A0A077ZEA4_TRITR Loading...

Pyruvate kinase

AlphaFold DB , UniProt , Accession A0A077ZEA4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 574 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.5	Very low	35.5	Very low	236 Å²	236	139.1 Å²	139.1	100%	1.163	81%	0.814	S	S	*	*				0	87.6	0	-59.7	179.9	-163.5	0	0	105.4
2	A	33.9	Very low	35.8	Very low	89 Å²	89	136.3 Å²	136.3	74%	0.736	80%	0.803	S	S	*	*				48.4	123.1	75.4	0	0	0	0	0	110
3	T	38	Very low	35.6	Very low	119 Å²	119	136.2 Å²	136.2	73%	0.73	81%	0.805	S	S	*	*			cis	-179.8	133.4	23.4	12.6	0	0	0	0	105.8
4	N	36.3	Very low	35.1	Very low	160 Å²	160	133.5 Å²	133.5	86%	0.856	80%	0.797	S	S	*	*				62.2	137	104.7	-70.5	-12.6	0	0	0	118.5
5	G	38.2	Very low	35	Very low	66 Å²	66	134.9 Å²	134.9	68%	0.68	80%	0.797	S	S	*	*			trans	159.5	69.5	163	0	0	0	0	0	113.2
6	I	37.5	Very low	34.6	Very low	168 Å²	168	135.7 Å²	135.7	86%	0.862	80%	0.803	S	S	*	*				89.1	118.2	90.4	-66.5	165	0	0	0	114
7	L	35.1	Very low	34.3	Very low	154 Å²	154	132.2 Å²	132.2	81%	0.806	80%	0.802	S	S	*	*			trans	-71.9	171.7	168.9	-71.4	153.1	0	0	0	112.4
8	P	36.8	Very low	34	Very low	118 Å²	118	130.9 Å²	130.9	77%	0.766	80%	0.8	S	S	*	*				-149.4	130.2	90.9	27.9	-5.3	0	0	0	114.9
9	S	30	Very low	33.8	Very low	93 Å²	93	130.7 Å²	130.7	65%	0.65	79%	0.792	S	S	*	*				61.4	115.5	97.7	79	0	0	0	0	118.3
10	F	33.5	Very low	33.7	Very low	221 Å²	221	130.7 Å²	130.7	97%	0.969	79%	0.787	S	S	*	*			trans	-157.5	142.7	138	-93.2	-75.6	0	0	0	109.8
11	S	29	Very low	33.5	Very low	106 Å²	106	135.8 Å²	135.8	74%	0.741	79%	0.793	S	S	*	*			trans	-142.5	-176.6	-177.1	60.6	0	0	0	0	107.9
12	P	38.7	Very low	33	Very low	105 Å²	105	134.2 Å²	134.2	68%	0.682	78%	0.783	S	S	*	*			cis	-136.9	164	-46.8	33.4	-15.3	0	0	0	113.4
13	T	33.2	Very low	32.9	Very low	135 Å²	135	133.5 Å²	133.5	83%	0.828	78%	0.777	S	S	*	*			trans	179.3	111.1	147.3	19.6	0	0	0	0	111.9
14	S	28.5	Very low	32.7	Very low	99 Å²	99	135.7 Å²	135.7	69%	0.692	78%	0.784	S	S	*	*				77.2	121.9	106.9	72.3	0	0	0	0	117.6
15	I	34	Very low	32.8	Very low	155 Å²	155	132.2 Å²	132.2	80%	0.795	77%	0.765	S	S	*	*				174.2	112.2	126	-81.8	151.7	0	0	0	111.1
16	V	29.3	Very low	33.3	Very low	147 Å²	147	138.1 Å²	138.1	89%	0.891	77%	0.772	S	S	*	*			trans	38.2	124.7	137.1	-164.1	0	0	0	0	121.4
17	G	29.3	Very low	33.9	Very low	77 Å²	77	132.1 Å²	132.1	79%	0.794	74%	0.741	S	S	*	*			trans	158.9	81.5	158.7	0	0	0	0	0	114
18	S	28.2	Very low	34.9	Very low	109 Å²	109	126.6 Å²	126.6	76%	0.762	71%	0.714	S	S	*	*			trans	-76.1	131.8	176.5	51.6	0	0	0	0	112.4
19	I	30.6	Very low	35.8	Very low	127 Å²	127	124.3 Å²	124.3	65%	0.651	70%	0.698	S	S	*	*			trans	-178.5	149	143	-87.1	144.3	0	0	0	106.6
20	D	31.3	Very low	37.4	Very low	130 Å²	130	121.3 Å²	121.3	70%	0.695	68%	0.675	S	S	*	*			trans	69.4	73.3	-179.4	-60.7	-15.3	0	0	0	116.7
21	R	29.5	Very low	39	Very low	238 Å²	238	113.2 Å²	113.2	90%	0.898	64%	0.641	S	S	*	*			trans	-102.7	118.1	143.8	-71.9	-171.9	-171.3	-173.8	2.7	108	A23	R21-A23 VanDerWaalsContact C-N 3.32Å; R21-A23 PolarHBondContact O-N 3.5Å
22	E	31.6	Very low	41	Very low	203 Å²	203	112.9 Å²	112.9	95%	0.949	64%	0.636	S	S	*	*			trans	-39.4	97.8	153.9	-65.7	170.9	143.4	0	0	109
23	A	33.1	Very low	42.6	Very low	74 Å²	74	115.2 Å²	115.2	61%	0.612	64%	0.638	S	S	*	*			trans	-83.5	124.8	164	0	0	0	0	0	105.9	R21 D25	R21-A23 VanDerWaalsContact C-N 3.32Å; R21-A23 PolarHBondContact O-N 3.5Å; A23-D25 PolarHBondContact O-N 3.2Å
24	D	32.6	Very low	44.5	Very low	165 Å²	165	115.7 Å²	115.7	88%	0.882	63%	0.625	S	S	*	*			trans	-48.6	88.9	155.1	-99	-33.6	0	0	0	108.2	K26	D24-K26 PolarHBondContact O-N 3.34Å
25	D	39.8	Very low	46.7	Very low	86 Å²	86	112 Å²	112	46%	0.46	60%	0.597	S	S	.	*			trans	-70	88.4	176.9	-108	-6.9	0	0	0	106.8	A23 I27	A23-D25 PolarHBondContact O-N 3.2Å; D25-I27 PolarHBondContact O-N 3.36Å
26	K	47.4	Very low	48.6	Very low	191 Å²	191	106.5 Å²	106.5	83%	0.83	58%	0.575	S	S	*	*			trans	-58.3	90.2	156.3	-78.7	-174.5	178.6	178.3	0	105.9	D24 T28	D24-K26 PolarHBondContact O-N 3.34Å; K26-T28 PolarHBondContact O-N 2.88Å
27	I	51.3	Low	50.8	Low	42 Å²	42	101.6 Å²	101.6	22%	0.215	55%	0.55	C	S	.	.			trans	-37	111.8	-178.7	-58.5	175.6	0	0	0	107.8	D25 T29 Q270 F271 K274	D25-I27 PolarHBondContact O-N 3.36Å; I27-T29 PolarHBondContact O-N 3.47Å; I27-T29 VanDerWaalsContact O-N 3.11Å; I27-Q270 HydrophobicContact CD1-CB 4.17Å; I27-F271 HydrophobicContact CG2-CB 4.32Å; I27-F271 HydrophobicContact CG2-CD2 4.22Å; I27-K274 HydrophobicContact CB-CD 3.99Å; I27-K274 HydrophobicContact CG2-CD 3.47Å; I27-K274 VanDerWaalsContact CG2-CD 3.47Å; I27-K274 PolarHBondContact O-NZ 2.77Å
28	T	55	Low	53	Low	37 Å²	37	99.5 Å²	99.5	23%	0.227	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-66.4	118.2	-173.6	-61.6	0	0	0	0	108.3	K26 E126 A129 N275	K26-T28 PolarHBondContact O-N 2.88Å; T28-E126 PolarHBondContact OG1-OE1 3.05Å; T28-E126 VanDerWaalsContact OG1-OE1 3.05Å; T28-A129 HydrophobicContact CG2-CB 4.14Å; T28-N275 PolarHBondContact O-ND2 3.11Å
29	T	56.8	Low	55.2	Low	71 Å²	71	98.7 Å²	98.7	44%	0.436	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-77	149.8	173.4	25.2	0	0	0	0	110.2	I27 N31 K274	I27-T29 PolarHBondContact O-N 3.47Å; I27-T29 VanDerWaalsContact O-N 3.11Å; T29-N31 PolarHBondContact O-N 3.31Å; T29-N31 VanDerWaalsContact O-N 3.16Å; T29-K274 HydrophobicContact CG2-CD 3.57Å; T29-K274 HydrophobicContact CG2-CG 3.6Å
30	L	62.6	Low	57.4	Low	30 Å²	30	103.1 Å²	103.1	16%	0.157	51%	0.51	C	S	.	.	P	Polyproline II helix	trans	-46.8	123.1	153.1	-76	173.8	0	0	0	109.3	P32 I35 I132 E133 N275	L30-P32 WeakPolarHBondContact O-CD 3.27Å; L30-I35 HydrophobicContact CB-CD1 4.27Å; L30-I35 HydrophobicContact CD2-CD1 3.83Å; L30-I35 HydrophobicContact CG-CD1 4.42Å; L30-I132 HydrophobicContact CD1-CG2 4.21Å; L30-I132 HydrophobicContact CD2-CB 4.07Å; L30-I132 HydrophobicContact CD2-CG2 3.41Å; L30-I132 VanDerWaalsContact CD2-CG2 3.41Å; L30-I132 HydrophobicContact CG-CG2 4.25Å; L30-E133 HydrophobicContact CD2-CG 4.14Å; L30-N275 HydrophobicContact CD1-CB 4.24Å; L30-N275 WeakPolarHBondContact CD1-O 3.35Å; L30-N275 HydrophobicContact CG-CB 4.03Å; L30-N275 WeakPolarHBondContact CG-OD1 3.42Å; L30-N275 PolarHBondContact N-OD1 2.89Å
31	N	66.6	Low	59.6	Low	51 Å²	51	104 Å²	104	27%	0.273	51%	0.512	S	S	.	.			trans	-97.8	107.3	172	-179.1	-23	0	0	0	108.2	T29 E33 R34 I35	T29-N31 PolarHBondContact O-N 3.31Å; T29-N31 VanDerWaalsContact O-N 3.16Å; N31-E33 PolarHBondContact O-N 2.72Å; N31-E33 VanDerWaalsContact O-N 3.15Å; N31-E33 WeakPolarHBondContact OD1-CA 3.39Å; N31-E33 VanDerWaalsContact OD1-CB 3.24Å; N31-E33 WeakPolarHBondContact OD1-CB 3.4Å; N31-E33 PolarHBondContact OD1-N 3.46Å; N31-R34 HydrophobicContact CB-CB 3.97Å; N31-R34 HydrophobicContact CB-CG 3.9Å; N31-R34 WeakPolarHBondContact O-CB 3.41Å; N31-R34 PolarHBondContact O-N 3.33Å; N31-R34 PolarHBondContact OD1-N 2.92Å; N31-I35 PolarHBondContact O-N 3.33Å
32	P	71.2	Confident	62.1	Low	98 Å²	98	96.5 Å²	96.5	64%	0.636	49%	0.486	S	S	*	.	H	α-helix	trans	-56.4	-31.8	-179.8	-25.2	35.3	0	0	0	113.1	L30 I35 A36	L30-P32 WeakPolarHBondContact O-CD 3.27Å; P32-I35 PolarHBondContact O-N 3.42Å; P32-A36 VanDerWaalsContact O-CB 3.27Å; P32-A36 WeakPolarHBondContact O-CB 3.45Å; P32-A36 PolarHBondContact O-N 3.05Å
33	E	73.2	Confident	64.7	Low	155 Å²	155	94.3 Å²	94.3	72%	0.724	47%	0.469	S	S	*	.	H	α-helix	trans	-68.5	-40.1	176	-54.9	-178.2	160.2	0	0	111.4	N31 A36 A37	N31-E33 PolarHBondContact O-N 2.72Å; N31-E33 VanDerWaalsContact O-N 3.15Å; N31-E33 WeakPolarHBondContact OD1-CA 3.39Å; N31-E33 VanDerWaalsContact OD1-CB 3.24Å; N31-E33 WeakPolarHBondContact OD1-CB 3.4Å; N31-E33 PolarHBondContact OD1-N 3.46Å; E33-A36 PolarHBondContact O-N 3.47Å; E33-A37 VanDerWaalsContact O-CB 3.23Å; E33-A37 WeakPolarHBondContact O-CB 3.15Å; E33-A37 PolarHBondContact O-N 2.95Å
34	R	73.4	Confident	67.3	Low	144 Å²	144	98.5 Å²	98.5	54%	0.543	47%	0.469	S	S	.	.	H	α-helix	trans	-65.5	-42.2	173.8	-73.9	-175.4	175.9	178.2	-2.5	111.7	N31 A36 A37 K38 E133	N31-R34 HydrophobicContact CB-CB 3.97Å; N31-R34 HydrophobicContact CB-CG 3.9Å; N31-R34 WeakPolarHBondContact O-CB 3.41Å; N31-R34 PolarHBondContact O-N 3.33Å; N31-R34 PolarHBondContact OD1-N 2.92Å; R34-A36 VanDerWaalsContact C-N 3.34Å; R34-A37 PolarHBondContact O-N 3.3Å; R34-K38 WeakPolarHBondContact O-CB 3.44Å; R34-K38 WeakPolarHBondContact O-CG 3.25Å; R34-K38 PolarHBondContact O-N 3.26Å; R34-E133 WeakPolarHBondContact CD-OE1 3.31Å
35	I	73.8	Confident	69.7	Low	21 Å²	21	91.9 Å²	91.9	11%	0.108	43%	0.434	C	S	.	.	H	α-helix	trans	-61.2	-46.3	175	-63.3	171.6	0	0	0	109.9	L30 N31 P32 K38 K39 E133 H136	L30-I35 HydrophobicContact CB-CD1 4.27Å; L30-I35 HydrophobicContact CD2-CD1 3.83Å; L30-I35 HydrophobicContact CG-CD1 4.42Å; N31-I35 PolarHBondContact O-N 3.33Å; P32-I35 PolarHBondContact O-N 3.42Å; I35-K38 PolarHBondContact O-N 3.37Å; I35-K39 HydrophobicContact CG2-CD 4.18Å; I35-K39 HydrophobicContact CG2-CG 4.5Å; I35-K39 WeakPolarHBondContact O-CB 3.45Å; I35-K39 VanDerWaalsContact O-CG 3.3Å; I35-K39 WeakPolarHBondContact O-CG 3.45Å; I35-K39 PolarHBondContact O-N 2.95Å; I35-E133 HydrophobicContact CG1-CB 4.21Å; I35-E133 HydrophobicContact CG1-CG 3.9Å; I35-H136 HydrophobicContact CG2-CB 3.88Å
36	A	74.5	Confident	71.9	Confident	40 Å²	40	90.9 Å²	90.9	33%	0.331	43%	0.431	S	S	.	.	H	α-helix	trans	-63.7	-40.9	177.5	0	0	0	0	0	112	P32 E33 R34 K39 R40	P32-A36 VanDerWaalsContact O-CB 3.27Å; P32-A36 WeakPolarHBondContact O-CB 3.45Å; P32-A36 PolarHBondContact O-N 3.05Å; E33-A36 PolarHBondContact O-N 3.47Å; R34-A36 VanDerWaalsContact C-N 3.34Å; A36-K39 PolarHBondContact O-N 3.39Å; A36-R40 WeakPolarHBondContact O-CG 3.26Å; A36-R40 PolarHBondContact O-N 2.85Å
37	A	74.2	Confident	73.6	Confident	44 Å²	44	86.1 Å²	86.1	36%	0.364	41%	0.413	S	S	.	.	H	α-helix	trans	-63.3	-48.4	175.8	0	0	0	0	0	111.3	E33 R34 K39 R40 M41	E33-A37 VanDerWaalsContact O-CB 3.23Å; E33-A37 WeakPolarHBondContact O-CB 3.15Å; E33-A37 PolarHBondContact O-N 2.95Å; R34-A37 PolarHBondContact O-N 3.3Å; A37-K39 PolarHBondContact O-N 2.63Å; A37-R40 WeakPolarHBondContact O-CB 3.22Å; A37-R40 PolarHBondContact O-N 3.21Å; A37-R40 VanDerWaalsContact O-N 3.09Å; A37-M41 WeakPolarHBondContact O-CG 3.48Å; A37-M41 PolarHBondContact O-N 2.9Å; A37-M41 VanDerWaalsContact O-N 3.11Å
38	K	77	Confident	75.2	Confident	34 Å²	34	90.2 Å²	90.2	15%	0.148	44%	0.436	C	S	.	.	H	α-helix	trans	-58.1	-47.1	173.9	-78.1	-180	171.8	175.3	0	111	R34 I35 R40 M41 F42 E133 N134 A137	R34-K38 WeakPolarHBondContact O-CB 3.44Å; R34-K38 WeakPolarHBondContact O-CG 3.25Å; R34-K38 PolarHBondContact O-N 3.26Å; I35-K38 PolarHBondContact O-N 3.37Å; K38-R40 PolarHBondContact O-N 2.99Å; K38-M41 WeakPolarHBondContact O-CB 3.41Å; K38-M41 PolarHBondContact O-N 3.41Å; K38-F42 WeakPolarHBondContact O-CD2 3.46Å; K38-F42 PolarHBondContact O-N 3.36Å; K38-E133 HydrophobicContact CD-CB 4.08Å; K38-E133 IonicContact NZ-OE2 3.34Å; K38-E133 PolarHBondContact NZ-OE2 2.81Å; K38-N134 VanDerWaalsContact CE-OD1 3.31Å; K38-N134 WeakPolarHBondContact CE-OD1 3.18Å; K38-N134 PolarHBondContact NZ-OD1 2.93Å; K38-A137 HydrophobicContact CB-CB 3.89Å
39	K	74.9	Confident	76.5	Confident	92 Å²	92	91.1 Å²	91.1	40%	0.4	44%	0.437	S	S	.	.	H	α-helix	trans	-56.7	-32.5	175.4	-77.9	179.2	178.9	-177	0	113.3	I35 A36 A37 F42 H136 A137	I35-K39 HydrophobicContact CG2-CD 4.18Å; I35-K39 HydrophobicContact CG2-CG 4.5Å; I35-K39 WeakPolarHBondContact O-CB 3.45Å; I35-K39 VanDerWaalsContact O-CG 3.3Å; I35-K39 WeakPolarHBondContact O-CG 3.45Å; I35-K39 PolarHBondContact O-N 2.95Å; A36-K39 PolarHBondContact O-N 3.39Å; A37-K39 PolarHBondContact O-N 2.63Å; K39-F42 VanDerWaalsContact O-O 3.11Å; K39-H136 WeakPolarHBondContact CE-O 3.49Å; K39-A137 HydrophobicContact CG-CB 4.43Å
40	R	75.5	Confident	77.7	Confident	219 Å²	219	88 Å²	88	83%	0.826	42%	0.418	S	S	*	.	H	α-helix	trans	-76.5	-24.5	175.4	-70.9	172.7	-174.5	-175.6	2.6	113.2	A36 A37 K38	A36-R40 WeakPolarHBondContact O-CG 3.26Å; A36-R40 PolarHBondContact O-N 2.85Å; A37-R40 WeakPolarHBondContact O-CB 3.22Å; A37-R40 PolarHBondContact O-N 3.21Å; A37-R40 VanDerWaalsContact O-N 3.09Å; K38-R40 PolarHBondContact O-N 2.99Å
41	M	78.4	Confident	78.6	Confident	149 Å²	149	91.4 Å²	91.4	73%	0.734	43%	0.428	S	S	*	.	H	α-helix	trans	-75.5	-26.1	177.7	-68.8	175.7	176.1	0	0	112.8	A37 K38	A37-M41 WeakPolarHBondContact O-CG 3.48Å; A37-M41 PolarHBondContact O-N 2.9Å; A37-M41 VanDerWaalsContact O-N 3.11Å; K38-M41 WeakPolarHBondContact O-CB 3.41Å; K38-M41 PolarHBondContact O-N 3.41Å
42	F	81.3	Confident	79.4	Confident	81 Å²	81	93.1 Å²	93.1	36%	0.355	45%	0.445	S	S	.	.	S	Bend	trans	-102.1	133.9	179.2	-63.5	-80.2	0	0	0	110.6	K38 K39 V102	K38-F42 WeakPolarHBondContact O-CD2 3.46Å; K38-F42 PolarHBondContact O-N 3.36Å; K39-F42 VanDerWaalsContact O-O 3.11Å; F42-V102 HydrophobicContact CB-CG1 4.44Å; F42-V102 HydrophobicContact CD1-CB 4.11Å; F42-V102 HydrophobicContact CD1-CG1 3.84Å; F42-V102 HydrophobicContact CD2-CB 4.03Å; F42-V102 HydrophobicContact CD2-CG1 3.67Å; F42-V102 HydrophobicContact CD2-CG2 4.07Å; F42-V102 HydrophobicContact CE1-CB 3.73Å; F42-V102 HydrophobicContact CE1-CG1 4Å; F42-V102 HydrophobicContact CE1-CG2 4.42Å; F42-V102 HydrophobicContact CE2-CB 3.66Å; F42-V102 HydrophobicContact CE2-CG1 3.87Å; F42-V102 HydrophobicContact CE2-CG2 3.48Å; F42-V102 VanDerWaalsContact CE2-CG2 3.48Å; F42-V102 HydrophobicContact CG-CB 4.27Å; F42-V102 HydrophobicContact CG-CG1 3.7Å; F42-V102 HydrophobicContact CZ-CB 3.51Å; F42-V102 HydrophobicContact CZ-CG1 4.04Å; F42-V102 HydrophobicContact CZ-CG2 3.69Å
43	R	86.6	Confident	79.6	Confident	156 Å²	156	88.7 Å²	88.7	59%	0.589	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-67.7	149.9	173.2	69.7	177.4	-178.3	94.5	-3.9	110	E49	R43-E49 IonicContact CZ-OE1 2.59Å; R43-E49 IonicContact CZ-OE2 3.76Å; R43-E49 IonicContact NH1-OE1 3.06Å; R43-E49 PolarHBondContact NH1-OE1 3.08Å; R43-E49 IonicContact NH1-OE2 2.82Å; R43-E49 PolarHBondContact NH1-OE2 3.22Å; R43-E49 IonicContact NH2-OE1 3.83Å; R43-E49 PolarHBondContact NH2-OE1 3.36Å; R43-E49 IonicContact NH2-OE2 2.69Å; R43-E49 PolarHBondContact NH2-OE2 3.01Å
44	R	86.7	Confident	79.9	Confident	163 Å²	163	84.9 Å²	84.9	62%	0.615	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-65.3	147.5	163.1	-70.9	-170.3	177.6	-176.5	0.4	109.9	C141	R44-C141 WeakPolarHBondContact CA-O 3.41Å
45	L	82.6	Confident	80.4	Confident	26 Å²	26	78.7 Å²	78.7	14%	0.136	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-65.4	150.4	170.8	-66.4	177.7	0	0	0	109.7	E49 E50 V106 V110 C141 F142 N143	L45-E49 VanDerWaalsContact CA-OE2 3.32Å; L45-E49 WeakPolarHBondContact CA-OE2 3.44Å; L45-E49 HydrophobicContact CB-CB 4.02Å; L45-E49 HydrophobicContact CD2-CB 3.97Å; L45-E49 HydrophobicContact CG-CB 4.45Å; L45-E50 HydrophobicContact CB-CG 3.57Å; L45-E50 HydrophobicContact CD1-CG 3.6Å; L45-E50 HydrophobicContact CG-CG 4.25Å; L45-V106 HydrophobicContact CD1-CG1 3.75Å; L45-V106 HydrophobicContact CD2-CG1 4.01Å; L45-V106 HydrophobicContact CG-CG1 4.25Å; L45-V110 HydrophobicContact CD1-CG2 4.27Å; L45-C141 HydrophobicContact CG-CB 4.48Å; L45-C141 PolarHBondContact N-O 2.78Å; L45-F142 HydrophobicContact CD1-CD1 4.15Å; L45-F142 HydrophobicContact CD1-CE1 3.98Å; L45-F142 HydrophobicContact CD1-CZ 4.23Å; L45-N143 PolarHBondContact O-ND2 3.25Å
46	T	87.2	Confident	80.7	Confident	65 Å²	65	77.8 Å²	77.8	40%	0.399	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-69.2	159.2	161.1	70.9	0	0	0	0	108.7	D48 E49 E50	T46-D48 PolarHBondContact O-N 2.94Å; T46-E49 PolarHBondContact N-OE2 3.21Å; T46-E49 PolarHBondContact O-N 3Å; T46-E49 VanDerWaalsContact O-N 3.1Å; T46-E49 VanDerWaalsContact OG1-CG 3.25Å; T46-E49 WeakPolarHBondContact OG1-CG 3.32Å; T46-E49 PolarHBondContact OG1-N 3.31Å; T46-E49 VanDerWaalsContact OG1-N 3.11Å; T46-E50 PolarHBondContact O-N 3.35Å
47	I	83.7	Confident	81	Confident	90 Å²	90	83.6 Å²	83.6	46%	0.462	39%	0.389	S	S	.	.	H	α-helix	trans	-56.2	-39.6	174.1	-67.7	174.2	0	0	0	110.1	E49 E50 R51	I47-E49 VanDerWaalsContact C-N 3.34Å; I47-E49 PolarHBondContact O-N 2.81Å; I47-E50 PolarHBondContact O-N 2.99Å; I47-R51 HydrophobicContact CG2-CG 4.29Å; I47-R51 VanDerWaalsContact O-CB 3.29Å; I47-R51 WeakPolarHBondContact O-CB 3.5Å; I47-R51 WeakPolarHBondContact O-CG 3.49Å; I47-R51 PolarHBondContact O-N 3.24Å
48	D	83.1	Confident	81.3	Confident	128 Å²	128	81.7 Å²	81.7	68%	0.684	37%	0.373	S	S	*	.	H	α-helix	trans	-64.4	-38	178.1	-62.9	-28.1	0	0	0	112.4	T46 R51 S52	T46-D48 PolarHBondContact O-N 2.94Å; D48-R51 CarbonylContact O-C 3.59Å; D48-R51 PolarHBondContact O-N 2.81Å; D48-S52 WeakPolarHBondContact O-CA 3.21Å; D48-S52 WeakPolarHBondContact O-CB 3.5Å; D48-S52 PolarHBondContact O-N 3.15Å
49	E	83.3	Confident	81.4	Confident	57 Å²	57	83.7 Å²	83.7	27%	0.266	38%	0.383	S	S	.	.	H	α-helix	trans	-67.6	-42.4	176.8	-72.2	168.5	157.1	0	0	112.2	R43 L45 T46 I47 R51 S52	R43-E49 IonicContact CZ-OE1 2.59Å; R43-E49 IonicContact CZ-OE2 3.76Å; R43-E49 IonicContact NH1-OE1 3.06Å; R43-E49 PolarHBondContact NH1-OE1 3.08Å; R43-E49 IonicContact NH1-OE2 2.82Å; R43-E49 PolarHBondContact NH1-OE2 3.22Å; R43-E49 IonicContact NH2-OE1 3.83Å; R43-E49 PolarHBondContact NH2-OE1 3.36Å; R43-E49 IonicContact NH2-OE2 2.69Å; R43-E49 PolarHBondContact NH2-OE2 3.01Å; L45-E49 VanDerWaalsContact CA-OE2 3.32Å; L45-E49 WeakPolarHBondContact CA-OE2 3.44Å; L45-E49 HydrophobicContact CB-CB 4.02Å; L45-E49 HydrophobicContact CD2-CB 3.97Å; L45-E49 HydrophobicContact CG-CB 4.45Å; T46-E49 PolarHBondContact N-OE2 3.21Å; T46-E49 PolarHBondContact O-N 3Å; T46-E49 VanDerWaalsContact O-N 3.1Å; T46-E49 VanDerWaalsContact OG1-CG 3.25Å; T46-E49 WeakPolarHBondContact OG1-CG 3.32Å; T46-E49 PolarHBondContact OG1-N 3.31Å; T46-E49 VanDerWaalsContact OG1-N 3.11Å; I47-E49 VanDerWaalsContact C-N 3.34Å; I47-E49 PolarHBondContact O-N 2.81Å; E49-R51 PolarHBondContact O-N 2.87Å; E49-S52 WeakPolarHBondContact O-CB 3.42Å; E49-S52 PolarHBondContact O-N 3.06Å; E49-S52 PolarHBondContact O-OG 2.92Å
50	E	81.1	Confident	81.4	Confident	4 Å²	4	79.6 Å²	79.6	2%	0.019	37%	0.365	C	S	.	.	H	α-helix	trans	-61.1	-34	174.2	-73.2	178.7	-152.9	0	0	112.7	L45 T46 I47 Y56 F142 N143	L45-E50 HydrophobicContact CB-CG 3.57Å; L45-E50 HydrophobicContact CD1-CG 3.6Å; L45-E50 HydrophobicContact CG-CG 4.25Å; T46-E50 PolarHBondContact O-N 3.35Å; I47-E50 PolarHBondContact O-N 2.99Å; E50-Y56 WeakPolarHBondContact O-CD2 3.29Å; E50-F142 HydrophobicContact CB-CD1 4.5Å; E50-F142 HydrophobicContact CG-CD1 3.81Å; E50-F142 HydrophobicContact CG-CE1 4.4Å; E50-F142 WeakPolarHBondContact OE1-CA 3.31Å; E50-N143 WeakPolarHBondContact OE1-CB 3.4Å; E50-N143 VanDerWaalsContact OE1-CG 3.32Å; E50-N143 PolarHBondContact OE1-N 2.7Å; E50-N143 PolarHBondContact OE1-ND2 2.8Å; E50-N143 PolarHBondContact OE2-N 2.79Å
51	R	83.1	Confident	80.9	Confident	102 Å²	102	74.4 Å²	74.4	39%	0.385	35%	0.352	S	S	.	.	H	α-helix	trans	-90.9	-6.2	-177.2	-64.7	-173.9	176.4	168	1.8	113.7	I47 D48 E49 G53 Y56 E144	I47-R51 HydrophobicContact CG2-CG 4.29Å; I47-R51 VanDerWaalsContact O-CB 3.29Å; I47-R51 WeakPolarHBondContact O-CB 3.5Å; I47-R51 WeakPolarHBondContact O-CG 3.49Å; I47-R51 PolarHBondContact O-N 3.24Å; D48-R51 CarbonylContact O-C 3.59Å; D48-R51 PolarHBondContact O-N 2.81Å; E49-R51 PolarHBondContact O-N 2.87Å; R51-G53 VanDerWaalsContact C-N 3.33Å; R51-G53 PolarHBondContact O-N 2.67Å; R51-Y56 HydrophobicContact CB-CD1 4.08Å; R51-Y56 HydrophobicContact CB-CE1 4.38Å; R51-Y56 HydrophobicContact CB-CG 4.26Å; R51-Y56 HydrophobicContact CG-CD1 3.61Å; R51-Y56 HydrophobicContact CG-CD2 3.98Å; R51-Y56 HydrophobicContact CG-CE1 3.46Å; R51-Y56 VanDerWaalsContact CG-CE1 3.46Å; R51-Y56 HydrophobicContact CG-CE2 3.81Å; R51-Y56 HydrophobicContact CG-CG 3.91Å; R51-Y56 PolarHBondContact NE-OH 3.08Å; R51-Y56 PolarHBondContact NH2-OH 3.47Å; R51-E144 IonicContact NH2-OE1 2.71Å
52	S	81.6	Confident	80	Confident	88 Å²	88	69 Å²	69	62%	0.615	33%	0.334	S	S	*	.	S	Bend	trans	-69.9	-28.5	-175.7	66.8	0	0	0	0	113.7	D48 E49	D48-S52 WeakPolarHBondContact O-CA 3.21Å; D48-S52 WeakPolarHBondContact O-CB 3.5Å; D48-S52 PolarHBondContact O-N 3.15Å; E49-S52 WeakPolarHBondContact O-CB 3.42Å; E49-S52 PolarHBondContact O-N 3.06Å; E49-S52 PolarHBondContact O-OG 2.92Å
53	G	76.7	Confident	79.3	Confident	4 Å²	4	68.5 Å²	68.5	4%	0.041	34%	0.337	C	S	.	.	S	Bend	trans	-75	140.3	178.6	0	0	0	0	0	112.1	R51 Y55 Y56 V110	R51-G53 VanDerWaalsContact C-N 3.33Å; R51-G53 PolarHBondContact O-N 2.67Å; G53-Y55 PolarHBondContact O-N 3.38Å; G53-Y56 PolarHBondContact O-N 3.2Å; G53-V110 VanDerWaalsContact CA-CG1 3.47Å
54	T	80	Confident	78.3	Confident	76 Å²	76	68.4 Å²	68.4	47%	0.466	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-16.5	175.7	57.9	0	0	0	0	113.3	Q58 H419	T54-Q58 WeakPolarHBondContact O-CG 3.43Å; T54-H419 PolarHBondContact OG1-NE2 3.11Å
55	Y	82.7	Confident	77.5	Confident	14 Å²	14	62.7 Å²	62.7	6%	0.055	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-25.3	174.8	-179.1	-118.5	0	0	0	114	G53 Q58 R87 V110 N114 H419	G53-Y55 PolarHBondContact O-N 3.38Å; Y55-Q58 PolarHBondContact O-OE1 3.45Å; Y55-R87 VanDerWaalsContact CE2-CZ 3.44Å; Y55-R87 PolarHBondContact OH-NH2 3.4Å; Y55-V110 WeakPolarHBondContact CB-O 3.34Å; Y55-N114 PolarHBondContact OH-ND2 3.49Å; Y55-H419 AromaticContact CD2-CE1 3.85Å; Y55-H419 AromaticContact CD2-ND1 3.99Å
56	Y	81.2	Confident	77.1	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.008	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-52.1	-178.5	-176.7	-74.2	0	0	0	111.6	E50 R51 G53 E144 R540	E50-Y56 WeakPolarHBondContact O-CD2 3.29Å; R51-Y56 HydrophobicContact CB-CD1 4.08Å; R51-Y56 HydrophobicContact CB-CE1 4.38Å; R51-Y56 HydrophobicContact CB-CG 4.26Å; R51-Y56 HydrophobicContact CG-CD1 3.61Å; R51-Y56 HydrophobicContact CG-CD2 3.98Å; R51-Y56 HydrophobicContact CG-CE1 3.46Å; R51-Y56 VanDerWaalsContact CG-CE1 3.46Å; R51-Y56 HydrophobicContact CG-CE2 3.81Å; R51-Y56 HydrophobicContact CG-CG 3.91Å; R51-Y56 PolarHBondContact NE-OH 3.08Å; R51-Y56 PolarHBondContact NH2-OH 3.47Å; G53-Y56 PolarHBondContact O-N 3.2Å; Y56-E144 WeakPolarHBondContact CE2-OE2 3.44Å; Y56-E144 PolarHBondContact OH-OE1 2.78Å; Y56-E144 PolarHBondContact OH-OE2 2.75Å; Y56-R540 HydrophobicContact CE1-CG 4.33Å
57	R	80	Confident	77	Confident	162 Å²	162	67.2 Å²	67.2	61%	0.611	34%	0.341	S	S	*	.			trans	-112.2	116.7	-176.9	-174	177	178.8	167	3.7	109.8	E59 R540	R57-E59 IonicContact CZ-OE1 3.11Å; R57-E59 IonicContact NE-OE1 2.69Å; R57-E59 PolarHBondContact NE-OE1 3.43Å; R57-E59 IonicContact NH2-OE1 2.7Å; R57-E59 PolarHBondContact NH2-OE1 2.8Å; R57-R540 VanDerWaalsContact CA-O 3.31Å; R57-R540 WeakPolarHBondContact CA-O 3.32Å
58	Q	79.7	Confident	77.1	Confident	4 Å²	4	71.4 Å²	71.4	2%	0.019	36%	0.355	C	S	.	.			trans	-137.6	119.8	-179.6	-60.4	178.5	-84	0	0	107.4	T54 Y55 V86 H419 R423 R540 G541 F542	T54-Q58 WeakPolarHBondContact O-CG 3.43Å; Y55-Q58 PolarHBondContact O-OE1 3.45Å; Q58-V86 HydrophobicContact CB-CB 4.22Å; Q58-V86 HydrophobicContact CB-CG1 4.23Å; Q58-V86 HydrophobicContact CB-CG2 3.7Å; Q58-H419 PolarHBondContact NE2-CE1 2.91Å; Q58-H419 VanDerWaalsContact NE2-CE1 3.31Å; Q58-R423 VanDerWaalsContact NE2-CD 3.29Å; Q58-R540 PolarHBondContact N-O 3.04Å; Q58-G541 CarbonylContact O-C 3.57Å; Q58-G541 VanDerWaalsContact O-C 3.26Å; Q58-G541 VanDerWaalsContact O-O 3.08Å; Q58-F542 HydrophobicContact CB-CE1 4.03Å; Q58-F542 WeakPolarHBondContact O-CD1 3.3Å
59	E	79.6	Confident	77.5	Confident	75 Å²	75	68.8 Å²	68.8	35%	0.35	34%	0.344	S	S	.	.			trans	-75.2	130.5	-178.9	-61.8	-61.8	153.8	0	0	109.5	R57 H544	R57-E59 IonicContact CZ-OE1 3.11Å; R57-E59 IonicContact NE-OE1 2.69Å; R57-E59 PolarHBondContact NE-OE1 3.43Å; R57-E59 IonicContact NH2-OE1 2.7Å; R57-E59 PolarHBondContact NH2-OE1 2.8Å; E59-H544 IonicContact OE2-CE1 3.05Å; E59-H544 PolarHBondContact OE2-CE1 2.75Å; E59-H544 IonicContact OE2-NE2 3.83Å; E59-H544 PolarHBondContact OE2-NE2 3.14Å
60	Q	75.4	Confident	77.9	Confident	6 Å²	6	70.7 Å²	70.7	3%	0.028	36%	0.355	C	S	.	.			trans	-124.9	138.8	174.6	-158.3	179.8	-47.2	0	0	110.3	V86 S466 C488 G541	Q60-V86 HydrophobicContact CB-CG2 3.73Å; Q60-V86 HydrophobicContact CG-CG2 4.19Å; Q60-S466 PolarHBondContact NE2-O 3.45Å; Q60-C488 VanDerWaalsContact NE2-CB 3.27Å; Q60-G541 PolarHBondContact N-O 3.42Å; Q60-G541 VanDerWaalsContact N-O 3.16Å
61	M	65.7	Low	78.6	Confident	111 Å²	111	76.6 Å²	76.6	55%	0.547	39%	0.386	S	S	.	.			trans	-127.3	153.6	167.4	-69	-170.1	-74	0	0	109.4	T63 V83	M61-T63 PolarHBondContact O-N 3.12Å; M61-T63 PolarHBondContact O-OG1 2.81Å; M61-V83 HydrophobicContact CE-CB 4.43Å; M61-V83 HydrophobicContact CE-CG1 4.31Å; M61-V83 HydrophobicContact CE-CG2 3.6Å
62	G	59.5	Low	79.1	Confident	35 Å²	35	75.1 Å²	75.1	36%	0.361	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-53.2	123.3	169.1	0	0	0	0	0	110.8	N464	G62-N464 WeakPolarHBondContact CA-O 3.42Å
63	T	66.5	Low	79.6	Confident	70 Å²	70	72 Å²	72	43%	0.429	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-100.2	122.6	-176.7	-34.3	0	0	0	0	110	M61 N464	M61-T63 PolarHBondContact O-N 3.12Å; M61-T63 PolarHBondContact O-OG1 2.81Å; T63-N464 PolarHBondContact O-OD1 3.36Å
64	K	65.9	Low	80.4	Confident	154 Å²	154	76.1 Å²	76.1	67%	0.67	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-75.4	130.3	174	-68.8	-176.2	-179.9	179.7	0	110.3
65	Q	68.2	Low	81.1	Confident	43 Å²	43	77.2 Å²	77.2	20%	0.201	39%	0.39	C	S	.	.			trans	-114.1	80.7	174.5	-63.3	-156.4	-13.7	0	0	110.8	H431 N432	Q65-H431 PolarHBondContact NE2-CD2 3.37Å; Q65-N432 VanDerWaalsContact CB-ND2 3.31Å; Q65-N432 WeakPolarHBondContact CB-ND2 3.28Å; Q65-N432 PolarHBondContact O-ND2 3.38Å; Q65-N432 VanDerWaalsContact OE1-CG 3.3Å; Q65-N432 PolarHBondContact OE1-OD1 3.2Å
66	D	75	Confident	81.5	Confident	120 Å²	120	80.4 Å²	80.4	64%	0.642	41%	0.408	S	S	*	.			trans	-92.5	-1.8	-174.5	-58.7	-21.8	0	0	0	113
67	K	84.2	Confident	81.9	Confident	67 Å²	67	84.2 Å²	84.2	29%	0.291	43%	0.428	S	S	.	.			trans	-75.4	135.2	-177.4	-49.7	-57.6	178	-177.2	0	110.6	E72 H73 N76 Y430	K67-E72 HydrophobicContact CD-CG 4.23Å; K67-H73 HydrophobicContact CB-CB 4.12Å; K67-H73 HydrophobicContact CG-CB 4.35Å; K67-N76 HydrophobicContact CD-CB 4.33Å; K67-N76 PolarHBondContact NZ-ND2 2.94Å; K67-N76 PolarHBondContact NZ-OD1 2.77Å; K67-Y430 HydrophobicContact CB-CE2 4.18Å; K67-Y430 PolarHBondContact O-OH 3.38Å
68	K	86	Confident	82.4	Confident	177 Å²	177	79.5 Å²	79.5	77%	0.77	42%	0.42	S	S	*	.			trans	-93.3	-24.5	-172.9	-62.3	178.6	-178.7	175	0	113.9	E72 Y430	K68-E72 WeakPolarHBondContact CB-OE2 3.48Å; K68-E72 PolarHBondContact N-OE2 3.5Å; K68-Y430 VanDerWaalsContact C-OH 3.27Å
69	T	91.5	Very high	82.9	Confident	74 Å²	74	87.7 Å²	87.7	45%	0.454	46%	0.462	S	S	.	.	S	Bend	trans	-137.2	157.8	-178.4	69.3	0	0	0	0	110.7	L71 E72 H73 Y430	T69-L71 VanDerWaalsContact C-N 3.28Å; T69-L71 PolarHBondContact O-N 3.47Å; T69-E72 PolarHBondContact O-N 3.39Å; T69-E72 VanDerWaalsContact OG1-CB 3.31Å; T69-E72 WeakPolarHBondContact OG1-CB 3.44Å; T69-E72 PolarHBondContact OG1-N 3.45Å; T69-E72 VanDerWaalsContact OG1-N 3.08Å; T69-H73 WeakPolarHBondContact O-CB 3.43Å; T69-H73 PolarHBondContact O-N 3.2Å; T69-Y430 PolarHBondContact N-OH 3.13Å
70	L	92.5	Very high	83.3	Confident	96 Å²	96	92.1 Å²	92.1	50%	0.503	48%	0.483	S	S	.	.	H	α-helix	trans	-59.8	-40.1	173.5	177.2	61.5	0	0	0	111.7	H73 L74 Y430	L70-H73 WeakPolarHBondContact O-CB 3.41Å; L70-H73 PolarHBondContact O-N 3Å; L70-L74 HydrophobicContact CD1-CD1 4.26Å; L70-L74 HydrophobicContact CD1-CG 4.13Å; L70-L74 HydrophobicContact CG-CD1 4.09Å; L70-L74 HydrophobicContact CG-CG 4.39Å; L70-L74 VanDerWaalsContact O-CG 3.27Å; L70-L74 WeakPolarHBondContact O-CG 3.25Å; L70-L74 PolarHBondContact O-N 3.44Å; L70-Y430 HydrophobicContact CB-CD1 4.09Å; L70-Y430 HydrophobicContact CB-CE1 4.23Å; L70-Y430 HydrophobicContact CD1-CD1 3.9Å; L70-Y430 HydrophobicContact CD1-CG 4.49Å
71	L	94.8	Very high	83.5	Confident	128 Å²	128	97 Å²	97	67%	0.67	51%	0.506	S	S	*	.	H	α-helix	trans	-64	-44.3	179.6	-176.5	61.1	0	0	0	111.4	T69 H73 L74 C75	T69-L71 VanDerWaalsContact C-N 3.28Å; T69-L71 PolarHBondContact O-N 3.47Å; L71-H73 VanDerWaalsContact C-N 3.35Å; L71-L74 PolarHBondContact O-N 3.5Å; L71-C75 PolarHBondContact O-N 3.3Å; L71-C75 PolarHBondContact O-SG 2.98Å; L71-C75 VanDerWaalsContact O-SG 3.33Å
72	E	94	Very high	83.5	Confident	72 Å²	72	97.6 Å²	97.6	34%	0.336	52%	0.518	S	S	.	.	H	α-helix	trans	-62.2	-42.6	174.4	-175.2	-173.9	-164	0	0	111.4	K67 K68 T69 L74 C75 N76	K67-E72 HydrophobicContact CD-CG 4.23Å; K68-E72 WeakPolarHBondContact CB-OE2 3.48Å; K68-E72 PolarHBondContact N-OE2 3.5Å; T69-E72 PolarHBondContact O-N 3.39Å; T69-E72 VanDerWaalsContact OG1-CB 3.31Å; T69-E72 WeakPolarHBondContact OG1-CB 3.44Å; T69-E72 PolarHBondContact OG1-N 3.45Å; T69-E72 VanDerWaalsContact OG1-N 3.08Å; E72-L74 PolarHBondContact O-N 2.95Å; E72-C75 PolarHBondContact O-N 2.93Å; E72-N76 PolarHBondContact O-N 2.88Å; E72-N76 PolarHBondContact O-ND2 3.26Å
73	H	92.8	Very high	83.8	Confident	22 Å²	22	98.6 Å²	98.6	10%	0.102	52%	0.516	C	S	.	.	H	α-helix	trans	-55.6	-50.8	174.5	173.6	78.6	0	0	0	111.5	K67 T69 L70 L71 C75 N76 L77 A428 Y430	K67-H73 HydrophobicContact CB-CB 4.12Å; K67-H73 HydrophobicContact CG-CB 4.35Å; T69-H73 WeakPolarHBondContact O-CB 3.43Å; T69-H73 PolarHBondContact O-N 3.2Å; L70-H73 WeakPolarHBondContact O-CB 3.41Å; L70-H73 PolarHBondContact O-N 3Å; L71-H73 VanDerWaalsContact C-N 3.35Å; H73-C75 PolarHBondContact O-N 3.03Å; H73-N76 PolarHBondContact O-N 3.35Å; H73-N76 VanDerWaalsContact O-N 3.09Å; H73-L77 PolarHBondContact O-N 3.47Å; H73-A428 PolarHBondContact NE2-O 3.32Å; H73-Y430 HydrophobicContact CB-CD1 4.27Å; H73-Y430 HydrophobicContact CB-CD2 4.04Å; H73-Y430 HydrophobicContact CB-CE1 4.47Å; H73-Y430 HydrophobicContact CB-CE2 4.25Å; H73-Y430 HydrophobicContact CB-CG 4.07Å; H73-Y430 AromaticContact CG-CD2 3.79Å; H73-Y430 AromaticContact CG-CG 3.81Å; H73-Y430 AromaticContact ND1-CD2 3.7Å
74	L	93.4	Very high	84.1	Confident	91 Å²	91	96.8 Å²	96.8	48%	0.476	50%	0.504	S	S	.	.	H	α-helix	trans	-61.4	-41.5	179.3	-68.3	173.2	0	0	0	112.8	L70 L71 E72 N76 L77	L70-L74 HydrophobicContact CD1-CD1 4.26Å; L70-L74 HydrophobicContact CD1-CG 4.13Å; L70-L74 HydrophobicContact CG-CD1 4.09Å; L70-L74 HydrophobicContact CG-CG 4.39Å; L70-L74 VanDerWaalsContact O-CG 3.27Å; L70-L74 WeakPolarHBondContact O-CG 3.25Å; L70-L74 PolarHBondContact O-N 3.44Å; L71-L74 PolarHBondContact O-N 3.5Å; E72-L74 PolarHBondContact O-N 2.95Å; L74-N76 PolarHBondContact O-N 3.19Å; L74-L77 HydrophobicContact CD2-CD1 3.94Å; L74-L77 PolarHBondContact O-N 3.1Å
75	C	93.9	Very high	84.7	Confident	99 Å²	99	90.2 Å²	90.2	67%	0.669	48%	0.477	S	S	*	.	H	α-helix	trans	-63.2	-20.7	176.4	-71.7	0	0	0	0	113.8	L71 E72 H73	L71-C75 PolarHBondContact O-N 3.3Å; L71-C75 PolarHBondContact O-SG 2.98Å; L71-C75 VanDerWaalsContact O-SG 3.33Å; E72-C75 PolarHBondContact O-N 2.93Å; H73-C75 PolarHBondContact O-N 3.03Å
76	N	91.4	Very high	85.8	Confident	80 Å²	80	88.3 Å²	88.3	43%	0.428	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	1.6	-177.2	-76.5	-85.7	0	0	0	113.6	K67 E72 H73 L74 S78	K67-N76 HydrophobicContact CD-CB 4.33Å; K67-N76 PolarHBondContact NZ-ND2 2.94Å; K67-N76 PolarHBondContact NZ-OD1 2.77Å; E72-N76 PolarHBondContact O-N 2.88Å; E72-N76 PolarHBondContact O-ND2 3.26Å; H73-N76 PolarHBondContact O-N 3.35Å; H73-N76 VanDerWaalsContact O-N 3.09Å; L74-N76 PolarHBondContact O-N 3.19Å; N76-S78 PolarHBondContact O-N 3.13Å
77	L	90.6	Very high	86.8	Confident	82 Å²	82	83.1 Å²	83.1	43%	0.429	44%	0.44	S	S	.	.			trans	-61.7	128.1	172	-67.4	178.6	0	0	0	109.4	H73 L74 A428	H73-L77 PolarHBondContact O-N 3.47Å; L74-L77 HydrophobicContact CD2-CD1 3.94Å; L74-L77 PolarHBondContact O-N 3.1Å; L77-A428 HydrophobicContact CD1-CB 4.23Å; L77-A428 HydrophobicContact CD2-CB 3.77Å
78	S	90.7	Very high	87.3	Confident	64 Å²	64	80.4 Å²	80.4	45%	0.448	43%	0.428	S	S	.	.			trans	-124.2	133.2	-179.5	-178.1	0	0	0	0	111	N76 E80	N76-S78 PolarHBondContact O-N 3.13Å; S78-E80 PolarHBondContact O-N 2.98Å; S78-E80 PolarHBondContact OG-N 3.5Å
79	I	90.4	Very high	87.9	Confident	176 Å²	176	72 Å²	72	90%	0.903	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-10.7	174.1	63.6	170.9	0	0	0	112.7
80	E	87.9	Confident	88.3	Confident	167 Å²	167	68.6 Å²	68.6	78%	0.78	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	2.5	179.8	-59.7	-175.2	167.1	0	0	112.4	S78 P82	S78-E80 PolarHBondContact O-N 2.98Å; S78-E80 PolarHBondContact OG-N 3.5Å; E80-P82 WeakPolarHBondContact O-CD 3.33Å
81	E	79.2	Confident	88.6	Confident	110 Å²	110	64 Å²	64	51%	0.514	35%	0.347	S	S	.	.			trans	-64.2	118.4	-179.1	-168	157	-159	0	0	110.3	V83	E81-V83 VanDerWaalsContact C-N 3.32Å; E81-V83 PolarHBondContact O-N 3.26Å
82	P	65.5	Low	88.8	Confident	122 Å²	122	58 Å²	58	79%	0.792	32%	0.315	S	S	*	.			trans	-76.9	-17.9	-163.6	26.7	-33.6	0	0	0	113.9	E80	E80-P82 WeakPolarHBondContact O-CD 3.33Å
83	V	65.6	Low	89	Confident	56 Å²	56	54.5 Å²	54.5	34%	0.339	30%	0.299	S	S	.	.			trans	-117.2	108.7	-170	-176.9	0	0	0	0	109.7	M61 E81	M61-V83 HydrophobicContact CE-CB 4.43Å; M61-V83 HydrophobicContact CE-CG1 4.31Å; M61-V83 HydrophobicContact CE-CG2 3.6Å; E81-V83 VanDerWaalsContact C-N 3.32Å; E81-V83 PolarHBondContact O-N 3.26Å
84	I	73.4	Confident	89.3	Confident	33 Å²	33	53.7 Å²	53.7	17%	0.169	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-93.1	125.8	175.9	-55.5	168.3	0	0	0	107.3	E420 R423	I84-E420 WeakPolarHBondContact CD1-OE1 3.39Å; I84-R423 HydrophobicContact CG2-CB 3.4Å; I84-R423 VanDerWaalsContact CG2-CB 3.4Å; I84-R423 HydrophobicContact CG2-CG 4.37Å; I84-R423 PolarHBondContact O-NH2 3.18Å
85	P	78.3	Confident	89.5	Confident	16 Å²	16	49.7 Å²	49.7	10%	0.104	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-61.9	167.4	-175	28.2	-35.7	0	0	0	112.2	R423 E426 A427	P85-R423 PolarHBondContact O-NE 3.19Å; P85-E426 HydrophobicContact CG-CB 4.23Å; P85-A427 HydrophobicContact CG-CB 4.01Å
86	V	90.5	Very high	89.8	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.012	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-62.1	137.2	168.4	-179.6	0	0	0	0	109.5	Q58 Q60 K88 L489 F542	Q58-V86 HydrophobicContact CB-CB 4.22Å; Q58-V86 HydrophobicContact CB-CG1 4.23Å; Q58-V86 HydrophobicContact CB-CG2 3.7Å; Q60-V86 HydrophobicContact CB-CG2 3.73Å; Q60-V86 HydrophobicContact CG-CG2 4.19Å; V86-K88 PolarHBondContact O-N 3.17Å; V86-L489 HydrophobicContact CB-CD1 3.64Å; V86-L489 HydrophobicContact CB-CG 4.12Å; V86-L489 HydrophobicContact CG1-CD1 3.17Å; V86-L489 HydrophobicContact CG1-CD2 4.18Å; V86-L489 HydrophobicContact CG1-CG 3.86Å; V86-L489 HydrophobicContact CG2-CD1 4Å; V86-F542 HydrophobicContact CB-CD1 4.37Å; V86-F542 HydrophobicContact CB-CE1 4.38Å; V86-F542 HydrophobicContact CG1-CD1 4.03Å; V86-F542 HydrophobicContact CG1-CE1 3.63Å; V86-F542 HydrophobicContact CG1-CZ 3.93Å; V86-F542 HydrophobicContact CG2-CD1 3.42Å; V86-F542 VanDerWaalsContact CG2-CD1 3.42Å; V86-F542 HydrophobicContact CG2-CE1 3.78Å; V86-F542 HydrophobicContact CG2-CG 4.2Å
87	R	95.4	Very high	90.1	Very high	12 Å²	12	46.4 Å²	46.4	5%	0.045	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-69.7	116.5	-176	-168.7	-142.6	55.9	179	6.6	111.3	Y55 T89 G112 N114 C422 R423 E426	Y55-R87 VanDerWaalsContact CE2-CZ 3.44Å; Y55-R87 PolarHBondContact OH-NH2 3.4Å; R87-T89 VanDerWaalsContact CD-O 3.29Å; R87-T89 WeakPolarHBondContact CD-O 3.31Å; R87-T89 PolarHBondContact NE-O 2.83Å; R87-G112 PolarHBondContact NH1-O 3.41Å; R87-N114 PolarHBondContact NH1-OD1 3.45Å; R87-N114 VanDerWaalsContact NH2-CG 3.28Å; R87-N114 PolarHBondContact NH2-ND2 3.21Å; R87-N114 VanDerWaalsContact NH2-ND2 3.13Å; R87-N114 PolarHBondContact NH2-OD1 3.42Å; R87-C422 HydrophobicContact CG-CB 4.01Å; R87-R423 HydrophobicContact CB-CG 3.44Å; R87-R423 VanDerWaalsContact CB-CG 3.44Å; R87-R423 HydrophobicContact CG-CG 3.82Å; R87-E426 VanDerWaalsContact CA-OE2 3.25Å; R87-E426 WeakPolarHBondContact CA-OE2 3.31Å
88	K	96.7	Very high	90.4	Very high	10 Å²	10	44 Å²	44	4%	0.043	25%	0.249	C	C	.	.			trans	-93.3	-31.8	-177.9	-61	-167.6	-168.8	81	0	113.9	V86 E426 P487 L489 Y507 G508	V86-K88 PolarHBondContact O-N 3.17Å; K88-E426 VanDerWaalsContact N-CD 3.25Å; K88-E426 PolarHBondContact N-OE1 2.94Å; K88-E426 VanDerWaalsContact N-OE1 3.07Å; K88-E426 PolarHBondContact N-OE2 2.93Å; K88-P487 VanDerWaalsContact CE-C 3.45Å; K88-P487 WeakPolarHBondContact CE-O 3.31Å; K88-P487 PolarHBondContact NZ-O 3.35Å; K88-L489 HydrophobicContact CG-CD2 4.46Å; K88-Y507 HydrophobicContact CB-CD1 4.35Å; K88-Y507 HydrophobicContact CB-CD2 3.98Å; K88-Y507 HydrophobicContact CB-CE1 3.96Å; K88-Y507 HydrophobicContact CB-CE2 3.56Å; K88-Y507 HydrophobicContact CB-CG 4.37Å; K88-Y507 HydrophobicContact CD-CD1 4.45Å; K88-Y507 HydrophobicContact CD-CE1 3.6Å; K88-Y507 HydrophobicContact CG-CE1 4.44Å; K88-G508 PolarHBondContact O-N 3.04Å
89	T	98.3	Very high	90.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	-74.6	130.7	-177.9	-53.5	0	0	0	0	110.3	R87 V392 D397 V399 E426	R87-T89 VanDerWaalsContact CD-O 3.29Å; R87-T89 WeakPolarHBondContact CD-O 3.31Å; R87-T89 PolarHBondContact NE-O 2.83Å; T89-V392 HydrophobicContact CG2-CG2 4.1Å; T89-D397 WeakPolarHBondContact CA-O 3.35Å; T89-D397 WeakPolarHBondContact CG2-O 3.48Å; T89-V399 HydrophobicContact CG2-CG1 4.24Å; T89-V399 HydrophobicContact CG2-CG2 4.16Å; T89-E426 VanDerWaalsContact CB-OE1 3.23Å; T89-E426 WeakPolarHBondContact CB-OE1 3.49Å; T89-E426 PolarHBondContact N-OE1 3.09Å; T89-E426 PolarHBondContact OG1-OE1 2.79Å
90	G	98.5	Very high	91.1	Very high	3 Å²	3	34.7 Å²	34.7	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	142	175.1	0	0	0	0	0	112	D397 C398 V399	G90-D397 PolarHBondContact N-O 3.28Å; G90-C398 CarbonylContact O-C 3.57Å; G90-C398 WeakPolarHBondContact O-CA 3.46Å; G90-C398 VanDerWaalsContact O-CB 3.26Å; G90-C398 WeakPolarHBondContact O-CB 3.41Å; G90-V399 PolarHBondContact O-N 3.28Å
91	I	98.8	Very high	91.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.8	173.6	-64.7	176.4	0	0	0	109.8	N114 I115 V399 M418 H419	I91-N114 PolarHBondContact N-OD1 2.97Å; I91-N114 PolarHBondContact O-N 2.95Å; I91-I115 PolarHBondContact O-N 3.37Å; I91-V399 HydrophobicContact CG1-CG2 4.16Å; I91-M418 HydrophobicContact CD1-CB 4.33Å; I91-M418 HydrophobicContact CD1-CG 3.97Å; I91-M418 HydrophobicContact CG1-CG 4.18Å; I91-M418 HydrophobicContact CG1-SD 4.31Å; I91-M418 HydrophobicContact CG2-SD 3.92Å; I91-H419 HydrophobicContact CD1-CB 3.89Å
92	I	98.9	Very high	92.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.1	178.7	-48.5	-176.6	0	0	0	108.3	I115 R117 F281 I365 C398 V399 M400 L401	I92-I115 WeakPolarHBondContact CA-O 3.31Å; I92-I115 HydrophobicContact CB-CB 4.33Å; I92-I115 HydrophobicContact CD1-CD1 4.15Å; I92-I115 HydrophobicContact CG1-CB 4.01Å; I92-I115 HydrophobicContact CG1-CD1 4.08Å; I92-I115 HydrophobicContact CG1-CG1 4.3Å; I92-I115 HydrophobicContact CG2-CB 4.11Å; I92-I115 HydrophobicContact CG2-CG2 4.16Å; I92-R117 HydrophobicContact CG2-CB 3.95Å; I92-F281 HydrophobicContact CD1-CZ 4Å; I92-F281 HydrophobicContact CG2-CE2 4.09Å; I92-F281 HydrophobicContact CG2-CZ 4.24Å; I92-I365 HydrophobicContact CD1-CB 4.47Å; I92-I365 HydrophobicContact CD1-CD1 3.46Å; I92-I365 VanDerWaalsContact CD1-CD1 3.46Å; I92-I365 HydrophobicContact CD1-CG1 3.83Å; I92-I365 HydrophobicContact CD1-CG2 3.81Å; I92-C398 HydrophobicContact CD1-CB 3.8Å; I92-C398 HydrophobicContact CG1-CB 3.96Å; I92-V399 PolarHBondContact N-O 3.2Å; I92-M400 HydrophobicContact CB-CB 3.99Å; I92-M400 HydrophobicContact CB-CG 3.81Å; I92-M400 HydrophobicContact CB-SD 4.48Å; I92-M400 HydrophobicContact CG2-CB 4.49Å; I92-M400 HydrophobicContact CG2-CG 3.81Å; I92-M400 HydrophobicContact CG2-SD 3.99Å; I92-M400 CarbonylContact O-C 3.57Å; I92-M400 WeakPolarHBondContact O-CA 3.37Å; I92-L401 PolarHBondContact O-N 3.37Å
93	C	98.9	Very high	93.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.6	-179.9	-57.8	0	0	0	0	110.4	I95 M108 M113 I115 R117 T405 V415	C93-I95 HydrophobicContact CB-CD1 4.42Å; C93-M108 HydrophobicContact CB-CE 3.49Å; C93-M108 VanDerWaalsContact CB-CE 3.49Å; C93-M113 HydrophobicContact CB-CG 3.91Å; C93-M113 HydrophobicContact CB-SD 3.66Å; C93-I115 PolarHBondContact N-O 2.9Å; C93-R117 PolarHBondContact O-N 3.38Å; C93-T405 HydrophobicContact CB-CG2 4.14Å; C93-V415 VanDerWaalsContact SG-CG2 3.55Å
94	T	98.8	Very high	95.3	Very high	4 Å²	4	22.3 Å²	22.3	3%	0.025	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	124.3	173.7	-54.5	0	0	0	0	109.8	R117 N119 L401 S402 T405 A406	T94-R117 WeakPolarHBondContact CA-O 3.25Å; T94-R117 HydrophobicContact CG2-CG 4.46Å; T94-R117 VanDerWaalsContact CG2-NH1 3.29Å; T94-R117 WeakPolarHBondContact OG1-CD 3.22Å; T94-R117 PolarHBondContact OG1-NH1 3.3Å; T94-N119 HydrophobicContact CG2-CB 4.2Å; T94-L401 WeakPolarHBondContact CB-O 3.5Å; T94-L401 PolarHBondContact N-O 3.12Å; T94-L401 PolarHBondContact OG1-O 2.66Å; T94-S402 WeakPolarHBondContact OG1-CA 3.33Å; T94-T405 PolarHBondContact N-OG1 2.95Å; T94-T405 VanDerWaalsContact N-OG1 3.17Å; T94-T405 CarbonylContact O-C 3.53Å; T94-T405 PolarHBondContact O-OG1 2.69Å; T94-T405 VanDerWaalsContact O-OG1 3.1Å; T94-A406 HydrophobicContact CG2-CB 3.9Å; T94-A406 WeakPolarHBondContact O-CA 3.28Å; T94-A406 PolarHBondContact O-N 3.07Å
95	I	98.7	Very high	96.4	Very high	7 Å²	7	20.7 Å²	20.7	4%	0.036	12%	0.123	C	C	.	.			trans	-90.8	130.4	-178.2	-49.6	-52.4	0	0	0	109.6	C93 S99 R100 L105 M108 M113 A116 R117 L118 T131 I135	C93-I95 HydrophobicContact CB-CD1 4.42Å; I95-S99 WeakPolarHBondContact CA-OG 3.39Å; I95-R100 HydrophobicContact CG2-CB 3.85Å; I95-L105 HydrophobicContact CD1-CD2 3.82Å; I95-L105 HydrophobicContact CG1-CD2 4.32Å; I95-L105 HydrophobicContact CG2-CD2 4.27Å; I95-M108 HydrophobicContact CD1-CE 4.38Å; I95-M113 HydrophobicContact CD1-SD 3.87Å; I95-A116 HydrophobicContact CD1-CB 4.23Å; I95-A116 HydrophobicContact CG1-CB 3.8Å; I95-R117 PolarHBondContact N-O 3.35Å; I95-L118 HydrophobicContact CB-CD2 4.25Å; I95-T131 HydrophobicContact CB-CG2 4.06Å; I95-T131 HydrophobicContact CG2-CG2 3.49Å; I95-T131 VanDerWaalsContact CG2-CG2 3.49Å; I95-I135 HydrophobicContact CG1-CD1 4.46Å
96	G	98.3	Very high	97.3	Very high	4 Å²	4	20.6 Å²	20.6	4%	0.041	12%	0.122	C	C	.	.	S	Bend	trans	-153.8	-164	-179.1	0	0	0	0	0	112	A98 S99 R100 A406	G96-A98 PolarHBondContact O-N 3.27Å; G96-A98 VanDerWaalsContact O-N 3.1Å; G96-S99 PolarHBondContact N-OG 3.39Å; G96-S99 PolarHBondContact O-N 2.96Å; G96-R100 VanDerWaalsContact O-CB 3.31Å; G96-R100 WeakPolarHBondContact O-CB 3.41Å; G96-R100 PolarHBondContact O-N 3.15Å; G96-A406 CarbonylContact C-O 3.52Å; G96-A406 WeakPolarHBondContact CA-O 3.46Å
97	P	97.7	Very high	97.5	Very high	107 Å²	107	24.5 Å²	24.5	70%	0.695	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-35.6	-178.6	-29.1	36.3	0	0	0	114.8	Y127 A406	P97-Y127 WeakPolarHBondContact CD-OH 3.34Å; P97-A406 VanDerWaalsContact CD-O 3.29Å; P97-A406 WeakPolarHBondContact CD-O 3.47Å; P97-A406 VanDerWaalsContact N-O 3.14Å
98	A	97.9	Very high	97.7	Very high	30 Å²	30	24 Å²	24	25%	0.248	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-19.3	-179.3	0	0	0	0	0	114.1	G96 A406 G408 P411	G96-A98 PolarHBondContact O-N 3.27Å; G96-A98 VanDerWaalsContact O-N 3.1Å; A98-A406 WeakPolarHBondContact CB-O 3.28Å; A98-A406 PolarHBondContact N-O 3.42Å; A98-G408 WeakPolarHBondContact CB-O 3.35Å; A98-P411 HydrophobicContact CB-CG 4.46Å
99	S	98.3	Very high	97.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.6	-3.7	-167.9	49.5	0	0	0	0	115.5	I95 G96 S101 L105 M108 T405	I95-S99 WeakPolarHBondContact CA-OG 3.39Å; G96-S99 PolarHBondContact N-OG 3.39Å; G96-S99 PolarHBondContact O-N 2.96Å; S99-S101 VanDerWaalsContact C-N 3.34Å; S99-S101 PolarHBondContact O-N 2.92Å; S99-L105 WeakPolarHBondContact O-CD2 3.45Å; S99-L105 VanDerWaalsContact O-CG 3.28Å; S99-L105 WeakPolarHBondContact O-CG 3.33Å; S99-M108 VanDerWaalsContact CB-SD 3.56Å; S99-T405 WeakPolarHBondContact CB-O 3.4Å; S99-T405 PolarHBondContact OG-O 2.95Å
100	R	97.4	Very high	97.5	Very high	46 Å²	46	23.8 Å²	23.8	17%	0.174	14%	0.136	C	C	.	.			trans	-78.4	-9.6	-175.2	74.4	-173	-56.6	-120.7	0.4	115.5	I95 G96 Y127 E130 T131 N134	I95-R100 HydrophobicContact CG2-CB 3.85Å; G96-R100 VanDerWaalsContact O-CB 3.31Å; G96-R100 WeakPolarHBondContact O-CB 3.41Å; G96-R100 PolarHBondContact O-N 3.15Å; R100-Y127 WeakPolarHBondContact CD-OH 3.1Å; R100-Y127 PolarHBondContact NH2-O 2.67Å; R100-Y127 VanDerWaalsContact NH2-O 3.08Å; R100-E130 IonicContact CZ-OE2 2.67Å; R100-E130 IonicContact NH1-OE2 2.83Å; R100-E130 PolarHBondContact NH1-OE2 3.47Å; R100-E130 IonicContact NH2-OE2 3.62Å; R100-E130 PolarHBondContact NH2-OE2 3.46Å; R100-T131 HydrophobicContact CB-CG2 4.37Å; R100-T131 PolarHBondContact NE-OG1 2.87Å; R100-T131 PolarHBondContact NH2-OG1 3.46Å; R100-N134 WeakPolarHBondContact O-CB 3.41Å; R100-N134 PolarHBondContact O-ND2 2.91Å
101	S	96.9	Very high	97.3	Very high	59 Å²	59	24.6 Å²	24.6	41%	0.413	14%	0.14	S	C	.	.	S	Bend	trans	-71.7	145.4	177.4	73.5	0	0	0	0	110.4	S99 D103 M104 L105	S99-S101 VanDerWaalsContact C-N 3.34Å; S99-S101 PolarHBondContact O-N 2.92Å; S101-D103 VanDerWaalsContact C-N 3.29Å; S101-D103 PolarHBondContact O-N 3Å; S101-M104 PolarHBondContact O-N 3.1Å; S101-M104 WeakPolarHBondContact OG-CB 3.36Å; S101-M104 PolarHBondContact OG-N 3.1Å; S101-L105 WeakPolarHBondContact O-CB 3.42Å; S101-L105 VanDerWaalsContact O-CG 3.31Å; S101-L105 WeakPolarHBondContact O-CG 3.33Å; S101-L105 PolarHBondContact O-N 3.37Å
102	V	96.1	Very high	97.1	Very high	6 Å²	6	24.6 Å²	24.6	4%	0.036	14%	0.14	C	C	.	.	H	α-helix	trans	-59.7	-40.2	-179	177	0	0	0	0	111.6	F42 L105 V106 N134 A137 A138	F42-V102 HydrophobicContact CB-CG1 4.44Å; F42-V102 HydrophobicContact CD1-CB 4.11Å; F42-V102 HydrophobicContact CD1-CG1 3.84Å; F42-V102 HydrophobicContact CD2-CB 4.03Å; F42-V102 HydrophobicContact CD2-CG1 3.67Å; F42-V102 HydrophobicContact CD2-CG2 4.07Å; F42-V102 HydrophobicContact CE1-CB 3.73Å; F42-V102 HydrophobicContact CE1-CG1 4Å; F42-V102 HydrophobicContact CE1-CG2 4.42Å; F42-V102 HydrophobicContact CE2-CB 3.66Å; F42-V102 HydrophobicContact CE2-CG1 3.87Å; F42-V102 HydrophobicContact CE2-CG2 3.48Å; F42-V102 VanDerWaalsContact CE2-CG2 3.48Å; F42-V102 HydrophobicContact CG-CB 4.27Å; F42-V102 HydrophobicContact CG-CG1 3.7Å; F42-V102 HydrophobicContact CZ-CB 3.51Å; F42-V102 HydrophobicContact CZ-CG1 4.04Å; F42-V102 HydrophobicContact CZ-CG2 3.69Å; V102-L105 PolarHBondContact O-N 2.93Å; V102-V106 HydrophobicContact CG1-CG2 4.37Å; V102-V106 VanDerWaalsContact O-CG2 3.28Å; V102-V106 WeakPolarHBondContact O-CG2 2.9Å; V102-V106 PolarHBondContact O-N 3.2Å; V102-N134 HydrophobicContact CG2-CB 3.91Å; V102-A137 HydrophobicContact CG1-CB 4.33Å; V102-A137 HydrophobicContact CG2-CB 3.97Å; V102-A138 HydrophobicContact CG1-CB 4.02Å
103	D	95.5	Very high	97.1	Very high	90 Å²	90	24.7 Å²	24.7	48%	0.481	14%	0.14	S	C	.	.	H	α-helix	trans	-60.5	-46.2	177.2	178.7	73.2	0	0	0	112.5	S101 V106 K107	S101-D103 VanDerWaalsContact C-N 3.29Å; S101-D103 PolarHBondContact O-N 3Å; D103-V106 PolarHBondContact O-N 3.23Å; D103-K107 WeakPolarHBondContact O-CG 3.31Å; D103-K107 PolarHBondContact O-N 3.23Å; D103-K107 VanDerWaalsContact O-N 3.07Å; D103-K107 IonicContact OD1-NZ 2.73Å; D103-K107 VanDerWaalsContact OD2-CE 3.3Å; D103-K107 WeakPolarHBondContact OD2-CE 3.47Å; D103-K107 IonicContact OD2-NZ 3.23Å; D103-K107 PolarHBondContact OD2-NZ 3.42Å
104	M	97.5	Very high	97	Very high	39 Å²	39	24.8 Å²	24.8	19%	0.192	14%	0.141	C	C	.	.	H	α-helix	trans	-67.9	-41.3	177.7	-173	58.6	76.3	0	0	111.5	S101 V106 K107 M108 P411 L412	S101-M104 PolarHBondContact O-N 3.1Å; S101-M104 WeakPolarHBondContact OG-CB 3.36Å; S101-M104 PolarHBondContact OG-N 3.1Å; M104-V106 VanDerWaalsContact C-N 3.33Å; M104-V106 PolarHBondContact O-N 2.91Å; M104-K107 WeakPolarHBondContact O-CB 3.46Å; M104-K107 PolarHBondContact O-N 2.76Å; M104-M108 HydrophobicContact CG-CG 4.33Å; M104-M108 HydrophobicContact CG-SD 4.06Å; M104-M108 VanDerWaalsContact O-CG 3.31Å; M104-M108 WeakPolarHBondContact O-CG 3.38Å; M104-M108 PolarHBondContact O-N 2.96Å; M104-M108 HydrophobicContact SD-CG 4.43Å; M104-P411 HydrophobicContact CE-CG 4.04Å; M104-P411 HydrophobicContact SD-CG 4.19Å; M104-L412 HydrophobicContact SD-CB 4.28Å
105	L	98	Very high	97.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-57.8	-45.4	175	-73.8	168.4	0	0	0	111.5	I95 S99 S101 V102 K107 M108 M109 M113 N134 I135 A138	I95-L105 HydrophobicContact CD1-CD2 3.82Å; I95-L105 HydrophobicContact CG1-CD2 4.32Å; I95-L105 HydrophobicContact CG2-CD2 4.27Å; S99-L105 WeakPolarHBondContact O-CD2 3.45Å; S99-L105 VanDerWaalsContact O-CG 3.28Å; S99-L105 WeakPolarHBondContact O-CG 3.33Å; S101-L105 WeakPolarHBondContact O-CB 3.42Å; S101-L105 VanDerWaalsContact O-CG 3.31Å; S101-L105 WeakPolarHBondContact O-CG 3.33Å; S101-L105 PolarHBondContact O-N 3.37Å; V102-L105 PolarHBondContact O-N 2.93Å; L105-K107 PolarHBondContact O-N 2.87Å; L105-M108 PolarHBondContact O-N 3.26Å; L105-M109 HydrophobicContact CB-CE 4.27Å; L105-M109 WeakPolarHBondContact O-CB 3.37Å; L105-M109 WeakPolarHBondContact O-CG 3.43Å; L105-M109 PolarHBondContact O-N 2.83Å; L105-M113 HydrophobicContact CD2-CE 4.14Å; L105-N134 HydrophobicContact CD1-CB 3.82Å; L105-I135 HydrophobicContact CD1-CG1 3.95Å; L105-I135 HydrophobicContact CD2-CG1 4.11Å; L105-A138 HydrophobicContact CB-CB 3.6Å; L105-A138 HydrophobicContact CD1-CB 4.42Å
106	V	96	Very high	97.1	Very high	14 Å²	14	24.2 Å²	24.2	9%	0.085	14%	0.138	C	C	.	.	H	α-helix	trans	-58.5	-48.2	175.5	170.2	0	0	0	0	110.6	L45 V102 D103 M104 M108 M109 V110 A138 C141 F142	L45-V106 HydrophobicContact CD1-CG1 3.75Å; L45-V106 HydrophobicContact CD2-CG1 4.01Å; L45-V106 HydrophobicContact CG-CG1 4.25Å; V102-V106 HydrophobicContact CG1-CG2 4.37Å; V102-V106 VanDerWaalsContact O-CG2 3.28Å; V102-V106 WeakPolarHBondContact O-CG2 2.9Å; V102-V106 PolarHBondContact O-N 3.2Å; D103-V106 PolarHBondContact O-N 3.23Å; M104-V106 VanDerWaalsContact C-N 3.33Å; M104-V106 PolarHBondContact O-N 2.91Å; V106-M108 PolarHBondContact O-N 2.95Å; V106-M109 PolarHBondContact O-N 3.33Å; V106-V110 HydrophobicContact CG1-CG2 4.39Å; V106-V110 WeakPolarHBondContact O-CG2 3.41Å; V106-V110 PolarHBondContact O-N 3.3Å; V106-A138 HydrophobicContact CG2-CB 3.74Å; V106-C141 HydrophobicContact CG2-CB 3.98Å; V106-F142 HydrophobicContact CG1-CZ 4.44Å
107	K	95.7	Very high	97.1	Very high	84 Å²	84	24.8 Å²	24.8	37%	0.365	14%	0.139	S	C	.	.	H	α-helix	trans	-58.7	-45.3	176.9	-71.7	167.9	177.9	165.1	0	111.9	D103 M104 L105 V110 N111 L412	D103-K107 WeakPolarHBondContact O-CG 3.31Å; D103-K107 PolarHBondContact O-N 3.23Å; D103-K107 VanDerWaalsContact O-N 3.07Å; D103-K107 IonicContact OD1-NZ 2.73Å; D103-K107 VanDerWaalsContact OD2-CE 3.3Å; D103-K107 WeakPolarHBondContact OD2-CE 3.47Å; D103-K107 IonicContact OD2-NZ 3.23Å; D103-K107 PolarHBondContact OD2-NZ 3.42Å; M104-K107 WeakPolarHBondContact O-CB 3.46Å; M104-K107 PolarHBondContact O-N 2.76Å; L105-K107 PolarHBondContact O-N 2.87Å; K107-V110 PolarHBondContact O-N 3.28Å; K107-N111 WeakPolarHBondContact O-CB 3.46Å; K107-N111 PolarHBondContact O-N 2.84Å; K107-N111 PolarHBondContact O-ND2 3.32Å; K107-L412 HydrophobicContact CB-CD1 3.98Å; K107-L412 HydrophobicContact CB-CD2 4.23Å; K107-L412 HydrophobicContact CD-CD2 4.46Å
108	M	97.9	Very high	97.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.7	-41.3	177.5	-69.3	175.5	72.8	0	0	112.1	C93 I95 S99 M104 L105 V106 N111 G112 M113 T405 V415	C93-M108 HydrophobicContact CB-CE 3.49Å; C93-M108 VanDerWaalsContact CB-CE 3.49Å; I95-M108 HydrophobicContact CD1-CE 4.38Å; S99-M108 VanDerWaalsContact CB-SD 3.56Å; M104-M108 HydrophobicContact CG-CG 4.33Å; M104-M108 HydrophobicContact CG-SD 4.06Å; M104-M108 VanDerWaalsContact O-CG 3.31Å; M104-M108 WeakPolarHBondContact O-CG 3.38Å; M104-M108 PolarHBondContact O-N 2.96Å; M104-M108 HydrophobicContact SD-CG 4.43Å; L105-M108 PolarHBondContact O-N 3.26Å; V106-M108 PolarHBondContact O-N 2.95Å; M108-N111 CarbonylContact O-C 3.53Å; M108-N111 PolarHBondContact O-N 2.67Å; M108-G112 PolarHBondContact O-N 3Å; M108-G112 VanDerWaalsContact O-N 3.07Å; M108-M113 HydrophobicContact CB-CB 4.15Å; M108-M113 HydrophobicContact CB-CE 4.28Å; M108-M113 HydrophobicContact CB-SD 4.21Å; M108-M113 HydrophobicContact CE-SD 3.91Å; M108-M113 WeakPolarHBondContact O-CB 3.41Å; M108-M113 PolarHBondContact O-N 3.36Å; M108-T405 HydrophobicContact CE-CG2 3.73Å; M108-V415 HydrophobicContact CE-CG2 3.86Å; M108-V415 HydrophobicContact CG-CG2 4.43Å
109	M	96.5	Very high	97.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.6	-38.5	175.5	-69.3	173.7	-168.9	0	0	112.1	L105 V106 N111 M113 I135 A138 V139 F142 R146 V148	L105-M109 HydrophobicContact CB-CE 4.27Å; L105-M109 WeakPolarHBondContact O-CB 3.37Å; L105-M109 WeakPolarHBondContact O-CG 3.43Å; L105-M109 PolarHBondContact O-N 2.83Å; V106-M109 PolarHBondContact O-N 3.33Å; M109-N111 VanDerWaalsContact C-N 3.28Å; M109-N111 PolarHBondContact O-N 3.15Å; M109-M113 HydrophobicContact CE-CE 3.85Å; M109-M113 HydrophobicContact CG-CE 3.57Å; M109-I135 HydrophobicContact CE-CG2 4.08Å; M109-A138 HydrophobicContact CE-CB 3.72Å; M109-A138 HydrophobicContact SD-CB 3.98Å; M109-V139 HydrophobicContact CE-CG2 3.82Å; M109-V139 HydrophobicContact SD-CG2 3.9Å; M109-F142 HydrophobicContact CB-CE2 4.04Å; M109-F142 HydrophobicContact CB-CZ 3.72Å; M109-F142 HydrophobicContact SD-CE2 3.87Å; M109-R146 PolarHBondContact O-NH2 3.02Å; M109-V148 HydrophobicContact CE-CG1 4.32Å; M109-V148 HydrophobicContact CE-CG2 4.23Å; M109-V148 HydrophobicContact CG-CG2 3.9Å; M109-V148 HydrophobicContact SD-CG2 3.99Å
110	V	94.1	Very high	96.9	Very high	7 Å²	7	20.1 Å²	20.1	4%	0.042	10%	0.103	C	C	.	.	H	α-helix	trans	-64.3	-34.5	174.4	168.5	0	0	0	0	111.1	L45 G53 Y55 V106 K107 F142	L45-V110 HydrophobicContact CD1-CG2 4.27Å; G53-V110 VanDerWaalsContact CA-CG1 3.47Å; Y55-V110 WeakPolarHBondContact CB-O 3.34Å; V106-V110 HydrophobicContact CG1-CG2 4.39Å; V106-V110 WeakPolarHBondContact O-CG2 3.41Å; V106-V110 PolarHBondContact O-N 3.3Å; K107-V110 PolarHBondContact O-N 3.28Å; V110-F142 HydrophobicContact CG2-CE1 3.81Å; V110-F142 HydrophobicContact CG2-CZ 3.83Å
111	N	94.8	Very high	96.5	Very high	20 Å²	20	19 Å²	19	11%	0.107	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	4.4	-175.7	-72.7	-91.1	0	0	0	114.9	K107 M108 M109 L412 V415 Q416	K107-N111 WeakPolarHBondContact O-CB 3.46Å; K107-N111 PolarHBondContact O-N 2.84Å; K107-N111 PolarHBondContact O-ND2 3.32Å; M108-N111 CarbonylContact O-C 3.53Å; M108-N111 PolarHBondContact O-N 2.67Å; M109-N111 VanDerWaalsContact C-N 3.28Å; M109-N111 PolarHBondContact O-N 3.15Å; N111-L412 HydrophobicContact CB-CD1 3.95Å; N111-V415 HydrophobicContact CB-CG1 4.38Å; N111-Q416 HydrophobicContact CB-CG 3.85Å; N111-Q416 WeakPolarHBondContact OD1-CG 3.5Å; N111-Q416 PolarHBondContact OD1-NE2 3Å
112	G	95	Very high	96.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	121.3	7.8	165.9	0	0	0	0	0	117.1	R87 M108 N114	R87-G112 PolarHBondContact NH1-O 3.41Å; M108-G112 PolarHBondContact O-N 3Å; M108-G112 VanDerWaalsContact O-N 3.07Å; G112-N114 PolarHBondContact O-N 2.67Å; G112-N114 PolarHBondContact O-OD1 2.89Å; G112-N114 VanDerWaalsContact O-OD1 3.05Å
113	M	98.3	Very high	95.7	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	14%	0.135	C	C	.	.			trans	-63.3	127.2	170.7	-179.2	179.9	72.9	0	0	111.1	C93 I95 L105 M108 M109 A116 V148	C93-M113 HydrophobicContact CB-CG 3.91Å; C93-M113 HydrophobicContact CB-SD 3.66Å; I95-M113 HydrophobicContact CD1-SD 3.87Å; L105-M113 HydrophobicContact CD2-CE 4.14Å; M108-M113 HydrophobicContact CB-CB 4.15Å; M108-M113 HydrophobicContact CB-CE 4.28Å; M108-M113 HydrophobicContact CB-SD 4.21Å; M108-M113 HydrophobicContact CE-SD 3.91Å; M108-M113 WeakPolarHBondContact O-CB 3.41Å; M108-M113 PolarHBondContact O-N 3.36Å; M109-M113 HydrophobicContact CE-CE 3.85Å; M109-M113 HydrophobicContact CG-CE 3.57Å; M113-A116 HydrophobicContact SD-CB 4.49Å; M113-V148 HydrophobicContact CE-CG1 4.44Å
114	N	98.6	Very high	95.6	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	13%	0.131	C	C	.	.			trans	-107.1	-36.8	178.7	-61	102.4	0	0	0	113.5	Y55 R87 I91 G112 V148 A149 H504	Y55-N114 PolarHBondContact OH-ND2 3.49Å; R87-N114 PolarHBondContact NH1-OD1 3.45Å; R87-N114 VanDerWaalsContact NH2-CG 3.28Å; R87-N114 PolarHBondContact NH2-ND2 3.21Å; R87-N114 VanDerWaalsContact NH2-ND2 3.13Å; R87-N114 PolarHBondContact NH2-OD1 3.42Å; I91-N114 PolarHBondContact N-OD1 2.97Å; I91-N114 PolarHBondContact O-N 2.95Å; G112-N114 PolarHBondContact O-N 2.67Å; G112-N114 PolarHBondContact O-OD1 2.89Å; G112-N114 VanDerWaalsContact O-OD1 3.05Å; N114-V148 WeakPolarHBondContact O-CA 3.34Å; N114-A149 PolarHBondContact O-N 3.22Å; N114-H504 HydrophobicContact CB-CB 4.02Å; N114-H504 PolarHBondContact ND2-CE1 3.39Å; N114-H504 PolarHBondContact ND2-ND1 2.8Å
115	I	98.8	Very high	95.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	124	-175.9	-49.9	-175.1	0	0	0	108.3	I91 I92 C93 A149 A151 I279 H504 L505	I91-I115 PolarHBondContact O-N 3.37Å; I92-I115 WeakPolarHBondContact CA-O 3.31Å; I92-I115 HydrophobicContact CB-CB 4.33Å; I92-I115 HydrophobicContact CD1-CD1 4.15Å; I92-I115 HydrophobicContact CG1-CB 4.01Å; I92-I115 HydrophobicContact CG1-CD1 4.08Å; I92-I115 HydrophobicContact CG1-CG1 4.3Å; I92-I115 HydrophobicContact CG2-CB 4.11Å; I92-I115 HydrophobicContact CG2-CG2 4.16Å; C93-I115 PolarHBondContact N-O 2.9Å; I115-A149 CarbonylContact C-O 3.26Å; I115-A149 WeakPolarHBondContact CA-O 3.24Å; I115-A149 HydrophobicContact CB-CB 4.41Å; I115-A149 HydrophobicContact CG1-CB 4.05Å; I115-A149 HydrophobicContact CG2-CB 4.15Å; I115-A151 HydrophobicContact CG2-CB 3.8Å; I115-I279 HydrophobicContact CD1-CD1 3.91Å; I115-I279 HydrophobicContact CG2-CD1 4.14Å; I115-H504 HydrophobicContact CD1-CB 4.1Å; I115-H504 HydrophobicContact CG1-CB 3.96Å; I115-L505 HydrophobicContact CD1-CD2 3.87Å; I115-L505 HydrophobicContact CD1-CG 4.18Å
116	A	98.9	Very high	95.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	115	172.8	0	0	0	0	0	109.3	I95 M113 I135 A149 A151	I95-A116 HydrophobicContact CD1-CB 4.23Å; I95-A116 HydrophobicContact CG1-CB 3.8Å; M113-A116 HydrophobicContact SD-CB 4.49Å; A116-I135 HydrophobicContact CB-CD1 3.62Å; A116-I135 HydrophobicContact CB-CG1 4.3Å; A116-A149 PolarHBondContact N-O 3.02Å; A116-A151 PolarHBondContact O-N 3.29Å
117	R	98.8	Very high	95.3	Very high	16 Å²	16	27.5 Å²	27.5	6%	0.06	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	129.9	177.2	170.5	180	175	-98.8	-0.5	110.5	I92 C93 T94 I95 A151 D153 F281 M400	I92-R117 HydrophobicContact CG2-CB 3.95Å; C93-R117 PolarHBondContact O-N 3.38Å; T94-R117 WeakPolarHBondContact CA-O 3.25Å; T94-R117 HydrophobicContact CG2-CG 4.46Å; T94-R117 VanDerWaalsContact CG2-NH1 3.29Å; T94-R117 WeakPolarHBondContact OG1-CD 3.22Å; T94-R117 PolarHBondContact OG1-NH1 3.3Å; I95-R117 PolarHBondContact N-O 3.35Å; R117-A151 CarbonylContact C-O 3.57Å; R117-A151 WeakPolarHBondContact CA-O 3.4Å; R117-D153 HydrophobicContact CG-CB 4.21Å; R117-D153 IonicContact CZ-OD2 2.7Å; R117-D153 IonicContact NE-OD2 3.18Å; R117-D153 PolarHBondContact NE-OD2 2.79Å; R117-D153 VanDerWaalsContact NH2-CG 3.31Å; R117-D153 IonicContact NH2-OD1 2.68Å; R117-D153 IonicContact NH2-OD2 2.73Å; R117-D153 PolarHBondContact NH2-OD2 2.92Å; R117-F281 HydrophobicContact CB-CE2 4.15Å; R117-F281 HydrophobicContact CG-CD2 4.12Å; R117-F281 HydrophobicContact CG-CE2 4.05Å; R117-M400 WeakPolarHBondContact CD-SD 3.45Å
118	L	98.6	Very high	95.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115.2	172.6	-51.7	-179.7	0	0	0	108.6	I95 F120 T131 I132 I135 I150 A151 D153	I95-L118 HydrophobicContact CB-CD2 4.25Å; L118-F120 HydrophobicContact CB-CD2 4.19Å; L118-F120 HydrophobicContact CB-CE2 3.81Å; L118-F120 HydrophobicContact CD1-CE2 4.43Å; L118-T131 HydrophobicContact CD2-CG2 3.62Å; L118-I132 HydrophobicContact CD1-CD1 3.77Å; L118-I132 HydrophobicContact CD1-CG1 3.48Å; L118-I132 VanDerWaalsContact CD1-CG1 3.48Å; L118-I135 HydrophobicContact CD2-CD1 4.26Å; L118-I150 HydrophobicContact CD1-CG2 3.91Å; L118-I150 HydrophobicContact CG-CG2 4.28Å; L118-A151 PolarHBondContact N-O 3.38Å; L118-D153 PolarHBondContact O-N 3.3Å
119	N	97	Very high	95.3	Very high	35 Å²	35	23.8 Å²	23.8	19%	0.187	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	107.2	-178	-176.6	-1.3	0	0	0	111.1	T94 S121 H122 H128	T94-N119 HydrophobicContact CG2-CB 4.2Å; N119-S121 VanDerWaalsContact C-N 3.29Å; N119-S121 PolarHBondContact O-N 2.71Å; N119-S121 WeakPolarHBondContact OD1-CB 3.43Å; N119-S121 PolarHBondContact OD1-N 2.93Å; N119-S121 VanDerWaalsContact OD1-N 3.1Å; N119-H122 PolarHBondContact O-N 3.4Å; N119-H128 PolarHBondContact O-CE1 3.22Å; N119-H128 PolarHBondContact O-NE2 2.65Å
120	F	95.2	Very high	95.3	Very high	3 Å²	3	27.7 Å²	27.7	1%	0.013	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	3.9	-177	-82.7	-125.3	0	0	0	114.1	L118 H122 H125 H128 L152 D153 K264 D268 F271	L118-F120 HydrophobicContact CB-CD2 4.19Å; L118-F120 HydrophobicContact CB-CE2 3.81Å; L118-F120 HydrophobicContact CD1-CE2 4.43Å; F120-H122 PolarHBondContact O-N 3.35Å; F120-H125 AromaticContact CE1-CD2 3.78Å; F120-H125 AromaticContact CE1-NE2 3.97Å; F120-H128 AromaticContact CD2-CD2 3.67Å; F120-H128 AromaticContact CD2-NE2 3.67Å; F120-H128 AromaticContact CE1-CD2 3.88Å; F120-H128 HydrophobicContact CE2-CB 3.81Å; F120-H128 AromaticContact CE2-CD2 3.41Å; F120-H128 VanDerWaalsContact CE2-CD2 3.41Å; F120-H128 WeakPolarHBondContact CE2-CD2 3.44Å; F120-H128 AromaticContact CE2-CG 3.4Å; F120-H128 VanDerWaalsContact CE2-CG 3.4Å; F120-H128 AromaticContact CE2-ND1 3.86Å; F120-H128 AromaticContact CE2-NE2 3.84Å; F120-H128 AromaticContact CG-CD2 4Å; F120-H128 HydrophobicContact CZ-CB 3.62Å; F120-H128 AromaticContact CZ-CD2 3.52Å; F120-H128 AromaticContact CZ-CG 3.61Å; F120-L152 HydrophobicContact CD1-CD1 3.97Å; F120-L152 HydrophobicContact CD1-CG 4.35Å; F120-L152 HydrophobicContact CD2-CD1 3.89Å; F120-L152 HydrophobicContact CD2-CD2 4.32Å; F120-L152 HydrophobicContact CD2-CG 3.61Å; F120-L152 HydrophobicContact CE1-CD1 3.57Å; F120-L152 HydrophobicContact CE1-CG 4.34Å; F120-L152 HydrophobicContact CE2-CB 4.48Å; F120-L152 HydrophobicContact CE2-CD1 3.5Å; F120-L152 HydrophobicContact CE2-CG 3.61Å; F120-L152 HydrophobicContact CG-CD1 4.12Å; F120-L152 HydrophobicContact CG-CD2 4.29Å; F120-L152 HydrophobicContact CG-CG 4Å; F120-L152 HydrophobicContact CZ-CD1 3.33Å; F120-L152 HydrophobicContact CZ-CG 4Å; F120-D153 VanDerWaalsContact CB-O 3.31Å; F120-D153 WeakPolarHBondContact CB-O 3.38Å; F120-D153 PolarHBondContact N-O 3.38Å; F120-K264 PolarHBondContact O-NZ 3.35Å; F120-D268 HydrophobicContact CD1-CB 3.8Å; F120-D268 VanDerWaalsContact CD1-CG 3.45Å; F120-D268 HydrophobicContact CE1-CB 4.28Å; F120-F271 AromaticContact CE1-CD1 3.83Å; F120-F271 HydrophobicContact CE1-CD1 3.83Å; F120-F271 HydrophobicContact CE1-CE1 4.23Å; F120-F271 HydrophobicContact CE1-CG 4.24Å; F120-F271 AromaticContact CZ-CD1 3.53Å; F120-F271 HydrophobicContact CZ-CD1 3.53Å; F120-F271 AromaticContact CZ-CE1 3.54Å; F120-F271 HydrophobicContact CZ-CE1 3.54Å; F120-F271 HydrophobicContact CZ-CG 4.34Å; F120-F271 HydrophobicContact CZ-CZ 4.31Å
121	S	88.5	Confident	95.4	Very high	24 Å²	24	27.3 Å²	27.3	17%	0.168	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.2	161.1	-60.1	0	0	0	0	111.9	N119 E158	N119-S121 VanDerWaalsContact C-N 3.29Å; N119-S121 PolarHBondContact O-N 2.71Å; N119-S121 WeakPolarHBondContact OD1-CB 3.43Å; N119-S121 PolarHBondContact OD1-N 2.93Å; N119-S121 VanDerWaalsContact OD1-N 3.1Å; S121-E158 PolarHBondContact OG-OE1 3.41Å
122	H	87.4	Confident	95.5	Very high	125 Å²	125	26.4 Å²	26.4	58%	0.579	15%	0.145	S	C	*	.	S	Bend	trans	-135.9	161	175.9	-53.4	-69.3	0	0	0	111.8	N119 F120 H128	N119-H122 PolarHBondContact O-N 3.4Å; F120-H122 PolarHBondContact O-N 3.35Å; H122-H128 PolarHBondContact O-CE1 3.34Å; H122-H128 PolarHBondContact O-NE2 3.08Å
123	G	89.1	Confident	95.5	Very high	52 Å²	52	26.7 Å²	26.7	54%	0.536	15%	0.146	S	C	.	.	S	Bend	trans	76.3	154	177.4	0	0	0	0	0	113.9
124	S	93.4	Very high	95.4	Very high	58 Å²	58	27.3 Å²	27.3	41%	0.406	15%	0.149	S	C	.	.			trans	-86.2	171	173.2	77.1	0	0	0	0	111.6	E126 Y127 H128	S124-E126 WeakPolarHBondContact CB-OE2 3.32Å; S124-E126 PolarHBondContact O-N 3.15Å; S124-E126 PolarHBondContact OG-N 3.03Å; S124-E126 PolarHBondContact OG-OE2 2.76Å; S124-Y127 WeakPolarHBondContact O-CB 3.45Å; S124-Y127 PolarHBondContact O-N 3Å; S124-Y127 PolarHBondContact OG-N 2.67Å; S124-H128 PolarHBondContact O-CD2 3.38Å; S124-H128 VanDerWaalsContact O-CD2 3.23Å; S124-H128 PolarHBondContact O-N 3.27Å; S124-H128 VanDerWaalsContact O-N 3.13Å
125	H	94.9	Very high	95.3	Very high	16 Å²	16	27.3 Å²	27.3	7%	0.074	15%	0.15	C	C	.	.	H	α-helix	trans	-59.6	-34.6	173.5	-76.2	-168.4	0	0	0	111.8	F120 H128 A129 D268 F271	F120-H125 AromaticContact CE1-CD2 3.78Å; F120-H125 AromaticContact CE1-NE2 3.97Å; H125-H128 PolarHBondContact O-N 3.38Å; H125-A129 VanDerWaalsContact O-CB 3.27Å; H125-A129 WeakPolarHBondContact O-CB 3.43Å; H125-A129 PolarHBondContact O-N 3.19Å; H125-D268 IonicContact CD2-OD1 2.61Å; H125-D268 IonicContact CE1-OD1 2.95Å; H125-D268 IonicContact NE2-OD1 3.35Å; H125-D268 PolarHBondContact NE2-OD1 3.06Å; H125-F271 HydrophobicContact CB-CD2 3.72Å; H125-F271 HydrophobicContact CB-CE2 3.84Å; H125-F271 AromaticContact CG-CD2 3.61Å; H125-F271 AromaticContact ND1-CD2 3.65Å; H125-F271 VanDerWaalsContact O-CE2 3.3Å; H125-F271 WeakPolarHBondContact O-CE2 3.23Å
126	E	94.9	Very high	95.1	Very high	74 Å²	74	29.3 Å²	29.3	35%	0.346	16%	0.159	S	C	.	.	H	α-helix	trans	-64	-44.5	176.3	-62.2	59.6	-123.4	0	0	111.1	T28 S124 H128 A129 E130	T28-E126 PolarHBondContact OG1-OE1 3.05Å; T28-E126 VanDerWaalsContact OG1-OE1 3.05Å; S124-E126 WeakPolarHBondContact CB-OE2 3.32Å; S124-E126 PolarHBondContact O-N 3.15Å; S124-E126 PolarHBondContact OG-N 3.03Å; S124-E126 PolarHBondContact OG-OE2 2.76Å; E126-H128 VanDerWaalsContact C-N 3.32Å; E126-H128 PolarHBondContact O-N 3Å; E126-A129 PolarHBondContact O-N 2.94Å; E126-E130 WeakPolarHBondContact O-CB 3.17Å; E126-E130 PolarHBondContact O-N 2.97Å
127	Y	95.8	Very high	94.8	Very high	60 Å²	60	29.3 Å²	29.3	24%	0.235	16%	0.159	C	C	.	.	H	α-helix	trans	-60.5	-43.7	177.6	177	-88.7	0	0	0	111.4	P97 R100 S124 T131	P97-Y127 WeakPolarHBondContact CD-OH 3.34Å; R100-Y127 WeakPolarHBondContact CD-OH 3.1Å; R100-Y127 PolarHBondContact NH2-O 2.67Å; R100-Y127 VanDerWaalsContact NH2-O 3.08Å; S124-Y127 WeakPolarHBondContact O-CB 3.45Å; S124-Y127 PolarHBondContact O-N 3Å; S124-Y127 PolarHBondContact OG-N 2.67Å; Y127-T131 WeakPolarHBondContact O-CB 3.33Å; Y127-T131 PolarHBondContact O-N 3.44Å; Y127-T131 VanDerWaalsContact O-N 3.09Å; Y127-T131 PolarHBondContact O-OG1 2.96Å
128	H	97.1	Very high	94.6	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.019	16%	0.156	C	C	.	.	H	α-helix	trans	-72.4	-38.4	178.7	-70.4	-53.3	0	0	0	112	N119 F120 H122 S124 H125 E126 E130 T131 I132 F271	N119-H128 PolarHBondContact O-CE1 3.22Å; N119-H128 PolarHBondContact O-NE2 2.65Å; F120-H128 AromaticContact CD2-CD2 3.67Å; F120-H128 AromaticContact CD2-NE2 3.67Å; F120-H128 AromaticContact CE1-CD2 3.88Å; F120-H128 HydrophobicContact CE2-CB 3.81Å; F120-H128 AromaticContact CE2-CD2 3.41Å; F120-H128 VanDerWaalsContact CE2-CD2 3.41Å; F120-H128 WeakPolarHBondContact CE2-CD2 3.44Å; F120-H128 AromaticContact CE2-CG 3.4Å; F120-H128 VanDerWaalsContact CE2-CG 3.4Å; F120-H128 AromaticContact CE2-ND1 3.86Å; F120-H128 AromaticContact CE2-NE2 3.84Å; F120-H128 AromaticContact CG-CD2 4Å; F120-H128 HydrophobicContact CZ-CB 3.62Å; F120-H128 AromaticContact CZ-CD2 3.52Å; F120-H128 AromaticContact CZ-CG 3.61Å; H122-H128 PolarHBondContact O-CE1 3.34Å; H122-H128 PolarHBondContact O-NE2 3.08Å; S124-H128 PolarHBondContact O-CD2 3.38Å; S124-H128 VanDerWaalsContact O-CD2 3.23Å; S124-H128 PolarHBondContact O-N 3.27Å; S124-H128 VanDerWaalsContact O-N 3.13Å; H125-H128 PolarHBondContact O-N 3.38Å; E126-H128 VanDerWaalsContact C-N 3.32Å; E126-H128 PolarHBondContact O-N 3Å; H128-E130 PolarHBondContact O-N 3.23Å; H128-T131 WeakPolarHBondContact O-CB 3.36Å; H128-T131 PolarHBondContact O-N 2.8Å; H128-T131 VanDerWaalsContact O-N 3.13Å; H128-I132 WeakPolarHBondContact O-CG1 3.45Å; H128-I132 PolarHBondContact O-N 3.05Å; H128-F271 HydrophobicContact CB-CE1 4.3Å; H128-F271 HydrophobicContact CB-CZ 4.03Å
129	A	96	Very high	94.4	Very high	2 Å²	2	30 Å²	30	2%	0.017	16%	0.164	C	C	.	.	H	α-helix	trans	-60.1	-46.8	174.4	0	0	0	0	0	111.3	T28 H125 E126 T131 I132 E133 F271	T28-A129 HydrophobicContact CG2-CB 4.14Å; H125-A129 VanDerWaalsContact O-CB 3.27Å; H125-A129 WeakPolarHBondContact O-CB 3.43Å; H125-A129 PolarHBondContact O-N 3.19Å; E126-A129 PolarHBondContact O-N 2.94Å; A129-T131 VanDerWaalsContact C-N 3.26Å; A129-T131 PolarHBondContact O-N 3.42Å; A129-I132 PolarHBondContact O-N 2.9Å; A129-E133 WeakPolarHBondContact O-CG 3.32Å; A129-E133 PolarHBondContact O-N 3.42Å; A129-F271 HydrophobicContact CB-CE2 4.06Å; A129-F271 HydrophobicContact CB-CZ 4.08Å
130	E	95.3	Very high	94.2	Very high	82 Å²	82	29.4 Å²	29.4	38%	0.383	17%	0.167	S	C	.	.	H	α-helix	trans	-61.1	-37.3	175.1	-170.7	-164.7	-178.9	0	0	111.7	R100 E126 H128 E133 N134	R100-E130 IonicContact CZ-OE2 2.67Å; R100-E130 IonicContact NH1-OE2 2.83Å; R100-E130 PolarHBondContact NH1-OE2 3.47Å; R100-E130 IonicContact NH2-OE2 3.62Å; R100-E130 PolarHBondContact NH2-OE2 3.46Å; E126-E130 WeakPolarHBondContact O-CB 3.17Å; E126-E130 PolarHBondContact O-N 2.97Å; H128-E130 PolarHBondContact O-N 3.23Å; E130-E133 WeakPolarHBondContact O-CB 3.32Å; E130-E133 PolarHBondContact O-N 2.86Å; E130-N134 PolarHBondContact O-N 2.95Å; E130-N134 PolarHBondContact O-OD1 2.93Å
131	T	97.1	Very high	94.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.3	-42.1	177.1	-56.9	0	0	0	0	111.3	I95 R100 L118 Y127 H128 A129 N134 I135	I95-T131 HydrophobicContact CB-CG2 4.06Å; I95-T131 HydrophobicContact CG2-CG2 3.49Å; I95-T131 VanDerWaalsContact CG2-CG2 3.49Å; R100-T131 HydrophobicContact CB-CG2 4.37Å; R100-T131 PolarHBondContact NE-OG1 2.87Å; R100-T131 PolarHBondContact NH2-OG1 3.46Å; L118-T131 HydrophobicContact CD2-CG2 3.62Å; Y127-T131 WeakPolarHBondContact O-CB 3.33Å; Y127-T131 PolarHBondContact O-N 3.44Å; Y127-T131 VanDerWaalsContact O-N 3.09Å; Y127-T131 PolarHBondContact O-OG1 2.96Å; H128-T131 WeakPolarHBondContact O-CB 3.36Å; H128-T131 PolarHBondContact O-N 2.8Å; H128-T131 VanDerWaalsContact O-N 3.13Å; A129-T131 VanDerWaalsContact C-N 3.26Å; A129-T131 PolarHBondContact O-N 3.42Å; T131-N134 PolarHBondContact O-N 3.38Å; T131-I135 HydrophobicContact CG2-CD1 4.24Å; T131-I135 WeakPolarHBondContact O-CG1 3.13Å; T131-I135 PolarHBondContact O-N 2.86Å
132	I	96.7	Very high	94.2	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.9	-43.9	173.6	-66.1	171.5	0	0	0	110.7	L30 L118 H128 A129 N134 I135 H136 I150 F271 N275 V277	L30-I132 HydrophobicContact CD1-CG2 4.21Å; L30-I132 HydrophobicContact CD2-CB 4.07Å; L30-I132 HydrophobicContact CD2-CG2 3.41Å; L30-I132 VanDerWaalsContact CD2-CG2 3.41Å; L30-I132 HydrophobicContact CG-CG2 4.25Å; L118-I132 HydrophobicContact CD1-CD1 3.77Å; L118-I132 HydrophobicContact CD1-CG1 3.48Å; L118-I132 VanDerWaalsContact CD1-CG1 3.48Å; H128-I132 WeakPolarHBondContact O-CG1 3.45Å; H128-I132 PolarHBondContact O-N 3.05Å; A129-I132 PolarHBondContact O-N 2.9Å; I132-N134 VanDerWaalsContact C-N 3.3Å; I132-N134 PolarHBondContact O-N 3.42Å; I132-I135 PolarHBondContact O-N 3.13Å; I132-H136 PolarHBondContact O-CD2 3.35Å; I132-H136 VanDerWaalsContact O-CD2 3.25Å; I132-H136 PolarHBondContact O-N 2.81Å; I132-I150 HydrophobicContact CG1-CD1 4.46Å; I132-I150 HydrophobicContact CG1-CG2 4.31Å; I132-I150 HydrophobicContact CG2-CD1 3.82Å; I132-F271 HydrophobicContact CD1-CE1 3.74Å; I132-F271 HydrophobicContact CD1-CZ 4Å; I132-N275 HydrophobicContact CD1-CB 3.76Å; I132-V277 HydrophobicContact CD1-CG2 4.16Å
133	E	94.9	Very high	94.3	Very high	7 Å²	7	26.4 Å²	26.4	3%	0.033	15%	0.153	C	C	.	.	H	α-helix	trans	-58.4	-41.6	174.5	-69.1	176	172.6	0	0	112	L30 R34 I35 K38 A129 E130 H136 A137	L30-E133 HydrophobicContact CD2-CG 4.14Å; R34-E133 WeakPolarHBondContact CD-OE1 3.31Å; I35-E133 HydrophobicContact CG1-CB 4.21Å; I35-E133 HydrophobicContact CG1-CG 3.9Å; K38-E133 HydrophobicContact CD-CB 4.08Å; K38-E133 IonicContact NZ-OE2 3.34Å; K38-E133 PolarHBondContact NZ-OE2 2.81Å; A129-E133 WeakPolarHBondContact O-CG 3.32Å; A129-E133 PolarHBondContact O-N 3.42Å; E130-E133 WeakPolarHBondContact O-CB 3.32Å; E130-E133 PolarHBondContact O-N 2.86Å; E133-H136 PolarHBondContact O-N 2.72Å; E133-A137 WeakPolarHBondContact O-CB 3.31Å; E133-A137 PolarHBondContact O-N 3.5Å
134	N	96.1	Very high	94.1	Very high	14 Å²	14	26.2 Å²	26.2	8%	0.075	14%	0.138	C	C	.	.	H	α-helix	trans	-66.5	-38.7	177.5	-68.7	-7.2	0	0	0	111.8	K38 R100 V102 L105 E130 T131 I132 A137 A138	K38-N134 VanDerWaalsContact CE-OD1 3.31Å; K38-N134 WeakPolarHBondContact CE-OD1 3.18Å; K38-N134 PolarHBondContact NZ-OD1 2.93Å; R100-N134 WeakPolarHBondContact O-CB 3.41Å; R100-N134 PolarHBondContact O-ND2 2.91Å; V102-N134 HydrophobicContact CG2-CB 3.91Å; L105-N134 HydrophobicContact CD1-CB 3.82Å; E130-N134 PolarHBondContact O-N 2.95Å; E130-N134 PolarHBondContact O-OD1 2.93Å; T131-N134 PolarHBondContact O-N 3.38Å; I132-N134 VanDerWaalsContact C-N 3.3Å; I132-N134 PolarHBondContact O-N 3.42Å; N134-A137 PolarHBondContact O-N 3.14Å; N134-A138 WeakPolarHBondContact O-CB 3.44Å; N134-A138 PolarHBondContact O-N 2.95Å
135	I	96.6	Very high	93.8	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-61.4	-47.5	174.2	-67.8	161.3	0	0	0	110.3	I95 L105 M109 A116 L118 T131 I132 A137 A138 V139 I150	I95-I135 HydrophobicContact CG1-CD1 4.46Å; L105-I135 HydrophobicContact CD1-CG1 3.95Å; L105-I135 HydrophobicContact CD2-CG1 4.11Å; M109-I135 HydrophobicContact CE-CG2 4.08Å; A116-I135 HydrophobicContact CB-CD1 3.62Å; A116-I135 HydrophobicContact CB-CG1 4.3Å; L118-I135 HydrophobicContact CD2-CD1 4.26Å; T131-I135 HydrophobicContact CG2-CD1 4.24Å; T131-I135 WeakPolarHBondContact O-CG1 3.13Å; T131-I135 PolarHBondContact O-N 2.86Å; I132-I135 PolarHBondContact O-N 3.13Å; I135-A137 VanDerWaalsContact C-N 3.31Å; I135-A137 PolarHBondContact O-N 2.9Å; I135-A138 PolarHBondContact O-N 3.19Å; I135-V139 WeakPolarHBondContact O-CG2 3.48Å; I135-V139 PolarHBondContact O-N 3.1Å; I135-I150 HydrophobicContact CB-CD1 4.35Å; I135-I150 HydrophobicContact CD1-CD1 4.41Å; I135-I150 HydrophobicContact CD1-CG1 4.5Å; I135-I150 HydrophobicContact CG2-CD1 3.93Å; I135-I150 HydrophobicContact CG2-CG1 4.11Å
136	H	93.9	Very high	93.7	Very high	41 Å²	41	26.4 Å²	26.4	19%	0.19	14%	0.137	C	C	.	.	H	α-helix	trans	-64.6	-34.4	176.2	-74.3	-59.7	0	0	0	113.2	I35 K39 I132 E133 G140	I35-H136 HydrophobicContact CG2-CB 3.88Å; K39-H136 WeakPolarHBondContact CE-O 3.49Å; I132-H136 PolarHBondContact O-CD2 3.35Å; I132-H136 VanDerWaalsContact O-CD2 3.25Å; I132-H136 PolarHBondContact O-N 2.81Å; E133-H136 PolarHBondContact O-N 2.72Å; H136-G140 PolarHBondContact O-N 2.97Å
137	A	93.8	Very high	93.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.8	-47.2	173.6	0	0	0	0	0	111.2	K38 K39 V102 E133 N134 I135 V139 G140 C141	K38-A137 HydrophobicContact CB-CB 3.89Å; K39-A137 HydrophobicContact CG-CB 4.43Å; V102-A137 HydrophobicContact CG1-CB 4.33Å; V102-A137 HydrophobicContact CG2-CB 3.97Å; E133-A137 WeakPolarHBondContact O-CB 3.31Å; E133-A137 PolarHBondContact O-N 3.5Å; N134-A137 PolarHBondContact O-N 3.14Å; I135-A137 VanDerWaalsContact C-N 3.31Å; I135-A137 PolarHBondContact O-N 2.9Å; A137-V139 PolarHBondContact O-N 3.46Å; A137-G140 CarbonylContact O-C 3.52Å; A137-G140 WeakPolarHBondContact O-CA 3.36Å; A137-G140 PolarHBondContact O-N 3.5Å; A137-C141 PolarHBondContact O-N 3.33Å; A137-C141 PolarHBondContact O-SG 2.99Å; A137-C141 VanDerWaalsContact O-SG 3.36Å
138	A	95.3	Very high	93.8	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.7	-44.8	177.1	0	0	0	0	0	112.5	V102 L105 V106 M109 N134 I135 G140 C141 F142	V102-A138 HydrophobicContact CG1-CB 4.02Å; L105-A138 HydrophobicContact CB-CB 3.6Å; L105-A138 HydrophobicContact CD1-CB 4.42Å; V106-A138 HydrophobicContact CG2-CB 3.74Å; M109-A138 HydrophobicContact CE-CB 3.72Å; M109-A138 HydrophobicContact SD-CB 3.98Å; N134-A138 WeakPolarHBondContact O-CB 3.44Å; N134-A138 PolarHBondContact O-N 2.95Å; I135-A138 PolarHBondContact O-N 3.19Å; A138-G140 PolarHBondContact O-N 2.66Å; A138-C141 VanDerWaalsContact O-CB 3.32Å; A138-C141 WeakPolarHBondContact O-CB 3.35Å; A138-C141 PolarHBondContact O-N 3.19Å; A138-C141 VanDerWaalsContact O-N 3.09Å; A138-F142 VanDerWaalsContact O-CD2 3.32Å; A138-F142 WeakPolarHBondContact O-CD2 3.48Å; A138-F142 WeakPolarHBondContact O-CE2 3.43Å
139	V	94.1	Very high	93.9	Very high	30 Å²	30	20.9 Å²	20.9	18%	0.182	12%	0.115	C	C	.	.	H	α-helix	trans	-59	-36.7	172.4	168	0	0	0	0	111.2	M109 I135 A137 C141 F142 R146 V148	M109-V139 HydrophobicContact CE-CG2 3.82Å; M109-V139 HydrophobicContact SD-CG2 3.9Å; I135-V139 WeakPolarHBondContact O-CG2 3.48Å; I135-V139 PolarHBondContact O-N 3.1Å; A137-V139 PolarHBondContact O-N 3.46Å; V139-C141 PolarHBondContact O-N 2.88Å; V139-F142 PolarHBondContact O-N 3.44Å; V139-R146 HydrophobicContact CG1-CB 4.33Å; V139-R146 WeakPolarHBondContact CG1-O 3.33Å; V139-V148 HydrophobicContact CG2-CB 4.08Å; V139-V148 HydrophobicContact CG2-CG2 4.13Å
140	G	92.2	Very high	94	Very high	23 Å²	23	20.9 Å²	20.9	24%	0.237	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-12	177.3	0	0	0	0	0	115.3	H136 A137 A138 F142	H136-G140 PolarHBondContact O-N 2.97Å; A137-G140 CarbonylContact O-C 3.52Å; A137-G140 WeakPolarHBondContact O-CA 3.36Å; A137-G140 PolarHBondContact O-N 3.5Å; A138-G140 PolarHBondContact O-N 2.66Å; G140-F142 VanDerWaalsContact C-N 3.29Å
141	C	93	Very high	94.2	Very high	6 Å²	6	17 Å²	17	4%	0.041	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-16.7	175.2	-61.7	0	0	0	0	112.9	R44 L45 V106 A137 A138 V139	R44-C141 WeakPolarHBondContact CA-O 3.41Å; L45-C141 HydrophobicContact CG-CB 4.48Å; L45-C141 PolarHBondContact N-O 2.78Å; V106-C141 HydrophobicContact CG2-CB 3.98Å; A137-C141 PolarHBondContact O-N 3.33Å; A137-C141 PolarHBondContact O-SG 2.99Å; A137-C141 VanDerWaalsContact O-SG 3.36Å; A138-C141 VanDerWaalsContact O-CB 3.32Å; A138-C141 WeakPolarHBondContact O-CB 3.35Å; A138-C141 PolarHBondContact O-N 3.19Å; A138-C141 VanDerWaalsContact O-N 3.09Å; V139-C141 PolarHBondContact O-N 2.88Å
142	F	91.3	Very high	94.3	Very high	12 Å²	12	17 Å²	17	5%	0.053	10%	0.096	C	C	.	.			trans	-84	143.2	178.2	-63.6	-99.8	0	0	0	111.2	L45 E50 V106 M109 V110 A138 V139 G140 E144 R146	L45-F142 HydrophobicContact CD1-CD1 4.15Å; L45-F142 HydrophobicContact CD1-CE1 3.98Å; L45-F142 HydrophobicContact CD1-CZ 4.23Å; E50-F142 HydrophobicContact CB-CD1 4.5Å; E50-F142 HydrophobicContact CG-CD1 3.81Å; E50-F142 HydrophobicContact CG-CE1 4.4Å; E50-F142 WeakPolarHBondContact OE1-CA 3.31Å; V106-F142 HydrophobicContact CG1-CZ 4.44Å; M109-F142 HydrophobicContact CB-CE2 4.04Å; M109-F142 HydrophobicContact CB-CZ 3.72Å; M109-F142 HydrophobicContact SD-CE2 3.87Å; V110-F142 HydrophobicContact CG2-CE1 3.81Å; V110-F142 HydrophobicContact CG2-CZ 3.83Å; A138-F142 VanDerWaalsContact O-CD2 3.32Å; A138-F142 WeakPolarHBondContact O-CD2 3.48Å; A138-F142 WeakPolarHBondContact O-CE2 3.43Å; V139-F142 PolarHBondContact O-N 3.44Å; G140-F142 VanDerWaalsContact C-N 3.29Å; F142-E144 WeakPolarHBondContact CB-O 3.31Å; F142-R146 HydrophobicContact CB-CB 3.89Å; F142-R146 HydrophobicContact CD1-CB 4.25Å; F142-R146 HydrophobicContact CD1-CG 4.19Å; F142-R146 HydrophobicContact CD2-CB 3.85Å; F142-R146 HydrophobicContact CD2-CG 3.87Å; F142-R146 HydrophobicContact CE1-CG 4.3Å; F142-R146 HydrophobicContact CE2-CB 4.47Å; F142-R146 HydrophobicContact CE2-CG 3.99Å; F142-R146 HydrophobicContact CG-CB 3.73Å; F142-R146 HydrophobicContact CG-CG 3.99Å; F142-R146 HydrophobicContact CZ-CG 4.21Å
143	N	87.9	Confident	94.3	Very high	72 Å²	72	17 Å²	17	39%	0.385	10%	0.096	S	C	.	.	S	Bend	trans	-77.7	-41.4	175.6	-70.2	-68.8	0	0	0	110.5	L45 E50	L45-N143 PolarHBondContact O-ND2 3.25Å; E50-N143 WeakPolarHBondContact OE1-CB 3.4Å; E50-N143 VanDerWaalsContact OE1-CG 3.32Å; E50-N143 PolarHBondContact OE1-N 2.7Å; E50-N143 PolarHBondContact OE1-ND2 2.8Å; E50-N143 PolarHBondContact OE2-N 2.79Å
144	E	85.2	Confident	94.3	Very high	47 Å²	47	16.9 Å²	16.9	22%	0.22	10%	0.096	C	C	.	.	S	Bend	trans	-82.6	147.1	171.9	-68.9	173.5	-167.8	0	0	110.9	R51 Y56 F142 R146 R540	R51-E144 IonicContact NH2-OE1 2.71Å; Y56-E144 WeakPolarHBondContact CE2-OE2 3.44Å; Y56-E144 PolarHBondContact OH-OE1 2.78Å; Y56-E144 PolarHBondContact OH-OE2 2.75Å; F142-E144 WeakPolarHBondContact CB-O 3.31Å; E144-R146 PolarHBondContact O-N 2.82Å; E144-R540 IonicContact OE2-CZ 2.72Å; E144-R540 IonicContact OE2-NH1 3.7Å; E144-R540 IonicContact OE2-NH2 2.7Å; E144-R540 PolarHBondContact OE2-NH2 3.44Å
145	P	88.3	Confident	94	Very high	57 Å²	57	18.1 Å²	18.1	37%	0.37	10%	0.101	S	C	.	.			trans	-55.5	96.9	173.7	-27.3	36.7	0	0	0	112.4	W497 M513 L515	P145-W497 HydrophobicContact CB-CH2 3.91Å; P145-M513 HydrophobicContact CB-CB 4.23Å; P145-L515 HydrophobicContact CG-CD1 3.82Å; P145-L515 HydrophobicContact CG-CG 4.2Å
146	R	92.6	Very high	93.5	Very high	21 Å²	21	18.3 Å²	18.3	8%	0.079	10%	0.103	C	C	.	.			trans	-81.3	120	178.7	-172.4	58	137.7	-143.2	-1	109.9	M109 V139 F142 E144 V148	M109-R146 PolarHBondContact O-NH2 3.02Å; V139-R146 HydrophobicContact CG1-CB 4.33Å; V139-R146 WeakPolarHBondContact CG1-O 3.33Å; F142-R146 HydrophobicContact CB-CB 3.89Å; F142-R146 HydrophobicContact CD1-CB 4.25Å; F142-R146 HydrophobicContact CD1-CG 4.19Å; F142-R146 HydrophobicContact CD2-CB 3.85Å; F142-R146 HydrophobicContact CD2-CG 3.87Å; F142-R146 HydrophobicContact CE1-CG 4.3Å; F142-R146 HydrophobicContact CE2-CB 4.47Å; F142-R146 HydrophobicContact CE2-CG 3.99Å; F142-R146 HydrophobicContact CG-CB 3.73Å; F142-R146 HydrophobicContact CG-CG 3.99Å; F142-R146 HydrophobicContact CZ-CG 4.21Å; E144-R146 PolarHBondContact O-N 2.82Å; R146-V148 HydrophobicContact CG-CG2 4.19Å
147	V	95.6	Very high	93.1	Very high	14 Å²	14	17.3 Å²	17.3	9%	0.085	10%	0.1	C	C	.	.			trans	-94.3	113.2	179.9	-174.9	0	0	0	0	109.1	W497 S500 R501 H504 P511 M513	V147-W497 HydrophobicContact CG2-CZ3 4.43Å; V147-S500 WeakPolarHBondContact CG1-O 3.46Å; V147-S500 WeakPolarHBondContact CG1-OG 3.49Å; V147-S500 VanDerWaalsContact CG2-OG 3.31Å; V147-S500 WeakPolarHBondContact CG2-OG 3.3Å; V147-R501 HydrophobicContact CG1-CG 4.03Å; V147-H504 PolarHBondContact O-NE2 3.38Å; V147-P511 HydrophobicContact CB-CG 4.16Å; V147-P511 HydrophobicContact CG1-CB 4.32Å; V147-P511 HydrophobicContact CG1-CG 3.85Å; V147-P511 HydrophobicContact CG2-CG 4.49Å; V147-M513 HydrophobicContact CG2-CB 4.23Å
148	V	97.7	Very high	92.6	Very high	8 Å²	8	19.1 Å²	19.1	5%	0.048	11%	0.109	C	C	.	.			trans	-133.9	128.6	172.7	176.8	0	0	0	0	107.5	M109 M113 N114 V139 R146 R501	M109-V148 HydrophobicContact CE-CG1 4.32Å; M109-V148 HydrophobicContact CE-CG2 4.23Å; M109-V148 HydrophobicContact CG-CG2 3.9Å; M109-V148 HydrophobicContact SD-CG2 3.99Å; M113-V148 HydrophobicContact CE-CG1 4.44Å; N114-V148 WeakPolarHBondContact O-CA 3.34Å; V139-V148 HydrophobicContact CG2-CB 4.08Å; V139-V148 HydrophobicContact CG2-CG2 4.13Å; R146-V148 HydrophobicContact CG-CG2 4.19Å; V148-R501 VanDerWaalsContact O-CD 3.27Å; V148-R501 WeakPolarHBondContact O-CD 3.23Å; V148-R501 WeakPolarHBondContact O-CG 3.47Å
149	A	98.6	Very high	92.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	153.7	176.9	0	0	0	0	0	111.3	N114 I115 A116 D278 I279 R501	N114-A149 PolarHBondContact O-N 3.22Å; I115-A149 CarbonylContact C-O 3.26Å; I115-A149 WeakPolarHBondContact CA-O 3.24Å; I115-A149 HydrophobicContact CB-CB 4.41Å; I115-A149 HydrophobicContact CG1-CB 4.05Å; I115-A149 HydrophobicContact CG2-CB 4.15Å; A116-A149 PolarHBondContact N-O 3.02Å; A149-D278 WeakPolarHBondContact CA-OD2 3.47Å; A149-D278 HydrophobicContact CB-CB 4.26Å; A149-I279 HydrophobicContact CB-CD1 4.16Å; A149-R501 HydrophobicContact CB-CB 3.86Å; A149-R501 WeakPolarHBondContact CB-O 3.44Å
150	I	98.7	Very high	92.4	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128	172.9	-55.6	-178.8	0	0	0	108.2	L118 I132 I135 V277 D278 I279	L118-I150 HydrophobicContact CD1-CG2 3.91Å; L118-I150 HydrophobicContact CG-CG2 4.28Å; I132-I150 HydrophobicContact CG1-CD1 4.46Å; I132-I150 HydrophobicContact CG1-CG2 4.31Å; I132-I150 HydrophobicContact CG2-CD1 3.82Å; I135-I150 HydrophobicContact CB-CD1 4.35Å; I135-I150 HydrophobicContact CD1-CD1 4.41Å; I135-I150 HydrophobicContact CD1-CG1 4.5Å; I135-I150 HydrophobicContact CG2-CD1 3.93Å; I135-I150 HydrophobicContact CG2-CG1 4.11Å; I150-V277 HydrophobicContact CG2-CG1 4.41Å; I150-V277 HydrophobicContact CG2-CG2 4.31Å; I150-V277 VanDerWaalsContact O-CG1 3.3Å; I150-V277 WeakPolarHBondContact O-CG1 3.32Å; I150-D278 PolarHBondContact N-OD2 3.32Å; I150-D278 WeakPolarHBondContact O-CB 3.35Å; I150-D278 PolarHBondContact O-N 2.9Å; I150-I279 PolarHBondContact O-N 3.03Å
151	A	98.8	Very high	92.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.8	176.6	0	0	0	0	0	110.7	I115 A116 R117 L118 I279 F281	I115-A151 HydrophobicContact CG2-CB 3.8Å; A116-A151 PolarHBondContact O-N 3.29Å; R117-A151 CarbonylContact C-O 3.57Å; R117-A151 WeakPolarHBondContact CA-O 3.4Å; L118-A151 PolarHBondContact N-O 3.38Å; A151-I279 CarbonylContact C-O 3.5Å; A151-I279 VanDerWaalsContact CA-O 3.26Å; A151-I279 WeakPolarHBondContact CA-O 3.31Å; A151-I279 HydrophobicContact CB-CB 3.97Å; A151-I279 HydrophobicContact CB-CG2 4.43Å; A151-F281 HydrophobicContact CB-CD1 4.38Å; A151-F281 HydrophobicContact CB-CD2 4.03Å; A151-F281 HydrophobicContact CB-CE1 3.93Å; A151-F281 HydrophobicContact CB-CE2 3.47Å; A151-F281 VanDerWaalsContact CB-CE2 3.47Å; A151-F281 HydrophobicContact CB-CG 4.46Å; A151-F281 HydrophobicContact CB-CZ 3.42Å; A151-F281 VanDerWaalsContact CB-CZ 3.42Å
152	L	98.5	Very high	92.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.5	168.9	-178.2	152.7	0	0	0	108.8	F120 T154 D268 F271 A272 V277 I279 I280 F281	F120-L152 HydrophobicContact CD1-CD1 3.97Å; F120-L152 HydrophobicContact CD1-CG 4.35Å; F120-L152 HydrophobicContact CD2-CD1 3.89Å; F120-L152 HydrophobicContact CD2-CD2 4.32Å; F120-L152 HydrophobicContact CD2-CG 3.61Å; F120-L152 HydrophobicContact CE1-CD1 3.57Å; F120-L152 HydrophobicContact CE1-CG 4.34Å; F120-L152 HydrophobicContact CE2-CB 4.48Å; F120-L152 HydrophobicContact CE2-CD1 3.5Å; F120-L152 HydrophobicContact CE2-CG 3.61Å; F120-L152 HydrophobicContact CG-CD1 4.12Å; F120-L152 HydrophobicContact CG-CD2 4.29Å; F120-L152 HydrophobicContact CG-CG 4Å; F120-L152 HydrophobicContact CZ-CD1 3.33Å; F120-L152 HydrophobicContact CZ-CG 4Å; L152-T154 HydrophobicContact CD2-CG2 3.8Å; L152-D268 WeakPolarHBondContact CD1-O 3.46Å; L152-F271 HydrophobicContact CD1-CD1 4.12Å; L152-A272 HydrophobicContact CD1-CB 3.96Å; L152-V277 HydrophobicContact CB-CG1 3.96Å; L152-I279 PolarHBondContact N-O 3.38Å; L152-I280 HydrophobicContact CB-CD1 3.99Å; L152-I280 HydrophobicContact CD2-CD1 4.29Å; L152-I280 CarbonylContact O-C 3.21Å; L152-I280 WeakPolarHBondContact O-CA 3.38Å; L152-F281 PolarHBondContact O-N 2.88Å
153	D	98	Very high	92.8	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	112.6	172.9	-166.2	-36.3	0	0	0	109.6	R117 L118 F120 F281 S283 K310	R117-D153 HydrophobicContact CG-CB 4.21Å; R117-D153 IonicContact CZ-OD2 2.7Å; R117-D153 IonicContact NE-OD2 3.18Å; R117-D153 PolarHBondContact NE-OD2 2.79Å; R117-D153 VanDerWaalsContact NH2-CG 3.31Å; R117-D153 IonicContact NH2-OD1 2.68Å; R117-D153 IonicContact NH2-OD2 2.73Å; R117-D153 PolarHBondContact NH2-OD2 2.92Å; L118-D153 PolarHBondContact O-N 3.3Å; F120-D153 VanDerWaalsContact CB-O 3.31Å; F120-D153 WeakPolarHBondContact CB-O 3.38Å; F120-D153 PolarHBondContact N-O 3.38Å; D153-F281 WeakPolarHBondContact CA-O 3.45Å; D153-F281 HydrophobicContact CB-CB 4.04Å; D153-F281 HydrophobicContact CB-CD2 4.14Å; D153-S283 PolarHBondContact OD1-OG 3.32Å; D153-K310 WeakPolarHBondContact OD1-CD 3.42Å; D153-K310 WeakPolarHBondContact OD1-CE 3.41Å; D153-K310 IonicContact OD1-NZ 3.07Å; D153-K310 PolarHBondContact OD1-NZ 2.99Å; D153-K310 VanDerWaalsContact OD2-CE 3.27Å; D153-K310 WeakPolarHBondContact OD2-CE 3.38Å; D153-K310 IonicContact OD2-NZ 2.82Å
154	T	95.2	Very high	93.1	Very high	5 Å²	5	16.5 Å²	16.5	3%	0.031	9%	0.086	C	C	.	.			trans	-65.7	152.4	-175	55.4	0	0	0	0	111.3	L152 L269 I280 F281 S283	L152-T154 HydrophobicContact CD2-CG2 3.8Å; T154-L269 HydrophobicContact CG2-CD2 4.45Å; T154-I280 HydrophobicContact CG2-CG2 3.85Å; T154-F281 PolarHBondContact N-O 3.48Å; T154-F281 PolarHBondContact OG1-O 3.49Å; T154-S283 WeakPolarHBondContact O-CB 3.48Å; T154-S283 PolarHBondContact O-OG 3.26Å; T154-S283 PolarHBondContact OG1-N 2.99Å; T154-S283 PolarHBondContact OG1-OG 3.35Å
155	K	89.3	Confident	93.2	Very high	40 Å²	40	17.7 Å²	17.7	17%	0.174	10%	0.104	C	C	.	.			trans	-64.5	-45	169.6	-179.3	-173.5	166.8	57.5	0	110.8	E158 K264	K155-E158 IonicContact NZ-OE2 2.72Å; K155-E158 PolarHBondContact NZ-OE2 3.09Å; K155-K264 HydrophobicContact CD-CD 3.84Å
156	G	85.6	Confident	93.1	Very high	5 Å²	5	18.2 Å²	18.2	5%	0.052	11%	0.109	C	C	.	.			trans	70.2	-175	-176.9	0	0	0	0	0	113.9	E158 D265	G156-E158 PolarHBondContact O-N 3.43Å; G156-D265 PolarHBondContact N-OD1 3.04Å
157	P	85	Confident	92.7	Very high	20 Å²	20	18.6 Å²	18.6	13%	0.13	12%	0.12	C	C	.	.	S	Bend	trans	-77.6	58.6	-177	33.6	-38	0	0	0	112.6	L258 F284	P157-L258 HydrophobicContact CB-CB 3.59Å; P157-L258 HydrophobicContact CB-CD1 3.94Å; P157-L258 HydrophobicContact CB-CG 4.42Å; P157-L258 WeakPolarHBondContact O-CD1 3.43Å; P157-F284 HydrophobicContact CG-CB 3.79Å; P157-F284 HydrophobicContact CG-CG 4.45Å
158	E	84.2	Confident	92	Very high	39 Å²	39	21.7 Å²	21.7	18%	0.182	14%	0.139	C	C	.	.			trans	-72.9	139.7	173.5	-69.8	174	-175.6	0	0	111.1	S121 K155 G156 R160 F284	S121-E158 PolarHBondContact OG-OE1 3.41Å; K155-E158 IonicContact NZ-OE2 2.72Å; K155-E158 PolarHBondContact NZ-OE2 3.09Å; G156-E158 PolarHBondContact O-N 3.43Å; E158-R160 IonicContact OE1-NH2 2.85Å; E158-R160 IonicContact OE2-CZ 3.96Å; E158-R160 IonicContact OE2-NE 2.77Å; E158-R160 PolarHBondContact OE2-NE 3.33Å; E158-R160 IonicContact OE2-NH2 3.77Å; E158-R160 PolarHBondContact OE2-NH2 3.28Å; E158-F284 HydrophobicContact CG-CE2 3.73Å; E158-F284 HydrophobicContact CG-CZ 4.4Å
159	I	92.1	Very high	91.2	Very high	8 Å²	8	28.9 Å²	28.9	4%	0.041	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	136.8	167.3	-52.7	172.9	0	0	0	108	D200 Y201 G248 V249 L251 V256 L258	I159-D200 WeakPolarHBondContact CA-OD1 3.45Å; I159-D200 WeakPolarHBondContact CG2-OD1 3.42Å; I159-Y201 HydrophobicContact CD1-CD1 3.62Å; I159-Y201 HydrophobicContact CD1-CE1 4.31Å; I159-Y201 HydrophobicContact CD1-CG 3.88Å; I159-Y201 HydrophobicContact CG1-CD1 4.46Å; I159-Y201 HydrophobicContact CG1-CG 4.24Å; I159-G248 CarbonylContact O-C 3.57Å; I159-G248 WeakPolarHBondContact O-CA 3.45Å; I159-V249 HydrophobicContact CB-CB 3.98Å; I159-V249 HydrophobicContact CG2-CB 3.77Å; I159-V249 HydrophobicContact CG2-CG1 4.23Å; I159-V249 HydrophobicContact CG2-CG2 4.3Å; I159-V249 PolarHBondContact O-N 3.34Å; I159-L251 HydrophobicContact CD1-CD1 3.54Å; I159-L251 HydrophobicContact CD1-CG 3.96Å; I159-V256 HydrophobicContact CD1-CG1 4.37Å; I159-L258 HydrophobicContact CG1-CD1 3.89Å
160	R	93.4	Very high	90.6	Very high	51 Å²	51	29.9 Å²	29.9	19%	0.192	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	153	-179.8	-67	-168.5	170.9	-127	6.9	114.2	E158 V199 D200 R246 K247	E158-R160 IonicContact OE1-NH2 2.85Å; E158-R160 IonicContact OE2-CZ 3.96Å; E158-R160 IonicContact OE2-NE 2.77Å; E158-R160 PolarHBondContact OE2-NE 3.33Å; E158-R160 IonicContact OE2-NH2 3.77Å; E158-R160 PolarHBondContact OE2-NH2 3.28Å; R160-V199 WeakPolarHBondContact O-CA 3.27Å; R160-D200 PolarHBondContact N-OD1 2.99Å; R160-D200 PolarHBondContact N-OD2 3.38Å; R160-D200 PolarHBondContact O-N 3.43Å; R160-D200 VanDerWaalsContact O-N 3.08Å; R160-R246 PolarHBondContact NH1-O 3Å; R160-K247 CarbonylContact C-O 3.6Å; R160-K247 VanDerWaalsContact CA-O 3.24Å; R160-K247 WeakPolarHBondContact CA-O 3.41Å
161	T	95.9	Very high	90.2	Very high	7 Å²	7	34.8 Å²	34.8	4%	0.043	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-74.1	160.1	170.5	63.9	0	0	0	0	112.3	V197 Y198 I216 R246 K247 V249	T161-V197 HydrophobicContact CG2-CG1 3.87Å; T161-Y198 CarbonylContact C-O 3.53Å; T161-Y198 VanDerWaalsContact CA-O 3.23Å; T161-Y198 WeakPolarHBondContact CA-O 3.46Å; T161-I216 HydrophobicContact CG2-CD1 4.44Å; T161-I216 HydrophobicContact CG2-CG2 3.86Å; T161-R246 VanDerWaalsContact O-CA 3.25Å; T161-R246 WeakPolarHBondContact O-CA 3.38Å; T161-R246 PolarHBondContact OG1-N 3.32Å; T161-K247 PolarHBondContact N-O 3.21Å; T161-K247 PolarHBondContact OG1-N 3.4Å; T161-V249 HydrophobicContact CG2-CG2 3.75Å
162	G	94.1	Very high	89.9	Confident	6 Å²	6	37.7 Å²	37.7	6%	0.062	22%	0.219	C	C	.	.			trans	-73.8	-162	173.3	0	0	0	0	0	114.3	Q189 Y198 R246	G162-Q189 CarbonylContact C-O 3.57Å; G162-Q189 VanDerWaalsContact CA-O 3.3Å; G162-Q189 WeakPolarHBondContact CA-O 3.41Å; G162-Y198 PolarHBondContact N-O 3.44Å; G162-R246 PolarHBondContact O-N 3.22Å; G162-R246 VanDerWaalsContact O-N 3.11Å
163	V	94.4	Very high	89.6	Confident	11 Å²	11	42.2 Å²	42.2	7%	0.067	24%	0.243	C	C	.	.			trans	-104.7	137.5	171.6	-177.4	0	0	0	0	109.1	V168 Q189 E190 A191 S192 N245 R246	V163-V168 HydrophobicContact CG1-CG1 3.77Å; V163-V168 HydrophobicContact CG2-CG1 4.35Å; V163-Q189 PolarHBondContact N-O 3.04Å; V163-E190 CarbonylContact O-C 3.55Å; V163-E190 WeakPolarHBondContact O-CA 3.36Å; V163-A191 PolarHBondContact O-N 3.35Å; V163-S192 WeakPolarHBondContact O-CB 3.29Å; V163-S192 PolarHBondContact O-N 3.36Å; V163-N245 VanDerWaalsContact CA-OD1 3.24Å; V163-N245 WeakPolarHBondContact CA-OD1 3.44Å; V163-R246 HydrophobicContact CG2-CG 4.32Å
164	F	93.2	Very high	89.5	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.018	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-68.8	145.3	173.7	-74.4	-73.4	0	0	0	110.9	S166 G167 S170 K172 S192 T193 V197 L243 G244 N245	F164-S166 PolarHBondContact O-N 2.75Å; F164-G167 PolarHBondContact O-N 2.91Å; F164-S170 WeakPolarHBondContact CB-OG 3.48Å; F164-K172 HydrophobicContact CD1-CG 3.62Å; F164-K172 HydrophobicContact CD2-CG 4.45Å; F164-K172 HydrophobicContact CE1-CB 3.88Å; F164-K172 HydrophobicContact CE1-CG 3.4Å; F164-K172 HydrophobicContact CE2-CB 4.5Å; F164-K172 HydrophobicContact CE2-CG 4.27Å; F164-K172 HydrophobicContact CG-CG 4.17Å; F164-K172 HydrophobicContact CZ-CB 3.84Å; F164-K172 HydrophobicContact CZ-CG 3.76Å; F164-S192 CarbonylContact C-O 3.57Å; F164-S192 VanDerWaalsContact CA-O 3.28Å; F164-S192 WeakPolarHBondContact CA-O 2.93Å; F164-S192 WeakPolarHBondContact CD1-O 3.39Å; F164-T193 WeakPolarHBondContact CE1-O 3.22Å; F164-V197 HydrophobicContact CE1-CG2 4.32Å; F164-L243 HydrophobicContact CE2-CB 4.44Å; F164-L243 HydrophobicContact CE2-CD2 4.49Å; F164-L243 HydrophobicContact CE2-CG 4Å; F164-L243 WeakPolarHBondContact CE2-O 3.31Å; F164-L243 HydrophobicContact CZ-CB 4.12Å; F164-L243 HydrophobicContact CZ-CD2 3.82Å; F164-L243 HydrophobicContact CZ-CG 3.75Å; F164-G244 WeakPolarHBondContact CE2-O 3.28Å; F164-N245 VanDerWaalsContact CD2-OD1 3.3Å; F164-N245 WeakPolarHBondContact CD2-OD1 3.41Å; F164-N245 PolarHBondContact N-OD1 3.42Å
165	A	87.7	Confident	89.5	Confident	72 Å²	72	47.8 Å²	47.8	60%	0.595	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-21.4	176.2	0	0	0	0	0	113.3	G167 S192	A165-G167 VanDerWaalsContact C-N 3.28Å; A165-G167 PolarHBondContact O-N 2.89Å; A165-S192 PolarHBondContact N-O 3.26Å
166	S	86.2	Confident	89.9	Confident	68 Å²	68	53.6 Å²	53.6	48%	0.476	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	1.4	174.4	39.5	0	0	0	0	114.7	F164 S170	F164-S166 PolarHBondContact O-N 2.75Å; S166-S170 WeakPolarHBondContact CB-OG 3.39Å; S166-S170 WeakPolarHBondContact OG-CB 3.48Å; S166-S170 PolarHBondContact OG-OG 2.77Å
167	G	83.8	Confident	90.4	Very high	30 Å²	30	55.8 Å²	55.8	31%	0.309	32%	0.315	S	S	.	.			trans	100.4	171	176.2	0	0	0	0	0	114.8	F164 A165 D169 S170 N245	F164-G167 PolarHBondContact O-N 2.91Å; A165-G167 VanDerWaalsContact C-N 3.28Å; A165-G167 PolarHBondContact O-N 2.89Å; G167-D169 VanDerWaalsContact C-N 3.29Å; G167-D169 PolarHBondContact O-N 2.67Å; G167-S170 WeakPolarHBondContact O-CB 3.22Å; G167-S170 PolarHBondContact O-N 3.17Å; G167-S170 VanDerWaalsContact O-N 3.09Å; G167-S170 PolarHBondContact O-OG 2.81Å; G167-N245 PolarHBondContact O-ND2 3.16Å
168	V	80.8	Confident	91	Very high	79 Å²	79	58.6 Å²	58.6	48%	0.479	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-20.2	-170.3	-66.4	0	0	0	0	115.6	V163 N245	V163-V168 HydrophobicContact CG1-CG1 3.77Å; V163-V168 HydrophobicContact CG2-CG1 4.35Å; V168-N245 WeakPolarHBondContact CA-ND2 3.18Å; V168-N245 PolarHBondContact O-ND2 3.33Å
169	D	82.2	Confident	91.6	Very high	159 Å²	159	65 Å²	65	85%	0.85	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	2.3	177	-61.1	-42.9	0	0	0	112.5	G167	G167-D169 VanDerWaalsContact C-N 3.29Å; G167-D169 PolarHBondContact O-N 2.67Å
170	S	85.7	Confident	91.9	Very high	20 Å²	20	64.8 Å²	64.8	14%	0.14	35%	0.352	C	S	.	.			trans	-84.8	141.3	-178.9	70.7	0	0	0	0	112.3	F164 S166 G167 N245	F164-S170 WeakPolarHBondContact CB-OG 3.48Å; S166-S170 WeakPolarHBondContact CB-OG 3.39Å; S166-S170 WeakPolarHBondContact OG-CB 3.48Å; S166-S170 PolarHBondContact OG-OG 2.77Å; G167-S170 WeakPolarHBondContact O-CB 3.22Å; G167-S170 PolarHBondContact O-N 3.17Å; G167-S170 VanDerWaalsContact O-N 3.09Å; G167-S170 PolarHBondContact O-OG 2.81Å; S170-N245 PolarHBondContact O-ND2 3.33Å
171	E	89.8	Confident	92.1	Very high	105 Å²	105	66.5 Å²	66.5	49%	0.491	36%	0.359	S	S	.	.			trans	-118.7	149.3	172	-64.2	-179.5	163.5	0	0	109.8	K242 L243	E171-K242 WeakPolarHBondContact OE2-CD 3.41Å; E171-K242 IonicContact OE2-NZ 2.79Å; E171-K242 PolarHBondContact OE2-NZ 2.9Å; E171-L243 CarbonylContact C-O 3.57Å; E171-L243 VanDerWaalsContact CA-O 3.26Å; E171-L243 WeakPolarHBondContact CA-O 3.3Å
172	K	91.9	Very high	92.2	Very high	62 Å²	62	66.3 Å²	66.3	27%	0.27	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137	172.2	-62.8	-61.6	179.4	179.2	0	110.3	F164 E194 K242 L243	F164-K172 HydrophobicContact CD1-CG 3.62Å; F164-K172 HydrophobicContact CD2-CG 4.45Å; F164-K172 HydrophobicContact CE1-CB 3.88Å; F164-K172 HydrophobicContact CE1-CG 3.4Å; F164-K172 HydrophobicContact CE2-CB 4.5Å; F164-K172 HydrophobicContact CE2-CG 4.27Å; F164-K172 HydrophobicContact CG-CG 4.17Å; F164-K172 HydrophobicContact CZ-CB 3.84Å; F164-K172 HydrophobicContact CZ-CG 3.76Å; K172-E194 HydrophobicContact CB-CB 4.32Å; K172-E194 HydrophobicContact CG-CB 4.43Å; K172-K242 CarbonylContact O-C 3.18Å; K172-K242 WeakPolarHBondContact O-CA 3.43Å; K172-L243 PolarHBondContact N-O 3.34Å; K172-L243 PolarHBondContact O-N 3.42Å
173	D	93.9	Very high	92.4	Very high	94 Å²	94	66.2 Å²	66.2	50%	0.503	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	105.9	178.9	-171.5	30	0	0	0	109.2
174	L	94.7	Very high	92.5	Very high	3 Å²	3	66.3 Å²	66.3	2%	0.016	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	122.3	178.7	-55.7	-176.2	0	0	0	109	L180 I221 V237 G240 G241 L243	L174-L180 HydrophobicContact CD1-CD2 3.93Å; L174-I221 HydrophobicContact CD1-CD1 4.22Å; L174-I221 HydrophobicContact CD1-CG2 4.03Å; L174-V237 HydrophobicContact CB-CG1 4.49Å; L174-V237 HydrophobicContact CB-CG2 4.39Å; L174-G240 CarbonylContact O-C 3.51Å; L174-G240 WeakPolarHBondContact O-CA 3.17Å; L174-G241 PolarHBondContact N-O 2.88Å; L174-G241 PolarHBondContact O-N 3.36Å; L174-L243 HydrophobicContact CD1-CB 4.01Å; L174-L243 HydrophobicContact CD1-CD2 3.94Å; L174-L243 HydrophobicContact CG-CB 4.16Å
175	K	95.7	Very high	92.7	Very high	121 Å²	121	68.1 Å²	68.1	53%	0.526	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-98.2	143.1	-177.8	-54.2	176.9	-172	157	0	111.8	G177 E178 V237	K175-G177 PolarHBondContact O-N 2.94Å; K175-E178 HydrophobicContact CB-CG 4.02Å; K175-E178 PolarHBondContact N-OE2 2.98Å; K175-E178 VanDerWaalsContact N-OE2 3.12Å; K175-E178 WeakPolarHBondContact O-CB 3.44Å; K175-E178 PolarHBondContact O-N 2.85Å; K175-E178 VanDerWaalsContact O-N 3.07Å; K175-V237 WeakPolarHBondContact O-CB 3.38Å
176	K	97	Very high	93.1	Very high	161 Å²	161	68.9 Å²	68.9	70%	0.7	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	130.7	175	179.5	171.9	-175.3	174.3	0	111.1	E178 E238	K176-E178 VanDerWaalsContact C-N 3.33Å; K176-E238 WeakPolarHBondContact CD-O 3.45Å; K176-E238 WeakPolarHBondContact CE-O 3.24Å; K176-E238 WeakPolarHBondContact CG-O 3.49Å
177	G	97.1	Very high	93.5	Very high	51 Å²	51	71.9 Å²	71.9	53%	0.526	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	-11.8	-179.7	0	0	0	0	0	114.8	K175 V237	K175-G177 PolarHBondContact O-N 2.94Å; G177-V237 PolarHBondContact N-O 3.27Å
178	E	96.8	Very high	94.1	Very high	79 Å²	79	74 Å²	74	37%	0.369	36%	0.364	S	S	.	.			trans	-70.1	153.6	174.4	-68.8	-179.6	162.4	0	0	111.3	K175 K176 V236 V237	K175-E178 HydrophobicContact CB-CG 4.02Å; K175-E178 PolarHBondContact N-OE2 2.98Å; K175-E178 VanDerWaalsContact N-OE2 3.12Å; K175-E178 WeakPolarHBondContact O-CB 3.44Å; K175-E178 PolarHBondContact O-N 2.85Å; K175-E178 VanDerWaalsContact O-N 3.07Å; K176-E178 VanDerWaalsContact C-N 3.33Å; E178-V236 WeakPolarHBondContact O-CA 3.32Å; E178-V237 PolarHBondContact O-N 3.03Å
179	K	97.5	Very high	94.7	Very high	174 Å²	174	74.7 Å²	74.7	76%	0.757	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	133.9	174.7	-67.2	-175.9	179.7	-178.4	0	109.3	C235	K179-C235 WeakPolarHBondContact CA-O 3.49Å
180	L	97.6	Very high	95.3	Very high	3 Å²	3	72.8 Å²	72.8	2%	0.016	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	129.2	176.3	-179.1	63.7	0	0	0	108.7	L174 L182 E194 V197 L223 C235 V237	L174-L180 HydrophobicContact CD1-CD2 3.93Å; L180-L182 HydrophobicContact CD2-CD2 4.23Å; L180-L182 HydrophobicContact CG-CD2 4.46Å; L180-E194 WeakPolarHBondContact CD1-O 3.31Å; L180-V197 HydrophobicContact CD1-CB 4.48Å; L180-V197 HydrophobicContact CD1-CG2 3.89Å; L180-L223 HydrophobicContact CD2-CD1 3.72Å; L180-L223 HydrophobicContact CD2-CD2 3.84Å; L180-L223 HydrophobicContact CD2-CG 4.45Å; L180-C235 PolarHBondContact N-O 3.31Å; L180-C235 WeakPolarHBondContact O-CA 3.34Å; L180-C235 WeakPolarHBondContact O-CB 3.47Å; L180-C235 PolarHBondContact O-N 3.37Å; L180-V237 HydrophobicContact CB-CG2 4.36Å
181	R	98.3	Very high	95.7	Very high	88 Å²	88	73.5 Å²	73.5	33%	0.332	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	121.7	170.7	179.7	166.1	-70.1	-173.3	-5.4	109.8	S195 L196 V197 Y232 L233 D234	R181-S195 PolarHBondContact N-O 3.46Å; R181-L196 CarbonylContact O-C 3.58Å; R181-L196 VanDerWaalsContact O-CA 3.28Å; R181-L196 WeakPolarHBondContact O-CA 2.99Å; R181-V197 PolarHBondContact O-N 3.09Å; R181-Y232 HydrophobicContact CG-CD2 4.2Å; R181-Y232 HydrophobicContact CG-CG 4.34Å; R181-L233 CarbonylContact C-O 3.53Å; R181-L233 WeakPolarHBondContact CA-O 3.38Å; R181-D234 IonicContact CZ-OD1 3.78Å; R181-D234 IonicContact NE-OD1 3.27Å; R181-D234 PolarHBondContact NE-OD1 3.39Å; R181-D234 IonicContact NH2-OD1 2.75Å; R181-D234 PolarHBondContact NH2-OD1 3.47Å; R181-D234 IonicContact NH2-OD2 3.22Å; R181-D234 PolarHBondContact NH2-OD2 2.78Å
182	L	98.2	Very high	95.9	Very high	2 Å²	2	68.6 Å²	68.6	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	134.9	162.8	-57.5	-178.8	0	0	0	108.3	L180 V197 V199 V214 I216 L223 Y232 L233	L180-L182 HydrophobicContact CD2-CD2 4.23Å; L180-L182 HydrophobicContact CG-CD2 4.46Å; L182-V197 CarbonylContact C-O 3.55Å; L182-V197 VanDerWaalsContact CA-O 3.31Å; L182-V197 WeakPolarHBondContact CA-O 3.27Å; L182-V197 HydrophobicContact CD2-CB 4.03Å; L182-V197 HydrophobicContact CD2-CG1 4.29Å; L182-V199 HydrophobicContact CD2-CG1 4.34Å; L182-V214 HydrophobicContact CD1-CB 4.31Å; L182-V214 HydrophobicContact CD1-CG1 3.88Å; L182-V214 HydrophobicContact CD1-CG2 4.26Å; L182-I216 HydrophobicContact CD2-CD1 4.33Å; L182-L223 HydrophobicContact CD1-CD1 3.92Å; L182-L223 HydrophobicContact CD2-CD1 3.96Å; L182-L223 HydrophobicContact CG-CD1 4.14Å; L182-Y232 CarbonylContact O-C 3.47Å; L182-Y232 WeakPolarHBondContact O-CA 3.14Å; L182-Y232 VanDerWaalsContact O-CB 3.3Å; L182-Y232 WeakPolarHBondContact O-CB 3.09Å; L182-L233 HydrophobicContact CB-CB 4.32Å; L182-L233 PolarHBondContact N-O 3.14Å; L182-L233 PolarHBondContact O-N 3.36Å
183	T	97.9	Very high	96	Very high	5 Å²	5	68.1 Å²	68.1	3%	0.031	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	150.1	179	-176.5	0	0	0	0	111.8	D185 Y188 L196 V197 Y198 V199 D231	T183-D185 PolarHBondContact OG1-N 2.9Å; T183-Y188 HydrophobicContact CG2-CD2 3.72Å; T183-Y188 HydrophobicContact CG2-CG 4.24Å; T183-L196 HydrophobicContact CG2-CD1 4.44Å; T183-L196 HydrophobicContact CG2-CD2 3.6Å; T183-L196 HydrophobicContact CG2-CG 4Å; T183-V197 PolarHBondContact N-O 2.91Å; T183-Y198 CarbonylContact O-C 3.51Å; T183-Y198 VanDerWaalsContact O-CA 3.29Å; T183-Y198 WeakPolarHBondContact O-CA 3.41Å; T183-V199 PolarHBondContact O-N 3.13Å; T183-D231 WeakPolarHBondContact CA-O 3.15Å; T183-D231 PolarHBondContact OG1-O 2.87Å
184	T	97.5	Very high	95.8	Very high	12 Å²	12	69.2 Å²	69.2	7%	0.074	34%	0.337	C	S	.	.			trans	-103.2	6.8	174.3	56	0	0	0	0	112.8	D186 V199 Y201 K202 I204 D231	T184-D186 PolarHBondContact O-N 2.91Å; T184-V199 HydrophobicContact CG2-CG2 4.01Å; T184-Y201 WeakPolarHBondContact CG2-O 3.23Å; T184-K202 PolarHBondContact O-NZ 3.36Å; T184-I204 HydrophobicContact CG2-CG2 3.5Å; T184-D231 PolarHBondContact N-O 2.95Å; T184-D231 PolarHBondContact OG1-O 2.61Å
185	D	97.1	Very high	95.7	Very high	42 Å²	42	72.5 Å²	72.5	23%	0.225	36%	0.36	C	S	.	.			trans	-72.8	118.3	178.7	-175.9	-17	0	0	0	110.6	T183 K187 Y188 Y198	T183-D185 PolarHBondContact OG1-N 2.9Å; D185-K187 PolarHBondContact O-N 2.64Å; D185-K187 WeakPolarHBondContact OD1-CG 3.42Å; D185-K187 PolarHBondContact OD1-N 3.25Å; D185-K187 WeakPolarHBondContact OD2-CD 3.42Å; D185-K187 WeakPolarHBondContact OD2-CE 3.35Å; D185-K187 IonicContact OD2-NZ 2.83Å; D185-K187 PolarHBondContact OD2-NZ 3.03Å; D185-Y188 HydrophobicContact CB-CD2 4.11Å; D185-Y188 PolarHBondContact O-N 3.35Å; D185-Y198 WeakPolarHBondContact O-CD2 3.48Å
186	D	95.7	Very high	95.8	Very high	89 Å²	89	68 Å²	68	48%	0.476	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-57.3	-24.3	-175.8	-71.9	-50.4	0	0	0	113.4	T184 Y188 Q189 Y198 K202	T184-D186 PolarHBondContact O-N 2.91Å; D186-Y188 PolarHBondContact O-N 3.44Å; D186-Y188 VanDerWaalsContact O-N 3.08Å; D186-Q189 VanDerWaalsContact O-CB 3.24Å; D186-Q189 WeakPolarHBondContact O-CB 3.42Å; D186-Q189 PolarHBondContact O-N 3.19Å; D186-Y198 PolarHBondContact OD1-OH 3.4Å; D186-K202 IonicContact OD1-NZ 2.85Å; D186-K202 PolarHBondContact OD1-NZ 3.5Å; D186-K202 IonicContact OD2-NZ 3.76Å; D186-K202 PolarHBondContact OD2-NZ 3.17Å
187	K	95.2	Very high	95.8	Very high	131 Å²	131	60.4 Å²	60.4	57%	0.57	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-62.4	-19.3	176.5	83	-167.5	178.2	-145.6	0	113.2	D185	D185-K187 PolarHBondContact O-N 2.64Å; D185-K187 WeakPolarHBondContact OD1-CG 3.42Å; D185-K187 PolarHBondContact OD1-N 3.25Å; D185-K187 WeakPolarHBondContact OD2-CD 3.42Å; D185-K187 WeakPolarHBondContact OD2-CE 3.35Å; D185-K187 IonicContact OD2-NZ 2.83Å; D185-K187 PolarHBondContact OD2-NZ 3.03Å
188	Y	95.4	Very high	95.8	Very high	73 Å²	73	58.5 Å²	58.5	29%	0.286	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-101.1	2.7	178	-62.5	-65.1	0	0	0	114	T183 D185 D186 E190 A191 S192 L196 Y198	T183-Y188 HydrophobicContact CG2-CD2 3.72Å; T183-Y188 HydrophobicContact CG2-CG 4.24Å; D185-Y188 HydrophobicContact CB-CD2 4.11Å; D185-Y188 PolarHBondContact O-N 3.35Å; D186-Y188 PolarHBondContact O-N 3.44Å; D186-Y188 VanDerWaalsContact O-N 3.08Å; Y188-E190 PolarHBondContact O-N 2.97Å; Y188-E190 VanDerWaalsContact O-N 3.15Å; Y188-A191 HydrophobicContact CD1-CB 4.31Å; Y188-A191 PolarHBondContact O-N 2.79Å; Y188-S192 PolarHBondContact O-N 3.21Å; Y188-S192 PolarHBondContact O-OG 3.45Å; Y188-L196 HydrophobicContact CD1-CD2 3.63Å; Y188-L196 HydrophobicContact CD2-CD1 4.23Å; Y188-L196 HydrophobicContact CD2-CD2 3.78Å; Y188-L196 HydrophobicContact CE1-CD1 4.23Å; Y188-L196 HydrophobicContact CE1-CD2 4.13Å; Y188-L196 HydrophobicContact CE2-CD1 3.84Å; Y188-L196 HydrophobicContact CE2-CD2 4.2Å; Y188-L196 HydrophobicContact CG-CD2 3.45Å; Y188-L196 VanDerWaalsContact CG-CD2 3.45Å; Y188-Y198 VanDerWaalsContact O-CB 3.32Å; Y188-Y198 WeakPolarHBondContact O-CB 3.36Å
189	Q	94.5	Very high	95.9	Very high	95 Å²	95	54.8 Å²	54.8	44%	0.444	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-37.5	179.8	-175.9	177.6	-3.1	0	0	112.3	G162 V163 D186 Y198	G162-Q189 CarbonylContact C-O 3.57Å; G162-Q189 VanDerWaalsContact CA-O 3.3Å; G162-Q189 WeakPolarHBondContact CA-O 3.41Å; V163-Q189 PolarHBondContact N-O 3.04Å; D186-Q189 VanDerWaalsContact O-CB 3.24Å; D186-Q189 WeakPolarHBondContact O-CB 3.42Å; D186-Q189 PolarHBondContact O-N 3.19Å; Q189-Y198 HydrophobicContact CB-CD1 4.17Å; Q189-Y198 HydrophobicContact CB-CD2 4.4Å; Q189-Y198 HydrophobicContact CB-CE1 4.11Å; Q189-Y198 HydrophobicContact CB-CE2 4.35Å; Q189-Y198 HydrophobicContact CB-CG 4.31Å; Q189-Y198 HydrophobicContact CG-CD1 4.13Å; Q189-Y198 HydrophobicContact CG-CE1 3.83Å
190	E	93.9	Very high	95.7	Very high	119 Å²	119	49.7 Å²	49.7	56%	0.556	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.5	18	175.2	-56.3	-166.2	156.7	0	0	113.8	V163 Y188	V163-E190 CarbonylContact O-C 3.55Å; V163-E190 WeakPolarHBondContact O-CA 3.36Å; Y188-E190 PolarHBondContact O-N 2.97Å; Y188-E190 VanDerWaalsContact O-N 3.15Å
191	A	94.8	Very high	95.5	Very high	34 Å²	34	49.8 Å²	49.8	28%	0.281	25%	0.25	S	C	.	.			trans	-134.4	33.8	-176.3	0	0	0	0	0	112.6	V163 Y188	V163-A191 PolarHBondContact O-N 3.35Å; Y188-A191 HydrophobicContact CD1-CB 4.31Å; Y188-A191 PolarHBondContact O-N 2.79Å
192	S	93.9	Very high	95.3	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.021	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-65.4	152.9	173.5	-63.7	0	0	0	0	111.4	V163 F164 A165 Y188 L196 Y198	V163-S192 WeakPolarHBondContact O-CB 3.29Å; V163-S192 PolarHBondContact O-N 3.36Å; F164-S192 CarbonylContact C-O 3.57Å; F164-S192 VanDerWaalsContact CA-O 3.28Å; F164-S192 WeakPolarHBondContact CA-O 2.93Å; F164-S192 WeakPolarHBondContact CD1-O 3.39Å; A165-S192 PolarHBondContact N-O 3.26Å; Y188-S192 PolarHBondContact O-N 3.21Å; Y188-S192 PolarHBondContact O-OG 3.45Å; S192-L196 CarbonylContact C-O 3.47Å; S192-L196 WeakPolarHBondContact CA-O 3.25Å; S192-Y198 PolarHBondContact OG-N 3.01Å
193	T	93	Very high	95.2	Very high	51 Å²	51	52.7 Å²	52.7	31%	0.313	27%	0.267	S	S	.	.			trans	-137.5	176.7	179.7	74.1	0	0	0	0	110.3	F164 S195 L196	F164-T193 WeakPolarHBondContact CE1-O 3.22Å; T193-S195 PolarHBondContact O-N 2.82Å; T193-S195 PolarHBondContact OG1-N 3.47Å; T193-S195 PolarHBondContact OG1-OG 3.14Å; T193-L196 PolarHBondContact N-O 2.82Å; T193-L196 CarbonylContact O-C 3.55Å; T193-L196 PolarHBondContact O-N 3.23Å; T193-L196 VanDerWaalsContact O-O 3.08Å; T193-L196 PolarHBondContact OG1-N 3.02Å; T193-L196 VanDerWaalsContact OG1-N 3.14Å
194	E	89.4	Confident	95.1	Very high	117 Å²	117	52.5 Å²	52.5	55%	0.547	27%	0.266	S	S	.	.	S	Bend	trans	-65.1	-17.1	175.8	64.7	-166.6	-163.3	0	0	114.4	K172 L180	K172-E194 HydrophobicContact CB-CB 4.32Å; K172-E194 HydrophobicContact CG-CB 4.43Å; L180-E194 WeakPolarHBondContact CD1-O 3.31Å
195	S	94.1	Very high	95	Very high	72 Å²	72	53.2 Å²	53.2	50%	0.503	27%	0.271	S	S	.	.	S	Bend	trans	-113.2	-9.5	-179.8	59.5	0	0	0	0	113.8	R181 T193	R181-S195 PolarHBondContact N-O 3.46Å; T193-S195 PolarHBondContact O-N 2.82Å; T193-S195 PolarHBondContact OG1-N 3.47Å; T193-S195 PolarHBondContact OG1-OG 3.14Å
196	L	96.6	Very high	94.9	Very high	27 Å²	27	54.9 Å²	54.9	14%	0.141	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	118.1	179.3	-176.7	153.9	0	0	0	110.6	R181 T183 Y188 S192 T193	R181-L196 CarbonylContact O-C 3.58Å; R181-L196 VanDerWaalsContact O-CA 3.28Å; R181-L196 WeakPolarHBondContact O-CA 2.99Å; T183-L196 HydrophobicContact CG2-CD1 4.44Å; T183-L196 HydrophobicContact CG2-CD2 3.6Å; T183-L196 HydrophobicContact CG2-CG 4Å; Y188-L196 HydrophobicContact CD1-CD2 3.63Å; Y188-L196 HydrophobicContact CD2-CD1 4.23Å; Y188-L196 HydrophobicContact CD2-CD2 3.78Å; Y188-L196 HydrophobicContact CE1-CD1 4.23Å; Y188-L196 HydrophobicContact CE1-CD2 4.13Å; Y188-L196 HydrophobicContact CE2-CD1 3.84Å; Y188-L196 HydrophobicContact CE2-CD2 4.2Å; Y188-L196 HydrophobicContact CG-CD2 3.45Å; Y188-L196 VanDerWaalsContact CG-CD2 3.45Å; S192-L196 CarbonylContact C-O 3.47Å; S192-L196 WeakPolarHBondContact CA-O 3.25Å; T193-L196 PolarHBondContact N-O 2.82Å; T193-L196 CarbonylContact O-C 3.55Å; T193-L196 PolarHBondContact O-N 3.23Å; T193-L196 VanDerWaalsContact O-O 3.08Å; T193-L196 PolarHBondContact OG1-N 3.02Å; T193-L196 VanDerWaalsContact OG1-N 3.14Å
197	V	97.3	Very high	94.8	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129	-179.5	170.7	0	0	0	0	109.8	T161 F164 L180 R181 L182 T183 L243	T161-V197 HydrophobicContact CG2-CG1 3.87Å; F164-V197 HydrophobicContact CE1-CG2 4.32Å; L180-V197 HydrophobicContact CD1-CB 4.48Å; L180-V197 HydrophobicContact CD1-CG2 3.89Å; R181-V197 PolarHBondContact O-N 3.09Å; L182-V197 CarbonylContact C-O 3.55Å; L182-V197 VanDerWaalsContact CA-O 3.31Å; L182-V197 WeakPolarHBondContact CA-O 3.27Å; L182-V197 HydrophobicContact CD2-CB 4.03Å; L182-V197 HydrophobicContact CD2-CG1 4.29Å; T183-V197 PolarHBondContact N-O 2.91Å; V197-L243 HydrophobicContact CG1-CD2 4.26Å; V197-L243 HydrophobicContact CG2-CD2 3.84Å
198	Y	98.1	Very high	94.9	Very high	12 Å²	12	46.6 Å²	46.6	5%	0.047	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	143.6	172.3	172.2	-94.6	0	0	0	111.3	T161 G162 T183 D185 D186 Y188 Q189 S192 D200	T161-Y198 CarbonylContact C-O 3.53Å; T161-Y198 VanDerWaalsContact CA-O 3.23Å; T161-Y198 WeakPolarHBondContact CA-O 3.46Å; G162-Y198 PolarHBondContact N-O 3.44Å; T183-Y198 CarbonylContact O-C 3.51Å; T183-Y198 VanDerWaalsContact O-CA 3.29Å; T183-Y198 WeakPolarHBondContact O-CA 3.41Å; D185-Y198 WeakPolarHBondContact O-CD2 3.48Å; D186-Y198 PolarHBondContact OD1-OH 3.4Å; Y188-Y198 VanDerWaalsContact O-CB 3.32Å; Y188-Y198 WeakPolarHBondContact O-CB 3.36Å; Q189-Y198 HydrophobicContact CB-CD1 4.17Å; Q189-Y198 HydrophobicContact CB-CD2 4.4Å; Q189-Y198 HydrophobicContact CB-CE1 4.11Å; Q189-Y198 HydrophobicContact CB-CE2 4.35Å; Q189-Y198 HydrophobicContact CB-CG 4.31Å; Q189-Y198 HydrophobicContact CG-CD1 4.13Å; Q189-Y198 HydrophobicContact CG-CE1 3.83Å; S192-Y198 PolarHBondContact OG-N 3.01Å; Y198-D200 HydrophobicContact CE1-CB 3.93Å
199	V	97	Very high	94.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-129.9	140.2	168.4	-64	0	0	0	0	110.2	R160 L182 T183 T184 Y201 I204 V249	R160-V199 WeakPolarHBondContact O-CA 3.27Å; L182-V199 HydrophobicContact CD2-CG1 4.34Å; T183-V199 PolarHBondContact O-N 3.13Å; T184-V199 HydrophobicContact CG2-CG2 4.01Å; V199-Y201 VanDerWaalsContact C-N 3.31Å; V199-Y201 PolarHBondContact O-N 3.42Å; V199-I204 HydrophobicContact CG2-CD1 3.89Å; V199-I204 HydrophobicContact CG2-CG2 4.33Å; V199-V249 HydrophobicContact CG1-CG2 4.24Å
200	D	94.1	Very high	95	Very high	68 Å²	68	46.8 Å²	46.8	36%	0.364	27%	0.266	S	S	.	.	S	Bend	trans	-81.7	-1.4	-172.5	62.7	3.3	0	0	0	115.5	I159 R160 Y198 K202	I159-D200 WeakPolarHBondContact CA-OD1 3.45Å; I159-D200 WeakPolarHBondContact CG2-OD1 3.42Å; R160-D200 PolarHBondContact N-OD1 2.99Å; R160-D200 PolarHBondContact N-OD2 3.38Å; R160-D200 PolarHBondContact O-N 3.43Å; R160-D200 VanDerWaalsContact O-N 3.08Å; Y198-D200 HydrophobicContact CE1-CB 3.93Å; D200-K202 PolarHBondContact O-N 3.1Å
201	Y	94.7	Very high	95.2	Very high	5 Å²	5	43 Å²	43	2%	0.02	26%	0.259	C	S	.	.			trans	-92.1	94.9	177.8	179.7	-135.8	0	0	0	112.1	I159 T184 V199 N203 I204 V207 L251 V256 D257 L258	I159-Y201 HydrophobicContact CD1-CD1 3.62Å; I159-Y201 HydrophobicContact CD1-CE1 4.31Å; I159-Y201 HydrophobicContact CD1-CG 3.88Å; I159-Y201 HydrophobicContact CG1-CD1 4.46Å; I159-Y201 HydrophobicContact CG1-CG 4.24Å; T184-Y201 WeakPolarHBondContact CG2-O 3.23Å; V199-Y201 VanDerWaalsContact C-N 3.31Å; V199-Y201 PolarHBondContact O-N 3.42Å; Y201-N203 HydrophobicContact CD2-CB 4.4Å; Y201-N203 HydrophobicContact CE2-CB 3.72Å; Y201-N203 PolarHBondContact O-N 2.94Å; Y201-N203 VanDerWaalsContact O-N 3.13Å; Y201-I204 HydrophobicContact CD1-CB 3.63Å; Y201-I204 HydrophobicContact CD1-CG1 3.98Å; Y201-I204 HydrophobicContact CE1-CB 4.21Å; Y201-I204 HydrophobicContact CG-CB 4.37Å; Y201-I204 VanDerWaalsContact O-CB 3.28Å; Y201-I204 WeakPolarHBondContact O-CB 3.43Å; Y201-I204 WeakPolarHBondContact O-CG2 3.17Å; Y201-I204 PolarHBondContact O-N 3.36Å; Y201-I204 VanDerWaalsContact O-N 3.1Å; Y201-V207 HydrophobicContact CE1-CG2 3.68Å; Y201-V207 WeakPolarHBondContact OH-CG1 3.19Å; Y201-L251 HydrophobicContact CD1-CD1 3.96Å; Y201-L251 HydrophobicContact CE1-CD1 4.03Å; Y201-V256 HydrophobicContact CE1-CG1 4.3Å; Y201-V256 HydrophobicContact CE2-CG1 4.25Å; Y201-D257 WeakPolarHBondContact CE2-OD1 3.15Å; Y201-D257 PolarHBondContact OH-N 3.32Å; Y201-D257 PolarHBondContact OH-OD1 3.25Å; Y201-L258 HydrophobicContact CD2-CD1 4.33Å; Y201-L258 HydrophobicContact CD2-CD2 3.73Å; Y201-L258 HydrophobicContact CD2-CG 3.88Å; Y201-L258 HydrophobicContact CE2-CD2 4.01Å; Y201-L258 HydrophobicContact CE2-CG 3.91Å
202	K	94.1	Very high	95.3	Very high	96 Å²	96	42.7 Å²	42.7	42%	0.417	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-30.9	-176.4	-58.4	-61.4	173.5	174.7	0	114.5	T184 D186 D200 I204	T184-K202 PolarHBondContact O-NZ 3.36Å; D186-K202 IonicContact OD1-NZ 2.85Å; D186-K202 PolarHBondContact OD1-NZ 3.5Å; D186-K202 IonicContact OD2-NZ 3.76Å; D186-K202 PolarHBondContact OD2-NZ 3.17Å; D200-K202 PolarHBondContact O-N 3.1Å; K202-I204 VanDerWaalsContact C-N 3.31Å; K202-I204 PolarHBondContact O-N 2.74Å
203	N	94.5	Very high	95.4	Very high	54 Å²	54	48.9 Å²	48.9	29%	0.289	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	13.1	-176.9	-157.5	27.7	0	0	0	113.5	Y201 T205 S206 D257	Y201-N203 HydrophobicContact CD2-CB 4.4Å; Y201-N203 HydrophobicContact CE2-CB 3.72Å; Y201-N203 PolarHBondContact O-N 2.94Å; Y201-N203 VanDerWaalsContact O-N 3.13Å; N203-T205 VanDerWaalsContact C-N 3.27Å; N203-T205 PolarHBondContact O-N 3.44Å; N203-S206 PolarHBondContact ND2-OG 3.44Å; N203-S206 VanDerWaalsContact ND2-OG 3.16Å; N203-S206 PolarHBondContact O-N 3.16Å; N203-S206 PolarHBondContact O-OG 2.82Å; N203-S206 VanDerWaalsContact OD1-CB 3.31Å; N203-S206 WeakPolarHBondContact OD1-CB 3.43Å; N203-S206 PolarHBondContact OD1-OG 3.22Å; N203-D257 VanDerWaalsContact ND2-CG 3.28Å; N203-D257 PolarHBondContact ND2-OD1 3.36Å; N203-D257 PolarHBondContact ND2-OD2 3.11Å
204	I	95.7	Very high	95.6	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-59.7	-34	-174.6	-160.8	174.9	0	0	0	113.7	T184 V199 Y201 K202 S206 L208 L233 L251	T184-I204 HydrophobicContact CG2-CG2 3.5Å; V199-I204 HydrophobicContact CG2-CD1 3.89Å; V199-I204 HydrophobicContact CG2-CG2 4.33Å; Y201-I204 HydrophobicContact CD1-CB 3.63Å; Y201-I204 HydrophobicContact CD1-CG1 3.98Å; Y201-I204 HydrophobicContact CE1-CB 4.21Å; Y201-I204 HydrophobicContact CG-CB 4.37Å; Y201-I204 VanDerWaalsContact O-CB 3.28Å; Y201-I204 WeakPolarHBondContact O-CB 3.43Å; Y201-I204 WeakPolarHBondContact O-CG2 3.17Å; Y201-I204 PolarHBondContact O-N 3.36Å; Y201-I204 VanDerWaalsContact O-N 3.1Å; K202-I204 VanDerWaalsContact C-N 3.31Å; K202-I204 PolarHBondContact O-N 2.74Å; I204-S206 VanDerWaalsContact C-N 3.3Å; I204-S206 PolarHBondContact O-N 2.57Å; I204-L208 HydrophobicContact CD1-CD1 4.23Å; I204-L208 HydrophobicContact CG1-CD1 3.79Å; I204-L208 HydrophobicContact CG1-CG 4.37Å; I204-L208 PolarHBondContact O-N 3.23Å; I204-L233 HydrophobicContact CD1-CD1 3.87Å; I204-L233 HydrophobicContact CG1-CD1 3.91Å; I204-L233 HydrophobicContact CG2-CD1 4.24Å; I204-L251 HydrophobicContact CD1-CD1 4.35Å; I204-L251 HydrophobicContact CD1-CD2 4.3Å; I204-L251 HydrophobicContact CG1-CD1 4Å
205	T	96.3	Very high	96	Very high	27 Å²	27	43 Å²	43	17%	0.166	25%	0.246	C	C	.	.	H	α-helix	trans	-73.6	-18.9	-178	54.2	0	0	0	0	113.4	N203 V228 S230 L233	N203-T205 VanDerWaalsContact C-N 3.27Å; N203-T205 PolarHBondContact O-N 3.44Å; T205-V228 HydrophobicContact CG2-CG1 4.39Å; T205-S230 PolarHBondContact OG1-O 3.07Å; T205-S230 VanDerWaalsContact OG1-O 3.13Å; T205-L233 HydrophobicContact CG2-CD2 4.14Å; T205-L233 HydrophobicContact CG2-CG 4.35Å
206	S	94.9	Very high	96.1	Very high	76 Å²	76	39.5 Å²	39.5	53%	0.531	22%	0.222	S	C	.	.	H	α-helix	trans	-89.5	-23	178.6	77.6	0	0	0	0	113.4	N203 I204	N203-S206 PolarHBondContact ND2-OG 3.44Å; N203-S206 VanDerWaalsContact ND2-OG 3.16Å; N203-S206 PolarHBondContact O-N 3.16Å; N203-S206 PolarHBondContact O-OG 2.82Å; N203-S206 VanDerWaalsContact OD1-CB 3.31Å; N203-S206 WeakPolarHBondContact OD1-CB 3.43Å; N203-S206 PolarHBondContact OD1-OG 3.22Å; I204-S206 VanDerWaalsContact C-N 3.3Å; I204-S206 PolarHBondContact O-N 2.57Å
207	V	94.2	Very high	95.9	Very high	35 Å²	35	39.3 Å²	39.3	21%	0.212	22%	0.221	C	C	.	.	H	α-helix	trans	-99.9	-12	-175.7	-52.2	0	0	0	0	113.6	Y201 L251 A254 I255	Y201-V207 HydrophobicContact CE1-CG2 3.68Å; Y201-V207 WeakPolarHBondContact OH-CG1 3.19Å; V207-L251 HydrophobicContact CG2-CD1 4.34Å; V207-A254 HydrophobicContact CB-CB 4.38Å; V207-A254 HydrophobicContact CG2-CB 4.13Å; V207-I255 VanDerWaalsContact CG1-O 3.31Å; V207-I255 WeakPolarHBondContact CG1-O 3.27Å
208	L	95.7	Very high	95.4	Very high	12 Å²	12	45 Å²	45	6%	0.063	25%	0.252	C	S	.	.			trans	-110.5	153.2	177.5	-60.3	-175.8	0	0	0	111.6	I204 V214 V225 L233 L251 A254	I204-L208 HydrophobicContact CD1-CD1 4.23Å; I204-L208 HydrophobicContact CG1-CD1 3.79Å; I204-L208 HydrophobicContact CG1-CG 4.37Å; I204-L208 PolarHBondContact O-N 3.23Å; L208-V214 HydrophobicContact CD1-CG2 3.67Å; L208-V225 HydrophobicContact CD1-CG2 4.41Å; L208-L233 HydrophobicContact CD1-CD1 3.66Å; L208-L251 HydrophobicContact CD1-CD1 4.47Å; L208-L251 HydrophobicContact CD1-CD2 3.86Å; L208-L251 HydrophobicContact CD2-CB 4.34Å; L208-L251 HydrophobicContact CD2-CD2 4.4Å; L208-A254 HydrophobicContact CD2-CB 3.72Å
209	S	95.7	Very high	95.1	Very high	74 Å²	74	45.4 Å²	45.4	52%	0.517	26%	0.26	S	S	.	.			trans	-130	166.8	178.2	62.2	0	0	0	0	110.6	G211 S212	S209-G211 PolarHBondContact O-N 3.15Å; S209-S212 PolarHBondContact N-OG 3.33Å; S209-S212 VanDerWaalsContact N-OG 3.09Å; S209-S212 WeakPolarHBondContact O-CB 3.16Å; S209-S212 PolarHBondContact O-N 2.99Å; S209-S212 PolarHBondContact O-OG 3.05Å; S209-S212 VanDerWaalsContact O-OG 3.1Å; S209-S212 PolarHBondContact OG-OG 2.85Å
210	V	97.6	Very high	94.9	Very high	97 Å²	97	50.9 Å²	50.9	59%	0.588	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	126.3	173.7	176.5	0	0	0	0	109.3	V228	V210-V228 HydrophobicContact CG2-CG2 4.42Å
211	G	97	Very high	95	Very high	39 Å²	39	47.7 Å²	47.7	40%	0.402	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	98	-13.2	-174.9	0	0	0	0	0	115	S209 V225	S209-G211 PolarHBondContact O-N 3.15Å; G211-V225 PolarHBondContact N-O 3.24Å
212	S	96.9	Very high	95.1	Very high	29 Å²	29	48.1 Å²	48.1	20%	0.203	28%	0.275	C	S	.	.			trans	-58.9	149.4	170.7	-68.4	0	0	0	0	111.3	S209 V225	S209-S212 PolarHBondContact N-OG 3.33Å; S209-S212 VanDerWaalsContact N-OG 3.09Å; S209-S212 WeakPolarHBondContact O-CB 3.16Å; S209-S212 PolarHBondContact O-N 2.99Å; S209-S212 PolarHBondContact O-OG 3.05Å; S209-S212 VanDerWaalsContact O-OG 3.1Å; S209-S212 PolarHBondContact OG-OG 2.85Å; S212-V225 PolarHBondContact O-N 2.99Å
213	R	96.8	Very high	95.3	Very high	133 Å²	133	43.5 Å²	43.5	50%	0.502	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	141.5	172.9	-72.9	-178.7	173.3	138.6	3	110.5	F215 L223 E238	R213-F215 HydrophobicContact CB-CD2 4.48Å; R213-F215 HydrophobicContact CB-CE2 3.95Å; R213-L223 CarbonylContact C-O 3.57Å; R213-L223 VanDerWaalsContact CA-O 3.26Å; R213-L223 WeakPolarHBondContact CA-O 3.46Å; R213-E238 IonicContact CZ-OE2 3.42Å; R213-E238 IonicContact NE-OE2 3.54Å; R213-E238 PolarHBondContact NE-OE2 3.19Å; R213-E238 IonicContact NH2-OE2 3.82Å
214	V	97.6	Very high	95.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.2	170.9	179.6	0	0	0	0	107.4	L182 L208 I216 L223 V225 V249 L251	L182-V214 HydrophobicContact CD1-CB 4.31Å; L182-V214 HydrophobicContact CD1-CG1 3.88Å; L182-V214 HydrophobicContact CD1-CG2 4.26Å; L208-V214 HydrophobicContact CD1-CG2 3.67Å; V214-I216 HydrophobicContact CG1-CG1 4.31Å; V214-L223 HydrophobicContact CB-CB 4.24Å; V214-L223 PolarHBondContact N-O 3.02Å; V214-L223 PolarHBondContact O-N 2.99Å; V214-V225 HydrophobicContact CG2-CG2 4.16Å; V214-V249 HydrophobicContact CG1-CG1 3.56Å; V214-L251 HydrophobicContact CB-CD2 4.31Å; V214-L251 HydrophobicContact CG1-CD2 3.89Å; V214-L251 HydrophobicContact CG2-CD2 3.87Å
215	F	97.3	Very high	95.6	Very high	43 Å²	43	45.1 Å²	45.1	19%	0.189	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	141.3	177.1	-75.4	-84.9	0	0	0	109.7	R213 I221 V249 N250 P252 I339	R213-F215 HydrophobicContact CB-CD2 4.48Å; R213-F215 HydrophobicContact CB-CE2 3.95Å; F215-I221 WeakPolarHBondContact CA-O 3.32Å; F215-V249 CarbonylContact O-C 3.57Å; F215-V249 VanDerWaalsContact O-CA 3.31Å; F215-V249 WeakPolarHBondContact O-CA 3.3Å; F215-N250 HydrophobicContact CB-CB 4.09Å; F215-N250 PolarHBondContact N-O 3.06Å; F215-N250 PolarHBondContact O-N 3.33Å; F215-P252 HydrophobicContact CD2-CG 3.55Å; F215-P252 HydrophobicContact CE2-CG 3.75Å; F215-I339 HydrophobicContact CB-CG2 3.67Å; F215-I339 HydrophobicContact CD1-CG2 4.49Å; F215-I339 HydrophobicContact CD2-CG2 4.33Å; F215-I339 HydrophobicContact CG-CG2 3.93Å
216	I	96.5	Very high	95.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	145	-179.8	-51.1	-178.5	0	0	0	109	T161 L182 V214 L220 I221 L223 L243 K247 G248 V249	T161-I216 HydrophobicContact CG2-CD1 4.44Å; T161-I216 HydrophobicContact CG2-CG2 3.86Å; L182-I216 HydrophobicContact CD2-CD1 4.33Å; V214-I216 HydrophobicContact CG1-CG1 4.31Å; I216-L220 PolarHBondContact O-N 3.43Å; I216-I221 HydrophobicContact CB-CB 4.2Å; I216-I221 HydrophobicContact CB-CG2 4.4Å; I216-I221 PolarHBondContact N-O 2.89Å; I216-I221 PolarHBondContact O-N 2.93Å; I216-I221 VanDerWaalsContact O-N 3.07Å; I216-L223 HydrophobicContact CD1-CD1 3.62Å; I216-L223 HydrophobicContact CD1-CG 4.43Å; I216-L223 HydrophobicContact CG1-CD1 4.39Å; I216-L243 HydrophobicContact CG2-CD1 3.49Å; I216-L243 VanDerWaalsContact CG2-CD1 3.49Å; I216-K247 HydrophobicContact CG2-CB 4.02Å; I216-G248 WeakPolarHBondContact CA-O 3.5Å; I216-V249 HydrophobicContact CG1-CG2 4.31Å
217	D	92.3	Very high	95.9	Very high	23 Å²	23	45.1 Å²	45.1	12%	0.123	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	72.5	175	-159.7	24.7	0	0	0	112.4	G219 L220 K247 G248	D217-G219 PolarHBondContact O-N 2.95Å; D217-G219 VanDerWaalsContact O-N 3.14Å; D217-L220 VanDerWaalsContact O-CB 3.31Å; D217-L220 WeakPolarHBondContact O-CB 3.41Å; D217-L220 VanDerWaalsContact O-CG 3.25Å; D217-L220 WeakPolarHBondContact O-CG 3.32Å; D217-L220 PolarHBondContact O-N 2.93Å; D217-L220 VanDerWaalsContact O-N 3.07Å; D217-K247 HydrophobicContact CB-CB 4.05Å; D217-K247 HydrophobicContact CB-CD 4.47Å; D217-K247 HydrophobicContact CB-CG 4.09Å; D217-K247 VanDerWaalsContact OD1-CD 3.28Å; D217-K247 WeakPolarHBondContact OD1-CD 3.25Å; D217-K247 IonicContact OD1-NZ 3.68Å; D217-K247 PolarHBondContact OD1-NZ 3.45Å; D217-K247 IonicContact OD2-NZ 3.96Å; D217-K247 PolarHBondContact OD2-NZ 3.43Å; D217-G248 PolarHBondContact N-O 3.03Å
218	D	87.6	Confident	96.1	Very high	120 Å²	120	46.2 Å²	46.2	64%	0.642	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	30.7	-179.9	-56.6	-19.3	0	0	0	113.5	L220	D218-L220 VanDerWaalsContact C-N 3.26Å; D218-L220 PolarHBondContact O-N 3.37Å
219	G	91.1	Very high	96.1	Very high	21 Å²	21	46.5 Å²	46.5	22%	0.216	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	5.7	179.4	0	0	0	0	0	115.3	D217	D217-G219 PolarHBondContact O-N 2.95Å; D217-G219 VanDerWaalsContact O-N 3.14Å
220	L	92.6	Very high	96.1	Very high	114 Å²	114	47.7 Å²	47.7	60%	0.597	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-36.8	-178.4	-62.4	176.6	0	0	0	112.2	I216 D217 D218	I216-L220 PolarHBondContact O-N 3.43Å; D217-L220 VanDerWaalsContact O-CB 3.31Å; D217-L220 WeakPolarHBondContact O-CB 3.41Å; D217-L220 VanDerWaalsContact O-CG 3.25Å; D217-L220 WeakPolarHBondContact O-CG 3.32Å; D217-L220 PolarHBondContact O-N 2.93Å; D217-L220 VanDerWaalsContact O-N 3.07Å; D218-L220 VanDerWaalsContact C-N 3.26Å; D218-L220 PolarHBondContact O-N 3.37Å
221	I	96.5	Very high	96	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	132.9	175.7	-62.7	171.6	0	0	0	108.3	L174 F215 I216 L223 L243	L174-I221 HydrophobicContact CD1-CD1 4.22Å; L174-I221 HydrophobicContact CD1-CG2 4.03Å; F215-I221 WeakPolarHBondContact CA-O 3.32Å; I216-I221 HydrophobicContact CB-CB 4.2Å; I216-I221 HydrophobicContact CB-CG2 4.4Å; I216-I221 PolarHBondContact N-O 2.89Å; I216-I221 PolarHBondContact O-N 2.93Å; I216-I221 VanDerWaalsContact O-N 3.07Å; I221-L223 HydrophobicContact CG2-CD2 4.19Å; I221-L243 HydrophobicContact CD1-CB 3.82Å; I221-L243 HydrophobicContact CD1-CD1 4.26Å
222	S	97.5	Very high	96	Very high	13 Å²	13	46.8 Å²	46.8	9%	0.091	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	134.3	175.5	72.2	0	0	0	0	112	E238 N239	S222-E238 PolarHBondContact O-N 3.5Å; S222-E238 WeakPolarHBondContact OG-CB 3.45Å; S222-N239 PolarHBondContact N-O 3.44Å; S222-N239 PolarHBondContact O-N 3.41Å; S222-N239 VanDerWaalsContact O-N 3.14Å; S222-N239 VanDerWaalsContact OG-CB 3.24Å; S222-N239 WeakPolarHBondContact OG-CB 3.14Å; S222-N239 PolarHBondContact OG-N 3.38Å
223	L	98.1	Very high	96.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	145.9	-178.9	-51.5	177.4	0	0	0	109.1	L180 L182 R213 V214 I216 I221 C235 V236 V237	L180-L223 HydrophobicContact CD2-CD1 3.72Å; L180-L223 HydrophobicContact CD2-CD2 3.84Å; L180-L223 HydrophobicContact CD2-CG 4.45Å; L182-L223 HydrophobicContact CD1-CD1 3.92Å; L182-L223 HydrophobicContact CD2-CD1 3.96Å; L182-L223 HydrophobicContact CG-CD1 4.14Å; R213-L223 CarbonylContact C-O 3.57Å; R213-L223 VanDerWaalsContact CA-O 3.26Å; R213-L223 WeakPolarHBondContact CA-O 3.46Å; V214-L223 HydrophobicContact CB-CB 4.24Å; V214-L223 PolarHBondContact N-O 3.02Å; V214-L223 PolarHBondContact O-N 2.99Å; I216-L223 HydrophobicContact CD1-CD1 3.62Å; I216-L223 HydrophobicContact CD1-CG 4.43Å; I216-L223 HydrophobicContact CG1-CD1 4.39Å; I221-L223 HydrophobicContact CG2-CD2 4.19Å; L223-C235 HydrophobicContact CB-CB 3.97Å; L223-C235 HydrophobicContact CD1-CB 4.48Å; L223-V236 WeakPolarHBondContact CA-O 3.37Å; L223-V237 HydrophobicContact CD2-CB 4.22Å; L223-V237 HydrophobicContact CD2-CG1 4.41Å; L223-V237 HydrophobicContact CD2-CG2 3.76Å
224	K	98.2	Very high	96.2	Very high	88 Å²	88	41 Å²	41	38%	0.383	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.3	171	-177.7	174.6	-175.3	175	0	110.4	V226 C235 V236 E238	K224-V226 PolarHBondContact O-N 3.35Å; K224-C235 CarbonylContact O-C 3.57Å; K224-C235 WeakPolarHBondContact O-CA 3.1Å; K224-V236 PolarHBondContact N-O 2.86Å; K224-V236 PolarHBondContact O-N 2.8Å; K224-E238 HydrophobicContact CB-CG 3.77Å; K224-E238 WeakPolarHBondContact CD-OE1 3.27Å
225	V	98.4	Very high	96.2	Very high	1 Å²	1	41 Å²	41	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	124	177.8	-179.4	0	0	0	0	109.5	L208 G211 S212 V214 V228 L233	L208-V225 HydrophobicContact CD1-CG2 4.41Å; G211-V225 PolarHBondContact N-O 3.24Å; S212-V225 PolarHBondContact O-N 2.99Å; V214-V225 HydrophobicContact CG2-CG2 4.16Å; V225-V228 HydrophobicContact CG1-CG2 3.84Å; V225-L233 HydrophobicContact CG1-CD2 4.14Å; V225-L233 HydrophobicContact CG2-CD1 4.43Å
226	V	98.1	Very high	96.3	Very high	69 Å²	69	41.1 Å²	41.1	42%	0.418	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-24.4	177.6	-64.9	0	0	0	0	113.1	K224 D234 V236	K224-V226 PolarHBondContact O-N 3.35Å; V226-D234 HydrophobicContact CG2-CB 4.07Å; V226-D234 WeakPolarHBondContact CG2-O 3.37Å; V226-D234 PolarHBondContact N-O 2.77Å; V226-V236 HydrophobicContact CG1-CB 4.37Å; V226-V236 HydrophobicContact CG1-CG2 3.72Å; V226-V236 HydrophobicContact CG2-CG2 4.29Å
227	S	98	Very high	96.3	Very high	34 Å²	34	41.2 Å²	41.2	24%	0.238	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	149.3	173	101.2	0	0	0	0	109.8	D234	S227-D234 PolarHBondContact N-O 3.07Å; S227-D234 VanDerWaalsContact N-O 3.16Å; S227-D234 PolarHBondContact O-N 3.27Å; S227-D234 VanDerWaalsContact OG-CB 3.29Å; S227-D234 WeakPolarHBondContact OG-CB 3.29Å; S227-D234 PolarHBondContact OG-OD2 3.22Å
228	V	97.9	Very high	96.6	Very high	59 Å²	59	42.7 Å²	42.7	36%	0.358	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	118.4	176.1	-177.9	0	0	0	0	107.9	T205 V210 V225 L233	T205-V228 HydrophobicContact CG2-CG1 4.39Å; V210-V228 HydrophobicContact CG2-CG2 4.42Å; V225-V228 HydrophobicContact CG1-CG2 3.84Å; V228-L233 HydrophobicContact CB-CD2 4.18Å; V228-L233 HydrophobicContact CG1-CD2 3.89Å; V228-L233 HydrophobicContact CG2-CD2 3.83Å
229	G	96.9	Very high	97	Very high	17 Å²	17	41.3 Å²	41.3	18%	0.175	24%	0.236	C	C	.	.			trans	-94.9	-169.7	172.1	0	0	0	0	0	112.1	Y232	G229-Y232 WeakPolarHBondContact CA-O 3.2Å; G229-Y232 PolarHBondContact N-O 3.16Å
230	S	95	Very high	97.2	Very high	100 Å²	100	41.5 Å²	41.5	70%	0.699	24%	0.238	S	C	*	.	S	Bend	trans	-64	-46.9	175.7	39.1	0	0	0	0	112.8	T205	T205-S230 PolarHBondContact OG1-O 3.07Å; T205-S230 VanDerWaalsContact OG1-O 3.13Å
231	D	96.1	Very high	97.3	Very high	52 Å²	52	37.1 Å²	37.1	28%	0.278	22%	0.221	S	C	.	.	S	Bend	trans	-138.3	17.9	-168.7	62.4	-33.2	0	0	0	111.2	T183 T184	T183-D231 WeakPolarHBondContact CA-O 3.15Å; T183-D231 PolarHBondContact OG1-O 2.87Å; T184-D231 PolarHBondContact N-O 2.95Å; T184-D231 PolarHBondContact OG1-O 2.61Å
232	Y	97.8	Very high	97.2	Very high	64 Å²	64	43.3 Å²	43.3	25%	0.251	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	158.8	179.6	72.8	-95	0	0	0	112.6	R181 L182 G229	R181-Y232 HydrophobicContact CG-CD2 4.2Å; R181-Y232 HydrophobicContact CG-CG 4.34Å; L182-Y232 CarbonylContact O-C 3.47Å; L182-Y232 WeakPolarHBondContact O-CA 3.14Å; L182-Y232 VanDerWaalsContact O-CB 3.3Å; L182-Y232 WeakPolarHBondContact O-CB 3.09Å; G229-Y232 WeakPolarHBondContact CA-O 3.2Å; G229-Y232 PolarHBondContact N-O 3.16Å
233	L	98	Very high	97	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.6	170.5	-57.9	167.7	0	0	0	107.6	R181 L182 I204 T205 L208 V225 V228	R181-L233 CarbonylContact C-O 3.53Å; R181-L233 WeakPolarHBondContact CA-O 3.38Å; L182-L233 HydrophobicContact CB-CB 4.32Å; L182-L233 PolarHBondContact N-O 3.14Å; L182-L233 PolarHBondContact O-N 3.36Å; I204-L233 HydrophobicContact CD1-CD1 3.87Å; I204-L233 HydrophobicContact CG1-CD1 3.91Å; I204-L233 HydrophobicContact CG2-CD1 4.24Å; T205-L233 HydrophobicContact CG2-CD2 4.14Å; T205-L233 HydrophobicContact CG2-CG 4.35Å; L208-L233 HydrophobicContact CD1-CD1 3.66Å; V225-L233 HydrophobicContact CG1-CD2 4.14Å; V225-L233 HydrophobicContact CG2-CD1 4.43Å; V228-L233 HydrophobicContact CB-CD2 4.18Å; V228-L233 HydrophobicContact CG1-CD2 3.89Å; V228-L233 HydrophobicContact CG2-CD2 3.83Å
234	D	98.4	Very high	96.8	Very high	41 Å²	41	42.9 Å²	42.9	22%	0.219	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	126.9	165.7	-63.9	-41.7	0	0	0	108.2	R181 V226 S227	R181-D234 IonicContact CZ-OD1 3.78Å; R181-D234 IonicContact NE-OD1 3.27Å; R181-D234 PolarHBondContact NE-OD1 3.39Å; R181-D234 IonicContact NH2-OD1 2.75Å; R181-D234 PolarHBondContact NH2-OD1 3.47Å; R181-D234 IonicContact NH2-OD2 3.22Å; R181-D234 PolarHBondContact NH2-OD2 2.78Å; V226-D234 HydrophobicContact CG2-CB 4.07Å; V226-D234 WeakPolarHBondContact CG2-O 3.37Å; V226-D234 PolarHBondContact N-O 2.77Å; S227-D234 PolarHBondContact N-O 3.07Å; S227-D234 VanDerWaalsContact N-O 3.16Å; S227-D234 PolarHBondContact O-N 3.27Å; S227-D234 VanDerWaalsContact OG-CB 3.29Å; S227-D234 WeakPolarHBondContact OG-CB 3.29Å; S227-D234 PolarHBondContact OG-OD2 3.22Å
235	C	98.4	Very high	96.5	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.007	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	159.1	-177.9	-62.2	0	0	0	0	111.4	K179 L180 L223 K224	K179-C235 WeakPolarHBondContact CA-O 3.49Å; L180-C235 PolarHBondContact N-O 3.31Å; L180-C235 WeakPolarHBondContact O-CA 3.34Å; L180-C235 WeakPolarHBondContact O-CB 3.47Å; L180-C235 PolarHBondContact O-N 3.37Å; L223-C235 HydrophobicContact CB-CB 3.97Å; L223-C235 HydrophobicContact CD1-CB 4.48Å; K224-C235 CarbonylContact O-C 3.57Å; K224-C235 WeakPolarHBondContact O-CA 3.1Å
236	V	98.2	Very high	96.1	Very high	44 Å²	44	45.8 Å²	45.8	27%	0.267	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.8	163.8	175.3	0	0	0	0	108.3	E178 L223 K224 V226 E238	E178-V236 WeakPolarHBondContact O-CA 3.32Å; L223-V236 WeakPolarHBondContact CA-O 3.37Å; K224-V236 PolarHBondContact N-O 2.86Å; K224-V236 PolarHBondContact O-N 2.8Å; V226-V236 HydrophobicContact CG1-CB 4.37Å; V226-V236 HydrophobicContact CG1-CG2 3.72Å; V226-V236 HydrophobicContact CG2-CG2 4.29Å; V236-E238 PolarHBondContact O-N 3.23Å
237	V	98.2	Very high	95.8	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.018	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	111.7	175.8	-178.1	0	0	0	0	109.1	L174 K175 G177 E178 L180 L223 N239	L174-V237 HydrophobicContact CB-CG1 4.49Å; L174-V237 HydrophobicContact CB-CG2 4.39Å; K175-V237 WeakPolarHBondContact O-CB 3.38Å; G177-V237 PolarHBondContact N-O 3.27Å; E178-V237 PolarHBondContact O-N 3.03Å; L180-V237 HydrophobicContact CB-CG2 4.36Å; L223-V237 HydrophobicContact CD2-CB 4.22Å; L223-V237 HydrophobicContact CD2-CG1 4.41Å; L223-V237 HydrophobicContact CD2-CG2 3.76Å; V237-N239 WeakPolarHBondContact CG1-O 3.4Å
238	E	97.5	Very high	95.6	Very high	53 Å²	53	44.5 Å²	44.5	25%	0.248	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-45.1	174.2	-71.2	-162.9	136.2	0	0	110.7	K176 R213 S222 K224 V236	K176-E238 WeakPolarHBondContact CD-O 3.45Å; K176-E238 WeakPolarHBondContact CE-O 3.24Å; K176-E238 WeakPolarHBondContact CG-O 3.49Å; R213-E238 IonicContact CZ-OE2 3.42Å; R213-E238 IonicContact NE-OE2 3.54Å; R213-E238 PolarHBondContact NE-OE2 3.19Å; R213-E238 IonicContact NH2-OE2 3.82Å; S222-E238 PolarHBondContact O-N 3.5Å; S222-E238 WeakPolarHBondContact OG-CB 3.45Å; K224-E238 HydrophobicContact CB-CG 3.77Å; K224-E238 WeakPolarHBondContact CD-OE1 3.27Å; V236-E238 PolarHBondContact O-N 3.23Å
239	N	96	Very high	95.5	Very high	91 Å²	91	42 Å²	42	49%	0.487	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	121.4	174.7	-148.6	25.4	0	0	0	109.7	S222 V237	S222-N239 PolarHBondContact N-O 3.44Å; S222-N239 PolarHBondContact O-N 3.41Å; S222-N239 VanDerWaalsContact O-N 3.14Å; S222-N239 VanDerWaalsContact OG-CB 3.24Å; S222-N239 WeakPolarHBondContact OG-CB 3.14Å; S222-N239 PolarHBondContact OG-N 3.38Å; V237-N239 WeakPolarHBondContact CG1-O 3.4Å
240	G	94.7	Very high	95.4	Very high	25 Å²	25	41.5 Å²	41.5	26%	0.258	22%	0.224	S	C	.	.			trans	-87.7	178.7	-175.1	0	0	0	0	0	113.5	L174	L174-G240 CarbonylContact O-C 3.51Å; L174-G240 WeakPolarHBondContact O-CA 3.17Å
241	G	94.5	Very high	95.4	Very high	22 Å²	22	36.8 Å²	36.8	23%	0.227	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.9	178	178.2	0	0	0	0	0	112.8	L174 L243	L174-G241 PolarHBondContact N-O 2.88Å; L174-G241 PolarHBondContact O-N 3.36Å; G241-L243 PolarHBondContact O-N 2.85Å
242	K	94.3	Very high	95.3	Very high	132 Å²	132	36.2 Å²	36.2	57%	0.574	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	107.6	175.3	-73.4	167.8	161.4	-74.4	0	109.8	E171 K172	E171-K242 WeakPolarHBondContact OE2-CD 3.41Å; E171-K242 IonicContact OE2-NZ 2.79Å; E171-K242 PolarHBondContact OE2-NZ 2.9Å; K172-K242 CarbonylContact O-C 3.18Å; K172-K242 WeakPolarHBondContact O-CA 3.43Å
243	L	95	Very high	94.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	121.4	171.1	-179.1	56.8	0	0	0	109.6	F164 E171 K172 L174 V197 I216 I221 G241 K247	F164-L243 HydrophobicContact CE2-CB 4.44Å; F164-L243 HydrophobicContact CE2-CD2 4.49Å; F164-L243 HydrophobicContact CE2-CG 4Å; F164-L243 WeakPolarHBondContact CE2-O 3.31Å; F164-L243 HydrophobicContact CZ-CB 4.12Å; F164-L243 HydrophobicContact CZ-CD2 3.82Å; F164-L243 HydrophobicContact CZ-CG 3.75Å; E171-L243 CarbonylContact C-O 3.57Å; E171-L243 VanDerWaalsContact CA-O 3.26Å; E171-L243 WeakPolarHBondContact CA-O 3.3Å; K172-L243 PolarHBondContact N-O 3.34Å; K172-L243 PolarHBondContact O-N 3.42Å; L174-L243 HydrophobicContact CD1-CB 4.01Å; L174-L243 HydrophobicContact CD1-CD2 3.94Å; L174-L243 HydrophobicContact CG-CB 4.16Å; V197-L243 HydrophobicContact CG1-CD2 4.26Å; V197-L243 HydrophobicContact CG2-CD2 3.84Å; I216-L243 HydrophobicContact CG2-CD1 3.49Å; I216-L243 VanDerWaalsContact CG2-CD1 3.49Å; I221-L243 HydrophobicContact CD1-CB 3.82Å; I221-L243 HydrophobicContact CD1-CD1 4.26Å; G241-L243 PolarHBondContact O-N 2.85Å; L243-K247 HydrophobicContact CD1-CB 4.06Å; L243-K247 HydrophobicContact CD1-CG 3.83Å
244	G	93.3	Very high	94.5	Very high	4 Å²	4	36.8 Å²	36.8	4%	0.041	21%	0.213	C	C	.	.			trans	-96.4	-165.9	168.3	0	0	0	0	0	112.8	F164	F164-G244 WeakPolarHBondContact CE2-O 3.28Å
245	N	92	Very high	94	Very high	24 Å²	24	41.1 Å²	41.1	13%	0.128	24%	0.235	C	C	.	.	S	Bend	trans	-87.7	150.2	-178.1	-58.4	-76.2	0	0	0	112.1	V163 F164 G167 V168 S170 K247	V163-N245 VanDerWaalsContact CA-OD1 3.24Å; V163-N245 WeakPolarHBondContact CA-OD1 3.44Å; F164-N245 VanDerWaalsContact CD2-OD1 3.3Å; F164-N245 WeakPolarHBondContact CD2-OD1 3.41Å; F164-N245 PolarHBondContact N-OD1 3.42Å; G167-N245 PolarHBondContact O-ND2 3.16Å; V168-N245 WeakPolarHBondContact CA-ND2 3.18Å; V168-N245 PolarHBondContact O-ND2 3.33Å; S170-N245 PolarHBondContact O-ND2 3.33Å; N245-K247 PolarHBondContact O-N 3.4Å; N245-K247 VanDerWaalsContact O-N 3.14Å
246	R	90.3	Very high	93.5	Very high	126 Å²	126	42.3 Å²	42.3	48%	0.475	24%	0.242	S	C	.	.	S	Bend	trans	53	35.2	172.3	-57.1	-177.7	179.6	-170.6	-2.5	114.2	R160 T161 G162 V163	R160-R246 PolarHBondContact NH1-O 3Å; T161-R246 VanDerWaalsContact O-CA 3.25Å; T161-R246 WeakPolarHBondContact O-CA 3.38Å; T161-R246 PolarHBondContact OG1-N 3.32Å; G162-R246 PolarHBondContact O-N 3.22Å; G162-R246 VanDerWaalsContact O-N 3.11Å; V163-R246 HydrophobicContact CG2-CG 4.32Å
247	K	92.3	Very high	93.1	Very high	56 Å²	56	44.6 Å²	44.6	24%	0.243	25%	0.253	C	S	.	.			trans	-77.7	147.7	179.1	-61.5	-49.4	-164.3	117.8	0	110.8	R160 T161 I216 D217 L243 N245	R160-K247 CarbonylContact C-O 3.6Å; R160-K247 VanDerWaalsContact CA-O 3.24Å; R160-K247 WeakPolarHBondContact CA-O 3.41Å; T161-K247 PolarHBondContact N-O 3.21Å; T161-K247 PolarHBondContact OG1-N 3.4Å; I216-K247 HydrophobicContact CG2-CB 4.02Å; D217-K247 HydrophobicContact CB-CB 4.05Å; D217-K247 HydrophobicContact CB-CD 4.47Å; D217-K247 HydrophobicContact CB-CG 4.09Å; D217-K247 VanDerWaalsContact OD1-CD 3.28Å; D217-K247 WeakPolarHBondContact OD1-CD 3.25Å; D217-K247 IonicContact OD1-NZ 3.68Å; D217-K247 PolarHBondContact OD1-NZ 3.45Å; D217-K247 IonicContact OD2-NZ 3.96Å; D217-K247 PolarHBondContact OD2-NZ 3.43Å; L243-K247 HydrophobicContact CD1-CB 4.06Å; L243-K247 HydrophobicContact CD1-CG 3.83Å; N245-K247 PolarHBondContact O-N 3.4Å; N245-K247 VanDerWaalsContact O-N 3.14Å
248	G	92.6	Very high	92.7	Very high	20 Å²	20	46.3 Å²	46.3	21%	0.206	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	145	176.9	0	0	0	0	0	111.7	I159 I216 D217	I159-G248 CarbonylContact O-C 3.57Å; I159-G248 WeakPolarHBondContact O-CA 3.45Å; I216-G248 WeakPolarHBondContact CA-O 3.5Å; D217-G248 PolarHBondContact N-O 3.03Å
249	V	95.8	Very high	92.3	Very high	6 Å²	6	47.6 Å²	47.6	4%	0.036	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129	176.7	-178.4	0	0	0	0	108.9	I159 T161 V199 V214 F215 I216 L251	I159-V249 HydrophobicContact CB-CB 3.98Å; I159-V249 HydrophobicContact CG2-CB 3.77Å; I159-V249 HydrophobicContact CG2-CG1 4.23Å; I159-V249 HydrophobicContact CG2-CG2 4.3Å; I159-V249 PolarHBondContact O-N 3.34Å; T161-V249 HydrophobicContact CG2-CG2 3.75Å; V199-V249 HydrophobicContact CG1-CG2 4.24Å; V214-V249 HydrophobicContact CG1-CG1 3.56Å; F215-V249 CarbonylContact O-C 3.57Å; F215-V249 VanDerWaalsContact O-CA 3.31Å; F215-V249 WeakPolarHBondContact O-CA 3.3Å; I216-V249 HydrophobicContact CG1-CG2 4.31Å; V249-L251 HydrophobicContact CG1-CD2 4.07Å
250	N	95.5	Very high	91.7	Very high	8 Å²	8	44.5 Å²	44.5	4%	0.043	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	141.4	-178.9	-69.4	93.9	0	0	0	110	F215 P252 I339 E340	F215-N250 HydrophobicContact CB-CB 4.09Å; F215-N250 PolarHBondContact N-O 3.06Å; F215-N250 PolarHBondContact O-N 3.33Å; N250-P252 WeakPolarHBondContact O-CD 3.31Å; N250-I339 HydrophobicContact CB-CB 4.43Å; N250-I339 HydrophobicContact CB-CG2 3.51Å; N250-E340 WeakPolarHBondContact CA-OE1 3.41Å; N250-E340 WeakPolarHBondContact CB-OE1 3.44Å; N250-E340 PolarHBondContact ND2-OE1 2.84Å
251	L	95.2	Very high	91.5	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	26%	0.256	C	S	.	.			trans	-125.6	69	-171.5	-58.6	-173.9	0	0	0	111	I159 Y201 I204 V207 L208 V214 V249 G253 A254 V256 E340	I159-L251 HydrophobicContact CD1-CD1 3.54Å; I159-L251 HydrophobicContact CD1-CG 3.96Å; Y201-L251 HydrophobicContact CD1-CD1 3.96Å; Y201-L251 HydrophobicContact CE1-CD1 4.03Å; I204-L251 HydrophobicContact CD1-CD1 4.35Å; I204-L251 HydrophobicContact CD1-CD2 4.3Å; I204-L251 HydrophobicContact CG1-CD1 4Å; V207-L251 HydrophobicContact CG2-CD1 4.34Å; L208-L251 HydrophobicContact CD1-CD1 4.47Å; L208-L251 HydrophobicContact CD1-CD2 3.86Å; L208-L251 HydrophobicContact CD2-CB 4.34Å; L208-L251 HydrophobicContact CD2-CD2 4.4Å; V214-L251 HydrophobicContact CB-CD2 4.31Å; V214-L251 HydrophobicContact CG1-CD2 3.89Å; V214-L251 HydrophobicContact CG2-CD2 3.87Å; V249-L251 HydrophobicContact CG1-CD2 4.07Å; L251-G253 PolarHBondContact O-N 3.34Å; L251-A254 HydrophobicContact CB-CB 3.83Å; L251-A254 VanDerWaalsContact O-CB 3.25Å; L251-A254 WeakPolarHBondContact O-CB 3.35Å; L251-A254 PolarHBondContact O-N 3.25Å; L251-V256 HydrophobicContact CB-CG2 4.38Å; L251-V256 HydrophobicContact CD1-CG2 4.22Å; L251-E340 PolarHBondContact N-OE1 2.74Å
252	P	93	Very high	91.2	Very high	39 Å²	39	44.8 Å²	44.8	25%	0.253	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	128.6	-172	-28.9	38.4	0	0	0	113.1	F215 N250 A254 I339	F215-P252 HydrophobicContact CD2-CG 3.55Å; F215-P252 HydrophobicContact CE2-CG 3.75Å; N250-P252 WeakPolarHBondContact O-CD 3.31Å; P252-A254 PolarHBondContact O-N 3.34Å; P252-I339 VanDerWaalsContact CG-O 3.28Å; P252-I339 WeakPolarHBondContact CG-O 3.47Å
253	G	87.9	Confident	91.1	Very high	54 Å²	54	45.8 Å²	45.8	56%	0.557	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	-3.1	-179.7	0	0	0	0	0	115.2	L251	L251-G253 PolarHBondContact O-N 3.34Å
254	A	90.5	Very high	90.7	Very high	22 Å²	22	48.9 Å²	48.9	18%	0.182	28%	0.275	C	S	.	.			trans	-81.3	144.2	173	0	0	0	0	0	111.1	V207 L208 L251 P252 V256	V207-A254 HydrophobicContact CB-CB 4.38Å; V207-A254 HydrophobicContact CG2-CB 4.13Å; L208-A254 HydrophobicContact CD2-CB 3.72Å; L251-A254 HydrophobicContact CB-CB 3.83Å; L251-A254 VanDerWaalsContact O-CB 3.25Å; L251-A254 WeakPolarHBondContact O-CB 3.35Å; L251-A254 PolarHBondContact O-N 3.25Å; P252-A254 PolarHBondContact O-N 3.34Å; A254-V256 PolarHBondContact O-N 2.87Å
255	I	88.4	Confident	90.7	Very high	132 Å²	132	48.9 Å²	48.9	68%	0.677	28%	0.275	S	S	*	.			trans	-87.5	95.1	170.3	-57.4	176.2	0	0	0	107.3	V207	V207-I255 VanDerWaalsContact CG1-O 3.31Å; V207-I255 WeakPolarHBondContact CG1-O 3.27Å
256	V	89.3	Confident	90.8	Very high	27 Å²	27	50.6 Å²	50.6	16%	0.164	28%	0.283	C	S	.	.			trans	-77.1	127	178.6	179.7	0	0	0	0	109.4	I159 Y201 L251 A254 L258 R286	I159-V256 HydrophobicContact CD1-CG1 4.37Å; Y201-V256 HydrophobicContact CE1-CG1 4.3Å; Y201-V256 HydrophobicContact CE2-CG1 4.25Å; L251-V256 HydrophobicContact CB-CG2 4.38Å; L251-V256 HydrophobicContact CD1-CG2 4.22Å; A254-V256 PolarHBondContact O-N 2.87Å; V256-L258 HydrophobicContact CG1-CB 4.04Å; V256-L258 HydrophobicContact CG1-CD1 3.89Å; V256-L258 HydrophobicContact CG1-CG 3.76Å; V256-R286 PolarHBondContact O-NH1 2.64Å; V256-R286 PolarHBondContact O-NH2 3.31Å
257	D	89.5	Confident	91	Very high	92 Å²	92	50.6 Å²	50.6	49%	0.492	28%	0.283	S	S	.	.			trans	-100.3	14.7	-174.5	71.6	-15.5	0	0	0	114.3	Y201 N203	Y201-D257 WeakPolarHBondContact CE2-OD1 3.15Å; Y201-D257 PolarHBondContact OH-N 3.32Å; Y201-D257 PolarHBondContact OH-OD1 3.25Å; N203-D257 VanDerWaalsContact ND2-CG 3.28Å; N203-D257 PolarHBondContact ND2-OD1 3.36Å; N203-D257 PolarHBondContact ND2-OD2 3.11Å
258	L	89.3	Confident	91.1	Very high	39 Å²	39	48.1 Å²	48.1	20%	0.204	27%	0.272	C	S	.	.			trans	-55.9	139.6	172.1	-70.4	176.1	0	0	0	111.3	P157 I159 Y201 V256 A260 R286	P157-L258 HydrophobicContact CB-CB 3.59Å; P157-L258 HydrophobicContact CB-CD1 3.94Å; P157-L258 HydrophobicContact CB-CG 4.42Å; P157-L258 WeakPolarHBondContact O-CD1 3.43Å; I159-L258 HydrophobicContact CG1-CD1 3.89Å; Y201-L258 HydrophobicContact CD2-CD1 4.33Å; Y201-L258 HydrophobicContact CD2-CD2 3.73Å; Y201-L258 HydrophobicContact CD2-CG 3.88Å; Y201-L258 HydrophobicContact CE2-CD2 4.01Å; Y201-L258 HydrophobicContact CE2-CG 3.91Å; V256-L258 HydrophobicContact CG1-CB 4.04Å; V256-L258 HydrophobicContact CG1-CD1 3.89Å; V256-L258 HydrophobicContact CG1-CG 3.76Å; L258-A260 PolarHBondContact O-N 2.7Å; L258-R286 PolarHBondContact O-NH2 3.18Å
259	P	88.5	Confident	91.3	Very high	80 Å²	80	47.2 Å²	47.2	52%	0.519	26%	0.263	S	S	.	.			trans	-59.9	141	180	26.6	-34.8	0	0	0	110.3	V261	P259-V261 PolarHBondContact O-N 3.01Å; P259-V261 VanDerWaalsContact O-N 3.12Å
260	A	83.7	Confident	91.3	Very high	26 Å²	26	51.2 Å²	51.2	22%	0.215	28%	0.281	C	S	.	.	S	Bend	trans	-61.8	-21.2	179.1	0	0	0	0	0	113.4	L258 G290	L258-A260 PolarHBondContact O-N 2.7Å; A260-G290 VanDerWaalsContact CB-CA 3.46Å
261	V	90.1	Very high	91.3	Very high	22 Å²	22	50.8 Å²	50.8	13%	0.133	28%	0.279	C	S	.	.	S	Bend	trans	-133.6	112.1	175.9	-168.6	0	0	0	0	107.8	P259 D265 I266 L269 A293 I294 V297	P259-V261 PolarHBondContact O-N 3.01Å; P259-V261 VanDerWaalsContact O-N 3.12Å; V261-D265 HydrophobicContact CG1-CB 3.68Å; V261-I266 HydrophobicContact CG1-CG1 3.77Å; V261-L269 HydrophobicContact CG1-CD1 4.1Å; V261-A293 HydrophobicContact CG2-CB 3.87Å; V261-I294 HydrophobicContact CG2-CG1 3.5Å; V261-V297 HydrophobicContact CG1-CG2 4.45Å
262	S	89.7	Confident	91.4	Very high	31 Å²	31	50.8 Å²	50.8	22%	0.217	28%	0.279	C	S	.	.			trans	-76.5	167.1	173.7	70	0	0	0	0	111.5	K264 D265 I266	S262-K264 PolarHBondContact O-N 3.17Å; S262-K264 PolarHBondContact OG-N 3.33Å; S262-D265 WeakPolarHBondContact CB-OD2 3.42Å; S262-D265 PolarHBondContact N-OD2 3.38Å; S262-D265 PolarHBondContact O-N 3.47Å; S262-D265 VanDerWaalsContact O-N 3.08Å; S262-D265 PolarHBondContact OG-N 3.42Å; S262-D265 VanDerWaalsContact OG-N 3.09Å; S262-D265 PolarHBondContact OG-OD2 3.29Å; S262-I266 WeakPolarHBondContact O-CG1 3.43Å; S262-I266 PolarHBondContact O-N 3.16Å
263	E	90.6	Very high	91.6	Very high	152 Å²	152	51.1 Å²	51.1	71%	0.71	28%	0.278	S	S	*	.	H	α-helix	trans	-58.4	-35.2	172.5	-66.4	-177	174.2	0	0	112.5	I266 R267	E263-I266 PolarHBondContact O-N 3.07Å; E263-R267 PolarHBondContact O-N 3.22Å
264	K	88.3	Confident	91.9	Very high	65 Å²	65	52.9 Å²	52.9	28%	0.283	27%	0.27	S	S	.	.	H	α-helix	trans	-65.6	-45	173.7	-176.5	-176.9	174.5	-65.3	0	110.7	F120 K155 S262 I266 R267 D268	F120-K264 PolarHBondContact O-NZ 3.35Å; K155-K264 HydrophobicContact CD-CD 3.84Å; S262-K264 PolarHBondContact O-N 3.17Å; S262-K264 PolarHBondContact OG-N 3.33Å; K264-I266 PolarHBondContact O-N 3.34Å; K264-R267 WeakPolarHBondContact O-CB 3.37Å; K264-R267 PolarHBondContact O-N 2.97Å; K264-R267 VanDerWaalsContact O-N 3.07Å; K264-D268 IonicContact NZ-OD1 3.17Å; K264-D268 IonicContact NZ-OD2 2.7Å; K264-D268 PolarHBondContact NZ-OD2 3.46Å; K264-D268 VanDerWaalsContact O-CG 3.25Å; K264-D268 PolarHBondContact O-N 2.86Å
265	D	91.8	Very high	92.1	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-36.6	177.4	-59.9	-49.8	0	0	0	111	G156 V261 S262 R267 D268 L269	G156-D265 PolarHBondContact N-OD1 3.04Å; V261-D265 HydrophobicContact CG1-CB 3.68Å; S262-D265 WeakPolarHBondContact CB-OD2 3.42Å; S262-D265 PolarHBondContact N-OD2 3.38Å; S262-D265 PolarHBondContact O-N 3.47Å; S262-D265 VanDerWaalsContact O-N 3.08Å; S262-D265 PolarHBondContact OG-N 3.42Å; S262-D265 VanDerWaalsContact OG-N 3.09Å; S262-D265 PolarHBondContact OG-OD2 3.29Å; D265-R267 PolarHBondContact O-N 3.2Å; D265-D268 PolarHBondContact O-N 3.1Å; D265-L269 WeakPolarHBondContact O-CB 3.38Å; D265-L269 WeakPolarHBondContact O-CG 3.27Å; D265-L269 PolarHBondContact O-N 3.34Å
266	I	94.6	Very high	92.3	Very high	61 Å²	61	48 Å²	48	31%	0.313	24%	0.243	S	C	.	.	H	α-helix	trans	-58.6	-46.7	173.1	-65.5	172.1	0	0	0	111	V261 S262 E263 K264 D268 L269 Q270 V297	V261-I266 HydrophobicContact CG1-CG1 3.77Å; S262-I266 WeakPolarHBondContact O-CG1 3.43Å; S262-I266 PolarHBondContact O-N 3.16Å; E263-I266 PolarHBondContact O-N 3.07Å; K264-I266 PolarHBondContact O-N 3.34Å; I266-D268 VanDerWaalsContact C-N 3.34Å; I266-D268 PolarHBondContact O-N 2.97Å; I266-L269 PolarHBondContact O-N 2.99Å; I266-Q270 VanDerWaalsContact O-CG 3.31Å; I266-Q270 WeakPolarHBondContact O-CG 3.47Å; I266-Q270 PolarHBondContact O-N 3.16Å; I266-V297 HydrophobicContact CB-CG1 4.41Å; I266-V297 HydrophobicContact CG1-CG1 4.29Å; I266-V297 HydrophobicContact CG1-CG2 4.17Å; I266-V297 HydrophobicContact CG2-CG1 4.09Å
267	R	94.3	Very high	92.7	Very high	126 Å²	126	46.7 Å²	46.7	48%	0.475	24%	0.235	S	C	.	.	H	α-helix	trans	-63.2	-40.6	176.7	-67.8	-169.2	-67.3	-113.9	2.5	111.9	E263 K264 D265 Q270 F271	E263-R267 PolarHBondContact O-N 3.22Å; K264-R267 WeakPolarHBondContact O-CB 3.37Å; K264-R267 PolarHBondContact O-N 2.97Å; K264-R267 VanDerWaalsContact O-N 3.07Å; D265-R267 PolarHBondContact O-N 3.2Å; R267-Q270 PolarHBondContact O-N 2.83Å; R267-F271 WeakPolarHBondContact O-CB 3.47Å; R267-F271 PolarHBondContact O-N 3.11Å
268	D	94.8	Very high	93.1	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.016	21%	0.212	C	C	.	.	H	α-helix	trans	-66	-38.6	178	-64.2	-14.8	0	0	0	111.6	F120 H125 L152 K264 D265 I266 F271 A272	F120-D268 HydrophobicContact CD1-CB 3.8Å; F120-D268 VanDerWaalsContact CD1-CG 3.45Å; F120-D268 HydrophobicContact CE1-CB 4.28Å; H125-D268 IonicContact CD2-OD1 2.61Å; H125-D268 IonicContact CE1-OD1 2.95Å; H125-D268 IonicContact NE2-OD1 3.35Å; H125-D268 PolarHBondContact NE2-OD1 3.06Å; L152-D268 WeakPolarHBondContact CD1-O 3.46Å; K264-D268 IonicContact NZ-OD1 3.17Å; K264-D268 IonicContact NZ-OD2 2.7Å; K264-D268 PolarHBondContact NZ-OD2 3.46Å; K264-D268 VanDerWaalsContact O-CG 3.25Å; K264-D268 PolarHBondContact O-N 2.86Å; D265-D268 PolarHBondContact O-N 3.1Å; I266-D268 VanDerWaalsContact C-N 3.34Å; I266-D268 PolarHBondContact O-N 2.97Å; D268-F271 WeakPolarHBondContact O-CB 3.33Å; D268-F271 PolarHBondContact O-N 3.2Å; D268-A272 PolarHBondContact O-N 3.23Å
269	L	96.1	Very high	93.5	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-67.9	-39.5	174.8	-68.6	171.4	0	0	0	111.8	T154 V261 D265 I266 F271 A272 I273 I280 I294 V297 L298	T154-L269 HydrophobicContact CG2-CD2 4.45Å; V261-L269 HydrophobicContact CG1-CD1 4.1Å; D265-L269 WeakPolarHBondContact O-CB 3.38Å; D265-L269 WeakPolarHBondContact O-CG 3.27Å; D265-L269 PolarHBondContact O-N 3.34Å; I266-L269 PolarHBondContact O-N 2.99Å; L269-F271 VanDerWaalsContact C-N 3.32Å; L269-A272 VanDerWaalsContact O-CB 3.27Å; L269-A272 WeakPolarHBondContact O-CB 3.47Å; L269-A272 PolarHBondContact O-N 3.34Å; L269-A272 VanDerWaalsContact O-N 3.16Å; L269-I273 WeakPolarHBondContact O-CG1 3.34Å; L269-I273 PolarHBondContact O-N 2.65Å; L269-I273 VanDerWaalsContact O-N 3.13Å; L269-I280 HydrophobicContact CD2-CD1 3.93Å; L269-I280 HydrophobicContact CD2-CG1 3.85Å; L269-I280 HydrophobicContact CD2-CG2 3.88Å; L269-I294 HydrophobicContact CD1-CG2 4.09Å; L269-I294 HydrophobicContact CD2-CG2 4.06Å; L269-V297 HydrophobicContact CB-CG1 3.97Å; L269-V297 HydrophobicContact CD1-CB 3.97Å; L269-V297 HydrophobicContact CD1-CG1 3.71Å; L269-L298 HydrophobicContact CB-CD2 4.26Å; L269-L298 HydrophobicContact CD2-CD2 4.05Å; L269-L298 HydrophobicContact CD2-CG 4.47Å
270	Q	96.2	Very high	94	Very high	90 Å²	90	36.8 Å²	36.8	42%	0.421	18%	0.178	S	C	.	.	H	α-helix	trans	-63.3	-39.9	172.5	-72.7	172.2	-12.6	0	0	111.7	I27 I266 R267 A272 I273 K274	I27-Q270 HydrophobicContact CD1-CB 4.17Å; I266-Q270 VanDerWaalsContact O-CG 3.31Å; I266-Q270 WeakPolarHBondContact O-CG 3.47Å; I266-Q270 PolarHBondContact O-N 3.16Å; R267-Q270 PolarHBondContact O-N 2.83Å; Q270-A272 VanDerWaalsContact C-N 3.31Å; Q270-A272 PolarHBondContact O-N 3.48Å; Q270-I273 PolarHBondContact O-N 2.78Å; Q270-K274 WeakPolarHBondContact O-CB 3.21Å; Q270-K274 PolarHBondContact O-N 3.39Å
271	F	96.6	Very high	94.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-58.8	-42.9	171.2	174.7	-80.5	0	0	0	111.3	I27 F120 H125 H128 A129 I132 L152 R267 D268 L269 I273 K274 N275	I27-F271 HydrophobicContact CG2-CB 4.32Å; I27-F271 HydrophobicContact CG2-CD2 4.22Å; F120-F271 AromaticContact CE1-CD1 3.83Å; F120-F271 HydrophobicContact CE1-CD1 3.83Å; F120-F271 HydrophobicContact CE1-CE1 4.23Å; F120-F271 HydrophobicContact CE1-CG 4.24Å; F120-F271 AromaticContact CZ-CD1 3.53Å; F120-F271 HydrophobicContact CZ-CD1 3.53Å; F120-F271 AromaticContact CZ-CE1 3.54Å; F120-F271 HydrophobicContact CZ-CE1 3.54Å; F120-F271 HydrophobicContact CZ-CG 4.34Å; F120-F271 HydrophobicContact CZ-CZ 4.31Å; H125-F271 HydrophobicContact CB-CD2 3.72Å; H125-F271 HydrophobicContact CB-CE2 3.84Å; H125-F271 AromaticContact CG-CD2 3.61Å; H125-F271 AromaticContact ND1-CD2 3.65Å; H125-F271 VanDerWaalsContact O-CE2 3.3Å; H125-F271 WeakPolarHBondContact O-CE2 3.23Å; H128-F271 HydrophobicContact CB-CE1 4.3Å; H128-F271 HydrophobicContact CB-CZ 4.03Å; A129-F271 HydrophobicContact CB-CE2 4.06Å; A129-F271 HydrophobicContact CB-CZ 4.08Å; I132-F271 HydrophobicContact CD1-CE1 3.74Å; I132-F271 HydrophobicContact CD1-CZ 4Å; L152-F271 HydrophobicContact CD1-CD1 4.12Å; R267-F271 WeakPolarHBondContact O-CB 3.47Å; R267-F271 PolarHBondContact O-N 3.11Å; D268-F271 WeakPolarHBondContact O-CB 3.33Å; D268-F271 PolarHBondContact O-N 3.2Å; L269-F271 VanDerWaalsContact C-N 3.32Å; F271-I273 PolarHBondContact O-N 3.42Å; F271-K274 PolarHBondContact O-N 2.72Å; F271-N275 VanDerWaalsContact CD2-ND2 3.31Å; F271-N275 WeakPolarHBondContact CD2-ND2 3.38Å; F271-N275 HydrophobicContact CE1-CB 4.12Å; F271-N275 WeakPolarHBondContact CE2-ND2 3.43Å; F271-N275 HydrophobicContact CZ-CB 4.28Å; F271-N275 WeakPolarHBondContact CZ-ND2 3.35Å; F271-N275 WeakPolarHBondContact O-CB 3.45Å; F271-N275 PolarHBondContact O-N 3.31Å; F271-N275 PolarHBondContact O-ND2 2.89Å
272	A	96.6	Very high	95.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.6	-47.2	178.9	0	0	0	0	0	112.4	L152 D268 L269 Q270 N275 D276 V277 I280	L152-A272 HydrophobicContact CD1-CB 3.96Å; D268-A272 PolarHBondContact O-N 3.23Å; L269-A272 VanDerWaalsContact O-CB 3.27Å; L269-A272 WeakPolarHBondContact O-CB 3.47Å; L269-A272 PolarHBondContact O-N 3.34Å; L269-A272 VanDerWaalsContact O-N 3.16Å; Q270-A272 VanDerWaalsContact C-N 3.31Å; Q270-A272 PolarHBondContact O-N 3.48Å; A272-N275 PolarHBondContact O-N 2.87Å; A272-D276 PolarHBondContact O-N 3.05Å; A272-V277 HydrophobicContact CB-CB 4.08Å; A272-V277 HydrophobicContact CB-CG2 4.27Å; A272-V277 PolarHBondContact O-N 3.32Å; A272-V277 VanDerWaalsContact O-N 3.07Å; A272-I280 HydrophobicContact CB-CD1 3.61Å
273	I	95.9	Very high	95.4	Very high	47 Å²	47	33.2 Å²	33.2	24%	0.241	15%	0.152	C	C	.	.	H	α-helix	trans	-60.6	-48.3	176.6	-61.4	163.8	0	0	0	109.8	L269 Q270 F271 N275 D276 L298 A301 I305	L269-I273 WeakPolarHBondContact O-CG1 3.34Å; L269-I273 PolarHBondContact O-N 2.65Å; L269-I273 VanDerWaalsContact O-N 3.13Å; Q270-I273 PolarHBondContact O-N 2.78Å; F271-I273 PolarHBondContact O-N 3.42Å; I273-N275 VanDerWaalsContact C-N 3.26Å; I273-N275 PolarHBondContact O-N 3.35Å; I273-D276 PolarHBondContact O-N 3.32Å; I273-L298 HydrophobicContact CD1-CD2 4.24Å; I273-L298 WeakPolarHBondContact CD1-O 3.44Å; I273-L298 HydrophobicContact CG1-CD2 4.01Å; I273-A301 HydrophobicContact CG2-CB 3.77Å; I273-I305 HydrophobicContact CG1-CD1 4.29Å
274	K	94.8	Very high	95.6	Very high	90 Å²	90	27 Å²	27	39%	0.391	12%	0.123	S	C	.	.	H	α-helix	trans	-63.7	-31.1	-176.3	-170.8	178.4	-137	-145.6	0	113.2	I27 T29 Q270 F271	I27-K274 HydrophobicContact CB-CD 3.99Å; I27-K274 HydrophobicContact CG2-CD 3.47Å; I27-K274 VanDerWaalsContact CG2-CD 3.47Å; I27-K274 PolarHBondContact O-NZ 2.77Å; T29-K274 HydrophobicContact CG2-CD 3.57Å; T29-K274 HydrophobicContact CG2-CG 3.6Å; Q270-K274 WeakPolarHBondContact O-CB 3.21Å; Q270-K274 PolarHBondContact O-N 3.39Å; F271-K274 PolarHBondContact O-N 2.72Å
275	N	94.6	Very high	96	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	17.9	-177.2	-65.3	-86.1	0	0	0	113.1	T28 L30 I132 F271 A272 I273 V277	T28-N275 PolarHBondContact O-ND2 3.11Å; L30-N275 HydrophobicContact CD1-CB 4.24Å; L30-N275 WeakPolarHBondContact CD1-O 3.35Å; L30-N275 HydrophobicContact CG-CB 4.03Å; L30-N275 WeakPolarHBondContact CG-OD1 3.42Å; L30-N275 PolarHBondContact N-OD1 2.89Å; I132-N275 HydrophobicContact CD1-CB 3.76Å; F271-N275 VanDerWaalsContact CD2-ND2 3.31Å; F271-N275 WeakPolarHBondContact CD2-ND2 3.38Å; F271-N275 HydrophobicContact CE1-CB 4.12Å; F271-N275 WeakPolarHBondContact CE2-ND2 3.43Å; F271-N275 HydrophobicContact CZ-CB 4.28Å; F271-N275 WeakPolarHBondContact CZ-ND2 3.35Å; F271-N275 WeakPolarHBondContact O-CB 3.45Å; F271-N275 PolarHBondContact O-N 3.31Å; F271-N275 PolarHBondContact O-ND2 2.89Å; A272-N275 PolarHBondContact O-N 2.87Å; I273-N275 VanDerWaalsContact C-N 3.26Å; I273-N275 PolarHBondContact O-N 3.35Å; N275-V277 VanDerWaalsContact C-N 3.3Å; N275-V277 PolarHBondContact O-N 3.03Å
276	D	93.5	Very high	96.1	Very high	52 Å²	52	25.4 Å²	25.4	28%	0.278	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	44.2	174.5	-163	48.9	0	0	0	114.7	A272 I273 H304 H498 R501	A272-D276 PolarHBondContact O-N 3.05Å; I273-D276 PolarHBondContact O-N 3.32Å; D276-H304 IonicContact OD1-NE2 2.81Å; D276-H498 VanDerWaalsContact CG-NE2 3.32Å; D276-H498 IonicContact OD1-CD2 3.07Å; D276-H498 PolarHBondContact OD1-CD2 2.79Å; D276-H498 IonicContact OD1-CE1 2.69Å; D276-H498 IonicContact OD1-NE2 3.12Å; D276-H498 PolarHBondContact OD1-NE2 2.66Å; D276-H498 IonicContact OD2-CD2 2.66Å; D276-H498 IonicContact OD2-NE2 3.3Å; D276-H498 PolarHBondContact OD2-NE2 3.1Å; D276-H498 VanDerWaalsContact OD2-NE2 3.17Å; D276-R501 PolarHBondContact O-NH1 3.28Å; D276-R501 IonicContact OD2-CZ 3.73Å; D276-R501 IonicContact OD2-NH1 2.68Å; D276-R501 IonicContact OD2-NH2 3.76Å; D276-R501 PolarHBondContact OD2-NH2 2.72Å
277	V	96.8	Very high	96.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.11	C	C	.	.			trans	-70.6	142.5	175.7	175.5	0	0	0	0	110	I132 I150 L152 A272 N275 I279 I305	I132-V277 HydrophobicContact CD1-CG2 4.16Å; I150-V277 HydrophobicContact CG2-CG1 4.41Å; I150-V277 HydrophobicContact CG2-CG2 4.31Å; I150-V277 VanDerWaalsContact O-CG1 3.3Å; I150-V277 WeakPolarHBondContact O-CG1 3.32Å; L152-V277 HydrophobicContact CB-CG1 3.96Å; A272-V277 HydrophobicContact CB-CB 4.08Å; A272-V277 HydrophobicContact CB-CG2 4.27Å; A272-V277 PolarHBondContact O-N 3.32Å; A272-V277 VanDerWaalsContact O-N 3.07Å; N275-V277 VanDerWaalsContact C-N 3.3Å; N275-V277 PolarHBondContact O-N 3.03Å; V277-I279 WeakPolarHBondContact CG1-O 3.37Å; V277-I305 WeakPolarHBondContact O-CG1 3.32Å
278	D	98.2	Very high	96.3	Very high	3 Å²	3	19 Å²	19	2%	0.016	9%	0.092	C	C	.	.	S	Bend	trans	-87.5	-32.4	-173.7	-59.1	-71.8	0	0	0	113.3	A149 I150 I305 K306 R501	A149-D278 WeakPolarHBondContact CA-OD2 3.47Å; A149-D278 HydrophobicContact CB-CB 4.26Å; I150-D278 PolarHBondContact N-OD2 3.32Å; I150-D278 WeakPolarHBondContact O-CB 3.35Å; I150-D278 PolarHBondContact O-N 2.9Å; D278-I305 WeakPolarHBondContact O-CA 3.38Å; D278-K306 PolarHBondContact O-N 2.88Å; D278-R501 HydrophobicContact CB-CB 4.36Å; D278-R501 WeakPolarHBondContact OD1-CB 3.41Å; D278-R501 WeakPolarHBondContact OD1-CD 3.47Å; D278-R501 IonicContact OD1-CZ 3.48Å; D278-R501 IonicContact OD1-NE 3.39Å; D278-R501 PolarHBondContact OD1-NE 3.15Å; D278-R501 IonicContact OD1-NH1 2.65Å; D278-R501 PolarHBondContact OD1-NH1 3Å; D278-R501 IonicContact OD1-NH2 2.72Å; D278-R501 PolarHBondContact OD1-NH2 3.39Å; D278-R501 VanDerWaalsContact OD2-CD 3.25Å; D278-R501 WeakPolarHBondContact OD2-CD 3.4Å; D278-R501 IonicContact OD2-CZ 3.71Å; D278-R501 IonicContact OD2-NE 3.43Å; D278-R501 PolarHBondContact OD2-NE 3.14Å; D278-R501 IonicContact OD2-NH1 3.78Å; D278-R501 PolarHBondContact OD2-NH1 2.84Å; D278-R501 VanDerWaalsContact OD2-NH1 3.1Å
279	I	98.8	Very high	96.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	137.2	-168.8	-52.4	161	0	0	0	110.5	I115 A149 I150 A151 L152 V277 F281 K306 V308 L505	I115-I279 HydrophobicContact CD1-CD1 3.91Å; I115-I279 HydrophobicContact CG2-CD1 4.14Å; A149-I279 HydrophobicContact CB-CD1 4.16Å; I150-I279 PolarHBondContact O-N 3.03Å; A151-I279 CarbonylContact C-O 3.5Å; A151-I279 VanDerWaalsContact CA-O 3.26Å; A151-I279 WeakPolarHBondContact CA-O 3.31Å; A151-I279 HydrophobicContact CB-CB 3.97Å; A151-I279 HydrophobicContact CB-CG2 4.43Å; L152-I279 PolarHBondContact N-O 3.38Å; V277-I279 WeakPolarHBondContact CG1-O 3.37Å; I279-F281 HydrophobicContact CB-CE1 4.38Å; I279-F281 HydrophobicContact CG2-CD1 3.68Å; I279-F281 HydrophobicContact CG2-CE1 3.43Å; I279-F281 VanDerWaalsContact CG2-CE1 3.43Å; I279-F281 HydrophobicContact CG2-CZ 4.41Å; I279-K306 CarbonylContact C-O 3.49Å; I279-K306 WeakPolarHBondContact CA-O 3.38Å; I279-K306 HydrophobicContact CG1-CB 4.29Å; I279-K306 HydrophobicContact CG2-CB 4.33Å; I279-V308 HydrophobicContact CG2-CG2 3.8Å; I279-L505 HydrophobicContact CD1-CD1 3.79Å; I279-L505 HydrophobicContact CD1-CD2 3.99Å; I279-L505 HydrophobicContact CD1-CG 3.81Å; I279-L505 HydrophobicContact CG1-CD1 4.05Å; I279-L505 HydrophobicContact CG2-CD1 4.48Å
280	I	98.6	Very high	96.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	124.8	164.5	-56.1	-52.6	0	0	0	108.7	L152 T154 L269 A272 A282 L298 I305 K306 V308	L152-I280 HydrophobicContact CB-CD1 3.99Å; L152-I280 HydrophobicContact CD2-CD1 4.29Å; L152-I280 CarbonylContact O-C 3.21Å; L152-I280 WeakPolarHBondContact O-CA 3.38Å; T154-I280 HydrophobicContact CG2-CG2 3.85Å; L269-I280 HydrophobicContact CD2-CD1 3.93Å; L269-I280 HydrophobicContact CD2-CG1 3.85Å; L269-I280 HydrophobicContact CD2-CG2 3.88Å; A272-I280 HydrophobicContact CB-CD1 3.61Å; I280-A282 HydrophobicContact CG2-CB 4.45Å; I280-L298 HydrophobicContact CG1-CD1 4.3Å; I280-L298 HydrophobicContact CG1-CD2 4.49Å; I280-I305 HydrophobicContact CD1-CG2 4.15Å; I280-I305 HydrophobicContact CG1-CG2 3.72Å; I280-K306 PolarHBondContact N-O 3.1Å; I280-V308 PolarHBondContact O-N 3.3Å
281	F	98.5	Very high	96.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	107	161.8	-53.8	-28.2	0	0	0	107.8	I92 R117 A151 L152 D153 T154 I279 V308 K310 M331 I365 M400	I92-F281 HydrophobicContact CD1-CZ 4Å; I92-F281 HydrophobicContact CG2-CE2 4.09Å; I92-F281 HydrophobicContact CG2-CZ 4.24Å; R117-F281 HydrophobicContact CB-CE2 4.15Å; R117-F281 HydrophobicContact CG-CD2 4.12Å; R117-F281 HydrophobicContact CG-CE2 4.05Å; A151-F281 HydrophobicContact CB-CD1 4.38Å; A151-F281 HydrophobicContact CB-CD2 4.03Å; A151-F281 HydrophobicContact CB-CE1 3.93Å; A151-F281 HydrophobicContact CB-CE2 3.47Å; A151-F281 VanDerWaalsContact CB-CE2 3.47Å; A151-F281 HydrophobicContact CB-CG 4.46Å; A151-F281 HydrophobicContact CB-CZ 3.42Å; A151-F281 VanDerWaalsContact CB-CZ 3.42Å; L152-F281 PolarHBondContact O-N 2.88Å; D153-F281 WeakPolarHBondContact CA-O 3.45Å; D153-F281 HydrophobicContact CB-CB 4.04Å; D153-F281 HydrophobicContact CB-CD2 4.14Å; T154-F281 PolarHBondContact N-O 3.48Å; T154-F281 PolarHBondContact OG1-O 3.49Å; I279-F281 HydrophobicContact CB-CE1 4.38Å; I279-F281 HydrophobicContact CG2-CD1 3.68Å; I279-F281 HydrophobicContact CG2-CE1 3.43Å; I279-F281 VanDerWaalsContact CG2-CE1 3.43Å; I279-F281 HydrophobicContact CG2-CZ 4.41Å; F281-V308 WeakPolarHBondContact CA-O 3.47Å; F281-V308 HydrophobicContact CD1-CB 3.82Å; F281-V308 HydrophobicContact CD1-CG1 4.17Å; F281-V308 HydrophobicContact CD1-CG2 4.23Å; F281-V308 HydrophobicContact CE1-CB 4.25Å; F281-V308 HydrophobicContact CE1-CG1 4.48Å; F281-V308 HydrophobicContact CE1-CG2 4.21Å; F281-K310 HydrophobicContact CB-CD 3.87Å; F281-K310 HydrophobicContact CB-CG 4.18Å; F281-M331 HydrophobicContact CB-CE 4.21Å; F281-M331 HydrophobicContact CD1-CE 3.97Å; F281-M331 HydrophobicContact CD2-CE 3.43Å; F281-M331 VanDerWaalsContact CD2-CE 3.43Å; F281-M331 HydrophobicContact CE1-CE 4.08Å; F281-M331 HydrophobicContact CE2-CE 3.6Å; F281-M331 HydrophobicContact CG-CE 3.63Å; F281-M331 HydrophobicContact CZ-CE 3.93Å; F281-I365 HydrophobicContact CE1-CD1 3.8Å; F281-I365 HydrophobicContact CZ-CD1 4.01Å; F281-M400 HydrophobicContact CE2-SD 4.35Å
282	A	97.6	Very high	96.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	114	-173.8	0	0	0	0	0	110.8	I280 I285 I294 V307 V308 K310	I280-A282 HydrophobicContact CG2-CB 4.45Å; A282-I285 HydrophobicContact CB-CD1 3.96Å; A282-I285 HydrophobicContact CB-CG1 3.74Å; A282-I285 WeakPolarHBondContact O-CG1 3.21Å; A282-I294 HydrophobicContact CB-CD1 3.25Å; A282-V307 HydrophobicContact CB-CG1 4.38Å; A282-V308 PolarHBondContact N-O 3.25Å; A282-K310 VanDerWaalsContact O-CB 3.26Å; A282-K310 WeakPolarHBondContact O-CB 3.37Å; A282-K310 WeakPolarHBondContact O-CG 3.16Å; A282-K310 PolarHBondContact O-N 2.89Å
283	S	96	Very high	96.5	Very high	3 Å²	3	27 Å²	27	2%	0.021	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	146.4	-174.9	-58.7	0	0	0	0	112.5	D153 T154 I285 K310 E312	D153-S283 PolarHBondContact OD1-OG 3.32Å; T154-S283 WeakPolarHBondContact O-CB 3.48Å; T154-S283 PolarHBondContact O-OG 3.26Å; T154-S283 PolarHBondContact OG1-N 2.99Å; T154-S283 PolarHBondContact OG1-OG 3.35Å; S283-I285 VanDerWaalsContact C-N 3.32Å; S283-I285 PolarHBondContact O-N 2.7Å; S283-K310 WeakPolarHBondContact OG-CD 3.47Å; S283-K310 PolarHBondContact OG-NZ 3.35Å; S283-E312 WeakPolarHBondContact CA-OE2 3.47Å
284	F	94.5	Very high	96.6	Very high	21 Å²	21	25 Å²	25	9%	0.092	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	45.1	177	-59.9	-87.4	0	0	0	114.4	P157 E158 R286 E312 D336	P157-F284 HydrophobicContact CG-CB 3.79Å; P157-F284 HydrophobicContact CG-CG 4.45Å; E158-F284 HydrophobicContact CG-CE2 3.73Å; E158-F284 HydrophobicContact CG-CZ 4.4Å; F284-R286 WeakPolarHBondContact O-CG 3.24Å; F284-R286 PolarHBondContact O-N 2.85Å; F284-E312 HydrophobicContact CD1-CB 4.08Å; F284-E312 HydrophobicContact CE1-CB 4.23Å; F284-E312 PolarHBondContact N-OE2 2.71Å; F284-D336 HydrophobicContact CE1-CB 4.13Å; F284-D336 HydrophobicContact CZ-CB 4.16Å; F284-D336 WeakPolarHBondContact CZ-OD1 3.44Å
285	I	96.5	Very high	96.7	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	12%	0.12	C	C	.	.			trans	-72.5	122.2	174.3	-67.2	-69.3	0	0	0	109.9	A282 S283 V291 I294 K310 I323	A282-I285 HydrophobicContact CB-CD1 3.96Å; A282-I285 HydrophobicContact CB-CG1 3.74Å; A282-I285 WeakPolarHBondContact O-CG1 3.21Å; S283-I285 VanDerWaalsContact C-N 3.32Å; S283-I285 PolarHBondContact O-N 2.7Å; I285-V291 HydrophobicContact CD1-CG2 4.38Å; I285-V291 HydrophobicContact CG2-CG2 3.63Å; I285-I294 HydrophobicContact CD1-CD1 3.84Å; I285-K310 PolarHBondContact N-O 3.45Å; I285-I323 HydrophobicContact CG2-CB 4.47Å; I285-I323 HydrophobicContact CG2-CD1 4.13Å; I285-I323 HydrophobicContact CG2-CG1 4.04Å; I285-I323 HydrophobicContact CG2-CG2 3.59Å
286	R	95	Very high	96.9	Very high	35 Å²	35	33.2 Å²	33.2	13%	0.132	16%	0.158	C	C	.	.			trans	-105.9	-26.5	-172.3	-70	179	-54.6	130.4	-17.5	114.4	V256 L258 F284 N313 E315 N319	V256-R286 PolarHBondContact O-NH1 2.64Å; V256-R286 PolarHBondContact O-NH2 3.31Å; L258-R286 PolarHBondContact O-NH2 3.18Å; F284-R286 WeakPolarHBondContact O-CG 3.24Å; F284-R286 PolarHBondContact O-N 2.85Å; R286-N313 WeakPolarHBondContact CG-ND2 3.43Å; R286-E315 HydrophobicContact CB-CB 4.38Å; R286-E315 HydrophobicContact CB-CG 4.11Å; R286-E315 VanDerWaalsContact CD-OE2 3.31Å; R286-E315 WeakPolarHBondContact CD-OE2 3.43Å; R286-E315 HydrophobicContact CG-CB 4.36Å; R286-E315 IonicContact CZ-OE2 3.24Å; R286-E315 IonicContact NH1-OE1 2.81Å; R286-E315 IonicContact NH1-OE2 2.77Å; R286-E315 PolarHBondContact NH1-OE2 2.73Å; R286-N319 WeakPolarHBondContact O-CB 3.25Å; R286-N319 PolarHBondContact O-ND2 3.34Å
287	N	95.9	Very high	97	Very high	41 Å²	41	33 Å²	33	22%	0.219	16%	0.158	C	C	.	.	S	Bend	trans	-160.6	172.8	-175.4	53.6	53.6	0	0	0	110.7	E289 G290 E322	N287-E289 VanDerWaalsContact C-N 3.27Å; N287-E289 PolarHBondContact O-N 3.08Å; N287-E289 PolarHBondContact OD1-N 3.22Å; N287-G290 PolarHBondContact O-N 2.77Å; N287-G290 PolarHBondContact OD1-N 3.33Å; N287-E322 WeakPolarHBondContact CA-OE1 3.26Å; N287-E322 WeakPolarHBondContact CB-OE1 3.36Å
288	A	97.8	Very high	97	Very high	11 Å²	11	33.3 Å²	33.3	9%	0.091	16%	0.159	C	C	.	.	H	α-helix	trans	-63.1	-29.8	-179.9	0	0	0	0	0	113.7	V291 K292 E322 A326	A288-V291 PolarHBondContact O-N 3.47Å; A288-K292 WeakPolarHBondContact O-CG 3.13Å; A288-K292 PolarHBondContact O-N 3.33Å; A288-K292 VanDerWaalsContact O-N 3.1Å; A288-E322 HydrophobicContact CB-CB 4.14Å; A288-E322 HydrophobicContact CB-CG 4.33Å; A288-E322 PolarHBondContact N-OE1 2.8Å; A288-A326 HydrophobicContact CB-CB 4.02Å
289	E	96.6	Very high	97	Very high	118 Å²	118	34.9 Å²	34.9	55%	0.551	18%	0.177	S	C	*	.	H	α-helix	trans	-67	-36.4	179.2	-66.6	-53.6	124.5	0	0	112.1	N287 V291 K292 A293	N287-E289 VanDerWaalsContact C-N 3.27Å; N287-E289 PolarHBondContact O-N 3.08Å; N287-E289 PolarHBondContact OD1-N 3.22Å; E289-V291 VanDerWaalsContact C-N 3.3Å; E289-V291 PolarHBondContact O-N 3.32Å; E289-K292 PolarHBondContact O-N 3.09Å; E289-K292 WeakPolarHBondContact OE1-CD 3.26Å; E289-K292 IonicContact OE1-NZ 3.29Å; E289-K292 PolarHBondContact OE1-NZ 3.03Å; E289-A293 WeakPolarHBondContact O-CB 3.43Å; E289-A293 PolarHBondContact O-N 3.45Å
290	G	96	Very high	96.9	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-58.3	-41.8	172.9	0	0	0	0	0	112.7	A260 N287 A293 I294	A260-G290 VanDerWaalsContact CB-CA 3.46Å; N287-G290 PolarHBondContact O-N 2.77Å; N287-G290 PolarHBondContact OD1-N 3.33Å; G290-A293 PolarHBondContact O-N 3.36Å; G290-I294 PolarHBondContact O-N 2.96Å
291	V	97.5	Very high	96.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.4	-43.5	176.3	-170.5	0	0	0	0	111.3	I285 A288 E289 A293 I294 R295 V307 S309 I323 A326	I285-V291 HydrophobicContact CD1-CG2 4.38Å; I285-V291 HydrophobicContact CG2-CG2 3.63Å; A288-V291 PolarHBondContact O-N 3.47Å; E289-V291 VanDerWaalsContact C-N 3.3Å; E289-V291 PolarHBondContact O-N 3.32Å; V291-A293 VanDerWaalsContact C-N 3.31Å; V291-A293 PolarHBondContact O-N 3.05Å; V291-I294 PolarHBondContact O-N 3.42Å; V291-R295 WeakPolarHBondContact O-CG 3.5Å; V291-R295 PolarHBondContact O-N 3.45Å; V291-V307 HydrophobicContact CG1-CG1 4.11Å; V291-S309 WeakPolarHBondContact CG2-OG 3.47Å; V291-I323 HydrophobicContact CG2-CG2 4.2Å; V291-A326 HydrophobicContact CB-CB 3.9Å; V291-A326 HydrophobicContact CG1-CB 4.05Å; V291-A326 WeakPolarHBondContact CG1-O 3.33Å; V291-A326 HydrophobicContact CG2-CB 4.22Å
292	K	97.7	Very high	96.6	Very high	107 Å²	107	46 Å²	46	47%	0.465	24%	0.24	S	C	.	.	H	α-helix	trans	-63.4	-37.4	177.3	-68.6	173.2	-169.8	169.3	0	111.8	A288 E289 R295 K296	A288-K292 WeakPolarHBondContact O-CG 3.13Å; A288-K292 PolarHBondContact O-N 3.33Å; A288-K292 VanDerWaalsContact O-N 3.1Å; E289-K292 PolarHBondContact O-N 3.09Å; E289-K292 WeakPolarHBondContact OE1-CD 3.26Å; E289-K292 IonicContact OE1-NZ 3.29Å; E289-K292 PolarHBondContact OE1-NZ 3.03Å; K292-R295 PolarHBondContact O-N 3.21Å; K292-K296 WeakPolarHBondContact O-CB 3.29Å; K292-K296 PolarHBondContact O-N 2.89Å
293	A	96.6	Very high	96.5	Very high	37 Å²	37	53.1 Å²	53.1	31%	0.306	27%	0.274	S	S	.	.	H	α-helix	trans	-60.8	-46.3	176.3	0	0	0	0	0	111.4	V261 E289 G290 V291 K296 V297	V261-A293 HydrophobicContact CG2-CB 3.87Å; E289-A293 WeakPolarHBondContact O-CB 3.43Å; E289-A293 PolarHBondContact O-N 3.45Å; G290-A293 PolarHBondContact O-N 3.36Å; V291-A293 VanDerWaalsContact C-N 3.31Å; V291-A293 PolarHBondContact O-N 3.05Å; A293-K296 WeakPolarHBondContact O-CB 3.35Å; A293-K296 PolarHBondContact O-N 2.94Å; A293-V297 WeakPolarHBondContact O-CG2 3.25Å; A293-V297 PolarHBondContact O-N 3.2Å
294	I	97.1	Very high	96.4	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.026	28%	0.284	C	S	.	.	H	α-helix	trans	-60.5	-48.1	175.2	-66.6	176.8	0	0	0	111.1	V261 L269 A282 I285 G290 V291 K296 V297 L298 V307	V261-I294 HydrophobicContact CG2-CG1 3.5Å; L269-I294 HydrophobicContact CD1-CG2 4.09Å; L269-I294 HydrophobicContact CD2-CG2 4.06Å; A282-I294 HydrophobicContact CB-CD1 3.25Å; I285-I294 HydrophobicContact CD1-CD1 3.84Å; G290-I294 PolarHBondContact O-N 2.96Å; V291-I294 PolarHBondContact O-N 3.42Å; I294-K296 VanDerWaalsContact C-N 3.27Å; I294-K296 PolarHBondContact O-N 2.85Å; I294-V297 PolarHBondContact O-N 2.83Å; I294-V297 VanDerWaalsContact O-N 3.14Å; I294-L298 HydrophobicContact CG2-CD1 4.21Å; I294-L298 HydrophobicContact CG2-CG 4.5Å; I294-L298 WeakPolarHBondContact O-CG 3.49Å; I294-L298 PolarHBondContact O-N 2.89Å; I294-V307 HydrophobicContact CG2-CG1 4.15Å; I294-V307 HydrophobicContact CG2-CG2 4.17Å
295	R	97.7	Very high	96.6	Very high	82 Å²	82	54.5 Å²	54.5	31%	0.309	28%	0.28	S	S	.	.	H	α-helix	trans	-59.8	-37.7	177.6	-69.9	-173.2	-173.8	-70.8	2.4	112.6	V291 K292 L298 G299 V307 A326 D328	V291-R295 WeakPolarHBondContact O-CG 3.5Å; V291-R295 PolarHBondContact O-N 3.45Å; K292-R295 PolarHBondContact O-N 3.21Å; R295-L298 PolarHBondContact O-N 3.32Å; R295-G299 PolarHBondContact O-N 2.96Å; R295-V307 HydrophobicContact CG-CG2 4.07Å; R295-A326 PolarHBondContact NE-O 3.16Å; R295-A326 VanDerWaalsContact NE-O 3.17Å; R295-A326 PolarHBondContact NH2-O 3.3Å; R295-D328 IonicContact CZ-OD2 2.99Å; R295-D328 VanDerWaalsContact CZ-OD2 3.24Å; R295-D328 IonicContact NH1-OD2 2.7Å; R295-D328 PolarHBondContact NH1-OD2 3.18Å; R295-D328 IonicContact NH2-OD1 2.97Å; R295-D328 IonicContact NH2-OD2 3.67Å; R295-D328 PolarHBondContact NH2-OD2 3.34Å
296	K	97.2	Very high	96.7	Very high	181 Å²	181	56.7 Å²	56.7	79%	0.787	29%	0.29	S	S	*	.	H	α-helix	trans	-64	-40.6	176.5	-175.8	-179	178	-176.5	0	111.6	K292 A293 I294 G299	K292-K296 WeakPolarHBondContact O-CB 3.29Å; K292-K296 PolarHBondContact O-N 2.89Å; A293-K296 WeakPolarHBondContact O-CB 3.35Å; A293-K296 PolarHBondContact O-N 2.94Å; I294-K296 VanDerWaalsContact C-N 3.27Å; I294-K296 PolarHBondContact O-N 2.85Å; K296-G299 PolarHBondContact O-N 2.88Å
297	V	96.6	Very high	96.9	Very high	46 Å²	46	55 Å²	55	28%	0.279	28%	0.283	S	S	.	.	H	α-helix	trans	-67.1	-39.9	175.9	175	0	0	0	0	111.3	V261 I266 L269 A293 I294 G299	V261-V297 HydrophobicContact CG1-CG2 4.45Å; I266-V297 HydrophobicContact CB-CG1 4.41Å; I266-V297 HydrophobicContact CG1-CG1 4.29Å; I266-V297 HydrophobicContact CG1-CG2 4.17Å; I266-V297 HydrophobicContact CG2-CG1 4.09Å; L269-V297 HydrophobicContact CB-CG1 3.97Å; L269-V297 HydrophobicContact CD1-CB 3.97Å; L269-V297 HydrophobicContact CD1-CG1 3.71Å; A293-V297 WeakPolarHBondContact O-CG2 3.25Å; A293-V297 PolarHBondContact O-N 3.2Å; I294-V297 PolarHBondContact O-N 2.83Å; I294-V297 VanDerWaalsContact O-N 3.14Å; V297-G299 VanDerWaalsContact C-N 3.29Å; V297-G299 PolarHBondContact O-N 3.14Å
298	L	97.4	Very high	97	Very high	7 Å²	7	53.1 Å²	53.1	4%	0.037	27%	0.273	C	S	.	.	H	α-helix	trans	-62.6	-35.7	175.4	-71.2	176	0	0	0	112.8	L269 I273 I280 I294 R295 G302 I305 V307	L269-L298 HydrophobicContact CB-CD2 4.26Å; L269-L298 HydrophobicContact CD2-CD2 4.05Å; L269-L298 HydrophobicContact CD2-CG 4.47Å; I273-L298 HydrophobicContact CD1-CD2 4.24Å; I273-L298 WeakPolarHBondContact CD1-O 3.44Å; I273-L298 HydrophobicContact CG1-CD2 4.01Å; I280-L298 HydrophobicContact CG1-CD1 4.3Å; I280-L298 HydrophobicContact CG1-CD2 4.49Å; I294-L298 HydrophobicContact CG2-CD1 4.21Å; I294-L298 HydrophobicContact CG2-CG 4.5Å; I294-L298 WeakPolarHBondContact O-CG 3.49Å; I294-L298 PolarHBondContact O-N 2.89Å; R295-L298 PolarHBondContact O-N 3.32Å; L298-G302 PolarHBondContact O-N 3.07Å; L298-I305 HydrophobicContact CD1-CB 4.46Å; L298-I305 HydrophobicContact CD2-CD1 4.24Å; L298-V307 HydrophobicContact CD1-CG2 3.77Å
299	G	96.9	Very high	97	Very high	37 Å²	37	52.6 Å²	52.6	38%	0.381	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	-159.6	176.2	0	0	0	0	0	113.5	R295 K296 V297 A301 G302 Q303	R295-G299 PolarHBondContact O-N 2.96Å; K296-G299 PolarHBondContact O-N 2.88Å; V297-G299 VanDerWaalsContact C-N 3.29Å; V297-G299 PolarHBondContact O-N 3.14Å; G299-A301 VanDerWaalsContact C-N 3.35Å; G299-G302 PolarHBondContact O-N 3.06Å; G299-Q303 PolarHBondContact O-N 3.31Å
300	E	96.7	Very high	97.1	Very high	164 Å²	164	47.6 Å²	47.6	77%	0.766	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-36.2	180	-172.3	175.3	-177.4	0	0	112.4	G302 Q303	E300-G302 VanDerWaalsContact C-N 3.26Å; E300-G302 PolarHBondContact O-N 2.79Å; E300-Q303 WeakPolarHBondContact O-CB 3.14Å; E300-Q303 VanDerWaalsContact O-CG 3.27Å; E300-Q303 WeakPolarHBondContact O-CG 3.23Å; E300-Q303 PolarHBondContact O-N 3.3Å
301	A	95.4	Very high	97.2	Very high	66 Å²	66	47.6 Å²	47.6	55%	0.545	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-28.5	-179.8	0	0	0	0	0	113.3	I273 G299 H304	I273-A301 HydrophobicContact CG2-CB 3.77Å; G299-A301 VanDerWaalsContact C-N 3.35Å; A301-H304 PolarHBondContact O-CE1 3.25Å
302	G	96	Very high	97.2	Very high	2 Å²	2	47.7 Å²	47.7	2%	0.021	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	12.8	177.3	0	0	0	0	0	114.6	L298 G299 E300 H304 I305	L298-G302 PolarHBondContact O-N 3.07Å; G299-G302 PolarHBondContact O-N 3.06Å; E300-G302 VanDerWaalsContact C-N 3.26Å; E300-G302 PolarHBondContact O-N 2.79Å; G302-H304 PolarHBondContact O-N 3.21Å; G302-H304 VanDerWaalsContact O-N 3.11Å; G302-I305 WeakPolarHBondContact O-CB 3.47Å; G302-I305 WeakPolarHBondContact O-CG1 3.09Å; G302-I305 PolarHBondContact O-N 3.22Å
303	Q	95.5	Very high	97	Very high	150 Å²	150	43.4 Å²	43.4	70%	0.701	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.5	-172.1	70.5	179.3	-33.9	0	0	114.6	G299 E300	G299-Q303 PolarHBondContact O-N 3.31Å; E300-Q303 WeakPolarHBondContact O-CB 3.14Å; E300-Q303 VanDerWaalsContact O-CG 3.27Å; E300-Q303 WeakPolarHBondContact O-CG 3.23Å; E300-Q303 PolarHBondContact O-N 3.3Å
304	H	94.1	Very high	96.9	Very high	51 Å²	51	46.8 Å²	46.8	24%	0.236	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-22.1	178.4	58	-76.7	0	0	0	112.9	D276 A301 G302 H498	D276-H304 IonicContact OD1-NE2 2.81Å; A301-H304 PolarHBondContact O-CE1 3.25Å; G302-H304 PolarHBondContact O-N 3.21Å; G302-H304 VanDerWaalsContact O-N 3.11Å; H304-H498 HydrophobicContact CB-CB 4.38Å; H304-H498 AromaticContact CD2-CD2 3.16Å; H304-H498 PolarHBondContact CD2-CD2 2.85Å; H304-H498 AromaticContact CD2-CG 3.61Å; H304-H498 AromaticContact CD2-NE2 3.75Å; H304-H498 AromaticContact NE2-CD2 3.47Å; H304-H498 PolarHBondContact NE2-CD2 3.01Å; H304-H498 AromaticContact NE2-NE2 3.62Å
305	I	98.1	Very high	96.8	Very high	2 Å²	2	49 Å²	49	1%	0.01	25%	0.247	C	C	.	.	S	Bend	trans	-69.4	128.7	-175.4	-53.6	-175.7	0	0	0	109.6	I273 V277 D278 I280 L298 G302	I273-I305 HydrophobicContact CG1-CD1 4.29Å; V277-I305 WeakPolarHBondContact O-CG1 3.32Å; D278-I305 WeakPolarHBondContact O-CA 3.38Å; I280-I305 HydrophobicContact CD1-CG2 4.15Å; I280-I305 HydrophobicContact CG1-CG2 3.72Å; L298-I305 HydrophobicContact CD1-CB 4.46Å; L298-I305 HydrophobicContact CD2-CD1 4.24Å; G302-I305 WeakPolarHBondContact O-CB 3.47Å; G302-I305 WeakPolarHBondContact O-CG1 3.09Å; G302-I305 PolarHBondContact O-N 3.22Å
306	K	98.6	Very high	96.8	Very high	48 Å²	48	45.1 Å²	45.1	21%	0.209	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	131.8	178.1	-56.9	-50.9	-179.7	-166.2	0	110.6	D278 I279 I280 D328 L505	D278-K306 PolarHBondContact O-N 2.88Å; I279-K306 CarbonylContact C-O 3.49Å; I279-K306 WeakPolarHBondContact CA-O 3.38Å; I279-K306 HydrophobicContact CG1-CB 4.29Å; I279-K306 HydrophobicContact CG2-CB 4.33Å; I280-K306 PolarHBondContact N-O 3.1Å; K306-D328 HydrophobicContact CB-CB 4.01Å; K306-D328 HydrophobicContact CD-CB 4.13Å; K306-L505 HydrophobicContact CB-CD1 4.16Å; K306-L505 HydrophobicContact CG-CD1 4.23Å
307	V	98.6	Very high	96.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	107.4	173.8	-177.2	0	0	0	0	109.1	A282 V291 I294 R295 L298 D328 G329	A282-V307 HydrophobicContact CB-CG1 4.38Å; V291-V307 HydrophobicContact CG1-CG1 4.11Å; I294-V307 HydrophobicContact CG2-CG1 4.15Å; I294-V307 HydrophobicContact CG2-CG2 4.17Å; R295-V307 HydrophobicContact CG-CG2 4.07Å; L298-V307 HydrophobicContact CD1-CG2 3.77Å; V307-D328 PolarHBondContact N-OD2 3.12Å; V307-D328 WeakPolarHBondContact O-CB 3.45Å; V307-D328 PolarHBondContact O-N 2.83Å; V307-G329 PolarHBondContact O-N 3.47Å
308	V	98.8	Very high	96.8	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	118.2	173.3	175.2	0	0	0	0	108.2	I279 I280 F281 A282 G329 I330 M331 I365 L505	I279-V308 HydrophobicContact CG2-CG2 3.8Å; I280-V308 PolarHBondContact O-N 3.3Å; F281-V308 WeakPolarHBondContact CA-O 3.47Å; F281-V308 HydrophobicContact CD1-CB 3.82Å; F281-V308 HydrophobicContact CD1-CG1 4.17Å; F281-V308 HydrophobicContact CD1-CG2 4.23Å; F281-V308 HydrophobicContact CE1-CB 4.25Å; F281-V308 HydrophobicContact CE1-CG1 4.48Å; F281-V308 HydrophobicContact CE1-CG2 4.21Å; A282-V308 PolarHBondContact N-O 3.25Å; V308-G329 VanDerWaalsContact CA-O 3.32Å; V308-G329 WeakPolarHBondContact CA-O 3.25Å; V308-I330 VanDerWaalsContact CG1-C 3.45Å; V308-M331 HydrophobicContact CG1-CB 4.02Å; V308-I365 HydrophobicContact CG1-CD1 4.05Å; V308-L505 HydrophobicContact CG2-CD1 4.3Å; V308-L505 HydrophobicContact CG2-CD2 4.39Å
309	S	98.7	Very high	96.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	127.4	-179.4	-63.1	0	0	0	0	110.8	V291 S327 G329 I330 M331	V291-S309 WeakPolarHBondContact CG2-OG 3.47Å; S309-S327 WeakPolarHBondContact CB-OG 3.48Å; S309-S327 PolarHBondContact OG-OG 3.42Å; S309-G329 PolarHBondContact N-O 2.95Å; S309-I330 CarbonylContact O-C 3.51Å; S309-I330 WeakPolarHBondContact O-CA 3.23Å; S309-M331 PolarHBondContact O-N 2.85Å
310	K	98.7	Very high	96.9	Very high	13 Å²	13	40.7 Å²	40.7	6%	0.057	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	119.6	175.4	-55.7	165.9	74.9	-141.4	0	108.2	D153 F281 A282 S283 I285 E312 M331 A333	D153-K310 WeakPolarHBondContact OD1-CD 3.42Å; D153-K310 WeakPolarHBondContact OD1-CE 3.41Å; D153-K310 IonicContact OD1-NZ 3.07Å; D153-K310 PolarHBondContact OD1-NZ 2.99Å; D153-K310 VanDerWaalsContact OD2-CE 3.27Å; D153-K310 WeakPolarHBondContact OD2-CE 3.38Å; D153-K310 IonicContact OD2-NZ 2.82Å; F281-K310 HydrophobicContact CB-CD 3.87Å; F281-K310 HydrophobicContact CB-CG 4.18Å; A282-K310 VanDerWaalsContact O-CB 3.26Å; A282-K310 WeakPolarHBondContact O-CB 3.37Å; A282-K310 WeakPolarHBondContact O-CG 3.16Å; A282-K310 PolarHBondContact O-N 2.89Å; S283-K310 WeakPolarHBondContact OG-CD 3.47Å; S283-K310 PolarHBondContact OG-NZ 3.35Å; I285-K310 PolarHBondContact N-O 3.45Å; K310-E312 HydrophobicContact CB-CG 3.97Å; K310-E312 WeakPolarHBondContact CB-OE1 3.45Å; K310-E312 WeakPolarHBondContact CE-OE1 3.46Å; K310-E312 IonicContact NZ-OE1 2.82Å; K310-E312 PolarHBondContact NZ-OE1 3.06Å; K310-E312 IonicContact NZ-OE2 2.93Å; K310-M331 WeakPolarHBondContact CA-O 3.4Å; K310-M331 HydrophobicContact CB-CB 4.47Å; K310-M331 HydrophobicContact CD-SD 4.37Å; K310-M331 HydrophobicContact CG-CB 4.04Å; K310-M331 HydrophobicContact CG-CG 4.46Å; K310-M331 HydrophobicContact CG-SD 3.99Å; K310-A333 HydrophobicContact CB-CB 4.27Å
311	I	98.2	Very high	97	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	106	175	-55.8	-60.4	0	0	0	107.7	V317 I323 I330 M331 A333 I353	I311-V317 HydrophobicContact CG2-CG2 3.75Å; I311-I323 HydrophobicContact CD1-CB 4.4Å; I311-I323 HydrophobicContact CD1-CD1 3.72Å; I311-I323 HydrophobicContact CD1-CG2 3.9Å; I311-I330 HydrophobicContact CG1-CG2 3.71Å; I311-M331 PolarHBondContact N-O 2.77Å; I311-A333 PolarHBondContact O-N 3.05Å; I311-I353 HydrophobicContact CB-CD1 4.06Å; I311-I353 HydrophobicContact CG1-CD1 4.37Å; I311-I353 HydrophobicContact CG2-CD1 3.69Å
312	E	96.3	Very high	97.1	Very high	2 Å²	2	38 Å²	38	1%	0.009	20%	0.2	C	C	.	.			trans	-128.3	-3.8	-165.7	-73	174.5	159.4	0	0	113	S283 F284 K310 A333 D336 L337 E340	S283-E312 WeakPolarHBondContact CA-OE2 3.47Å; F284-E312 HydrophobicContact CD1-CB 4.08Å; F284-E312 HydrophobicContact CE1-CB 4.23Å; F284-E312 PolarHBondContact N-OE2 2.71Å; K310-E312 HydrophobicContact CB-CG 3.97Å; K310-E312 WeakPolarHBondContact CB-OE1 3.45Å; K310-E312 WeakPolarHBondContact CE-OE1 3.46Å; K310-E312 IonicContact NZ-OE1 2.82Å; K310-E312 PolarHBondContact NZ-OE1 3.06Å; K310-E312 IonicContact NZ-OE2 2.93Å; E312-A333 HydrophobicContact CG-CB 3.34Å; E312-A333 WeakPolarHBondContact OE1-CB 3.42Å; E312-D336 HydrophobicContact CB-CB 3.9Å; E312-D336 HydrophobicContact CG-CB 4.22Å; E312-D336 CarbonylContact O-C 3.44Å; E312-L337 VanDerWaalsContact O-CA 3.28Å; E312-L337 WeakPolarHBondContact O-CA 3.48Å; E312-L337 PolarHBondContact O-N 3.21Å; E312-E340 WeakPolarHBondContact O-CG 3.5Å
313	N	94.4	Very high	97.3	Very high	16 Å²	16	38 Å²	38	9%	0.086	20%	0.199	C	C	.	.	S	Bend	trans	-145.6	172.7	-179	65.3	22	0	0	0	112.8	R286 E315 G316 V317 E340	R286-N313 WeakPolarHBondContact CG-ND2 3.43Å; N313-E315 PolarHBondContact O-N 2.88Å; N313-E315 PolarHBondContact OD1-N 2.77Å; N313-G316 PolarHBondContact O-N 2.84Å; N313-G316 PolarHBondContact OD1-N 2.96Å; N313-V317 WeakPolarHBondContact O-CG2 3.36Å; N313-V317 PolarHBondContact O-N 2.81Å; N313-V317 VanDerWaalsContact O-N 3.14Å; N313-E340 HydrophobicContact CB-CB 4.05Å; N313-E340 HydrophobicContact CB-CG 3.86Å
314	Q	94.7	Very high	97.4	Very high	108 Å²	108	31.2 Å²	31.2	51%	0.505	17%	0.167	S	C	.	.	H	α-helix	trans	-62.1	-39	-177.5	-173.3	172.4	-5.5	0	0	113.2	V317 A318 I341	Q314-V317 PolarHBondContact O-N 2.84Å; Q314-A318 PolarHBondContact O-N 2.8Å; Q314-I341 HydrophobicContact CB-CG2 3.89Å; Q314-I341 HydrophobicContact CG-CG2 4.29Å
315	E	95	Very high	97.6	Very high	52 Å²	52	36.2 Å²	36.2	24%	0.243	19%	0.191	C	C	.	.	H	α-helix	trans	-63.5	-45.3	178.8	-167.6	-175.7	161.7	0	0	111	R286 N313 V317 A318 N319	R286-E315 HydrophobicContact CB-CB 4.38Å; R286-E315 HydrophobicContact CB-CG 4.11Å; R286-E315 VanDerWaalsContact CD-OE2 3.31Å; R286-E315 WeakPolarHBondContact CD-OE2 3.43Å; R286-E315 HydrophobicContact CG-CB 4.36Å; R286-E315 IonicContact CZ-OE2 3.24Å; R286-E315 IonicContact NH1-OE1 2.81Å; R286-E315 IonicContact NH1-OE2 2.77Å; R286-E315 PolarHBondContact NH1-OE2 2.73Å; N313-E315 PolarHBondContact O-N 2.88Å; N313-E315 PolarHBondContact OD1-N 2.77Å; E315-V317 VanDerWaalsContact C-N 3.31Å; E315-V317 PolarHBondContact O-N 2.87Å; E315-A318 PolarHBondContact O-N 2.66Å; E315-A318 VanDerWaalsContact O-N 3.15Å; E315-N319 WeakPolarHBondContact O-CB 3.42Å; E315-N319 PolarHBondContact O-N 3.39Å
316	G	96.5	Very high	97.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.1	-36.1	176	0	0	0	0	0	113	N313 A320	N313-G316 PolarHBondContact O-N 2.84Å; N313-G316 PolarHBondContact OD1-N 2.96Å; G316-A320 WeakPolarHBondContact O-CA 3.47Å; G316-A320 PolarHBondContact O-N 2.88Å; G316-A320 VanDerWaalsContact O-N 3.1Å
317	V	97.6	Very high	97.7	Very high	45 Å²	45	35 Å²	35	27%	0.273	19%	0.19	S	C	.	.	H	α-helix	trans	-65.9	-43.8	173	175.4	0	0	0	0	111.2	I311 N313 Q314 E315 N319 A320 L337 A349 I353	I311-V317 HydrophobicContact CG2-CG2 3.75Å; N313-V317 WeakPolarHBondContact O-CG2 3.36Å; N313-V317 PolarHBondContact O-N 2.81Å; N313-V317 VanDerWaalsContact O-N 3.14Å; Q314-V317 PolarHBondContact O-N 2.84Å; E315-V317 VanDerWaalsContact C-N 3.31Å; E315-V317 PolarHBondContact O-N 2.87Å; V317-N319 VanDerWaalsContact C-N 3.35Å; V317-A320 WeakPolarHBondContact O-CB 3.27Å; V317-A320 PolarHBondContact O-N 3.22Å; V317-L337 HydrophobicContact CG2-CD1 3.73Å; V317-A349 HydrophobicContact CG1-CB 4.35Å; V317-A349 HydrophobicContact CG2-CB 4.2Å; V317-I353 HydrophobicContact CG2-CD1 4.4Å
318	A	97.2	Very high	97.7	Very high	80 Å²	80	37.3 Å²	37.3	66%	0.661	20%	0.202	S	C	*	.	H	α-helix	trans	-64.9	-38.5	179.5	0	0	0	0	0	112.3	Q314 E315	Q314-A318 PolarHBondContact O-N 2.8Å; E315-A318 PolarHBondContact O-N 2.66Å; E315-A318 VanDerWaalsContact O-N 3.15Å
319	N	97.6	Very high	97.7	Very high	51 Å²	51	37.2 Å²	37.2	27%	0.273	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	16.1	-178.5	-63.9	-25.6	0	0	0	113.2	R286 E315 V317 D321 E322 I323	R286-N319 WeakPolarHBondContact O-CB 3.25Å; R286-N319 PolarHBondContact O-ND2 3.34Å; E315-N319 WeakPolarHBondContact O-CB 3.42Å; E315-N319 PolarHBondContact O-N 3.39Å; V317-N319 VanDerWaalsContact C-N 3.35Å; N319-D321 PolarHBondContact O-N 3.33Å; N319-D321 VanDerWaalsContact O-N 3.09Å; N319-E322 HydrophobicContact CB-CG 3.96Å; N319-E322 WeakPolarHBondContact O-CG 3.37Å; N319-E322 PolarHBondContact O-N 3.35Å; N319-I323 HydrophobicContact CB-CD1 4.01Å; N319-I323 HydrophobicContact CB-CG1 4.41Å; N319-I323 WeakPolarHBondContact O-CG1 3.46Å; N319-I323 PolarHBondContact O-N 3.45Å; N319-I323 VanDerWaalsContact O-N 3.14Å
320	A	98.3	Very high	97.7	Very high	3 Å²	3	37.3 Å²	37.3	3%	0.025	20%	0.202	C	C	.	.	H	α-helix	trans	-54.5	-37.2	-171.5	0	0	0	0	0	113.4	G316 V317 I323 I324 I353 K356	G316-A320 WeakPolarHBondContact O-CA 3.47Å; G316-A320 PolarHBondContact O-N 2.88Å; G316-A320 VanDerWaalsContact O-N 3.1Å; V317-A320 WeakPolarHBondContact O-CB 3.27Å; V317-A320 PolarHBondContact O-N 3.22Å; A320-I323 PolarHBondContact O-N 3.38Å; A320-I324 VanDerWaalsContact O-CB 3.27Å; A320-I324 WeakPolarHBondContact O-CB 3.34Å; A320-I324 WeakPolarHBondContact O-CD1 3.26Å; A320-I324 WeakPolarHBondContact O-CG1 3.46Å; A320-I324 PolarHBondContact O-N 3.13Å; A320-I353 HydrophobicContact CB-CG1 4.44Å; A320-K356 HydrophobicContact CB-CD 4.5Å
321	D	98.6	Very high	97.7	Very high	95 Å²	95	36.7 Å²	36.7	51%	0.508	20%	0.199	S	C	.	.	H	α-helix	trans	-65	-45.2	-177.5	-70.3	-33.4	0	0	0	112.9	N319 Q325 K356	N319-D321 PolarHBondContact O-N 3.33Å; N319-D321 VanDerWaalsContact O-N 3.09Å; D321-Q325 PolarHBondContact O-N 2.95Å; D321-K356 VanDerWaalsContact OD1-CD 3.29Å; D321-K356 WeakPolarHBondContact OD1-CD 3.39Å; D321-K356 WeakPolarHBondContact OD1-CE 3.42Å; D321-K356 IonicContact OD1-NZ 2.79Å; D321-K356 PolarHBondContact OD1-NZ 3.24Å; D321-K356 IonicContact OD2-NZ 3.82Å; D321-K356 PolarHBondContact OD2-NZ 2.83Å
322	E	98.5	Very high	97.7	Very high	79 Å²	79	36.6 Å²	36.6	37%	0.369	20%	0.199	S	C	.	.	H	α-helix	trans	-72.7	-34.8	178.1	58.7	159.8	-132.4	0	0	112.1	N287 A288 N319 Q325 A326	N287-E322 WeakPolarHBondContact CA-OE1 3.26Å; N287-E322 WeakPolarHBondContact CB-OE1 3.36Å; A288-E322 HydrophobicContact CB-CB 4.14Å; A288-E322 HydrophobicContact CB-CG 4.33Å; A288-E322 PolarHBondContact N-OE1 2.8Å; N319-E322 HydrophobicContact CB-CG 3.96Å; N319-E322 WeakPolarHBondContact O-CG 3.37Å; N319-E322 PolarHBondContact O-N 3.35Å; E322-Q325 PolarHBondContact O-N 2.91Å; E322-A326 PolarHBondContact O-N 3.5Å
323	I	98.7	Very high	97.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.9	-46.6	174.7	-63.5	163.7	0	0	0	109.4	I285 V291 I311 N319 A320 Q325 A326 S327 I330	I285-I323 HydrophobicContact CG2-CB 4.47Å; I285-I323 HydrophobicContact CG2-CD1 4.13Å; I285-I323 HydrophobicContact CG2-CG1 4.04Å; I285-I323 HydrophobicContact CG2-CG2 3.59Å; V291-I323 HydrophobicContact CG2-CG2 4.2Å; I311-I323 HydrophobicContact CD1-CB 4.4Å; I311-I323 HydrophobicContact CD1-CD1 3.72Å; I311-I323 HydrophobicContact CD1-CG2 3.9Å; N319-I323 HydrophobicContact CB-CD1 4.01Å; N319-I323 HydrophobicContact CB-CG1 4.41Å; N319-I323 WeakPolarHBondContact O-CG1 3.46Å; N319-I323 PolarHBondContact O-N 3.45Å; N319-I323 VanDerWaalsContact O-N 3.14Å; A320-I323 PolarHBondContact O-N 3.38Å; I323-Q325 VanDerWaalsContact C-N 3.27Å; I323-Q325 PolarHBondContact O-N 3.05Å; I323-A326 PolarHBondContact O-N 3.37Å; I323-S327 VanDerWaalsContact O-CB 3.27Å; I323-S327 WeakPolarHBondContact O-CB 3.38Å; I323-S327 PolarHBondContact O-N 3.43Å; I323-S327 PolarHBondContact O-OG 2.84Å; I323-I330 HydrophobicContact CG2-CD1 3.86Å
324	I	98.8	Very high	97.9	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.041	20%	0.201	C	C	.	.	H	α-helix	trans	-54.8	-46.6	173.9	-75	164	0	0	0	109.3	A320 A326 S327 I330 K356 A360 K362	A320-I324 VanDerWaalsContact O-CB 3.27Å; A320-I324 WeakPolarHBondContact O-CB 3.34Å; A320-I324 WeakPolarHBondContact O-CD1 3.26Å; A320-I324 WeakPolarHBondContact O-CG1 3.46Å; A320-I324 PolarHBondContact O-N 3.13Å; I324-A326 PolarHBondContact O-N 3.44Å; I324-S327 PolarHBondContact O-N 3.27Å; I324-I330 HydrophobicContact CG1-CD1 3.92Å; I324-I330 HydrophobicContact CG1-CG1 3.59Å; I324-K356 HydrophobicContact CD1-CB 3.53Å; I324-K356 HydrophobicContact CD1-CD 4.47Å; I324-A360 HydrophobicContact CG2-CB 3.53Å; I324-K362 HydrophobicContact CG2-CD 4.15Å; I324-K362 WeakPolarHBondContact O-CD 3.47Å; I324-K362 WeakPolarHBondContact O-CE 3.45Å; I324-K362 PolarHBondContact O-NZ 3.12Å
325	Q	98.4	Very high	97.9	Very high	157 Å²	157	33.3 Å²	33.3	73%	0.734	19%	0.189	S	C	*	.	H	α-helix	trans	-60.9	-40.5	-180	-171.2	176.6	9.3	0	0	113.1	D321 E322 I323 K362	D321-Q325 PolarHBondContact O-N 2.95Å; E322-Q325 PolarHBondContact O-N 2.91Å; I323-Q325 VanDerWaalsContact C-N 3.27Å; I323-Q325 PolarHBondContact O-N 3.05Å; Q325-K362 VanDerWaalsContact C-NZ 3.32Å; Q325-K362 PolarHBondContact O-NZ 2.95Å
326	A	98.5	Very high	97.8	Very high	22 Å²	22	32.9 Å²	32.9	18%	0.182	19%	0.188	C	C	.	.	H	α-helix	trans	-80.5	-24.7	-178.8	0	0	0	0	0	114.7	A288 V291 R295 E322 I323 I324	A288-A326 HydrophobicContact CB-CB 4.02Å; V291-A326 HydrophobicContact CB-CB 3.9Å; V291-A326 HydrophobicContact CG1-CB 4.05Å; V291-A326 WeakPolarHBondContact CG1-O 3.33Å; V291-A326 HydrophobicContact CG2-CB 4.22Å; R295-A326 PolarHBondContact NE-O 3.16Å; R295-A326 VanDerWaalsContact NE-O 3.17Å; R295-A326 PolarHBondContact NH2-O 3.3Å; E322-A326 PolarHBondContact O-N 3.5Å; I323-A326 PolarHBondContact O-N 3.37Å; I324-A326 PolarHBondContact O-N 3.44Å
327	S	98.7	Very high	97.8	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.007	19%	0.188	C	C	.	.	S	Bend	trans	-87.6	160	-174.2	-50.9	0	0	0	0	112.9	S309 I323 I324 G329 K362	S309-S327 WeakPolarHBondContact CB-OG 3.48Å; S309-S327 PolarHBondContact OG-OG 3.42Å; I323-S327 VanDerWaalsContact O-CB 3.27Å; I323-S327 WeakPolarHBondContact O-CB 3.38Å; I323-S327 PolarHBondContact O-N 3.43Å; I323-S327 PolarHBondContact O-OG 2.84Å; I324-S327 PolarHBondContact O-N 3.27Å; S327-G329 WeakPolarHBondContact CB-O 3.31Å; S327-K362 WeakPolarHBondContact O-CD 3.41Å; S327-K362 WeakPolarHBondContact O-CE 3.41Å; S327-K362 PolarHBondContact O-NZ 2.63Å
328	D	98.6	Very high	97.7	Very high	49 Å²	49	31.7 Å²	31.7	26%	0.262	19%	0.185	S	C	.	.	S	Bend	trans	-80.7	-26.1	167.3	-68.6	-66	0	0	0	111.8	R295 K306 V307 P363	R295-D328 IonicContact CZ-OD2 2.99Å; R295-D328 VanDerWaalsContact CZ-OD2 3.24Å; R295-D328 IonicContact NH1-OD2 2.7Å; R295-D328 PolarHBondContact NH1-OD2 3.18Å; R295-D328 IonicContact NH2-OD1 2.97Å; R295-D328 IonicContact NH2-OD2 3.67Å; R295-D328 PolarHBondContact NH2-OD2 3.34Å; K306-D328 HydrophobicContact CB-CB 4.01Å; K306-D328 HydrophobicContact CD-CB 4.13Å; V307-D328 PolarHBondContact N-OD2 3.12Å; V307-D328 WeakPolarHBondContact O-CB 3.45Å; V307-D328 PolarHBondContact O-N 2.83Å; D328-P363 WeakPolarHBondContact O-CD 3.4Å; D328-P363 WeakPolarHBondContact O-CG 3.43Å
329	G	98.8	Very high	97.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	179.5	176.3	0	0	0	0	0	111.2	V307 V308 S309 S327 P363	V307-G329 PolarHBondContact O-N 3.47Å; V308-G329 VanDerWaalsContact CA-O 3.32Å; V308-G329 WeakPolarHBondContact CA-O 3.25Å; S309-G329 PolarHBondContact N-O 2.95Å; S327-G329 WeakPolarHBondContact CB-O 3.31Å; G329-P363 CarbonylContact C-O 3.59Å; G329-P363 WeakPolarHBondContact CA-O 3.32Å
330	I	98.9	Very high	97.5	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	147.1	177.6	-61.4	-62	0	0	0	110.5	V308 S309 I311 I323 I324 I353 C357 P363 V364 I365	V308-I330 VanDerWaalsContact CG1-C 3.45Å; S309-I330 CarbonylContact O-C 3.51Å; S309-I330 WeakPolarHBondContact O-CA 3.23Å; I311-I330 HydrophobicContact CG1-CG2 3.71Å; I323-I330 HydrophobicContact CG2-CD1 3.86Å; I324-I330 HydrophobicContact CG1-CD1 3.92Å; I324-I330 HydrophobicContact CG1-CG1 3.59Å; I330-I353 HydrophobicContact CB-CG2 4.44Å; I330-I353 HydrophobicContact CG2-CG2 3.58Å; I330-C357 VanDerWaalsContact CG1-SG 3.54Å; I330-P363 PolarHBondContact N-O 3.25Å; I330-V364 HydrophobicContact CB-CG2 4.31Å; I330-V364 HydrophobicContact CG2-CG2 4.47Å; I330-V364 CarbonylContact O-C 3.49Å; I330-V364 VanDerWaalsContact O-CA 3.24Å; I330-V364 WeakPolarHBondContact O-CA 3.42Å; I330-I365 PolarHBondContact O-N 3.04Å
331	M	98.9	Very high	97.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.7	163.7	-179.1	-177.7	-63.3	0	0	109	F281 V308 S309 K310 I311 A333 I365 A367 M400	F281-M331 HydrophobicContact CB-CE 4.21Å; F281-M331 HydrophobicContact CD1-CE 3.97Å; F281-M331 HydrophobicContact CD2-CE 3.43Å; F281-M331 VanDerWaalsContact CD2-CE 3.43Å; F281-M331 HydrophobicContact CE1-CE 4.08Å; F281-M331 HydrophobicContact CE2-CE 3.6Å; F281-M331 HydrophobicContact CG-CE 3.63Å; F281-M331 HydrophobicContact CZ-CE 3.93Å; V308-M331 HydrophobicContact CG1-CB 4.02Å; S309-M331 PolarHBondContact O-N 2.85Å; K310-M331 WeakPolarHBondContact CA-O 3.4Å; K310-M331 HydrophobicContact CB-CB 4.47Å; K310-M331 HydrophobicContact CD-SD 4.37Å; K310-M331 HydrophobicContact CG-CB 4.04Å; K310-M331 HydrophobicContact CG-CG 4.46Å; K310-M331 HydrophobicContact CG-SD 3.99Å; I311-M331 PolarHBondContact N-O 2.77Å; M331-A333 HydrophobicContact CG-CB 4.31Å; M331-A333 PolarHBondContact O-N 2.86Å; M331-A333 HydrophobicContact SD-CB 4.37Å; M331-I365 WeakPolarHBondContact CA-O 3.34Å; M331-I365 HydrophobicContact CB-CB 4.17Å; M331-I365 HydrophobicContact CE-CB 4.47Å; M331-I365 HydrophobicContact CE-CD1 3.89Å; M331-I365 HydrophobicContact CE-CG2 4.15Å; M331-I365 HydrophobicContact CG-CB 4.08Å; M331-I365 HydrophobicContact CG-CG2 4.13Å; M331-A367 HydrophobicContact CG-CB 3.65Å; M331-A367 HydrophobicContact SD-CB 3.68Å; M331-M400 HydrophobicContact CE-CE 4.19Å; M331-M400 HydrophobicContact CE-SD 3.56Å; M331-M400 VanDerWaalsContact CE-SD 3.56Å; M331-M400 HydrophobicContact SD-CE 3.88Å; M331-M400 HydrophobicContact SD-SD 4.04Å
332	V	98.8	Very high	97.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	95.4	166.6	-173.3	0	0	0	0	106.8	R334 L337 Q350 I353 V364 I365 A367	V332-R334 HydrophobicContact CG1-CG 3.92Å; V332-R334 PolarHBondContact O-N 2.97Å; V332-L337 HydrophobicContact CG1-CD2 4.25Å; V332-Q350 HydrophobicContact CG1-CB 4.02Å; V332-Q350 HydrophobicContact CG1-CG 4.28Å; V332-I353 HydrophobicContact CG2-CB 4.06Å; V332-I353 HydrophobicContact CG2-CD1 4.44Å; V332-I353 HydrophobicContact CG2-CG2 3.76Å; V332-V364 HydrophobicContact CG2-CG2 4.19Å; V332-I365 PolarHBondContact N-O 3.4Å; V332-A367 PolarHBondContact O-N 2.95Å
333	A	97.8	Very high	97	Very high	2 Å²	2	27 Å²	27	2%	0.017	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	91	-176.7	0	0	0	0	0	109.7	K310 I311 E312 M331 G335 L337	K310-A333 HydrophobicContact CB-CB 4.27Å; I311-A333 PolarHBondContact O-N 3.05Å; E312-A333 HydrophobicContact CG-CB 3.34Å; E312-A333 WeakPolarHBondContact OE1-CB 3.42Å; M331-A333 HydrophobicContact CG-CB 4.31Å; M331-A333 PolarHBondContact O-N 2.86Å; M331-A333 HydrophobicContact SD-CB 4.37Å; A333-G335 VanDerWaalsContact C-N 3.31Å; A333-G335 PolarHBondContact O-N 2.74Å; A333-L337 WeakPolarHBondContact O-CB 3.1Å; A333-L337 PolarHBondContact O-N 2.96Å
334	R	97.8	Very high	96.9	Very high	30 Å²	30	32.9 Å²	32.9	11%	0.113	19%	0.186	C	C	.	.	H	α-helix	trans	-72.6	-19.7	-164.8	-55.8	177.4	-56	169	8.4	114.3	V332 G338 V346 A367 T368 M370 D387	V332-R334 HydrophobicContact CG1-CG 3.92Å; V332-R334 PolarHBondContact O-N 2.97Å; R334-G338 WeakPolarHBondContact O-CA 3.08Å; R334-G338 PolarHBondContact O-N 2.92Å; R334-V346 HydrophobicContact CB-CG1 4.07Å; R334-V346 HydrophobicContact CG-CG1 4.07Å; R334-A367 WeakPolarHBondContact CG-O 3.48Å; R334-A367 PolarHBondContact NE-O 3.32Å; R334-T368 WeakPolarHBondContact CA-OG1 3.29Å; R334-T368 WeakPolarHBondContact CB-OG1 3.45Å; R334-T368 PolarHBondContact N-OG1 3.46Å; R334-T368 VanDerWaalsContact N-OG1 3.11Å; R334-T368 PolarHBondContact NH2-O 3.02Å; R334-M370 VanDerWaalsContact NH2-CG 3.34Å; R334-D387 IonicContact CZ-OD1 3.23Å; R334-D387 IonicContact CZ-OD2 3.6Å; R334-D387 VanDerWaalsContact CZ-OD2 3.29Å; R334-D387 IonicContact NH1-OD1 3.77Å; R334-D387 PolarHBondContact NH1-OD1 2.81Å; R334-D387 IonicContact NH1-OD2 2.57Å; R334-D387 PolarHBondContact NH1-OD2 3.31Å; R334-D387 IonicContact NH2-OD1 3.76Å; R334-D387 IonicContact NH2-OD2 2.87Å; R334-D387 PolarHBondContact NH2-OD2 3.43Å
335	G	93	Very high	96.9	Very high	25 Å²	25	37.9 Å²	37.9	26%	0.258	21%	0.207	S	C	.	.	H	α-helix	trans	-58.4	-74.4	175.6	0	0	0	0	0	110.9	A333 L337 G338 T368	A333-G335 VanDerWaalsContact C-N 3.31Å; A333-G335 PolarHBondContact O-N 2.74Å; G335-L337 VanDerWaalsContact C-N 3.3Å; G335-L337 PolarHBondContact O-N 3.12Å; G335-G338 PolarHBondContact O-N 3.42Å; G335-T368 PolarHBondContact N-OG1 2.85Å
336	D	94.3	Very high	96.9	Very high	43 Å²	43	31.2 Å²	31.2	23%	0.23	18%	0.177	C	C	.	.	H	α-helix	trans	-59.4	-40	176.6	-67.8	-77.3	0	0	0	112.4	F284 E312 G338 I339 E340	F284-D336 HydrophobicContact CE1-CB 4.13Å; F284-D336 HydrophobicContact CZ-CB 4.16Å; F284-D336 WeakPolarHBondContact CZ-OD1 3.44Å; E312-D336 HydrophobicContact CB-CB 3.9Å; E312-D336 HydrophobicContact CG-CB 4.22Å; E312-D336 CarbonylContact O-C 3.44Å; D336-G338 VanDerWaalsContact C-N 3.28Å; D336-G338 PolarHBondContact O-N 3.42Å; D336-I339 WeakPolarHBondContact O-CB 3.5Å; D336-I339 PolarHBondContact O-N 2.99Å; D336-E340 WeakPolarHBondContact O-CG 3.46Å; D336-E340 PolarHBondContact O-N 3.29Å
337	L	96.6	Very high	96.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.4	-38.3	179	-174	62.1	0	0	0	112.2	E312 V317 V332 A333 G335 I339 E340 I341 A349	E312-L337 VanDerWaalsContact O-CA 3.28Å; E312-L337 WeakPolarHBondContact O-CA 3.48Å; E312-L337 PolarHBondContact O-N 3.21Å; V317-L337 HydrophobicContact CG2-CD1 3.73Å; V332-L337 HydrophobicContact CG1-CD2 4.25Å; A333-L337 WeakPolarHBondContact O-CB 3.1Å; A333-L337 PolarHBondContact O-N 2.96Å; G335-L337 VanDerWaalsContact C-N 3.3Å; G335-L337 PolarHBondContact O-N 3.12Å; L337-I339 PolarHBondContact O-N 3.19Å; L337-E340 PolarHBondContact O-N 3.14Å; L337-I341 HydrophobicContact CD1-CD1 3.99Å; L337-I341 HydrophobicContact CD1-CG1 3.88Å; L337-I341 HydrophobicContact CD1-CG2 4.4Å; L337-I341 HydrophobicContact CG-CD1 4.05Å; L337-I341 HydrophobicContact CG-CG1 3.99Å; L337-I341 WeakPolarHBondContact O-CG1 3.36Å; L337-I341 PolarHBondContact O-N 2.99Å; L337-A349 HydrophobicContact CD2-CB 4.12Å
338	G	95.8	Very high	96.9	Very high	20 Å²	20	40.5 Å²	40.5	21%	0.206	22%	0.217	C	C	.	.	H	α-helix	trans	-71.2	-9.7	177.6	0	0	0	0	0	114.8	R334 G335 D336 I341	R334-G338 WeakPolarHBondContact O-CA 3.08Å; R334-G338 PolarHBondContact O-N 2.92Å; G335-G338 PolarHBondContact O-N 3.42Å; D336-G338 VanDerWaalsContact C-N 3.28Å; D336-G338 PolarHBondContact O-N 3.42Å; G338-I341 CarbonylContact C-O 3.48Å
339	I	94.9	Very high	96.9	Very high	24 Å²	24	38.5 Å²	38.5	12%	0.123	21%	0.207	C	C	.	.	H	α-helix	trans	-95.7	-43.5	171.4	-53.8	165	0	0	0	109.5	F215 N250 P252 D336 L337	F215-I339 HydrophobicContact CB-CG2 3.67Å; F215-I339 HydrophobicContact CD1-CG2 4.49Å; F215-I339 HydrophobicContact CD2-CG2 4.33Å; F215-I339 HydrophobicContact CG-CG2 3.93Å; N250-I339 HydrophobicContact CB-CB 4.43Å; N250-I339 HydrophobicContact CB-CG2 3.51Å; P252-I339 VanDerWaalsContact CG-O 3.28Å; P252-I339 WeakPolarHBondContact CG-O 3.47Å; D336-I339 WeakPolarHBondContact O-CB 3.5Å; D336-I339 PolarHBondContact O-N 2.99Å; L337-I339 PolarHBondContact O-N 3.19Å
340	E	94.9	Very high	96.9	Very high	19 Å²	19	39 Å²	39	9%	0.089	21%	0.209	C	C	.	.	H	α-helix	trans	-73.4	-27.7	-176.5	-72.5	-67	146.7	0	0	114.1	N250 L251 E312 N313 D336 L337	N250-E340 WeakPolarHBondContact CA-OE1 3.41Å; N250-E340 WeakPolarHBondContact CB-OE1 3.44Å; N250-E340 PolarHBondContact ND2-OE1 2.84Å; L251-E340 PolarHBondContact N-OE1 2.74Å; E312-E340 WeakPolarHBondContact O-CG 3.5Å; N313-E340 HydrophobicContact CB-CB 4.05Å; N313-E340 HydrophobicContact CB-CG 3.86Å; D336-E340 WeakPolarHBondContact O-CG 3.46Å; D336-E340 PolarHBondContact O-N 3.29Å; L337-E340 PolarHBondContact O-N 3.14Å
341	I	95.7	Very high	96.9	Very high	19 Å²	19	42.7 Å²	42.7	10%	0.097	23%	0.225	C	C	.	.	S	Bend	trans	-123.6	158	169.2	63.6	163.1	0	0	0	109.8	Q314 L337 G338 K345 V346 A349	Q314-I341 HydrophobicContact CB-CG2 3.89Å; Q314-I341 HydrophobicContact CG-CG2 4.29Å; L337-I341 HydrophobicContact CD1-CD1 3.99Å; L337-I341 HydrophobicContact CD1-CG1 3.88Å; L337-I341 HydrophobicContact CD1-CG2 4.4Å; L337-I341 HydrophobicContact CG-CD1 4.05Å; L337-I341 HydrophobicContact CG-CG1 3.99Å; L337-I341 WeakPolarHBondContact O-CG1 3.36Å; L337-I341 PolarHBondContact O-N 2.99Å; G338-I341 CarbonylContact C-O 3.48Å; I341-K345 HydrophobicContact CD1-CB 4.16Å; I341-V346 HydrophobicContact CD1-CG2 4.3Å; I341-V346 HydrophobicContact CG1-CG2 4.22Å; I341-A349 HydrophobicContact CD1-CB 4.14Å
342	P	94.2	Very high	96.9	Very high	54 Å²	54	44.9 Å²	44.9	35%	0.351	24%	0.243	S	C	.	.			trans	-52.7	131.7	176	-26.4	33.7	0	0	0	111.5	E344 K345	P342-E344 VanDerWaalsContact CB-CD 3.49Å; P342-E344 VanDerWaalsContact CB-OE1 3.29Å; P342-E344 WeakPolarHBondContact CB-OE1 3.4Å; P342-E344 WeakPolarHBondContact CB-OE2 3.48Å; P342-E344 PolarHBondContact O-N 3.39Å; P342-E344 VanDerWaalsContact O-N 3.14Å; P342-K345 HydrophobicContact CB-CD 4.32Å; P342-K345 HydrophobicContact CB-CG 4.31Å; P342-K345 HydrophobicContact CG-CD 4.17Å; P342-K345 WeakPolarHBondContact O-CB 3.26Å; P342-K345 PolarHBondContact O-N 3.22Å
343	P	94.8	Very high	96.9	Very high	92 Å²	92	45 Å²	45	60%	0.597	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-58.7	-32.6	-172.1	21	-33.1	0	0	0	112.7	K345 V346	P343-K345 PolarHBondContact O-N 3.35Å; P343-K345 VanDerWaalsContact O-N 3.14Å; P343-V346 WeakPolarHBondContact O-CB 3.29Å; P343-V346 WeakPolarHBondContact O-CG2 3.12Å; P343-V346 PolarHBondContact O-N 3.18Å
344	E	97.2	Very high	96.9	Very high	125 Å²	125	44.9 Å²	44.9	58%	0.584	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-66.6	-9.7	175	71.7	-82.4	-169.6	0	0	114.2	P342 F347	P342-E344 VanDerWaalsContact CB-CD 3.49Å; P342-E344 VanDerWaalsContact CB-OE1 3.29Å; P342-E344 WeakPolarHBondContact CB-OE1 3.4Å; P342-E344 WeakPolarHBondContact CB-OE2 3.48Å; P342-E344 PolarHBondContact O-N 3.39Å; P342-E344 VanDerWaalsContact O-N 3.14Å; E344-F347 WeakPolarHBondContact O-CD1 3.37Å; E344-F347 WeakPolarHBondContact O-CE1 3.04Å
345	K	98.1	Very high	96.9	Very high	112 Å²	112	46 Å²	46	49%	0.487	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-101	-10.4	175.8	-63.6	-176	-178	178.6	0	113.5	I341 P342 P343 F347 I348 A349	I341-K345 HydrophobicContact CD1-CB 4.16Å; P342-K345 HydrophobicContact CB-CD 4.32Å; P342-K345 HydrophobicContact CB-CG 4.31Å; P342-K345 HydrophobicContact CG-CD 4.17Å; P342-K345 WeakPolarHBondContact O-CB 3.26Å; P342-K345 PolarHBondContact O-N 3.22Å; P343-K345 PolarHBondContact O-N 3.35Å; P343-K345 VanDerWaalsContact O-N 3.14Å; K345-F347 VanDerWaalsContact C-N 3.27Å; K345-F347 PolarHBondContact O-N 3.48Å; K345-I348 WeakPolarHBondContact O-CB 3.19Å; K345-I348 PolarHBondContact O-N 3.39Å; K345-A349 PolarHBondContact O-N 3.42Å
346	V	98.3	Very high	97.2	Very high	17 Å²	17	48.4 Å²	48.4	10%	0.103	26%	0.262	C	S	.	.	H	α-helix	trans	-58.7	-40.1	-177.3	175.2	0	0	0	0	111.5	R334 I341 P343 I348 A349 Q350	R334-V346 HydrophobicContact CB-CG1 4.07Å; R334-V346 HydrophobicContact CG-CG1 4.07Å; I341-V346 HydrophobicContact CD1-CG2 4.3Å; I341-V346 HydrophobicContact CG1-CG2 4.22Å; P343-V346 WeakPolarHBondContact O-CB 3.29Å; P343-V346 WeakPolarHBondContact O-CG2 3.12Å; P343-V346 PolarHBondContact O-N 3.18Å; V346-I348 VanDerWaalsContact C-N 3.26Å; V346-I348 PolarHBondContact O-N 3.45Å; V346-A349 PolarHBondContact O-N 3.02Å; V346-Q350 WeakPolarHBondContact O-CB 3.49Å; V346-Q350 PolarHBondContact O-N 2.9Å
347	F	98.4	Very high	97.4	Very high	122 Å²	122	46.4 Å²	46.4	54%	0.535	25%	0.251	S	S	.	.	H	α-helix	trans	-64.4	-31.7	178.8	84	-90.1	0	0	0	112.6	E344 K345 K351	E344-F347 WeakPolarHBondContact O-CD1 3.37Å; E344-F347 WeakPolarHBondContact O-CE1 3.04Å; K345-F347 VanDerWaalsContact C-N 3.27Å; K345-F347 PolarHBondContact O-N 3.48Å; F347-K351 HydrophobicContact CD2-CD 4.39Å; F347-K351 WeakPolarHBondContact O-CB 3.31Å; F347-K351 VanDerWaalsContact O-CG 3.32Å; F347-K351 WeakPolarHBondContact O-CG 3.36Å; F347-K351 PolarHBondContact O-N 3.42Å; F347-K351 VanDerWaalsContact O-N 3.08Å
348	I	98.6	Very high	97.5	Very high	97 Å²	97	46.9 Å²	46.9	50%	0.497	25%	0.253	S	S	.	.	H	α-helix	trans	-67.8	-48.2	175.8	-57.2	175.6	0	0	0	109.1	K345 V346 K351 A352	K345-I348 WeakPolarHBondContact O-CB 3.19Å; K345-I348 PolarHBondContact O-N 3.39Å; V346-I348 VanDerWaalsContact C-N 3.26Å; V346-I348 PolarHBondContact O-N 3.45Å; I348-K351 PolarHBondContact O-N 3.23Å; I348-A352 VanDerWaalsContact O-CB 3.3Å; I348-A352 WeakPolarHBondContact O-CB 3.16Å; I348-A352 PolarHBondContact O-N 2.82Å
349	A	98.6	Very high	97.5	Very high	6 Å²	6	49.2 Å²	49.2	5%	0.05	26%	0.263	C	S	.	.	H	α-helix	trans	-61	-46.4	177.5	0	0	0	0	0	111.7	V317 L337 I341 K345 V346 A352 I353	V317-A349 HydrophobicContact CG1-CB 4.35Å; V317-A349 HydrophobicContact CG2-CB 4.2Å; L337-A349 HydrophobicContact CD2-CB 4.12Å; I341-A349 HydrophobicContact CD1-CB 4.14Å; K345-A349 PolarHBondContact O-N 3.42Å; V346-A349 PolarHBondContact O-N 3.02Å; A349-A352 PolarHBondContact O-N 3.22Å; A349-I353 WeakPolarHBondContact O-CB 3.39Å; A349-I353 WeakPolarHBondContact O-CD1 3.42Å; A349-I353 WeakPolarHBondContact O-CG1 3.36Å; A349-I353 PolarHBondContact O-N 3.25Å
350	Q	98.8	Very high	97.6	Very high	11 Å²	11	50.4 Å²	50.4	5%	0.051	28%	0.276	C	S	.	.	H	α-helix	trans	-54.8	-56	176.3	178.1	-178.8	-57.2	0	0	111.5	V332 V346 A352 I353 I354 C366	V332-Q350 HydrophobicContact CG1-CB 4.02Å; V332-Q350 HydrophobicContact CG1-CG 4.28Å; V346-Q350 WeakPolarHBondContact O-CB 3.49Å; V346-Q350 PolarHBondContact O-N 2.9Å; Q350-A352 VanDerWaalsContact C-N 3.34Å; Q350-A352 PolarHBondContact O-N 3.06Å; Q350-I353 PolarHBondContact O-N 3.43Å; Q350-I354 HydrophobicContact CG-CD1 3.69Å; Q350-I354 HydrophobicContact CG-CG1 4.48Å; Q350-I354 WeakPolarHBondContact O-CB 3.46Å; Q350-I354 VanDerWaalsContact O-CG1 3.25Å; Q350-I354 WeakPolarHBondContact O-CG1 3.44Å; Q350-I354 PolarHBondContact O-N 3.5Å; Q350-C366 PolarHBondContact OE1-SG 2.97Å
351	K	98.8	Very high	97.8	Very high	79 Å²	79	50.4 Å²	50.4	34%	0.343	28%	0.282	S	S	.	.	H	α-helix	trans	-61	-42.9	-178	-72.4	-179.1	-173.8	-57.1	0	111.7	F347 I348 A355 D394	F347-K351 HydrophobicContact CD2-CD 4.39Å; F347-K351 WeakPolarHBondContact O-CB 3.31Å; F347-K351 VanDerWaalsContact O-CG 3.32Å; F347-K351 WeakPolarHBondContact O-CG 3.36Å; F347-K351 PolarHBondContact O-N 3.42Å; F347-K351 VanDerWaalsContact O-N 3.08Å; I348-K351 PolarHBondContact O-N 3.23Å; K351-A355 WeakPolarHBondContact O-CB 3.36Å; K351-A355 PolarHBondContact O-N 3.14Å; K351-D394 WeakPolarHBondContact CG-OD2 3.46Å; K351-D394 IonicContact NZ-OD1 4Å; K351-D394 PolarHBondContact NZ-OD1 2.86Å; K351-D394 IonicContact NZ-OD2 2.78Å; K351-D394 PolarHBondContact NZ-OD2 2.94Å
352	A	98.7	Very high	97.9	Very high	45 Å²	45	51.9 Å²	51.9	37%	0.372	29%	0.287	S	S	.	.	H	α-helix	trans	-64.6	-46.5	178.8	0	0	0	0	0	112.4	I348 A349 Q350 A355 K356	I348-A352 VanDerWaalsContact O-CB 3.3Å; I348-A352 WeakPolarHBondContact O-CB 3.16Å; I348-A352 PolarHBondContact O-N 2.82Å; A349-A352 PolarHBondContact O-N 3.22Å; Q350-A352 VanDerWaalsContact C-N 3.34Å; Q350-A352 PolarHBondContact O-N 3.06Å; A352-A355 PolarHBondContact O-N 3.04Å; A352-K356 WeakPolarHBondContact O-CB 3.34Å; A352-K356 VanDerWaalsContact O-CG 3.28Å; A352-K356 WeakPolarHBondContact O-CG 3.34Å; A352-K356 PolarHBondContact O-N 2.96Å
353	I	98.8	Very high	98.1	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.015	27%	0.272	C	S	.	.	H	α-helix	trans	-65.6	-44	180	-68.7	164.7	0	0	0	110.7	I311 V317 A320 I330 V332 A349 Q350 A355 K356 C357 V364	I311-I353 HydrophobicContact CB-CD1 4.06Å; I311-I353 HydrophobicContact CG1-CD1 4.37Å; I311-I353 HydrophobicContact CG2-CD1 3.69Å; V317-I353 HydrophobicContact CG2-CD1 4.4Å; A320-I353 HydrophobicContact CB-CG1 4.44Å; I330-I353 HydrophobicContact CB-CG2 4.44Å; I330-I353 HydrophobicContact CG2-CG2 3.58Å; V332-I353 HydrophobicContact CG2-CB 4.06Å; V332-I353 HydrophobicContact CG2-CD1 4.44Å; V332-I353 HydrophobicContact CG2-CG2 3.76Å; A349-I353 WeakPolarHBondContact O-CB 3.39Å; A349-I353 WeakPolarHBondContact O-CD1 3.42Å; A349-I353 WeakPolarHBondContact O-CG1 3.36Å; A349-I353 PolarHBondContact O-N 3.25Å; Q350-I353 PolarHBondContact O-N 3.43Å; I353-A355 PolarHBondContact O-N 3.48Å; I353-K356 PolarHBondContact O-N 3.29Å; I353-C357 WeakPolarHBondContact O-CB 3.27Å; I353-C357 PolarHBondContact O-N 3.08Å; I353-C357 PolarHBondContact O-SG 2.96Å; I353-V364 HydrophobicContact CG2-CG2 4.4Å
354	I	98.8	Very high	98.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.2	-51.3	176.4	-70.4	172.3	0	0	0	110.1	Q350 K356 C357 K358 V364 D394 G395 A396	Q350-I354 HydrophobicContact CG-CD1 3.69Å; Q350-I354 HydrophobicContact CG-CG1 4.48Å; Q350-I354 WeakPolarHBondContact O-CB 3.46Å; Q350-I354 VanDerWaalsContact O-CG1 3.25Å; Q350-I354 WeakPolarHBondContact O-CG1 3.44Å; Q350-I354 PolarHBondContact O-N 3.5Å; I354-K356 PolarHBondContact O-N 3.36Å; I354-C357 WeakPolarHBondContact O-CB 3.3Å; I354-C357 PolarHBondContact O-N 3.33Å; I354-C357 VanDerWaalsContact O-N 3.16Å; I354-K358 HydrophobicContact CG2-CG 4.48Å; I354-K358 WeakPolarHBondContact O-CG 3.38Å; I354-K358 PolarHBondContact O-N 3.36Å; I354-V364 HydrophobicContact CB-CG1 4.22Å; I354-V364 HydrophobicContact CG1-CG1 4.01Å; I354-V364 HydrophobicContact CG1-CG2 3.88Å; I354-V364 HydrophobicContact CG2-CG1 3.99Å; I354-D394 HydrophobicContact CD1-CB 4.02Å; I354-D394 HydrophobicContact CG2-CB 4.44Å; I354-D394 WeakPolarHBondContact CG2-O 3.33Å; I354-G395 VanDerWaalsContact CG2-C 3.42Å; I354-A396 HydrophobicContact CD1-CB 4.28Å
355	A	98.4	Very high	98.4	Very high	52 Å²	52	39.2 Å²	39.2	43%	0.43	22%	0.216	S	C	.	.	H	α-helix	trans	-58.5	-46.9	179	0	0	0	0	0	112	K351 A352 I353 C357 K358 V359	K351-A355 WeakPolarHBondContact O-CB 3.36Å; K351-A355 PolarHBondContact O-N 3.14Å; A352-A355 PolarHBondContact O-N 3.04Å; I353-A355 PolarHBondContact O-N 3.48Å; A355-C357 VanDerWaalsContact C-N 3.31Å; A355-C357 PolarHBondContact O-N 2.92Å; A355-K358 WeakPolarHBondContact O-CB 3.04Å; A355-K358 PolarHBondContact O-N 3.13Å; A355-K358 VanDerWaalsContact O-N 3.1Å; A355-V359 WeakPolarHBondContact O-CG2 3.49Å; A355-V359 PolarHBondContact O-N 3.16Å
356	K	98.6	Very high	98.4	Very high	77 Å²	77	33.9 Å²	33.9	34%	0.335	19%	0.193	S	C	.	.	H	α-helix	trans	-57.9	-41.8	175.8	-73.6	170.1	173.2	-68.7	0	112.1	A320 D321 I324 A352 I353 I354 K358 V359 A360	A320-K356 HydrophobicContact CB-CD 4.5Å; D321-K356 VanDerWaalsContact OD1-CD 3.29Å; D321-K356 WeakPolarHBondContact OD1-CD 3.39Å; D321-K356 WeakPolarHBondContact OD1-CE 3.42Å; D321-K356 IonicContact OD1-NZ 2.79Å; D321-K356 PolarHBondContact OD1-NZ 3.24Å; D321-K356 IonicContact OD2-NZ 3.82Å; D321-K356 PolarHBondContact OD2-NZ 2.83Å; I324-K356 HydrophobicContact CD1-CB 3.53Å; I324-K356 HydrophobicContact CD1-CD 4.47Å; A352-K356 WeakPolarHBondContact O-CB 3.34Å; A352-K356 VanDerWaalsContact O-CG 3.28Å; A352-K356 WeakPolarHBondContact O-CG 3.34Å; A352-K356 PolarHBondContact O-N 2.96Å; I353-K356 PolarHBondContact O-N 3.29Å; I354-K356 PolarHBondContact O-N 3.36Å; K356-K358 PolarHBondContact O-N 3.33Å; K356-V359 PolarHBondContact O-N 3.39Å; K356-A360 WeakPolarHBondContact O-CB 3.46Å; K356-A360 PolarHBondContact O-N 3.45Å
357	C	98.7	Very high	98.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.2	-39.2	175.4	-67.3	0	0	0	0	112.4	I330 I353 I354 A355 A360 G361 K362 V364	I330-C357 VanDerWaalsContact CG1-SG 3.54Å; I353-C357 WeakPolarHBondContact O-CB 3.27Å; I353-C357 PolarHBondContact O-N 3.08Å; I353-C357 PolarHBondContact O-SG 2.96Å; I354-C357 WeakPolarHBondContact O-CB 3.3Å; I354-C357 PolarHBondContact O-N 3.33Å; I354-C357 VanDerWaalsContact O-N 3.16Å; A355-C357 VanDerWaalsContact C-N 3.31Å; A355-C357 PolarHBondContact O-N 2.92Å; C357-A360 PolarHBondContact O-N 3.47Å; C357-G361 PolarHBondContact O-N 3.42Å; C357-K362 PolarHBondContact O-N 2.96Å; C357-V364 HydrophobicContact CB-CB 3.69Å; C357-V364 HydrophobicContact CB-CG1 3.99Å; C357-V364 HydrophobicContact CB-CG2 4.32Å
358	K	97.6	Very high	98.2	Very high	10 Å²	10	28.6 Å²	28.6	4%	0.043	17%	0.171	C	C	.	.	H	α-helix	trans	-61.9	-45.2	175	-66.1	-49.4	94.9	-159	0	111.6	I354 A355 K356 A360 G361 K362 G395 D397 F434 K483	I354-K358 HydrophobicContact CG2-CG 4.48Å; I354-K358 WeakPolarHBondContact O-CG 3.38Å; I354-K358 PolarHBondContact O-N 3.36Å; A355-K358 WeakPolarHBondContact O-CB 3.04Å; A355-K358 PolarHBondContact O-N 3.13Å; A355-K358 VanDerWaalsContact O-N 3.1Å; K356-K358 PolarHBondContact O-N 3.33Å; K358-A360 VanDerWaalsContact C-N 3.35Å; K358-A360 PolarHBondContact O-N 3.18Å; K358-G361 PolarHBondContact O-N 2.89Å; K358-G361 VanDerWaalsContact O-N 3.14Å; K358-K362 PolarHBondContact NZ-O 3.48Å; K358-G395 WeakPolarHBondContact CD-O 3.46Å; K358-G395 WeakPolarHBondContact CE-O 3.35Å; K358-D397 IonicContact NZ-OD1 3Å; K358-D397 PolarHBondContact NZ-OD1 2.86Å; K358-D397 IonicContact NZ-OD2 3.56Å; K358-D397 PolarHBondContact NZ-OD2 3.34Å; K358-F434 HydrophobicContact CB-CE2 4.34Å; K358-F434 HydrophobicContact CB-CZ 4.02Å; K358-F434 HydrophobicContact CD-CZ 4.1Å; K358-F434 HydrophobicContact CG-CE2 4.08Å; K358-F434 HydrophobicContact CG-CZ 3.92Å; K358-K483 WeakPolarHBondContact O-CE 3.29Å
359	V	97.4	Very high	98.1	Very high	69 Å²	69	29.8 Å²	29.8	42%	0.418	17%	0.174	S	C	.	.	H	α-helix	trans	-59.9	-45.7	175.3	178.6	0	0	0	0	111.1	A355 K356 G361 I441 K483	A355-V359 WeakPolarHBondContact O-CG2 3.49Å; A355-V359 PolarHBondContact O-N 3.16Å; K356-V359 PolarHBondContact O-N 3.39Å; V359-G361 PolarHBondContact O-N 2.94Å; V359-I441 HydrophobicContact CG1-CD1 4.34Å; V359-I441 HydrophobicContact CG2-CD1 3.57Å; V359-K483 WeakPolarHBondContact O-CE 3.49Å; V359-K483 PolarHBondContact O-NZ 3.08Å
360	A	97.2	Very high	98.1	Very high	49 Å²	49	29.5 Å²	29.5	41%	0.405	17%	0.172	S	C	.	.	H	α-helix	trans	-68.2	-20.3	178	0	0	0	0	0	113.6	I324 K356 C357 K358 K362	I324-A360 HydrophobicContact CG2-CB 3.53Å; K356-A360 WeakPolarHBondContact O-CB 3.46Å; K356-A360 PolarHBondContact O-N 3.45Å; C357-A360 PolarHBondContact O-N 3.47Å; K358-A360 VanDerWaalsContact C-N 3.35Å; K358-A360 PolarHBondContact O-N 3.18Å; A360-K362 HydrophobicContact CB-CG 4.3Å
361	G	97.2	Very high	98	Very high	20 Å²	20	29 Å²	29	21%	0.206	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	30.3	-173.7	0	0	0	0	0	113.5	C357 K358 V359	C357-G361 PolarHBondContact O-N 3.42Å; K358-G361 PolarHBondContact O-N 2.89Å; K358-G361 VanDerWaalsContact O-N 3.14Å; V359-G361 PolarHBondContact O-N 2.94Å
362	K	98.5	Very high	98	Very high	49 Å²	49	28.2 Å²	28.2	21%	0.213	17%	0.167	C	C	.	.			trans	-110.1	145.6	179.2	-65.4	-169.8	179.4	-169.7	0	110.9	I324 Q325 S327 C357 K358 A360	I324-K362 HydrophobicContact CG2-CD 4.15Å; I324-K362 WeakPolarHBondContact O-CD 3.47Å; I324-K362 WeakPolarHBondContact O-CE 3.45Å; I324-K362 PolarHBondContact O-NZ 3.12Å; Q325-K362 VanDerWaalsContact C-NZ 3.32Å; Q325-K362 PolarHBondContact O-NZ 2.95Å; S327-K362 WeakPolarHBondContact O-CD 3.41Å; S327-K362 WeakPolarHBondContact O-CE 3.41Å; S327-K362 PolarHBondContact O-NZ 2.63Å; C357-K362 PolarHBondContact O-N 2.96Å; K358-K362 PolarHBondContact NZ-O 3.48Å; A360-K362 HydrophobicContact CB-CG 4.3Å
363	P	98.7	Very high	98	Very high	5 Å²	5	27 Å²	27	3%	0.032	16%	0.155	C	C	.	.			trans	-65	142	177.8	27.4	-34.9	0	0	0	111.2	D328 G329 I330 D397 L505	D328-P363 WeakPolarHBondContact O-CD 3.4Å; D328-P363 WeakPolarHBondContact O-CG 3.43Å; G329-P363 CarbonylContact C-O 3.59Å; G329-P363 WeakPolarHBondContact CA-O 3.32Å; I330-P363 PolarHBondContact N-O 3.25Å; P363-D397 WeakPolarHBondContact CA-OD2 3.32Å; P363-L505 HydrophobicContact CB-CB 3.87Å; P363-L505 WeakPolarHBondContact CB-O 3.34Å; P363-L505 HydrophobicContact CG-CB 4.03Å
364	V	98.9	Very high	98	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	132.1	177.2	64.4	0	0	0	0	110.9	I330 V332 I353 I354 C357 D397 C398	I330-V364 HydrophobicContact CB-CG2 4.31Å; I330-V364 HydrophobicContact CG2-CG2 4.47Å; I330-V364 CarbonylContact O-C 3.49Å; I330-V364 VanDerWaalsContact O-CA 3.24Å; I330-V364 WeakPolarHBondContact O-CA 3.42Å; V332-V364 HydrophobicContact CG2-CG2 4.19Å; I353-V364 HydrophobicContact CG2-CG2 4.4Å; I354-V364 HydrophobicContact CB-CG1 4.22Å; I354-V364 HydrophobicContact CG1-CG1 4.01Å; I354-V364 HydrophobicContact CG1-CG2 3.88Å; I354-V364 HydrophobicContact CG2-CG1 3.99Å; C357-V364 HydrophobicContact CB-CB 3.69Å; C357-V364 HydrophobicContact CB-CG1 3.99Å; C357-V364 HydrophobicContact CB-CG2 4.32Å; V364-D397 PolarHBondContact N-OD2 2.91Å; V364-D397 PolarHBondContact O-N 2.8Å; V364-C398 PolarHBondContact O-N 3.28Å
365	I	98.9	Very high	97.9	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	130.4	-177.6	-57.2	165	0	0	0	108.6	I92 F281 V308 I330 M331 V332 A367 C398 M400 L505	I92-I365 HydrophobicContact CD1-CB 4.47Å; I92-I365 HydrophobicContact CD1-CD1 3.46Å; I92-I365 VanDerWaalsContact CD1-CD1 3.46Å; I92-I365 HydrophobicContact CD1-CG1 3.83Å; I92-I365 HydrophobicContact CD1-CG2 3.81Å; F281-I365 HydrophobicContact CE1-CD1 3.8Å; F281-I365 HydrophobicContact CZ-CD1 4.01Å; V308-I365 HydrophobicContact CG1-CD1 4.05Å; I330-I365 PolarHBondContact O-N 3.04Å; M331-I365 WeakPolarHBondContact CA-O 3.34Å; M331-I365 HydrophobicContact CB-CB 4.17Å; M331-I365 HydrophobicContact CE-CB 4.47Å; M331-I365 HydrophobicContact CE-CD1 3.89Å; M331-I365 HydrophobicContact CE-CG2 4.15Å; M331-I365 HydrophobicContact CG-CB 4.08Å; M331-I365 HydrophobicContact CG-CG2 4.13Å; V332-I365 PolarHBondContact N-O 3.4Å; I365-A367 HydrophobicContact CG2-CB 4.42Å; I365-C398 WeakPolarHBondContact CA-O 3.43Å; I365-C398 HydrophobicContact CG1-CB 4.04Å; I365-C398 HydrophobicContact CG2-CB 4.42Å; I365-M400 HydrophobicContact CG2-CB 4.08Å; I365-L505 HydrophobicContact CD1-CD2 4Å
366	C	98.8	Very high	97.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.5	165.1	-168.9	0	0	0	0	109.2	Q350 M370 A391 A396 C398 V399 M400	Q350-C366 PolarHBondContact OE1-SG 2.97Å; C366-M370 HydrophobicContact CB-CE 4.29Å; C366-A391 HydrophobicContact CB-CB 3.81Å; C366-A396 HydrophobicContact CB-CB 4.13Å; C366-C398 PolarHBondContact N-O 3Å; C366-V399 WeakPolarHBondContact O-CA 3.24Å; C366-M400 PolarHBondContact O-N 2.87Å; C366-M400 VanDerWaalsContact O-N 3.12Å
367	A	98.1	Very high	97.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	162.5	-167.9	0	0	0	0	0	113.5	M331 V332 R334 I365 M400	M331-A367 HydrophobicContact CG-CB 3.65Å; M331-A367 HydrophobicContact SD-CB 3.68Å; V332-A367 PolarHBondContact O-N 2.95Å; R334-A367 WeakPolarHBondContact CG-O 3.48Å; R334-A367 PolarHBondContact NE-O 3.32Å; I365-A367 HydrophobicContact CG2-CB 4.42Å; A367-M400 HydrophobicContact CB-CB 4.09Å; A367-M400 HydrophobicContact CB-CE 3.55Å; A367-M400 HydrophobicContact CB-SD 4.25Å
368	T	94.5	Very high	97.8	Very high	27 Å²	27	38.5 Å²	38.5	17%	0.166	20%	0.199	C	C	.	.	S	Bend	trans	69.6	135.1	173.2	64.3	0	0	0	0	115.3	R334 G335 M370	R334-T368 WeakPolarHBondContact CA-OG1 3.29Å; R334-T368 WeakPolarHBondContact CB-OG1 3.45Å; R334-T368 PolarHBondContact N-OG1 3.46Å; R334-T368 VanDerWaalsContact N-OG1 3.11Å; R334-T368 PolarHBondContact NH2-O 3.02Å; G335-T368 PolarHBondContact N-OG1 2.85Å; T368-M370 PolarHBondContact O-N 3.33Å; T368-M370 VanDerWaalsContact O-N 3.15Å
369	Q	95.6	Very high	97.8	Very high	123 Å²	123	46.1 Å²	46.1	58%	0.575	23%	0.228	S	C	*	.	S	Bend	trans	52.6	31.2	175.6	-60.5	-176	-15.5	0	0	115.6	E372	Q369-E372 HydrophobicContact CB-CB 4.1Å; Q369-E372 HydrophobicContact CG-CB 4.31Å; Q369-E372 HydrophobicContact CG-CG 4.17Å
370	M	98.1	Very high	97.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-72.9	-34.3	-179.9	-64	-161.8	90.3	0	0	112	R334 C366 T368 E384 I388 A391 V399 E404 M418	R334-M370 VanDerWaalsContact NH2-CG 3.34Å; C366-M370 HydrophobicContact CB-CE 4.29Å; T368-M370 PolarHBondContact O-N 3.33Å; T368-M370 VanDerWaalsContact O-N 3.15Å; M370-E384 VanDerWaalsContact O-CB 3.28Å; M370-E384 WeakPolarHBondContact O-CB 3.31Å; M370-E384 WeakPolarHBondContact O-CG 3.45Å; M370-I388 HydrophobicContact CB-CD1 4.3Å; M370-I388 HydrophobicContact CB-CG1 3.93Å; M370-I388 HydrophobicContact CE-CB 4.2Å; M370-I388 HydrophobicContact CE-CG1 3.7Å; M370-I388 HydrophobicContact SD-CG1 4.41Å; M370-A391 HydrophobicContact CE-CB 3.82Å; M370-V399 HydrophobicContact CE-CB 4.18Å; M370-V399 HydrophobicContact CE-CG1 3.83Å; M370-V399 HydrophobicContact SD-CB 3.71Å; M370-V399 HydrophobicContact SD-CG1 4.03Å; M370-E404 PolarHBondContact N-OE1 2.75Å; M370-M418 HydrophobicContact CB-CE 3.89Å; M370-M418 HydrophobicContact SD-CE 4.01Å
371	L	98.4	Very high	97.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-132.4	35.5	176.6	-64.8	-176.8	0	0	0	111.2	S373 M374 P380 E384 I388 L401 E404 A414 I417 M418	L371-S373 PolarHBondContact O-N 3.26Å; L371-M374 HydrophobicContact CB-CB 4.33Å; L371-M374 HydrophobicContact CB-CG 4.25Å; L371-M374 HydrophobicContact CB-SD 4.25Å; L371-M374 HydrophobicContact CD1-SD 3.91Å; L371-M374 HydrophobicContact CD2-SD 4.4Å; L371-M374 HydrophobicContact CG-SD 4.43Å; L371-M374 WeakPolarHBondContact O-CA 3.05Å; L371-M374 VanDerWaalsContact O-CB 3.28Å; L371-M374 WeakPolarHBondContact O-CB 3.35Å; L371-M374 PolarHBondContact O-N 2.88Å; L371-P380 HydrophobicContact CD2-CB 3.77Å; L371-P380 HydrophobicContact CD2-CG 4.47Å; L371-E384 HydrophobicContact CD2-CB 3.99Å; L371-I388 HydrophobicContact CD1-CD1 4.17Å; L371-I388 HydrophobicContact CD2-CD1 3.31Å; L371-I388 HydrophobicContact CG-CD1 3.61Å; L371-L401 HydrophobicContact CB-CD2 4Å; L371-L401 HydrophobicContact CD1-CD2 3.84Å; L371-L401 HydrophobicContact CG-CD2 4.01Å; L371-E404 HydrophobicContact CB-CG 3.96Å; L371-E404 PolarHBondContact N-OE1 3.49Å; L371-E404 VanDerWaalsContact O-CG 3.23Å; L371-E404 WeakPolarHBondContact O-CG 3.44Å; L371-A414 HydrophobicContact CD1-CB 4.2Å; L371-A414 WeakPolarHBondContact CD1-O 3.48Å; L371-I417 HydrophobicContact CD1-CG2 3.53Å; L371-M418 HydrophobicContact CD1-CB 4.14Å
372	E	98	Very high	98	Very high	63 Å²	63	52.3 Å²	52.3	29%	0.294	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-50.6	-39.3	-167.8	-168.6	65.2	-167.5	0	0	113.8	Q369 M374 I375 E384	Q369-E372 HydrophobicContact CB-CB 4.1Å; Q369-E372 HydrophobicContact CG-CB 4.31Å; Q369-E372 HydrophobicContact CG-CG 4.17Å; E372-M374 PolarHBondContact O-N 3.28Å; E372-M374 VanDerWaalsContact O-N 3.14Å; E372-I375 HydrophobicContact CG-CD1 4.36Å; E372-I375 WeakPolarHBondContact O-CB 3.48Å; E372-I375 VanDerWaalsContact O-CG1 3.27Å; E372-I375 WeakPolarHBondContact O-CG1 3.42Å; E372-I375 PolarHBondContact O-N 3.21Å; E372-I375 VanDerWaalsContact O-N 3.11Å; E372-I375 WeakPolarHBondContact OE1-CD1 2.85Å; E372-E384 PolarHBondContact N-OE1 3.09Å
373	S	98.2	Very high	98	Very high	18 Å²	18	53.5 Å²	53.5	13%	0.126	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-62.3	-22.9	178.4	78.2	0	0	0	0	113.7	L371 I375 Y376 K377 E384	L371-S373 PolarHBondContact O-N 3.26Å; S373-I375 PolarHBondContact O-N 2.95Å; S373-Y376 PolarHBondContact O-N 3.39Å; S373-Y376 VanDerWaalsContact O-N 3.17Å; S373-K377 WeakPolarHBondContact O-CB 3.49Å; S373-K377 PolarHBondContact O-N 2.63Å; S373-E384 WeakPolarHBondContact CA-OE1 3.37Å; S373-E384 WeakPolarHBondContact CB-OE1 3.19Å; S373-E384 PolarHBondContact N-OE1 2.9Å; S373-E384 VanDerWaalsContact OG-CD 3.23Å; S373-E384 PolarHBondContact OG-OE1 2.68Å; S373-E384 PolarHBondContact OG-OE2 2.82Å
374	M	98.4	Very high	98	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-74.6	-4.4	177.8	-62.9	-166.3	65.6	0	0	114.4	L371 E372 Y376 K377 P380 E413 A414 I417	L371-M374 HydrophobicContact CB-CB 4.33Å; L371-M374 HydrophobicContact CB-CG 4.25Å; L371-M374 HydrophobicContact CB-SD 4.25Å; L371-M374 HydrophobicContact CD1-SD 3.91Å; L371-M374 HydrophobicContact CD2-SD 4.4Å; L371-M374 HydrophobicContact CG-SD 4.43Å; L371-M374 WeakPolarHBondContact O-CA 3.05Å; L371-M374 VanDerWaalsContact O-CB 3.28Å; L371-M374 WeakPolarHBondContact O-CB 3.35Å; L371-M374 PolarHBondContact O-N 2.88Å; E372-M374 PolarHBondContact O-N 3.28Å; E372-M374 VanDerWaalsContact O-N 3.14Å; M374-Y376 PolarHBondContact O-N 3.14Å; M374-K377 VanDerWaalsContact CA-O 3.23Å; M374-K377 WeakPolarHBondContact CA-O 3.27Å; M374-P380 HydrophobicContact CG-CB 4.14Å; M374-P380 HydrophobicContact SD-CB 3.9Å; M374-P380 HydrophobicContact SD-CG 4.17Å; M374-E413 HydrophobicContact CE-CB 3.84Å; M374-A414 HydrophobicContact CB-CB 4.5Å; M374-A414 HydrophobicContact CE-CB 4.32Å; M374-A414 HydrophobicContact SD-CB 4.47Å; M374-I417 HydrophobicContact CE-CG2 4.11Å; M374-I417 HydrophobicContact SD-CG2 3.61Å
375	I	98.3	Very high	97.9	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.021	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-57.4	-37.2	163.8	-65.6	173.8	0	0	0	110.2	E372 S373 E404 G408 A409	E372-I375 HydrophobicContact CG-CD1 4.36Å; E372-I375 WeakPolarHBondContact O-CB 3.48Å; E372-I375 VanDerWaalsContact O-CG1 3.27Å; E372-I375 WeakPolarHBondContact O-CG1 3.42Å; E372-I375 PolarHBondContact O-N 3.21Å; E372-I375 VanDerWaalsContact O-N 3.11Å; E372-I375 WeakPolarHBondContact OE1-CD1 2.85Å; S373-I375 PolarHBondContact O-N 2.95Å; I375-E404 HydrophobicContact CG1-CG 4.28Å; I375-G408 WeakPolarHBondContact O-CA 3.32Å; I375-A409 PolarHBondContact O-N 3.06Å
376	Y	97.9	Very high	97.9	Very high	176 Å²	176	58.8 Å²	58.8	69%	0.69	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.3	-12.4	-174.4	-52.2	-75.7	0	0	0	114.2	S373 M374	S373-Y376 PolarHBondContact O-N 3.39Å; S373-Y376 VanDerWaalsContact O-N 3.17Å; M374-Y376 PolarHBondContact O-N 3.14Å
377	K	97.9	Very high	97.9	Very high	123 Å²	123	60.8 Å²	60.8	54%	0.535	30%	0.299	S	S	.	.			trans	-122.7	142.7	-174.3	-59.9	177.1	-172.9	172	0	111.2	S373 M374 R379 Y410	S373-K377 WeakPolarHBondContact O-CB 3.49Å; S373-K377 PolarHBondContact O-N 2.63Å; M374-K377 VanDerWaalsContact CA-O 3.23Å; M374-K377 WeakPolarHBondContact CA-O 3.27Å; K377-R379 PolarHBondContact O-N 2.97Å; K377-R379 VanDerWaalsContact O-N 3.14Å; K377-Y410 VanDerWaalsContact O-CD2 3.27Å; K377-Y410 WeakPolarHBondContact O-CD2 3.24Å
378	P	97.5	Very high	97.9	Very high	69 Å²	69	60.8 Å²	60.8	45%	0.448	30%	0.299	S	S	.	.	S	Bend	trans	-73.8	-4.6	-178.9	29.6	-35.8	0	0	0	113.8	Y410	P378-Y410 HydrophobicContact CB-CD1 4.01Å; P378-Y410 HydrophobicContact CB-CE1 3.7Å; P378-Y410 HydrophobicContact CB-CE2 4.24Å; P378-Y410 HydrophobicContact CB-CG 4.4Å
379	R	98.1	Very high	98.1	Very high	171 Å²	171	60.6 Å²	60.6	65%	0.645	30%	0.3	S	S	*	.	S	Bend	trans	-140.5	142.9	-175.4	-64	-65.1	-67.7	-177.2	-2.2	110.4	K377	K377-R379 PolarHBondContact O-N 2.97Å; K377-R379 VanDerWaalsContact O-N 3.14Å
380	P	98.1	Very high	98.3	Very high	9 Å²	9	57.9 Å²	57.9	6%	0.058	29%	0.29	C	S	.	.			trans	-76.9	162.1	179	34.3	-37	0	0	0	112.1	L371 M374 E384 I417	L371-P380 HydrophobicContact CD2-CB 3.77Å; L371-P380 HydrophobicContact CD2-CG 4.47Å; M374-P380 HydrophobicContact CG-CB 4.14Å; M374-P380 HydrophobicContact SD-CB 3.9Å; M374-P380 HydrophobicContact SD-CG 4.17Å; P380-E384 WeakPolarHBondContact CA-OE2 3.44Å; P380-E384 HydrophobicContact CB-CB 4.1Å; P380-E384 WeakPolarHBondContact CB-OE2 3.32Å; P380-I417 HydrophobicContact CG-CG1 4.09Å
381	T	98.5	Very high	98.3	Very high	54 Å²	54	57.9 Å²	57.9	33%	0.331	29%	0.29	S	S	.	.			trans	-71.1	165.5	166.5	74.4	0	0	0	0	110.8	A383 E384 S385	T381-A383 VanDerWaalsContact C-N 3.28Å; T381-A383 PolarHBondContact O-N 2.85Å; T381-A383 PolarHBondContact OG1-N 2.8Å; T381-E384 PolarHBondContact N-OE2 3.31Å; T381-E384 PolarHBondContact O-N 2.93Å; T381-E384 WeakPolarHBondContact OG1-CG 3.43Å; T381-E384 PolarHBondContact OG1-N 3.28Å; T381-E384 VanDerWaalsContact OG1-N 3.17Å; T381-S385 PolarHBondContact O-N 2.8Å; T381-S385 PolarHBondContact O-OG 2.7Å
382	R	98.2	Very high	98.3	Very high	205 Å²	205	57.9 Å²	57.9	77%	0.774	29%	0.29	S	S	*	.	H	α-helix	trans	-66.1	-33.5	174.3	-55.3	-60.4	172.3	-86.8	-3.6	112.1	S386	R382-S386 WeakPolarHBondContact O-CB 3.32Å; R382-S386 PolarHBondContact O-N 2.82Å
383	A	98.5	Very high	98.3	Very high	74 Å²	74	58 Å²	58	61%	0.612	29%	0.292	S	S	*	.	H	α-helix	trans	-65.2	-44.7	177.6	0	0	0	0	0	111.4	T381 S385 S386 D387	T381-A383 VanDerWaalsContact C-N 3.28Å; T381-A383 PolarHBondContact O-N 2.85Å; T381-A383 PolarHBondContact OG1-N 2.8Å; A383-S385 PolarHBondContact O-N 2.84Å; A383-S386 WeakPolarHBondContact O-CB 3.25Å; A383-S386 PolarHBondContact O-N 3Å; A383-D387 WeakPolarHBondContact O-CB 3.25Å; A383-D387 PolarHBondContact O-N 3.15Å
384	E	98.7	Very high	98.3	Very high	19 Å²	19	59.1 Å²	59.1	9%	0.089	30%	0.297	C	S	.	.	H	α-helix	trans	-60.9	-43.9	177.1	-75.4	164.5	-177.1	0	0	112.4	M370 L371 E372 S373 P380 T381 S386 D387 I388	M370-E384 VanDerWaalsContact O-CB 3.28Å; M370-E384 WeakPolarHBondContact O-CB 3.31Å; M370-E384 WeakPolarHBondContact O-CG 3.45Å; L371-E384 HydrophobicContact CD2-CB 3.99Å; E372-E384 PolarHBondContact N-OE1 3.09Å; S373-E384 WeakPolarHBondContact CA-OE1 3.37Å; S373-E384 WeakPolarHBondContact CB-OE1 3.19Å; S373-E384 PolarHBondContact N-OE1 2.9Å; S373-E384 VanDerWaalsContact OG-CD 3.23Å; S373-E384 PolarHBondContact OG-OE1 2.68Å; S373-E384 PolarHBondContact OG-OE2 2.82Å; P380-E384 WeakPolarHBondContact CA-OE2 3.44Å; P380-E384 HydrophobicContact CB-CB 4.1Å; P380-E384 WeakPolarHBondContact CB-OE2 3.32Å; T381-E384 PolarHBondContact N-OE2 3.31Å; T381-E384 PolarHBondContact O-N 2.93Å; T381-E384 WeakPolarHBondContact OG1-CG 3.43Å; T381-E384 PolarHBondContact OG1-N 3.28Å; T381-E384 VanDerWaalsContact OG1-N 3.17Å; E384-S386 PolarHBondContact O-N 3.35Å; E384-D387 PolarHBondContact O-N 3.31Å; E384-I388 PolarHBondContact O-N 2.92Å
385	S	97.9	Very high	98.2	Very high	35 Å²	35	59 Å²	59	25%	0.245	30%	0.296	C	S	.	.	H	α-helix	trans	-63.9	-41.2	175.2	-54	0	0	0	0	112.5	T381 A383 A389	T381-S385 PolarHBondContact O-N 2.8Å; T381-S385 PolarHBondContact O-OG 2.7Å; A383-S385 PolarHBondContact O-N 2.84Å; S385-A389 WeakPolarHBondContact O-CB 3.39Å; S385-A389 PolarHBondContact O-N 3.25Å
386	S	98.5	Very high	98.3	Very high	63 Å²	63	58.9 Å²	58.9	44%	0.441	30%	0.295	S	S	.	.	H	α-helix	trans	-65.2	-38.9	176.4	-173.7	0	0	0	0	112.2	R382 A383 E384 A389 N390	R382-S386 WeakPolarHBondContact O-CB 3.32Å; R382-S386 PolarHBondContact O-N 2.82Å; A383-S386 WeakPolarHBondContact O-CB 3.25Å; A383-S386 PolarHBondContact O-N 3Å; E384-S386 PolarHBondContact O-N 3.35Å; S386-A389 PolarHBondContact O-N 3.43Å; S386-N390 WeakPolarHBondContact O-CB 3.22Å; S386-N390 PolarHBondContact O-N 2.88Å; S386-N390 PolarHBondContact O-ND2 3.05Å; S386-N390 PolarHBondContact OG-ND2 3.27Å
387	D	98.7	Very high	98.3	Very high	41 Å²	41	50.6 Å²	50.6	22%	0.219	26%	0.263	C	S	.	.	H	α-helix	trans	-61.6	-49.5	-179.9	-179.8	46.5	0	0	0	111.7	R334 A383 E384 A389 N390 A391	R334-D387 IonicContact CZ-OD1 3.23Å; R334-D387 IonicContact CZ-OD2 3.6Å; R334-D387 VanDerWaalsContact CZ-OD2 3.29Å; R334-D387 IonicContact NH1-OD1 3.77Å; R334-D387 PolarHBondContact NH1-OD1 2.81Å; R334-D387 IonicContact NH1-OD2 2.57Å; R334-D387 PolarHBondContact NH1-OD2 3.31Å; R334-D387 IonicContact NH2-OD1 3.76Å; R334-D387 IonicContact NH2-OD2 2.87Å; R334-D387 PolarHBondContact NH2-OD2 3.43Å; A383-D387 WeakPolarHBondContact O-CB 3.25Å; A383-D387 PolarHBondContact O-N 3.15Å; E384-D387 PolarHBondContact O-N 3.31Å; D387-A389 PolarHBondContact O-N 2.69Å; D387-N390 PolarHBondContact O-N 2.7Å; D387-A391 WeakPolarHBondContact O-CB 3.34Å; D387-A391 PolarHBondContact O-N 3.11Å
388	I	98.6	Very high	98.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.1	-47.3	176	-63.9	164	0	0	0	111	M370 L371 E384 N390 A391 V392 V399 M418 I421	M370-I388 HydrophobicContact CB-CD1 4.3Å; M370-I388 HydrophobicContact CB-CG1 3.93Å; M370-I388 HydrophobicContact CE-CB 4.2Å; M370-I388 HydrophobicContact CE-CG1 3.7Å; M370-I388 HydrophobicContact SD-CG1 4.41Å; L371-I388 HydrophobicContact CD1-CD1 4.17Å; L371-I388 HydrophobicContact CD2-CD1 3.31Å; L371-I388 HydrophobicContact CG-CD1 3.61Å; E384-I388 PolarHBondContact O-N 2.92Å; I388-N390 VanDerWaalsContact C-N 3.31Å; I388-N390 PolarHBondContact O-N 2.86Å; I388-A391 PolarHBondContact O-N 3.1Å; I388-V392 WeakPolarHBondContact O-CG2 3.41Å; I388-V392 PolarHBondContact O-N 2.8Å; I388-V392 VanDerWaalsContact O-N 3.09Å; I388-V399 HydrophobicContact CG2-CG1 4.47Å; I388-M418 HydrophobicContact CD1-CE 3.86Å; I388-M418 HydrophobicContact CG1-CE 4.19Å; I388-I421 HydrophobicContact CB-CG2 3.8Å; I388-I421 HydrophobicContact CD1-CD1 3.94Å; I388-I421 HydrophobicContact CG2-CB 4.11Å; I388-I421 HydrophobicContact CG2-CG2 3.62Å
389	A	98.2	Very high	98.4	Very high	24 Å²	24	41.4 Å²	41.4	20%	0.198	22%	0.216	C	C	.	.	H	α-helix	trans	-59	-45.2	-179.7	0	0	0	0	0	111.2	S385 S386 D387 V392 L393 I421 A425	S385-A389 WeakPolarHBondContact O-CB 3.39Å; S385-A389 PolarHBondContact O-N 3.25Å; S386-A389 PolarHBondContact O-N 3.43Å; D387-A389 PolarHBondContact O-N 2.69Å; A389-V392 PolarHBondContact O-N 2.98Å; A389-L393 WeakPolarHBondContact O-CB 3.44Å; A389-L393 VanDerWaalsContact O-CG 3.23Å; A389-L393 WeakPolarHBondContact O-CG 3.28Å; A389-L393 PolarHBondContact O-N 3.27Å; A389-I421 HydrophobicContact CB-CG2 4.03Å; A389-A425 HydrophobicContact CB-CB 4.08Å
390	N	98.7	Very high	98.4	Very high	66 Å²	66	33.3 Å²	33.3	35%	0.353	19%	0.186	S	C	.	.	H	α-helix	trans	-67.5	-36.4	177.5	-79.7	-73.6	0	0	0	112.9	S386 D387 I388 V392 L393 D394	S386-N390 WeakPolarHBondContact O-CB 3.22Å; S386-N390 PolarHBondContact O-N 2.88Å; S386-N390 PolarHBondContact O-ND2 3.05Å; S386-N390 PolarHBondContact OG-ND2 3.27Å; D387-N390 PolarHBondContact O-N 2.7Å; I388-N390 VanDerWaalsContact C-N 3.31Å; I388-N390 PolarHBondContact O-N 2.86Å; N390-V392 VanDerWaalsContact C-N 3.3Å; N390-V392 PolarHBondContact O-N 3.37Å; N390-L393 PolarHBondContact O-N 3.24Å; N390-D394 VanDerWaalsContact O-CB 3.25Å; N390-D394 WeakPolarHBondContact O-CB 3.38Å; N390-D394 PolarHBondContact O-N 3.35Å
391	A	98.7	Very high	98.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.7	-41	174.6	0	0	0	0	0	111.9	C366 M370 D387 I388 G395 A396 V399	C366-A391 HydrophobicContact CB-CB 3.81Å; M370-A391 HydrophobicContact CE-CB 3.82Å; D387-A391 WeakPolarHBondContact O-CB 3.34Å; D387-A391 PolarHBondContact O-N 3.11Å; I388-A391 PolarHBondContact O-N 3.1Å; A391-G395 PolarHBondContact O-N 3.07Å; A391-A396 HydrophobicContact CB-CB 4.47Å; A391-A396 WeakPolarHBondContact O-CB 3.44Å; A391-A396 PolarHBondContact O-N 3.31Å; A391-V399 HydrophobicContact CB-CG1 4.48Å
392	V	98.2	Very high	98.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-67	-45.8	175.9	174	0	0	0	0	111.4	T89 I388 A389 N390 D394 G395 V399 C422 A425 E426 R485	T89-V392 HydrophobicContact CG2-CG2 4.1Å; I388-V392 WeakPolarHBondContact O-CG2 3.41Å; I388-V392 PolarHBondContact O-N 2.8Å; I388-V392 VanDerWaalsContact O-N 3.09Å; A389-V392 PolarHBondContact O-N 2.98Å; N390-V392 VanDerWaalsContact C-N 3.3Å; N390-V392 PolarHBondContact O-N 3.37Å; V392-D394 VanDerWaalsContact C-N 3.32Å; V392-D394 PolarHBondContact O-N 3.24Å; V392-G395 PolarHBondContact O-N 3.25Å; V392-G395 VanDerWaalsContact O-N 3.14Å; V392-V399 HydrophobicContact CG2-CG1 4.28Å; V392-C422 HydrophobicContact CG2-CB 4.41Å; V392-A425 HydrophobicContact CB-CB 3.81Å; V392-A425 HydrophobicContact CG1-CB 3.76Å; V392-A425 HydrophobicContact CG2-CB 4.5Å; V392-E426 HydrophobicContact CG1-CG 3.88Å; V392-R485 PolarHBondContact O-NH1 2.73Å
393	L	97.6	Very high	98.4	Very high	65 Å²	65	22.1 Å²	22.1	34%	0.34	14%	0.143	S	C	.	.	H	α-helix	trans	-63.9	-33.9	177	-68.7	171	0	0	0	112.8	A389 N390 G395 A425 A428 Y429	A389-L393 WeakPolarHBondContact O-CB 3.44Å; A389-L393 VanDerWaalsContact O-CG 3.23Å; A389-L393 WeakPolarHBondContact O-CG 3.28Å; A389-L393 PolarHBondContact O-N 3.27Å; N390-L393 PolarHBondContact O-N 3.24Å; L393-G395 PolarHBondContact O-N 3.02Å; L393-A425 WeakPolarHBondContact CD2-O 3.31Å; L393-A425 HydrophobicContact CG-CB 4.44Å; L393-A428 HydrophobicContact CD2-CB 4.32Å; L393-Y429 HydrophobicContact CD2-CD2 4.18Å; L393-Y429 VanDerWaalsContact O-CE2 3.3Å; L393-Y429 WeakPolarHBondContact O-CE2 3.42Å
394	D	98.2	Very high	98.4	Very high	42 Å²	42	18.6 Å²	18.6	23%	0.225	11%	0.114	C	C	.	.	H	α-helix	trans	-67.4	-24	175.2	-77.5	-22.1	0	0	0	112.4	K351 I354 N390 V392	K351-D394 WeakPolarHBondContact CG-OD2 3.46Å; K351-D394 IonicContact NZ-OD1 4Å; K351-D394 PolarHBondContact NZ-OD1 2.86Å; K351-D394 IonicContact NZ-OD2 2.78Å; K351-D394 PolarHBondContact NZ-OD2 2.94Å; I354-D394 HydrophobicContact CD1-CB 4.02Å; I354-D394 HydrophobicContact CG2-CB 4.44Å; I354-D394 WeakPolarHBondContact CG2-O 3.33Å; N390-D394 VanDerWaalsContact O-CB 3.25Å; N390-D394 WeakPolarHBondContact O-CB 3.38Å; N390-D394 PolarHBondContact O-N 3.35Å; V392-D394 VanDerWaalsContact C-N 3.32Å; V392-D394 PolarHBondContact O-N 3.24Å
395	G	97.9	Very high	98.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	116.2	16	179.3	0	0	0	0	0	115.6	I354 K358 A391 V392 L393 D397 R485	I354-G395 VanDerWaalsContact CG2-C 3.42Å; K358-G395 WeakPolarHBondContact CD-O 3.46Å; K358-G395 WeakPolarHBondContact CE-O 3.35Å; A391-G395 PolarHBondContact O-N 3.07Å; V392-G395 PolarHBondContact O-N 3.25Å; V392-G395 VanDerWaalsContact O-N 3.14Å; L393-G395 PolarHBondContact O-N 3.02Å; G395-D397 PolarHBondContact O-N 2.66Å; G395-R485 VanDerWaalsContact CA-CZ 3.47Å; G395-R485 PolarHBondContact O-NH2 3.31Å
396	A	98.7	Very high	98.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.104	C	C	.	.			trans	-61.4	134.8	173.3	0	0	0	0	0	110.9	I354 C366 A391 R485	I354-A396 HydrophobicContact CD1-CB 4.28Å; C366-A396 HydrophobicContact CB-CB 4.13Å; A391-A396 HydrophobicContact CB-CB 4.47Å; A391-A396 WeakPolarHBondContact O-CB 3.44Å; A391-A396 PolarHBondContact O-N 3.31Å; A396-R485 PolarHBondContact O-NH2 2.78Å
397	D	98.8	Very high	98.4	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.011	11%	0.112	C	C	.	.	S	Bend	trans	-84.8	-29.3	175.8	-53.3	-79.9	0	0	0	111.9	T89 G90 K358 P363 V364 G395 L505 Y507	T89-D397 WeakPolarHBondContact CA-O 3.35Å; T89-D397 WeakPolarHBondContact CG2-O 3.48Å; G90-D397 PolarHBondContact N-O 3.28Å; K358-D397 IonicContact NZ-OD1 3Å; K358-D397 PolarHBondContact NZ-OD1 2.86Å; K358-D397 IonicContact NZ-OD2 3.56Å; K358-D397 PolarHBondContact NZ-OD2 3.34Å; P363-D397 WeakPolarHBondContact CA-OD2 3.32Å; V364-D397 PolarHBondContact N-OD2 2.91Å; V364-D397 PolarHBondContact O-N 2.8Å; G395-D397 PolarHBondContact O-N 2.66Å; D397-L505 WeakPolarHBondContact CB-O 3.21Å; D397-Y507 VanDerWaalsContact OD1-CB 3.24Å; D397-Y507 WeakPolarHBondContact OD1-CB 3.49Å; D397-Y507 PolarHBondContact OD1-N 2.93Å
398	C	98.9	Very high	98.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	157.6	170.9	-44.2	0	0	0	0	112.1	G90 I92 V364 I365 C366 H504	G90-C398 CarbonylContact O-C 3.57Å; G90-C398 WeakPolarHBondContact O-CA 3.46Å; G90-C398 VanDerWaalsContact O-CB 3.26Å; G90-C398 WeakPolarHBondContact O-CB 3.41Å; I92-C398 HydrophobicContact CD1-CB 3.8Å; I92-C398 HydrophobicContact CG1-CB 3.96Å; V364-C398 PolarHBondContact O-N 3.28Å; I365-C398 WeakPolarHBondContact CA-O 3.43Å; I365-C398 HydrophobicContact CG1-CB 4.04Å; I365-C398 HydrophobicContact CG2-CB 4.42Å; C366-C398 PolarHBondContact N-O 3Å; C398-H504 PolarHBondContact SG-O 3.16Å
399	V	98.9	Very high	98.3	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	150	169.5	-69	0	0	0	0	109.4	T89 G90 I91 I92 C366 M370 I388 A391 V392 M418	T89-V399 HydrophobicContact CG2-CG1 4.24Å; T89-V399 HydrophobicContact CG2-CG2 4.16Å; G90-V399 PolarHBondContact O-N 3.28Å; I91-V399 HydrophobicContact CG1-CG2 4.16Å; I92-V399 PolarHBondContact N-O 3.2Å; C366-V399 WeakPolarHBondContact O-CA 3.24Å; M370-V399 HydrophobicContact CE-CB 4.18Å; M370-V399 HydrophobicContact CE-CG1 3.83Å; M370-V399 HydrophobicContact SD-CB 3.71Å; M370-V399 HydrophobicContact SD-CG1 4.03Å; I388-V399 HydrophobicContact CG2-CG1 4.47Å; A391-V399 HydrophobicContact CB-CG1 4.48Å; V392-V399 HydrophobicContact CG2-CG1 4.28Å; V399-M418 HydrophobicContact CB-CE 4.16Å; V399-M418 HydrophobicContact CB-SD 4.11Å; V399-M418 HydrophobicContact CG2-CE 4.09Å; V399-M418 HydrophobicContact CG2-CG 3.72Å; V399-M418 HydrophobicContact CG2-SD 3.46Å; V399-M418 WeakPolarHBondContact CG2-SD 3.33Å
400	M	98.9	Very high	98.3	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	130.4	-170.7	-173.5	174.6	93.9	0	0	114	I92 R117 F281 M331 I365 C366 A367	I92-M400 HydrophobicContact CB-CB 3.99Å; I92-M400 HydrophobicContact CB-CG 3.81Å; I92-M400 HydrophobicContact CB-SD 4.48Å; I92-M400 HydrophobicContact CG2-CB 4.49Å; I92-M400 HydrophobicContact CG2-CG 3.81Å; I92-M400 HydrophobicContact CG2-SD 3.99Å; I92-M400 CarbonylContact O-C 3.57Å; I92-M400 WeakPolarHBondContact O-CA 3.37Å; R117-M400 WeakPolarHBondContact CD-SD 3.45Å; F281-M400 HydrophobicContact CE2-SD 4.35Å; M331-M400 HydrophobicContact CE-CE 4.19Å; M331-M400 HydrophobicContact CE-SD 3.56Å; M331-M400 VanDerWaalsContact CE-SD 3.56Å; M331-M400 HydrophobicContact SD-CE 3.88Å; M331-M400 HydrophobicContact SD-SD 4.04Å; I365-M400 HydrophobicContact CG2-CB 4.08Å; C366-M400 PolarHBondContact O-N 2.87Å; C366-M400 VanDerWaalsContact O-N 3.12Å; A367-M400 HydrophobicContact CB-CB 4.09Å; A367-M400 HydrophobicContact CB-CE 3.55Å; A367-M400 HydrophobicContact CB-SD 4.25Å
401	L	98.8	Very high	98.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	134.5	168.5	-63	169.5	0	0	0	110.3	I92 T94 L371 E404 T405 A414 V415 M418	I92-L401 PolarHBondContact O-N 3.37Å; T94-L401 WeakPolarHBondContact CB-O 3.5Å; T94-L401 PolarHBondContact N-O 3.12Å; T94-L401 PolarHBondContact OG1-O 2.66Å; L371-L401 HydrophobicContact CB-CD2 4Å; L371-L401 HydrophobicContact CD1-CD2 3.84Å; L371-L401 HydrophobicContact CG-CD2 4.01Å; L401-E404 HydrophobicContact CB-CB 4.45Å; L401-E404 HydrophobicContact CD2-CB 4.06Å; L401-E404 HydrophobicContact CD2-CG 4.09Å; L401-T405 HydrophobicContact CB-CG2 3.78Å; L401-T405 HydrophobicContact CD1-CG2 3.61Å; L401-T405 HydrophobicContact CG-CG2 4.32Å; L401-A414 HydrophobicContact CD1-CB 4.04Å; L401-V415 HydrophobicContact CD1-CG2 3.99Å; L401-M418 HydrophobicContact CD1-CE 4.43Å; L401-M418 HydrophobicContact CD1-SD 3.95Å; L401-M418 HydrophobicContact CD2-CE 3.38Å; L401-M418 HydrophobicContact CD2-SD 4.01Å; L401-M418 HydrophobicContact CG-CE 3.66Å; L401-M418 HydrophobicContact CG-SD 3.64Å
402	S	97.9	Very high	98.2	Very high	20 Å²	20	22.8 Å²	22.8	14%	0.14	13%	0.128	C	C	.	.	S	Bend	trans	-111.1	-99	-179.3	-58.4	0	0	0	0	111	T94 E404 T405 A406	T94-S402 WeakPolarHBondContact OG1-CA 3.33Å; S402-E404 VanDerWaalsContact C-OE2 3.23Å; S402-E404 WeakPolarHBondContact CA-OE2 3.32Å; S402-E404 PolarHBondContact N-OE2 2.86Å; S402-E404 PolarHBondContact O-N 3.11Å; S402-T405 PolarHBondContact O-N 2.78Å; S402-A406 WeakPolarHBondContact O-CB 3.29Å; S402-A406 PolarHBondContact O-N 3.15Å; S402-A406 VanDerWaalsContact O-N 3.08Å
403	G	97	Very high	98.2	Very high	12 Å²	12	26.2 Å²	26.2	12%	0.124	14%	0.144	C	C	.	.	H	α-helix	trans	-62.2	-31.1	-179.1	0	0	0	0	0	112.9	T405 A406 K407 G408	G403-T405 PolarHBondContact O-N 3.33Å; G403-A406 PolarHBondContact O-N 2.95Å; G403-K407 WeakPolarHBondContact O-CG 3.46Å; G403-K407 PolarHBondContact O-N 3.37Å; G403-G408 PolarHBondContact O-N 3.15Å
404	E	98.5	Very high	98.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-56.4	-39.2	-177.9	-51.5	96.3	135.4	0	0	112.1	M370 L371 I375 L401 S402 A414	M370-E404 PolarHBondContact N-OE1 2.75Å; L371-E404 HydrophobicContact CB-CG 3.96Å; L371-E404 PolarHBondContact N-OE1 3.49Å; L371-E404 VanDerWaalsContact O-CG 3.23Å; L371-E404 WeakPolarHBondContact O-CG 3.44Å; I375-E404 HydrophobicContact CG1-CG 4.28Å; L401-E404 HydrophobicContact CB-CB 4.45Å; L401-E404 HydrophobicContact CD2-CB 4.06Å; L401-E404 HydrophobicContact CD2-CG 4.09Å; S402-E404 VanDerWaalsContact C-OE2 3.23Å; S402-E404 WeakPolarHBondContact CA-OE2 3.32Å; S402-E404 PolarHBondContact N-OE2 2.86Å; S402-E404 PolarHBondContact O-N 3.11Å; E404-A414 HydrophobicContact CB-CB 4.14Å
405	T	98.7	Very high	98.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-102.3	-26.4	-179.6	47.7	0	0	0	0	113.2	C93 T94 S99 M108 L401 S402 G403 P411 V415	C93-T405 HydrophobicContact CB-CG2 4.14Å; T94-T405 PolarHBondContact N-OG1 2.95Å; T94-T405 VanDerWaalsContact N-OG1 3.17Å; T94-T405 CarbonylContact O-C 3.53Å; T94-T405 PolarHBondContact O-OG1 2.69Å; T94-T405 VanDerWaalsContact O-OG1 3.1Å; S99-T405 WeakPolarHBondContact CB-O 3.4Å; S99-T405 PolarHBondContact OG-O 2.95Å; M108-T405 HydrophobicContact CE-CG2 3.73Å; L401-T405 HydrophobicContact CB-CG2 3.78Å; L401-T405 HydrophobicContact CD1-CG2 3.61Å; L401-T405 HydrophobicContact CG-CG2 4.32Å; S402-T405 PolarHBondContact O-N 2.78Å; G403-T405 PolarHBondContact O-N 3.33Å; T405-P411 HydrophobicContact CG2-CB 4.46Å; T405-V415 HydrophobicContact CG2-CG2 3.94Å
406	A	98.2	Very high	98.2	Very high	16 Å²	16	24.5 Å²	24.5	13%	0.132	13%	0.133	C	C	.	.	H	α-helix	trans	-77	-43.1	-179.1	0	0	0	0	0	112.9	T94 G96 P97 A98 S402 G403	T94-A406 HydrophobicContact CG2-CB 3.9Å; T94-A406 WeakPolarHBondContact O-CA 3.28Å; T94-A406 PolarHBondContact O-N 3.07Å; G96-A406 CarbonylContact C-O 3.52Å; G96-A406 WeakPolarHBondContact CA-O 3.46Å; P97-A406 VanDerWaalsContact CD-O 3.29Å; P97-A406 WeakPolarHBondContact CD-O 3.47Å; P97-A406 VanDerWaalsContact N-O 3.14Å; A98-A406 WeakPolarHBondContact CB-O 3.28Å; A98-A406 PolarHBondContact N-O 3.42Å; S402-A406 WeakPolarHBondContact O-CB 3.29Å; S402-A406 PolarHBondContact O-N 3.15Å; S402-A406 VanDerWaalsContact O-N 3.08Å; G403-A406 PolarHBondContact O-N 2.95Å
407	K	97.6	Very high	98.2	Very high	138 Å²	138	26.1 Å²	26.1	60%	0.6	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-134	-5.7	-171.9	65.9	177.7	-178.2	-176.9	0	114.4	G403	G403-K407 WeakPolarHBondContact O-CG 3.46Å; G403-K407 PolarHBondContact O-N 3.37Å
408	G	97.3	Very high	98.2	Very high	4 Å²	4	26 Å²	26	4%	0.041	14%	0.14	C	C	.	.			trans	-68.7	156.1	-177.4	0	0	0	0	0	113.7	A98 I375 G403 Y410	A98-G408 WeakPolarHBondContact CB-O 3.35Å; I375-G408 WeakPolarHBondContact O-CA 3.32Å; G403-G408 PolarHBondContact O-N 3.15Å; G408-Y410 VanDerWaalsContact C-N 3.31Å
409	A	98.2	Very high	98.1	Very high	71 Å²	71	26 Å²	26	59%	0.587	14%	0.141	S	C	*	.	S	Bend	trans	-74.8	-21	175	0	0	0	0	0	113	I375 P411	I375-A409 PolarHBondContact O-N 3.06Å; A409-P411 WeakPolarHBondContact O-CD 3.45Å
410	Y	98.4	Very high	97.9	Very high	70 Å²	70	28.7 Å²	28.7	28%	0.275	15%	0.153	S	C	.	.			trans	-124.5	52.9	-174.5	-56.7	-77	0	0	0	112.7	K377 P378 G408 L412 E413 A414	K377-Y410 VanDerWaalsContact O-CD2 3.27Å; K377-Y410 WeakPolarHBondContact O-CD2 3.24Å; P378-Y410 HydrophobicContact CB-CD1 4.01Å; P378-Y410 HydrophobicContact CB-CE1 3.7Å; P378-Y410 HydrophobicContact CB-CE2 4.24Å; P378-Y410 HydrophobicContact CB-CG 4.4Å; G408-Y410 VanDerWaalsContact C-N 3.31Å; Y410-L412 VanDerWaalsContact C-N 3.29Å; Y410-L412 PolarHBondContact O-N 2.87Å; Y410-E413 VanDerWaalsContact CA-OE2 3.3Å; Y410-E413 WeakPolarHBondContact CA-OE2 3.23Å; Y410-E413 PolarHBondContact O-N 3.14Å; Y410-A414 WeakPolarHBondContact O-CB 3.27Å; Y410-A414 PolarHBondContact O-N 2.71Å
411	P	98.3	Very high	97.8	Very high	6 Å²	6	29.5 Å²	29.5	4%	0.039	16%	0.157	C	C	.	.	H	α-helix	trans	-64.7	-34.3	-174.2	28.4	-35.6	0	0	0	112.2	A98 M104 T405 A409 V415	A98-P411 HydrophobicContact CB-CG 4.46Å; M104-P411 HydrophobicContact CE-CG 4.04Å; M104-P411 HydrophobicContact SD-CG 4.19Å; T405-P411 HydrophobicContact CG2-CB 4.46Å; A409-P411 WeakPolarHBondContact O-CD 3.45Å; P411-V415 WeakPolarHBondContact O-CG2 3.49Å; P411-V415 PolarHBondContact O-N 2.91Å
412	L	97.9	Very high	97.7	Very high	31 Å²	31	29.5 Å²	29.5	16%	0.162	16%	0.157	C	C	.	.	H	α-helix	trans	-73.4	-46.6	-179.6	-178.7	59.6	0	0	0	111.3	M104 K107 N111 Y410 A414 V415 Q416	M104-L412 HydrophobicContact SD-CB 4.28Å; K107-L412 HydrophobicContact CB-CD1 3.98Å; K107-L412 HydrophobicContact CB-CD2 4.23Å; K107-L412 HydrophobicContact CD-CD2 4.46Å; N111-L412 HydrophobicContact CB-CD1 3.95Å; Y410-L412 VanDerWaalsContact C-N 3.29Å; Y410-L412 PolarHBondContact O-N 2.87Å; L412-A414 VanDerWaalsContact C-N 3.27Å; L412-A414 PolarHBondContact O-N 3.35Å; L412-V415 PolarHBondContact O-N 3.17Å; L412-V415 VanDerWaalsContact O-N 3.15Å; L412-Q416 WeakPolarHBondContact O-CG 3.36Å; L412-Q416 PolarHBondContact O-N 3.48Å
413	E	98.2	Very high	97.6	Very high	72 Å²	72	29.9 Å²	29.9	34%	0.336	16%	0.155	S	C	.	.	H	α-helix	trans	-63.4	-36	179.4	-63.1	82	169.2	0	0	111.1	M374 Y410 Q416 I417	M374-E413 HydrophobicContact CE-CB 3.84Å; Y410-E413 VanDerWaalsContact CA-OE2 3.3Å; Y410-E413 WeakPolarHBondContact CA-OE2 3.23Å; Y410-E413 PolarHBondContact O-N 3.14Å; E413-Q416 PolarHBondContact O-N 3.33Å; E413-I417 WeakPolarHBondContact O-CG2 3.3Å; E413-I417 PolarHBondContact O-N 3.28Å
414	A	98.6	Very high	97.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.6	-44	173.5	0	0	0	0	0	111.8	L371 M374 L401 E404 Y410 L412 M418	L371-A414 HydrophobicContact CD1-CB 4.2Å; L371-A414 WeakPolarHBondContact CD1-O 3.48Å; M374-A414 HydrophobicContact CB-CB 4.5Å; M374-A414 HydrophobicContact CE-CB 4.32Å; M374-A414 HydrophobicContact SD-CB 4.47Å; L401-A414 HydrophobicContact CD1-CB 4.04Å; E404-A414 HydrophobicContact CB-CB 4.14Å; Y410-A414 WeakPolarHBondContact O-CB 3.27Å; Y410-A414 PolarHBondContact O-N 2.71Å; L412-A414 VanDerWaalsContact C-N 3.27Å; L412-A414 PolarHBondContact O-N 3.35Å; A414-M418 VanDerWaalsContact O-CB 3.24Å; A414-M418 WeakPolarHBondContact O-CB 3.21Å; A414-M418 PolarHBondContact O-N 3.48Å
415	V	98.2	Very high	97.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.5	-45.2	174.9	176.3	0	0	0	0	111.2	C93 M108 N111 L401 T405 P411 L412 M418 H419	C93-V415 VanDerWaalsContact SG-CG2 3.55Å; M108-V415 HydrophobicContact CE-CG2 3.86Å; M108-V415 HydrophobicContact CG-CG2 4.43Å; N111-V415 HydrophobicContact CB-CG1 4.38Å; L401-V415 HydrophobicContact CD1-CG2 3.99Å; T405-V415 HydrophobicContact CG2-CG2 3.94Å; P411-V415 WeakPolarHBondContact O-CG2 3.49Å; P411-V415 PolarHBondContact O-N 2.91Å; L412-V415 PolarHBondContact O-N 3.17Å; L412-V415 VanDerWaalsContact O-N 3.15Å; V415-M418 PolarHBondContact O-N 3.5Å; V415-H419 WeakPolarHBondContact O-CB 3.31Å; V415-H419 PolarHBondContact O-N 3.48Å
416	Q	97.2	Very high	97	Very high	72 Å²	72	34.2 Å²	34.2	34%	0.336	17%	0.173	S	C	.	.	H	α-helix	trans	-61.6	-47.4	-178.8	-74	173.3	-25.6	0	0	112.5	N111 L412 E413 H419 E420	N111-Q416 HydrophobicContact CB-CG 3.85Å; N111-Q416 WeakPolarHBondContact OD1-CG 3.5Å; N111-Q416 PolarHBondContact OD1-NE2 3Å; L412-Q416 WeakPolarHBondContact O-CG 3.36Å; L412-Q416 PolarHBondContact O-N 3.48Å; E413-Q416 PolarHBondContact O-N 3.33Å; Q416-H419 WeakPolarHBondContact O-CB 3.38Å; Q416-H419 PolarHBondContact O-N 2.56Å; Q416-E420 PolarHBondContact O-N 2.95Å; Q416-E420 VanDerWaalsContact O-N 3.14Å
417	I	97.6	Very high	96.6	Very high	33 Å²	33	35.3 Å²	35.3	17%	0.169	18%	0.182	C	C	.	.	H	α-helix	trans	-72.3	-35.2	-179.7	-164.7	59.3	0	0	0	111.7	L371 M374 P380 E413 H419 E420 I421	L371-I417 HydrophobicContact CD1-CG2 3.53Å; M374-I417 HydrophobicContact CE-CG2 4.11Å; M374-I417 HydrophobicContact SD-CG2 3.61Å; P380-I417 HydrophobicContact CG-CG1 4.09Å; E413-I417 WeakPolarHBondContact O-CG2 3.3Å; E413-I417 PolarHBondContact O-N 3.28Å; I417-H419 VanDerWaalsContact C-N 3.34Å; I417-E420 PolarHBondContact O-N 3.16Å; I417-I421 HydrophobicContact CG1-CD1 3.91Å; I417-I421 HydrophobicContact CG1-CG1 4.34Å; I417-I421 WeakPolarHBondContact O-CD1 3.41Å; I417-I421 VanDerWaalsContact O-CG1 3.26Å; I417-I421 WeakPolarHBondContact O-CG1 3.33Å; I417-I421 PolarHBondContact O-N 3.29Å
418	M	98.3	Very high	96.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.1	-43	173.4	-179.1	170.2	-88.7	0	0	111.3	I91 M370 L371 I388 V399 L401 A414 V415 E420 C422	I91-M418 HydrophobicContact CD1-CB 4.33Å; I91-M418 HydrophobicContact CD1-CG 3.97Å; I91-M418 HydrophobicContact CG1-CG 4.18Å; I91-M418 HydrophobicContact CG1-SD 4.31Å; I91-M418 HydrophobicContact CG2-SD 3.92Å; M370-M418 HydrophobicContact CB-CE 3.89Å; M370-M418 HydrophobicContact SD-CE 4.01Å; L371-M418 HydrophobicContact CD1-CB 4.14Å; I388-M418 HydrophobicContact CD1-CE 3.86Å; I388-M418 HydrophobicContact CG1-CE 4.19Å; V399-M418 HydrophobicContact CB-CE 4.16Å; V399-M418 HydrophobicContact CB-SD 4.11Å; V399-M418 HydrophobicContact CG2-CE 4.09Å; V399-M418 HydrophobicContact CG2-CG 3.72Å; V399-M418 HydrophobicContact CG2-SD 3.46Å; V399-M418 WeakPolarHBondContact CG2-SD 3.33Å; L401-M418 HydrophobicContact CD1-CE 4.43Å; L401-M418 HydrophobicContact CD1-SD 3.95Å; L401-M418 HydrophobicContact CD2-CE 3.38Å; L401-M418 HydrophobicContact CD2-SD 4.01Å; L401-M418 HydrophobicContact CG-CE 3.66Å; L401-M418 HydrophobicContact CG-SD 3.64Å; A414-M418 VanDerWaalsContact O-CB 3.24Å; A414-M418 WeakPolarHBondContact O-CB 3.21Å; A414-M418 PolarHBondContact O-N 3.48Å; V415-M418 PolarHBondContact O-N 3.5Å; M418-E420 VanDerWaalsContact C-N 3.31Å; M418-E420 PolarHBondContact O-N 3.38Å; M418-C422 WeakPolarHBondContact O-CB 3.35Å; M418-C422 PolarHBondContact O-N 3.38Å; M418-C422 PolarHBondContact O-SG 2.86Å
419	H	97.3	Very high	96.1	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-54.2	-48.2	172.6	169.2	91.4	0	0	0	111.4	T54 Y55 Q58 I91 V415 Q416 I417 C422 R423	T54-H419 PolarHBondContact OG1-NE2 3.11Å; Y55-H419 AromaticContact CD2-CE1 3.85Å; Y55-H419 AromaticContact CD2-ND1 3.99Å; Q58-H419 PolarHBondContact NE2-CE1 2.91Å; Q58-H419 VanDerWaalsContact NE2-CE1 3.31Å; I91-H419 HydrophobicContact CD1-CB 3.89Å; V415-H419 WeakPolarHBondContact O-CB 3.31Å; V415-H419 PolarHBondContact O-N 3.48Å; Q416-H419 WeakPolarHBondContact O-CB 3.38Å; Q416-H419 PolarHBondContact O-N 2.56Å; I417-H419 VanDerWaalsContact C-N 3.34Å; H419-C422 PolarHBondContact O-N 2.78Å; H419-R423 WeakPolarHBondContact NE2-CD 3.48Å; H419-R423 WeakPolarHBondContact O-CG 3.43Å; H419-R423 PolarHBondContact O-N 3.46Å; H419-R423 VanDerWaalsContact O-N 3.16Å
420	E	95.4	Very high	95.9	Very high	55 Å²	55	28 Å²	28	26%	0.257	14%	0.14	S	C	.	.	H	α-helix	trans	-74.2	-37.4	-175.2	-165.7	57.7	-176.4	0	0	113.6	I84 Q416 I417 M418 C422 R423 Q424	I84-E420 WeakPolarHBondContact CD1-OE1 3.39Å; Q416-E420 PolarHBondContact O-N 2.95Å; Q416-E420 VanDerWaalsContact O-N 3.14Å; I417-E420 PolarHBondContact O-N 3.16Å; M418-E420 VanDerWaalsContact C-N 3.31Å; M418-E420 PolarHBondContact O-N 3.38Å; E420-C422 VanDerWaalsContact C-N 3.32Å; E420-C422 PolarHBondContact O-N 2.91Å; E420-R423 PolarHBondContact O-N 3Å; E420-R423 IonicContact OE1-NH1 3.96Å; E420-R423 WeakPolarHBondContact OE2-CD 3.32Å; E420-R423 IonicContact OE2-CZ 3.22Å; E420-R423 IonicContact OE2-NE 2.67Å; E420-R423 IonicContact OE2-NH1 3.75Å; E420-R423 PolarHBondContact OE2-NH1 2.9Å; E420-Q424 VanDerWaalsContact O-CG 3.29Å; E420-Q424 WeakPolarHBondContact O-CG 3.3Å; E420-Q424 PolarHBondContact O-N 3.48Å
421	I	96.8	Very high	95.6	Very high	18 Å²	18	25 Å²	25	9%	0.092	13%	0.128	C	C	.	.	H	α-helix	trans	-61.9	-42.4	173.1	-64.7	159.7	0	0	0	110.6	I388 A389 I417 R423 Q424 A425	I388-I421 HydrophobicContact CB-CG2 3.8Å; I388-I421 HydrophobicContact CD1-CD1 3.94Å; I388-I421 HydrophobicContact CG2-CB 4.11Å; I388-I421 HydrophobicContact CG2-CG2 3.62Å; A389-I421 HydrophobicContact CB-CG2 4.03Å; I417-I421 HydrophobicContact CG1-CD1 3.91Å; I417-I421 HydrophobicContact CG1-CG1 4.34Å; I417-I421 WeakPolarHBondContact O-CD1 3.41Å; I417-I421 VanDerWaalsContact O-CG1 3.26Å; I417-I421 WeakPolarHBondContact O-CG1 3.33Å; I417-I421 PolarHBondContact O-N 3.29Å; I421-R423 VanDerWaalsContact C-N 3.34Å; I421-R423 PolarHBondContact O-N 3.07Å; I421-Q424 PolarHBondContact O-N 2.78Å; I421-A425 WeakPolarHBondContact O-CB 3.42Å; I421-A425 PolarHBondContact O-N 2.97Å
422	C	97.1	Very high	95.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.6	-46.1	177.6	-69.6	0	0	0	0	111.4	R87 V392 M418 H419 E420 Q424 A425 E426	R87-C422 HydrophobicContact CG-CB 4.01Å; V392-C422 HydrophobicContact CG2-CB 4.41Å; M418-C422 WeakPolarHBondContact O-CB 3.35Å; M418-C422 PolarHBondContact O-N 3.38Å; M418-C422 PolarHBondContact O-SG 2.86Å; H419-C422 PolarHBondContact O-N 2.78Å; E420-C422 VanDerWaalsContact C-N 3.32Å; E420-C422 PolarHBondContact O-N 2.91Å; C422-Q424 PolarHBondContact O-N 3.43Å; C422-A425 PolarHBondContact O-N 3.15Å; C422-E426 WeakPolarHBondContact O-CB 3.4Å; C422-E426 WeakPolarHBondContact O-CG 3.36Å; C422-E426 PolarHBondContact O-N 3.09Å
423	R	94.1	Very high	94.9	Very high	29 Å²	29	26.3 Å²	26.3	11%	0.109	14%	0.138	C	C	.	.	H	α-helix	trans	-62.6	-41.6	179.5	-71.4	178.6	69.8	-150.9	5	113.1	Q58 I84 P85 R87 H419 E420 I421 E426 A427	Q58-R423 VanDerWaalsContact NE2-CD 3.29Å; I84-R423 HydrophobicContact CG2-CB 3.4Å; I84-R423 VanDerWaalsContact CG2-CB 3.4Å; I84-R423 HydrophobicContact CG2-CG 4.37Å; I84-R423 PolarHBondContact O-NH2 3.18Å; P85-R423 PolarHBondContact O-NE 3.19Å; R87-R423 HydrophobicContact CB-CG 3.44Å; R87-R423 VanDerWaalsContact CB-CG 3.44Å; R87-R423 HydrophobicContact CG-CG 3.82Å; H419-R423 WeakPolarHBondContact NE2-CD 3.48Å; H419-R423 WeakPolarHBondContact O-CG 3.43Å; H419-R423 PolarHBondContact O-N 3.46Å; H419-R423 VanDerWaalsContact O-N 3.16Å; E420-R423 PolarHBondContact O-N 3Å; E420-R423 IonicContact OE1-NH1 3.96Å; E420-R423 WeakPolarHBondContact OE2-CD 3.32Å; E420-R423 IonicContact OE2-CZ 3.22Å; E420-R423 IonicContact OE2-NE 2.67Å; E420-R423 IonicContact OE2-NH1 3.75Å; E420-R423 PolarHBondContact OE2-NH1 2.9Å; I421-R423 VanDerWaalsContact C-N 3.34Å; I421-R423 PolarHBondContact O-N 3.07Å; R423-E426 PolarHBondContact O-N 3.19Å; R423-A427 PolarHBondContact O-N 2.94Å
424	Q	93.5	Very high	94.7	Very high	95 Å²	95	24.5 Å²	24.5	44%	0.444	13%	0.129	S	C	.	.	H	α-helix	trans	-63.9	-44.3	176	-70.3	-72.8	-3.3	0	0	111.5	E420 I421 C422 E426 A427 A428	E420-Q424 VanDerWaalsContact O-CG 3.29Å; E420-Q424 WeakPolarHBondContact O-CG 3.3Å; E420-Q424 PolarHBondContact O-N 3.48Å; I421-Q424 PolarHBondContact O-N 2.78Å; C422-Q424 PolarHBondContact O-N 3.43Å; Q424-E426 VanDerWaalsContact C-N 3.3Å; Q424-E426 PolarHBondContact O-N 3.41Å; Q424-A427 WeakPolarHBondContact O-CB 3.28Å; Q424-A427 PolarHBondContact O-N 2.68Å; Q424-A428 PolarHBondContact O-N 3.35Å; Q424-A428 VanDerWaalsContact O-N 3.16Å
425	A	95	Very high	94.6	Very high	5 Å²	5	25 Å²	25	4%	0.041	13%	0.13	C	C	.	.	H	α-helix	trans	-64.8	-34.6	176.3	0	0	0	0	0	112.6	A389 V392 L393 I421 C422 A428 Y429	A389-A425 HydrophobicContact CB-CB 4.08Å; V392-A425 HydrophobicContact CB-CB 3.81Å; V392-A425 HydrophobicContact CG1-CB 3.76Å; V392-A425 HydrophobicContact CG2-CB 4.5Å; L393-A425 WeakPolarHBondContact CD2-O 3.31Å; L393-A425 HydrophobicContact CG-CB 4.44Å; I421-A425 WeakPolarHBondContact O-CB 3.42Å; I421-A425 PolarHBondContact O-N 2.97Å; C422-A425 PolarHBondContact O-N 3.15Å; A425-A428 CarbonylContact O-C 3.43Å; A425-A428 PolarHBondContact O-N 2.86Å; A425-Y429 PolarHBondContact O-N 3.03Å
426	E	94	Very high	94.4	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.014	16%	0.155	C	C	.	.	H	α-helix	trans	-69.1	-35.1	174.9	-71.8	161.2	-169.7	0	0	112.8	P85 R87 K88 T89 V392 C422 R423 Q424 A428 Y429 Y507	P85-E426 HydrophobicContact CG-CB 4.23Å; R87-E426 VanDerWaalsContact CA-OE2 3.25Å; R87-E426 WeakPolarHBondContact CA-OE2 3.31Å; K88-E426 VanDerWaalsContact N-CD 3.25Å; K88-E426 PolarHBondContact N-OE1 2.94Å; K88-E426 VanDerWaalsContact N-OE1 3.07Å; K88-E426 PolarHBondContact N-OE2 2.93Å; T89-E426 VanDerWaalsContact CB-OE1 3.23Å; T89-E426 WeakPolarHBondContact CB-OE1 3.49Å; T89-E426 PolarHBondContact N-OE1 3.09Å; T89-E426 PolarHBondContact OG1-OE1 2.79Å; V392-E426 HydrophobicContact CG1-CG 3.88Å; C422-E426 WeakPolarHBondContact O-CB 3.4Å; C422-E426 WeakPolarHBondContact O-CG 3.36Å; C422-E426 PolarHBondContact O-N 3.09Å; R423-E426 PolarHBondContact O-N 3.19Å; Q424-E426 VanDerWaalsContact C-N 3.3Å; Q424-E426 PolarHBondContact O-N 3.41Å; E426-A428 VanDerWaalsContact C-N 3.27Å; E426-A428 PolarHBondContact O-N 3.46Å; E426-Y429 VanDerWaalsContact O-CB 3.31Å; E426-Y429 WeakPolarHBondContact O-CB 3.31Å; E426-Y429 PolarHBondContact O-N 3.32Å; E426-Y507 HydrophobicContact CG-CE2 4.11Å
427	A	90.3	Very high	94.3	Very high	38 Å²	38	31.8 Å²	31.8	31%	0.314	17%	0.165	S	C	.	.	H	α-helix	trans	-62.3	-39	171.4	0	0	0	0	0	111.3	P85 R423 Q424 Y429	P85-A427 HydrophobicContact CG-CB 4.01Å; R423-A427 PolarHBondContact O-N 2.94Å; Q424-A427 WeakPolarHBondContact O-CB 3.28Å; Q424-A427 PolarHBondContact O-N 2.68Å; A427-Y429 PolarHBondContact O-N 2.94Å
428	A	91.9	Very high	94.3	Very high	23 Å²	23	30.6 Å²	30.6	19%	0.19	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-0.6	178	0	0	0	0	0	114	H73 L77 L393 Q424 A425 E426	H73-A428 PolarHBondContact NE2-O 3.32Å; L77-A428 HydrophobicContact CD1-CB 4.23Å; L77-A428 HydrophobicContact CD2-CB 3.77Å; L393-A428 HydrophobicContact CD2-CB 4.32Å; Q424-A428 PolarHBondContact O-N 3.35Å; Q424-A428 VanDerWaalsContact O-N 3.16Å; A425-A428 CarbonylContact O-C 3.43Å; A425-A428 PolarHBondContact O-N 2.86Å; E426-A428 VanDerWaalsContact C-N 3.27Å; E426-A428 PolarHBondContact O-N 3.46Å
429	Y	92.6	Very high	94.2	Very high	11 Å²	11	32.3 Å²	32.3	4%	0.043	17%	0.168	C	C	.	.			trans	-77.5	125.3	-174.3	-163.3	-92.2	0	0	0	112.5	L393 A425 E426 A427 H431 F434 R485	L393-Y429 HydrophobicContact CD2-CD2 4.18Å; L393-Y429 VanDerWaalsContact O-CE2 3.3Å; L393-Y429 WeakPolarHBondContact O-CE2 3.42Å; A425-Y429 PolarHBondContact O-N 3.03Å; E426-Y429 VanDerWaalsContact O-CB 3.31Å; E426-Y429 WeakPolarHBondContact O-CB 3.31Å; E426-Y429 PolarHBondContact O-N 3.32Å; A427-Y429 PolarHBondContact O-N 2.94Å; Y429-H431 HydrophobicContact CD1-CB 4.46Å; Y429-H431 AromaticContact CD1-CD2 3.82Å; Y429-H431 AromaticContact CD1-CE1 3.64Å; Y429-H431 AromaticContact CD1-CG 3.73Å; Y429-H431 AromaticContact CD1-ND1 3.62Å; Y429-H431 AromaticContact CD1-NE2 3.79Å; Y429-H431 PolarHBondContact O-CD2 3.22Å; Y429-H431 VanDerWaalsContact O-CD2 3.3Å; Y429-H431 PolarHBondContact O-N 3.49Å; Y429-F434 HydrophobicContact CE1-CB 3.93Å; Y429-F434 HydrophobicContact CE1-CG 4.1Å; Y429-F434 WeakPolarHBondContact OH-CD2 3.45Å; Y429-F434 WeakPolarHBondContact OH-CE2 3.4Å; Y429-F434 VanDerWaalsContact OH-CG 3.25Å; Y429-F434 WeakPolarHBondContact OH-CG 3.46Å; Y429-R485 VanDerWaalsContact CE2-NH1 3.27Å; Y429-R485 WeakPolarHBondContact OH-CD 3.3Å
430	Y	93	Very high	94.2	Very high	26 Å²	26	36 Å²	36	10%	0.102	20%	0.199	C	C	.	.			trans	-85.6	76	-179.4	-167.7	-148.7	0	0	0	112.4	K67 K68 T69 L70 H73 N432 S433 F434	K67-Y430 HydrophobicContact CB-CE2 4.18Å; K67-Y430 PolarHBondContact O-OH 3.38Å; K68-Y430 VanDerWaalsContact C-OH 3.27Å; T69-Y430 PolarHBondContact N-OH 3.13Å; L70-Y430 HydrophobicContact CB-CD1 4.09Å; L70-Y430 HydrophobicContact CB-CE1 4.23Å; L70-Y430 HydrophobicContact CD1-CD1 3.9Å; L70-Y430 HydrophobicContact CD1-CG 4.49Å; H73-Y430 HydrophobicContact CB-CD1 4.27Å; H73-Y430 HydrophobicContact CB-CD2 4.04Å; H73-Y430 HydrophobicContact CB-CE1 4.47Å; H73-Y430 HydrophobicContact CB-CE2 4.25Å; H73-Y430 HydrophobicContact CB-CG 4.07Å; H73-Y430 AromaticContact CG-CD2 3.79Å; H73-Y430 AromaticContact CG-CG 3.81Å; H73-Y430 AromaticContact ND1-CD2 3.7Å; Y430-N432 VanDerWaalsContact C-N 3.34Å; Y430-N432 HydrophobicContact CD2-CB 4.38Å; Y430-N432 HydrophobicContact CE2-CB 3.85Å; Y430-N432 PolarHBondContact O-N 2.96Å; Y430-S433 PolarHBondContact O-N 3.23Å; Y430-F434 PolarHBondContact O-N 2.96Å
431	H	92.2	Very high	94.3	Very high	7 Å²	7	38.2 Å²	38.2	3%	0.032	21%	0.212	C	C	.	.	H	α-helix	trans	-55.4	-41.3	-175.2	-67.7	-88.4	0	0	0	113.8	Q65 Y429 S433 F434 F435 R485	Q65-H431 PolarHBondContact NE2-CD2 3.37Å; Y429-H431 HydrophobicContact CD1-CB 4.46Å; Y429-H431 AromaticContact CD1-CD2 3.82Å; Y429-H431 AromaticContact CD1-CE1 3.64Å; Y429-H431 AromaticContact CD1-CG 3.73Å; Y429-H431 AromaticContact CD1-ND1 3.62Å; Y429-H431 AromaticContact CD1-NE2 3.79Å; Y429-H431 PolarHBondContact O-CD2 3.22Å; Y429-H431 VanDerWaalsContact O-CD2 3.3Å; Y429-H431 PolarHBondContact O-N 3.49Å; H431-S433 PolarHBondContact O-N 2.87Å; H431-F434 PolarHBondContact O-N 2.9Å; H431-F435 WeakPolarHBondContact O-CB 3.44Å; H431-F435 PolarHBondContact O-N 3.29Å; H431-R485 PolarHBondContact ND1-O 3.26Å
432	N	90	Very high	94.3	Very high	32 Å²	32	37.9 Å²	37.9	17%	0.171	21%	0.21	C	C	.	.	H	α-helix	trans	-54.3	-47.9	178.3	-82.8	-14.2	0	0	0	113.5	Q65 Y430 N436 M461	Q65-N432 VanDerWaalsContact CB-ND2 3.31Å; Q65-N432 WeakPolarHBondContact CB-ND2 3.28Å; Q65-N432 PolarHBondContact O-ND2 3.38Å; Q65-N432 VanDerWaalsContact OE1-CG 3.3Å; Q65-N432 PolarHBondContact OE1-OD1 3.2Å; Y430-N432 VanDerWaalsContact C-N 3.34Å; Y430-N432 HydrophobicContact CD2-CB 4.38Å; Y430-N432 HydrophobicContact CE2-CB 3.85Å; Y430-N432 PolarHBondContact O-N 2.96Å; N432-N436 WeakPolarHBondContact O-CB 3.4Å; N432-N436 VanDerWaalsContact O-CG 3.29Å; N432-N436 PolarHBondContact O-N 3.24Å; N432-N436 PolarHBondContact O-ND2 3.16Å; N432-M461 HydrophobicContact CB-CE 4.48Å; N432-M461 WeakPolarHBondContact OD1-CE 3.48Å
433	S	92.3	Very high	94.2	Very high	33 Å²	33	42.9 Å²	42.9	23%	0.231	24%	0.243	C	C	.	.	H	α-helix	trans	-65.5	-49.7	180	-154.7	0	0	0	0	110.6	Y430 H431 F435 N436 E437	Y430-S433 PolarHBondContact O-N 3.23Å; H431-S433 PolarHBondContact O-N 2.87Å; S433-F435 PolarHBondContact O-N 3.42Å; S433-N436 PolarHBondContact O-N 3.5Å; S433-E437 WeakPolarHBondContact O-CB 3.4Å; S433-E437 WeakPolarHBondContact O-CG 3.48Å; S433-E437 PolarHBondContact O-N 3Å; S433-E437 PolarHBondContact OG-OE1 3.47Å
434	F	94.1	Very high	94.3	Very high	34 Å²	34	50.9 Å²	50.9	15%	0.149	27%	0.273	C	S	.	.	H	α-helix	trans	-58	-47.6	-178.2	-178.5	-91.5	0	0	0	112.1	K358 Y429 Y430 H431 N436 L438 R485	K358-F434 HydrophobicContact CB-CE2 4.34Å; K358-F434 HydrophobicContact CB-CZ 4.02Å; K358-F434 HydrophobicContact CD-CZ 4.1Å; K358-F434 HydrophobicContact CG-CE2 4.08Å; K358-F434 HydrophobicContact CG-CZ 3.92Å; Y429-F434 HydrophobicContact CE1-CB 3.93Å; Y429-F434 HydrophobicContact CE1-CG 4.1Å; Y429-F434 WeakPolarHBondContact OH-CD2 3.45Å; Y429-F434 WeakPolarHBondContact OH-CE2 3.4Å; Y429-F434 VanDerWaalsContact OH-CG 3.25Å; Y429-F434 WeakPolarHBondContact OH-CG 3.46Å; Y430-F434 PolarHBondContact O-N 2.96Å; H431-F434 PolarHBondContact O-N 2.9Å; F434-N436 PolarHBondContact O-N 2.6Å; F434-L438 HydrophobicContact CE1-CD2 4.05Å; F434-L438 HydrophobicContact CZ-CD2 4.41Å; F434-L438 WeakPolarHBondContact O-CB 3.31Å; F434-L438 PolarHBondContact O-N 3.1Å; F434-R485 HydrophobicContact CD1-CB 3.91Å; F434-R485 HydrophobicContact CD1-CG 4.15Å; F434-R485 HydrophobicContact CE1-CB 3.84Å; F434-R485 HydrophobicContact CE1-CG 3.62Å; F434-R485 HydrophobicContact CZ-CG 4.17Å
435	F	95.3	Very high	94.4	Very high	9 Å²	9	52.7 Å²	52.7	4%	0.039	29%	0.293	C	S	.	.	H	α-helix	trans	-60.5	-47.4	179.5	-179.6	-108.4	0	0	0	111.6	H431 S433 L438 L439 I454 T457 M461 Y484	H431-F435 WeakPolarHBondContact O-CB 3.44Å; H431-F435 PolarHBondContact O-N 3.29Å; S433-F435 PolarHBondContact O-N 3.42Å; F435-L438 PolarHBondContact O-N 3.36Å; F435-L439 HydrophobicContact CD1-CD1 3.82Å; F435-L439 HydrophobicContact CD1-CG 4.48Å; F435-L439 HydrophobicContact CE1-CD1 3.3Å; F435-L439 HydrophobicContact CE1-CG 4.19Å; F435-L439 HydrophobicContact CE2-CD1 4.22Å; F435-L439 HydrophobicContact CE2-CG 4.31Å; F435-L439 HydrophobicContact CG-CD1 4.48Å; F435-L439 HydrophobicContact CZ-CD1 3.53Å; F435-L439 HydrophobicContact CZ-CD2 4.37Å; F435-L439 HydrophobicContact CZ-CG 4.1Å; F435-L439 WeakPolarHBondContact O-CB 3.18Å; F435-L439 VanDerWaalsContact O-CG 3.31Å; F435-L439 WeakPolarHBondContact O-CG 3.43Å; F435-L439 PolarHBondContact O-N 3.23Å; F435-I454 HydrophobicContact CZ-CG2 4.29Å; F435-T457 HydrophobicContact CD2-CG2 3.67Å; F435-T457 HydrophobicContact CE2-CG2 3.58Å; F435-T457 HydrophobicContact CZ-CG2 4.39Å; F435-M461 HydrophobicContact CB-CE 4.15Å; F435-M461 HydrophobicContact CB-SD 4.09Å; F435-M461 HydrophobicContact CD1-CE 4.25Å; F435-M461 HydrophobicContact CD1-SD 3.91Å; F435-M461 HydrophobicContact CD2-SD 4.33Å; F435-M461 HydrophobicContact CE1-SD 4.4Å; F435-M461 HydrophobicContact CG-CE 4.36Å; F435-M461 HydrophobicContact CG-SD 3.85Å; F435-Y484 AromaticContact CD2-CD1 3.79Å; F435-Y484 HydrophobicContact CD2-CD1 3.79Å; F435-Y484 HydrophobicContact CD2-CG 4.26Å; F435-Y484 AromaticContact CE2-CD1 3.64Å; F435-Y484 HydrophobicContact CE2-CD1 3.64Å; F435-Y484 AromaticContact CE2-CG 4Å; F435-Y484 HydrophobicContact CE2-CG 4Å
436	N	94.7	Very high	94.5	Very high	96 Å²	96	54.2 Å²	54.2	51%	0.513	30%	0.302	S	S	.	.	H	α-helix	trans	-66.8	-42.8	-179.1	-73.3	-34.6	0	0	0	112.8	N432 S433 F434 L439 A440	N432-N436 WeakPolarHBondContact O-CB 3.4Å; N432-N436 VanDerWaalsContact O-CG 3.29Å; N432-N436 PolarHBondContact O-N 3.24Å; N432-N436 PolarHBondContact O-ND2 3.16Å; S433-N436 PolarHBondContact O-N 3.5Å; F434-N436 PolarHBondContact O-N 2.6Å; N436-L439 PolarHBondContact O-N 3.18Å; N436-A440 PolarHBondContact O-N 2.89Å
437	E	95.9	Very high	94.6	Very high	119 Å²	119	58 Å²	58	56%	0.556	32%	0.322	S	S	*	.	H	α-helix	trans	-61.4	-44.8	176.1	-73.7	172.3	-137	0	0	111.3	S433 L439 A440 I441	S433-E437 WeakPolarHBondContact O-CB 3.4Å; S433-E437 WeakPolarHBondContact O-CG 3.48Å; S433-E437 PolarHBondContact O-N 3Å; S433-E437 PolarHBondContact OG-OE1 3.47Å; E437-L439 VanDerWaalsContact C-N 3.34Å; E437-L439 PolarHBondContact O-N 3.13Å; E437-A440 WeakPolarHBondContact O-CB 3.47Å; E437-A440 PolarHBondContact O-N 2.96Å; E437-I441 PolarHBondContact O-N 2.89Å
438	L	96.6	Very high	94.8	Very high	9 Å²	9	59 Å²	59	5%	0.047	33%	0.331	C	S	.	.	H	α-helix	trans	-64.6	-38.1	177.3	-173.7	60.1	0	0	0	112	F434 F435 A440 I441 T442 K483 Y484	F434-L438 HydrophobicContact CE1-CD2 4.05Å; F434-L438 HydrophobicContact CZ-CD2 4.41Å; F434-L438 WeakPolarHBondContact O-CB 3.31Å; F434-L438 PolarHBondContact O-N 3.1Å; F435-L438 PolarHBondContact O-N 3.36Å; L438-A440 VanDerWaalsContact C-N 3.33Å; L438-I441 HydrophobicContact CD1-CD1 4.46Å; L438-I441 HydrophobicContact CD1-CG1 4.48Å; L438-I441 WeakPolarHBondContact O-CG1 3.41Å; L438-I441 PolarHBondContact O-N 3.1Å; L438-T442 WeakPolarHBondContact O-CB 3.4Å; L438-T442 PolarHBondContact O-N 3.37Å; L438-T442 PolarHBondContact O-OG1 3.49Å; L438-K483 HydrophobicContact CD2-CG 3.96Å; L438-K483 WeakPolarHBondContact CD2-O 3.34Å; L438-Y484 HydrophobicContact CD2-CD1 3.79Å; L438-Y484 HydrophobicContact CD2-CE1 3.91Å; L438-Y484 HydrophobicContact CD2-CG 4.43Å; L438-Y484 HydrophobicContact CG-CD1 4.29Å; L438-Y484 HydrophobicContact CG-CE1 3.99Å
439	L	96.7	Very high	95.1	Very high	35 Å²	35	58.7 Å²	58.7	18%	0.183	33%	0.328	C	S	.	.	H	α-helix	trans	-65.6	-33.3	174.5	-76.3	-178.5	0	0	0	113.5	F435 N436 E437 I441 R444 I454 Y484	F435-L439 HydrophobicContact CD1-CD1 3.82Å; F435-L439 HydrophobicContact CD1-CG 4.48Å; F435-L439 HydrophobicContact CE1-CD1 3.3Å; F435-L439 HydrophobicContact CE1-CG 4.19Å; F435-L439 HydrophobicContact CE2-CD1 4.22Å; F435-L439 HydrophobicContact CE2-CG 4.31Å; F435-L439 HydrophobicContact CG-CD1 4.48Å; F435-L439 HydrophobicContact CZ-CD1 3.53Å; F435-L439 HydrophobicContact CZ-CD2 4.37Å; F435-L439 HydrophobicContact CZ-CG 4.1Å; F435-L439 WeakPolarHBondContact O-CB 3.18Å; F435-L439 VanDerWaalsContact O-CG 3.31Å; F435-L439 WeakPolarHBondContact O-CG 3.43Å; F435-L439 PolarHBondContact O-N 3.23Å; N436-L439 PolarHBondContact O-N 3.18Å; E437-L439 VanDerWaalsContact C-N 3.34Å; E437-L439 PolarHBondContact O-N 3.13Å; L439-I441 VanDerWaalsContact C-N 3.31Å; L439-I441 PolarHBondContact O-N 3.44Å; L439-R444 PolarHBondContact O-NH2 3.33Å; L439-I454 HydrophobicContact CD2-CB 4.41Å; L439-I454 HydrophobicContact CD2-CD1 4.03Å; L439-I454 HydrophobicContact CD2-CG1 3.95Å; L439-I454 HydrophobicContact CD2-CG2 3.6Å; L439-Y484 HydrophobicContact CD2-CD1 4.31Å; L439-Y484 HydrophobicContact CD2-CE1 3.68Å; L439-Y484 HydrophobicContact CG-CE1 4.32Å
440	A	97.4	Very high	95.3	Very high	79 Å²	79	59.3 Å²	59.3	65%	0.653	33%	0.331	S	S	*	.	H	α-helix	trans	-65.9	-34.6	179.4	0	0	0	0	0	112.2	N436 E437 L438	N436-A440 PolarHBondContact O-N 2.89Å; E437-A440 WeakPolarHBondContact O-CB 3.47Å; E437-A440 PolarHBondContact O-N 2.96Å; L438-A440 VanDerWaalsContact C-N 3.33Å
441	I	97	Very high	95.5	Very high	102 Å²	102	61.1 Å²	61.1	52%	0.523	35%	0.345	S	S	.	.	H	α-helix	trans	-100.2	-3.5	-179.3	65.9	178.2	0	0	0	113.9	V359 E437 L438 L439 P443	V359-I441 HydrophobicContact CG1-CD1 4.34Å; V359-I441 HydrophobicContact CG2-CD1 3.57Å; E437-I441 PolarHBondContact O-N 2.89Å; L438-I441 HydrophobicContact CD1-CD1 4.46Å; L438-I441 HydrophobicContact CD1-CG1 4.48Å; L438-I441 WeakPolarHBondContact O-CG1 3.41Å; L438-I441 PolarHBondContact O-N 3.1Å; L439-I441 VanDerWaalsContact C-N 3.31Å; L439-I441 PolarHBondContact O-N 3.44Å; I441-P443 VanDerWaalsContact O-CD 3.29Å; I441-P443 WeakPolarHBondContact O-CD 3.33Å
442	T	97	Very high	95.8	Very high	10 Å²	10	61.6 Å²	61.6	6%	0.061	35%	0.348	C	S	.	.	S	Bend	trans	-68.9	121	177.4	-68.6	0	0	0	0	110	L438 T446 Y484	L438-T442 WeakPolarHBondContact O-CB 3.4Å; L438-T442 PolarHBondContact O-N 3.37Å; L438-T442 PolarHBondContact O-OG1 3.49Å; T442-T446 HydrophobicContact CG2-CG2 3.87Å; T442-Y484 WeakPolarHBondContact CG2-OH 3.32Å; T442-Y484 PolarHBondContact OG1-OH 3.45Å
443	P	95.2	Very high	96.2	Very high	106 Å²	106	60 Å²	60	69%	0.688	34%	0.34	S	S	*	.			trans	-60.7	140.8	176.8	-23.9	34.9	0	0	0	112.6	I441 T446	I441-P443 VanDerWaalsContact O-CD 3.29Å; I441-P443 WeakPolarHBondContact O-CD 3.33Å; P443-T446 WeakPolarHBondContact O-CG2 3.2Å
444	R	95	Very high	96.4	Very high	197 Å²	197	60 Å²	60	74%	0.743	34%	0.337	S	S	*	.	S	Bend	trans	-122.2	145.8	-179.3	-57	178.4	-167.6	-178.8	2.4	110.2	L439	L439-R444 PolarHBondContact O-NH2 3.33Å
445	P	96.3	Very high	96.6	Very high	133 Å²	133	60.3 Å²	60.3	86%	0.864	35%	0.346	S	S	*	.	S	Bend	cis	-76.8	149.1	0.9	32.2	-35.5	0	0	0	113.3
446	T	96.6	Very high	96.7	Very high	37 Å²	37	59.9 Å²	59.9	23%	0.227	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-89.1	151.6	171.2	50.6	0	0	0	0	111	T442 P443 H450 T451 I454	T442-T446 HydrophobicContact CG2-CG2 3.87Å; P443-T446 WeakPolarHBondContact O-CG2 3.2Å; T446-H450 VanDerWaalsContact CG2-ND1 3.32Å; T446-H450 WeakPolarHBondContact CG2-ND1 3.26Å; T446-T451 PolarHBondContact O-OG1 3.42Å; T446-T451 PolarHBondContact OG1-OG1 3.41Å; T446-I454 HydrophobicContact CG2-CD1 4.3Å
447	N	95.8	Very high	96.9	Very high	81 Å²	81	55.3 Å²	55.3	43%	0.433	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-72	166.3	172.1	67.5	52.6	0	0	0	111.8	A449 H450 T451	N447-A449 PolarHBondContact O-N 2.88Å; N447-A449 PolarHBondContact OD1-N 3.42Å; N447-H450 PolarHBondContact O-N 2.9Å; N447-H450 VanDerWaalsContact O-N 3.11Å; N447-H450 WeakPolarHBondContact OD1-CB 3.28Å; N447-H450 PolarHBondContact OD1-N 2.84Å; N447-T451 PolarHBondContact O-N 3.36Å; N447-T451 PolarHBondContact O-OG1 3.39Å; N447-T451 VanDerWaalsContact O-OG1 3.05Å
448	A	96.2	Very high	96.9	Very high	61 Å²	61	51.9 Å²	51.9	50%	0.504	31%	0.309	S	S	.	.	H	α-helix	trans	-53.2	-48.6	-174.3	0	0	0	0	0	114.3	H450 T451 V452	A448-H450 VanDerWaalsContact C-N 3.32Å; A448-H450 PolarHBondContact O-N 2.81Å; A448-T451 PolarHBondContact O-N 2.87Å; A448-V452 WeakPolarHBondContact O-CG2 3.23Å; A448-V452 PolarHBondContact O-N 3.2Å
449	A	96.6	Very high	96.9	Very high	15 Å²	15	52.2 Å²	52.2	12%	0.124	31%	0.313	C	S	.	.	H	α-helix	trans	-64.5	-38	-179.5	0	0	0	0	0	112.1	N447 A453 L480	N447-A449 PolarHBondContact O-N 2.88Å; N447-A449 PolarHBondContact OD1-N 3.42Å; A449-A453 WeakPolarHBondContact O-CB 3.38Å; A449-A453 PolarHBondContact O-N 2.84Å; A449-L480 HydrophobicContact CB-CD1 4.14Å
450	H	97.1	Very high	96.9	Very high	24 Å²	24	50.6 Å²	50.6	11%	0.111	30%	0.304	C	S	.	.	H	α-helix	trans	-69.3	-42.3	176.9	-168.7	-168.1	0	0	0	111.5	T446 N447 A448 A453 I454 L480 Y484	T446-H450 VanDerWaalsContact CG2-ND1 3.32Å; T446-H450 WeakPolarHBondContact CG2-ND1 3.26Å; N447-H450 PolarHBondContact O-N 2.9Å; N447-H450 VanDerWaalsContact O-N 3.11Å; N447-H450 WeakPolarHBondContact OD1-CB 3.28Å; N447-H450 PolarHBondContact OD1-N 2.84Å; A448-H450 VanDerWaalsContact C-N 3.32Å; A448-H450 PolarHBondContact O-N 2.81Å; H450-A453 WeakPolarHBondContact O-CB 3.48Å; H450-A453 PolarHBondContact O-N 3.1Å; H450-I454 WeakPolarHBondContact O-CG1 3.04Å; H450-I454 PolarHBondContact O-N 3.17Å; H450-I454 VanDerWaalsContact O-N 3.08Å; H450-L480 HydrophobicContact CB-CD1 4.46Å; H450-L480 HydrophobicContact CB-CD2 4.49Å; H450-Y484 AromaticContact CD2-CE2 3.72Å; H450-Y484 AromaticContact NE2-CE2 3.56Å; H450-Y484 AromaticContact NE2-CZ 3.67Å; H450-Y484 PolarHBondContact NE2-OH 2.98Å
451	T	97.8	Very high	96.6	Very high	64 Å²	64	47.6 Å²	47.6	39%	0.393	28%	0.277	S	S	.	.	H	α-helix	trans	-61.1	-43.7	174	-55.6	0	0	0	0	111.7	T446 N447 A448 A453 I454 A455	T446-T451 PolarHBondContact O-OG1 3.42Å; T446-T451 PolarHBondContact OG1-OG1 3.41Å; N447-T451 PolarHBondContact O-N 3.36Å; N447-T451 PolarHBondContact O-OG1 3.39Å; N447-T451 VanDerWaalsContact O-OG1 3.05Å; A448-T451 PolarHBondContact O-N 2.87Å; T451-A453 VanDerWaalsContact C-N 3.32Å; T451-A453 PolarHBondContact O-N 3.48Å; T451-I454 PolarHBondContact O-N 3.18Å; T451-A455 WeakPolarHBondContact O-CB 3.28Å; T451-A455 PolarHBondContact O-N 3.07Å
452	V	97.9	Very high	96.5	Very high	17 Å²	17	49.5 Å²	49.5	10%	0.103	29%	0.286	C	S	.	.	H	α-helix	trans	-64.8	-36.4	176	168.7	0	0	0	0	111.6	A448 A455 A456 V552 T562 M565	A448-V452 WeakPolarHBondContact O-CG2 3.23Å; A448-V452 PolarHBondContact O-N 3.2Å; V452-A455 PolarHBondContact O-N 3.29Å; V452-A456 WeakPolarHBondContact O-CB 3.46Å; V452-A456 PolarHBondContact O-N 2.93Å; V452-V552 HydrophobicContact CG1-CG1 3.79Å; V452-V552 HydrophobicContact CG1-CG2 4.46Å; V452-T562 HydrophobicContact CG1-CG2 4.23Å; V452-M565 HydrophobicContact CG1-CB 4.37Å
453	A	97.9	Very high	96.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-43.2	175.4	0	0	0	0	0	112.4	A449 H450 T451 A456 T457 L480 V481	A449-A453 WeakPolarHBondContact O-CB 3.38Å; A449-A453 PolarHBondContact O-N 2.84Å; H450-A453 WeakPolarHBondContact O-CB 3.48Å; H450-A453 PolarHBondContact O-N 3.1Å; T451-A453 VanDerWaalsContact C-N 3.32Å; T451-A453 PolarHBondContact O-N 3.48Å; A453-A456 PolarHBondContact O-N 3.43Å; A453-T457 PolarHBondContact O-N 2.72Å; A453-T457 VanDerWaalsContact O-N 3.08Å; A453-T457 PolarHBondContact O-OG1 2.65Å; A453-L480 HydrophobicContact CB-CB 3.72Å; A453-V481 HydrophobicContact CB-CG2 3.76Å
454	I	97.9	Very high	96.1	Very high	33 Å²	33	48.3 Å²	48.3	17%	0.169	28%	0.276	C	S	.	.	H	α-helix	trans	-59	-50.7	172.9	-68.3	165.2	0	0	0	110.6	F435 L439 T446 H450 T451 A456 T457 S458 Y484	F435-I454 HydrophobicContact CZ-CG2 4.29Å; L439-I454 HydrophobicContact CD2-CB 4.41Å; L439-I454 HydrophobicContact CD2-CD1 4.03Å; L439-I454 HydrophobicContact CD2-CG1 3.95Å; L439-I454 HydrophobicContact CD2-CG2 3.6Å; T446-I454 HydrophobicContact CG2-CD1 4.3Å; H450-I454 WeakPolarHBondContact O-CG1 3.04Å; H450-I454 PolarHBondContact O-N 3.17Å; H450-I454 VanDerWaalsContact O-N 3.08Å; T451-I454 PolarHBondContact O-N 3.18Å; I454-A456 VanDerWaalsContact C-N 3.33Å; I454-A456 PolarHBondContact O-N 3.23Å; I454-T457 PolarHBondContact O-N 3.49Å; I454-S458 WeakPolarHBondContact O-CB 3.32Å; I454-S458 PolarHBondContact O-N 3.09Å; I454-Y484 HydrophobicContact CD1-CE1 4.49Å; I454-Y484 HydrophobicContact CD1-CE2 4.28Å; I454-Y484 WeakPolarHBondContact CD1-OH 3.32Å; I454-Y484 HydrophobicContact CG1-CD1 4.41Å; I454-Y484 HydrophobicContact CG1-CD2 4.07Å; I454-Y484 HydrophobicContact CG1-CE1 3.81Å; I454-Y484 HydrophobicContact CG1-CE2 3.41Å; I454-Y484 VanDerWaalsContact CG1-CE2 3.41Å; I454-Y484 WeakPolarHBondContact CG1-OH 3.15Å
455	A	98	Very high	96.1	Very high	40 Å²	40	39.1 Å²	39.1	33%	0.331	24%	0.241	S	C	.	.	H	α-helix	trans	-62.9	-40.2	-177.9	0	0	0	0	0	111.8	T451 V452 S458 A459 M565	T451-A455 WeakPolarHBondContact O-CB 3.28Å; T451-A455 PolarHBondContact O-N 3.07Å; V452-A455 PolarHBondContact O-N 3.29Å; A455-S458 PolarHBondContact O-N 3.25Å; A455-A459 VanDerWaalsContact O-CB 3.25Å; A455-A459 WeakPolarHBondContact O-CB 3.27Å; A455-A459 PolarHBondContact O-N 2.96Å; A455-M565 VanDerWaalsContact C-SD 3.53Å; A455-M565 HydrophobicContact CB-SD 4Å
456	A	98.2	Very high	96	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.8	-45	178.2	0	0	0	0	0	111.9	V452 A453 I454 A459 A460 V550 V552 M565	V452-A456 WeakPolarHBondContact O-CB 3.46Å; V452-A456 PolarHBondContact O-N 2.93Å; A453-A456 PolarHBondContact O-N 3.43Å; I454-A456 VanDerWaalsContact C-N 3.33Å; I454-A456 PolarHBondContact O-N 3.23Å; A456-A459 PolarHBondContact O-N 2.99Å; A456-A460 WeakPolarHBondContact O-CB 3.33Å; A456-A460 PolarHBondContact O-N 2.9Å; A456-V550 HydrophobicContact CB-CG1 3.9Å; A456-V552 HydrophobicContact CB-CG2 3.58Å; A456-M565 VanDerWaalsContact CA-SD 3.55Å; A456-M565 HydrophobicContact CB-CG 4.44Å; A456-M565 HydrophobicContact CB-SD 4.21Å
457	T	97	Very high	96	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.5	-44.1	175.6	-60.6	0	0	0	0	111.4	F435 A453 I454 A459 A460 M461 P486	F435-T457 HydrophobicContact CD2-CG2 3.67Å; F435-T457 HydrophobicContact CE2-CG2 3.58Å; F435-T457 HydrophobicContact CZ-CG2 4.39Å; A453-T457 PolarHBondContact O-N 2.72Å; A453-T457 VanDerWaalsContact O-N 3.08Å; A453-T457 PolarHBondContact O-OG1 2.65Å; I454-T457 PolarHBondContact O-N 3.49Å; T457-A459 PolarHBondContact O-N 3.29Å; T457-A460 PolarHBondContact O-N 2.68Å; T457-M461 HydrophobicContact CG2-SD 4.05Å; T457-M461 WeakPolarHBondContact O-CG 3.19Å; T457-M461 PolarHBondContact O-N 3.1Å; T457-P486 HydrophobicContact CG2-CB 4.04Å
458	S	96.6	Very high	96.1	Very high	46 Å²	46	27.2 Å²	27.2	32%	0.322	17%	0.169	S	C	.	.	H	α-helix	trans	-60.5	-46.2	175.6	178.4	0	0	0	0	111.8	I454 A455 A460 M461 M462	I454-S458 WeakPolarHBondContact O-CB 3.32Å; I454-S458 PolarHBondContact O-N 3.09Å; A455-S458 PolarHBondContact O-N 3.25Å; S458-A460 VanDerWaalsContact C-N 3.35Å; S458-A460 PolarHBondContact O-N 3.25Å; S458-M461 PolarHBondContact O-N 2.97Å; S458-M462 VanDerWaalsContact O-CG 3.28Å; S458-M462 WeakPolarHBondContact O-CG 3.43Å; S458-M462 PolarHBondContact O-N 3.08Å
459	A	97.1	Very high	96.2	Very high	17 Å²	17	24.3 Å²	24.3	14%	0.14	15%	0.145	C	C	.	.	H	α-helix	trans	-60.3	-45.5	177.3	0	0	0	0	0	111	A455 A456 T457 M461 M462 C463 V550 M565 V567	A455-A459 VanDerWaalsContact O-CB 3.25Å; A455-A459 WeakPolarHBondContact O-CB 3.27Å; A455-A459 PolarHBondContact O-N 2.96Å; A456-A459 PolarHBondContact O-N 2.99Å; T457-A459 PolarHBondContact O-N 3.29Å; A459-M461 VanDerWaalsContact C-N 3.29Å; A459-M461 PolarHBondContact O-N 2.98Å; A459-M462 PolarHBondContact O-N 3.41Å; A459-M462 VanDerWaalsContact O-N 3.13Å; A459-C463 PolarHBondContact O-N 3.4Å; A459-C463 PolarHBondContact O-SG 3.48Å; A459-V550 HydrophobicContact CB-CG2 4.04Å; A459-M565 HydrophobicContact CB-CE 4.14Å; A459-M565 HydrophobicContact CB-SD 3.95Å; A459-V567 HydrophobicContact CB-CG2 4.26Å
460	A	95.6	Very high	96.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.8	-38.6	178.4	0	0	0	0	0	112.5	A456 T457 S458 N464 A465 I468 V550	A456-A460 WeakPolarHBondContact O-CB 3.33Å; A456-A460 PolarHBondContact O-N 2.9Å; T457-A460 PolarHBondContact O-N 2.68Å; S458-A460 VanDerWaalsContact C-N 3.35Å; S458-A460 PolarHBondContact O-N 3.25Å; A460-N464 CarbonylContact O-C 3.57Å; A460-N464 WeakPolarHBondContact O-CA 3.47Å; A460-N464 PolarHBondContact O-N 2.87Å; A460-A465 HydrophobicContact CB-CB 3.99Å; A460-A465 PolarHBondContact O-N 3.21Å; A460-I468 HydrophobicContact CB-CD1 4.01Å; A460-I468 HydrophobicContact CB-CG1 4.03Å; A460-V550 HydrophobicContact CB-CG2 3.99Å
461	M	92.8	Very high	96.3	Very high	17 Å²	17	23 Å²	23	8%	0.084	14%	0.138	C	C	.	.	H	α-helix	trans	-69.6	-40.7	174.4	-67.3	169	70.3	0	0	112.1	N432 F435 T457 S458 A459 N464 P487	N432-M461 HydrophobicContact CB-CE 4.48Å; N432-M461 WeakPolarHBondContact OD1-CE 3.48Å; F435-M461 HydrophobicContact CB-CE 4.15Å; F435-M461 HydrophobicContact CB-SD 4.09Å; F435-M461 HydrophobicContact CD1-CE 4.25Å; F435-M461 HydrophobicContact CD1-SD 3.91Å; F435-M461 HydrophobicContact CD2-SD 4.33Å; F435-M461 HydrophobicContact CE1-SD 4.4Å; F435-M461 HydrophobicContact CG-CE 4.36Å; F435-M461 HydrophobicContact CG-SD 3.85Å; T457-M461 HydrophobicContact CG2-SD 4.05Å; T457-M461 WeakPolarHBondContact O-CG 3.19Å; T457-M461 PolarHBondContact O-N 3.1Å; S458-M461 PolarHBondContact O-N 2.97Å; A459-M461 VanDerWaalsContact C-N 3.29Å; A459-M461 PolarHBondContact O-N 2.98Å; M461-N464 PolarHBondContact O-OD1 3.03Å; M461-P487 HydrophobicContact CG-CG 3.86Å
462	M	93	Very high	96.1	Very high	142 Å²	142	20.4 Å²	20.4	70%	0.7	12%	0.122	S	C	*	.	H	α-helix	trans	-72.5	-38.1	-177	-68.7	-62	101.5	0	0	113.4	S458 A459	S458-M462 VanDerWaalsContact O-CG 3.28Å; S458-M462 WeakPolarHBondContact O-CG 3.43Å; S458-M462 PolarHBondContact O-N 3.08Å; A459-M462 PolarHBondContact O-N 3.41Å; A459-M462 VanDerWaalsContact O-N 3.13Å
463	C	93.2	Very high	96	Very high	37 Å²	37	22.6 Å²	22.6	25%	0.25	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	6.1	178.2	69.7	0	0	0	0	113.7	A459 A465 M548	A459-C463 PolarHBondContact O-N 3.4Å; A459-C463 PolarHBondContact O-SG 3.48Å; C463-A465 VanDerWaalsContact C-N 3.27Å; C463-A465 PolarHBondContact O-N 2.93Å; C463-M548 HydrophobicContact CB-CB 4.26Å; C463-M548 HydrophobicContact CB-CG 4.36Å
464	N	92.2	Very high	95.8	Very high	54 Å²	54	25.9 Å²	25.9	29%	0.289	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	47.3	-173.7	-57.9	-47.6	0	0	0	112.1	G62 T63 A460 M461 S466	G62-N464 WeakPolarHBondContact CA-O 3.42Å; T63-N464 PolarHBondContact O-OD1 3.36Å; A460-N464 CarbonylContact O-C 3.57Å; A460-N464 WeakPolarHBondContact O-CA 3.47Å; A460-N464 PolarHBondContact O-N 2.87Å; M461-N464 PolarHBondContact O-OD1 3.03Å; N464-S466 PolarHBondContact O-N 2.78Å
465	A	94.5	Very high	95.7	Very high	3 Å²	3	24.6 Å²	24.6	3%	0.025	15%	0.15	C	C	.	.			trans	-60.5	138.2	-174.7	0	0	0	0	0	111.8	A460 C463 A467 C488 M548 V550	A460-A465 HydrophobicContact CB-CB 3.99Å; A460-A465 PolarHBondContact O-N 3.21Å; C463-A465 VanDerWaalsContact C-N 3.27Å; C463-A465 PolarHBondContact O-N 2.93Å; A465-A467 VanDerWaalsContact C-N 3.34Å; A465-C488 WeakPolarHBondContact O-CB 3.48Å; A465-C488 PolarHBondContact O-SG 3.13Å; A465-C488 VanDerWaalsContact O-SG 3.41Å; A465-M548 CarbonylContact C-O 3.49Å; A465-M548 WeakPolarHBondContact CA-O 3.43Å; A465-M548 WeakPolarHBondContact CB-O 3.46Å; A465-V550 HydrophobicContact CB-CG2 4.12Å
466	S	93.8	Very high	95.6	Very high	2 Å²	2	30 Å²	30	1%	0.014	16%	0.162	C	C	.	.	S	Bend	trans	-73.2	-27.8	175	-64.2	0	0	0	0	112.2	Q60 N464 C488 D547 M548	Q60-S466 PolarHBondContact NE2-O 3.45Å; N464-S466 PolarHBondContact O-N 2.78Å; S466-C488 WeakPolarHBondContact O-CB 3.37Å; S466-D547 WeakPolarHBondContact CB-OD2 3.48Å; S466-D547 WeakPolarHBondContact OG-CB 3.48Å; S466-D547 PolarHBondContact OG-OD2 2.98Å; S466-M548 PolarHBondContact N-O 2.9Å
467	A	96.3	Very high	95.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	157.9	174.5	0	0	0	0	0	113.1	A465 I469 L489 I491 I543 L549 V550	A465-A467 VanDerWaalsContact C-N 3.34Å; A467-I469 HydrophobicContact CB-CD1 4.4Å; A467-L489 WeakPolarHBondContact CA-O 3.31Å; A467-I491 HydrophobicContact CB-CD1 3.97Å; A467-I491 HydrophobicContact CB-CG1 4.27Å; A467-I543 HydrophobicContact CB-CD1 3.87Å; A467-I543 HydrophobicContact CB-CG1 3.94Å; A467-L549 HydrophobicContact CB-CD2 4.1Å; A467-V550 PolarHBondContact O-N 3.3Å; A467-V550 VanDerWaalsContact O-N 3.12Å
468	I	98.2	Very high	95.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	114.4	161.5	-58.1	174.8	0	0	0	107.8	A460 V481 P486 L489 V490 I491 V550 V552	A460-I468 HydrophobicContact CB-CD1 4.01Å; A460-I468 HydrophobicContact CB-CG1 4.03Å; I468-V481 HydrophobicContact CD1-CG1 3.62Å; I468-P486 HydrophobicContact CD1-CB 3.79Å; I468-P486 HydrophobicContact CD1-CG 3.94Å; I468-L489 PolarHBondContact N-O 3.04Å; I468-V490 HydrophobicContact CB-CG1 4.49Å; I468-V490 HydrophobicContact CB-CG2 4.41Å; I468-V490 HydrophobicContact CD1-CG2 4.35Å; I468-V490 HydrophobicContact CG2-CG1 4.46Å; I468-V490 CarbonylContact O-C 3.56Å; I468-V490 WeakPolarHBondContact O-CA 3.19Å; I468-I491 PolarHBondContact O-N 2.79Å; I468-V550 CarbonylContact C-O 3.57Å; I468-V550 VanDerWaalsContact CA-O 3.25Å; I468-V550 WeakPolarHBondContact CA-O 3.28Å; I468-V550 HydrophobicContact CG1-CB 4.15Å; I468-V550 HydrophobicContact CG2-CG1 4.49Å; I468-V552 HydrophobicContact CG2-CG2 4.05Å
469	I	98.4	Very high	95.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	117.4	171.1	-51.5	-56.6	0	0	0	108.6	A467 I491 I530 I534 I543 L549 V550 V551 V552	A467-I469 HydrophobicContact CB-CD1 4.4Å; I469-I491 HydrophobicContact CD1-CB 3.93Å; I469-I491 HydrophobicContact CD1-CD1 3.95Å; I469-I491 HydrophobicContact CD1-CG1 4.38Å; I469-I491 HydrophobicContact CD1-CG2 4.34Å; I469-I530 HydrophobicContact CG2-CG2 4.41Å; I469-I534 HydrophobicContact CD1-CG1 4.32Å; I469-I534 HydrophobicContact CG1-CG1 4.1Å; I469-I543 HydrophobicContact CD1-CD1 3.82Å; I469-L549 HydrophobicContact CG1-CD1 4.45Å; I469-V550 PolarHBondContact N-O 2.79Å; I469-V551 HydrophobicContact CB-CG2 4.31Å; I469-V551 CarbonylContact O-C 3.59Å; I469-V551 WeakPolarHBondContact O-CA 3.39Å; I469-V552 PolarHBondContact O-N 3.07Å
470	L	98	Very high	95.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123	-171.5	-174.2	153.1	0	0	0	111.1	T472 T477 A478 V481 V490 I491 S492 V493 V552	L470-T472 HydrophobicContact CD2-CG2 3.72Å; L470-T477 HydrophobicContact CD1-CG2 3.9Å; L470-T477 HydrophobicContact CG-CG2 4.33Å; L470-A478 HydrophobicContact CD1-CB 4.31Å; L470-A478 HydrophobicContact CD2-CB 3.9Å; L470-V481 HydrophobicContact CD1-CB 4.24Å; L470-V481 HydrophobicContact CD1-CG2 3.73Å; L470-V490 HydrophobicContact CB-CG1 3.92Å; L470-V490 HydrophobicContact CD1-CG1 3.81Å; L470-V490 HydrophobicContact CG-CG1 4.46Å; L470-I491 PolarHBondContact N-O 2.8Å; L470-S492 CarbonylContact O-C 3.32Å; L470-S492 VanDerWaalsContact O-CA 3.31Å; L470-S492 WeakPolarHBondContact O-CA 3.33Å; L470-V493 PolarHBondContact O-N 2.7Å; L470-V552 HydrophobicContact CD1-CB 4.48Å; L470-V552 HydrophobicContact CG-CB 4.31Å
471	V	96.7	Very high	95.7	Very high	12 Å²	12	29.7 Å²	29.7	7%	0.073	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	122.9	175.3	177	0	0	0	0	109.5	R529 I530 V552 T553	V471-R529 HydrophobicContact CG2-CB 3.95Å; V471-I530 HydrophobicContact CG2-CG1 4.47Å; V471-V552 PolarHBondContact N-O 3.32Å; V471-V552 VanDerWaalsContact N-O 3.1Å; V471-T553 HydrophobicContact CB-CG2 4.29Å; V471-T553 HydrophobicContact CG2-CG2 4.07Å
472	T	95.6	Very high	96	Very high	9 Å²	9	29 Å²	29	6%	0.055	15%	0.153	C	C	.	.			trans	-143.1	150	-177.5	-171.3	0	0	0	0	113.5	L470 G475 A478 V493 V494 L503	L470-T472 HydrophobicContact CD2-CG2 3.72Å; T472-G475 WeakPolarHBondContact OG1-CA 3.39Å; T472-G475 PolarHBondContact OG1-N 2.67Å; T472-A478 HydrophobicContact CG2-CB 4.49Å; T472-V493 PolarHBondContact N-O 3.46Å; T472-V494 HydrophobicContact CG2-CG1 3.49Å; T472-V494 VanDerWaalsContact CG2-CG1 3.49Å; T472-L503 HydrophobicContact CG2-CD1 4.44Å
473	T	93.9	Very high	96.2	Very high	63 Å²	63	23.3 Å²	23.3	39%	0.387	12%	0.124	S	C	.	.	S	Bend	trans	-107.5	-37.4	176.5	-56.1	0	0	0	0	112
474	T	94.2	Very high	96.4	Very high	69 Å²	69	21.5 Å²	21.5	42%	0.423	11%	0.112	S	C	.	.	S	Bend	trans	-111.7	0.1	-175.8	61.9	0	0	0	0	113.3	R476 A559	T474-R476 PolarHBondContact O-N 2.79Å; T474-R476 VanDerWaalsContact O-N 3.15Å; T474-A559 HydrophobicContact CG2-CB 3.67Å
475	G	96	Very high	96.6	Very high	5 Å²	5	19 Å²	19	5%	0.052	10%	0.099	C	C	.	.	S	Bend	trans	77.7	-16.7	-174.6	0	0	0	0	0	114.9	T472 T477 A478 A479	T472-G475 WeakPolarHBondContact OG1-CA 3.39Å; T472-G475 PolarHBondContact OG1-N 2.67Å; G475-T477 PolarHBondContact O-N 2.92Å; G475-A478 WeakPolarHBondContact O-CA 3.2Å; G475-A478 WeakPolarHBondContact O-CB 3.28Å; G475-A478 PolarHBondContact O-N 3.34Å; G475-A479 PolarHBondContact O-N 2.75Å
476	R	95.9	Very high	96.6	Very high	155 Å²	155	19 Å²	19	59%	0.585	10%	0.098	S	C	*	.	H	α-helix	trans	-54.1	-43.4	-174.2	-175.3	178.3	179.6	178.7	1.8	114.3	T474 A478 A479 L480	T474-R476 PolarHBondContact O-N 2.79Å; T474-R476 VanDerWaalsContact O-N 3.15Å; R476-A478 VanDerWaalsContact C-N 3.35Å; R476-A479 PolarHBondContact O-N 2.73Å; R476-L480 HydrophobicContact CG-CD1 4.35Å; R476-L480 WeakPolarHBondContact O-CG 3.49Å; R476-L480 PolarHBondContact O-N 3.05Å
477	T	96.8	Very high	96.5	Very high	9 Å²	9	19.6 Å²	19.6	6%	0.055	10%	0.102	C	C	.	.	H	α-helix	trans	-65.1	-40.1	177.9	-46.4	0	0	0	0	111.5	L470 G475 L480 V481 V552 T562	L470-T477 HydrophobicContact CD1-CG2 3.9Å; L470-T477 HydrophobicContact CG-CG2 4.33Å; G475-T477 PolarHBondContact O-N 2.92Å; T477-L480 PolarHBondContact O-N 3.34Å; T477-V481 WeakPolarHBondContact O-CG2 3.31Å; T477-V481 PolarHBondContact O-N 3.11Å; T477-V552 HydrophobicContact CG2-CG1 3.89Å; T477-T562 HydrophobicContact CG2-CG2 3.57Å; T477-T562 PolarHBondContact OG1-OG1 2.87Å
478	A	97.8	Very high	96.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.4	-43.3	177.5	0	0	0	0	0	110.9	L470 T472 G475 R476 L480 V481 S482 S492 L503 V509	L470-A478 HydrophobicContact CD1-CB 4.31Å; L470-A478 HydrophobicContact CD2-CB 3.9Å; T472-A478 HydrophobicContact CG2-CB 4.49Å; G475-A478 WeakPolarHBondContact O-CA 3.2Å; G475-A478 WeakPolarHBondContact O-CB 3.28Å; G475-A478 PolarHBondContact O-N 3.34Å; R476-A478 VanDerWaalsContact C-N 3.35Å; A478-L480 VanDerWaalsContact C-N 3.34Å; A478-L480 PolarHBondContact O-N 2.83Å; A478-V481 PolarHBondContact O-N 3.23Å; A478-S482 VanDerWaalsContact O-CB 3.24Å; A478-S482 WeakPolarHBondContact O-CB 3.42Å; A478-S482 PolarHBondContact O-N 3.38Å; A478-S492 WeakPolarHBondContact CB-OG 3.36Å; A478-L503 HydrophobicContact CB-CD1 4.5Å; A478-L503 HydrophobicContact CB-CD2 3.86Å; A478-V509 HydrophobicContact CB-CG1 4.13Å; A478-V509 HydrophobicContact CB-CG2 4.33Å
479	A	97.6	Very high	96.2	Very high	16 Å²	16	19.8 Å²	19.8	13%	0.132	10%	0.103	C	C	.	.	H	α-helix	trans	-59.8	-41.7	173.4	0	0	0	0	0	112.5	G475 R476 S482 K483 H506	G475-A479 PolarHBondContact O-N 2.75Å; R476-A479 PolarHBondContact O-N 2.73Å; A479-S482 PolarHBondContact O-N 2.8Å; A479-K483 WeakPolarHBondContact O-CB 3.39Å; A479-K483 PolarHBondContact O-N 2.82Å; A479-H506 WeakPolarHBondContact CB-CE1 3.38Å
480	L	97.5	Very high	96.2	Very high	30 Å²	30	19.8 Å²	19.8	16%	0.157	10%	0.103	C	C	.	.	H	α-helix	trans	-66.3	-38.8	176.9	-72.7	170	0	0	0	112.7	A449 H450 A453 R476 T477 A478 K483 Y484	A449-L480 HydrophobicContact CB-CD1 4.14Å; H450-L480 HydrophobicContact CB-CD1 4.46Å; H450-L480 HydrophobicContact CB-CD2 4.49Å; A453-L480 HydrophobicContact CB-CB 3.72Å; R476-L480 HydrophobicContact CG-CD1 4.35Å; R476-L480 WeakPolarHBondContact O-CG 3.49Å; R476-L480 PolarHBondContact O-N 3.05Å; T477-L480 PolarHBondContact O-N 3.34Å; A478-L480 VanDerWaalsContact C-N 3.34Å; A478-L480 PolarHBondContact O-N 2.83Å; L480-K483 WeakPolarHBondContact O-CB 3.41Å; L480-Y484 VanDerWaalsContact O-CD2 3.31Å; L480-Y484 WeakPolarHBondContact O-CD2 3.48Å
481	V	98.1	Very high	96.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-69	-46	174.9	175.8	0	0	0	0	110.3	A453 I468 L470 T477 A478 K483 Y484 P486 V490	A453-V481 HydrophobicContact CB-CG2 3.76Å; I468-V481 HydrophobicContact CD1-CG1 3.62Å; L470-V481 HydrophobicContact CD1-CB 4.24Å; L470-V481 HydrophobicContact CD1-CG2 3.73Å; T477-V481 WeakPolarHBondContact O-CG2 3.31Å; T477-V481 PolarHBondContact O-N 3.11Å; A478-V481 PolarHBondContact O-N 3.23Å; V481-K483 VanDerWaalsContact C-N 3.26Å; V481-K483 PolarHBondContact O-N 3.13Å; V481-Y484 PolarHBondContact O-N 2.76Å; V481-P486 HydrophobicContact CG1-CG 4.17Å; V481-P486 WeakPolarHBondContact O-CD 3.49Å; V481-V490 HydrophobicContact CB-CG2 4.45Å; V481-V490 HydrophobicContact CG1-CG1 4.35Å; V481-V490 HydrophobicContact CG1-CG2 3.62Å
482	S	98	Very high	96.2	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.014	10%	0.1	C	C	.	.	H	α-helix	trans	-56.2	-38.1	176.9	176.4	0	0	0	0	112.7	A478 A479 Y484 R485 Y507	A478-S482 VanDerWaalsContact O-CB 3.24Å; A478-S482 WeakPolarHBondContact O-CB 3.42Å; A478-S482 PolarHBondContact O-N 3.38Å; A479-S482 PolarHBondContact O-N 2.8Å; S482-Y484 PolarHBondContact O-N 3.39Å; S482-Y484 VanDerWaalsContact O-N 3.15Å; S482-R485 WeakPolarHBondContact O-CA 3.24Å; S482-R485 PolarHBondContact O-N 3.22Å; S482-Y507 WeakPolarHBondContact CB-O 3.46Å; S482-Y507 PolarHBondContact OG-N 3.09Å; S482-Y507 PolarHBondContact OG-O 2.96Å
483	K	97.6	Very high	96.3	Very high	23 Å²	23	18.8 Å²	18.8	10%	0.1	10%	0.097	C	C	.	.	H	α-helix	trans	-49.8	-39.7	174	172.6	-178.1	-172	175.1	0	112.4	K358 V359 L438 A479 L480 V481 R485	K358-K483 WeakPolarHBondContact O-CE 3.29Å; V359-K483 WeakPolarHBondContact O-CE 3.49Å; V359-K483 PolarHBondContact O-NZ 3.08Å; L438-K483 HydrophobicContact CD2-CG 3.96Å; L438-K483 WeakPolarHBondContact CD2-O 3.34Å; A479-K483 WeakPolarHBondContact O-CB 3.39Å; A479-K483 PolarHBondContact O-N 2.82Å; L480-K483 WeakPolarHBondContact O-CB 3.41Å; V481-K483 VanDerWaalsContact C-N 3.26Å; V481-K483 PolarHBondContact O-N 3.13Å; K483-R485 VanDerWaalsContact C-N 3.29Å; K483-R485 PolarHBondContact O-N 3.46Å
484	Y	97.5	Very high	96.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	2.4	-178.9	-73.2	-75.3	0	0	0	114	F435 L438 L439 T442 H450 I454 L480 V481 S482	F435-Y484 AromaticContact CD2-CD1 3.79Å; F435-Y484 HydrophobicContact CD2-CD1 3.79Å; F435-Y484 HydrophobicContact CD2-CG 4.26Å; F435-Y484 AromaticContact CE2-CD1 3.64Å; F435-Y484 HydrophobicContact CE2-CD1 3.64Å; F435-Y484 AromaticContact CE2-CG 4Å; F435-Y484 HydrophobicContact CE2-CG 4Å; L438-Y484 HydrophobicContact CD2-CD1 3.79Å; L438-Y484 HydrophobicContact CD2-CE1 3.91Å; L438-Y484 HydrophobicContact CD2-CG 4.43Å; L438-Y484 HydrophobicContact CG-CD1 4.29Å; L438-Y484 HydrophobicContact CG-CE1 3.99Å; L439-Y484 HydrophobicContact CD2-CD1 4.31Å; L439-Y484 HydrophobicContact CD2-CE1 3.68Å; L439-Y484 HydrophobicContact CG-CE1 4.32Å; T442-Y484 WeakPolarHBondContact CG2-OH 3.32Å; T442-Y484 PolarHBondContact OG1-OH 3.45Å; H450-Y484 AromaticContact CD2-CE2 3.72Å; H450-Y484 AromaticContact NE2-CE2 3.56Å; H450-Y484 AromaticContact NE2-CZ 3.67Å; H450-Y484 PolarHBondContact NE2-OH 2.98Å; I454-Y484 HydrophobicContact CD1-CE1 4.49Å; I454-Y484 HydrophobicContact CD1-CE2 4.28Å; I454-Y484 WeakPolarHBondContact CD1-OH 3.32Å; I454-Y484 HydrophobicContact CG1-CD1 4.41Å; I454-Y484 HydrophobicContact CG1-CD2 4.07Å; I454-Y484 HydrophobicContact CG1-CE1 3.81Å; I454-Y484 HydrophobicContact CG1-CE2 3.41Å; I454-Y484 VanDerWaalsContact CG1-CE2 3.41Å; I454-Y484 WeakPolarHBondContact CG1-OH 3.15Å; L480-Y484 VanDerWaalsContact O-CD2 3.31Å; L480-Y484 WeakPolarHBondContact O-CD2 3.48Å; V481-Y484 PolarHBondContact O-N 2.76Å; S482-Y484 PolarHBondContact O-N 3.39Å; S482-Y484 VanDerWaalsContact O-N 3.15Å
485	R	95.8	Very high	96.4	Very high	1 Å²	1	15.4 Å²	15.4	0%	0.004	7%	0.07	C	C	.	.			trans	45.2	65.1	175.3	-68.9	-164.3	156.2	-142.4	-10.4	113.6	V392 G395 A396 Y429 H431 F434 S482 K483 Y507	V392-R485 PolarHBondContact O-NH1 2.73Å; G395-R485 VanDerWaalsContact CA-CZ 3.47Å; G395-R485 PolarHBondContact O-NH2 3.31Å; A396-R485 PolarHBondContact O-NH2 2.78Å; Y429-R485 VanDerWaalsContact CE2-NH1 3.27Å; Y429-R485 WeakPolarHBondContact OH-CD 3.3Å; H431-R485 PolarHBondContact ND1-O 3.26Å; F434-R485 HydrophobicContact CD1-CB 3.91Å; F434-R485 HydrophobicContact CD1-CG 4.15Å; F434-R485 HydrophobicContact CE1-CB 3.84Å; F434-R485 HydrophobicContact CE1-CG 3.62Å; F434-R485 HydrophobicContact CZ-CG 4.17Å; S482-R485 WeakPolarHBondContact O-CA 3.24Å; S482-R485 PolarHBondContact O-N 3.22Å; K483-R485 VanDerWaalsContact C-N 3.29Å; K483-R485 PolarHBondContact O-N 3.46Å; R485-Y507 HydrophobicContact CB-CD1 4.32Å; R485-Y507 HydrophobicContact CB-CE1 4.21Å; R485-Y507 HydrophobicContact CG-CD1 3.84Å; R485-Y507 HydrophobicContact CG-CE1 4.11Å
486	P	94.8	Very high	96.4	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.013	8%	0.084	C	C	.	.			trans	-55.5	147	172.5	26.1	-35.2	0	0	0	111.2	T457 I468 V481 C488 V490	T457-P486 HydrophobicContact CG2-CB 4.04Å; I468-P486 HydrophobicContact CD1-CB 3.79Å; I468-P486 HydrophobicContact CD1-CG 3.94Å; V481-P486 HydrophobicContact CG1-CG 4.17Å; V481-P486 WeakPolarHBondContact O-CD 3.49Å; P486-C488 PolarHBondContact O-N 2.95Å; P486-V490 HydrophobicContact CG-CG2 3.74Å
487	P	91.9	Very high	96.3	Very high	15 Å²	15	15.7 Å²	15.7	10%	0.097	8%	0.075	C	C	.	.	S	Bend	trans	-67.9	-15.7	177	28.7	-35.5	0	0	0	112.7	K88 M461	K88-P487 VanDerWaalsContact CE-C 3.45Å; K88-P487 WeakPolarHBondContact CE-O 3.31Å; K88-P487 PolarHBondContact NZ-O 3.35Å; M461-P487 HydrophobicContact CG-CG 3.86Å
488	C	93.5	Very high	96.3	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.007	8%	0.082	C	C	.	.	S	Bend	trans	-107.7	167.4	176.1	59.4	0	0	0	0	113	Q60 A465 S466 P486	Q60-C488 VanDerWaalsContact NE2-CB 3.27Å; A465-C488 WeakPolarHBondContact O-CB 3.48Å; A465-C488 PolarHBondContact O-SG 3.13Å; A465-C488 VanDerWaalsContact O-SG 3.41Å; S466-C488 WeakPolarHBondContact O-CB 3.37Å; P486-C488 PolarHBondContact O-N 2.95Å
489	L	95.2	Very high	96.2	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.016	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	147.8	174.5	-84.7	169.1	0	0	0	112.9	V86 K88 A467 I468 G508 F542	V86-L489 HydrophobicContact CB-CD1 3.64Å; V86-L489 HydrophobicContact CB-CG 4.12Å; V86-L489 HydrophobicContact CG1-CD1 3.17Å; V86-L489 HydrophobicContact CG1-CD2 4.18Å; V86-L489 HydrophobicContact CG1-CG 3.86Å; V86-L489 HydrophobicContact CG2-CD1 4Å; K88-L489 HydrophobicContact CG-CD2 4.46Å; A467-L489 WeakPolarHBondContact CA-O 3.31Å; I468-L489 PolarHBondContact N-O 3.04Å; L489-G508 WeakPolarHBondContact CD2-O 3.39Å; L489-F542 HydrophobicContact CD1-CB 4.3Å; L489-F542 HydrophobicContact CD1-CD1 4.13Å; L489-F542 HydrophobicContact CD1-CD2 3.51Å; L489-F542 HydrophobicContact CD1-CE1 4.33Å; L489-F542 HydrophobicContact CD1-CE2 3.71Å; L489-F542 HydrophobicContact CD1-CG 3.73Å; L489-F542 HydrophobicContact CD1-CZ 4.13Å
490	V	97.8	Very high	96.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	94.4	168	-173.1	0	0	0	0	108.6	I468 L470 V481 P486 S492 G508 V509 Y510	I468-V490 HydrophobicContact CB-CG1 4.49Å; I468-V490 HydrophobicContact CB-CG2 4.41Å; I468-V490 HydrophobicContact CD1-CG2 4.35Å; I468-V490 HydrophobicContact CG2-CG1 4.46Å; I468-V490 CarbonylContact O-C 3.56Å; I468-V490 WeakPolarHBondContact O-CA 3.19Å; L470-V490 HydrophobicContact CB-CG1 3.92Å; L470-V490 HydrophobicContact CD1-CG1 3.81Å; L470-V490 HydrophobicContact CG-CG1 4.46Å; V481-V490 HydrophobicContact CB-CG2 4.45Å; V481-V490 HydrophobicContact CG1-CG1 4.35Å; V481-V490 HydrophobicContact CG1-CG2 3.62Å; P486-V490 HydrophobicContact CG-CG2 3.74Å; V490-S492 PolarHBondContact O-N 3.38Å; V490-S492 VanDerWaalsContact O-N 3.13Å; V490-G508 PolarHBondContact N-O 3.38Å; V490-V509 HydrophobicContact CB-CG2 4.42Å; V490-Y510 PolarHBondContact O-N 3.38Å
491	I	97.9	Very high	96.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	101.7	176.4	-58.8	-179.1	0	0	0	108.3	A467 I468 I469 L470 C512 F542 I543	A467-I491 HydrophobicContact CB-CD1 3.97Å; A467-I491 HydrophobicContact CB-CG1 4.27Å; I468-I491 PolarHBondContact O-N 2.79Å; I469-I491 HydrophobicContact CD1-CB 3.93Å; I469-I491 HydrophobicContact CD1-CD1 3.95Å; I469-I491 HydrophobicContact CD1-CG1 4.38Å; I469-I491 HydrophobicContact CD1-CG2 4.34Å; L470-I491 PolarHBondContact N-O 2.8Å; I491-C512 HydrophobicContact CG2-CB 4.4Å; I491-C512 VanDerWaalsContact CG2-SG 3.56Å; I491-F542 HydrophobicContact CD1-CD2 4.28Å; I491-I543 HydrophobicContact CD1-CD1 3.82Å; I491-I543 HydrophobicContact CD1-CG1 4.43Å
492	S	97.9	Very high	96.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	109.5	-174.3	-69.2	0	0	0	0	111.4	L470 A478 V490 V509 Y510 C512	L470-S492 CarbonylContact O-C 3.32Å; L470-S492 VanDerWaalsContact O-CA 3.31Å; L470-S492 WeakPolarHBondContact O-CA 3.33Å; A478-S492 WeakPolarHBondContact CB-OG 3.36Å; V490-S492 PolarHBondContact O-N 3.38Å; V490-S492 VanDerWaalsContact O-N 3.13Å; S492-V509 WeakPolarHBondContact OG-CG1 3.19Å; S492-Y510 PolarHBondContact N-O 3.08Å; S492-C512 PolarHBondContact O-N 2.91Å
493	V	97.6	Very high	96.1	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	118.1	178.5	-175.8	0	0	0	0	109.6	L470 T472 C512 M514 R529 F532	L470-V493 PolarHBondContact O-N 2.7Å; T472-V493 PolarHBondContact N-O 3.46Å; V493-C512 HydrophobicContact CG2-CB 4.42Å; V493-M514 HydrophobicContact CG1-CB 4.22Å; V493-M514 HydrophobicContact CG1-SD 4.38Å; V493-R529 HydrophobicContact CG1-CB 3.89Å; V493-R529 HydrophobicContact CG1-CG 3.91Å; V493-R529 WeakPolarHBondContact CG2-O 3.49Å; V493-F532 HydrophobicContact CG1-CD1 3.94Å; V493-F532 HydrophobicContact CG2-CD1 4.41Å
494	V	95.4	Very high	96.2	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.018	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	152.7	-172.1	-69.1	0	0	0	0	110.8	T472 I499 L503 C512 M513 M514	T472-V494 HydrophobicContact CG2-CG1 3.49Å; T472-V494 VanDerWaalsContact CG2-CG1 3.49Å; V494-I499 HydrophobicContact CG1-CG2 4.28Å; V494-L503 HydrophobicContact CG1-CD1 3.97Å; V494-C512 PolarHBondContact N-O 2.78Å; V494-M513 HydrophobicContact CG2-SD 4.41Å; V494-M514 PolarHBondContact O-N 3.5Å
495	R	94.8	Very high	96.2	Very high	57 Å²	57	17 Å²	17	22%	0.215	8%	0.078	C	C	.	.	S	Bend	trans	-119	7.2	175.9	-69.5	-171.7	170.8	120.9	-9.2	113.1	M513 M514 E516 P517 D525	R495-M513 VanDerWaalsContact O-CE 3.27Å; R495-M513 WeakPolarHBondContact O-CE 3.48Å; R495-M514 HydrophobicContact CG-CB 4.22Å; R495-E516 PolarHBondContact NE-O 3.45Å; R495-P517 PolarHBondContact NH2-O 3.14Å; R495-D525 IonicContact CZ-OD1 2.85Å; R495-D525 VanDerWaalsContact CZ-OD1 3.3Å; R495-D525 IonicContact CZ-OD2 3.85Å; R495-D525 VanDerWaalsContact NH1-CG 3.34Å; R495-D525 IonicContact NH1-OD1 3.06Å; R495-D525 PolarHBondContact NH1-OD1 2.7Å; R495-D525 IonicContact NH1-OD2 3.1Å; R495-D525 PolarHBondContact NH1-OD2 2.76Å; R495-D525 IonicContact NH2-OD1 3.96Å; R495-D525 PolarHBondContact NH2-OD1 2.82Å; R495-D525 IonicContact NH2-OD2 3.47Å
496	D	94.3	Very high	96.4	Very high	66 Å²	66	18.4 Å²	18.4	35%	0.353	8%	0.084	S	C	.	.			trans	-119.2	126.3	-179	-177.8	-74.2	0	0	0	109.3	H498 I499 S500	D496-H498 WeakPolarHBondContact OD1-CA 3.31Å; D496-H498 WeakPolarHBondContact OD1-CB 3.25Å; D496-H498 IonicContact OD1-CG 3.94Å; D496-H498 PolarHBondContact OD1-N 3.41Å; D496-H498 IonicContact OD1-ND1 2.74Å; D496-I499 HydrophobicContact CB-CB 4.17Å; D496-I499 HydrophobicContact CB-CG1 4.08Å; D496-I499 WeakPolarHBondContact OD1-CG1 3.16Å; D496-I499 PolarHBondContact OD1-N 2.88Å; D496-S500 VanDerWaalsContact O-CB 3.23Å; D496-S500 WeakPolarHBondContact O-CB 3.35Å; D496-S500 PolarHBondContact O-N 3.31Å
497	W	95.1	Very high	96.5	Very high	101 Å²	101	18.3 Å²	18.3	38%	0.383	8%	0.083	S	C	.	.	H	α-helix	trans	-70.5	-35.3	-175.1	-78.3	107.9	0	0	0	113	P145 V147 R501 M513 L515	P145-W497 HydrophobicContact CB-CH2 3.91Å; V147-W497 HydrophobicContact CG2-CZ3 4.43Å; W497-R501 WeakPolarHBondContact O-CB 3.27Å; W497-R501 VanDerWaalsContact O-CG 3.23Å; W497-R501 WeakPolarHBondContact O-CG 3.24Å; W497-R501 PolarHBondContact O-N 3.4Å; W497-R501 PolarHBondContact O-NE 2.82Å; W497-M513 HydrophobicContact CD2-CE 4.02Å; W497-M513 HydrophobicContact CD2-CG 4.07Å; W497-M513 HydrophobicContact CD2-SD 4.04Å; W497-M513 HydrophobicContact CE3-CG 4.09Å; W497-M513 HydrophobicContact CE3-SD 4.33Å; W497-M513 HydrophobicContact CG-CE 3.98Å; W497-M513 HydrophobicContact CG-SD 4.32Å; W497-M513 HydrophobicContact CH2-CB 4.36Å; W497-M513 HydrophobicContact CH2-CG 3.87Å; W497-M513 HydrophobicContact CZ2-CG 3.8Å; W497-M513 HydrophobicContact CZ3-CB 4.31Å; W497-M513 HydrophobicContact CZ3-CG 4Å; W497-L515 HydrophobicContact CZ2-CD2 3.94Å
498	H	95.3	Very high	96.8	Very high	47 Å²	47	17.7 Å²	17.7	22%	0.218	8%	0.08	C	C	.	.	H	α-helix	trans	-67	-45.1	178	-55.5	98.8	0	0	0	110.7	D276 H304 D496 R501 S502	D276-H498 VanDerWaalsContact CG-NE2 3.32Å; D276-H498 IonicContact OD1-CD2 3.07Å; D276-H498 PolarHBondContact OD1-CD2 2.79Å; D276-H498 IonicContact OD1-CE1 2.69Å; D276-H498 IonicContact OD1-NE2 3.12Å; D276-H498 PolarHBondContact OD1-NE2 2.66Å; D276-H498 IonicContact OD2-CD2 2.66Å; D276-H498 IonicContact OD2-NE2 3.3Å; D276-H498 PolarHBondContact OD2-NE2 3.1Å; D276-H498 VanDerWaalsContact OD2-NE2 3.17Å; H304-H498 HydrophobicContact CB-CB 4.38Å; H304-H498 AromaticContact CD2-CD2 3.16Å; H304-H498 PolarHBondContact CD2-CD2 2.85Å; H304-H498 AromaticContact CD2-CG 3.61Å; H304-H498 AromaticContact CD2-NE2 3.75Å; H304-H498 AromaticContact NE2-CD2 3.47Å; H304-H498 PolarHBondContact NE2-CD2 3.01Å; H304-H498 AromaticContact NE2-NE2 3.62Å; D496-H498 WeakPolarHBondContact OD1-CA 3.31Å; D496-H498 WeakPolarHBondContact OD1-CB 3.25Å; D496-H498 IonicContact OD1-CG 3.94Å; D496-H498 PolarHBondContact OD1-N 3.41Å; D496-H498 IonicContact OD1-ND1 2.74Å; H498-R501 PolarHBondContact CD2-NH2 3.06Å; H498-R501 VanDerWaalsContact CD2-NH2 3.33Å; H498-S502 WeakPolarHBondContact O-CB 3.41Å; H498-S502 PolarHBondContact O-N 2.84Å; H498-S502 PolarHBondContact O-OG 2.68Å
499	I	96.2	Very high	97	Very high	21 Å²	21	18.1 Å²	18.1	11%	0.108	8%	0.082	C	C	.	.	H	α-helix	trans	-63.5	-49.2	175.3	-59.3	-54.7	0	0	0	110.1	V494 D496 R501 S502 L503	V494-I499 HydrophobicContact CG1-CG2 4.28Å; D496-I499 HydrophobicContact CB-CB 4.17Å; D496-I499 HydrophobicContact CB-CG1 4.08Å; D496-I499 WeakPolarHBondContact OD1-CG1 3.16Å; D496-I499 PolarHBondContact OD1-N 2.88Å; I499-R501 VanDerWaalsContact C-N 3.34Å; I499-R501 PolarHBondContact O-N 2.87Å; I499-S502 PolarHBondContact O-N 2.99Å; I499-S502 PolarHBondContact O-OG 2.99Å; I499-L503 HydrophobicContact CG2-CD1 4.29Å; I499-L503 HydrophobicContact CG2-CG 4.35Å; I499-L503 WeakPolarHBondContact O-CG 3.27Å; I499-L503 PolarHBondContact O-N 2.97Å
500	S	96.9	Very high	97.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-52.9	-49.5	178.8	-169.5	0	0	0	0	112.5	V147 D496 L503 P511	V147-S500 WeakPolarHBondContact CG1-O 3.46Å; V147-S500 WeakPolarHBondContact CG1-OG 3.49Å; V147-S500 VanDerWaalsContact CG2-OG 3.31Å; V147-S500 WeakPolarHBondContact CG2-OG 3.3Å; D496-S500 VanDerWaalsContact O-CB 3.23Å; D496-S500 WeakPolarHBondContact O-CB 3.35Å; D496-S500 PolarHBondContact O-N 3.31Å; S500-L503 PolarHBondContact O-N 2.95Å; S500-P511 WeakPolarHBondContact O-CB 3.35Å; S500-P511 WeakPolarHBondContact O-CG 3.42Å
501	R	97.8	Very high	97	Very high	17 Å²	17	19.5 Å²	19.5	6%	0.064	9%	0.088	C	C	.	.	H	α-helix	trans	-64.1	-48.9	179	-72.5	-178.1	-69.8	165.1	-5.6	111.5	V147 V148 A149 D276 D278 W497 H498 I499 L503 H504	V147-R501 HydrophobicContact CG1-CG 4.03Å; V148-R501 VanDerWaalsContact O-CD 3.27Å; V148-R501 WeakPolarHBondContact O-CD 3.23Å; V148-R501 WeakPolarHBondContact O-CG 3.47Å; A149-R501 HydrophobicContact CB-CB 3.86Å; A149-R501 WeakPolarHBondContact CB-O 3.44Å; D276-R501 PolarHBondContact O-NH1 3.28Å; D276-R501 IonicContact OD2-CZ 3.73Å; D276-R501 IonicContact OD2-NH1 2.68Å; D276-R501 IonicContact OD2-NH2 3.76Å; D276-R501 PolarHBondContact OD2-NH2 2.72Å; D278-R501 HydrophobicContact CB-CB 4.36Å; D278-R501 WeakPolarHBondContact OD1-CB 3.41Å; D278-R501 WeakPolarHBondContact OD1-CD 3.47Å; D278-R501 IonicContact OD1-CZ 3.48Å; D278-R501 IonicContact OD1-NE 3.39Å; D278-R501 PolarHBondContact OD1-NE 3.15Å; D278-R501 IonicContact OD1-NH1 2.65Å; D278-R501 PolarHBondContact OD1-NH1 3Å; D278-R501 IonicContact OD1-NH2 2.72Å; D278-R501 PolarHBondContact OD1-NH2 3.39Å; D278-R501 VanDerWaalsContact OD2-CD 3.25Å; D278-R501 WeakPolarHBondContact OD2-CD 3.4Å; D278-R501 IonicContact OD2-CZ 3.71Å; D278-R501 IonicContact OD2-NE 3.43Å; D278-R501 PolarHBondContact OD2-NE 3.14Å; D278-R501 IonicContact OD2-NH1 3.78Å; D278-R501 PolarHBondContact OD2-NH1 2.84Å; D278-R501 VanDerWaalsContact OD2-NH1 3.1Å; W497-R501 WeakPolarHBondContact O-CB 3.27Å; W497-R501 VanDerWaalsContact O-CG 3.23Å; W497-R501 WeakPolarHBondContact O-CG 3.24Å; W497-R501 PolarHBondContact O-N 3.4Å; W497-R501 PolarHBondContact O-NE 2.82Å; H498-R501 PolarHBondContact CD2-NH2 3.06Å; H498-R501 VanDerWaalsContact CD2-NH2 3.33Å; I499-R501 VanDerWaalsContact C-N 3.34Å; I499-R501 PolarHBondContact O-N 2.87Å; R501-L503 PolarHBondContact O-N 2.98Å; R501-H504 PolarHBondContact O-N 3.25Å
502	S	97.5	Very high	96.9	Very high	8 Å²	8	20 Å²	20	6%	0.056	9%	0.091	C	C	.	.	H	α-helix	trans	-64	-23.9	-179	70.4	0	0	0	0	114.5	H498 I499 H504 L505	H498-S502 WeakPolarHBondContact O-CB 3.41Å; H498-S502 PolarHBondContact O-N 2.84Å; H498-S502 PolarHBondContact O-OG 2.68Å; I499-S502 PolarHBondContact O-N 2.99Å; I499-S502 PolarHBondContact O-OG 2.99Å; S502-H504 PolarHBondContact O-N 3.33Å; S502-L505 WeakPolarHBondContact O-CB 3.38Å; S502-L505 PolarHBondContact O-N 2.69Å; S502-L505 VanDerWaalsContact O-N 3.11Å
503	L	98.2	Very high	96.8	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-64.4	-20	179.7	-78.6	178.4	0	0	0	113.8	T472 A478 V494 I499 S500 R501 L505 H506 V509 P511	T472-L503 HydrophobicContact CG2-CD1 4.44Å; A478-L503 HydrophobicContact CB-CD1 4.5Å; A478-L503 HydrophobicContact CB-CD2 3.86Å; V494-L503 HydrophobicContact CG1-CD1 3.97Å; I499-L503 HydrophobicContact CG2-CD1 4.29Å; I499-L503 HydrophobicContact CG2-CG 4.35Å; I499-L503 WeakPolarHBondContact O-CG 3.27Å; I499-L503 PolarHBondContact O-N 2.97Å; S500-L503 PolarHBondContact O-N 2.95Å; R501-L503 PolarHBondContact O-N 2.98Å; L503-L505 PolarHBondContact O-N 3.4Å; L503-L505 VanDerWaalsContact O-N 3.13Å; L503-H506 PolarHBondContact O-N 2.91Å; L503-V509 HydrophobicContact CB-CG1 3.91Å; L503-V509 HydrophobicContact CD1-CG1 4.09Å; L503-V509 HydrophobicContact CD2-CG1 4.19Å; L503-V509 HydrophobicContact CG-CG1 4.28Å; L503-P511 HydrophobicContact CB-CB 4.32Å
504	H	98.4	Very high	96.7	Very high	10 Å²	10	20.6 Å²	20.6	5%	0.046	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-62.1	-14.9	172.5	-77.3	-50.9	0	0	0	113.9	N114 I115 V147 C398 R501 S502 H506 P511	N114-H504 HydrophobicContact CB-CB 4.02Å; N114-H504 PolarHBondContact ND2-CE1 3.39Å; N114-H504 PolarHBondContact ND2-ND1 2.8Å; I115-H504 HydrophobicContact CD1-CB 4.1Å; I115-H504 HydrophobicContact CG1-CB 3.96Å; V147-H504 PolarHBondContact O-NE2 3.38Å; C398-H504 PolarHBondContact SG-O 3.16Å; R501-H504 PolarHBondContact O-N 3.25Å; S502-H504 PolarHBondContact O-N 3.33Å; H504-H506 PolarHBondContact O-N 2.89Å; H504-P511 VanDerWaalsContact CE1-CG 3.48Å; H504-P511 WeakPolarHBondContact CE1-CG 3.44Å
505	L	98.7	Very high	96.6	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.016	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-68.8	-20	171.6	-73.3	170.9	0	0	0	113.1	I115 I279 K306 V308 P363 I365 D397 S502 L503	I115-L505 HydrophobicContact CD1-CD2 3.87Å; I115-L505 HydrophobicContact CD1-CG 4.18Å; I279-L505 HydrophobicContact CD1-CD1 3.79Å; I279-L505 HydrophobicContact CD1-CD2 3.99Å; I279-L505 HydrophobicContact CD1-CG 3.81Å; I279-L505 HydrophobicContact CG1-CD1 4.05Å; I279-L505 HydrophobicContact CG2-CD1 4.48Å; K306-L505 HydrophobicContact CB-CD1 4.16Å; K306-L505 HydrophobicContact CG-CD1 4.23Å; V308-L505 HydrophobicContact CG2-CD1 4.3Å; V308-L505 HydrophobicContact CG2-CD2 4.39Å; P363-L505 HydrophobicContact CB-CB 3.87Å; P363-L505 WeakPolarHBondContact CB-O 3.34Å; P363-L505 HydrophobicContact CG-CB 4.03Å; I365-L505 HydrophobicContact CD1-CD2 4Å; D397-L505 WeakPolarHBondContact CB-O 3.21Å; S502-L505 WeakPolarHBondContact O-CB 3.38Å; S502-L505 PolarHBondContact O-N 2.69Å; S502-L505 VanDerWaalsContact O-N 3.11Å; L503-L505 PolarHBondContact O-N 3.4Å; L503-L505 VanDerWaalsContact O-N 3.13Å
506	H	98.7	Very high	96.5	Very high	29 Å²	29	28 Å²	28	13%	0.134	13%	0.134	C	C	.	.	S	Bend	trans	-102.7	129.3	-171.4	-66.6	-81.3	0	0	0	111.9	A479 L503 H504 G508 V509	A479-H506 WeakPolarHBondContact CB-CE1 3.38Å; L503-H506 PolarHBondContact O-N 2.91Å; H504-H506 PolarHBondContact O-N 2.89Å; H506-G508 PolarHBondContact O-N 2.87Å; H506-V509 HydrophobicContact CB-CB 4.2Å; H506-V509 HydrophobicContact CB-CG2 3.64Å; H506-V509 PolarHBondContact O-N 2.88Å
507	Y	98.1	Very high	96.4	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	129.3	-179.9	178.5	-94.7	0	0	0	112.2	K88 D397 E426 S482 R485 V509	K88-Y507 HydrophobicContact CB-CD1 4.35Å; K88-Y507 HydrophobicContact CB-CD2 3.98Å; K88-Y507 HydrophobicContact CB-CE1 3.96Å; K88-Y507 HydrophobicContact CB-CE2 3.56Å; K88-Y507 HydrophobicContact CB-CG 4.37Å; K88-Y507 HydrophobicContact CD-CD1 4.45Å; K88-Y507 HydrophobicContact CD-CE1 3.6Å; K88-Y507 HydrophobicContact CG-CE1 4.44Å; D397-Y507 VanDerWaalsContact OD1-CB 3.24Å; D397-Y507 WeakPolarHBondContact OD1-CB 3.49Å; D397-Y507 PolarHBondContact OD1-N 2.93Å; E426-Y507 HydrophobicContact CG-CE2 4.11Å; S482-Y507 WeakPolarHBondContact CB-O 3.46Å; S482-Y507 PolarHBondContact OG-N 3.09Å; S482-Y507 PolarHBondContact OG-O 2.96Å; R485-Y507 HydrophobicContact CB-CD1 4.32Å; R485-Y507 HydrophobicContact CB-CE1 4.21Å; R485-Y507 HydrophobicContact CG-CD1 3.84Å; R485-Y507 HydrophobicContact CG-CE1 4.11Å; Y507-V509 PolarHBondContact O-N 2.81Å
508	G	97.1	Very high	96.3	Very high	2 Å²	2	32.3 Å²	32.3	2%	0.021	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	3.9	174.1	0	0	0	0	0	114.6	K88 L489 V490 H506	K88-G508 PolarHBondContact O-N 3.04Å; L489-G508 WeakPolarHBondContact CD2-O 3.39Å; V490-G508 PolarHBondContact N-O 3.38Å; H506-G508 PolarHBondContact O-N 2.87Å
509	V	98.1	Very high	96.2	Very high	10 Å²	10	31.9 Å²	31.9	6%	0.061	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	116.5	176.4	-175.6	0	0	0	0	109.7	A478 V490 S492 L503 H506 Y507 P511	A478-V509 HydrophobicContact CB-CG1 4.13Å; A478-V509 HydrophobicContact CB-CG2 4.33Å; V490-V509 HydrophobicContact CB-CG2 4.42Å; S492-V509 WeakPolarHBondContact OG-CG1 3.19Å; L503-V509 HydrophobicContact CB-CG1 3.91Å; L503-V509 HydrophobicContact CD1-CG1 4.09Å; L503-V509 HydrophobicContact CD2-CG1 4.19Å; L503-V509 HydrophobicContact CG-CG1 4.28Å; H506-V509 HydrophobicContact CB-CB 4.2Å; H506-V509 HydrophobicContact CB-CG2 3.64Å; H506-V509 PolarHBondContact O-N 2.88Å; Y507-V509 PolarHBondContact O-N 2.81Å; V509-P511 WeakPolarHBondContact O-CD 3.3Å
510	Y	97	Very high	96	Very high	27 Å²	27	37.3 Å²	37.3	11%	0.106	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	106	173	-171.4	-89.1	0	0	0	109.6	V490 S492 C512 R540 F542	V490-Y510 PolarHBondContact O-N 3.38Å; S492-Y510 PolarHBondContact N-O 3.08Å; Y510-C512 VanDerWaalsContact CD1-SG 3.6Å; Y510-C512 PolarHBondContact O-N 3.36Å; Y510-R540 PolarHBondContact OH-NE 3.39Å; Y510-R540 PolarHBondContact OH-NH2 3.03Å; Y510-F542 HydrophobicContact CD1-CE2 4.32Å; Y510-F542 HydrophobicContact CD2-CE2 4Å; Y510-F542 HydrophobicContact CD2-CZ 4.42Å; Y510-F542 HydrophobicContact CE1-CE2 4.41Å; Y510-F542 HydrophobicContact CE2-CE2 4.08Å; Y510-F542 HydrophobicContact CE2-CZ 4.28Å; Y510-F542 HydrophobicContact CG-CE2 4.14Å
511	P	97	Very high	95.9	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.032	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	125.1	-179.2	28.9	-33.3	0	0	0	111.8	V147 S500 L503 H504 V509	V147-P511 HydrophobicContact CB-CG 4.16Å; V147-P511 HydrophobicContact CG1-CB 4.32Å; V147-P511 HydrophobicContact CG1-CG 3.85Å; V147-P511 HydrophobicContact CG2-CG 4.49Å; S500-P511 WeakPolarHBondContact O-CB 3.35Å; S500-P511 WeakPolarHBondContact O-CG 3.42Å; L503-P511 HydrophobicContact CB-CB 4.32Å; H504-P511 VanDerWaalsContact CE1-CG 3.48Å; H504-P511 WeakPolarHBondContact CE1-CG 3.44Å; V509-P511 WeakPolarHBondContact O-CD 3.3Å
512	C	95.4	Very high	95.7	Very high	9 Å²	9	42.7 Å²	42.7	6%	0.061	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	104	174.2	-77.7	0	0	0	0	109.7	I491 S492 V493 V494 Y510 M514 F532	I491-C512 HydrophobicContact CG2-CB 4.4Å; I491-C512 VanDerWaalsContact CG2-SG 3.56Å; S492-C512 PolarHBondContact O-N 2.91Å; V493-C512 HydrophobicContact CG2-CB 4.42Å; V494-C512 PolarHBondContact N-O 2.78Å; Y510-C512 VanDerWaalsContact CD1-SG 3.6Å; Y510-C512 PolarHBondContact O-N 3.36Å; C512-M514 PolarHBondContact O-N 3.07Å; C512-F532 HydrophobicContact CB-CD1 4.46Å; C512-F532 HydrophobicContact CB-CE1 3.92Å
513	M	96.1	Very high	95.5	Very high	11 Å²	11	45.8 Å²	45.8	5%	0.054	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	113	178.4	-173.4	65.5	-166.6	0	0	111.1	P145 V147 V494 R495 W497 L515 F532	P145-M513 HydrophobicContact CB-CB 4.23Å; V147-M513 HydrophobicContact CG2-CB 4.23Å; V494-M513 HydrophobicContact CG2-SD 4.41Å; R495-M513 VanDerWaalsContact O-CE 3.27Å; R495-M513 WeakPolarHBondContact O-CE 3.48Å; W497-M513 HydrophobicContact CD2-CE 4.02Å; W497-M513 HydrophobicContact CD2-CG 4.07Å; W497-M513 HydrophobicContact CD2-SD 4.04Å; W497-M513 HydrophobicContact CE3-CG 4.09Å; W497-M513 HydrophobicContact CE3-SD 4.33Å; W497-M513 HydrophobicContact CG-CE 3.98Å; W497-M513 HydrophobicContact CG-SD 4.32Å; W497-M513 HydrophobicContact CH2-CB 4.36Å; W497-M513 HydrophobicContact CH2-CG 3.87Å; W497-M513 HydrophobicContact CZ2-CG 3.8Å; W497-M513 HydrophobicContact CZ3-CB 4.31Å; W497-M513 HydrophobicContact CZ3-CG 4Å; M513-L515 HydrophobicContact CE-CD2 4.08Å; M513-L515 HydrophobicContact CG-CD2 4.02Å; M513-F532 WeakPolarHBondContact O-CZ 3.11Å
514	M	95.1	Very high	95.4	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.015	26%	0.258	C	S	.	.			trans	-93.5	120.8	174.9	-174.7	178	-171.7	0	0	110.1	V493 V494 R495 C512 E516 K528 R529 F532	V493-M514 HydrophobicContact CG1-CB 4.22Å; V493-M514 HydrophobicContact CG1-SD 4.38Å; V494-M514 PolarHBondContact O-N 3.5Å; R495-M514 HydrophobicContact CG-CB 4.22Å; C512-M514 PolarHBondContact O-N 3.07Å; M514-E516 HydrophobicContact CE-CB 3.66Å; M514-E516 HydrophobicContact CE-CG 4.29Å; M514-E516 WeakPolarHBondContact CE-OE2 3.29Å; M514-E516 HydrophobicContact CG-CB 4.17Å; M514-K528 HydrophobicContact CE-CB 4.14Å; M514-R529 HydrophobicContact CE-CG 4.37Å; M514-R529 HydrophobicContact SD-CB 4.39Å; M514-R529 HydrophobicContact SD-CG 3.44Å; M514-R529 WeakPolarHBondContact SD-CG 3.49Å; M514-F532 HydrophobicContact CB-CD1 4.04Å; M514-F532 HydrophobicContact CB-CE1 3.88Å; M514-F532 HydrophobicContact CB-CZ 4.31Å; M514-F532 HydrophobicContact CG-CD1 4.34Å; M514-F532 HydrophobicContact CG-CE1 4.48Å; M514-F532 HydrophobicContact CG-CG 4.38Å
515	L	93.3	Very high	95.2	Very high	113 Å²	113	47.9 Å²	47.9	59%	0.592	26%	0.257	S	S	*	.			trans	-92.6	-15.4	179.6	-58.5	-177.9	0	0	0	113.3	P145 W497 M513	P145-L515 HydrophobicContact CG-CD1 3.82Å; P145-L515 HydrophobicContact CG-CG 4.2Å; W497-L515 HydrophobicContact CZ2-CD2 3.94Å; M513-L515 HydrophobicContact CE-CD2 4.08Å; M513-L515 HydrophobicContact CG-CD2 4.02Å
516	E	92.9	Very high	95.1	Very high	103 Å²	103	48.2 Å²	48.2	48%	0.481	26%	0.259	S	S	.	.	S	Bend	trans	-62.7	138.5	178.5	-72.4	177.6	-156.3	0	0	111.5	R495 M514	R495-E516 PolarHBondContact NE-O 3.45Å; M514-E516 HydrophobicContact CE-CB 3.66Å; M514-E516 HydrophobicContact CE-CG 4.29Å; M514-E516 WeakPolarHBondContact CE-OE2 3.29Å; M514-E516 HydrophobicContact CG-CB 4.17Å
517	P	90.8	Very high	95	Very high	114 Å²	114	50.3 Å²	50.3	74%	0.74	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-62	162.2	177.7	27.9	-34.6	0	0	0	111.3	R495	R495-P517 PolarHBondContact NH2-O 3.14Å
518	R	92.7	Very high	94.9	Very high	144 Å²	144	54.1 Å²	54.1	54%	0.543	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-68	135.6	176.6	-63.7	-176.9	-178.3	179	2.6	110	D525	R518-D525 WeakPolarHBondContact CA-OD1 3.36Å
519	D	93.8	Very high	94.9	Very high	38 Å²	38	54.8 Å²	54.8	20%	0.203	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-71.4	137.2	165.8	-157.3	-71.3	0	0	0	109.6	D521 T524 D525 K528	D519-D521 PolarHBondContact O-N 3.07Å; D519-D521 PolarHBondContact OD1-N 3.21Å; D519-T524 HydrophobicContact CB-CG2 4.28Å; D519-T524 WeakPolarHBondContact OD2-CG2 3.25Å; D519-D525 HydrophobicContact CB-CB 3.81Å; D519-D525 PolarHBondContact N-OD1 2.59Å; D519-K528 HydrophobicContact CB-CD 4.46Å; D519-K528 IonicContact OD2-NZ 3.77Å; D519-K528 PolarHBondContact OD2-NZ 2.9Å
520	P	93	Very high	94.8	Very high	134 Å²	134	54.8 Å²	54.8	87%	0.87	29%	0.289	S	S	*	.	S	Bend	trans	-58.5	-33.1	173.5	-25.2	34.7	0	0	0	113.2
521	D	94.5	Very high	94.8	Very high	73 Å²	73	58 Å²	58	39%	0.39	31%	0.308	S	S	.	.	S	Bend	trans	-83.1	120.1	172.6	175	49	0	0	0	110.7	D519 S523 T524 D525	D519-D521 PolarHBondContact O-N 3.07Å; D519-D521 PolarHBondContact OD1-N 3.21Å; D521-S523 VanDerWaalsContact C-N 3.32Å; D521-S523 PolarHBondContact O-N 2.96Å; D521-T524 PolarHBondContact O-N 3.11Å; D521-T524 VanDerWaalsContact OD2-CB 3.26Å; D521-T524 WeakPolarHBondContact OD2-CB 3.23Å; D521-T524 PolarHBondContact OD2-N 3.17Å; D521-T524 PolarHBondContact OD2-OG1 3.29Å; D521-D525 WeakPolarHBondContact O-CB 3.31Å; D521-D525 PolarHBondContact O-N 3.14Å
522	W	92.6	Very high	94.8	Very high	58 Å²	58	60.5 Å²	60.5	22%	0.22	32%	0.319	C	S	.	.	H	α-helix	trans	-60.6	-41	-177.3	171	-111.5	0	0	0	112.6	D525 V526 G554 W555 R556 Q557	W522-D525 PolarHBondContact O-N 2.82Å; W522-V526 HydrophobicContact CD2-CG2 3.83Å; W522-V526 HydrophobicContact CE3-CG2 4.22Å; W522-V526 HydrophobicContact CG-CG2 4.46Å; W522-V526 HydrophobicContact CH2-CG2 3.9Å; W522-V526 HydrophobicContact CZ2-CG2 3.43Å; W522-V526 VanDerWaalsContact CZ2-CG2 3.43Å; W522-V526 HydrophobicContact CZ3-CG2 4.27Å; W522-V526 VanDerWaalsContact O-CG2 3.31Å; W522-V526 WeakPolarHBondContact O-CG2 3.43Å; W522-V526 PolarHBondContact O-N 3.14Å; W522-G554 WeakPolarHBondContact CZ2-O 3.45Å; W522-W555 PolarHBondContact NE1-O 3.12Å; W522-R556 VanDerWaalsContact CE2-C 3.47Å; W522-R556 VanDerWaalsContact CZ2-O 3.25Å; W522-R556 WeakPolarHBondContact CZ2-O 3.18Å; W522-Q557 HydrophobicContact CD2-CB 4.32Å; W522-Q557 HydrophobicContact CE3-CB 3.76Å; W522-Q557 HydrophobicContact CE3-CG 4.06Å; W522-Q557 HydrophobicContact CZ3-CB 3.93Å; W522-Q557 HydrophobicContact CZ3-CG 3.99Å
523	S	93.6	Very high	94.9	Very high	72 Å²	72	60.1 Å²	60.1	50%	0.503	32%	0.316	S	S	.	.	H	α-helix	trans	-64.8	-48.6	-177.7	-55.5	0	0	0	0	110.2	D521 D525 V526 D527	D521-S523 VanDerWaalsContact C-N 3.32Å; D521-S523 PolarHBondContact O-N 2.96Å; S523-D525 VanDerWaalsContact C-N 3.33Å; S523-D525 PolarHBondContact O-N 2.87Å; S523-V526 PolarHBondContact O-N 3.35Å; S523-D527 PolarHBondContact O-N 3.22Å
524	T	95.9	Very high	94.9	Very high	54 Å²	54	59.9 Å²	59.9	33%	0.331	32%	0.315	S	S	.	.	H	α-helix	trans	-58.5	-42.6	173.7	-57.7	0	0	0	0	111.8	D519 D521 V526 D527 K528	D519-T524 HydrophobicContact CB-CG2 4.28Å; D519-T524 WeakPolarHBondContact OD2-CG2 3.25Å; D521-T524 PolarHBondContact O-N 3.11Å; D521-T524 VanDerWaalsContact OD2-CB 3.26Å; D521-T524 WeakPolarHBondContact OD2-CB 3.23Å; D521-T524 PolarHBondContact OD2-N 3.17Å; D521-T524 PolarHBondContact OD2-OG1 3.29Å; T524-V526 PolarHBondContact O-N 3.2Å; T524-D527 PolarHBondContact O-N 2.8Å; T524-K528 HydrophobicContact CG2-CD 4.25Å; T524-K528 WeakPolarHBondContact O-CB 3.47Å; T524-K528 WeakPolarHBondContact O-CG 3.14Å; T524-K528 PolarHBondContact O-N 2.88Å
525	D	95.7	Very high	94.9	Very high	3 Å²	3	65.7 Å²	65.7	2%	0.016	34%	0.34	C	S	.	.	H	α-helix	trans	-64.2	-37.5	177.7	-168.4	64.4	0	0	0	113	R495 R518 D519 D521 W522 S523 R529	R495-D525 IonicContact CZ-OD1 2.85Å; R495-D525 VanDerWaalsContact CZ-OD1 3.3Å; R495-D525 IonicContact CZ-OD2 3.85Å; R495-D525 VanDerWaalsContact NH1-CG 3.34Å; R495-D525 IonicContact NH1-OD1 3.06Å; R495-D525 PolarHBondContact NH1-OD1 2.7Å; R495-D525 IonicContact NH1-OD2 3.1Å; R495-D525 PolarHBondContact NH1-OD2 2.76Å; R495-D525 IonicContact NH2-OD1 3.96Å; R495-D525 PolarHBondContact NH2-OD1 2.82Å; R495-D525 IonicContact NH2-OD2 3.47Å; R518-D525 WeakPolarHBondContact CA-OD1 3.36Å; D519-D525 HydrophobicContact CB-CB 3.81Å; D519-D525 PolarHBondContact N-OD1 2.59Å; D521-D525 WeakPolarHBondContact O-CB 3.31Å; D521-D525 PolarHBondContact O-N 3.14Å; W522-D525 PolarHBondContact O-N 2.82Å; S523-D525 VanDerWaalsContact C-N 3.33Å; S523-D525 PolarHBondContact O-N 2.87Å; D525-R529 WeakPolarHBondContact O-CG 3.29Å; D525-R529 PolarHBondContact O-N 2.92Å; D525-R529 PolarHBondContact O-NE 3.11Å; D525-R529 IonicContact OD2-CZ 3.47Å; D525-R529 IonicContact OD2-NE 3.25Å; D525-R529 PolarHBondContact OD2-NE 3.29Å; D525-R529 VanDerWaalsContact OD2-NE 3.12Å; D525-R529 IonicContact OD2-NH1 3.3Å; D525-R529 IonicContact OD2-NH2 2.85Å; D525-R529 PolarHBondContact OD2-NH2 3.06Å
526	V	95.7	Very high	94.9	Very high	9 Å²	9	60.9 Å²	60.9	6%	0.055	32%	0.317	C	S	.	.	H	α-helix	trans	-65.8	-48.3	174.5	171	0	0	0	0	110.3	W522 S523 T524 K528 R529 I530 T553	W522-V526 HydrophobicContact CD2-CG2 3.83Å; W522-V526 HydrophobicContact CE3-CG2 4.22Å; W522-V526 HydrophobicContact CG-CG2 4.46Å; W522-V526 HydrophobicContact CH2-CG2 3.9Å; W522-V526 HydrophobicContact CZ2-CG2 3.43Å; W522-V526 VanDerWaalsContact CZ2-CG2 3.43Å; W522-V526 HydrophobicContact CZ3-CG2 4.27Å; W522-V526 VanDerWaalsContact O-CG2 3.31Å; W522-V526 WeakPolarHBondContact O-CG2 3.43Å; W522-V526 PolarHBondContact O-N 3.14Å; S523-V526 PolarHBondContact O-N 3.35Å; T524-V526 PolarHBondContact O-N 3.2Å; V526-K528 PolarHBondContact O-N 2.94Å; V526-R529 WeakPolarHBondContact O-CB 3.39Å; V526-R529 PolarHBondContact O-N 2.94Å; V526-R529 VanDerWaalsContact O-N 3.15Å; V526-I530 HydrophobicContact CG1-CD1 3.71Å; V526-I530 HydrophobicContact CG1-CG1 4.37Å; V526-I530 WeakPolarHBondContact O-CG1 3.4Å; V526-I530 PolarHBondContact O-N 3.16Å; V526-T553 HydrophobicContact CG1-CG2 3.79Å
527	D	95.8	Very high	94.9	Very high	74 Å²	74	56 Å²	56	40%	0.396	29%	0.294	S	S	.	.	H	α-helix	trans	-64.6	-40.3	-178.3	-70.4	-20.6	0	0	0	111.9	S523 T524 R529 I530 N531	S523-D527 PolarHBondContact O-N 3.22Å; T524-D527 PolarHBondContact O-N 2.8Å; D527-R529 VanDerWaalsContact C-N 3.31Å; D527-R529 PolarHBondContact O-N 3.14Å; D527-I530 PolarHBondContact O-N 2.79Å; D527-N531 WeakPolarHBondContact O-CB 2.99Å; D527-N531 PolarHBondContact O-N 2.73Å; D527-N531 PolarHBondContact O-ND2 2.85Å
528	K	96.7	Very high	95	Very high	81 Å²	81	52.4 Å²	52.4	35%	0.352	27%	0.266	S	S	.	.	H	α-helix	trans	-56.6	-44	171.9	-77	176.9	175	175.9	0	112.1	M514 D519 T524 V526 F532	M514-K528 HydrophobicContact CE-CB 4.14Å; D519-K528 HydrophobicContact CB-CD 4.46Å; D519-K528 IonicContact OD2-NZ 3.77Å; D519-K528 PolarHBondContact OD2-NZ 2.9Å; T524-K528 HydrophobicContact CG2-CD 4.25Å; T524-K528 WeakPolarHBondContact O-CB 3.47Å; T524-K528 WeakPolarHBondContact O-CG 3.14Å; T524-K528 PolarHBondContact O-N 2.88Å; V526-K528 PolarHBondContact O-N 2.94Å; K528-F532 WeakPolarHBondContact O-CB 3.28Å; K528-F532 PolarHBondContact O-N 2.94Å
529	R	96.7	Very high	94.9	Very high	15 Å²	15	49.4 Å²	49.4	6%	0.057	26%	0.259	C	S	.	.	H	α-helix	trans	-66.1	-42.7	177.3	-78.2	177	-71.9	172.9	0.7	112.3	V471 V493 M514 D525 V526 D527 F532 G533	V471-R529 HydrophobicContact CG2-CB 3.95Å; V493-R529 HydrophobicContact CG1-CB 3.89Å; V493-R529 HydrophobicContact CG1-CG 3.91Å; V493-R529 WeakPolarHBondContact CG2-O 3.49Å; M514-R529 HydrophobicContact CE-CG 4.37Å; M514-R529 HydrophobicContact SD-CB 4.39Å; M514-R529 HydrophobicContact SD-CG 3.44Å; M514-R529 WeakPolarHBondContact SD-CG 3.49Å; D525-R529 WeakPolarHBondContact O-CG 3.29Å; D525-R529 PolarHBondContact O-N 2.92Å; D525-R529 PolarHBondContact O-NE 3.11Å; D525-R529 IonicContact OD2-CZ 3.47Å; D525-R529 IonicContact OD2-NE 3.25Å; D525-R529 PolarHBondContact OD2-NE 3.29Å; D525-R529 VanDerWaalsContact OD2-NE 3.12Å; D525-R529 IonicContact OD2-NH1 3.3Å; D525-R529 IonicContact OD2-NH2 2.85Å; D525-R529 PolarHBondContact OD2-NH2 3.06Å; V526-R529 WeakPolarHBondContact O-CB 3.39Å; V526-R529 PolarHBondContact O-N 2.94Å; V526-R529 VanDerWaalsContact O-N 3.15Å; D527-R529 VanDerWaalsContact C-N 3.31Å; D527-R529 PolarHBondContact O-N 3.14Å; R529-F532 PolarHBondContact O-N 3.31Å; R529-G533 PolarHBondContact O-N 2.85Å
530	I	97	Very high	94.8	Very high	10 Å²	10	48.4 Å²	48.4	5%	0.051	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-50.8	176.6	-66.5	163.2	0	0	0	109.9	I469 V471 V526 D527 F532 G533 I534 V551 T553	I469-I530 HydrophobicContact CG2-CG2 4.41Å; V471-I530 HydrophobicContact CG2-CG1 4.47Å; V526-I530 HydrophobicContact CG1-CD1 3.71Å; V526-I530 HydrophobicContact CG1-CG1 4.37Å; V526-I530 WeakPolarHBondContact O-CG1 3.4Å; V526-I530 PolarHBondContact O-N 3.16Å; D527-I530 PolarHBondContact O-N 2.79Å; I530-F532 VanDerWaalsContact C-N 3.3Å; I530-F532 PolarHBondContact O-N 3.23Å; I530-G533 PolarHBondContact O-N 2.86Å; I530-G533 VanDerWaalsContact O-N 3.1Å; I530-I534 HydrophobicContact CG2-CD1 3.88Å; I530-I534 HydrophobicContact CG2-CG1 4.46Å; I530-I534 WeakPolarHBondContact O-CG1 3.36Å; I530-I534 PolarHBondContact O-N 2.82Å; I530-V551 HydrophobicContact CD1-CG1 3.71Å; I530-V551 HydrophobicContact CG1-CG1 3.81Å; I530-V551 HydrophobicContact CG2-CG1 4.36Å; I530-V551 HydrophobicContact CG2-CG2 4.36Å; I530-T553 HydrophobicContact CD1-CG2 4.15Å; I530-T553 HydrophobicContact CG1-CG2 4.41Å
531	N	96.6	Very high	94.6	Very high	95 Å²	95	42.2 Å²	42.2	51%	0.508	21%	0.212	S	C	.	.	H	α-helix	trans	-61.9	-37.4	179.6	-72.5	-31.7	0	0	0	112.4	D527 I534 K535	D527-N531 WeakPolarHBondContact O-CB 2.99Å; D527-N531 PolarHBondContact O-N 2.73Å; D527-N531 PolarHBondContact O-ND2 2.85Å; N531-I534 PolarHBondContact O-N 2.83Å; N531-K535 VanDerWaalsContact O-CB 3.31Å; N531-K535 WeakPolarHBondContact O-CB 3.37Å; N531-K535 PolarHBondContact O-N 2.98Å
532	F	96.2	Very high	94.5	Very high	58 Å²	58	38.8 Å²	38.8	25%	0.254	19%	0.194	S	C	.	.	H	α-helix	trans	-60.2	-45.7	172.6	179.2	-100.4	0	0	0	112	V493 C512 M513 M514 K528 R529 I530 K535 A536	V493-F532 HydrophobicContact CG1-CD1 3.94Å; V493-F532 HydrophobicContact CG2-CD1 4.41Å; C512-F532 HydrophobicContact CB-CD1 4.46Å; C512-F532 HydrophobicContact CB-CE1 3.92Å; M513-F532 WeakPolarHBondContact O-CZ 3.11Å; M514-F532 HydrophobicContact CB-CD1 4.04Å; M514-F532 HydrophobicContact CB-CE1 3.88Å; M514-F532 HydrophobicContact CB-CZ 4.31Å; M514-F532 HydrophobicContact CG-CD1 4.34Å; M514-F532 HydrophobicContact CG-CE1 4.48Å; M514-F532 HydrophobicContact CG-CG 4.38Å; K528-F532 WeakPolarHBondContact O-CB 3.28Å; K528-F532 PolarHBondContact O-N 2.94Å; R529-F532 PolarHBondContact O-N 3.31Å; I530-F532 VanDerWaalsContact C-N 3.3Å; I530-F532 PolarHBondContact O-N 3.23Å; F532-K535 PolarHBondContact O-N 3.22Å; F532-A536 WeakPolarHBondContact O-CB 3.36Å; F532-A536 PolarHBondContact O-N 2.82Å
533	G	96.9	Very high	94.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.3	-43.9	176.1	0	0	0	0	0	113.1	R529 I530 A536 G537	R529-G533 PolarHBondContact O-N 2.85Å; I530-G533 PolarHBondContact O-N 2.86Å; I530-G533 VanDerWaalsContact O-N 3.1Å; G533-A536 PolarHBondContact O-N 2.98Å; G533-G537 PolarHBondContact O-N 3.14Å
534	I	96.7	Very high	94.6	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.036	18%	0.175	C	C	.	.	H	α-helix	trans	-61.6	-48.2	176.1	-65.7	172	0	0	0	110.5	I469 I530 N531 A536 G537 K538 L549 I568 P571	I469-I534 HydrophobicContact CD1-CG1 4.32Å; I469-I534 HydrophobicContact CG1-CG1 4.1Å; I530-I534 HydrophobicContact CG2-CD1 3.88Å; I530-I534 HydrophobicContact CG2-CG1 4.46Å; I530-I534 WeakPolarHBondContact O-CG1 3.36Å; I530-I534 PolarHBondContact O-N 2.82Å; N531-I534 PolarHBondContact O-N 2.83Å; I534-A536 VanDerWaalsContact C-N 3.33Å; I534-A536 PolarHBondContact O-N 3.06Å; I534-G537 PolarHBondContact O-N 3.07Å; I534-K538 HydrophobicContact CG2-CD 4.2Å; I534-K538 HydrophobicContact CG2-CG 4.45Å; I534-K538 WeakPolarHBondContact O-CG 3.37Å; I534-K538 PolarHBondContact O-N 3.04Å; I534-L549 HydrophobicContact CD1-CD1 4.04Å; I534-L549 HydrophobicContact CG1-CD1 3.85Å; I534-I568 HydrophobicContact CD1-CD1 4.17Å; I534-P571 HydrophobicContact CG2-CG 4.38Å
535	K	95.3	Very high	94.5	Very high	125 Å²	125	36.1 Å²	36.1	54%	0.543	18%	0.182	S	C	.	.	H	α-helix	trans	-58.5	-45	177.9	-178.6	179.7	178.7	179.9	0	111.5	N531 F532 K538 Q539	N531-K535 VanDerWaalsContact O-CB 3.31Å; N531-K535 WeakPolarHBondContact O-CB 3.37Å; N531-K535 PolarHBondContact O-N 2.98Å; F532-K535 PolarHBondContact O-N 3.22Å; K535-K538 PolarHBondContact O-N 3.08Å; K535-Q539 WeakPolarHBondContact O-CB 3.24Å; K535-Q539 VanDerWaalsContact O-CG 3.29Å; K535-Q539 WeakPolarHBondContact O-CG 2.96Å; K535-Q539 PolarHBondContact O-N 3.4Å
536	A	93	Very high	94.5	Very high	12 Å²	12	37.7 Å²	37.7	10%	0.099	20%	0.199	C	C	.	.	H	α-helix	trans	-62.8	-41.8	177.1	0	0	0	0	0	111.9	F532 G533 I534 R540	F532-A536 WeakPolarHBondContact O-CB 3.36Å; F532-A536 PolarHBondContact O-N 2.82Å; G533-A536 PolarHBondContact O-N 2.98Å; I534-A536 VanDerWaalsContact C-N 3.33Å; I534-A536 PolarHBondContact O-N 3.06Å; A536-R540 VanDerWaalsContact O-CG 3.32Å; A536-R540 WeakPolarHBondContact O-CG 3.32Å; A536-R540 PolarHBondContact O-N 2.67Å
537	G	93.9	Very high	94.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.7	-44.4	175.2	0	0	0	0	0	112.9	G533 I534 R540 G541 F542 I543	G533-G537 PolarHBondContact O-N 3.14Å; I534-G537 PolarHBondContact O-N 3.07Å; G537-R540 PolarHBondContact O-N 3.15Å; G537-G541 PolarHBondContact O-N 2.83Å; G537-F542 PolarHBondContact O-N 2.99Å; G537-I543 PolarHBondContact O-N 2.75Å
538	K	93.6	Very high	94.5	Very high	38 Å²	38	38.5 Å²	38.5	17%	0.165	20%	0.202	C	C	.	.	H	α-helix	trans	-61.3	-46.1	176.6	-74.1	179.8	163.8	-162.1	0	113.1	I534 K535 R540 G541 I543 P571 A572 D573	I534-K538 HydrophobicContact CG2-CD 4.2Å; I534-K538 HydrophobicContact CG2-CG 4.45Å; I534-K538 WeakPolarHBondContact O-CG 3.37Å; I534-K538 PolarHBondContact O-N 3.04Å; K535-K538 PolarHBondContact O-N 3.08Å; K538-R540 PolarHBondContact O-N 2.81Å; K538-G541 PolarHBondContact O-N 2.73Å; K538-G541 VanDerWaalsContact O-N 3.15Å; K538-I543 WeakPolarHBondContact CA-O 3.24Å; K538-I543 HydrophobicContact CG-CB 4.18Å; K538-I543 HydrophobicContact CG-CG2 4.04Å; K538-I543 WeakPolarHBondContact CG-O 3.37Å; K538-P571 WeakPolarHBondContact CE-O 3.38Å; K538-P571 PolarHBondContact NZ-O 3.25Å; K538-A572 PolarHBondContact NZ-O 3.27Å; K538-D573 VanDerWaalsContact CD-OD1 3.31Å; K538-D573 WeakPolarHBondContact CD-OD1 3.47Å; K538-D573 WeakPolarHBondContact CE-OD1 3.12Å; K538-D573 IonicContact NZ-OD1 3.93Å; K538-D573 PolarHBondContact NZ-OD1 3.48Å
539	Q	90.2	Very high	94.5	Very high	82 Å²	82	34.6 Å²	34.6	38%	0.383	19%	0.185	S	C	.	.	H	α-helix	trans	-59.5	-21.2	178.2	-74.7	175.9	-23.4	0	0	113.3	K535	K535-Q539 WeakPolarHBondContact O-CB 3.24Å; K535-Q539 VanDerWaalsContact O-CG 3.29Å; K535-Q539 WeakPolarHBondContact O-CG 2.96Å; K535-Q539 PolarHBondContact O-N 3.4Å
540	R	90.5	Very high	94.6	Very high	17 Å²	17	33.9 Å²	33.9	6%	0.064	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-3.6	-178.1	-63.3	-171.5	-178.4	-58.6	-6.9	114.7	Y56 R57 Q58 E144 Y510 A536 G537 K538 F542	Y56-R540 HydrophobicContact CE1-CG 4.33Å; R57-R540 VanDerWaalsContact CA-O 3.31Å; R57-R540 WeakPolarHBondContact CA-O 3.32Å; Q58-R540 PolarHBondContact N-O 3.04Å; E144-R540 IonicContact OE2-CZ 2.72Å; E144-R540 IonicContact OE2-NH1 3.7Å; E144-R540 IonicContact OE2-NH2 2.7Å; E144-R540 PolarHBondContact OE2-NH2 3.44Å; Y510-R540 PolarHBondContact OH-NE 3.39Å; Y510-R540 PolarHBondContact OH-NH2 3.03Å; A536-R540 VanDerWaalsContact O-CG 3.32Å; A536-R540 WeakPolarHBondContact O-CG 3.32Å; A536-R540 PolarHBondContact O-N 2.67Å; G537-R540 PolarHBondContact O-N 3.15Å; K538-R540 PolarHBondContact O-N 2.81Å; R540-F542 VanDerWaalsContact C-N 3.29Å; R540-F542 HydrophobicContact CB-CD1 3.74Å; R540-F542 HydrophobicContact CB-CD2 3.88Å; R540-F542 HydrophobicContact CB-CE1 3.55Å; R540-F542 HydrophobicContact CB-CE2 3.73Å; R540-F542 HydrophobicContact CB-CG 3.91Å; R540-F542 HydrophobicContact CB-CZ 3.56Å; R540-F542 VanDerWaalsContact CD-CE2 3.44Å; R540-F542 HydrophobicContact CG-CE2 4.2Å; R540-F542 HydrophobicContact CG-CZ 4.17Å
541	G	89.8	Confident	94.7	Very high	3 Å²	3	33.5 Å²	33.5	3%	0.031	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	11.1	-174.1	0	0	0	0	0	114.2	Q58 Q60 G537 K538 H544	Q58-G541 CarbonylContact O-C 3.57Å; Q58-G541 VanDerWaalsContact O-C 3.26Å; Q58-G541 VanDerWaalsContact O-O 3.08Å; Q60-G541 PolarHBondContact N-O 3.42Å; Q60-G541 VanDerWaalsContact N-O 3.16Å; G537-G541 PolarHBondContact O-N 2.83Å; K538-G541 PolarHBondContact O-N 2.73Å; K538-G541 VanDerWaalsContact O-N 3.15Å; G541-H544 PolarHBondContact O-CE1 2.9Å
542	F	92.3	Very high	94.8	Very high	1 Å²	1	29 Å²	29	0%	0.004	16%	0.156	C	C	.	.	S	Bend	trans	-79.5	-25.4	178.6	-53.1	-16.3	0	0	0	112	Q58 V86 L489 I491 Y510 G537 R540	Q58-F542 HydrophobicContact CB-CE1 4.03Å; Q58-F542 WeakPolarHBondContact O-CD1 3.3Å; V86-F542 HydrophobicContact CB-CD1 4.37Å; V86-F542 HydrophobicContact CB-CE1 4.38Å; V86-F542 HydrophobicContact CG1-CD1 4.03Å; V86-F542 HydrophobicContact CG1-CE1 3.63Å; V86-F542 HydrophobicContact CG1-CZ 3.93Å; V86-F542 HydrophobicContact CG2-CD1 3.42Å; V86-F542 VanDerWaalsContact CG2-CD1 3.42Å; V86-F542 HydrophobicContact CG2-CE1 3.78Å; V86-F542 HydrophobicContact CG2-CG 4.2Å; L489-F542 HydrophobicContact CD1-CB 4.3Å; L489-F542 HydrophobicContact CD1-CD1 4.13Å; L489-F542 HydrophobicContact CD1-CD2 3.51Å; L489-F542 HydrophobicContact CD1-CE1 4.33Å; L489-F542 HydrophobicContact CD1-CE2 3.71Å; L489-F542 HydrophobicContact CD1-CG 3.73Å; L489-F542 HydrophobicContact CD1-CZ 4.13Å; I491-F542 HydrophobicContact CD1-CD2 4.28Å; Y510-F542 HydrophobicContact CD1-CE2 4.32Å; Y510-F542 HydrophobicContact CD2-CE2 4Å; Y510-F542 HydrophobicContact CD2-CZ 4.42Å; Y510-F542 HydrophobicContact CE1-CE2 4.41Å; Y510-F542 HydrophobicContact CE2-CE2 4.08Å; Y510-F542 HydrophobicContact CE2-CZ 4.28Å; Y510-F542 HydrophobicContact CG-CE2 4.14Å; G537-F542 PolarHBondContact O-N 2.99Å; R540-F542 VanDerWaalsContact C-N 3.29Å; R540-F542 HydrophobicContact CB-CD1 3.74Å; R540-F542 HydrophobicContact CB-CD2 3.88Å; R540-F542 HydrophobicContact CB-CE1 3.55Å; R540-F542 HydrophobicContact CB-CE2 3.73Å; R540-F542 HydrophobicContact CB-CG 3.91Å; R540-F542 HydrophobicContact CB-CZ 3.56Å; R540-F542 VanDerWaalsContact CD-CE2 3.44Å; R540-F542 HydrophobicContact CG-CE2 4.2Å; R540-F542 HydrophobicContact CG-CZ 4.17Å
543	I	94	Very high	94.8	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	15%	0.145	C	C	.	.			trans	-135.2	132.7	-175.7	-62.2	176	0	0	0	108.1	A467 I469 I491 G537 K538 L549 A570	A467-I543 HydrophobicContact CB-CD1 3.87Å; A467-I543 HydrophobicContact CB-CG1 3.94Å; I469-I543 HydrophobicContact CD1-CD1 3.82Å; I491-I543 HydrophobicContact CD1-CD1 3.82Å; I491-I543 HydrophobicContact CD1-CG1 4.43Å; G537-I543 PolarHBondContact O-N 2.75Å; K538-I543 WeakPolarHBondContact CA-O 3.24Å; K538-I543 HydrophobicContact CG-CB 4.18Å; K538-I543 HydrophobicContact CG-CG2 4.04Å; K538-I543 WeakPolarHBondContact CG-O 3.37Å; I543-L549 HydrophobicContact CD1-CD1 4.26Å; I543-L549 HydrophobicContact CD1-CD2 3.78Å; I543-L549 HydrophobicContact CG1-CD2 3.91Å; I543-L549 HydrophobicContact CG2-CD1 4.32Å; I543-L549 HydrophobicContact CG2-CD2 4.04Å; I543-A570 HydrophobicContact CG2-CB 3.67Å
544	H	93.3	Very high	94.7	Very high	67 Å²	67	27.1 Å²	27.1	31%	0.31	15%	0.152	S	C	.	.			trans	-112.6	160.7	170.8	-59.1	94.9	0	0	0	110.8	E59 G541 G546 D547 A570	E59-H544 IonicContact OE2-CE1 3.05Å; E59-H544 PolarHBondContact OE2-CE1 2.75Å; E59-H544 IonicContact OE2-NE2 3.83Å; E59-H544 PolarHBondContact OE2-NE2 3.14Å; G541-H544 PolarHBondContact O-CE1 2.9Å; H544-G546 PolarHBondContact O-N 2.83Å; H544-D547 PolarHBondContact N-OD2 2.88Å; H544-D547 IonicContact ND1-OD2 3.78Å; H544-D547 VanDerWaalsContact O-CB 3.32Å; H544-D547 WeakPolarHBondContact O-CB 3.3Å; H544-D547 PolarHBondContact O-N 3.47Å; H544-A570 WeakPolarHBondContact O-CB 3.33Å
545	A	94.6	Very high	94.4	Very high	59 Å²	59	33.7 Å²	33.7	49%	0.488	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	135.3	171.5	0	0	0	0	0	110	D547	A545-D547 VanDerWaalsContact C-N 3.31Å
546	G	95.1	Very high	94.1	Very high	36 Å²	36	33.1 Å²	33.1	37%	0.371	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	-8.3	-176.2	0	0	0	0	0	115.2	H544 E569 A570	H544-G546 PolarHBondContact O-N 2.83Å; G546-E569 WeakPolarHBondContact CA-OE1 3.49Å; G546-A570 PolarHBondContact N-O 3.3Å
547	D	95	Very high	93.8	Very high	31 Å²	31	37.8 Å²	37.8	17%	0.166	19%	0.19	C	C	.	.			trans	-67	141.8	176.9	-77.2	-4.4	0	0	0	111.6	S466 H544 A545 E569 A570	S466-D547 WeakPolarHBondContact CB-OD2 3.48Å; S466-D547 WeakPolarHBondContact OG-CB 3.48Å; S466-D547 PolarHBondContact OG-OD2 2.98Å; H544-D547 PolarHBondContact N-OD2 2.88Å; H544-D547 IonicContact ND1-OD2 3.78Å; H544-D547 VanDerWaalsContact O-CB 3.32Å; H544-D547 WeakPolarHBondContact O-CB 3.3Å; H544-D547 PolarHBondContact O-N 3.47Å; A545-D547 VanDerWaalsContact C-N 3.31Å; D547-E569 CarbonylContact O-C 3.57Å; D547-A570 HydrophobicContact CB-CB 4.21Å; D547-A570 WeakPolarHBondContact O-CB 3.44Å; D547-A570 PolarHBondContact O-N 3.36Å
548	M	97	Very high	93.4	Very high	69 Å²	69	39.7 Å²	39.7	34%	0.34	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	134	169.8	-63.2	-55.5	-58.5	0	0	110.3	C463 A465 S466 V567	C463-M548 HydrophobicContact CB-CB 4.26Å; C463-M548 HydrophobicContact CB-CG 4.36Å; A465-M548 CarbonylContact C-O 3.49Å; A465-M548 WeakPolarHBondContact CA-O 3.43Å; A465-M548 WeakPolarHBondContact CB-O 3.46Å; S466-M548 PolarHBondContact N-O 2.9Å; M548-V567 HydrophobicContact CE-CG1 3.32Å
549	L	97.4	Very high	93.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	145.9	177	-56	178.6	0	0	0	110.2	A467 I469 I534 I543 V567 I568 A570	A467-L549 HydrophobicContact CB-CD2 4.1Å; I469-L549 HydrophobicContact CG1-CD1 4.45Å; I534-L549 HydrophobicContact CD1-CD1 4.04Å; I534-L549 HydrophobicContact CG1-CD1 3.85Å; I543-L549 HydrophobicContact CD1-CD1 4.26Å; I543-L549 HydrophobicContact CD1-CD2 3.78Å; I543-L549 HydrophobicContact CG1-CD2 3.91Å; I543-L549 HydrophobicContact CG2-CD1 4.32Å; I543-L549 HydrophobicContact CG2-CD2 4.04Å; L549-V567 WeakPolarHBondContact O-CA 3.41Å; L549-I568 HydrophobicContact CB-CG1 3.92Å; L549-I568 PolarHBondContact N-O 2.99Å; L549-I568 PolarHBondContact O-N 2.85Å; L549-A570 HydrophobicContact CD1-CB 3.8Å; L549-A570 HydrophobicContact CG-CB 4.12Å
550	V	98.4	Very high	93	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	131.6	167.3	178.4	0	0	0	0	108.5	A456 A459 A460 A465 A467 I468 I469 V552 M565 R566 V567	A456-V550 HydrophobicContact CB-CG1 3.9Å; A459-V550 HydrophobicContact CB-CG2 4.04Å; A460-V550 HydrophobicContact CB-CG2 3.99Å; A465-V550 HydrophobicContact CB-CG2 4.12Å; A467-V550 PolarHBondContact O-N 3.3Å; A467-V550 VanDerWaalsContact O-N 3.12Å; I468-V550 CarbonylContact C-O 3.57Å; I468-V550 VanDerWaalsContact CA-O 3.25Å; I468-V550 WeakPolarHBondContact CA-O 3.28Å; I468-V550 HydrophobicContact CG1-CB 4.15Å; I468-V550 HydrophobicContact CG2-CG1 4.49Å; I469-V550 PolarHBondContact N-O 2.79Å; V550-V552 HydrophobicContact CG1-CG2 4.37Å; V550-M565 HydrophobicContact CG1-CG 3.83Å; V550-M565 HydrophobicContact CG1-SD 4.28Å; V550-R566 CarbonylContact C-O 3.55Å; V550-R566 WeakPolarHBondContact CA-O 3.28Å; V550-V567 HydrophobicContact CG2-CG2 4.5Å
551	V	98.5	Very high	93.1	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.7	180	-178.3	0	0	0	0	109.6	I469 I530 T553 M565 R566 I568	I469-V551 HydrophobicContact CB-CG2 4.31Å; I469-V551 CarbonylContact O-C 3.59Å; I469-V551 WeakPolarHBondContact O-CA 3.39Å; I530-V551 HydrophobicContact CD1-CG1 3.71Å; I530-V551 HydrophobicContact CG1-CG1 3.81Å; I530-V551 HydrophobicContact CG2-CG1 4.36Å; I530-V551 HydrophobicContact CG2-CG2 4.36Å; V551-T553 HydrophobicContact CG1-CG2 3.99Å; V551-M565 CarbonylContact O-C 3.36Å; V551-M565 VanDerWaalsContact O-CA 3.27Å; V551-M565 WeakPolarHBondContact O-CA 3.41Å; V551-R566 HydrophobicContact CB-CB 4.36Å; V551-R566 PolarHBondContact N-O 3.26Å; V551-R566 PolarHBondContact O-N 3.09Å; V551-I568 HydrophobicContact CG2-CD1 3.58Å; V551-I568 HydrophobicContact CG2-CG1 3.9Å
552	V	98.3	Very high	93.4	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.6	179.9	179.4	0	0	0	0	110.7	V452 A456 I468 I469 L470 V471 T477 V550 T562 T564	V452-V552 HydrophobicContact CG1-CG1 3.79Å; V452-V552 HydrophobicContact CG1-CG2 4.46Å; A456-V552 HydrophobicContact CB-CG2 3.58Å; I468-V552 HydrophobicContact CG2-CG2 4.05Å; I469-V552 PolarHBondContact O-N 3.07Å; L470-V552 HydrophobicContact CD1-CB 4.48Å; L470-V552 HydrophobicContact CG-CB 4.31Å; V471-V552 PolarHBondContact N-O 3.32Å; V471-V552 VanDerWaalsContact N-O 3.1Å; T477-V552 HydrophobicContact CG2-CG1 3.89Å; V550-V552 HydrophobicContact CG1-CG2 4.37Å; V552-T562 HydrophobicContact CG1-CG2 3.58Å; V552-T564 WeakPolarHBondContact CA-O 3.49Å
553	T	96.7	Very high	93.6	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	171	-177.5	61.9	0	0	0	0	112.6	V471 V526 I530 V551 N563 T564	V471-T553 HydrophobicContact CB-CG2 4.29Å; V471-T553 HydrophobicContact CG2-CG2 4.07Å; V526-T553 HydrophobicContact CG1-CG2 3.79Å; I530-T553 HydrophobicContact CD1-CG2 4.15Å; I530-T553 HydrophobicContact CG1-CG2 4.41Å; V551-T553 HydrophobicContact CG1-CG2 3.99Å; T553-N563 PolarHBondContact O-N 3.28Å; T553-T564 PolarHBondContact O-N 2.64Å; T553-T564 PolarHBondContact N-O 2.69Å
554	G	94.1	Very high	93.7	Very high	13 Å²	13	47 Å²	47	13%	0.134	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	154.3	169.5	0	0	0	0	0	111.9	W522 R556 F561	W522-G554 WeakPolarHBondContact CZ2-O 3.45Å; G554-R556 VanDerWaalsContact C-N 3.33Å; G554-R556 PolarHBondContact O-N 3.25Å; G554-F561 WeakPolarHBondContact CA-O 3.26Å
555	W	90.7	Very high	93.9	Very high	146 Å²	146	47.1 Å²	47.1	55%	0.553	28%	0.278	S	S	*	.	S	Bend	trans	-75.4	-18.8	-179.9	70.3	-83.8	0	0	0	114.2	W522 F561 N563	W522-W555 PolarHBondContact NE1-O 3.12Å; W555-F561 PolarHBondContact N-O 3.01Å; W555-N563 WeakPolarHBondContact CB-OD1 3.19Å; W555-N563 VanDerWaalsContact CD1-ND2 3.31Å; W555-N563 PolarHBondContact N-OD1 2.94Å
556	R	88.9	Confident	94.1	Very high	113 Å²	113	50.1 Å²	50.1	43%	0.426	28%	0.276	S	S	.	.	S	Bend	trans	-142.6	165.8	178.4	70.4	170.2	-177.1	-171.7	5	113	W522 G554 F561	W522-R556 VanDerWaalsContact CE2-C 3.47Å; W522-R556 VanDerWaalsContact CZ2-O 3.25Å; W522-R556 WeakPolarHBondContact CZ2-O 3.18Å; G554-R556 VanDerWaalsContact C-N 3.33Å; G554-R556 PolarHBondContact O-N 3.25Å; R556-F561 HydrophobicContact CG-CD2 3.53Å; R556-F561 VanDerWaalsContact NE-CZ 3.34Å; R556-F561 VanDerWaalsContact NE-CE2 3.3Å; R556-F561 HydrophobicContact CG-CG 3.7Å; R556-F561 HydrophobicContact CG-CE2 4.18Å; R556-F561 HydrophobicContact CG-CD1 4.44Å; R556-F561 HydrophobicContact CG-CB 3.98Å
557	Q	87.1	Confident	94.2	Very high	109 Å²	109	51.6 Å²	51.6	51%	0.509	28%	0.278	S	S	.	.	S	Bend	trans	-60.8	147.8	173.9	-162.9	-177.6	33.5	0	0	112.4	W522	W522-Q557 HydrophobicContact CD2-CB 4.32Å; W522-Q557 HydrophobicContact CE3-CB 3.76Å; W522-Q557 HydrophobicContact CE3-CG 4.06Å; W522-Q557 HydrophobicContact CZ3-CB 3.93Å; W522-Q557 HydrophobicContact CZ3-CG 3.99Å
558	G	85.3	Confident	94.3	Very high	41 Å²	41	52.7 Å²	52.7	42%	0.423	28%	0.283	S	S	.	.	S	Bend	trans	105.2	-177.6	178.1	0	0	0	0	0	113.3
559	A	87.3	Confident	94.4	Very high	48 Å²	48	55.5 Å²	55.5	40%	0.397	30%	0.296	S	S	.	.	S	Bend	trans	-91.8	150.1	180	0	0	0	0	0	111.7	T474 F561	T474-A559 HydrophobicContact CG2-CB 3.67Å; A559-F561 WeakPolarHBondContact O-CD2 3.46Å; A559-F561 WeakPolarHBondContact O-CE2 3.46Å; A559-F561 WeakPolarHBondContact O-CZ 3.34Å
560	G	88.7	Confident	94.3	Very high	67 Å²	67	55.6 Å²	55.6	69%	0.691	30%	0.297	S	S	*	.	S	Bend	trans	88.8	8.6	169.5	0	0	0	0	0	116.4
561	F	92.8	Very high	94.1	Very high	60 Å²	60	58.7 Å²	58.7	26%	0.263	32%	0.316	S	S	.	.			trans	-110.1	18.2	-176	-50.2	-56.8	0	0	0	114.4	G554 W555 R556 A559 N563	G554-F561 WeakPolarHBondContact CA-O 3.26Å; W555-F561 PolarHBondContact N-O 3.01Å; R556-F561 HydrophobicContact CG-CD2 3.53Å; R556-F561 VanDerWaalsContact NE-CZ 3.34Å; R556-F561 VanDerWaalsContact NE-CE2 3.3Å; R556-F561 HydrophobicContact CG-CG 3.7Å; R556-F561 HydrophobicContact CG-CE2 4.18Å; R556-F561 HydrophobicContact CG-CD1 4.44Å; R556-F561 HydrophobicContact CG-CB 3.98Å; A559-F561 WeakPolarHBondContact O-CD2 3.46Å; A559-F561 WeakPolarHBondContact O-CE2 3.46Å; A559-F561 WeakPolarHBondContact O-CZ 3.34Å; F561-N563 PolarHBondContact O-N 2.95Å; F561-N563 PolarHBondContact O-OD1 2.71Å
562	T	96.2	Very high	93.8	Very high	14 Å²	14	62.2 Å²	62.2	9%	0.086	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	119.8	175.8	-48.7	0	0	0	0	110.6	V452 T477 V552	V452-T562 HydrophobicContact CG1-CG2 4.23Å; T477-T562 HydrophobicContact CG2-CG2 3.57Å; T477-T562 PolarHBondContact OG1-OG1 2.87Å; V552-T562 HydrophobicContact CG1-CG2 3.58Å
563	N	95.7	Very high	92.8	Very high	71 Å²	71	67.7 Å²	67.7	38%	0.38	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	1.1	179.5	71.4	-24.8	0	0	0	113.8	T553 W555 F561	T553-N563 PolarHBondContact O-N 3.28Å; W555-N563 WeakPolarHBondContact CB-OD1 3.19Å; W555-N563 VanDerWaalsContact CD1-ND2 3.31Å; W555-N563 PolarHBondContact N-OD1 2.94Å; F561-N563 PolarHBondContact O-N 2.95Å; F561-N563 PolarHBondContact O-OD1 2.71Å
564	T	96.9	Very high	91.2	Very high	36 Å²	36	76.8 Å²	76.8	22%	0.221	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.4	-174.1	-60.7	0	0	0	0	109.5	V552 T553 R566	V552-T564 WeakPolarHBondContact CA-O 3.49Å; T553-T564 PolarHBondContact O-N 2.64Å; T553-T564 PolarHBondContact N-O 2.69Å; T564-R566 HydrophobicContact CG2-CG 4.31Å
565	M	97.5	Very high	91	Very high	70 Å²	70	80 Å²	80	35%	0.345	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134	171.4	-175	-165.6	75.5	0	0	108.3	V452 A455 A456 A459 V550 V551	V452-M565 HydrophobicContact CG1-CB 4.37Å; A455-M565 VanDerWaalsContact C-SD 3.53Å; A455-M565 HydrophobicContact CB-SD 4Å; A456-M565 VanDerWaalsContact CA-SD 3.55Å; A456-M565 HydrophobicContact CB-CG 4.44Å; A456-M565 HydrophobicContact CB-SD 4.21Å; A459-M565 HydrophobicContact CB-CE 4.14Å; A459-M565 HydrophobicContact CB-SD 3.95Å; V550-M565 HydrophobicContact CG1-CG 3.83Å; V550-M565 HydrophobicContact CG1-SD 4.28Å; V551-M565 CarbonylContact O-C 3.36Å; V551-M565 VanDerWaalsContact O-CA 3.27Å; V551-M565 WeakPolarHBondContact O-CA 3.41Å
566	R	98	Very high	91	Very high	121 Å²	121	76.5 Å²	76.5	46%	0.457	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.1	172.2	-56.8	176.9	-172.1	165.4	1.2	108.9	V550 V551 T564 I568	V550-R566 CarbonylContact C-O 3.55Å; V550-R566 WeakPolarHBondContact CA-O 3.28Å; V551-R566 HydrophobicContact CB-CB 4.36Å; V551-R566 PolarHBondContact N-O 3.26Å; V551-R566 PolarHBondContact O-N 3.09Å; T564-R566 HydrophobicContact CG2-CG 4.31Å; R566-I568 HydrophobicContact CB-CG2 4.19Å
567	V	98.2	Very high	91.1	Very high	68 Å²	68	74.5 Å²	74.5	41%	0.412	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.2	167.1	-178.3	0	0	0	0	106	A459 M548 L549 V550	A459-V567 HydrophobicContact CB-CG2 4.26Å; M548-V567 HydrophobicContact CE-CG1 3.32Å; L549-V567 WeakPolarHBondContact O-CA 3.41Å; V550-V567 HydrophobicContact CG2-CG2 4.5Å
568	I	97.6	Very high	91.4	Very high	53 Å²	53	72.5 Å²	72.5	27%	0.272	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	161.5	-176.3	68.2	173.2	0	0	0	109.9	I534 L549 V551 R566	I534-I568 HydrophobicContact CD1-CD1 4.17Å; L549-I568 HydrophobicContact CB-CG1 3.92Å; L549-I568 PolarHBondContact N-O 2.99Å; L549-I568 PolarHBondContact O-N 2.85Å; V551-I568 HydrophobicContact CG2-CD1 3.58Å; V551-I568 HydrophobicContact CG2-CG1 3.9Å; R566-I568 HydrophobicContact CB-CG2 4.19Å
569	E	97.1	Very high	91.8	Very high	129 Å²	129	74.4 Å²	74.4	60%	0.603	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	137.2	167.6	-167.9	176.7	152.8	0	0	109	G546 D547	G546-E569 WeakPolarHBondContact CA-OE1 3.49Å; D547-E569 CarbonylContact O-C 3.57Å
570	A	95.9	Very high	92.1	Very high	2 Å²	2	76.2 Å²	76.2	2%	0.017	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-63.1	124.6	175	0	0	0	0	0	109	I543 H544 G546 D547 L549	I543-A570 HydrophobicContact CG2-CB 3.67Å; H544-A570 WeakPolarHBondContact O-CB 3.33Å; G546-A570 PolarHBondContact N-O 3.3Å; D547-A570 HydrophobicContact CB-CB 4.21Å; D547-A570 WeakPolarHBondContact O-CB 3.44Å; D547-A570 PolarHBondContact O-N 3.36Å; L549-A570 HydrophobicContact CD1-CB 3.8Å; L549-A570 HydrophobicContact CG-CB 4.12Å
571	P	95.1	Very high	92.3	Very high	64 Å²	64	76.9 Å²	76.9	42%	0.416	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-61.9	158.5	-176.9	26.5	-34.9	0	0	0	110.9	I534 K538	I534-P571 HydrophobicContact CG2-CG 4.38Å; K538-P571 WeakPolarHBondContact CE-O 3.38Å; K538-P571 PolarHBondContact NZ-O 3.25Å
572	A	90.7	Very high	92.3	Very high	77 Å²	77	78.2 Å²	78.2	64%	0.636	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-57.3	157.8	164.8	0	0	0	0	0	110.7	K538	K538-A572 PolarHBondContact NZ-O 3.27Å
573	D	78.2	Confident	91.9	Very high	115 Å²	115	83.5 Å²	83.5	62%	0.615	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-63.6	139.4	167.2	-70.3	-28.9	0	0	0	109.3	K538	K538-D573 VanDerWaalsContact CD-OD1 3.31Å; K538-D573 WeakPolarHBondContact CD-OD1 3.47Å; K538-D573 WeakPolarHBondContact CE-OD1 3.12Å; K538-D573 IonicContact NZ-OD1 3.93Å; K538-D573 PolarHBondContact NZ-OD1 3.48Å
574	P	62.3	Low	91.6	Very high	196 Å²	196	84.6 Å²	84.6	100%	1.273	48%	0.479	S	S	*	.			trans	-63.2	0	-179.5	27	-34.8	0	0	0	113.3

Retrieved 574 of 574 residues in 507.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).