F41 F550 I551 V552 F557 T558	F41-L554 HydrophobicContact CE1-CD1 4.47Å; F41-L554 HydrophobicContact CZ-CD1 4.15Å; F550-L554 WeakPolarHBondContact O-CB 3.36Å; F550-L554 PolarHBondContact O-N 3.36Å; I551-L554 PolarHBondContact O-N 2.98Å; V552-L554 VanDerWaalsContact C-N 3.3Å; V552-L554 PolarHBondContact O-N 2.9Å; L554-F557 PolarHBondContact O-N 3.29Å; L554-T558 WeakPolarHBondContact O-CB 3.33Å; L554-T558 VanDerWaalsContact O-CG2 3.32Å; L554-T558 WeakPolarHBondContact O-CG2 3.33Å; L554-T558 PolarHBondContact O-N 3.47Å; L554-T558 PolarHBondContact O-OG1 2.94Å
555	I	90.4	Very high	85.7	Confident	106 Å²	106	70.5 Å²	70.5	54%	0.544	38%	0.379	S	S	.	.	H	α-helix	trans	-64.9	-43.6	173.9	-66.2	165.5	0	0	0	110.2	I551 V552 F557 T558 Y559	I551-I555 HydrophobicContact CG2-CD1 4.3Å; I551-I555 WeakPolarHBondContact O-CG1 3.42Å; I551-I555 PolarHBondContact O-N 3.07Å; V552-I555 PolarHBondContact O-N 3.24Å; I555-F557 VanDerWaalsContact C-N 3.34Å; I555-F557 PolarHBondContact O-N 3.02Å; I555-T558 WeakPolarHBondContact CA-OG1 3.4Å; I555-T558 PolarHBondContact O-N 3.42Å; I555-T558 PolarHBondContact O-OG1 3.42Å; I555-Y559 VanDerWaalsContact O-CB 3.23Å; I555-Y559 WeakPolarHBondContact O-CB 3.44Å; I555-Y559 PolarHBondContact O-N 3.39Å
556	E	89.5	Confident	85.1	Confident	73 Å²	73	77.9 Å²	77.9	34%	0.341	41%	0.405	S	S	.	.	H	α-helix	trans	-62.8	-41.9	175.4	-176.8	174.6	178.6	0	0	111.5	T40 V552 E553 Y559 R560	T40-E556 HydrophobicContact CG2-CB 3.92Å; T40-E556 HydrophobicContact CG2-CG 3.87Å; V552-E556 PolarHBondContact O-N 3.2Å; E553-E556 PolarHBondContact O-N 3.27Å; E556-Y559 PolarHBondContact O-N 3.22Å; E556-R560 HydrophobicContact CG-CG 4.32Å; E556-R560 WeakPolarHBondContact O-CB 3.37Å; E556-R560 VanDerWaalsContact O-CG 3.32Å; E556-R560 WeakPolarHBondContact O-CG 3.44Å; E556-R560 PolarHBondContact O-N 3.37Å; E556-R560 IonicContact OE1-CZ 3.15Å; E556-R560 IonicContact OE1-NE 2.9Å; E556-R560 PolarHBondContact OE1-NE 3.23Å; E556-R560 IonicContact OE1-NH2 2.94Å; E556-R560 PolarHBondContact OE1-NH2 3.44Å
557	F	86.8	Confident	84.4	Confident	33 Å²	33	77.6 Å²	77.6	15%	0.145	41%	0.407	C	S	.	.	H	α-helix	trans	-62.5	-49.7	178.6	175.8	-101.4	0	0	0	111.1	I36 I37 T40 F41 E553 L554 I555 Y559 R560 L561	I36-F557 HydrophobicContact CB-CE2 4.46Å; I36-F557 HydrophobicContact CG2-CD2 3.8Å; I36-F557 HydrophobicContact CG2-CE2 3.83Å; I37-F557 HydrophobicContact CG1-CD2 4.45Å; I37-F557 HydrophobicContact CG1-CE2 3.63Å; I37-F557 HydrophobicContact CG1-CZ 4.17Å; T40-F557 HydrophobicContact CG2-CB 3.83Å; F41-F557 HydrophobicContact CE2-CB 4.04Å; F41-F557 HydrophobicContact CE2-CD1 4.26Å; F41-F557 AromaticContact CE2-CD2 3.74Å; F41-F557 HydrophobicContact CE2-CD2 3.74Å; F41-F557 HydrophobicContact CE2-CE2 4.29Å; F41-F557 AromaticContact CE2-CG 3.73Å; F41-F557 HydrophobicContact CE2-CG 3.73Å; F41-F557 HydrophobicContact CZ-CB 3.89Å; F41-F557 HydrophobicContact CZ-CD1 4.24Å; F41-F557 HydrophobicContact CZ-CD2 4.39Å; F41-F557 AromaticContact CZ-CG 3.91Å; F41-F557 HydrophobicContact CZ-CG 3.91Å; E553-F557 VanDerWaalsContact O-CB 3.22Å; E553-F557 WeakPolarHBondContact O-CB 3.33Å; E553-F557 PolarHBondContact O-N 2.93Å; L554-F557 PolarHBondContact O-N 3.29Å; I555-F557 VanDerWaalsContact C-N 3.34Å; I555-F557 PolarHBondContact O-N 3.02Å; F557-Y559 VanDerWaalsContact C-N 3.33Å; F557-Y559 PolarHBondContact O-N 3.46Å; F557-R560 PolarHBondContact O-N 2.95Å; F557-L561 VanDerWaalsContact O-CB 3.31Å; F557-L561 WeakPolarHBondContact O-CB 3.34Å; F557-L561 PolarHBondContact O-N 3.32Å
558	T	87.1	Confident	83.4	Confident	67 Å²	67	77.3 Å²	77.3	41%	0.411	40%	0.402	S	S	.	.	H	α-helix	trans	-62.5	-41.1	177.1	51.4	0	0	0	0	111.4	L554 I555 L561 V562	L554-T558 WeakPolarHBondContact O-CB 3.33Å; L554-T558 VanDerWaalsContact O-CG2 3.32Å; L554-T558 WeakPolarHBondContact O-CG2 3.33Å; L554-T558 PolarHBondContact O-N 3.47Å; L554-T558 PolarHBondContact O-OG1 2.94Å; I555-T558 WeakPolarHBondContact CA-OG1 3.4Å; I555-T558 PolarHBondContact O-N 3.42Å; I555-T558 PolarHBondContact O-OG1 3.42Å; T558-L561 PolarHBondContact O-N 3Å; T558-V562 WeakPolarHBondContact O-CB 3.23Å; T558-V562 VanDerWaalsContact O-CG2 3.29Å; T558-V562 WeakPolarHBondContact O-CG2 3.07Å; T558-V562 PolarHBondContact O-N 3.15Å
559	Y	88.8	Confident	82.8	Confident	157 Å²	157	78 Å²	78	62%	0.616	39%	0.393	S	S	*	.	H	α-helix	trans	-62	-47.4	174.4	178.8	-98.9	0	0	0	112.4	I555 E556 F557 L561 V562 T563	I555-Y559 VanDerWaalsContact O-CB 3.23Å; I555-Y559 WeakPolarHBondContact O-CB 3.44Å; I555-Y559 PolarHBondContact O-N 3.39Å; E556-Y559 PolarHBondContact O-N 3.22Å; F557-Y559 VanDerWaalsContact C-N 3.33Å; F557-Y559 PolarHBondContact O-N 3.46Å; Y559-L561 VanDerWaalsContact C-N 3.33Å; Y559-L561 PolarHBondContact O-N 2.95Å; Y559-V562 PolarHBondContact O-N 3.33Å; Y559-T563 HydrophobicContact CD1-CG2 4.3Å; Y559-T563 HydrophobicContact CD2-CG2 4.22Å; Y559-T563 HydrophobicContact CE1-CG2 3.89Å; Y559-T563 HydrophobicContact CE2-CG2 3.79Å; Y559-T563 HydrophobicContact CG-CG2 4.45Å; Y559-T563 WeakPolarHBondContact O-CB 3.13Å; Y559-T563 WeakPolarHBondContact O-CG2 3.22Å; Y559-T563 PolarHBondContact O-N 2.84Å; Y559-T563 PolarHBondContact O-OG1 2.79Å
560	R	85.3	Confident	82	Confident	97 Å²	97	85 Å²	85	37%	0.366	41%	0.409	S	S	.	.	H	α-helix	trans	-63.3	-38.6	176.8	-75.5	-177.7	-179.4	-139.3	5.8	111.8	I36 E556 F557 T563 T564	I36-R560 HydrophobicContact CG2-CB 4.26Å; E556-R560 HydrophobicContact CG-CG 4.32Å; E556-R560 WeakPolarHBondContact O-CB 3.37Å; E556-R560 VanDerWaalsContact O-CG 3.32Å; E556-R560 WeakPolarHBondContact O-CG 3.44Å; E556-R560 PolarHBondContact O-N 3.37Å; E556-R560 IonicContact OE1-CZ 3.15Å; E556-R560 IonicContact OE1-NE 2.9Å; E556-R560 PolarHBondContact OE1-NE 3.23Å; E556-R560 IonicContact OE1-NH2 2.94Å; E556-R560 PolarHBondContact OE1-NH2 3.44Å; F557-R560 PolarHBondContact O-N 2.95Å; R560-T563 WeakPolarHBondContact CA-OG1 3.37Å; R560-T563 PolarHBondContact O-OG1 2.67Å; R560-T564 WeakPolarHBondContact O-CB 3.45Å; R560-T564 PolarHBondContact O-N 2.95Å; R560-T564 PolarHBondContact O-OG1 2.9Å
561	L	83.7	Confident	80.8	Confident	57 Å²	57	89.9 Å²	89.9	30%	0.298	43%	0.426	S	S	.	.	H	α-helix	trans	-62.6	-52.8	176.7	-168.6	72.7	0	0	0	110.6	F557 T558 Y559 T563 T564 E565	F557-L561 VanDerWaalsContact O-CB 3.31Å; F557-L561 WeakPolarHBondContact O-CB 3.34Å; F557-L561 PolarHBondContact O-N 3.32Å; T558-L561 PolarHBondContact O-N 3Å; Y559-L561 VanDerWaalsContact C-N 3.33Å; Y559-L561 PolarHBondContact O-N 2.95Å; L561-T563 PolarHBondContact O-N 2.7Å; L561-T564 PolarHBondContact O-N 3.35Å; L561-E565 PolarHBondContact O-N 2.9Å
562	V	84.1	Confident	79.7	Confident	64 Å²	64	89.6 Å²	89.6	39%	0.388	43%	0.426	S	S	.	.	H	α-helix	trans	-64.5	-41.4	-178.9	172	0	0	0	0	112.1	T558 Y559 R566	T558-V562 WeakPolarHBondContact O-CB 3.23Å; T558-V562 VanDerWaalsContact O-CG2 3.29Å; T558-V562 WeakPolarHBondContact O-CG2 3.07Å; T558-V562 PolarHBondContact O-N 3.15Å; Y559-V562 PolarHBondContact O-N 3.33Å; V562-R566 WeakPolarHBondContact O-CB 3.33Å; V562-R566 WeakPolarHBondContact O-CG 3.45Å; V562-R566 PolarHBondContact O-N 3.04Å
563	T	82.8	Confident	78.7	Confident	50 Å²	50	91.4 Å²	91.4	31%	0.307	43%	0.425	S	S	.	.	H	α-helix	trans	-69.2	-37.1	178.5	49.8	0	0	0	0	112	Y559 R560 L561 R566 S567	Y559-T563 HydrophobicContact CD1-CG2 4.3Å; Y559-T563 HydrophobicContact CD2-CG2 4.22Å; Y559-T563 HydrophobicContact CE1-CG2 3.89Å; Y559-T563 HydrophobicContact CE2-CG2 3.79Å; Y559-T563 HydrophobicContact CG-CG2 4.45Å; Y559-T563 WeakPolarHBondContact O-CB 3.13Å; Y559-T563 WeakPolarHBondContact O-CG2 3.22Å; Y559-T563 PolarHBondContact O-N 2.84Å; Y559-T563 PolarHBondContact O-OG1 2.79Å; R560-T563 WeakPolarHBondContact CA-OG1 3.37Å; R560-T563 PolarHBondContact O-OG1 2.67Å; L561-T563 PolarHBondContact O-N 2.7Å; T563-R566 PolarHBondContact O-N 3.22Å; T563-S567 WeakPolarHBondContact O-CB 3.32Å; T563-S567 PolarHBondContact O-N 3.34Å
564	T	74.9	Confident	77.4	Confident	35 Å²	35	93.2 Å²	93.2	22%	0.215	44%	0.441	C	S	.	.	H	α-helix	trans	-66.8	-44.4	176.2	-57	0	0	0	0	110.9	V31 R560 L561 S567 N568	V31-T564 HydrophobicContact CB-CG2 4.37Å; V31-T564 HydrophobicContact CG1-CG2 3.96Å; V31-T564 HydrophobicContact CG2-CG2 3.71Å; R560-T564 WeakPolarHBondContact O-CB 3.45Å; R560-T564 PolarHBondContact O-N 2.95Å; R560-T564 PolarHBondContact O-OG1 2.9Å; L561-T564 PolarHBondContact O-N 3.35Å; T564-S567 PolarHBondContact O-N 3.11Å; T564-S567 PolarHBondContact O-OG 3.1Å; T564-N568 PolarHBondContact O-N 3.25Å
565	E	74.5	Confident	76.2	Confident	116 Å²	116	94.5 Å²	94.5	54%	0.542	45%	0.447	S	S	.	.	H	α-helix	trans	-59	-48	173	-76.5	-172.4	163.2	0	0	112	L561 S567 N568 I569	L561-E565 PolarHBondContact O-N 2.9Å; E565-S567 VanDerWaalsContact C-N 3.28Å; E565-S567 PolarHBondContact O-N 2.92Å; E565-N568 PolarHBondContact O-N 3.3Å; E565-I569 WeakPolarHBondContact O-CG1 3.07Å; E565-I569 PolarHBondContact O-N 3.02Å
566	R	76.3	Confident	74.8	Confident	164 Å²	164	95.4 Å²	95.4	62%	0.619	45%	0.449	S	S	*	.	H	α-helix	trans	-59.3	-38.9	175.8	-77.6	-179.7	178	-176.5	0.7	112.4	V562 T563 I569 R570	V562-R566 WeakPolarHBondContact O-CB 3.33Å; V562-R566 WeakPolarHBondContact O-CG 3.45Å; V562-R566 PolarHBondContact O-N 3.04Å; T563-R566 PolarHBondContact O-N 3.22Å; R566-I569 PolarHBondContact O-N 3.31Å; R566-R570 WeakPolarHBondContact O-CB 3.04Å; R566-R570 WeakPolarHBondContact O-CG 3.49Å; R566-R570 PolarHBondContact O-N 3.22Å
567	S	71	Confident	73.3	Confident	42 Å²	42	97.4 Å²	97.4	29%	0.294	46%	0.462	S	S	.	.	H	α-helix	trans	-68.4	-37.6	178.5	80.3	0	0	0	0	112.4	T563 T564 E565 R570 R571	T563-S567 WeakPolarHBondContact O-CB 3.32Å; T563-S567 PolarHBondContact O-N 3.34Å; T564-S567 PolarHBondContact O-N 3.11Å; T564-S567 PolarHBondContact O-OG 3.1Å; E565-S567 VanDerWaalsContact C-N 3.28Å; E565-S567 PolarHBondContact O-N 2.92Å; S567-R570 PolarHBondContact O-N 3.49Å; S567-R571 WeakPolarHBondContact O-CB 3.5Å; S567-R571 PolarHBondContact O-N 3.29Å
568	N	66.9	Low	71.9	Confident	66 Å²	66	103.1 Å²	103.1	35%	0.353	49%	0.487	S	S	.	.	H	α-helix	trans	-67.4	-42	175.2	-74.2	-21.1	0	0	0	110.8	T564 E565 R571 N572	T564-N568 PolarHBondContact O-N 3.25Å; E565-N568 PolarHBondContact O-N 3.3Å; N568-R571 PolarHBondContact O-N 3.46Å; N568-N572 WeakPolarHBondContact O-CB 3.49Å; N568-N572 VanDerWaalsContact O-CG 3.29Å; N568-N572 PolarHBondContact O-N 3Å; N568-N572 PolarHBondContact O-OD1 3.46Å
569	I	71.5	Confident	70.4	Confident	100 Å²	100	104.2 Å²	104.2	51%	0.513	49%	0.493	S	S	.	.	H	α-helix	trans	-62.1	-45.3	174.7	-65.8	165.9	0	0	0	111	E565 R566 N572 K573	E565-I569 WeakPolarHBondContact O-CG1 3.07Å; E565-I569 PolarHBondContact O-N 3.02Å; R566-I569 PolarHBondContact O-N 3.31Å; I569-N572 PolarHBondContact O-N 3.06Å; I569-K573 PolarHBondContact O-N 2.85Å; I569-K573 VanDerWaalsContact O-N 3.14Å
570	R	68.7	Low	68.8	Low	194 Å²	194	102 Å²	102	73%	0.732	49%	0.492	S	S	*	.	H	α-helix	trans	-65.2	-40.4	177.8	-76.7	-178	-180	-176.7	-0.3	112.6	R566 S567 K573 S574	R566-R570 WeakPolarHBondContact O-CB 3.04Å; R566-R570 WeakPolarHBondContact O-CG 3.49Å; R566-R570 PolarHBondContact O-N 3.22Å; S567-R570 PolarHBondContact O-N 3.49Å; R570-K573 PolarHBondContact O-N 3.12Å; R570-S574 PolarHBondContact O-N 3.38Å
571	R	61.4	Low	67.4	Low	160 Å²	160	100.2 Å²	100.2	60%	0.604	50%	0.495	S	S	*	.	H	α-helix	trans	-67.1	-41	177.5	-83	-176.8	-177.4	144.9	1.2	111.9	S567 N568 K573 S574 I575	S567-R571 WeakPolarHBondContact O-CB 3.5Å; S567-R571 PolarHBondContact O-N 3.29Å; N568-R571 PolarHBondContact O-N 3.46Å; R571-K573 PolarHBondContact O-N 2.91Å; R571-S574 WeakPolarHBondContact CA-OG 3.43Å; R571-S574 PolarHBondContact O-N 3.02Å; R571-S574 VanDerWaalsContact O-N 3.14Å; R571-S574 PolarHBondContact O-OG 3.1Å; R571-I575 VanDerWaalsContact O-CG1 3.31Å; R571-I575 WeakPolarHBondContact O-CG1 3.49Å; R571-I575 PolarHBondContact O-N 3.28Å
572	N	63.4	Low	65.9	Low	103 Å²	103	102.9 Å²	102.9	55%	0.551	51%	0.509	S	S	*	.	H	α-helix	trans	-60.1	-45.7	175.5	-73.1	-1.5	0	0	0	111.3	N568 I569 S574 I575 E576	N568-N572 WeakPolarHBondContact O-CB 3.49Å; N568-N572 VanDerWaalsContact O-CG 3.29Å; N568-N572 PolarHBondContact O-N 3Å; N568-N572 PolarHBondContact O-OD1 3.46Å; I569-N572 PolarHBondContact O-N 3.06Å; N572-S574 VanDerWaalsContact C-N 3.32Å; N572-S574 PolarHBondContact O-N 3.28Å; N572-I575 PolarHBondContact O-N 3.24Å; N572-E576 PolarHBondContact O-N 3.06Å; N572-E576 VanDerWaalsContact O-N 3.11Å
573	K	68.8	Low	64.3	Low	135 Å²	135	104 Å²	104	59%	0.587	52%	0.52	S	S	*	.	H	α-helix	trans	-60.7	-37	173.3	-74.9	-171.7	175.3	-171.4	0	113.6	I569 R570 R571 N577	I569-K573 PolarHBondContact O-N 2.85Å; I569-K573 VanDerWaalsContact O-N 3.14Å; R570-K573 PolarHBondContact O-N 3.12Å; R571-K573 PolarHBondContact O-N 2.91Å; K573-N577 PolarHBondContact O-N 3.41Å; K573-N577 VanDerWaalsContact O-N 3.17Å
574	S	61.4	Low	62.8	Low	61 Å²	61	107 Å²	107	43%	0.427	54%	0.538	S	S	.	.	H	α-helix	trans	-73.5	-28.1	179.1	71.8	0	0	0	0	113.8	R570 R571 N572 K578	R570-S574 PolarHBondContact O-N 3.38Å; R571-S574 WeakPolarHBondContact CA-OG 3.43Å; R571-S574 PolarHBondContact O-N 3.02Å; R571-S574 VanDerWaalsContact O-N 3.14Å; R571-S574 PolarHBondContact O-OG 3.1Å; N572-S574 VanDerWaalsContact C-N 3.32Å; N572-S574 PolarHBondContact O-N 3.28Å; S574-K578 PolarHBondContact O-N 3.24Å
575	I	63	Low	61.7	Low	104 Å²	104	109.2 Å²	109.2	53%	0.533	56%	0.555	S	S	.	*	H	α-helix	trans	-73.7	-45.4	176.2	-68.5	166	0	0	0	108.9	R571 N572 N577 K578 T579	R571-I575 VanDerWaalsContact O-CG1 3.31Å; R571-I575 WeakPolarHBondContact O-CG1 3.49Å; R571-I575 PolarHBondContact O-N 3.28Å; N572-I575 PolarHBondContact O-N 3.24Å; I575-N577 PolarHBondContact O-N 3.28Å; I575-K578 PolarHBondContact O-N 3.41Å; I575-K578 VanDerWaalsContact O-N 3.16Å; I575-T579 PolarHBondContact O-N 3.36Å; I575-T579 VanDerWaalsContact O-N 3.08Å; I575-T579 PolarHBondContact O-OG1 2.6Å
576	E	59.9	Low	60.5	Low	126 Å²	126	111 Å²	111	59%	0.589	57%	0.568	S	S	*	*	H	α-helix	trans	-54.4	-50.3	173.3	-77.5	174.9	159.2	0	0	111.7	N572 K578 T579 D580	N572-E576 PolarHBondContact O-N 3.06Å; N572-E576 VanDerWaalsContact O-N 3.11Å; E576-K578 VanDerWaalsContact C-N 3.28Å; E576-K578 PolarHBondContact O-N 3.44Å; E576-T579 PolarHBondContact O-N 3.44Å; E576-D580 PolarHBondContact O-N 3.43Å
577	N	58.8	Low	59	Low	114 Å²	114	106.3 Å²	106.3	61%	0.61	57%	0.571	S	S	*	*	H	α-helix	trans	-65.2	-25.5	-180	-73.7	-2.5	0	0	0	114.5	K573 I575 S581	K573-N577 PolarHBondContact O-N 3.41Å; K573-N577 VanDerWaalsContact O-N 3.17Å; I575-N577 PolarHBondContact O-N 3.28Å; N577-S581 PolarHBondContact O-OG 2.61Å
578	K	57.2	Low	57.7	Low	153 Å²	153	112.2 Å²	112.2	67%	0.665	59%	0.594	S	S	*	*	H	α-helix	trans	-81.6	-28.8	176.5	-105.9	-177	175.9	-177.8	0	112.7	S574 I575 E576 D580 S581 N582	S574-K578 PolarHBondContact O-N 3.24Å; I575-K578 PolarHBondContact O-N 3.41Å; I575-K578 VanDerWaalsContact O-N 3.16Å; E576-K578 VanDerWaalsContact C-N 3.28Å; E576-K578 PolarHBondContact O-N 3.44Å; K578-D580 VanDerWaalsContact C-N 3.34Å; K578-S581 WeakPolarHBondContact CA-OG 3.49Å; K578-S581 PolarHBondContact O-OG 3.08Å; K578-N582 PolarHBondContact O-N 2.99Å
579	T	55.3	Low	56.6	Low	90 Å²	90	119.9 Å²	119.9	55%	0.552	62%	0.62	S	S	*	*	H	α-helix	trans	-70.9	-35	175.1	-47.2	0	0	0	0	110.9	I575 E576	I575-T579 PolarHBondContact O-N 3.36Å; I575-T579 VanDerWaalsContact O-N 3.08Å; I575-T579 PolarHBondContact O-OG1 2.6Å; E576-T579 PolarHBondContact O-N 3.44Å
580	D	56	Low	55.5	Low	110 Å²	110	124.7 Å²	124.7	59%	0.588	64%	0.637	S	S	*	*	H	α-helix	trans	-74.6	-24.7	177.5	-70.2	-18.1	0	0	0	114.3	E576 K578 S583	E576-D580 PolarHBondContact O-N 3.43Å; K578-D580 VanDerWaalsContact C-N 3.34Å; D580-S583 PolarHBondContact O-OG 3.14Å; D580-S583 VanDerWaalsContact O-OG 3.07Å
581	S	55.2	Low	54.4	Low	60 Å²	60	122.8 Å²	122.8	42%	0.42	64%	0.641	S	S	.	*	H	α-helix	trans	-88.6	-27.4	-179.7	36.3	0	0	0	0	113.6	N577 K578 S585	N577-S581 PolarHBondContact O-OG 2.61Å; K578-S581 WeakPolarHBondContact CA-OG 3.49Å; K578-S581 PolarHBondContact O-OG 3.08Å; S581-S585 PolarHBondContact O-OG 3.44Å
582	N	52.5	Low	53.6	Low	114 Å²	114	125 Å²	125	61%	0.61	66%	0.655	S	S	*	*	H	α-helix	trans	-79.8	-21.6	175.8	-78.9	-5.9	0	0	0	113.3	K578 V584	K578-N582 PolarHBondContact O-N 2.99Å; N582-V584 VanDerWaalsContact C-N 3.3Å
583	S	50.3	Low	52.7	Low	88 Å²	88	128.7 Å²	128.7	62%	0.615	67%	0.674	S	S	*	*	H	α-helix	trans	-74.1	-20	174.5	58.7	0	0	0	0	113.4	D580	D580-S583 PolarHBondContact O-OG 3.14Å; D580-S583 VanDerWaalsContact O-OG 3.07Å
584	V	52.6	Low	51.5	Low	111 Å²	111	131.5 Å²	131.5	67%	0.673	69%	0.686	S	S	*	*	H	α-helix	trans	-87	-24.7	179.3	-180	0	0	0	0	112.5	N582	N582-V584 VanDerWaalsContact C-N 3.3Å
585	S	50.6	Low	50.6	Low	82 Å²	82	140.5 Å²	140.5	57%	0.573	71%	0.711	S	S	*	*	H	α-helix	trans	-90.4	-17	-172.8	-57.6	0	0	0	0	115	S581	S581-S585 PolarHBondContact O-OG 3.44Å
586	D	49.6	Very low	49.5	Very low	154 Å²	154	141.2 Å²	141.2	82%	0.824	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	0.5	178.6	-97.9	-17.9	0	0	0	114
587	G	44.2	Very low	48.7	Very low	66 Å²	66	139.5 Å²	139.5	68%	0.68	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-16	178.1	0	0	0	0	0	115.4
588	E	43.9	Very low	47.9	Very low	166 Å²	166	140.6 Å²	140.6	78%	0.776	74%	0.743	S	S	*	*	S	Bend	trans	-106.5	-11	-164	-151.1	172.7	171.4	0	0	114.9	K590	E588-K590 PolarHBondContact O-N 3Å
589	Y	43.9	Very low	46.9	Very low	227 Å²	227	139 Å²	139	89%	0.89	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	0.3	-177.2	-106.3	-90.9	0	0	0	115.7
590	K	48.4	Very low	46	Very low	201 Å²	201	146.3 Å²	146.3	87%	0.874	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	4.3	180	-103.7	179.1	179.1	175	0	115.8	E588	E588-K590 PolarHBondContact O-N 3Å
591	N	46.5	Very low	45.5	Very low	154 Å²	154	148.2 Å²	148.2	82%	0.824	79%	0.793	S	S	*	*	S	Bend	trans	-117.8	10.1	-172.2	-99	-14.7	0	0	0	117.1
592	K	43.9	Very low	45	Very low	205 Å²	205	152.8 Å²	152.8	89%	0.891	81%	0.813	S	S	*	*			trans	-109.7	11.3	-177	-97.4	179.9	177.4	175.5	0	117.2	K594	K592-K594 VanDerWaalsContact C-N 3.29Å; K592-K594 PolarHBondContact O-N 3.3Å
593	L	44.1	Very low	44.5	Very low	182 Å²	182	154.9 Å²	154.9	95%	0.953	82%	0.824	S	S	*	*	S	Bend	trans	-87.3	20.3	174.9	-132.9	93.3	0	0	0	115
594	K	43.5	Very low	44.2	Very low	193 Å²	193	158.9 Å²	158.9	84%	0.839	84%	0.836	S	S	*	*			trans	-136.2	89.1	176.5	-93.8	-178.8	174.3	175.9	0	109.9	K592	K592-K594 VanDerWaalsContact C-N 3.29Å; K592-K594 PolarHBondContact O-N 3.3Å
595	R	42.6	Very low	43.7	Very low	251 Å²	251	161.9 Å²	161.9	95%	0.947	85%	0.846	S	S	*	*			trans	167.7	108.2	141.5	-95.8	164.7	175.1	176.6	-1.8	110.3
596	S	40.4	Very low	43.2	Very low	119 Å²	119	167.2 Å²	167.2	83%	0.832	87%	0.865	S	S	*	*			trans	-60.8	156.4	165.4	-71.5	0	0	0	0	112.7
597	A	42.8	Very low	42.8	Very low	90 Å²	90	168.1 Å²	168.1	74%	0.744	87%	0.868	S	S	*	*			trans	73.5	122.4	147.4	0	0	0	0	0	117.7
598	T	42	Very low	42.7	Very low	136 Å²	136	176 Å²	176	83%	0.834	88%	0.882	S	S	*	*				155.7	141.2	93.9	-40.8	0	0	0	0	109.1
599	C	35.8	Very low	42.6	Very low	120 Å²	120	176.8 Å²	176.8	81%	0.811	89%	0.891	S	S	*	*			trans	-54.8	138.2	-176.7	-54.4	0	0	0	0	115.6
600	I	36.6	Very low	42.4	Very low	244 Å²	244	172.3 Å²	172.3	100%	1.251	89%	0.891	S	S	*	*				-151.2	0	98.2	-84.7	168.1	0	0	0	106.5

Retrieved 600 of 600 residues in 178.4 ms (Link to these results)

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