A0A087YMD4_POEFO Loading...

15-oxoprostaglandin 13-reductase

AlphaFold DB , UniProt , Accession A0A087YMD4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 412 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	31	Very low	31.4	Very low	248 Å²	248	122.9 Å²	122.9	100%	1.222	72%	0.719	S	S	*	*				0	103.6	0	-75.1	177.5	178.6	0	0	107.3	S3	M1-S3 PolarHBondContact O-N 2.6Å
2	A	27.2	Very low	31.3	Very low	106 Å²	106	125.4 Å²	125.4	88%	0.876	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-75	118.5	-177.2	0	0	0	0	0	109.3
3	S	25.3	Very low	31.8	Very low	106 Å²	106	125.7 Å²	125.7	74%	0.741	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-70.5	132.6	170.9	-179.5	0	0	0	0	108.7	M1 S5	M1-S3 PolarHBondContact O-N 2.6Å; S3-S5 PolarHBondContact O-N 2.79Å
4	P	27.1	Very low	31.5	Very low	112 Å²	112	121.9 Å²	121.9	73%	0.727	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-64.6	135.4	175.6	27.7	-31.5	0	0	0	109.3
5	S	30.1	Very low	31.5	Very low	113 Å²	113	130.5 Å²	130.5	79%	0.79	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-55	133.7	176.6	-44	0	0	0	0	110.1	S3	S3-S5 PolarHBondContact O-N 2.79Å
6	P	29	Very low	31.4	Very low	99 Å²	99	137.9 Å²	137.9	64%	0.643	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-64.4	151.6	175.8	27.4	-31.9	0	0	0	109.9	R8	P6-R8 PolarHBondContact O-N 2.64Å
7	P	27.8	Very low	31.2	Very low	129 Å²	129	136.1 Å²	136.1	84%	0.838	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-59.3	124	179.6	23.8	-31.5	0	0	0	109.9	L9	P7-L9 PolarHBondContact O-N 2.95Å
8	R	43.2	Very low	31.1	Very low	158 Å²	158	134.1 Å²	134.1	60%	0.596	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-59.3	133.4	172.4	-69	-174.4	176.9	179.3	9.6	108.5	P6 L10 E97	P6-R8 PolarHBondContact O-N 2.64Å; R8-L10 PolarHBondContact O-N 2.99Å; R8-E97 IonicContact CZ-OE1 3.19Å; R8-E97 IonicContact NH1-OE1 2.63Å; R8-E97 PolarHBondContact NH1-OE1 2.8Å; R8-E97 IonicContact NH2-OE1 2.92Å; R8-E97 PolarHBondContact NH2-OE1 2.81Å; R8-E97 IonicContact NH2-OE2 3.59Å
9	L	35.4	Very low	30.9	Very low	63 Å²	63	131.2 Å²	131.2	33%	0.33	77%	0.765	S	S	.	*			trans	-67.3	76.6	175.2	-166.4	79	0	0	0	109.5	P7 L11 D120 V123	P7-L9 PolarHBondContact O-N 2.95Å; L9-L11 HydrophobicContact CD2-CD1 4.46Å; L9-L11 PolarHBondContact O-N 3.07Å; L9-D120 HydrophobicContact CD1-CB 4.01Å; L9-D120 WeakPolarHBondContact CD1-OD2 3.1Å; L9-V123 HydrophobicContact CD1-CG2 4.19Å
10	L	35.1	Very low	30.6	Very low	121 Å²	121	130.1 Å²	130.1	63%	0.634	77%	0.765	S	S	*	*			trans	-71.3	105.9	157.8	-157.9	79.9	0	0	0	104.6	R8 L12	R8-L10 PolarHBondContact O-N 2.99Å; L10-L12 VanDerWaalsContact C-N 3.28Å; L10-L12 HydrophobicContact CD2-CD1 4.44Å; L10-L12 PolarHBondContact O-N 2.73Å
11	L	33.9	Very low	30.5	Very low	97 Å²	97	132.2 Å²	132.2	51%	0.508	77%	0.772	S	S	.	*			trans	-54.5	100.4	168.3	-100.2	111.2	0	0	0	107.3	L9 L13 F337	L9-L11 HydrophobicContact CD2-CD1 4.46Å; L9-L11 PolarHBondContact O-N 3.07Å; L11-L13 PolarHBondContact O-N 3.31Å; L11-F337 HydrophobicContact CD2-CE1 4.42Å
12	L	30.9	Very low	30.3	Very low	153 Å²	153	127 Å²	127	80%	0.801	75%	0.754	S	S	*	*			trans	-73.1	94.8	-173.3	-135.9	92	0	0	0	107.9	L10 G14	L10-L12 VanDerWaalsContact C-N 3.28Å; L10-L12 HydrophobicContact CD2-CD1 4.44Å; L10-L12 PolarHBondContact O-N 2.73Å; L12-G14 PolarHBondContact O-N 3.1Å
13	L	37.3	Very low	30.2	Very low	129 Å²	129	125.1 Å²	125.1	68%	0.675	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-66.6	116.1	169	-71.6	165.4	0	0	0	108.3	L11 R15	L11-L13 PolarHBondContact O-N 3.31Å; L13-R15 PolarHBondContact O-N 3.27Å
14	G	28.1	Very low	30.3	Very low	73 Å²	73	131.8 Å²	131.8	75%	0.753	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-57.4	124.3	-175.3	0	0	0	0	0	113.1	L12 R16	L12-G14 PolarHBondContact O-N 3.1Å; G14-R16 PolarHBondContact O-N 3.4Å
15	R	31.1	Very low	30.3	Very low	251 Å²	251	130.9 Å²	130.9	95%	0.947	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-72.7	120.2	163.3	-78.5	-176.1	171	-166.4	-2.2	108.9	L13 A17	L13-R15 PolarHBondContact O-N 3.27Å; R15-A17 PolarHBondContact O-N 2.92Å
16	R	29.6	Very low	30.4	Very low	249 Å²	249	131.5 Å²	131.5	94%	0.94	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-66.2	127.7	165.2	-79.8	-175.4	173.6	-160.7	-1.6	109.4	G14	G14-R16 PolarHBondContact O-N 3.4Å
17	A	27.7	Very low	30.3	Very low	106 Å²	106	131.3 Å²	131.3	88%	0.876	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-71.7	127	168.1	0	0	0	0	0	109.8	R15	R15-A17 PolarHBondContact O-N 2.92Å
18	A	30.8	Very low	30.4	Very low	100 Å²	100	129.4 Å²	129.4	83%	0.826	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-101.3	133.8	160.5	0	0	0	0	0	107.8
19	G	26.8	Very low	29.6	Very low	79 Å²	79	133.7 Å²	133.7	81%	0.814	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-68.6	163.1	-168.8	0	0	0	0	0	115.5
20	S	25.1	Very low	29.2	Very low	109 Å²	109	134.2 Å²	134.2	76%	0.762	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-51.5	151.4	174.7	64.6	0	0	0	0	114.1
21	L	27.3	Very low	28.9	Very low	175 Å²	175	134.5 Å²	134.5	92%	0.916	80%	0.795	S	S	*	*			trans	-153.6	137.5	132.8	-103.4	157.6	0	0	0	110.7
22	V	27.3	Very low	28.6	Very low	140 Å²	140	137.2 Å²	137.2	85%	0.848	81%	0.811	S	S	*	*			trans	-82.9	148.2	-174.7	170.5	0	0	0	0	110.3
23	G	25.5	Very low	28.5	Very low	66 Å²	66	134.2 Å²	134.2	68%	0.68	81%	0.808	S	S	*	*			trans	167.8	88.2	160.6	0	0	0	0	0	118.7
24	R	26.5	Very low	28.2	Very low	246 Å²	246	136.4 Å²	136.4	93%	0.928	82%	0.819	S	S	*	*			trans	44.8	125	139.5	-76.2	179	167.1	-174.8	-4.2	122
25	A	27.8	Very low	28.1	Very low	92 Å²	92	138.2 Å²	138.2	76%	0.76	82%	0.821	S	S	*	*			trans	-74.8	166.9	150.1	0	0	0	0	0	112.2
26	P	33.1	Very low	28	Very low	126 Å²	126	129.8 Å²	129.8	82%	0.818	81%	0.812	S	S	*	*				-142	152.6	110.8	32.5	-15.2	0	0	0	116.8
27	A	26.9	Very low	28.1	Very low	96 Å²	96	125 Å²	125	79%	0.793	81%	0.81	S	S	*	*			trans	-11.4	159.5	144.8	0	0	0	0	0	118.9
28	A	28.8	Very low	28.3	Very low	89 Å²	89	130.8 Å²	130.8	74%	0.736	81%	0.809	S	S	*	*			cis	-177.7	175.3	3.3	0	0	0	0	0	110.8
29	R	27.5	Very low	28.4	Very low	248 Å²	248	131.7 Å²	131.7	94%	0.936	81%	0.806	S	S	*	*			trans	88.2	147.3	158.1	-68	-178	173.1	-179.6	-2	118.2
30	A	26.3	Very low	28.6	Very low	74 Å²	74	134.6 Å²	134.6	61%	0.612	81%	0.808	S	S	*	*			cis	-175.6	169.4	-23.7	0	0	0	0	0	106.6
31	T	29	Very low	29.2	Very low	126 Å²	126	135.3 Å²	135.3	77%	0.773	81%	0.808	S	S	*	*			trans	75.8	139.2	167.8	82.6	0	0	0	0	115.9
32	D	27.8	Very low	29.5	Very low	155 Å²	155	132.1 Å²	132.1	83%	0.829	80%	0.797	S	S	*	*			cis	-148.7	158.2	21.6	-103.3	-41.9	0	0	0	112.4
33	A	28.2	Very low	29.7	Very low	89 Å²	89	135.8 Å²	135.8	74%	0.736	80%	0.796	S	S	*	*			trans	-81.2	148.5	174.6	0	0	0	0	0	111.8
34	L	30.1	Very low	29.9	Very low	175 Å²	175	143.2 Å²	143.2	92%	0.916	80%	0.804	S	S	*	*			trans	-158.5	131.2	137.5	-101	170.2	0	0	0	110.5
35	S	27.8	Very low	30.1	Very low	112 Å²	112	139.6 Å²	139.6	78%	0.783	80%	0.795	S	S	*	*			trans	-68.6	144.7	-173.7	50.9	0	0	0	0	114.8
36	G	28.1	Very low	30.3	Very low	74 Å²	74	142.1 Å²	142.1	76%	0.763	79%	0.794	S	S	*	*			trans	-165.3	89.7	163.5	0	0	0	0	0	111.8
37	V	32.1	Very low	30.5	Very low	148 Å²	148	142.6 Å²	142.6	90%	0.897	79%	0.788	S	S	*	*			trans	-66.8	125.1	177.2	174.6	0	0	0	0	110.2
38	R	31.2	Very low	30.9	Very low	228 Å²	228	142 Å²	142	86%	0.86	77%	0.772	S	S	*	*			trans	-134.6	147.3	160	-79.5	-171.5	179	-168.8	0.5	109.6
39	P	32.5	Very low	31.5	Very low	118 Å²	118	142.7 Å²	142.7	77%	0.766	77%	0.767	S	S	*	*			trans	-71.8	135.1	-165.8	4.6	6.9	0	0	0	112.1	V41	P39-V41 PolarHBondContact O-N 3.43Å
40	T	32.6	Very low	32.1	Very low	140 Å²	140	133.8 Å²	133.8	86%	0.859	74%	0.743	S	S	*	*			trans	-73.3	97.3	171.4	40.7	0	0	0	0	110
41	V	36	Very low	33	Very low	124 Å²	124	138.2 Å²	138.2	75%	0.752	75%	0.745	S	S	*	*			trans	-75.6	122.2	160	-178.1	0	0	0	0	106.9	P39 R43	P39-V41 PolarHBondContact O-N 3.43Å; V41-R43 PolarHBondContact O-N 3.16Å
42	P	33.5	Very low	33.8	Very low	108 Å²	108	136.6 Å²	136.6	70%	0.701	74%	0.739	S	S	*	*			trans	-66	110.1	174.3	26.1	-29.9	0	0	0	107.9	R44	P42-R44 VanDerWaalsContact C-N 3.26Å; P42-R44 PolarHBondContact O-N 3.05Å
43	R	32.9	Very low	34.5	Very low	218 Å²	218	132.5 Å²	132.5	82%	0.823	73%	0.727	S	S	*	*			trans	-63.5	94.4	164.3	-81.5	-174	174.9	-176	-1.2	107.1	V41 F45	V41-R43 PolarHBondContact O-N 3.16Å; R43-F45 VanDerWaalsContact C-N 3.31Å; R43-F45 PolarHBondContact O-N 3.48Å
44	R	28.4	Very low	35.2	Very low	221 Å²	221	135.3 Å²	135.3	83%	0.834	72%	0.724	S	S	*	*			trans	-61.8	102.1	157	-76.2	-176.9	177	178.2	-0.4	105.8	P42 I46	P42-R44 VanDerWaalsContact C-N 3.26Å; P42-R44 PolarHBondContact O-N 3.05Å; R44-I46 HydrophobicContact CB-CG1 4.4Å; R44-I46 PolarHBondContact O-N 2.8Å
45	F	31	Very low	36	Very low	171 Å²	171	133.4 Å²	133.4	75%	0.75	71%	0.709	S	S	*	*			trans	-63.8	92.9	154.8	-75.5	-85.7	0	0	0	105.8	R43 I47	R43-F45 VanDerWaalsContact C-N 3.31Å; R43-F45 PolarHBondContact O-N 3.48Å; F45-I47 HydrophobicContact CB-CG1 4.37Å; F45-I47 PolarHBondContact O-N 3.13Å
46	I	32.6	Very low	37	Very low	145 Å²	145	130.8 Å²	130.8	74%	0.744	69%	0.685	S	S	*	*			trans	-71.4	88.2	155.5	-59	175.4	0	0	0	103.2	R44 D48	R44-I46 HydrophobicContact CB-CG1 4.4Å; R44-I46 PolarHBondContact O-N 2.8Å; I46-D48 HydrophobicContact CG2-CB 4.22Å; I46-D48 PolarHBondContact O-N 3.48Å
47	I	36.7	Very low	37.7	Very low	135 Å²	135	132.4 Å²	132.4	69%	0.692	68%	0.676	S	S	*	*			trans	-68.9	93.1	156.9	-61	178.5	0	0	0	103.1	F45 T49	F45-I47 HydrophobicContact CB-CG1 4.37Å; F45-I47 PolarHBondContact O-N 3.13Å; I47-T49 VanDerWaalsContact C-N 3.28Å; I47-T49 HydrophobicContact CG2-CG2 4Å; I47-T49 PolarHBondContact O-N 3.39Å
48	D	35.6	Very low	38.5	Very low	84 Å²	84	130.7 Å²	130.7	45%	0.449	66%	0.657	S	S	.	*			trans	-68.8	94.9	170.6	-173	3.7	0	0	0	107.5	I46 S50 Y51	I46-D48 HydrophobicContact CG2-CB 4.22Å; I46-D48 PolarHBondContact O-N 3.48Å; D48-S50 PolarHBondContact O-N 3.02Å; D48-S50 WeakPolarHBondContact OD1-CA 3.29Å; D48-S50 WeakPolarHBondContact OD1-CB 3.41Å; D48-S50 PolarHBondContact OD1-N 2.96Å; D48-S50 PolarHBondContact OD1-OG 3.45Å; D48-S50 PolarHBondContact OD2-OG 2.8Å; D48-Y51 PolarHBondContact O-N 2.89Å
49	T	41.8	Very low	39	Very low	104 Å²	104	130 Å²	130	64%	0.638	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-71.7	-0.3	172.8	51.6	0	0	0	0	112.1	I47 Y51 S52	I47-T49 VanDerWaalsContact C-N 3.28Å; I47-T49 HydrophobicContact CG2-CG2 4Å; I47-T49 PolarHBondContact O-N 3.39Å; T49-Y51 PolarHBondContact O-N 2.94Å; T49-S52 WeakPolarHBondContact O-CB 3.48Å; T49-S52 PolarHBondContact O-N 3.46Å; T49-S52 PolarHBondContact O-OG 3.4Å
50	S	40.6	Very low	39.5	Very low	61 Å²	61	127.1 Å²	127.1	43%	0.427	65%	0.651	S	S	.	*	G	3₁₀ helix	trans	-69.7	-20.1	170.9	81.9	0	0	0	0	112.6	D48 S52 A53	D48-S50 PolarHBondContact O-N 3.02Å; D48-S50 WeakPolarHBondContact OD1-CA 3.29Å; D48-S50 WeakPolarHBondContact OD1-CB 3.41Å; D48-S50 PolarHBondContact OD1-N 2.96Å; D48-S50 PolarHBondContact OD1-OG 3.45Å; D48-S50 PolarHBondContact OD2-OG 2.8Å; S50-S52 PolarHBondContact O-N 3.27Å; S50-A53 WeakPolarHBondContact O-CB 3.35Å; S50-A53 PolarHBondContact O-N 3Å; S50-A53 VanDerWaalsContact O-N 3.11Å
51	Y	44.4	Very low	40.5	Very low	166 Å²	166	122.3 Å²	122.3	65%	0.651	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-67.3	-24.1	173.7	-117.4	-92.2	0	0	0	113.3	D48 T49 A53 H54	D48-Y51 PolarHBondContact O-N 2.89Å; T49-Y51 PolarHBondContact O-N 2.94Å; Y51-A53 PolarHBondContact O-N 3.41Å; Y51-H54 PolarHBondContact O-N 3.28Å
52	S	45.3	Very low	42.1	Very low	92 Å²	92	122 Å²	122	64%	0.643	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-67.3	-19.7	173.8	-45.1	0	0	0	0	112.6	T49 S50	T49-S52 WeakPolarHBondContact O-CB 3.48Å; T49-S52 PolarHBondContact O-N 3.46Å; T49-S52 PolarHBondContact O-OG 3.4Å; S50-S52 PolarHBondContact O-N 3.27Å
53	A	42.8	Very low	44.6	Very low	70 Å²	70	118.1 Å²	118.1	58%	0.579	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-87.7	-8.5	177.5	0	0	0	0	0	113.2	S50 Y51	S50-A53 WeakPolarHBondContact O-CB 3.35Å; S50-A53 PolarHBondContact O-N 3Å; S50-A53 VanDerWaalsContact O-N 3.11Å; Y51-A53 PolarHBondContact O-N 3.41Å
54	H	42.9	Very low	47.3	Very low	147 Å²	147	110.2 Å²	110.2	68%	0.681	58%	0.577	S	S	*	*	S	Bend	trans	-89.5	-9.7	-175.6	-94.1	-42.7	0	0	0	115.4	Y51	Y51-H54 PolarHBondContact O-N 3.28Å
55	F	48.2	Very low	50.2	Low	136 Å²	136	104.9 Å²	104.9	60%	0.596	57%	0.573	S	S	*	*	S	Bend	trans	-106.1	2.8	173.6	-87.6	-83.1	0	0	0	114.4	L142	F55-L142 HydrophobicContact CD2-CD1 4.12Å; F55-L142 HydrophobicContact CE2-CD1 4.32Å
56	M	48.9	Very low	53.2	Low	56 Å²	56	99.4 Å²	99.4	28%	0.276	56%	0.556	S	S	.	*			trans	-111.3	99	166.8	-59.7	-163.5	167.9	0	0	107.5	F58 T92 P93	M56-F58 HydrophobicContact CB-CD2 3.8Å; M56-F58 HydrophobicContact CB-CE2 4.48Å; M56-F58 PolarHBondContact O-N 3.01Å; M56-F58 HydrophobicContact SD-CD2 4.01Å; M56-F58 HydrophobicContact SD-CE2 3.84Å; M56-T92 HydrophobicContact CE-CG2 3.83Å; M56-T92 HydrophobicContact SD-CG2 3.98Å; M56-P93 HydrophobicContact CE-CG 4.03Å
57	D	42.6	Very low	56.2	Low	109 Å²	109	92.9 Å²	92.9	58%	0.583	52%	0.523	S	S	*	.			trans	-70.1	63.7	167.4	-168.9	8.2	0	0	0	109.7	K59 G60 S61	D57-K59 PolarHBondContact O-N 2.8Å; D57-G60 WeakPolarHBondContact OD1-CA 3.49Å; D57-G60 PolarHBondContact OD1-N 3.33Å; D57-S61 WeakPolarHBondContact O-CA 3.31Å; D57-S61 WeakPolarHBondContact O-CB 3.28Å; D57-S61 PolarHBondContact O-N 3.02Å; D57-S61 PolarHBondContact O-OG 3.14Å
58	F	48	Very low	59.1	Low	111 Å²	111	90 Å²	90	49%	0.487	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-8.9	176.6	-111.3	-73.4	0	0	0	112.3	M56	M56-F58 HydrophobicContact CB-CD2 3.8Å; M56-F58 HydrophobicContact CB-CE2 4.48Å; M56-F58 PolarHBondContact O-N 3.01Å; M56-F58 HydrophobicContact SD-CD2 4.01Å; M56-F58 HydrophobicContact SD-CE2 3.84Å
59	K	41.2	Very low	62.1	Low	215 Å²	215	87.9 Å²	87.9	94%	0.935	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-18	179.9	-73.8	-173.5	175.5	-179.5	0	113.4	D57	D57-K59 PolarHBondContact O-N 2.8Å
60	G	44.1	Very low	64.8	Low	56 Å²	56	83 Å²	83	58%	0.577	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-15.2	168.1	0	0	0	0	0	115.1	D57	D57-G60 WeakPolarHBondContact OD1-CA 3.49Å; D57-G60 PolarHBondContact OD1-N 3.33Å
61	S	53.5	Low	67.5	Low	40 Å²	40	80.6 Å²	80.6	28%	0.28	44%	0.444	S	S	.	.			trans	-77.5	131.5	-178	61.7	0	0	0	0	112.8	D57 I63	D57-S61 WeakPolarHBondContact O-CA 3.31Å; D57-S61 WeakPolarHBondContact O-CB 3.28Å; D57-S61 PolarHBondContact O-N 3.02Å; D57-S61 PolarHBondContact O-OG 3.14Å; S61-I63 PolarHBondContact O-N 3.27Å
62	S	69.9	Low	70.1	Confident	116 Å²	116	72.7 Å²	72.7	81%	0.811	41%	0.413	S	S	*	.			trans	-70.4	26.1	174.3	56.4	0	0	0	0	114
63	I	84.6	Confident	72.6	Confident	28 Å²	28	70.8 Å²	70.8	14%	0.144	40%	0.398	C	S	.	.			trans	-82.8	122.6	-178.6	-56.8	171.5	0	0	0	108.7	S61 V90 L99 V138 Y165	S61-I63 PolarHBondContact O-N 3.27Å; I63-V90 HydrophobicContact CG2-CG1 3.89Å; I63-L99 HydrophobicContact CD1-CD2 4.38Å; I63-L99 HydrophobicContact CG2-CD2 4.48Å; I63-V138 HydrophobicContact CD1-CB 4.17Å; I63-V138 HydrophobicContact CD1-CG2 4.15Å; I63-V138 WeakPolarHBondContact CD1-O 3.39Å; I63-V138 HydrophobicContact CG1-CB 4.29Å; I63-V138 HydrophobicContact CG1-CG2 4.37Å; I63-Y165 HydrophobicContact CG2-CE1 4.48Å
64	P	89.3	Confident	75.3	Confident	51 Å²	51	72.5 Å²	72.5	33%	0.331	39%	0.392	S	S	.	.			trans	-70.4	154.3	-178.5	30.2	-35	0	0	0	111.7	S66 V90 Y165	P64-S66 WeakPolarHBondContact CB-O 3.43Å; P64-S66 WeakPolarHBondContact CG-O 3.16Å; P64-S66 PolarHBondContact O-N 2.96Å; P64-V90 HydrophobicContact CG-CG2 4.22Å; P64-V90 WeakPolarHBondContact O-CG2 3.45Å; P64-Y165 WeakPolarHBondContact CD-OH 3.46Å; P64-Y165 HydrophobicContact CG-CE2 3.78Å
65	S	89.4	Confident	77.9	Confident	110 Å²	110	68.4 Å²	68.4	77%	0.769	38%	0.375	S	S	*	.	S	Bend	trans	-69.7	-21.3	175.4	56.8	0	0	0	0	113.3	A89 V90	S65-A89 WeakPolarHBondContact O-CA 3.43Å; S65-V90 PolarHBondContact O-N 2.71Å
66	S	94.4	Very high	80.3	Confident	55 Å²	55	62.6 Å²	62.6	39%	0.385	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	157.2	179.4	59.2	0	0	0	0	111.8	P64 V88	P64-S66 WeakPolarHBondContact CB-O 3.43Å; P64-S66 WeakPolarHBondContact CG-O 3.16Å; P64-S66 PolarHBondContact O-N 2.96Å; S66-V88 CarbonylContact C-O 3.32Å; S66-V88 WeakPolarHBondContact CA-O 3.4Å; S66-V88 VanDerWaalsContact CB-O 3.32Å; S66-V88 WeakPolarHBondContact CB-O 3.37Å
67	M	96.1	Very high	82.5	Confident	8 Å²	8	62.7 Å²	62.7	4%	0.039	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	161.6	178.2	64	174.5	-163.5	0	0	111.1	K69 T87 V88 V90 P91 A163 E164 Y165	M67-K69 HydrophobicContact CE-CD 4.28Å; M67-T87 CarbonylContact O-C 3.59Å; M67-T87 VanDerWaalsContact O-CA 3.31Å; M67-T87 WeakPolarHBondContact O-CA 3.42Å; M67-V88 HydrophobicContact CE-CG2 3.81Å; M67-V88 HydrophobicContact CG-CG2 3.94Å; M67-V88 PolarHBondContact N-O 2.92Å; M67-V88 PolarHBondContact O-N 2.75Å; M67-V90 HydrophobicContact CB-CG2 3.78Å; M67-V90 HydrophobicContact CG-CG2 3.91Å; M67-V90 HydrophobicContact SD-CG2 4.18Å; M67-P91 VanDerWaalsContact CE-CD 3.47Å; M67-P91 HydrophobicContact CE-CG 4.19Å; M67-A163 HydrophobicContact CE-CB 4.37Å; M67-E164 WeakPolarHBondContact CA-OE2 3.4Å; M67-E164 HydrophobicContact CB-CB 4.17Å; M67-E164 WeakPolarHBondContact CB-OE2 3.47Å; M67-Y165 HydrophobicContact CB-CD2 3.87Å; M67-Y165 HydrophobicContact CB-CE2 4.37Å; M67-Y165 WeakPolarHBondContact CE-O 3.33Å; M67-Y165 HydrophobicContact CG-CD2 4.49Å; M67-Y165 VanDerWaalsContact SD-CB 3.6Å; M67-Y165 HydrophobicContact SD-CD2 3.86Å; M67-Y165 HydrophobicContact SD-CG 4.21Å; M67-Y165 VanDerWaalsContact SD-O 3.35Å
68	K	97.6	Very high	85.2	Confident	76 Å²	76	60.8 Å²	60.8	33%	0.33	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	144.2	166.2	-66.1	179.1	178.6	-178.3	0	111	V85 R86 E164 L379 E380	K68-V85 HydrophobicContact CB-CG1 4.31Å; K68-V85 HydrophobicContact CD-CG1 4.27Å; K68-V85 HydrophobicContact CG-CG1 4.37Å; K68-R86 CarbonylContact C-O 3.46Å; K68-R86 WeakPolarHBondContact CA-O 3.45Å; K68-E164 HydrophobicContact CB-CG 4.31Å; K68-E164 PolarHBondContact N-OE2 3.45Å; K68-E164 PolarHBondContact O-N 3.13Å; K68-L379 HydrophobicContact CB-CD1 3.81Å; K68-L379 VanDerWaalsContact O-CD1 3.28Å; K68-L379 WeakPolarHBondContact O-CD1 3.22Å; K68-E380 IonicContact NZ-OE1 2.72Å; K68-E380 PolarHBondContact NZ-OE1 3.28Å
69	K	98.1	Very high	87.6	Confident	38 Å²	38	55.8 Å²	55.8	17%	0.165	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	160.5	164.1	68.7	173.3	-178.4	176.4	0	111.9	M67 V71 R86 V88 D128 F162 A163	M67-K69 HydrophobicContact CE-CD 4.28Å; K69-V71 HydrophobicContact CD-CG2 4.16Å; K69-V71 HydrophobicContact CG-CG2 3.88Å; K69-R86 PolarHBondContact N-O 3.33Å; K69-R86 PolarHBondContact O-N 3.45Å; K69-V88 HydrophobicContact CD-CG2 4.04Å; K69-V88 HydrophobicContact CG-CG2 4.01Å; K69-D128 WeakPolarHBondContact CE-OD1 3.47Å; K69-D128 IonicContact NZ-OD1 2.66Å; K69-D128 PolarHBondContact NZ-OD1 3.02Å; K69-D128 IonicContact NZ-OD2 2.96Å; K69-D128 PolarHBondContact NZ-OD2 3.35Å; K69-F162 CarbonylContact C-O 3.54Å; K69-F162 WeakPolarHBondContact CA-O 3.29Å; K69-A163 HydrophobicContact CB-CB 3.52Å
70	L	98.6	Very high	90.3	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	128.5	170.1	-62.6	-167.9	0	0	0	110.4	F79 V83 V85 A129 F162 L379 V382 F383	L70-F79 HydrophobicContact CD1-CE1 4.46Å; L70-F79 HydrophobicContact CD1-CZ 4.47Å; L70-V83 HydrophobicContact CB-CG1 3.65Å; L70-V83 HydrophobicContact CD1-CG1 4.21Å; L70-V83 HydrophobicContact CD2-CG1 4.39Å; L70-V83 HydrophobicContact CG-CG1 4.3Å; L70-V85 HydrophobicContact CD2-CB 4.16Å; L70-V85 HydrophobicContact CD2-CG2 3.49Å; L70-V85 VanDerWaalsContact CD2-CG2 3.49Å; L70-A129 HydrophobicContact CB-CB 4.27Å; L70-A129 PolarHBondContact O-N 3.06Å; L70-F162 HydrophobicContact CB-CB 3.79Å; L70-F162 HydrophobicContact CD1-CB 3.96Å; L70-F162 HydrophobicContact CD1-CD2 3.94Å; L70-F162 HydrophobicContact CD1-CG 4.22Å; L70-F162 HydrophobicContact CG-CB 3.98Å; L70-F162 PolarHBondContact N-O 3.47Å; L70-L379 HydrophobicContact CD2-CB 4.41Å; L70-L379 HydrophobicContact CG-CB 4.45Å; L70-V382 HydrophobicContact CD1-CB 3.66Å; L70-V382 HydrophobicContact CD1-CG1 3.61Å; L70-V382 HydrophobicContact CD1-CG2 3.93Å; L70-F383 HydrophobicContact CD1-CE2 4.44Å; L70-F383 HydrophobicContact CD2-CE2 3.87Å; L70-F383 HydrophobicContact CD2-CZ 3.98Å
71	V	98.5	Very high	92.8	Very high	11 Å²	11	53.8 Å²	53.8	7%	0.067	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	129	-178.5	-177.6	0	0	0	0	108.6	K69 T73 V83 S84 R86 P126	K69-V71 HydrophobicContact CD-CG2 4.16Å; K69-V71 HydrophobicContact CG-CG2 3.88Å; V71-T73 HydrophobicContact CG1-CG2 4.3Å; V71-T73 PolarHBondContact O-N 3.05Å; V71-V83 WeakPolarHBondContact O-CA 3.36Å; V71-S84 PolarHBondContact N-O 2.8Å; V71-S84 PolarHBondContact O-N 2.9Å; V71-R86 HydrophobicContact CB-CG 4.08Å; V71-R86 HydrophobicContact CG2-CB 4.06Å; V71-R86 HydrophobicContact CG2-CG 3.83Å; V71-P126 HydrophobicContact CG1-CB 3.62Å
72	V	98.6	Very high	95	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	113.6	167.3	-175.8	0	0	0	0	107.5	K74 A82 V83 P125 P126 F127 A129	V72-K74 WeakPolarHBondContact CG1-O 3.08Å; V72-A82 CarbonylContact C-O 3.55Å; V72-A82 WeakPolarHBondContact CA-O 3.3Å; V72-V83 HydrophobicContact CG2-CG2 4.06Å; V72-P125 HydrophobicContact CG1-CG 4.45Å; V72-P125 WeakPolarHBondContact O-CB 3.5Å; V72-P126 VanDerWaalsContact O-CA 3.31Å; V72-P126 WeakPolarHBondContact O-CA 3.27Å; V72-F127 HydrophobicContact CB-CD1 4.48Å; V72-F127 HydrophobicContact CB-CD2 3.88Å; V72-F127 HydrophobicContact CB-CE1 4.22Å; V72-F127 HydrophobicContact CB-CE2 3.6Å; V72-F127 HydrophobicContact CB-CG 4.32Å; V72-F127 HydrophobicContact CB-CZ 3.79Å; V72-F127 HydrophobicContact CG1-CE1 4.03Å; V72-F127 HydrophobicContact CG1-CE2 3.88Å; V72-F127 HydrophobicContact CG1-CZ 3.56Å; V72-F127 HydrophobicContact CG2-CD2 3.86Å; V72-F127 HydrophobicContact CG2-CE2 3.49Å; V72-F127 VanDerWaalsContact CG2-CE2 3.49Å; V72-F127 HydrophobicContact CG2-CZ 4.09Å; V72-F127 PolarHBondContact N-O 2.85Å; V72-F127 PolarHBondContact O-N 2.7Å; V72-A129 HydrophobicContact CG2-CB 4.19Å
73	T	98.3	Very high	96.3	Very high	52 Å²	52	46.6 Å²	46.6	32%	0.319	24%	0.242	S	C	.	.			trans	-105.3	-17.3	-179	47.4	0	0	0	0	112.9	V71 A82 S84 P125	V71-T73 HydrophobicContact CG1-CG2 4.3Å; V71-T73 PolarHBondContact O-N 3.05Å; T73-A82 PolarHBondContact N-O 2.81Å; T73-A82 PolarHBondContact OG1-O 2.97Å; T73-S84 PolarHBondContact OG1-OG 2.83Å; T73-P125 WeakPolarHBondContact O-CB 3.37Å
74	K	97.7	Very high	97	Very high	106 Å²	106	47 Å²	47	46%	0.461	25%	0.248	S	C	.	.	S	Bend	trans	-143.5	141.6	177.8	178	-173.3	173.3	-165.3	0	108.1	V72 S76 E81 A82	V72-K74 WeakPolarHBondContact CG1-O 3.08Å; K74-S76 PolarHBondContact O-N 3.4Å; K74-E81 IonicContact NZ-OE2 2.8Å; K74-E81 PolarHBondContact NZ-OE2 3.4Å; K74-A82 PolarHBondContact N-O 2.91Å; K74-A82 VanDerWaalsContact O-CA 3.31Å; K74-A82 WeakPolarHBondContact O-CA 3.25Å; K74-A82 VanDerWaalsContact O-CB 3.28Å; K74-A82 WeakPolarHBondContact O-CB 3.02Å
75	L	98.2	Very high	97.4	Very high	62 Å²	62	46.9 Å²	46.9	33%	0.325	25%	0.246	S	C	.	.			trans	-75.2	114.8	172	-61.8	-178.4	0	0	0	109.3	S115 P125 F127	L75-S115 WeakPolarHBondContact CA-O 3.4Å; L75-P125 HydrophobicContact CD2-CG 3.8Å; L75-P125 HydrophobicContact CG-CG 3.88Å; L75-F127 HydrophobicContact CD2-CE1 3.74Å; L75-F127 HydrophobicContact CD2-CZ 3.78Å
76	S	98.1	Very high	97.8	Very high	13 Å²	13	47.6 Å²	47.6	9%	0.091	23%	0.232	C	C	.	.			trans	-160.9	149.6	174.5	-175.5	0	0	0	0	110.9	K74 D78 S115 A116	K74-S76 PolarHBondContact O-N 3.4Å; S76-D78 VanDerWaalsContact C-N 3.29Å; S76-D78 PolarHBondContact OG-N 3.09Å; S76-S115 PolarHBondContact N-O 2.94Å; S76-S115 CarbonylContact O-C 3.55Å; S76-S115 VanDerWaalsContact O-C 3.24Å; S76-S115 PolarHBondContact O-OG 3.35Å; S76-A116 WeakPolarHBondContact O-CA 3.41Å; S76-A116 PolarHBondContact O-N 3.48Å
77	Q	96.6	Very high	97.9	Very high	58 Å²	58	49.7 Å²	49.7	27%	0.271	24%	0.242	S	C	.	.	S	Bend	trans	-78.9	-13.7	167.7	75.4	-71.8	-12	0	0	112.9	F79 I112 A116 Y308 Q309	Q77-F79 PolarHBondContact O-N 3.16Å; Q77-I112 WeakPolarHBondContact O-CB 3.47Å; Q77-A116 HydrophobicContact CB-CB 4.24Å; Q77-Y308 WeakPolarHBondContact CB-O 3.46Å; Q77-Q309 WeakPolarHBondContact CG-O 3.46Å
78	D	98.1	Very high	97.9	Very high	69 Å²	69	51.4 Å²	51.4	37%	0.369	25%	0.253	S	S	.	.			trans	-77.8	106.4	163.8	-173.8	-34.3	0	0	0	108.2	S76 R80 E81 A82	S76-D78 VanDerWaalsContact C-N 3.29Å; S76-D78 PolarHBondContact OG-N 3.09Å; D78-R80 VanDerWaalsContact C-N 3.27Å; D78-R80 PolarHBondContact O-N 3.39Å; D78-R80 WeakPolarHBondContact OD1-CB 3.27Å; D78-R80 PolarHBondContact OD1-N 3.15Å; D78-E81 HydrophobicContact CB-CB 4.09Å; D78-E81 HydrophobicContact CB-CG 4.11Å; D78-E81 PolarHBondContact O-N 2.91Å; D78-E81 PolarHBondContact OD1-N 3.45Å; D78-E81 VanDerWaalsContact OD1-N 3.16Å; D78-A82 VanDerWaalsContact O-CB 3.26Å; D78-A82 WeakPolarHBondContact O-CB 3.06Å; D78-A82 PolarHBondContact O-N 2.64Å
79	F	98.3	Very high	97.8	Very high	7 Å²	7	51.2 Å²	51.2	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-62.5	-34.5	-176.7	-167	-98.9	0	0	0	112.6	L70 Q77 A82 V83 D111 I112 F162 V382 F383 V386	L70-F79 HydrophobicContact CD1-CE1 4.46Å; L70-F79 HydrophobicContact CD1-CZ 4.47Å; Q77-F79 PolarHBondContact O-N 3.16Å; F79-A82 PolarHBondContact O-N 3.26Å; F79-V83 HydrophobicContact CD1-CB 4.46Å; F79-V83 HydrophobicContact CD1-CG2 4.4Å; F79-V83 HydrophobicContact CD2-CG2 3.83Å; F79-V83 HydrophobicContact CE1-CB 4.16Å; F79-V83 HydrophobicContact CE1-CG1 4.29Å; F79-V83 HydrophobicContact CE1-CG2 4.17Å; F79-V83 HydrophobicContact CE2-CB 4.46Å; F79-V83 HydrophobicContact CE2-CG2 3.6Å; F79-V83 HydrophobicContact CG-CG2 4.24Å; F79-V83 HydrophobicContact CZ-CB 4.17Å; F79-V83 HydrophobicContact CZ-CG1 4.14Å; F79-V83 HydrophobicContact CZ-CG2 3.78Å; F79-V83 WeakPolarHBondContact O-CB 3.36Å; F79-V83 PolarHBondContact O-N 3.44Å; F79-D111 HydrophobicContact CE2-CB 4.16Å; F79-I112 HydrophobicContact CB-CG2 3.97Å; F79-I112 HydrophobicContact CD2-CG2 4.23Å; F79-I112 HydrophobicContact CG-CG2 4.47Å; F79-F162 HydrophobicContact CE2-CE2 4.44Å; F79-F162 HydrophobicContact CZ-CD2 4.19Å; F79-F162 AromaticContact CZ-CE2 3.92Å; F79-F162 HydrophobicContact CZ-CE2 3.92Å; F79-V382 HydrophobicContact CE1-CG1 3.84Å; F79-V382 HydrophobicContact CZ-CG1 4Å; F79-F383 AromaticContact CD1-CD1 3.74Å; F79-F383 HydrophobicContact CD1-CD1 3.74Å; F79-F383 HydrophobicContact CD1-CE1 4.12Å; F79-F383 AromaticContact CE1-CD1 3.94Å; F79-F383 HydrophobicContact CE1-CD1 3.94Å; F79-F383 HydrophobicContact CE1-CE1 4.09Å; F79-V386 HydrophobicContact CB-CG1 4.01Å; F79-V386 HydrophobicContact CD1-CB 4.35Å; F79-V386 HydrophobicContact CD1-CG1 4.45Å; F79-V386 HydrophobicContact CD1-CG2 4.01Å; F79-V386 HydrophobicContact CE1-CG2 4.1Å; F79-V386 HydrophobicContact CG-CG1 4.17Å; F79-V386 HydrophobicContact CG-CG2 4.25Å; F79-V386 HydrophobicContact CZ-CG2 4.39Å
80	R	97.8	Very high	97.7	Very high	125 Å²	125	50.3 Å²	50.3	47%	0.472	26%	0.264	S	S	.	.	H	α-helix	trans	-71.2	-35.6	-179.8	-68.9	178.8	170.8	-86.5	2.7	111.5	D78 F383 D387	D78-R80 VanDerWaalsContact C-N 3.27Å; D78-R80 PolarHBondContact O-N 3.39Å; D78-R80 WeakPolarHBondContact OD1-CB 3.27Å; D78-R80 PolarHBondContact OD1-N 3.15Å; R80-F383 HydrophobicContact CG-CB 4.39Å; R80-F383 HydrophobicContact CG-CD1 4Å; R80-D387 IonicContact CZ-OD2 3.72Å; R80-D387 IonicContact NE-OD1 2.96Å; R80-D387 IonicContact NE-OD2 3.45Å; R80-D387 PolarHBondContact NE-OD2 3.08Å; R80-D387 IonicContact NH2-OD2 3.44Å; R80-D387 PolarHBondContact NH2-OD2 2.92Å
81	E	97.7	Very high	97.5	Very high	104 Å²	104	52.5 Å²	52.5	49%	0.486	28%	0.278	S	S	.	.	H	α-helix	trans	-74.5	-35.9	172.1	-70.3	-164.9	-178.8	0	0	113	K74 D78	K74-E81 IonicContact NZ-OE2 2.8Å; K74-E81 PolarHBondContact NZ-OE2 3.4Å; D78-E81 HydrophobicContact CB-CB 4.09Å; D78-E81 HydrophobicContact CB-CG 4.11Å; D78-E81 PolarHBondContact O-N 2.91Å; D78-E81 PolarHBondContact OD1-N 3.45Å; D78-E81 VanDerWaalsContact OD1-N 3.16Å
82	A	98.2	Very high	97.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-75.3	-36.2	-173.1	0	0	0	0	0	112.9	V72 T73 K74 D78 F79	V72-A82 CarbonylContact C-O 3.55Å; V72-A82 WeakPolarHBondContact CA-O 3.3Å; T73-A82 PolarHBondContact N-O 2.81Å; T73-A82 PolarHBondContact OG1-O 2.97Å; K74-A82 PolarHBondContact N-O 2.91Å; K74-A82 VanDerWaalsContact O-CA 3.31Å; K74-A82 WeakPolarHBondContact O-CA 3.25Å; K74-A82 VanDerWaalsContact O-CB 3.28Å; K74-A82 WeakPolarHBondContact O-CB 3.02Å; D78-A82 VanDerWaalsContact O-CB 3.26Å; D78-A82 WeakPolarHBondContact O-CB 3.06Å; D78-A82 PolarHBondContact O-N 2.64Å; F79-A82 PolarHBondContact O-N 3.26Å
83	V	98.6	Very high	97.2	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.024	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135.6	-163.9	-176.5	0	0	0	0	111.7	L70 V71 V72 F79 F383	L70-V83 HydrophobicContact CB-CG1 3.65Å; L70-V83 HydrophobicContact CD1-CG1 4.21Å; L70-V83 HydrophobicContact CD2-CG1 4.39Å; L70-V83 HydrophobicContact CG-CG1 4.3Å; V71-V83 WeakPolarHBondContact O-CA 3.36Å; V72-V83 HydrophobicContact CG2-CG2 4.06Å; F79-V83 HydrophobicContact CD1-CB 4.46Å; F79-V83 HydrophobicContact CD1-CG2 4.4Å; F79-V83 HydrophobicContact CD2-CG2 3.83Å; F79-V83 HydrophobicContact CE1-CB 4.16Å; F79-V83 HydrophobicContact CE1-CG1 4.29Å; F79-V83 HydrophobicContact CE1-CG2 4.17Å; F79-V83 HydrophobicContact CE2-CB 4.46Å; F79-V83 HydrophobicContact CE2-CG2 3.6Å; F79-V83 HydrophobicContact CG-CG2 4.24Å; F79-V83 HydrophobicContact CZ-CB 4.17Å; F79-V83 HydrophobicContact CZ-CG1 4.14Å; F79-V83 HydrophobicContact CZ-CG2 3.78Å; F79-V83 WeakPolarHBondContact O-CB 3.36Å; F79-V83 PolarHBondContact O-N 3.44Å; V83-F383 HydrophobicContact CB-CE1 4.03Å; V83-F383 HydrophobicContact CB-CZ 4.44Å; V83-F383 HydrophobicContact CG1-CE1 4.26Å; V83-F383 HydrophobicContact CG1-CZ 4.22Å; V83-F383 WeakPolarHBondContact O-CE1 3.31Å
84	S	98.3	Very high	97.1	Very high	37 Å²	37	55.6 Å²	55.6	26%	0.259	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	143.8	176	-64.5	0	0	0	0	111.5	V71 T73	V71-S84 PolarHBondContact N-O 2.8Å; V71-S84 PolarHBondContact O-N 2.9Å; T73-S84 PolarHBondContact OG1-OG 2.83Å
85	V	97.8	Very high	97.1	Very high	49 Å²	49	54.8 Å²	54.8	30%	0.297	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	130.6	165.5	-173.8	0	0	0	0	108.7	K68 L70 E380 F383	K68-V85 HydrophobicContact CB-CG1 4.31Å; K68-V85 HydrophobicContact CD-CG1 4.27Å; K68-V85 HydrophobicContact CG-CG1 4.37Å; L70-V85 HydrophobicContact CD2-CB 4.16Å; L70-V85 HydrophobicContact CD2-CG2 3.49Å; L70-V85 VanDerWaalsContact CD2-CG2 3.49Å; V85-E380 HydrophobicContact CG2-CG 4.3Å; V85-F383 HydrophobicContact CG2-CE2 3.92Å; V85-F383 HydrophobicContact CG2-CZ 4.42Å
86	R	97.6	Very high	97	Very high	124 Å²	124	54.5 Å²	54.5	47%	0.468	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	135.9	176.7	-62.7	-64.2	-177.9	179.2	-3.4	110.2	K68 K69 V71 V88	K68-R86 CarbonylContact C-O 3.46Å; K68-R86 WeakPolarHBondContact CA-O 3.45Å; K69-R86 PolarHBondContact N-O 3.33Å; K69-R86 PolarHBondContact O-N 3.45Å; V71-R86 HydrophobicContact CB-CG 4.08Å; V71-R86 HydrophobicContact CG2-CB 4.06Å; V71-R86 HydrophobicContact CG2-CG 3.83Å; R86-V88 HydrophobicContact CB-CG1 4.18Å
87	T	97.1	Very high	97.1	Very high	99 Å²	99	55.6 Å²	55.6	61%	0.607	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	122.8	165.3	-55.4	0	0	0	0	108.7	M67	M67-T87 CarbonylContact O-C 3.59Å; M67-T87 VanDerWaalsContact O-CA 3.31Å; M67-T87 WeakPolarHBondContact O-CA 3.42Å
88	V	96.1	Very high	97.1	Very high	44 Å²	44	52.8 Å²	52.8	27%	0.267	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	168.2	-177	-61.3	0	0	0	0	110	S66 M67 K69 R86	S66-V88 CarbonylContact C-O 3.32Å; S66-V88 WeakPolarHBondContact CA-O 3.4Å; S66-V88 VanDerWaalsContact CB-O 3.32Å; S66-V88 WeakPolarHBondContact CB-O 3.37Å; M67-V88 HydrophobicContact CE-CG2 3.81Å; M67-V88 HydrophobicContact CG-CG2 3.94Å; M67-V88 PolarHBondContact N-O 2.92Å; M67-V88 PolarHBondContact O-N 2.75Å; K69-V88 HydrophobicContact CD-CG2 4.04Å; K69-V88 HydrophobicContact CG-CG2 4.01Å; R86-V88 HydrophobicContact CB-CG1 4.18Å
89	A	95.6	Very high	97.1	Very high	73 Å²	73	49.6 Å²	49.6	60%	0.603	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	144.6	169.9	0	0	0	0	0	110.8	S65	S65-A89 WeakPolarHBondContact O-CA 3.43Å
90	V	95.1	Very high	97	Very high	19 Å²	19	49.3 Å²	49.3	12%	0.115	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-65.2	127.6	170.2	174.7	0	0	0	0	108.7	I63 P64 S65 M67 L99 Y165	I63-V90 HydrophobicContact CG2-CG1 3.89Å; P64-V90 HydrophobicContact CG-CG2 4.22Å; P64-V90 WeakPolarHBondContact O-CG2 3.45Å; S65-V90 PolarHBondContact O-N 2.71Å; M67-V90 HydrophobicContact CB-CG2 3.78Å; M67-V90 HydrophobicContact CG-CG2 3.91Å; M67-V90 HydrophobicContact SD-CG2 4.18Å; V90-L99 HydrophobicContact CG1-CD1 4.29Å; V90-L99 HydrophobicContact CG1-CD2 3.83Å; V90-Y165 HydrophobicContact CG1-CG 4.26Å; V90-Y165 HydrophobicContact CG2-CD2 4.02Å; V90-Y165 HydrophobicContact CG2-CE2 4.34Å
91	P	94.8	Very high	97	Very high	47 Å²	47	46.7 Å²	46.7	31%	0.305	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-70.9	145.1	-179.6	29.3	-36.3	0	0	0	111.7	M67 L99 V167	M67-P91 VanDerWaalsContact CE-CD 3.47Å; M67-P91 HydrophobicContact CE-CG 4.19Å; P91-L99 HydrophobicContact CG-CD1 4.01Å; P91-L99 WeakPolarHBondContact O-CD1 3.38Å; P91-V167 HydrophobicContact CB-CG2 3.76Å; P91-V167 HydrophobicContact CG-CG2 3.69Å
92	T	94.6	Very high	97	Very high	88 Å²	88	41.7 Å²	41.7	54%	0.54	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-87.2	130.3	171.2	-51.7	0	0	0	0	109.6	M56	M56-T92 HydrophobicContact CE-CG2 3.83Å; M56-T92 HydrophobicContact SD-CG2 3.98Å
93	P	95.9	Very high	97	Very high	9 Å²	9	44.5 Å²	44.5	6%	0.058	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-69.8	141.4	175.6	29.4	-32.7	0	0	0	110.8	M56 E97 L99 V167	M56-P93 HydrophobicContact CE-CG 4.03Å; P93-E97 HydrophobicContact CB-CB 4.03Å; P93-L99 HydrophobicContact CB-CB 4.25Å; P93-L99 HydrophobicContact CG-CB 3.91Å; P93-V167 HydrophobicContact CB-CG1 4.47Å; P93-V167 HydrophobicContact CB-CG2 4.49Å
94	G	96.8	Very high	97	Very high	30 Å²	30	44.8 Å²	44.8	31%	0.309	26%	0.261	S	S	.	.			trans	-74.3	-179.9	167.9	0	0	0	0	0	113.1	A96 E97 G141	G94-A96 VanDerWaalsContact C-N 3.33Å; G94-A96 PolarHBondContact O-N 3.36Å; G94-E97 WeakPolarHBondContact CA-OE2 3.37Å; G94-E97 PolarHBondContact N-OE2 2.97Å; G94-E97 PolarHBondContact O-N 3.24Å; G94-E97 VanDerWaalsContact O-N 3.08Å; G94-G141 WeakPolarHBondContact O-CA 3.43Å
95	D	97.3	Very high	97	Very high	89 Å²	89	43 Å²	43	48%	0.476	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-38.1	-171.3	-178	52	0	0	0	115.2	G141 L142 S143 A144	D95-G141 CarbonylContact O-C 3.12Å; D95-G141 VanDerWaalsContact O-CA 3.22Å; D95-G141 WeakPolarHBondContact O-CA 3.39Å; D95-L142 PolarHBondContact O-N 3.4Å; D95-L142 WeakPolarHBondContact OD1-CB 3.44Å; D95-L142 PolarHBondContact OD1-N 3.12Å; D95-S143 WeakPolarHBondContact O-CB 3.47Å; D95-S143 PolarHBondContact O-N 3.03Å; D95-S143 PolarHBondContact OD1-N 2.91Å; D95-S143 VanDerWaalsContact OD2-CB 3.23Å; D95-S143 WeakPolarHBondContact OD2-CB 3.31Å; D95-S143 PolarHBondContact OD2-OG 2.9Å; D95-A144 PolarHBondContact O-N 2.9Å; D95-A144 VanDerWaalsContact O-N 3.11Å
96	A	97.8	Very high	97	Very high	57 Å²	57	40.7 Å²	40.7	47%	0.471	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	22.8	-179.7	0	0	0	0	0	113.2	G94 A170	G94-A96 VanDerWaalsContact C-N 3.33Å; G94-A96 PolarHBondContact O-N 3.36Å; A96-A170 WeakPolarHBondContact O-CB 3.32Å; A96-A170 PolarHBondContact O-N 3.24Å
97	E	98.3	Very high	97.1	Very high	35 Å²	35	34.9 Å²	34.9	16%	0.164	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	155.4	-173.7	-53.3	-173.9	128.2	0	0	112.1	R8 P93 G94 L140 G141 V167 V168	R8-E97 IonicContact CZ-OE1 3.19Å; R8-E97 IonicContact NH1-OE1 2.63Å; R8-E97 PolarHBondContact NH1-OE1 2.8Å; R8-E97 IonicContact NH2-OE1 2.92Å; R8-E97 PolarHBondContact NH2-OE1 2.81Å; R8-E97 IonicContact NH2-OE2 3.59Å; P93-E97 HydrophobicContact CB-CB 4.03Å; G94-E97 WeakPolarHBondContact CA-OE2 3.37Å; G94-E97 PolarHBondContact N-OE2 2.97Å; G94-E97 PolarHBondContact O-N 3.24Å; G94-E97 VanDerWaalsContact O-N 3.08Å; E97-L140 WeakPolarHBondContact O-CA 3.48Å; E97-G141 PolarHBondContact O-N 2.94Å; E97-V167 HydrophobicContact CB-CG1 3.72Å; E97-V167 VanDerWaalsContact CD-CG1 3.42Å; E97-V167 HydrophobicContact CG-CG1 4.14Å; E97-V167 WeakPolarHBondContact OE2-CG1 3.19Å; E97-V168 CarbonylContact C-O 3.17Å; E97-V168 WeakPolarHBondContact CA-O 3.29Å
98	L	97.8	Very high	97.2	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	145.1	171.3	-47.6	179.7	0	0	0	108.4	V100 V137 L140 A144 Y148 V154 V167 V168 A170 S173	L98-V100 HydrophobicContact CB-CG2 4.2Å; L98-V137 HydrophobicContact CB-CG1 4.39Å; L98-V137 HydrophobicContact CB-CG2 4.49Å; L98-V137 HydrophobicContact CD1-CG2 3.94Å; L98-V137 HydrophobicContact CD2-CG1 4.32Å; L98-L140 HydrophobicContact CD2-CB 3.62Å; L98-L140 HydrophobicContact CD2-CD1 4.19Å; L98-A144 HydrophobicContact CD2-CB 3.77Å; L98-Y148 HydrophobicContact CD1-CD1 4.04Å; L98-Y148 HydrophobicContact CD1-CD2 4.02Å; L98-Y148 HydrophobicContact CD1-CE1 4.26Å; L98-Y148 HydrophobicContact CD1-CE2 4.25Å; L98-Y148 HydrophobicContact CD1-CG 3.91Å; L98-Y148 HydrophobicContact CD2-CD2 4.1Å; L98-Y148 HydrophobicContact CD2-CG 4.05Å; L98-V154 HydrophobicContact CD1-CG1 4.29Å; L98-V154 HydrophobicContact CD1-CG2 4.37Å; L98-V167 CarbonylContact O-C 3.6Å; L98-V167 VanDerWaalsContact O-CA 3.25Å; L98-V167 WeakPolarHBondContact O-CA 3.41Å; L98-V168 HydrophobicContact CB-CG2 3.91Å; L98-V168 HydrophobicContact CD1-CG2 4.49Å; L98-V168 HydrophobicContact CG-CG2 4.5Å; L98-V168 PolarHBondContact N-O 3.48Å; L98-V168 PolarHBondContact O-N 3.18Å; L98-A170 HydrophobicContact CD2-CB 4.11Å; L98-A170 HydrophobicContact CG-CB 4.09Å; L98-S173 WeakPolarHBondContact CD1-OG 3.31Å
99	L	97.3	Very high	97.3	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	111.7	162.9	-179.7	65.9	0	0	0	107.6	I63 V90 P91 P93 V138 G139 Y165 V167	I63-L99 HydrophobicContact CD1-CD2 4.38Å; I63-L99 HydrophobicContact CG2-CD2 4.48Å; V90-L99 HydrophobicContact CG1-CD1 4.29Å; V90-L99 HydrophobicContact CG1-CD2 3.83Å; P91-L99 HydrophobicContact CG-CD1 4.01Å; P91-L99 WeakPolarHBondContact O-CD1 3.38Å; P93-L99 HydrophobicContact CB-CB 4.25Å; P93-L99 HydrophobicContact CG-CB 3.91Å; L99-V138 HydrophobicContact CB-CG2 4.32Å; L99-V138 HydrophobicContact CD2-CG2 3.89Å; L99-V138 HydrophobicContact CG-CG2 3.81Å; L99-V138 WeakPolarHBondContact O-CG2 3.27Å; L99-V138 PolarHBondContact O-N 2.89Å; L99-G139 PolarHBondContact N-O 2.82Å; L99-G139 PolarHBondContact O-N 2.84Å; L99-Y165 HydrophobicContact CG-CD1 4.45Å; L99-V167 HydrophobicContact CD1-CG2 3.84Å
100	V	97.1	Very high	97.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	125.6	-176.8	179.6	0	0	0	0	109.1	L98 N102 E136 V154 Y156 Y165 T166 V168	L98-V100 HydrophobicContact CB-CG2 4.2Å; V100-N102 PolarHBondContact O-N 2.98Å; V100-E136 CarbonylContact C-O 3.59Å; V100-E136 WeakPolarHBondContact CA-O 3.48Å; V100-V154 HydrophobicContact CB-CG2 4.47Å; V100-V154 HydrophobicContact CG1-CG2 4.13Å; V100-V154 HydrophobicContact CG2-CG2 3.44Å; V100-V154 VanDerWaalsContact CG2-CG2 3.44Å; V100-Y156 HydrophobicContact CB-CE1 4.42Å; V100-Y156 HydrophobicContact CG1-CE1 4.2Å; V100-Y165 CarbonylContact O-C 3.55Å; V100-Y165 WeakPolarHBondContact O-CA 3.28Å; V100-T166 PolarHBondContact N-O 2.95Å; V100-T166 PolarHBondContact O-N 3.23Å; V100-V168 HydrophobicContact CG2-CG2 3.58Å
101	R	96.8	Very high	97.6	Very high	70 Å²	70	27 Å²	27	26%	0.264	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	106.8	167.1	-176.7	-178.7	-176.8	-169.3	1.7	108.3	R103 G135 E136 V138 E164 Y165	R101-R103 PolarHBondContact O-N 3.47Å; R101-G135 WeakPolarHBondContact O-CA 3.31Å; R101-E136 PolarHBondContact N-O 2.81Å; R101-E136 PolarHBondContact O-N 2.84Å; R101-E136 VanDerWaalsContact O-N 3.14Å; R101-V138 HydrophobicContact CB-CG1 3.67Å; R101-V138 HydrophobicContact CB-CG2 4.32Å; R101-E164 CarbonylContact C-O 3.54Å; R101-E164 WeakPolarHBondContact CA-O 3.49Å; R101-Y165 HydrophobicContact CB-CD1 3.76Å; R101-Y165 HydrophobicContact CB-CE1 3.59Å; R101-Y165 HydrophobicContact CG-CD1 4.11Å; R101-Y165 HydrophobicContact CG-CE1 3.61Å
102	N	97.9	Very high	97.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	127.2	-175.1	-70.8	-40.5	0	0	0	111	V100 V105 Y156 A161 A163 E164 T166 V402	V100-N102 PolarHBondContact O-N 2.98Å; N102-V105 HydrophobicContact CB-CG1 4.2Å; N102-Y156 PolarHBondContact ND2-OH 3.21Å; N102-Y156 VanDerWaalsContact ND2-OH 3.1Å; N102-Y156 WeakPolarHBondContact OD1-CE1 3.33Å; N102-Y156 PolarHBondContact OD1-OH 2.88Å; N102-A161 PolarHBondContact ND2-O 3.18Å; N102-A163 WeakPolarHBondContact CB-O 3.33Å; N102-A163 PolarHBondContact ND2-O 2.74Å; N102-E164 PolarHBondContact N-O 2.92Å; N102-T166 PolarHBondContact ND2-OG1 3.22Å; N102-V402 HydrophobicContact CB-CB 4.49Å; N102-V402 HydrophobicContact CB-CG2 4.47Å
103	R	97.6	Very high	97.9	Very high	58 Å²	58	21.2 Å²	21.2	22%	0.219	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-48.8	172	179.7	55	-177.4	-134.8	-5.6	111	R101 I134 A179 E401 V402 A403 P405	R101-R103 PolarHBondContact O-N 3.47Å; R103-I134 PolarHBondContact N-O 3.35Å; R103-A179 HydrophobicContact CB-CB 4.08Å; R103-A179 HydrophobicContact CG-CB 4.12Å; R103-E401 IonicContact CZ-OE1 3.13Å; R103-E401 IonicContact NE-OE1 2.76Å; R103-E401 PolarHBondContact NE-OE1 2.6Å; R103-E401 VanDerWaalsContact NE-OE1 3.17Å; R103-E401 IonicContact NH2-OE1 2.67Å; R103-E401 PolarHBondContact NH2-OE1 2.91Å; R103-E401 CarbonylContact O-C 3.52Å; R103-E401 WeakPolarHBondContact O-CA 3.43Å; R103-V402 PolarHBondContact O-N 2.96Å; R103-A403 WeakPolarHBondContact CD-O 3.45Å; R103-A403 PolarHBondContact NE-O 3Å; R103-A403 PolarHBondContact NH1-O 2.91Å; R103-P405 VanDerWaalsContact NH1-CD 3.27Å; R103-P405 VanDerWaalsContact NH2-CG 3.28Å
104	F	98.6	Very high	98	Very high	11 Å²	11	22 Å²	22	5%	0.048	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	148	176.2	-60.5	-79	0	0	0	110.8	G133 I134 A179 P181 V399 V400 E401	F104-G133 WeakPolarHBondContact O-CA 3.42Å; F104-I134 HydrophobicContact CB-CG2 3.64Å; F104-I134 HydrophobicContact CD2-CG2 4.15Å; F104-I134 HydrophobicContact CG-CG2 4.41Å; F104-I134 PolarHBondContact N-O 3.06Å; F104-I134 VanDerWaalsContact N-O 3.11Å; F104-I134 PolarHBondContact O-N 2.96Å; F104-A179 WeakPolarHBondContact CD2-O 3.33Å; F104-A179 WeakPolarHBondContact CE2-O 3.33Å; F104-P181 HydrophobicContact CD1-CB 4.23Å; F104-P181 HydrophobicContact CD2-CB 4.18Å; F104-P181 HydrophobicContact CE1-CB 4.47Å; F104-P181 HydrophobicContact CE1-CG 4.5Å; F104-P181 HydrophobicContact CE2-CB 4.45Å; F104-P181 HydrophobicContact CE2-CG 4.38Å; F104-P181 HydrophobicContact CG-CB 4.09Å; F104-P181 HydrophobicContact CZ-CG 4.34Å; F104-V399 HydrophobicContact CB-CG1 3.68Å; F104-V399 HydrophobicContact CD1-CG1 3.76Å; F104-V399 HydrophobicContact CG-CG1 4.05Å; F104-V400 CarbonylContact C-O 3.56Å; F104-V400 VanDerWaalsContact CA-O 3.28Å; F104-V400 WeakPolarHBondContact CA-O 3.43Å; F104-E401 HydrophobicContact CD1-CB 3.84Å; F104-E401 HydrophobicContact CD1-CG 4.11Å; F104-E401 HydrophobicContact CE1-CB 3.62Å; F104-E401 HydrophobicContact CE1-CG 3.62Å; F104-E401 HydrophobicContact CZ-CG 4.23Å
105	V	98.8	Very high	98.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.1	174.4	-62	0	0	0	0	110.3	N102 E132 A161 F162 V400 V402	N102-V105 HydrophobicContact CB-CG1 4.2Å; V105-E132 WeakPolarHBondContact CA-O 3.48Å; V105-A161 HydrophobicContact CG1-CB 4.48Å; V105-A161 WeakPolarHBondContact CG1-O 3.46Å; V105-F162 HydrophobicContact CB-CD1 3.97Å; V105-F162 HydrophobicContact CB-CE1 4.14Å; V105-F162 HydrophobicContact CG2-CD1 3.76Å; V105-F162 HydrophobicContact CG2-CE1 3.96Å; V105-V400 HydrophobicContact CG2-CB 3.81Å; V105-V400 HydrophobicContact CG2-CG1 4.32Å; V105-V400 PolarHBondContact N-O 3.43Å; V105-V400 PolarHBondContact O-N 3.33Å; V105-V402 HydrophobicContact CB-CG2 4.18Å; V105-V402 HydrophobicContact CG1-CG2 3.53Å; V105-V402 HydrophobicContact CG2-CG2 3.64Å
106	G	98.7	Very high	98.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	130.8	-178.5	0	0	0	0	0	112.4	N108 E132 F162	G106-N108 PolarHBondContact O-ND2 2.92Å; G106-E132 PolarHBondContact N-O 3.34Å; G106-E132 VanDerWaalsContact N-O 3.12Å; G106-F162 WeakPolarHBondContact O-CE1 3.35Å
107	I	98.8	Very high	98.1	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.077	C	C	.	.			trans	-86.6	136.2	168.6	-50	-53	0	0	0	108.6	F162 V382 A385 V386 M389 K397 V398 V400	I107-F162 HydrophobicContact CD1-CE1 3.77Å; I107-F162 HydrophobicContact CD1-CZ 3.6Å; I107-V382 HydrophobicContact CD1-CB 4.41Å; I107-V382 HydrophobicContact CD1-CG1 3.83Å; I107-V382 HydrophobicContact CD1-CG2 4.33Å; I107-A385 HydrophobicContact CD1-CB 4.37Å; I107-A385 HydrophobicContact CG1-CB 3.79Å; I107-V386 HydrophobicContact CG2-CG2 3.75Å; I107-M389 HydrophobicContact CB-CE 3.86Å; I107-M389 HydrophobicContact CG2-CE 3.6Å; I107-M389 WeakPolarHBondContact O-CE 3.43Å; I107-K397 PolarHBondContact O-NZ 3.3Å; I107-V398 HydrophobicContact CB-CB 4.03Å; I107-V398 HydrophobicContact CB-CG1 3.91Å; I107-V398 HydrophobicContact CG1-CB 4.41Å; I107-V398 HydrophobicContact CG1-CG1 3.8Å; I107-V398 PolarHBondContact N-O 3.11Å; I107-V400 HydrophobicContact CD1-CG2 3.76Å; I107-V400 HydrophobicContact CG1-CG2 3.92Å
108	N	98.8	Very high	98	Very high	17 Å²	17	16.5 Å²	16.5	9%	0.091	8%	0.081	C	C	.	.			trans	-129.4	141.6	-177.9	-71.1	-76	0	0	0	109.9	G106 S110 D111 F131 E132 K397	G106-N108 PolarHBondContact O-ND2 2.92Å; N108-S110 PolarHBondContact O-N 3.24Å; N108-S110 VanDerWaalsContact O-N 3.09Å; N108-D111 PolarHBondContact N-OD2 2.85Å; N108-D111 VanDerWaalsContact O-CB 3.25Å; N108-D111 WeakPolarHBondContact O-CB 3.49Å; N108-D111 PolarHBondContact O-N 3.12Å; N108-F131 HydrophobicContact CB-CD2 4.03Å; N108-E132 PolarHBondContact ND2-OE1 3Å; N108-E132 PolarHBondContact OD1-OE1 2.7Å; N108-K397 VanDerWaalsContact CG-NZ 3.33Å; N108-K397 PolarHBondContact ND2-NZ 3.22Å; N108-K397 PolarHBondContact OD1-NZ 3.43Å
109	A	98.6	Very high	97.8	Very high	26 Å²	26	20.5 Å²	20.5	22%	0.215	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-36.9	175.7	0	0	0	0	0	111.6	D111 I305 Y308 M389 Y390	A109-D111 PolarHBondContact O-N 2.96Å; A109-I305 HydrophobicContact CB-CD1 3.54Å; A109-I305 HydrophobicContact CB-CG1 3.94Å; A109-Y308 HydrophobicContact CB-CD2 4.32Å; A109-Y308 HydrophobicContact CB-CE2 4.22Å; A109-M389 HydrophobicContact CB-SD 4.1Å; A109-M389 PolarHBondContact N-SD 2.76Å; A109-M389 VanDerWaalsContact N-SD 3.43Å; A109-Y390 PolarHBondContact O-OH 3.18Å
110	S	98	Very high	97.6	Very high	23 Å²	23	22.8 Å²	22.8	16%	0.161	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-0.4	-178.9	-139.9	0	0	0	0	114.6	N108 I112 N113 Y114 Y119	N108-S110 PolarHBondContact O-N 3.24Å; N108-S110 VanDerWaalsContact O-N 3.09Å; S110-I112 PolarHBondContact O-N 2.88Å; S110-N113 WeakPolarHBondContact O-CB 3.35Å; S110-N113 PolarHBondContact O-N 2.94Å; S110-N113 WeakPolarHBondContact OG-CB 3.27Å; S110-N113 PolarHBondContact OG-ND2 3.34Å; S110-N113 VanDerWaalsContact OG-ND2 3.11Å; S110-Y114 PolarHBondContact O-N 3.09Å; S110-Y119 WeakPolarHBondContact CB-OH 3.33Å; S110-Y119 WeakPolarHBondContact OG-CE2 3.47Å; S110-Y119 PolarHBondContact OG-OH 3.36Å
111	D	98.6	Very high	97.4	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.016	14%	0.138	C	C	.	.	H	α-helix	trans	-57	-36.3	173.5	-70.1	-32.3	0	0	0	110.8	F79 N108 A109 Y114 S115 F131 F162	F79-D111 HydrophobicContact CE2-CB 4.16Å; N108-D111 PolarHBondContact N-OD2 2.85Å; N108-D111 VanDerWaalsContact O-CB 3.25Å; N108-D111 WeakPolarHBondContact O-CB 3.49Å; N108-D111 PolarHBondContact O-N 3.12Å; A109-D111 PolarHBondContact O-N 2.96Å; D111-Y114 WeakPolarHBondContact O-CB 3.5Å; D111-Y114 PolarHBondContact O-N 2.93Å; D111-S115 PolarHBondContact O-N 3.21Å; D111-F131 WeakPolarHBondContact OD1-CD2 3.46Å; D111-F131 WeakPolarHBondContact OD1-CE2 3.34Å; D111-F162 WeakPolarHBondContact OD2-CZ 3.37Å
112	I	98.5	Very high	97.3	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.015	15%	0.154	C	C	.	.	H	α-helix	trans	-77.9	-25.2	177	79.6	172.1	0	0	0	113.2	Q77 F79 S110 Y114 S115 A116 Q309 V386 Y390	Q77-I112 WeakPolarHBondContact O-CB 3.47Å; F79-I112 HydrophobicContact CB-CG2 3.97Å; F79-I112 HydrophobicContact CD2-CG2 4.23Å; F79-I112 HydrophobicContact CG-CG2 4.47Å; S110-I112 PolarHBondContact O-N 2.88Å; I112-Y114 VanDerWaalsContact C-N 3.31Å; I112-S115 WeakPolarHBondContact CA-OG 2.99Å; I112-S115 PolarHBondContact O-OG 2.9Å; I112-A116 WeakPolarHBondContact O-CB 3.4Å; I112-A116 PolarHBondContact O-N 3.34Å; I112-Q309 HydrophobicContact CD1-CB 4.47Å; I112-Q309 HydrophobicContact CD1-CG 3.63Å; I112-V386 HydrophobicContact CG2-CG1 3.92Å; I112-Y390 HydrophobicContact CD1-CE1 3.8Å; I112-Y390 HydrophobicContact CD1-CE2 3.78Å; I112-Y390 WeakPolarHBondContact CD1-OH 3.22Å; I112-Y390 HydrophobicContact CG1-CE2 4.16Å; I112-Y390 WeakPolarHBondContact CG1-OH 3.45Å; I112-Y390 HydrophobicContact CG2-CE2 3.84Å
113	N	98.2	Very high	97.2	Very high	12 Å²	12	30.2 Å²	30.2	6%	0.064	17%	0.168	C	C	.	.	H	α-helix	trans	-70.2	-36.1	170.2	-71.3	-38	0	0	0	110.4	S110 A116 G117 R118 Y119 Y308	S110-N113 WeakPolarHBondContact O-CB 3.35Å; S110-N113 PolarHBondContact O-N 2.94Å; S110-N113 WeakPolarHBondContact OG-CB 3.27Å; S110-N113 PolarHBondContact OG-ND2 3.34Å; S110-N113 VanDerWaalsContact OG-ND2 3.11Å; N113-A116 PolarHBondContact O-N 3.33Å; N113-G117 PolarHBondContact O-N 3.39Å; N113-R118 HydrophobicContact CB-CB 4.34Å; N113-R118 WeakPolarHBondContact O-CB 3.22Å; N113-R118 PolarHBondContact O-N 2.7Å; N113-R118 WeakPolarHBondContact OD1-CD 2.93Å; N113-R118 PolarHBondContact OD1-NH1 3.45Å; N113-Y119 HydrophobicContact CB-CD2 4.41Å; N113-Y119 HydrophobicContact CB-CE2 3.96Å; N113-Y308 WeakPolarHBondContact ND2-CD1 3.36Å; N113-Y308 WeakPolarHBondContact ND2-CD2 3.25Å; N113-Y308 WeakPolarHBondContact ND2-CE1 3.17Å; N113-Y308 WeakPolarHBondContact OD1-CD1 3.34Å
114	Y	98	Very high	97.2	Very high	24 Å²	24	34 Å²	34	9%	0.094	19%	0.186	C	C	.	.	H	α-helix	trans	-67	-48.1	175.4	-165	-99.3	0	0	0	111.4	S110 D111 I112 A116 G117 Y119 F127 D128 F131	S110-Y114 PolarHBondContact O-N 3.09Å; D111-Y114 WeakPolarHBondContact O-CB 3.5Å; D111-Y114 PolarHBondContact O-N 2.93Å; I112-Y114 VanDerWaalsContact C-N 3.31Å; Y114-A116 PolarHBondContact O-N 3.26Å; Y114-G117 PolarHBondContact O-N 3Å; Y114-Y119 AromaticContact CD2-CD2 3.79Å; Y114-Y119 HydrophobicContact CD2-CD2 3.79Å; Y114-Y119 HydrophobicContact CD2-CE2 4.28Å; Y114-Y119 AromaticContact CD2-CG 3.93Å; Y114-Y119 HydrophobicContact CD2-CG 3.93Å; Y114-Y119 HydrophobicContact CG-CD2 4.42Å; Y114-F127 HydrophobicContact CD1-CD2 4.41Å; Y114-F127 AromaticContact CD1-CE2 3.96Å; Y114-F127 HydrophobicContact CD1-CE2 3.96Å; Y114-F127 AromaticContact CE1-CD2 3.66Å; Y114-F127 HydrophobicContact CE1-CD2 3.66Å; Y114-F127 AromaticContact CE1-CE2 3.64Å; Y114-F127 HydrophobicContact CE1-CE2 3.64Å; Y114-D128 VanDerWaalsContact CE1-O 3.26Å; Y114-D128 WeakPolarHBondContact CE1-O 3.34Å; Y114-F131 AromaticContact CD2-CE1 3.62Å; Y114-F131 HydrophobicContact CD2-CE1 3.62Å; Y114-F131 AromaticContact CD2-CZ 3.6Å; Y114-F131 HydrophobicContact CD2-CZ 3.6Å; Y114-F131 HydrophobicContact CE2-CE1 4.04Å; Y114-F131 HydrophobicContact CE2-CZ 4.46Å; Y114-F131 HydrophobicContact CG-CE1 4.03Å; Y114-F131 AromaticContact CG-CZ 3.73Å; Y114-F131 HydrophobicContact CG-CZ 3.73Å
115	S	98.3	Very high	97.1	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.007	20%	0.196	C	C	.	.	H	α-helix	trans	-64	-27.7	175.1	72.7	0	0	0	0	113.1	L75 S76 D111 I112 G117	L75-S115 WeakPolarHBondContact CA-O 3.4Å; S76-S115 PolarHBondContact N-O 2.94Å; S76-S115 CarbonylContact O-C 3.55Å; S76-S115 VanDerWaalsContact O-C 3.24Å; S76-S115 PolarHBondContact O-OG 3.35Å; D111-S115 PolarHBondContact O-N 3.21Å; I112-S115 WeakPolarHBondContact CA-OG 2.99Å; I112-S115 PolarHBondContact O-OG 2.9Å; S115-G117 VanDerWaalsContact C-N 3.25Å; S115-G117 PolarHBondContact O-N 2.91Å
116	A	97.9	Very high	97.1	Very high	19 Å²	19	40 Å²	40	16%	0.157	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-2.4	172.8	0	0	0	0	0	114.1	S76 Q77 I112 N113 Y114 R118	S76-A116 WeakPolarHBondContact O-CA 3.41Å; S76-A116 PolarHBondContact O-N 3.48Å; Q77-A116 HydrophobicContact CB-CB 4.24Å; I112-A116 WeakPolarHBondContact O-CB 3.4Å; I112-A116 PolarHBondContact O-N 3.34Å; N113-A116 PolarHBondContact O-N 3.33Å; Y114-A116 PolarHBondContact O-N 3.26Å; A116-R118 VanDerWaalsContact C-N 3.32Å; A116-R118 HydrophobicContact CB-CG 3.98Å; A116-R118 PolarHBondContact O-N 3.33Å
117	G	96.9	Very high	97	Very high	8 Å²	8	41.2 Å²	41.2	8%	0.082	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	21.3	-179.6	0	0	0	0	0	114.2	N113 Y114 S115 Y119 D120 P121	N113-G117 PolarHBondContact O-N 3.39Å; Y114-G117 PolarHBondContact O-N 3Å; S115-G117 VanDerWaalsContact C-N 3.25Å; S115-G117 PolarHBondContact O-N 2.91Å; G117-Y119 VanDerWaalsContact C-N 3.34Å; G117-D120 CarbonylContact O-C 3.51Å; G117-P121 WeakPolarHBondContact O-CA 3.39Å
118	R	96.6	Very high	97	Very high	69 Å²	69	44 Å²	44	26%	0.26	25%	0.246	S	C	.	.			trans	-78.8	-16.5	-175	-63.8	173.7	-179.5	151.7	-0.3	114	N113 A116 Y308 T310 A311 G313	N113-R118 HydrophobicContact CB-CB 4.34Å; N113-R118 WeakPolarHBondContact O-CB 3.22Å; N113-R118 PolarHBondContact O-N 2.7Å; N113-R118 WeakPolarHBondContact OD1-CD 2.93Å; N113-R118 PolarHBondContact OD1-NH1 3.45Å; A116-R118 VanDerWaalsContact C-N 3.32Å; A116-R118 HydrophobicContact CB-CG 3.98Å; A116-R118 PolarHBondContact O-N 3.33Å; R118-Y308 PolarHBondContact NH1-O 3.19Å; R118-T310 PolarHBondContact NH2-O 3.06Å; R118-A311 PolarHBondContact NH2-O 3.47Å; R118-G313 VanDerWaalsContact NH1-CA 3.31Å
119	Y	93.5	Very high	96.9	Very high	83 Å²	83	43.3 Å²	43.3	33%	0.325	24%	0.243	S	C	.	.	S	Bend	trans	-75.7	-41.8	175.8	-82	-102.7	0	0	0	112.1	S110 N113 Y114 G117 F131 F337	S110-Y119 WeakPolarHBondContact CB-OH 3.33Å; S110-Y119 WeakPolarHBondContact OG-CE2 3.47Å; S110-Y119 PolarHBondContact OG-OH 3.36Å; N113-Y119 HydrophobicContact CB-CD2 4.41Å; N113-Y119 HydrophobicContact CB-CE2 3.96Å; Y114-Y119 AromaticContact CD2-CD2 3.79Å; Y114-Y119 HydrophobicContact CD2-CD2 3.79Å; Y114-Y119 HydrophobicContact CD2-CE2 4.28Å; Y114-Y119 AromaticContact CD2-CG 3.93Å; Y114-Y119 HydrophobicContact CD2-CG 3.93Å; Y114-Y119 HydrophobicContact CG-CD2 4.42Å; G117-Y119 VanDerWaalsContact C-N 3.34Å; Y119-F131 HydrophobicContact CE1-CZ 4.26Å; Y119-F131 AromaticContact CE2-CZ 3.91Å; Y119-F131 HydrophobicContact CE2-CZ 3.91Å; Y119-F131 AromaticContact CZ-CZ 3.71Å; Y119-F337 HydrophobicContact CD1-CZ 4.45Å; Y119-F337 HydrophobicContact CE1-CE2 4.14Å; Y119-F337 HydrophobicContact CE1-CZ 4.11Å
120	D	93.4	Very high	96.9	Very high	51 Å²	51	42.1 Å²	42.1	27%	0.273	23%	0.233	S	C	.	.			trans	-147.4	98.8	173.5	-174.6	-14.9	0	0	0	109.1	L9 G117 S122 V123	L9-D120 HydrophobicContact CD1-CB 4.01Å; L9-D120 WeakPolarHBondContact CD1-OD2 3.1Å; G117-D120 CarbonylContact O-C 3.51Å; D120-S122 VanDerWaalsContact CG-OG 3.28Å; D120-S122 PolarHBondContact O-N 2.8Å; D120-S122 VanDerWaalsContact O-N 3.09Å; D120-S122 VanDerWaalsContact OD1-CB 3.24Å; D120-S122 WeakPolarHBondContact OD1-CB 3.29Å; D120-S122 PolarHBondContact OD1-N 2.85Å; D120-S122 PolarHBondContact OD1-OG 2.86Å; D120-S122 PolarHBondContact OD2-OG 3.34Å; D120-V123 HydrophobicContact CB-CG2 3.94Å; D120-V123 PolarHBondContact O-N 3.49Å
121	P	92.6	Very high	96.9	Very high	92 Å²	92	41.9 Å²	41.9	60%	0.597	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-14	-179.2	-24.6	35	0	0	0	114.7	G117 K124	G117-P121 WeakPolarHBondContact O-CA 3.39Å; P121-K124 PolarHBondContact O-NZ 2.87Å
122	S	96	Very high	96.9	Very high	85 Å²	85	41.7 Å²	41.7	59%	0.594	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-28.7	178.1	78.3	0	0	0	0	112.3	D120 K124	D120-S122 VanDerWaalsContact CG-OG 3.28Å; D120-S122 PolarHBondContact O-N 2.8Å; D120-S122 VanDerWaalsContact O-N 3.09Å; D120-S122 VanDerWaalsContact OD1-CB 3.24Å; D120-S122 WeakPolarHBondContact OD1-CB 3.29Å; D120-S122 PolarHBondContact OD1-N 2.85Å; D120-S122 PolarHBondContact OD1-OG 2.86Å; D120-S122 PolarHBondContact OD2-OG 3.34Å; S122-K124 PolarHBondContact O-N 3.46Å
123	V	94.9	Very high	96.9	Very high	49 Å²	49	41.6 Å²	41.6	30%	0.297	23%	0.227	S	C	.	.			trans	-70.1	129.2	179	178.7	0	0	0	0	110	L9 D120 F127	L9-V123 HydrophobicContact CD1-CG2 4.19Å; D120-V123 HydrophobicContact CB-CG2 3.94Å; D120-V123 PolarHBondContact O-N 3.49Å; V123-F127 HydrophobicContact CG1-CB 4.41Å; V123-F127 HydrophobicContact CG1-CD1 3.65Å; V123-F127 HydrophobicContact CG1-CE1 4.09Å; V123-F127 HydrophobicContact CG1-CG 4.11Å
124	K	97.2	Very high	96.9	Very high	138 Å²	138	41 Å²	41	60%	0.6	22%	0.224	S	C	*	.			trans	-109.1	142.9	177.8	-56.4	-54.3	176.3	-158.1	0	110.5	P121 S122	P121-K124 PolarHBondContact O-NZ 2.87Å; S122-K124 PolarHBondContact O-N 3.46Å
125	P	97.5	Very high	96.9	Very high	39 Å²	39	39.9 Å²	39.9	25%	0.253	22%	0.22	S	C	.	.	S	Bend	trans	-52.6	148.5	170.1	-28.4	37	0	0	0	112.5	V72 T73 L75 F127	V72-P125 HydrophobicContact CG1-CG 4.45Å; V72-P125 WeakPolarHBondContact O-CB 3.5Å; T73-P125 WeakPolarHBondContact O-CB 3.37Å; L75-P125 HydrophobicContact CD2-CG 3.8Å; L75-P125 HydrophobicContact CG-CG 3.88Å; P125-F127 HydrophobicContact CG-CD1 4.45Å; P125-F127 HydrophobicContact CG-CE1 3.94Å
126	P	97.6	Very high	96.8	Very high	96 Å²	96	43.9 Å²	43.9	62%	0.623	24%	0.238	S	C	*	.			cis	-85.1	141.9	3.4	32.6	-33.7	0	0	0	114.3	V71 V72	V71-P126 HydrophobicContact CG1-CB 3.62Å; V72-P126 VanDerWaalsContact O-CA 3.31Å; V72-P126 WeakPolarHBondContact O-CA 3.27Å
127	F	97.9	Very high	96.7	Very high	26 Å²	26	43 Å²	43	11%	0.114	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	158.9	168.4	55.6	-94.3	0	0	0	111.6	V72 L75 Y114 V123 P125	V72-F127 HydrophobicContact CB-CD1 4.48Å; V72-F127 HydrophobicContact CB-CD2 3.88Å; V72-F127 HydrophobicContact CB-CE1 4.22Å; V72-F127 HydrophobicContact CB-CE2 3.6Å; V72-F127 HydrophobicContact CB-CG 4.32Å; V72-F127 HydrophobicContact CB-CZ 3.79Å; V72-F127 HydrophobicContact CG1-CE1 4.03Å; V72-F127 HydrophobicContact CG1-CE2 3.88Å; V72-F127 HydrophobicContact CG1-CZ 3.56Å; V72-F127 HydrophobicContact CG2-CD2 3.86Å; V72-F127 HydrophobicContact CG2-CE2 3.49Å; V72-F127 VanDerWaalsContact CG2-CE2 3.49Å; V72-F127 HydrophobicContact CG2-CZ 4.09Å; V72-F127 PolarHBondContact N-O 2.85Å; V72-F127 PolarHBondContact O-N 2.7Å; L75-F127 HydrophobicContact CD2-CE1 3.74Å; L75-F127 HydrophobicContact CD2-CZ 3.78Å; Y114-F127 HydrophobicContact CD1-CD2 4.41Å; Y114-F127 AromaticContact CD1-CE2 3.96Å; Y114-F127 HydrophobicContact CD1-CE2 3.96Å; Y114-F127 AromaticContact CE1-CD2 3.66Å; Y114-F127 HydrophobicContact CE1-CD2 3.66Å; Y114-F127 AromaticContact CE1-CE2 3.64Å; Y114-F127 HydrophobicContact CE1-CE2 3.64Å; V123-F127 HydrophobicContact CG1-CB 4.41Å; V123-F127 HydrophobicContact CG1-CD1 3.65Å; V123-F127 HydrophobicContact CG1-CE1 4.09Å; V123-F127 HydrophobicContact CG1-CG 4.11Å; P125-F127 HydrophobicContact CG-CD1 4.45Å; P125-F127 HydrophobicContact CG-CE1 3.94Å
128	D	97.9	Very high	96.6	Very high	61 Å²	61	43.7 Å²	43.7	33%	0.326	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	146.7	-171	-65.8	-16.7	0	0	0	112.4	K69 Y114	K69-D128 WeakPolarHBondContact CE-OD1 3.47Å; K69-D128 IonicContact NZ-OD1 2.66Å; K69-D128 PolarHBondContact NZ-OD1 3.02Å; K69-D128 IonicContact NZ-OD2 2.96Å; K69-D128 PolarHBondContact NZ-OD2 3.35Å; Y114-D128 VanDerWaalsContact CE1-O 3.26Å; Y114-D128 WeakPolarHBondContact CE1-O 3.34Å
129	A	97.8	Very high	96.4	Very high	2 Å²	2	41 Å²	41	2%	0.017	23%	0.227	C	C	.	.			trans	-104.5	162.1	-176.8	0	0	0	0	0	113.9	L70 V72 G160 A161 F162	L70-A129 HydrophobicContact CB-CB 4.27Å; L70-A129 PolarHBondContact O-N 3.06Å; V72-A129 HydrophobicContact CG2-CB 4.19Å; A129-G160 CarbonylContact O-C 3.24Å; A129-G160 VanDerWaalsContact O-C 3.25Å; A129-G160 WeakPolarHBondContact O-CA 3.19Å; A129-A161 PolarHBondContact O-N 3.09Å; A129-F162 HydrophobicContact CB-CD2 3.82Å; A129-F162 WeakPolarHBondContact O-CB 3.26Å; A129-F162 PolarHBondContact O-N 2.98Å
130	G	97.9	Very high	96.5	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.01	22%	0.216	C	C	.	.			trans	89.7	149.1	175.6	0	0	0	0	0	113.8	S159 G160 A161	G130-S159 CarbonylContact O-C 3.15Å; G130-S159 WeakPolarHBondContact O-CA 3.47Å; G130-G160 PolarHBondContact O-N 3.16Å; G130-A161 PolarHBondContact O-N 3.45Å
131	F	98	Very high	96.6	Very high	17 Å²	17	35.8 Å²	35.8	8%	0.075	21%	0.207	C	C	.	.	S	Bend	trans	-112.7	-24.4	-169.6	-73.3	-53.6	0	0	0	116	N108 D111 Y114 Y119 F157 G158	N108-F131 HydrophobicContact CB-CD2 4.03Å; D111-F131 WeakPolarHBondContact OD1-CD2 3.46Å; D111-F131 WeakPolarHBondContact OD1-CE2 3.34Å; Y114-F131 AromaticContact CD2-CE1 3.62Å; Y114-F131 HydrophobicContact CD2-CE1 3.62Å; Y114-F131 AromaticContact CD2-CZ 3.6Å; Y114-F131 HydrophobicContact CD2-CZ 3.6Å; Y114-F131 HydrophobicContact CE2-CE1 4.04Å; Y114-F131 HydrophobicContact CE2-CZ 4.46Å; Y114-F131 HydrophobicContact CG-CE1 4.03Å; Y114-F131 AromaticContact CG-CZ 3.73Å; Y114-F131 HydrophobicContact CG-CZ 3.73Å; Y119-F131 HydrophobicContact CE1-CZ 4.26Å; Y119-F131 AromaticContact CE2-CZ 3.91Å; Y119-F131 HydrophobicContact CE2-CZ 3.91Å; Y119-F131 AromaticContact CZ-CZ 3.71Å; F131-F157 HydrophobicContact CB-CD2 4.12Å; F131-F157 HydrophobicContact CB-CE2 3.88Å; F131-F157 HydrophobicContact CD1-CE2 4.35Å; F131-F157 HydrophobicContact CG-CE2 4.31Å; F131-F157 CarbonylContact O-C 3.57Å; F131-F157 WeakPolarHBondContact O-CA 3.38Å; F131-F157 WeakPolarHBondContact O-CD2 3.43Å; F131-G158 CarbonylContact C-O 3.49Å; F131-G158 VanDerWaalsContact CA-O 3.29Å; F131-G158 WeakPolarHBondContact CA-O 3.41Å; F131-G158 CarbonylContact O-C 3.57Å; F131-G158 PolarHBondContact O-N 2.85Å
132	E	98.6	Very high	96.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	142.5	-173.6	69.4	-163.1	129.8	0	0	111	V105 G106 N108 Y156 F157 A161 L184 L187 V188 K397	V105-E132 WeakPolarHBondContact CA-O 3.48Å; G106-E132 PolarHBondContact N-O 3.34Å; G106-E132 VanDerWaalsContact N-O 3.12Å; N108-E132 PolarHBondContact ND2-OE1 3Å; N108-E132 PolarHBondContact OD1-OE1 2.7Å; E132-Y156 VanDerWaalsContact CA-O 3.29Å; E132-Y156 WeakPolarHBondContact CA-O 3.42Å; E132-F157 HydrophobicContact CB-CD2 4.46Å; E132-A161 VanDerWaalsContact C-CB 3.44Å; E132-A161 WeakPolarHBondContact O-CB 3.46Å; E132-L184 HydrophobicContact CG-CD1 4.22Å; E132-L184 HydrophobicContact CG-CD2 4.29Å; E132-L184 HydrophobicContact CG-CG 4.16Å; E132-L187 HydrophobicContact CB-CD1 4.17Å; E132-L187 WeakPolarHBondContact OE2-CB 3.33Å; E132-V188 HydrophobicContact CB-CG2 4.17Å; E132-V188 HydrophobicContact CG-CG2 4.41Å; E132-V188 WeakPolarHBondContact OE2-CB 3.23Å; E132-V188 WeakPolarHBondContact OE2-CG2 3.22Å; E132-V188 PolarHBondContact OE2-N 3.23Å; E132-K397 VanDerWaalsContact OE1-CE 3.23Å; E132-K397 WeakPolarHBondContact OE1-CE 3.23Å; E132-K397 IonicContact OE1-NZ 3.4Å; E132-K397 PolarHBondContact OE1-NZ 3.43Å
133	G	98.5	Very high	96.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	155.4	-177.7	0	0	0	0	0	111.3	F104 A155 Y156	F104-G133 WeakPolarHBondContact O-CA 3.42Å; G133-A155 CarbonylContact O-C 3.45Å; G133-A155 WeakPolarHBondContact O-CA 3.41Å; G133-Y156 PolarHBondContact N-O 2.81Å; G133-Y156 VanDerWaalsContact N-O 3.11Å; G133-Y156 WeakPolarHBondContact O-CD1 3.32Å; G133-Y156 PolarHBondContact O-N 2.69Å
134	I	98.5	Very high	96.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	136.3	170.9	-174.6	175.8	0	0	0	108.2	R103 F104 T153 V154 A155 V176 K180 F183 L184	R103-I134 PolarHBondContact N-O 3.35Å; F104-I134 HydrophobicContact CB-CG2 3.64Å; F104-I134 HydrophobicContact CD2-CG2 4.15Å; F104-I134 HydrophobicContact CG-CG2 4.41Å; F104-I134 PolarHBondContact N-O 3.06Å; F104-I134 VanDerWaalsContact N-O 3.11Å; F104-I134 PolarHBondContact O-N 2.96Å; I134-T153 HydrophobicContact CG1-CG2 4.17Å; I134-V154 WeakPolarHBondContact CA-O 3.41Å; I134-A155 HydrophobicContact CB-CB 4.23Å; I134-A155 HydrophobicContact CD1-CB 4.4Å; I134-A155 HydrophobicContact CG1-CB 4.1Å; I134-V176 HydrophobicContact CD1-CG2 3.73Å; I134-V176 HydrophobicContact CG1-CG2 4.05Å; I134-K180 WeakPolarHBondContact CD1-O 3.27Å; I134-F183 HydrophobicContact CD1-CB 3.96Å; I134-L184 HydrophobicContact CB-CB 4.39Å; I134-L184 HydrophobicContact CB-CD1 4.07Å; I134-L184 HydrophobicContact CG2-CB 3.96Å; I134-L184 HydrophobicContact CG2-CD1 3.69Å; I134-L184 HydrophobicContact CG2-CG 4.47Å
135	G	97.2	Very high	96.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176	-171	-173.4	0	0	0	0	0	113.1	R101 T153 V154	R101-G135 WeakPolarHBondContact O-CA 3.31Å; G135-T153 WeakPolarHBondContact O-CA 2.98Å; G135-T153 WeakPolarHBondContact O-CG2 3.25Å; G135-V154 PolarHBondContact N-O 3.32Å; G135-V154 PolarHBondContact O-N 3.2Å
136	E	96.4	Very high	96.6	Very high	85 Å²	85	31.9 Å²	31.9	40%	0.397	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	138.5	-178.1	-172.1	-174.1	159.5	0	0	110.6	V100 R101 V138 G151 D152	V100-E136 CarbonylContact C-O 3.59Å; V100-E136 WeakPolarHBondContact CA-O 3.48Å; R101-E136 PolarHBondContact N-O 2.81Å; R101-E136 PolarHBondContact O-N 2.84Å; R101-E136 VanDerWaalsContact O-N 3.14Å; E136-V138 PolarHBondContact O-N 3.16Å; E136-G151 WeakPolarHBondContact OE1-CA 3.4Å; E136-D152 CarbonylContact C-O 3.54Å; E136-D152 WeakPolarHBondContact CA-O 3.14Å
137	V	96.5	Very high	96.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	112.5	170	179.8	0	0	0	0	108.5	L98 L140 V150 G151 D152 V154	L98-V137 HydrophobicContact CB-CG1 4.39Å; L98-V137 HydrophobicContact CB-CG2 4.49Å; L98-V137 HydrophobicContact CD1-CG2 3.94Å; L98-V137 HydrophobicContact CD2-CG1 4.32Å; V137-L140 HydrophobicContact CG1-CB 4.37Å; V137-L140 HydrophobicContact CG1-CD2 4.1Å; V137-V150 CarbonylContact O-C 3.52Å; V137-V150 WeakPolarHBondContact O-CA 3.26Å; V137-G151 PolarHBondContact O-N 3.39Å; V137-D152 HydrophobicContact CB-CB 4.46Å; V137-D152 HydrophobicContact CG2-CB 4.13Å; V137-D152 PolarHBondContact N-O 3.28Å; V137-V154 HydrophobicContact CG2-CB 4.45Å; V137-V154 HydrophobicContact CG2-CG1 3.83Å; V137-V154 HydrophobicContact CG2-CG2 3.75Å
138	V	94.3	Very high	96.4	Very high	23 Å²	23	31.2 Å²	31.2	14%	0.139	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-13.2	178.8	-64.4	0	0	0	0	113	I63 L99 R101 E136 Y165	I63-V138 HydrophobicContact CD1-CB 4.17Å; I63-V138 HydrophobicContact CD1-CG2 4.15Å; I63-V138 WeakPolarHBondContact CD1-O 3.39Å; I63-V138 HydrophobicContact CG1-CB 4.29Å; I63-V138 HydrophobicContact CG1-CG2 4.37Å; L99-V138 HydrophobicContact CB-CG2 4.32Å; L99-V138 HydrophobicContact CD2-CG2 3.89Å; L99-V138 HydrophobicContact CG-CG2 3.81Å; L99-V138 WeakPolarHBondContact O-CG2 3.27Å; L99-V138 PolarHBondContact O-N 2.89Å; R101-V138 HydrophobicContact CB-CG1 3.67Å; R101-V138 HydrophobicContact CB-CG2 4.32Å; E136-V138 PolarHBondContact O-N 3.16Å; V138-Y165 HydrophobicContact CG2-CD1 3.77Å; V138-Y165 HydrophobicContact CG2-CE1 3.86Å
139	G	91.6	Very high	96.3	Very high	13 Å²	13	32.2 Å²	32.2	13%	0.134	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	157.9	174.1	0	0	0	0	0	110.4	L99	L99-G139 PolarHBondContact N-O 2.82Å; L99-G139 PolarHBondContact O-N 2.84Å
140	L	96.6	Very high	96.1	Very high	17 Å²	17	36.3 Å²	36.3	9%	0.089	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	158.4	-179.6	62.4	162.6	0	0	0	111.5	E97 L98 V137 A144 S145 Y148 V150	E97-L140 WeakPolarHBondContact O-CA 3.48Å; L98-L140 HydrophobicContact CD2-CB 3.62Å; L98-L140 HydrophobicContact CD2-CD1 4.19Å; V137-L140 HydrophobicContact CG1-CB 4.37Å; V137-L140 HydrophobicContact CG1-CD2 4.1Å; L140-A144 HydrophobicContact CB-CB 4.21Å; L140-A144 HydrophobicContact CD1-CB 4.29Å; L140-S145 VanDerWaalsContact CD1-CA 3.5Å; L140-Y148 VanDerWaalsContact CD1-O 3.27Å; L140-Y148 WeakPolarHBondContact CD1-O 3.47Å; L140-V150 HydrophobicContact CD2-CB 4.49Å; L140-V150 HydrophobicContact CD2-CG2 3.39Å
141	G	95.2	Very high	95.7	Very high	7 Å²	7	38.1 Å²	38.1	7%	0.072	24%	0.243	C	C	.	.			trans	-78.1	168.7	171.9	0	0	0	0	0	113.6	G94 D95 E97 A144 S145	G94-G141 WeakPolarHBondContact O-CA 3.43Å; D95-G141 CarbonylContact O-C 3.12Å; D95-G141 VanDerWaalsContact O-CA 3.22Å; D95-G141 WeakPolarHBondContact O-CA 3.39Å; E97-G141 PolarHBondContact O-N 2.94Å; G141-A144 PolarHBondContact O-N 3.37Å; G141-S145 PolarHBondContact O-N 3.45Å; G141-S145 VanDerWaalsContact O-N 3.15Å
142	L	93.8	Very high	95.6	Very high	107 Å²	107	40 Å²	40	56%	0.56	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-46.8	-174.4	-178.1	64.9	0	0	0	111.7	F55 D95 A144 S145	F55-L142 HydrophobicContact CD2-CD1 4.12Å; F55-L142 HydrophobicContact CE2-CD1 4.32Å; D95-L142 PolarHBondContact O-N 3.4Å; D95-L142 WeakPolarHBondContact OD1-CB 3.44Å; D95-L142 PolarHBondContact OD1-N 3.12Å; L142-A144 VanDerWaalsContact C-N 3.29Å; L142-A144 PolarHBondContact O-N 3.44Å; L142-S145 WeakPolarHBondContact O-CB 3.3Å; L142-S145 PolarHBondContact O-N 2.7Å; L142-S145 VanDerWaalsContact O-N 3.14Å; L142-S145 PolarHBondContact O-OG 3.24Å
143	S	96.6	Very high	95.6	Very high	63 Å²	63	41.5 Å²	41.5	44%	0.441	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-37.3	175.7	-71.3	0	0	0	0	112.7	D95 S145 S146	D95-S143 WeakPolarHBondContact O-CB 3.47Å; D95-S143 PolarHBondContact O-N 3.03Å; D95-S143 PolarHBondContact OD1-N 2.91Å; D95-S143 VanDerWaalsContact OD2-CB 3.23Å; D95-S143 WeakPolarHBondContact OD2-CB 3.31Å; D95-S143 PolarHBondContact OD2-OG 2.9Å; S143-S145 VanDerWaalsContact C-N 3.26Å; S143-S145 PolarHBondContact O-N 2.97Å; S143-S146 PolarHBondContact O-N 3.1Å; S143-S146 PolarHBondContact O-OG 3.4Å
144	A	97.1	Very high	95.6	Very high	3 Å²	3	41.5 Å²	41.5	3%	0.025	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-64.5	-29.9	176.9	0	0	0	0	0	112.9	D95 L98 L140 G141 L142 S146 S147 Y148 A170	D95-A144 PolarHBondContact O-N 2.9Å; D95-A144 VanDerWaalsContact O-N 3.11Å; L98-A144 HydrophobicContact CD2-CB 3.77Å; L140-A144 HydrophobicContact CB-CB 4.21Å; L140-A144 HydrophobicContact CD1-CB 4.29Å; G141-A144 PolarHBondContact O-N 3.37Å; L142-A144 VanDerWaalsContact C-N 3.29Å; L142-A144 PolarHBondContact O-N 3.44Å; A144-S146 PolarHBondContact O-N 3.19Å; A144-S146 VanDerWaalsContact O-N 3.09Å; A144-S147 PolarHBondContact O-N 3.14Å; A144-S147 VanDerWaalsContact O-N 3.09Å; A144-Y148 PolarHBondContact O-N 2.71Å; A144-Y148 VanDerWaalsContact O-N 3.16Å; A144-A170 HydrophobicContact CB-CB 3.76Å
145	S	94	Very high	95.6	Very high	47 Å²	47	41.5 Å²	41.5	33%	0.329	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-65.2	-12.9	-179.2	76	0	0	0	0	114.8	L140 G141 L142 S143 S147 Y148	L140-S145 VanDerWaalsContact CD1-CA 3.5Å; G141-S145 PolarHBondContact O-N 3.45Å; G141-S145 VanDerWaalsContact O-N 3.15Å; L142-S145 WeakPolarHBondContact O-CB 3.3Å; L142-S145 PolarHBondContact O-N 2.7Å; L142-S145 VanDerWaalsContact O-N 3.14Å; L142-S145 PolarHBondContact O-OG 3.24Å; S143-S145 VanDerWaalsContact C-N 3.26Å; S143-S145 PolarHBondContact O-N 2.97Å; S145-S147 PolarHBondContact O-N 2.98Å; S145-Y148 WeakPolarHBondContact CA-O 3.48Å
146	S	95.9	Very high	95.6	Very high	101 Å²	101	41.7 Å²	41.7	71%	0.706	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-67.3	-21.5	172.4	64.6	0	0	0	0	113.8	S143 A144	S143-S146 PolarHBondContact O-N 3.1Å; S143-S146 PolarHBondContact O-OG 3.4Å; A144-S146 PolarHBondContact O-N 3.19Å; A144-S146 VanDerWaalsContact O-N 3.09Å
147	S	96.1	Very high	95.5	Very high	90 Å²	90	40.3 Å²	40.3	63%	0.629	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128	-14.8	-174.7	-57	0	0	0	0	114	A144 S145	A144-S147 PolarHBondContact O-N 3.14Å; A144-S147 VanDerWaalsContact O-N 3.09Å; S145-S147 PolarHBondContact O-N 2.98Å
148	Y	96.6	Very high	95.1	Very high	18 Å²	18	41.6 Å²	41.6	7%	0.071	27%	0.269	C	S	.	.			trans	-138.3	157.2	-175.8	-67.2	-82.8	0	0	0	111.2	L98 L140 A144 S145 D152 V154 A170 S173 P175	L98-Y148 HydrophobicContact CD1-CD1 4.04Å; L98-Y148 HydrophobicContact CD1-CD2 4.02Å; L98-Y148 HydrophobicContact CD1-CE1 4.26Å; L98-Y148 HydrophobicContact CD1-CE2 4.25Å; L98-Y148 HydrophobicContact CD1-CG 3.91Å; L98-Y148 HydrophobicContact CD2-CD2 4.1Å; L98-Y148 HydrophobicContact CD2-CG 4.05Å; L140-Y148 VanDerWaalsContact CD1-O 3.27Å; L140-Y148 WeakPolarHBondContact CD1-O 3.47Å; A144-Y148 PolarHBondContact O-N 2.71Å; A144-Y148 VanDerWaalsContact O-N 3.16Å; S145-Y148 WeakPolarHBondContact CA-O 3.48Å; Y148-D152 WeakPolarHBondContact CA-OD2 3.37Å; Y148-V154 HydrophobicContact CD1-CG1 3.8Å; Y148-V154 HydrophobicContact CE1-CG1 3.5Å; Y148-V154 VanDerWaalsContact CE1-CG1 3.5Å; Y148-A170 HydrophobicContact CD2-CB 3.97Å; Y148-A170 HydrophobicContact CE2-CB 3.95Å; Y148-A170 VanDerWaalsContact CE2-O 3.31Å; Y148-A170 WeakPolarHBondContact CE2-O 3.36Å; Y148-A170 PolarHBondContact OH-O 2.77Å; Y148-S173 PolarHBondContact OH-O 3.43Å; Y148-P175 HydrophobicContact CE1-CG 3.9Å
149	T	94.8	Very high	94.9	Very high	82 Å²	82	43.4 Å²	43.4	50%	0.503	28%	0.283	S	S	.	.			trans	-131.5	157.2	174.7	62.2	0	0	0	0	110.6	G151 D152	T149-G151 PolarHBondContact O-N 3.25Å; T149-D152 PolarHBondContact N-OD2 3.32Å; T149-D152 WeakPolarHBondContact O-CB 3.46Å; T149-D152 PolarHBondContact O-N 3.02Å; T149-D152 PolarHBondContact OG1-OD1 2.85Å; T149-D152 PolarHBondContact OG1-OD2 3.24Å
150	V	94	Very high	95.1	Very high	89 Å²	89	43.1 Å²	43.1	54%	0.539	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	135.4	169.1	175.2	0	0	0	0	108.6	V137 L140	V137-V150 CarbonylContact O-C 3.52Å; V137-V150 WeakPolarHBondContact O-CA 3.26Å; L140-V150 HydrophobicContact CD2-CB 4.49Å; L140-V150 HydrophobicContact CD2-CG2 3.39Å
151	G	90.7	Very high	95.1	Very high	38 Å²	38	42.3 Å²	42.3	39%	0.392	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.6	-14.9	-174.2	0	0	0	0	0	114.3	E136 V137 T149	E136-G151 WeakPolarHBondContact OE1-CA 3.4Å; V137-G151 PolarHBondContact O-N 3.39Å; T149-G151 PolarHBondContact O-N 3.25Å
152	D	95.5	Very high	95.3	Very high	57 Å²	57	42 Å²	42	31%	0.305	27%	0.273	S	S	.	.			trans	-61.7	140.2	173.8	-76.7	-21	0	0	0	110.6	E136 V137 Y148 T149	E136-D152 CarbonylContact C-O 3.54Å; E136-D152 WeakPolarHBondContact CA-O 3.14Å; V137-D152 HydrophobicContact CB-CB 4.46Å; V137-D152 HydrophobicContact CG2-CB 4.13Å; V137-D152 PolarHBondContact N-O 3.28Å; Y148-D152 WeakPolarHBondContact CA-OD2 3.37Å; T149-D152 PolarHBondContact N-OD2 3.32Å; T149-D152 WeakPolarHBondContact O-CB 3.46Å; T149-D152 PolarHBondContact O-N 3.02Å; T149-D152 PolarHBondContact OG1-OD1 2.85Å; T149-D152 PolarHBondContact OG1-OD2 3.24Å
153	T	97.6	Very high	95.5	Very high	31 Å²	31	37.1 Å²	37.1	19%	0.19	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	126.9	167.5	-53.7	0	0	0	0	110.1	I134 G135 V176 A179	I134-T153 HydrophobicContact CG1-CG2 4.17Å; G135-T153 WeakPolarHBondContact O-CA 2.98Å; G135-T153 WeakPolarHBondContact O-CG2 3.25Å; T153-V176 HydrophobicContact CG2-CG2 3.49Å; T153-V176 VanDerWaalsContact CG2-CG2 3.49Å; T153-V176 PolarHBondContact O-N 2.81Å; T153-V176 VanDerWaalsContact O-N 3.1Å; T153-A179 HydrophobicContact CG2-CB 3.75Å
154	V	98.4	Very high	95.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	148.1	176.3	-60.5	0	0	0	0	111.4	L98 V100 I134 G135 V137 Y148 I174	L98-V154 HydrophobicContact CD1-CG1 4.29Å; L98-V154 HydrophobicContact CD1-CG2 4.37Å; V100-V154 HydrophobicContact CB-CG2 4.47Å; V100-V154 HydrophobicContact CG1-CG2 4.13Å; V100-V154 HydrophobicContact CG2-CG2 3.44Å; V100-V154 VanDerWaalsContact CG2-CG2 3.44Å; I134-V154 WeakPolarHBondContact CA-O 3.41Å; G135-V154 PolarHBondContact N-O 3.32Å; G135-V154 PolarHBondContact O-N 3.2Å; V137-V154 HydrophobicContact CG2-CB 4.45Å; V137-V154 HydrophobicContact CG2-CG1 3.83Å; V137-V154 HydrophobicContact CG2-CG2 3.75Å; Y148-V154 HydrophobicContact CD1-CG1 3.8Å; Y148-V154 HydrophobicContact CE1-CG1 3.5Å; Y148-V154 VanDerWaalsContact CE1-CG1 3.5Å; V154-I174 CarbonylContact C-O 3.56Å; V154-I174 WeakPolarHBondContact CA-O 3.32Å
155	A	98.4	Very high	95.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	155.1	167.3	0	0	0	0	0	109.8	G133 I134 I174 V176 L187	G133-A155 CarbonylContact O-C 3.45Å; G133-A155 WeakPolarHBondContact O-CA 3.41Å; I134-A155 HydrophobicContact CB-CB 4.23Å; I134-A155 HydrophobicContact CD1-CB 4.4Å; I134-A155 HydrophobicContact CG1-CB 4.1Å; A155-I174 HydrophobicContact CB-CB 4.38Å; A155-I174 PolarHBondContact N-O 3.38Å; A155-I174 WeakPolarHBondContact O-CB 3.49Å; A155-I174 PolarHBondContact O-N 3.07Å; A155-V176 HydrophobicContact CB-CG1 3.97Å; A155-V176 HydrophobicContact CB-CG2 4.38Å; A155-L187 HydrophobicContact CB-CD1 3.81Å; A155-L187 HydrophobicContact CB-CD2 3.78Å; A155-L187 HydrophobicContact CB-CG 4.34Å
156	Y	98.1	Very high	95.8	Very high	5 Å²	5	35.7 Å²	35.7	2%	0.02	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	155.5	177.8	65.8	-87.5	0	0	0	111.8	V100 N102 E132 G133 A161 T166 V168	V100-Y156 HydrophobicContact CB-CE1 4.42Å; V100-Y156 HydrophobicContact CG1-CE1 4.2Å; N102-Y156 PolarHBondContact ND2-OH 3.21Å; N102-Y156 VanDerWaalsContact ND2-OH 3.1Å; N102-Y156 WeakPolarHBondContact OD1-CE1 3.33Å; N102-Y156 PolarHBondContact OD1-OH 2.88Å; E132-Y156 VanDerWaalsContact CA-O 3.29Å; E132-Y156 WeakPolarHBondContact CA-O 3.42Å; G133-Y156 PolarHBondContact N-O 2.81Å; G133-Y156 VanDerWaalsContact N-O 3.11Å; G133-Y156 WeakPolarHBondContact O-CD1 3.32Å; G133-Y156 PolarHBondContact O-N 2.69Å; Y156-A161 HydrophobicContact CE2-CB 3.99Å; Y156-A161 WeakPolarHBondContact OH-CA 3.38Å; Y156-T166 HydrophobicContact CE2-CG2 4.04Å; Y156-T166 WeakPolarHBondContact OH-CB 3.48Å; Y156-T166 PolarHBondContact OH-OG1 3.26Å; Y156-V168 HydrophobicContact CD1-CG1 3.84Å; Y156-V168 HydrophobicContact CD2-CG1 3.57Å; Y156-V168 HydrophobicContact CE1-CG1 4Å; Y156-V168 HydrophobicContact CE2-CG1 3.74Å; Y156-V168 HydrophobicContact CG-CB 4.43Å; Y156-V168 HydrophobicContact CG-CG1 3.63Å
157	F	94.4	Very high	95.9	Very high	56 Å²	56	32 Å²	32	25%	0.246	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	116.8	169.8	164.9	-118.4	0	0	0	108.9	F131 E132 V188 L338	F131-F157 HydrophobicContact CB-CD2 4.12Å; F131-F157 HydrophobicContact CB-CE2 3.88Å; F131-F157 HydrophobicContact CD1-CE2 4.35Å; F131-F157 HydrophobicContact CG-CE2 4.31Å; F131-F157 CarbonylContact O-C 3.57Å; F131-F157 WeakPolarHBondContact O-CA 3.38Å; F131-F157 WeakPolarHBondContact O-CD2 3.43Å; E132-F157 HydrophobicContact CB-CD2 4.46Å; F157-V188 HydrophobicContact CB-CG2 4.32Å; F157-V188 HydrophobicContact CD2-CG2 3.16Å; F157-V188 HydrophobicContact CE2-CG2 3.5Å; F157-V188 HydrophobicContact CG-CG2 3.77Å; F157-V188 HydrophobicContact CZ-CG2 4.33Å; F157-L338 HydrophobicContact CE1-CD2 4.13Å
158	G	88.3	Confident	96	Very high	26 Å²	26	28 Å²	28	27%	0.268	17%	0.173	S	C	.	.	S	Bend	trans	178.8	165.9	-176.2	0	0	0	0	0	111.4	F131	F131-G158 CarbonylContact C-O 3.49Å; F131-G158 VanDerWaalsContact CA-O 3.29Å; F131-G158 WeakPolarHBondContact CA-O 3.41Å; F131-G158 CarbonylContact O-C 3.57Å; F131-G158 PolarHBondContact O-N 2.85Å
159	S	88.7	Confident	96	Very high	62 Å²	62	28.5 Å²	28.5	43%	0.434	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	144.3	-179.7	57.5	0	0	0	0	112.8	G130	G130-S159 CarbonylContact O-C 3.15Å; G130-S159 WeakPolarHBondContact O-CA 3.47Å
160	G	95.8	Very high	96.2	Very high	6 Å²	6	25.2 Å²	25.2	6%	0.062	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.3	19.9	169.7	0	0	0	0	0	114.8	A129 G130 F162 T166	A129-G160 CarbonylContact O-C 3.24Å; A129-G160 VanDerWaalsContact O-C 3.25Å; A129-G160 WeakPolarHBondContact O-CA 3.19Å; G130-G160 PolarHBondContact O-N 3.16Å; G160-F162 VanDerWaalsContact C-N 3.28Å; G160-F162 PolarHBondContact O-N 3.42Å; G160-T166 PolarHBondContact O-OG1 2.89Å; G160-T166 VanDerWaalsContact O-OG1 3.1Å
161	A	97.9	Very high	96.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.17	C	C	.	.			trans	-69	-22	179.9	0	0	0	0	0	113.9	N102 V105 A129 G130 E132 Y156 A163	N102-A161 PolarHBondContact ND2-O 3.18Å; V105-A161 HydrophobicContact CG1-CB 4.48Å; V105-A161 WeakPolarHBondContact CG1-O 3.46Å; A129-A161 PolarHBondContact O-N 3.09Å; G130-A161 PolarHBondContact O-N 3.45Å; E132-A161 VanDerWaalsContact C-CB 3.44Å; E132-A161 WeakPolarHBondContact O-CB 3.46Å; Y156-A161 HydrophobicContact CE2-CB 3.99Å; Y156-A161 WeakPolarHBondContact OH-CA 3.38Å; A161-A163 PolarHBondContact O-N 3.34Å
162	F	98.6	Very high	96.4	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	17%	0.171	C	C	.	.	S	Bend	trans	-77.3	63	176.8	-61.8	-17.3	0	0	0	111.6	K69 L70 F79 V105 G106 I107 D111 A129 G160 L379 V382	K69-F162 CarbonylContact C-O 3.54Å; K69-F162 WeakPolarHBondContact CA-O 3.29Å; L70-F162 HydrophobicContact CB-CB 3.79Å; L70-F162 HydrophobicContact CD1-CB 3.96Å; L70-F162 HydrophobicContact CD1-CD2 3.94Å; L70-F162 HydrophobicContact CD1-CG 4.22Å; L70-F162 HydrophobicContact CG-CB 3.98Å; L70-F162 PolarHBondContact N-O 3.47Å; F79-F162 HydrophobicContact CE2-CE2 4.44Å; F79-F162 HydrophobicContact CZ-CD2 4.19Å; F79-F162 AromaticContact CZ-CE2 3.92Å; F79-F162 HydrophobicContact CZ-CE2 3.92Å; V105-F162 HydrophobicContact CB-CD1 3.97Å; V105-F162 HydrophobicContact CB-CE1 4.14Å; V105-F162 HydrophobicContact CG2-CD1 3.76Å; V105-F162 HydrophobicContact CG2-CE1 3.96Å; G106-F162 WeakPolarHBondContact O-CE1 3.35Å; I107-F162 HydrophobicContact CD1-CE1 3.77Å; I107-F162 HydrophobicContact CD1-CZ 3.6Å; D111-F162 WeakPolarHBondContact OD2-CZ 3.37Å; A129-F162 HydrophobicContact CB-CD2 3.82Å; A129-F162 WeakPolarHBondContact O-CB 3.26Å; A129-F162 PolarHBondContact O-N 2.98Å; G160-F162 VanDerWaalsContact C-N 3.28Å; G160-F162 PolarHBondContact O-N 3.42Å; F162-L379 HydrophobicContact CB-CD2 4.44Å; F162-V382 HydrophobicContact CD1-CG2 4.49Å; F162-V382 HydrophobicContact CD2-CG1 3.85Å; F162-V382 HydrophobicContact CE1-CG1 4.47Å; F162-V382 HydrophobicContact CE2-CG1 3.63Å; F162-V382 HydrophobicContact CG-CG1 4.37Å; F162-V382 HydrophobicContact CZ-CG1 3.97Å
163	A	98.3	Very high	96.5	Very high	4 Å²	4	29.2 Å²	29.2	3%	0.033	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-144.5	154.6	178.3	0	0	0	0	0	109.7	M67 K69 N102 A161 Y165	M67-A163 HydrophobicContact CE-CB 4.37Å; K69-A163 HydrophobicContact CB-CB 3.52Å; N102-A163 WeakPolarHBondContact CB-O 3.33Å; N102-A163 PolarHBondContact ND2-O 2.74Å; A161-A163 PolarHBondContact O-N 3.34Å; A163-Y165 VanDerWaalsContact C-N 3.28Å; A163-Y165 WeakPolarHBondContact CB-O 3.39Å
164	E	97.7	Very high	96.5	Very high	57 Å²	57	28.9 Å²	28.9	27%	0.266	16%	0.156	S	C	.	.	S	Bend	trans	-66.7	-33.8	171.4	-63.1	176.2	134.5	0	0	111.6	M67 K68 R101 N102 L379 V402	M67-E164 WeakPolarHBondContact CA-OE2 3.4Å; M67-E164 HydrophobicContact CB-CB 4.17Å; M67-E164 WeakPolarHBondContact CB-OE2 3.47Å; K68-E164 HydrophobicContact CB-CG 4.31Å; K68-E164 PolarHBondContact N-OE2 3.45Å; K68-E164 PolarHBondContact O-N 3.13Å; R101-E164 CarbonylContact C-O 3.54Å; R101-E164 WeakPolarHBondContact CA-O 3.49Å; N102-E164 PolarHBondContact N-O 2.92Å; E164-L379 HydrophobicContact CG-CD1 4.16Å; E164-V402 HydrophobicContact CB-CG1 4.49Å; E164-V402 HydrophobicContact CG-CG1 4.14Å
165	Y	97.5	Very high	96.4	Very high	16 Å²	16	33 Å²	33	6%	0.063	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	138.6	172.4	-53.3	-103.2	0	0	0	111.2	I63 P64 M67 V90 L99 V100 R101 V138 A163	I63-Y165 HydrophobicContact CG2-CE1 4.48Å; P64-Y165 WeakPolarHBondContact CD-OH 3.46Å; P64-Y165 HydrophobicContact CG-CE2 3.78Å; M67-Y165 HydrophobicContact CB-CD2 3.87Å; M67-Y165 HydrophobicContact CB-CE2 4.37Å; M67-Y165 WeakPolarHBondContact CE-O 3.33Å; M67-Y165 HydrophobicContact CG-CD2 4.49Å; M67-Y165 VanDerWaalsContact SD-CB 3.6Å; M67-Y165 HydrophobicContact SD-CD2 3.86Å; M67-Y165 HydrophobicContact SD-CG 4.21Å; M67-Y165 VanDerWaalsContact SD-O 3.35Å; V90-Y165 HydrophobicContact CG1-CG 4.26Å; V90-Y165 HydrophobicContact CG2-CD2 4.02Å; V90-Y165 HydrophobicContact CG2-CE2 4.34Å; L99-Y165 HydrophobicContact CG-CD1 4.45Å; V100-Y165 CarbonylContact O-C 3.55Å; V100-Y165 WeakPolarHBondContact O-CA 3.28Å; R101-Y165 HydrophobicContact CB-CD1 3.76Å; R101-Y165 HydrophobicContact CB-CE1 3.59Å; R101-Y165 HydrophobicContact CG-CD1 4.11Å; R101-Y165 HydrophobicContact CG-CE1 3.61Å; V138-Y165 HydrophobicContact CG2-CD1 3.77Å; V138-Y165 HydrophobicContact CG2-CE1 3.86Å; A163-Y165 VanDerWaalsContact C-N 3.28Å; A163-Y165 WeakPolarHBondContact CB-O 3.39Å
166	T	97.9	Very high	96.3	Very high	11 Å²	11	33.5 Å²	33.5	7%	0.067	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	135.5	177.7	-57.2	0	0	0	0	110.1	V100 N102 Y156 G160 V168	V100-T166 PolarHBondContact N-O 2.95Å; V100-T166 PolarHBondContact O-N 3.23Å; N102-T166 PolarHBondContact ND2-OG1 3.22Å; Y156-T166 HydrophobicContact CE2-CG2 4.04Å; Y156-T166 WeakPolarHBondContact OH-CB 3.48Å; Y156-T166 PolarHBondContact OH-OG1 3.26Å; G160-T166 PolarHBondContact O-OG1 2.89Å; G160-T166 VanDerWaalsContact O-OG1 3.1Å; T166-V168 HydrophobicContact CG2-CG1 3.87Å
167	V	98.1	Very high	96.2	Very high	23 Å²	23	38.4 Å²	38.4	14%	0.139	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	126.4	169.6	173.2	0	0	0	0	109.2	P91 P93 E97 L98 L99	P91-V167 HydrophobicContact CB-CG2 3.76Å; P91-V167 HydrophobicContact CG-CG2 3.69Å; P93-V167 HydrophobicContact CB-CG1 4.47Å; P93-V167 HydrophobicContact CB-CG2 4.49Å; E97-V167 HydrophobicContact CB-CG1 3.72Å; E97-V167 VanDerWaalsContact CD-CG1 3.42Å; E97-V167 HydrophobicContact CG-CG1 4.14Å; E97-V167 WeakPolarHBondContact OE2-CG1 3.19Å; L98-V167 CarbonylContact O-C 3.6Å; L98-V167 VanDerWaalsContact O-CA 3.25Å; L98-V167 WeakPolarHBondContact O-CA 3.41Å; L99-V167 HydrophobicContact CD1-CG2 3.84Å
168	V	97.9	Very high	96.1	Very high	6 Å²	6	37.5 Å²	37.5	4%	0.036	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	141.1	-177.3	-61	0	0	0	0	110.7	E97 L98 V100 Y156 T166 A170 S173	E97-V168 CarbonylContact C-O 3.17Å; E97-V168 WeakPolarHBondContact CA-O 3.29Å; L98-V168 HydrophobicContact CB-CG2 3.91Å; L98-V168 HydrophobicContact CD1-CG2 4.49Å; L98-V168 HydrophobicContact CG-CG2 4.5Å; L98-V168 PolarHBondContact N-O 3.48Å; L98-V168 PolarHBondContact O-N 3.18Å; V100-V168 HydrophobicContact CG2-CG2 3.58Å; Y156-V168 HydrophobicContact CD1-CG1 3.84Å; Y156-V168 HydrophobicContact CD2-CG1 3.57Å; Y156-V168 HydrophobicContact CE1-CG1 4Å; Y156-V168 HydrophobicContact CE2-CG1 3.74Å; Y156-V168 HydrophobicContact CG-CB 4.43Å; Y156-V168 HydrophobicContact CG-CG1 3.63Å; T166-V168 HydrophobicContact CG2-CG1 3.87Å; V168-A170 PolarHBondContact O-N 2.84Å; V168-S173 WeakPolarHBondContact CG2-OG 3.49Å
169	P	97.8	Very high	96.4	Very high	29 Å²	29	37.8 Å²	37.8	19%	0.188	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	133	172.4	-22.2	34.3	0	0	0	111	K171 E172 S173	P169-K171 HydrophobicContact CB-CG 4.04Å; P169-K171 PolarHBondContact O-N 3.29Å; P169-E172 HydrophobicContact CB-CB 4.27Å; P169-E172 HydrophobicContact CB-CG 4.46Å; P169-E172 PolarHBondContact O-N 3.43Å; P169-S173 PolarHBondContact O-N 3.25Å; P169-S173 PolarHBondContact O-OG 2.62Å
170	A	97.7	Very high	96.8	Very high	13 Å²	13	40.2 Å²	40.2	11%	0.107	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-58.7	-34.3	-179.2	0	0	0	0	0	112.4	A96 L98 A144 Y148 V168 E172 S173	A96-A170 WeakPolarHBondContact O-CB 3.32Å; A96-A170 PolarHBondContact O-N 3.24Å; L98-A170 HydrophobicContact CD2-CB 4.11Å; L98-A170 HydrophobicContact CG-CB 4.09Å; A144-A170 HydrophobicContact CB-CB 3.76Å; Y148-A170 HydrophobicContact CD2-CB 3.97Å; Y148-A170 HydrophobicContact CE2-CB 3.95Å; Y148-A170 VanDerWaalsContact CE2-O 3.31Å; Y148-A170 WeakPolarHBondContact CE2-O 3.36Å; Y148-A170 PolarHBondContact OH-O 2.77Å; V168-A170 PolarHBondContact O-N 2.84Å; A170-E172 VanDerWaalsContact C-N 3.25Å; A170-E172 PolarHBondContact O-N 2.98Å; A170-S173 WeakPolarHBondContact O-CB 3.44Å; A170-S173 PolarHBondContact O-N 3.44Å
171	K	95.9	Very high	96.9	Very high	174 Å²	174	40.8 Å²	40.8	76%	0.757	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-66.6	-21.3	176.8	67.3	172.5	-169.6	176	0	114.7	P169	P169-K171 HydrophobicContact CB-CG 4.04Å; P169-K171 PolarHBondContact O-N 3.29Å
172	E	94.4	Very high	96.9	Very high	85 Å²	85	43.8 Å²	43.8	40%	0.397	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-102.1	-4	179.8	-77.2	161.5	-141.4	0	0	111.5	P169 A170	P169-E172 HydrophobicContact CB-CB 4.27Å; P169-E172 HydrophobicContact CB-CG 4.46Å; P169-E172 PolarHBondContact O-N 3.43Å; A170-E172 VanDerWaalsContact C-N 3.25Å; A170-E172 PolarHBondContact O-N 2.98Å
173	S	97	Very high	96.9	Very high	9 Å²	9	44.6 Å²	44.6	6%	0.063	24%	0.242	C	C	.	.			trans	-82.8	146	176.8	-57.2	0	0	0	0	110.4	L98 Y148 V168 P169 A170	L98-S173 WeakPolarHBondContact CD1-OG 3.31Å; Y148-S173 PolarHBondContact OH-O 3.43Å; V168-S173 WeakPolarHBondContact CG2-OG 3.49Å; P169-S173 PolarHBondContact O-N 3.25Å; P169-S173 PolarHBondContact O-OG 2.62Å; A170-S173 WeakPolarHBondContact O-CB 3.44Å; A170-S173 PolarHBondContact O-N 3.44Å
174	I	97.2	Very high	96.9	Very high	23 Å²	23	44.4 Å²	44.4	12%	0.118	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	109.8	-174.7	-60.1	152.1	0	0	0	107.2	V154 A155 V176 L187 Y345 L349 M353	V154-I174 CarbonylContact C-O 3.56Å; V154-I174 WeakPolarHBondContact CA-O 3.32Å; A155-I174 HydrophobicContact CB-CB 4.38Å; A155-I174 PolarHBondContact N-O 3.38Å; A155-I174 WeakPolarHBondContact O-CB 3.49Å; A155-I174 PolarHBondContact O-N 3.07Å; I174-V176 HydrophobicContact CG2-CG1 4.35Å; I174-V176 PolarHBondContact O-N 3.39Å; I174-L187 HydrophobicContact CD1-CD2 3.58Å; I174-Y345 HydrophobicContact CD1-CE1 4.04Å; I174-L349 HydrophobicContact CD1-CD1 3.5Å; I174-L349 HydrophobicContact CG1-CD1 4Å; I174-L349 HydrophobicContact CG2-CD1 4.32Å; I174-M353 HydrophobicContact CG2-CE 3.46Å; I174-M353 VanDerWaalsContact CG2-CE 3.46Å
175	P	97	Very high	96.9	Very high	86 Å²	86	41.7 Å²	41.7	56%	0.558	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60.6	133.7	175.1	-18.5	29.4	0	0	0	110.4	Y148	Y148-P175 HydrophobicContact CE1-CG 3.9Å
176	V	96.7	Very high	97	Very high	12 Å²	12	41 Å²	41	7%	0.073	22%	0.224	C	C	.	.			trans	-135.5	148.6	177.6	-67.4	0	0	0	0	109.7	I134 T153 A155 I174 S178 F183 M353	I134-V176 HydrophobicContact CD1-CG2 3.73Å; I134-V176 HydrophobicContact CG1-CG2 4.05Å; T153-V176 HydrophobicContact CG2-CG2 3.49Å; T153-V176 VanDerWaalsContact CG2-CG2 3.49Å; T153-V176 PolarHBondContact O-N 2.81Å; T153-V176 VanDerWaalsContact O-N 3.1Å; A155-V176 HydrophobicContact CB-CG1 3.97Å; A155-V176 HydrophobicContact CB-CG2 4.38Å; I174-V176 HydrophobicContact CG2-CG1 4.35Å; I174-V176 PolarHBondContact O-N 3.39Å; V176-S178 VanDerWaalsContact C-N 3.25Å; V176-S178 PolarHBondContact O-N 3.29Å; V176-F183 HydrophobicContact CB-CD2 4.45Å; V176-F183 HydrophobicContact CB-CG 4.34Å; V176-F183 HydrophobicContact CG1-CB 4.19Å; V176-F183 HydrophobicContact CG1-CG 4.34Å; V176-M353 HydrophobicContact CG1-CE 4Å
177	P	94.3	Very high	97	Very high	107 Å²	107	40.4 Å²	40.4	70%	0.695	22%	0.221	S	C	*	.	S	Bend	trans	-71.9	-17.3	-169.6	25.6	-33.3	0	0	0	114.1	F183	P177-F183 HydrophobicContact CG-CE1 4.02Å; P177-F183 HydrophobicContact CG-CE2 3.74Å; P177-F183 HydrophobicContact CG-CZ 3.33Å
178	S	94.3	Very high	97	Very high	37 Å²	37	40.2 Å²	40.2	26%	0.259	22%	0.22	S	C	.	.	S	Bend	trans	-166.7	158.8	175.6	53.8	0	0	0	0	110	V176 K180 F183	V176-S178 VanDerWaalsContact C-N 3.25Å; V176-S178 PolarHBondContact O-N 3.29Å; S178-K180 PolarHBondContact O-N 2.96Å; S178-K180 WeakPolarHBondContact OG-CD 3.3Å; S178-K180 WeakPolarHBondContact OG-CG 3.22Å; S178-F183 WeakPolarHBondContact O-CD2 3.45Å
179	A	93.9	Very high	97	Very high	32 Å²	32	40.3 Å²	40.3	26%	0.264	22%	0.221	S	C	.	.			trans	-76.9	58.8	-180	0	0	0	0	0	111.2	R103 F104 T153	R103-A179 HydrophobicContact CB-CB 4.08Å; R103-A179 HydrophobicContact CG-CB 4.12Å; F104-A179 WeakPolarHBondContact CD2-O 3.33Å; F104-A179 WeakPolarHBondContact CE2-O 3.33Å; T153-A179 HydrophobicContact CG2-CB 3.75Å
180	K	96.4	Very high	97.1	Very high	113 Å²	113	39 Å²	39	49%	0.491	21%	0.212	S	C	.	.			trans	-95.3	134.5	178.6	-75.9	-177.5	-174.3	-175.8	0	110.6	I134 S178 E182 F183	I134-K180 WeakPolarHBondContact CD1-O 3.27Å; S178-K180 PolarHBondContact O-N 2.96Å; S178-K180 WeakPolarHBondContact OG-CD 3.3Å; S178-K180 WeakPolarHBondContact OG-CG 3.22Å; K180-E182 WeakPolarHBondContact CB-OE2 3.3Å; K180-E182 PolarHBondContact O-N 3.17Å; K180-E182 VanDerWaalsContact O-N 3.16Å; K180-F183 HydrophobicContact CB-CD2 3.85Å; K180-F183 HydrophobicContact CB-CE2 4.02Å; K180-F183 HydrophobicContact CD-CE2 4.4Å; K180-F183 PolarHBondContact O-N 3.16Å
181	P	97.4	Very high	97.1	Very high	19 Å²	19	38.3 Å²	38.3	12%	0.123	21%	0.207	C	C	.	.	H	α-helix	trans	-63.3	-22.9	-175.2	28.2	-35.9	0	0	0	113.1	F104 F183 L184 T185 V365 V399	F104-P181 HydrophobicContact CD1-CB 4.23Å; F104-P181 HydrophobicContact CD2-CB 4.18Å; F104-P181 HydrophobicContact CE1-CB 4.47Å; F104-P181 HydrophobicContact CE1-CG 4.5Å; F104-P181 HydrophobicContact CE2-CB 4.45Å; F104-P181 HydrophobicContact CE2-CG 4.38Å; F104-P181 HydrophobicContact CG-CB 4.09Å; F104-P181 HydrophobicContact CZ-CG 4.34Å; P181-F183 VanDerWaalsContact C-N 3.3Å; P181-F183 PolarHBondContact O-N 2.89Å; P181-L184 WeakPolarHBondContact O-CB 3.37Å; P181-L184 PolarHBondContact O-N 2.9Å; P181-T185 WeakPolarHBondContact O-CG2 3.3Å; P181-T185 PolarHBondContact O-N 2.8Å; P181-V365 HydrophobicContact CB-CG1 3.9Å; P181-V365 HydrophobicContact CB-CG2 4.09Å; P181-V365 HydrophobicContact CG-CG1 4.1Å; P181-V365 HydrophobicContact CG-CG2 4.27Å; P181-V399 HydrophobicContact CB-CG1 3.98Å; P181-V399 HydrophobicContact CB-CG2 4.46Å
182	E	98.4	Very high	97.3	Very high	62 Å²	62	30.9 Å²	30.9	29%	0.29	18%	0.176	S	C	.	.	H	α-helix	trans	-60.1	-38.2	176.6	-63.9	89	155.4	0	0	111.9	K180 L184 T185 F356 C363 V365	K180-E182 WeakPolarHBondContact CB-OE2 3.3Å; K180-E182 PolarHBondContact O-N 3.17Å; K180-E182 VanDerWaalsContact O-N 3.16Å; E182-L184 VanDerWaalsContact C-N 3.29Å; E182-L184 PolarHBondContact O-N 3.17Å; E182-T185 WeakPolarHBondContact O-CB 3.22Å; E182-T185 PolarHBondContact O-N 3.24Å; E182-T185 PolarHBondContact O-OG1 3.24Å; E182-F356 HydrophobicContact CB-CE1 3.94Å; E182-F356 HydrophobicContact CB-CE2 3.88Å; E182-F356 HydrophobicContact CB-CZ 3.32Å; E182-F356 HydrophobicContact CG-CE2 4.22Å; E182-F356 HydrophobicContact CG-CZ 3.83Å; E182-C363 HydrophobicContact CB-CB 3.93Å; E182-C363 HydrophobicContact CG-CB 4.28Å; E182-V365 HydrophobicContact CG-CG2 4.12Å
183	F	98.4	Very high	97.5	Very high	19 Å²	19	26.9 Å²	26.9	8%	0.083	16%	0.157	C	C	.	.	H	α-helix	trans	-65.8	-34.8	175.3	-66.5	-64.3	0	0	0	112.1	I134 V176 P177 S178 K180 P181 T185 L186 F356	I134-F183 HydrophobicContact CD1-CB 3.96Å; V176-F183 HydrophobicContact CB-CD2 4.45Å; V176-F183 HydrophobicContact CB-CG 4.34Å; V176-F183 HydrophobicContact CG1-CB 4.19Å; V176-F183 HydrophobicContact CG1-CG 4.34Å; P177-F183 HydrophobicContact CG-CE1 4.02Å; P177-F183 HydrophobicContact CG-CE2 3.74Å; P177-F183 HydrophobicContact CG-CZ 3.33Å; S178-F183 WeakPolarHBondContact O-CD2 3.45Å; K180-F183 HydrophobicContact CB-CD2 3.85Å; K180-F183 HydrophobicContact CB-CE2 4.02Å; K180-F183 HydrophobicContact CD-CE2 4.4Å; K180-F183 PolarHBondContact O-N 3.16Å; P181-F183 VanDerWaalsContact C-N 3.3Å; P181-F183 PolarHBondContact O-N 2.89Å; F183-T185 VanDerWaalsContact C-N 3.26Å; F183-T185 PolarHBondContact O-N 3.46Å; F183-L186 WeakPolarHBondContact O-CB 3.23Å; F183-L186 PolarHBondContact O-N 2.83Å; F183-F356 HydrophobicContact CD1-CD1 4.14Å; F183-F356 HydrophobicContact CD1-CE1 4.22Å; F183-F356 AromaticContact CE1-CD1 3.67Å; F183-F356 HydrophobicContact CE1-CD1 3.67Å; F183-F356 AromaticContact CE1-CE1 3.77Å; F183-F356 HydrophobicContact CE1-CE1 3.77Å; F183-F356 HydrophobicContact CZ-CD1 4.22Å; F183-F356 AromaticContact CZ-CE1 3.91Å; F183-F356 HydrophobicContact CZ-CE1 3.91Å
184	L	98.2	Very high	97.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.8	-32.2	177.4	-179.9	131.2	0	0	0	111.5	E132 I134 P181 E182 L186 L187 V399	E132-L184 HydrophobicContact CG-CD1 4.22Å; E132-L184 HydrophobicContact CG-CD2 4.29Å; E132-L184 HydrophobicContact CG-CG 4.16Å; I134-L184 HydrophobicContact CB-CB 4.39Å; I134-L184 HydrophobicContact CB-CD1 4.07Å; I134-L184 HydrophobicContact CG2-CB 3.96Å; I134-L184 HydrophobicContact CG2-CD1 3.69Å; I134-L184 HydrophobicContact CG2-CG 4.47Å; P181-L184 WeakPolarHBondContact O-CB 3.37Å; P181-L184 PolarHBondContact O-N 2.9Å; E182-L184 VanDerWaalsContact C-N 3.29Å; E182-L184 PolarHBondContact O-N 3.17Å; L184-L186 PolarHBondContact O-N 2.98Å; L184-L186 VanDerWaalsContact O-N 3.12Å; L184-L187 HydrophobicContact CB-CD1 4.41Å; L184-L187 HydrophobicContact CD1-CD1 4.39Å; L184-L187 HydrophobicContact CG-CD1 4.15Å; L184-L187 WeakPolarHBondContact O-CG 3.46Å; L184-L187 PolarHBondContact O-N 3.41Å; L184-V399 HydrophobicContact CD2-CG1 4.4Å; L184-V399 HydrophobicContact CD2-CG2 3.78Å
185	T	98.8	Very high	97.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.7	-26.1	176.5	74.9	0	0	0	0	113.7	P181 E182 F183 S189 G190 F221 V365 K397	P181-T185 WeakPolarHBondContact O-CG2 3.3Å; P181-T185 PolarHBondContact O-N 2.8Å; E182-T185 WeakPolarHBondContact O-CB 3.22Å; E182-T185 PolarHBondContact O-N 3.24Å; E182-T185 PolarHBondContact O-OG1 3.24Å; F183-T185 VanDerWaalsContact C-N 3.26Å; F183-T185 PolarHBondContact O-N 3.46Å; T185-S189 WeakPolarHBondContact O-CB 3.45Å; T185-G190 PolarHBondContact O-N 3.33Å; T185-F221 WeakPolarHBondContact O-CE2 3.45Å; T185-F221 WeakPolarHBondContact OG1-CZ 3.29Å; T185-V365 HydrophobicContact CG2-CG2 3.54Å; T185-K397 HydrophobicContact CG2-CB 3.71Å; T185-K397 HydrophobicContact CG2-CG 3.94Å
186	L	98.6	Very high	97.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.129	C	C	.	.	I	π-helix	trans	-77.1	-25.2	-177.5	-56.2	-178	0	0	0	112.9	F183 L184 A191 F221 L349 M352 M353 L361	F183-L186 WeakPolarHBondContact O-CB 3.23Å; F183-L186 PolarHBondContact O-N 2.83Å; L184-L186 PolarHBondContact O-N 2.98Å; L184-L186 VanDerWaalsContact O-N 3.12Å; L186-A191 PolarHBondContact O-N 2.93Å; L186-F221 HydrophobicContact CD2-CE1 3.91Å; L186-F221 HydrophobicContact CD2-CZ 3.99Å; L186-L349 HydrophobicContact CB-CD2 4.19Å; L186-M352 HydrophobicContact CB-CE 4.29Å; L186-M352 HydrophobicContact CD1-CB 4.23Å; L186-M352 HydrophobicContact CD2-CB 4.11Å; L186-M352 HydrophobicContact CD2-SD 4.34Å; L186-M352 WeakPolarHBondContact O-CE 3.35Å; L186-M353 HydrophobicContact CD1-CG 4.01Å; L186-L361 HydrophobicContact CD2-CD2 3.96Å
187	L	98.1	Very high	97.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.127	C	C	.	.	I	π-helix	trans	-66.3	-55.8	-167.3	-53.8	175.3	0	0	0	112.2	E132 A155 I174 L184 A191 Y345 L349	E132-L187 HydrophobicContact CB-CD1 4.17Å; E132-L187 WeakPolarHBondContact OE2-CB 3.33Å; A155-L187 HydrophobicContact CB-CD1 3.81Å; A155-L187 HydrophobicContact CB-CD2 3.78Å; A155-L187 HydrophobicContact CB-CG 4.34Å; I174-L187 HydrophobicContact CD1-CD2 3.58Å; L184-L187 HydrophobicContact CB-CD1 4.41Å; L184-L187 HydrophobicContact CD1-CD1 4.39Å; L184-L187 HydrophobicContact CG-CD1 4.15Å; L184-L187 WeakPolarHBondContact O-CG 3.46Å; L184-L187 PolarHBondContact O-N 3.41Å; L187-A191 VanDerWaalsContact O-CB 3.27Å; L187-A191 WeakPolarHBondContact O-CB 3.27Å; L187-Y345 WeakPolarHBondContact CA-OH 3.4Å; L187-Y345 WeakPolarHBondContact O-CE2 3.39Å; L187-Y345 PolarHBondContact O-OH 2.91Å; L187-L349 HydrophobicContact CD2-CD2 4.31Å
188	V	98.5	Very high	98	Very high	19 Å²	19	22 Å²	22	12%	0.115	11%	0.113	C	C	.	.	I	π-helix	trans	-102.2	-49.6	177	178.6	0	0	0	0	110.8	E132 F157 T192	E132-V188 HydrophobicContact CB-CG2 4.17Å; E132-V188 HydrophobicContact CG-CG2 4.41Å; E132-V188 WeakPolarHBondContact OE2-CB 3.23Å; E132-V188 WeakPolarHBondContact OE2-CG2 3.22Å; E132-V188 PolarHBondContact OE2-N 3.23Å; F157-V188 HydrophobicContact CB-CG2 4.32Å; F157-V188 HydrophobicContact CD2-CG2 3.16Å; F157-V188 HydrophobicContact CE2-CG2 3.5Å; F157-V188 HydrophobicContact CG-CG2 3.77Å; F157-V188 HydrophobicContact CZ-CG2 4.33Å; V188-T192 WeakPolarHBondContact O-CB 3.35Å; V188-T192 PolarHBondContact O-N 3.5Å; V188-T192 PolarHBondContact O-OG1 3.1Å
189	S	98.9	Very high	98.2	Very high	8 Å²	8	25.8 Å²	25.8	6%	0.056	12%	0.121	C	C	.	.	I	π-helix	trans	-73.3	-47.9	-168.9	-66.7	0	0	0	0	112.7	T185 A193 G217 T218	T185-S189 WeakPolarHBondContact O-CB 3.45Å; S189-A193 PolarHBondContact O-N 2.8Å; S189-G217 WeakPolarHBondContact CB-O 3.39Å; S189-T218 WeakPolarHBondContact O-CB 3.46Å; S189-T218 PolarHBondContact O-OG1 2.92Å
190	G	98.8	Very high	98.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.116	C	C	.	.	I	π-helix	trans	-63.9	-50.3	174.1	0	0	0	0	0	112.1	T185 T192 A193 Y194 F221	T185-G190 PolarHBondContact O-N 3.33Å; G190-T192 VanDerWaalsContact C-N 3.34Å; G190-T192 PolarHBondContact O-N 2.99Å; G190-A193 PolarHBondContact O-N 2.88Å; G190-A193 VanDerWaalsContact O-N 3.15Å; G190-Y194 WeakPolarHBondContact O-CB 3.35Å; G190-Y194 PolarHBondContact O-N 3.33Å; G190-F221 VanDerWaalsContact CA-CD2 3.45Å
191	A	98.7	Very high	98.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.4	-41	-178.4	0	0	0	0	0	112.7	L186 L187 I195 L338 Y345 M352	L186-A191 PolarHBondContact O-N 2.93Å; L187-A191 VanDerWaalsContact O-CB 3.27Å; L187-A191 WeakPolarHBondContact O-CB 3.27Å; A191-I195 HydrophobicContact CB-CD1 4.44Å; A191-I195 WeakPolarHBondContact O-CB 3.43Å; A191-I195 VanDerWaalsContact O-CG1 3.23Å; A191-I195 WeakPolarHBondContact O-CG1 3.47Å; A191-I195 PolarHBondContact O-N 3.13Å; A191-L338 HydrophobicContact CB-CD1 4.29Å; A191-Y345 HydrophobicContact CB-CD2 3.85Å; A191-Y345 HydrophobicContact CB-CE2 3.45Å; A191-Y345 VanDerWaalsContact CB-CE2 3.45Å; A191-M352 HydrophobicContact CB-CE 4.17Å
192	T	98.9	Very high	98.3	Very high	18 Å²	18	23.1 Å²	23.1	11%	0.11	11%	0.107	C	C	.	.	H	α-helix	trans	-58.1	-50.4	174.5	-62.6	0	0	0	0	110.7	V188 G190 A196 Y278 I302 F336	V188-T192 WeakPolarHBondContact O-CB 3.35Å; V188-T192 PolarHBondContact O-N 3.5Å; V188-T192 PolarHBondContact O-OG1 3.1Å; G190-T192 VanDerWaalsContact C-N 3.34Å; G190-T192 PolarHBondContact O-N 2.99Å; T192-A196 WeakPolarHBondContact O-CB 3.41Å; T192-A196 PolarHBondContact O-N 2.89Å; T192-Y278 WeakPolarHBondContact CG2-OH 3.41Å; T192-I302 HydrophobicContact CG2-CD1 4.49Å; T192-I302 HydrophobicContact CG2-CG2 3.83Å; T192-F336 HydrophobicContact CG2-CD1 3.92Å; T192-F336 HydrophobicContact CG2-CE1 3.71Å
193	A	98.9	Very high	98.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.7	-47.3	-179	0	0	0	0	0	112.3	S189 G190 L197 F221 A222 F225 Y278	S189-A193 PolarHBondContact O-N 2.8Å; G190-A193 PolarHBondContact O-N 2.88Å; G190-A193 VanDerWaalsContact O-N 3.15Å; A193-L197 WeakPolarHBondContact O-CB 3.41Å; A193-L197 VanDerWaalsContact O-CG 3.3Å; A193-L197 WeakPolarHBondContact O-CG 3.06Å; A193-L197 PolarHBondContact O-N 2.81Å; A193-F221 HydrophobicContact CB-CB 3.64Å; A193-A222 HydrophobicContact CB-CB 4.13Å; A193-F225 HydrophobicContact CB-CD2 4.05Å; A193-F225 HydrophobicContact CB-CE2 4.06Å; A193-Y278 WeakPolarHBondContact CA-OH 3.19Å; A193-Y278 HydrophobicContact CB-CE2 4.35Å; A193-Y278 PolarHBondContact N-OH 2.85Å
194	Y	98.8	Very high	98.1	Very high	36 Å²	36	23.5 Å²	23.5	14%	0.141	12%	0.118	C	C	.	.	H	α-helix	trans	-60.4	-53	-177.9	-172.1	-85.2	0	0	0	111.2	G190 K198 F225 A348 S351 M352 M355	G190-Y194 WeakPolarHBondContact O-CB 3.35Å; G190-Y194 PolarHBondContact O-N 3.33Å; Y194-K198 HydrophobicContact CE1-CD 3.89Å; Y194-K198 WeakPolarHBondContact O-CB 3.27Å; Y194-K198 PolarHBondContact O-N 2.91Å; Y194-F225 HydrophobicContact CD2-CD1 4.31Å; Y194-F225 HydrophobicContact CD2-CD2 4.36Å; Y194-F225 AromaticContact CD2-CE1 3.97Å; Y194-F225 HydrophobicContact CD2-CE1 3.97Å; Y194-F225 HydrophobicContact CD2-CE2 4Å; Y194-F225 AromaticContact CD2-CZ 3.83Å; Y194-F225 HydrophobicContact CD2-CZ 3.83Å; Y194-F225 HydrophobicContact CG-CE2 4.32Å; Y194-A348 HydrophobicContact CD1-CB 3.45Å; Y194-A348 VanDerWaalsContact CD1-CB 3.45Å; Y194-A348 HydrophobicContact CE1-CB 3.93Å; Y194-A348 HydrophobicContact CG-CB 4.08Å; Y194-S351 WeakPolarHBondContact OH-CB 3.28Å; Y194-S351 PolarHBondContact OH-OG 3.19Å; Y194-S351 VanDerWaalsContact OH-OG 3.04Å; Y194-M352 HydrophobicContact CD2-CG 4.02Å; Y194-M352 HydrophobicContact CD2-SD 4.49Å; Y194-M352 HydrophobicContact CG-CG 4.5Å; Y194-M355 HydrophobicContact CE2-CE 4.45Å
195	I	98.8	Very high	98.2	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.015	16%	0.158	C	C	.	.	H	α-helix	trans	-71.5	-43.1	-174.2	-60	169.2	0	0	0	110.3	A191 L197 K198 R199 F336 L338 F341 D344 Y345 A348	A191-I195 HydrophobicContact CB-CD1 4.44Å; A191-I195 WeakPolarHBondContact O-CB 3.43Å; A191-I195 VanDerWaalsContact O-CG1 3.23Å; A191-I195 WeakPolarHBondContact O-CG1 3.47Å; A191-I195 PolarHBondContact O-N 3.13Å; I195-L197 PolarHBondContact O-N 2.93Å; I195-K198 PolarHBondContact O-N 2.73Å; I195-R199 HydrophobicContact CG2-CG 4.01Å; I195-R199 VanDerWaalsContact O-CB 3.28Å; I195-R199 WeakPolarHBondContact O-CB 3.45Å; I195-R199 WeakPolarHBondContact O-CG 3.47Å; I195-R199 PolarHBondContact O-N 3.08Å; I195-F336 HydrophobicContact CB-CE2 4.2Å; I195-F336 HydrophobicContact CB-CZ 4Å; I195-F336 HydrophobicContact CG2-CE2 3.79Å; I195-F336 HydrophobicContact CG2-CZ 3.98Å; I195-L338 HydrophobicContact CD1-CD1 3.83Å; I195-F341 HydrophobicContact CG2-CB 3.68Å; I195-F341 HydrophobicContact CG2-CD1 4.07Å; I195-F341 HydrophobicContact CG2-CG 3.99Å; I195-D344 HydrophobicContact CD1-CB 4.12Å; I195-D344 HydrophobicContact CG1-CB 4.17Å; I195-D344 HydrophobicContact CG2-CB 4.04Å; I195-Y345 HydrophobicContact CD1-CD2 4.37Å; I195-A348 HydrophobicContact CD1-CB 3.99Å; I195-A348 HydrophobicContact CG1-CB 3.71Å
196	A	98.8	Very high	98.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.3	-45.6	179.4	0	0	0	0	0	111.8	T192 L200 G201 Y278 I300 I302 F336	T192-A196 WeakPolarHBondContact O-CB 3.41Å; T192-A196 PolarHBondContact O-N 2.89Å; A196-L200 CarbonylContact O-C 3.49Å; A196-L200 WeakPolarHBondContact O-CA 3.39Å; A196-L200 VanDerWaalsContact O-CB 3.31Å; A196-L200 WeakPolarHBondContact O-CB 3.2Å; A196-L200 PolarHBondContact O-N 2.89Å; A196-G201 PolarHBondContact O-N 2.81Å; A196-G201 VanDerWaalsContact O-N 3.14Å; A196-Y278 HydrophobicContact CB-CE2 4.18Å; A196-I300 HydrophobicContact CB-CG2 4.39Å; A196-I302 HydrophobicContact CB-CD1 3.59Å; A196-F336 HydrophobicContact CB-CB 4.27Å; A196-F336 HydrophobicContact CB-CD1 3.93Å; A196-F336 HydrophobicContact CB-CD2 3.67Å; A196-F336 HydrophobicContact CB-CE1 4.18Å; A196-F336 HydrophobicContact CB-CE2 3.94Å; A196-F336 HydrophobicContact CB-CG 3.66Å; A196-F336 HydrophobicContact CB-CZ 4.18Å
197	L	98.7	Very high	98.1	Very high	6 Å²	6	37.1 Å²	37.1	3%	0.031	20%	0.195	C	C	.	.	I	π-helix	trans	-68.4	-40.8	177.6	-69.1	174.6	0	0	0	112	A193 I195 G201 D202 L203 A222 F225 Y278 I300	A193-L197 WeakPolarHBondContact O-CB 3.41Å; A193-L197 VanDerWaalsContact O-CG 3.3Å; A193-L197 WeakPolarHBondContact O-CG 3.06Å; A193-L197 PolarHBondContact O-N 2.81Å; I195-L197 PolarHBondContact O-N 2.93Å; L197-G201 CarbonylContact O-C 3.6Å; L197-G201 WeakPolarHBondContact O-CA 3.29Å; L197-G201 PolarHBondContact O-N 3.11Å; L197-D202 PolarHBondContact O-N 3.37Å; L197-L203 HydrophobicContact CB-CD1 4.15Å; L197-L203 HydrophobicContact CD1-CD1 4.39Å; L197-L203 HydrophobicContact CD2-CD1 4.29Å; L197-L203 HydrophobicContact CD2-CD2 4.35Å; L197-A222 HydrophobicContact CD1-CB 4.07Å; L197-F225 HydrophobicContact CD1-CB 3.93Å; L197-Y278 HydrophobicContact CD2-CD2 3.98Å; L197-Y278 HydrophobicContact CG-CD2 4.15Å; L197-Y278 HydrophobicContact CG-CE2 4.47Å; L197-I300 HydrophobicContact CD2-CD1 4.25Å
198	K	97.5	Very high	98.2	Very high	91 Å²	91	38.1 Å²	38.1	40%	0.396	20%	0.201	S	C	.	.	I	π-helix	trans	-65.1	-41.4	178.4	-175.3	179.6	179.1	-169.7	0	112.7	Y194 I195 E347	Y194-K198 HydrophobicContact CE1-CD 3.89Å; Y194-K198 WeakPolarHBondContact O-CB 3.27Å; Y194-K198 PolarHBondContact O-N 2.91Å; I195-K198 PolarHBondContact O-N 2.73Å; K198-E347 IonicContact NZ-OE1 3.87Å; K198-E347 PolarHBondContact NZ-OE1 2.92Å; K198-E347 IonicContact NZ-OE2 2.81Å; K198-E347 PolarHBondContact NZ-OE2 2.75Å
199	R	97.7	Very high	98.2	Very high	115 Å²	115	37.2 Å²	37.2	43%	0.434	20%	0.196	S	C	.	.	I	π-helix	trans	-93	-33.5	-173	-68.4	-62.1	-168.1	-175.2	-0.8	114.4	I195 F341 D344	I195-R199 HydrophobicContact CG2-CG 4.01Å; I195-R199 VanDerWaalsContact O-CB 3.28Å; I195-R199 WeakPolarHBondContact O-CB 3.45Å; I195-R199 WeakPolarHBondContact O-CG 3.47Å; I195-R199 PolarHBondContact O-N 3.08Å; R199-F341 HydrophobicContact CB-CD1 4.49Å; R199-F341 HydrophobicContact CB-CE1 4.07Å; R199-F341 HydrophobicContact CG-CD1 4.11Å; R199-F341 HydrophobicContact CG-CE1 4.14Å; R199-D344 IonicContact CZ-OD1 3.54Å; R199-D344 IonicContact CZ-OD2 2.88Å; R199-D344 IonicContact NE-OD1 2.65Å; R199-D344 PolarHBondContact NE-OD1 3.41Å; R199-D344 IonicContact NE-OD2 2.79Å; R199-D344 PolarHBondContact NE-OD2 2.74Å; R199-D344 IonicContact NH2-OD1 3.5Å; R199-D344 PolarHBondContact NH2-OD1 2.84Å; R199-D344 IonicContact NH2-OD2 2.85Å
200	L	98.5	Very high	98.2	Very high	29 Å²	29	37 Å²	37	15%	0.152	19%	0.194	C	C	.	.	I	π-helix	trans	-122.2	-15.1	-171.6	-53.1	178.8	0	0	0	112.5	A196 I300 R334 F336 F341	A196-L200 CarbonylContact O-C 3.49Å; A196-L200 WeakPolarHBondContact O-CA 3.39Å; A196-L200 VanDerWaalsContact O-CB 3.31Å; A196-L200 WeakPolarHBondContact O-CB 3.2Å; A196-L200 PolarHBondContact O-N 2.89Å; L200-I300 HydrophobicContact CB-CD1 4.11Å; L200-I300 HydrophobicContact CB-CG1 4.03Å; L200-I300 HydrophobicContact CD1-CG2 4.12Å; L200-R334 HydrophobicContact CD1-CB 4.37Å; L200-R334 WeakPolarHBondContact O-CD 3.28Å; L200-R334 PolarHBondContact O-NH1 2.94Å; L200-F336 HydrophobicContact CD1-CB 3.87Å; L200-F336 HydrophobicContact CD1-CD2 3.79Å; L200-F336 HydrophobicContact CD1-CG 4.32Å; L200-F341 HydrophobicContact CD2-CZ 4.48Å
201	G	97.2	Very high	98.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	I	π-helix	trans	-83.3	-27.4	176.1	0	0	0	0	0	112.8	A196 L197 L203 R298	A196-G201 PolarHBondContact O-N 2.81Å; A196-G201 VanDerWaalsContact O-N 3.14Å; L197-G201 CarbonylContact O-C 3.6Å; L197-G201 WeakPolarHBondContact O-CA 3.29Å; L197-G201 PolarHBondContact O-N 3.11Å; G201-L203 PolarHBondContact O-N 3.48Å; G201-L203 VanDerWaalsContact O-N 3.07Å; G201-R298 PolarHBondContact O-NE 2.79Å; G201-R298 PolarHBondContact O-NH1 3.12Å; G201-R298 PolarHBondContact O-NH2 3.3Å
202	D	94.4	Very high	98.2	Very high	80 Å²	80	37 Å²	37	43%	0.428	19%	0.194	S	C	.	.			trans	28.4	55.1	-167.9	-23.1	-69.6	0	0	0	112.2	L197 A204 R298 R334	L197-D202 PolarHBondContact O-N 3.37Å; D202-A204 PolarHBondContact O-N 2.95Å; D202-R298 PolarHBondContact O-NH1 3.26Å; D202-R298 PolarHBondContact O-NH2 3.42Å; D202-R298 IonicContact OD2-NH1 3.17Å; D202-R298 PolarHBondContact OD2-NH1 3.18Å; D202-R334 IonicContact OD2-CZ 3.15Å; D202-R334 IonicContact OD2-NH1 2.67Å; D202-R334 PolarHBondContact OD2-NH1 3.49Å; D202-R334 IonicContact OD2-NH2 2.68Å
203	L	97.7	Very high	98.2	Very high	42 Å²	42	38.1 Å²	38.1	22%	0.22	21%	0.205	C	C	.	.			trans	-61.8	135.4	-170.3	-61.8	-175.7	0	0	0	111.1	L197 G201 V209 A226 A229 V276	L197-L203 HydrophobicContact CB-CD1 4.15Å; L197-L203 HydrophobicContact CD1-CD1 4.39Å; L197-L203 HydrophobicContact CD2-CD1 4.29Å; L197-L203 HydrophobicContact CD2-CD2 4.35Å; G201-L203 PolarHBondContact O-N 3.48Å; G201-L203 VanDerWaalsContact O-N 3.07Å; L203-V209 HydrophobicContact CD2-CG2 3.91Å; L203-A226 HydrophobicContact CD1-CB 4.15Å; L203-A229 HydrophobicContact CB-CB 3.85Å; L203-A229 HydrophobicContact CD1-CB 3.85Å; L203-V276 HydrophobicContact CD2-CB 4.16Å; L203-V276 HydrophobicContact CD2-CG1 4.12Å; L203-V276 HydrophobicContact CD2-CG2 3.87Å
204	A	96.7	Very high	98.2	Very high	47 Å²	47	38.1 Å²	38.1	39%	0.388	21%	0.205	S	C	.	.			trans	-119.9	149.8	171.3	0	0	0	0	0	111.4	D202 G206 E207 C231	D202-A204 PolarHBondContact O-N 2.95Å; A204-G206 PolarHBondContact O-N 3.47Å; A204-E207 HydrophobicContact CB-CG 4Å; A204-E207 PolarHBondContact N-OE2 2.83Å; A204-E207 WeakPolarHBondContact O-CB 3.46Å; A204-E207 WeakPolarHBondContact O-CG 3.39Å; A204-E207 PolarHBondContact O-N 2.94Å; A204-E207 VanDerWaalsContact O-N 3.16Å; A204-C231 PolarHBondContact O-SG 3.16Å; A204-C231 VanDerWaalsContact O-SG 3.34Å
205	K	98.4	Very high	98.2	Very high	189 Å²	189	36.5 Å²	36.5	82%	0.822	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	134.4	175.9	-178.9	179	179.3	-179	0	110.2	E207 A229	K205-E207 VanDerWaalsContact C-N 3.3Å; K205-A229 WeakPolarHBondContact CA-O 3.28Å
206	G	98	Very high	98.2	Very high	59 Å²	59	37 Å²	37	61%	0.608	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.1	-9.7	-179.9	0	0	0	0	0	115	A204 G230	A204-G206 PolarHBondContact O-N 3.47Å; G206-G230 PolarHBondContact N-O 2.6Å
207	E	98.6	Very high	98.2	Very high	37 Å²	37	37.6 Å²	37.6	17%	0.173	21%	0.211	C	C	.	.			trans	-65.9	151.2	173.4	-71.1	-168.6	130	0	0	111.9	A204 K205 C231 H232 D275 R298	A204-E207 HydrophobicContact CB-CG 4Å; A204-E207 PolarHBondContact N-OE2 2.83Å; A204-E207 WeakPolarHBondContact O-CB 3.46Å; A204-E207 WeakPolarHBondContact O-CG 3.39Å; A204-E207 PolarHBondContact O-N 2.94Å; A204-E207 VanDerWaalsContact O-N 3.16Å; K205-E207 VanDerWaalsContact C-N 3.3Å; E207-C231 CarbonylContact O-C 3.52Å; E207-C231 VanDerWaalsContact O-CA 3.27Å; E207-C231 WeakPolarHBondContact O-CA 3.04Å; E207-C231 VanDerWaalsContact O-CB 3.22Å; E207-C231 WeakPolarHBondContact O-CB 3.45Å; E207-H232 PolarHBondContact O-N 3.18Å; E207-D275 WeakPolarHBondContact CA-OD2 3.43Å; E207-D275 HydrophobicContact CB-CB 3.91Å; E207-D275 HydrophobicContact CG-CB 4.04Å; E207-R298 IonicContact OE1-CZ 2.6Å; E207-R298 IonicContact OE1-NH2 2.8Å; E207-R298 PolarHBondContact OE1-NH2 3.37Å; E207-R298 IonicContact OE2-NH2 3.61Å; E207-R298 PolarHBondContact OE2-NH2 3.23Å
208	T	98.9	Very high	98.2	Very high	22 Å²	22	38.6 Å²	38.6	14%	0.135	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	121.4	173.5	-60.2	0	0	0	0	110.7	H232 I234 Y270 V274 D275 V276	T208-H232 CarbonylContact C-O 3.54Å; T208-H232 VanDerWaalsContact CA-O 3.31Å; T208-H232 WeakPolarHBondContact CA-O 3.34Å; T208-I234 HydrophobicContact CG2-CD1 3.73Å; T208-I234 HydrophobicContact CG2-CG1 4.13Å; T208-Y270 HydrophobicContact CG2-CD1 3.95Å; T208-Y270 HydrophobicContact CG2-CE1 3.99Å; T208-V274 HydrophobicContact CG2-CB 4.1Å; T208-V274 HydrophobicContact CG2-CG1 3.75Å; T208-D275 PolarHBondContact N-OD2 3.05Å; T208-D275 PolarHBondContact O-N 3.49Å; T208-V276 PolarHBondContact O-N 2.72Å; T208-V276 VanDerWaalsContact O-N 3.16Å
209	V	98.9	Very high	98.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.4	-179.2	-175.1	0	0	0	0	110	L203 V211 A226 C231 H232 V233 I234 V276	L203-V209 HydrophobicContact CD2-CG2 3.91Å; V209-V211 HydrophobicContact CG1-CG2 4.15Å; V209-A226 HydrophobicContact CB-CB 4.11Å; V209-A226 HydrophobicContact CG1-CB 4.06Å; V209-A226 HydrophobicContact CG2-CB 4.04Å; V209-C231 HydrophobicContact CG2-CB 3.67Å; V209-H232 PolarHBondContact N-O 2.81Å; V209-V233 HydrophobicContact CB-CG2 4.39Å; V209-V233 WeakPolarHBondContact O-CA 3.49Å; V209-I234 PolarHBondContact O-N 3.39Å; V209-V276 CarbonylContact C-O 3.54Å; V209-V276 VanDerWaalsContact CA-O 3.31Å; V209-V276 WeakPolarHBondContact CA-O 3.1Å; V209-V276 HydrophobicContact CG1-CB 4.32Å; V209-V276 HydrophobicContact CG1-CG1 4.45Å; V209-V276 HydrophobicContact CG2-CB 4.18Å
210	L	98.9	Very high	98.3	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	121.4	170.4	174.6	63.5	0	0	0	110.1	T212 I234 T236 L266 V274 V276 V277 Y278	L210-T212 HydrophobicContact CG-CG2 4.5Å; L210-I234 CarbonylContact C-O 3.28Å; L210-I234 WeakPolarHBondContact CA-O 3.05Å; L210-I234 HydrophobicContact CD1-CB 3.89Å; L210-I234 HydrophobicContact CD1-CG2 3.73Å; L210-T236 HydrophobicContact CD1-CG2 3.84Å; L210-L266 HydrophobicContact CD2-CD1 4.14Å; L210-V274 HydrophobicContact CB-CB 4.44Å; L210-V274 HydrophobicContact CB-CG1 4.38Å; L210-V274 HydrophobicContact CB-CG2 4.07Å; L210-V276 PolarHBondContact N-O 3.13Å; L210-V277 HydrophobicContact CB-CG1 4.39Å; L210-V277 HydrophobicContact CB-CG2 4.26Å; L210-V277 HydrophobicContact CD2-CG1 4.24Å; L210-V277 HydrophobicContact CD2-CG2 4.4Å; L210-V277 HydrophobicContact CG-CG1 4.33Å; L210-V277 CarbonylContact O-C 3.54Å; L210-V277 VanDerWaalsContact O-CA 3.3Å; L210-V277 WeakPolarHBondContact O-CA 3.21Å; L210-Y278 PolarHBondContact O-N 3.48Å
211	V	98.9	Very high	98.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122.6	173.7	-173.8	0	0	0	0	109	V209 A214 A222 V223 V233 I234 T236 Y278	V209-V211 HydrophobicContact CG1-CG2 4.15Å; V211-A214 HydrophobicContact CB-CB 3.99Å; V211-A214 HydrophobicContact CG1-CB 3.83Å; V211-A222 HydrophobicContact CG1-CB 3.89Å; V211-A222 HydrophobicContact CG2-CB 4.2Å; V211-V223 HydrophobicContact CB-CG2 4.09Å; V211-V223 HydrophobicContact CG1-CG2 4.2Å; V211-V223 HydrophobicContact CG2-CG2 4.04Å; V211-V233 HydrophobicContact CG2-CG1 4.15Å; V211-I234 PolarHBondContact N-O 3.21Å; V211-T236 PolarHBondContact O-N 3.37Å; V211-Y278 HydrophobicContact CG1-CD1 4.04Å; V211-Y278 HydrophobicContact CG1-CG 4.49Å
212	T	98.9	Very high	98.4	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	151.4	172.5	72.8	0	0	0	0	110.9	L210 A214 T236 Y278 E279 S280 V285	L210-T212 HydrophobicContact CG-CG2 4.5Å; T212-A214 PolarHBondContact O-N 3.34Å; T212-T236 WeakPolarHBondContact CA-OG1 3.4Å; T212-Y278 PolarHBondContact N-O 3.03Å; T212-Y278 PolarHBondContact OG1-O 3.48Å; T212-E279 HydrophobicContact CG2-CG 4.38Å; T212-E279 WeakPolarHBondContact OG1-CA 3.3Å; T212-E279 PolarHBondContact OG1-OE1 3.49Å; T212-S280 PolarHBondContact OG1-N 3.05Å; T212-V285 HydrophobicContact CG2-CG1 3.72Å
213	A	98.6	Very high	98.6	Very high	41 Å²	41	23.7 Å²	23.7	34%	0.339	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	39.6	-168.5	0	0	0	0	0	112.2	A215 G216 V281	A213-A215 VanDerWaalsContact C-N 3.28Å; A213-A215 PolarHBondContact O-N 3.46Å; A213-G216 PolarHBondContact O-N 2.9Å; A213-V281 HydrophobicContact CB-CG2 4.12Å
214	A	98.9	Very high	98.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-27.9	-164.2	0	0	0	0	0	113.9	V211 T212 G216 G219 Q220 V223 T236 L246	V211-A214 HydrophobicContact CB-CB 3.99Å; V211-A214 HydrophobicContact CG1-CB 3.83Å; T212-A214 PolarHBondContact O-N 3.34Å; A214-G216 VanDerWaalsContact C-N 3.3Å; A214-G219 CarbonylContact O-C 3.59Å; A214-Q220 WeakPolarHBondContact O-CA 3.3Å; A214-Q220 PolarHBondContact O-N 3.44Å; A214-V223 HydrophobicContact CB-CG2 3.95Å; A214-T236 PolarHBondContact N-O 2.97Å; A214-L246 HydrophobicContact CB-CD1 3.96Å; A214-L246 HydrophobicContact CB-CD2 3.73Å; A214-L246 WeakPolarHBondContact O-CD2 3.39Å
215	A	98.8	Very high	98.8	Very high	2 Å²	2	20.8 Å²	20.8	2%	0.017	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	5.6	177.3	0	0	0	0	0	113.2	A213 C237 K242 F245 L246 G396	A213-A215 VanDerWaalsContact C-N 3.28Å; A213-A215 PolarHBondContact O-N 3.46Å; A215-C237 HydrophobicContact CB-CB 4.16Å; A215-K242 HydrophobicContact CB-CB 3.65Å; A215-K242 HydrophobicContact CB-CD 4.17Å; A215-K242 HydrophobicContact CB-CG 3.85Å; A215-F245 HydrophobicContact CB-CD1 4.14Å; A215-L246 HydrophobicContact CB-CD1 4.45Å; A215-L246 HydrophobicContact CB-CD2 4.28Å; A215-L246 HydrophobicContact CB-CG 4.15Å; A215-G396 PolarHBondContact O-N 3.05Å
216	G	98.7	Very high	98.8	Very high	13 Å²	13	11.8 Å²	11.8	13%	0.134	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-90.5	-176.5	178.7	0	0	0	0	0	113.3	A213 A214 T218 G219 Q220 G396	A213-G216 PolarHBondContact O-N 2.9Å; A214-G216 VanDerWaalsContact C-N 3.3Å; G216-T218 PolarHBondContact O-N 3.04Å; G216-G219 PolarHBondContact O-N 3.24Å; G216-Q220 WeakPolarHBondContact O-CG 3.4Å; G216-Q220 PolarHBondContact O-N 3.33Å; G216-G396 CarbonylContact C-O 2.96Å
217	G	98.7	Very high	98.8	Very high	12 Å²	12	11.7 Å²	11.7	12%	0.124	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-50.5	-172.3	0	0	0	0	0	115.4	S189 Q220 F221 G396	S189-G217 WeakPolarHBondContact CB-O 3.39Å; G217-Q220 VanDerWaalsContact O-CG 3.31Å; G217-Q220 WeakPolarHBondContact O-CG 3.38Å; G217-Q220 PolarHBondContact O-NE2 3.23Å; G217-F221 WeakPolarHBondContact O-CD2 3.44Å; G217-F221 WeakPolarHBondContact O-CE2 3.29Å; G217-G396 PolarHBondContact N-O 3.2Å; G217-G396 VanDerWaalsContact N-O 3.1Å
218	T	98.9	Very high	98.8	Very high	28 Å²	28	14.9 Å²	14.9	17%	0.172	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-30.9	177.4	-170.7	0	0	0	0	113.1	S189 G216 Q220 F221 A222 Y278	S189-T218 WeakPolarHBondContact O-CB 3.46Å; S189-T218 PolarHBondContact O-OG1 2.92Å; G216-T218 PolarHBondContact O-N 3.04Å; T218-Q220 VanDerWaalsContact C-N 3.31Å; T218-Q220 PolarHBondContact O-N 2.86Å; T218-F221 PolarHBondContact O-N 3.01Å; T218-A222 PolarHBondContact O-N 3.2Å; T218-Y278 HydrophobicContact CG2-CE1 4.09Å; T218-Y278 PolarHBondContact OG1-OH 3.29Å
219	G	98.9	Very high	98.8	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	-60.8	-37.9	-179.2	0	0	0	0	0	112.9	A214 G216 F221 A222 V223	A214-G219 CarbonylContact O-C 3.59Å; G216-G219 PolarHBondContact O-N 3.24Å; G219-F221 PolarHBondContact O-N 2.81Å; G219-A222 PolarHBondContact O-N 3.19Å; G219-A222 VanDerWaalsContact O-N 3.16Å; G219-V223 WeakPolarHBondContact O-CG2 3.44Å; G219-V223 PolarHBondContact O-N 3.16Å
220	Q	98.9	Very high	98.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60	-33.9	179.1	64.8	174	-44.8	0	0	112.3	A214 G216 G217 T218 Q224 F245 I249 E364	A214-Q220 WeakPolarHBondContact O-CA 3.3Å; A214-Q220 PolarHBondContact O-N 3.44Å; G216-Q220 WeakPolarHBondContact O-CG 3.4Å; G216-Q220 PolarHBondContact O-N 3.33Å; G217-Q220 VanDerWaalsContact O-CG 3.31Å; G217-Q220 WeakPolarHBondContact O-CG 3.38Å; G217-Q220 PolarHBondContact O-NE2 3.23Å; T218-Q220 VanDerWaalsContact C-N 3.31Å; T218-Q220 PolarHBondContact O-N 2.86Å; Q220-Q224 WeakPolarHBondContact O-CG 3.49Å; Q220-Q224 PolarHBondContact O-N 2.97Å; Q220-Q224 PolarHBondContact O-NE2 3.07Å; Q220-F245 HydrophobicContact CB-CE1 3.94Å; Q220-F245 HydrophobicContact CB-CZ 4.01Å; Q220-I249 HydrophobicContact CB-CD1 4.29Å; Q220-E364 PolarHBondContact NE2-O 3.04Å
221	F	98.9	Very high	98.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-78.2	-40.8	178.3	-66	-62.7	0	0	0	110.8	T185 L186 G190 A193 G217 T218 G219 V223 Q224 F225 L361 C363	T185-F221 WeakPolarHBondContact O-CE2 3.45Å; T185-F221 WeakPolarHBondContact OG1-CZ 3.29Å; L186-F221 HydrophobicContact CD2-CE1 3.91Å; L186-F221 HydrophobicContact CD2-CZ 3.99Å; G190-F221 VanDerWaalsContact CA-CD2 3.45Å; A193-F221 HydrophobicContact CB-CB 3.64Å; G217-F221 WeakPolarHBondContact O-CD2 3.44Å; G217-F221 WeakPolarHBondContact O-CE2 3.29Å; T218-F221 PolarHBondContact O-N 3.01Å; G219-F221 PolarHBondContact O-N 2.81Å; F221-V223 VanDerWaalsContact C-N 3.26Å; F221-V223 PolarHBondContact O-N 3.46Å; F221-Q224 PolarHBondContact O-N 3.06Å; F221-Q224 VanDerWaalsContact O-N 3.16Å; F221-F225 HydrophobicContact CB-CD2 4.18Å; F221-F225 HydrophobicContact CB-CE2 3.69Å; F221-F225 HydrophobicContact CB-CZ 4.24Å; F221-F225 HydrophobicContact CD1-CZ 4.36Å; F221-F225 HydrophobicContact CG-CE2 4.48Å; F221-F225 WeakPolarHBondContact O-CB 3.14Å; F221-F225 WeakPolarHBondContact O-CD2 3.44Å; F221-F225 VanDerWaalsContact O-CG 3.29Å; F221-F225 WeakPolarHBondContact O-CG 3.47Å; F221-F225 PolarHBondContact O-N 3.19Å; F221-L361 HydrophobicContact CD1-CD1 4.08Å; F221-L361 HydrophobicContact CD1-CD2 4.12Å; F221-L361 HydrophobicContact CD1-CG 4.21Å; F221-L361 HydrophobicContact CE1-CD1 4.47Å; F221-L361 HydrophobicContact CE1-CD2 3.98Å; F221-L361 HydrophobicContact CE1-CG 4.11Å; F221-C363 HydrophobicContact CZ-CB 4.38Å
222	A	98.9	Very high	98.8	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.8	-40.1	176.8	0	0	0	0	0	111.9	A193 L197 V211 T218 G219 A226 Y278	A193-A222 HydrophobicContact CB-CB 4.13Å; L197-A222 HydrophobicContact CD1-CB 4.07Å; V211-A222 HydrophobicContact CG1-CB 3.89Å; V211-A222 HydrophobicContact CG2-CB 4.2Å; T218-A222 PolarHBondContact O-N 3.2Å; G219-A222 PolarHBondContact O-N 3.19Å; G219-A222 VanDerWaalsContact O-N 3.16Å; A222-A226 VanDerWaalsContact O-CB 3.27Å; A222-A226 WeakPolarHBondContact O-CB 3.48Å; A222-A226 PolarHBondContact O-N 2.81Å; A222-Y278 HydrophobicContact CB-CD1 3.77Å; A222-Y278 HydrophobicContact CB-CD2 3.88Å; A222-Y278 HydrophobicContact CB-CE1 3.9Å; A222-Y278 HydrophobicContact CB-CE2 4Å; A222-Y278 HydrophobicContact CB-CG 3.75Å
223	V	98.9	Very high	98.8	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.3	-54.2	172.9	170	0	0	0	0	110.9	V211 A214 G219 F221 F225 A226 K227 V233 L246 I249 C251	V211-V223 HydrophobicContact CB-CG2 4.09Å; V211-V223 HydrophobicContact CG1-CG2 4.2Å; V211-V223 HydrophobicContact CG2-CG2 4.04Å; A214-V223 HydrophobicContact CB-CG2 3.95Å; G219-V223 WeakPolarHBondContact O-CG2 3.44Å; G219-V223 PolarHBondContact O-N 3.16Å; F221-V223 VanDerWaalsContact C-N 3.26Å; F221-V223 PolarHBondContact O-N 3.46Å; V223-F225 PolarHBondContact O-N 3.05Å; V223-A226 PolarHBondContact O-N 3.28Å; V223-K227 WeakPolarHBondContact O-CG 3.49Å; V223-K227 PolarHBondContact O-N 2.75Å; V223-V233 HydrophobicContact CB-CG1 4.29Å; V223-V233 HydrophobicContact CG1-CG1 4.06Å; V223-V233 HydrophobicContact CG2-CG1 4.05Å; V223-L246 HydrophobicContact CG2-CD2 4.07Å; V223-I249 HydrophobicContact CB-CD1 4Å; V223-I249 HydrophobicContact CG1-CD1 3.78Å; V223-I249 HydrophobicContact CG1-CG1 3.92Å; V223-C251 HydrophobicContact CG1-CB 3.91Å
224	Q	98.9	Very high	98.8	Very high	12 Å²	12	18 Å²	18	6%	0.056	10%	0.103	C	C	.	.	H	α-helix	trans	-64.2	-41.6	-175.7	-70.6	176.7	85	0	0	112.9	Q220 F221 K227 R228 I249 L361 V362	Q220-Q224 WeakPolarHBondContact O-CG 3.49Å; Q220-Q224 PolarHBondContact O-N 2.97Å; Q220-Q224 PolarHBondContact O-NE2 3.07Å; F221-Q224 PolarHBondContact O-N 3.06Å; F221-Q224 VanDerWaalsContact O-N 3.16Å; Q224-K227 PolarHBondContact O-N 3.41Å; Q224-R228 WeakPolarHBondContact O-CB 3.17Å; Q224-R228 WeakPolarHBondContact O-CG 3.45Å; Q224-R228 PolarHBondContact O-N 3.37Å; Q224-I249 HydrophobicContact CG-CB 3.93Å; Q224-I249 HydrophobicContact CG-CD1 4.26Å; Q224-L361 HydrophobicContact CB-CD1 4.12Å; Q224-V362 PolarHBondContact NE2-O 2.98Å
225	F	98.9	Very high	98.8	Very high	17 Å²	17	18 Å²	18	8%	0.075	10%	0.103	C	C	.	.	H	α-helix	trans	-67.4	-39.3	177.3	-61.7	-35.8	0	0	0	112.2	A193 Y194 L197 F221 V223 R228 A229 M352 M355 L361	A193-F225 HydrophobicContact CB-CD2 4.05Å; A193-F225 HydrophobicContact CB-CE2 4.06Å; Y194-F225 HydrophobicContact CD2-CD1 4.31Å; Y194-F225 HydrophobicContact CD2-CD2 4.36Å; Y194-F225 AromaticContact CD2-CE1 3.97Å; Y194-F225 HydrophobicContact CD2-CE1 3.97Å; Y194-F225 HydrophobicContact CD2-CE2 4Å; Y194-F225 AromaticContact CD2-CZ 3.83Å; Y194-F225 HydrophobicContact CD2-CZ 3.83Å; Y194-F225 HydrophobicContact CG-CE2 4.32Å; L197-F225 HydrophobicContact CD1-CB 3.93Å; F221-F225 HydrophobicContact CB-CD2 4.18Å; F221-F225 HydrophobicContact CB-CE2 3.69Å; F221-F225 HydrophobicContact CB-CZ 4.24Å; F221-F225 HydrophobicContact CD1-CZ 4.36Å; F221-F225 HydrophobicContact CG-CE2 4.48Å; F221-F225 WeakPolarHBondContact O-CB 3.14Å; F221-F225 WeakPolarHBondContact O-CD2 3.44Å; F221-F225 VanDerWaalsContact O-CG 3.29Å; F221-F225 WeakPolarHBondContact O-CG 3.47Å; F221-F225 PolarHBondContact O-N 3.19Å; V223-F225 PolarHBondContact O-N 3.05Å; F225-R228 PolarHBondContact O-N 3.33Å; F225-A229 PolarHBondContact O-N 3.04Å; F225-M352 HydrophobicContact CE1-CG 4.37Å; F225-M352 HydrophobicContact CE2-SD 4.17Å; F225-M352 HydrophobicContact CZ-CG 3.78Å; F225-M352 HydrophobicContact CZ-SD 3.69Å; F225-M355 HydrophobicContact CE1-SD 4.19Å; F225-L361 HydrophobicContact CD1-CD1 4.38Å; F225-L361 HydrophobicContact CE1-CD1 3.65Å; F225-L361 HydrophobicContact CE1-CD2 4.29Å; F225-L361 HydrophobicContact CZ-CD1 4.14Å; F225-L361 HydrophobicContact CZ-CD2 4.29Å
226	A	98.9	Very high	98.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.7	-40.8	173.1	0	0	0	0	0	112.1	L203 V209 A222 V223 R228 A229 G230 C231 V233	L203-A226 HydrophobicContact CD1-CB 4.15Å; V209-A226 HydrophobicContact CB-CB 4.11Å; V209-A226 HydrophobicContact CG1-CB 4.06Å; V209-A226 HydrophobicContact CG2-CB 4.04Å; A222-A226 VanDerWaalsContact O-CB 3.27Å; A222-A226 WeakPolarHBondContact O-CB 3.48Å; A222-A226 PolarHBondContact O-N 2.81Å; V223-A226 PolarHBondContact O-N 3.28Å; A226-R228 PolarHBondContact O-N 3.42Å; A226-A229 PolarHBondContact O-N 3.36Å; A226-G230 PolarHBondContact O-N 3Å; A226-C231 HydrophobicContact CB-CB 4.38Å; A226-C231 VanDerWaalsContact O-CB 3.23Å; A226-C231 WeakPolarHBondContact O-CB 3.35Å; A226-C231 PolarHBondContact O-N 2.8Å; A226-C231 VanDerWaalsContact O-N 3.09Å; A226-V233 HydrophobicContact CB-CG2 3.51Å
227	K	98.8	Very high	98.8	Very high	57 Å²	57	17.8 Å²	17.8	25%	0.248	10%	0.099	C	C	.	.	H	α-helix	trans	-61.7	-42.6	173.5	-72.6	-51.9	-57.7	173.5	0	112.6	V223 Q224 A229 G230 C231 V233 G250 D252	V223-K227 WeakPolarHBondContact O-CG 3.49Å; V223-K227 PolarHBondContact O-N 2.75Å; Q224-K227 PolarHBondContact O-N 3.41Å; K227-A229 VanDerWaalsContact C-N 3.27Å; K227-A229 PolarHBondContact O-N 3.11Å; K227-G230 WeakPolarHBondContact O-CA 3.44Å; K227-G230 PolarHBondContact O-N 3.23Å; K227-C231 PolarHBondContact NZ-O 2.86Å; K227-V233 HydrophobicContact CD-CB 3.77Å; K227-V233 HydrophobicContact CD-CG2 3.45Å; K227-V233 VanDerWaalsContact CD-CG2 3.45Å; K227-V233 HydrophobicContact CG-CB 4.29Å; K227-V233 HydrophobicContact CG-CG2 3.87Å; K227-G250 WeakPolarHBondContact CD-O 3.36Å; K227-G250 WeakPolarHBondContact CE-O 3.43Å; K227-G250 WeakPolarHBondContact CG-O 3.38Å; K227-D252 WeakPolarHBondContact CD-OD2 3.47Å; K227-D252 WeakPolarHBondContact CE-OD2 3.15Å; K227-D252 IonicContact NZ-OD1 3.88Å; K227-D252 PolarHBondContact NZ-OD1 3.04Å; K227-D252 IonicContact NZ-OD2 2.64Å; K227-D252 PolarHBondContact NZ-OD2 3.46Å
228	R	98.3	Very high	98.8	Very high	104 Å²	104	18.8 Å²	18.8	39%	0.392	10%	0.104	S	C	.	.	H	α-helix	trans	-64.2	-30.2	175.4	-76.4	174.8	169.1	-102	28.9	113.4	Q224 F225 A226 G230 E360	Q224-R228 WeakPolarHBondContact O-CB 3.17Å; Q224-R228 WeakPolarHBondContact O-CG 3.45Å; Q224-R228 PolarHBondContact O-N 3.37Å; F225-R228 PolarHBondContact O-N 3.33Å; A226-R228 PolarHBondContact O-N 3.42Å; R228-G230 PolarHBondContact O-N 2.96Å; R228-E360 IonicContact CZ-OE2 3.3Å; R228-E360 PolarHBondContact NE-O 2.81Å; R228-E360 IonicContact NH1-OE2 2.9Å; R228-E360 PolarHBondContact NH1-OE2 2.87Å; R228-E360 PolarHBondContact NH2-O 3.42Å; R228-E360 IonicContact NH2-OE2 2.83Å; R228-E360 PolarHBondContact NH2-OE2 3.03Å
229	A	98.4	Very high	98.7	Very high	36 Å²	36	19 Å²	19	30%	0.298	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-1.3	171.3	0	0	0	0	0	113.2	L203 K205 F225 A226 K227	L203-A229 HydrophobicContact CB-CB 3.85Å; L203-A229 HydrophobicContact CD1-CB 3.85Å; K205-A229 WeakPolarHBondContact CA-O 3.28Å; F225-A229 PolarHBondContact O-N 3.04Å; A226-A229 PolarHBondContact O-N 3.36Å; K227-A229 VanDerWaalsContact C-N 3.27Å; K227-A229 PolarHBondContact O-N 3.11Å
230	G	98.6	Very high	98.7	Very high	32 Å²	32	23 Å²	23	33%	0.33	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	21.8	-179.1	0	0	0	0	0	113.5	G206 A226 K227 R228	G206-G230 PolarHBondContact N-O 2.6Å; A226-G230 PolarHBondContact O-N 3Å; K227-G230 WeakPolarHBondContact O-CA 3.44Å; K227-G230 PolarHBondContact O-N 3.23Å; R228-G230 PolarHBondContact O-N 2.96Å
231	C	98.9	Very high	98.7	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.02	16%	0.158	C	C	.	.			trans	-81.6	159.7	176.9	-56.3	0	0	0	0	112.2	A204 E207 V209 A226 K227 V233	A204-C231 PolarHBondContact O-SG 3.16Å; A204-C231 VanDerWaalsContact O-SG 3.34Å; E207-C231 CarbonylContact O-C 3.52Å; E207-C231 VanDerWaalsContact O-CA 3.27Å; E207-C231 WeakPolarHBondContact O-CA 3.04Å; E207-C231 VanDerWaalsContact O-CB 3.22Å; E207-C231 WeakPolarHBondContact O-CB 3.45Å; V209-C231 HydrophobicContact CG2-CB 3.67Å; A226-C231 HydrophobicContact CB-CB 4.38Å; A226-C231 VanDerWaalsContact O-CB 3.23Å; A226-C231 WeakPolarHBondContact O-CB 3.35Å; A226-C231 PolarHBondContact O-N 2.8Å; A226-C231 VanDerWaalsContact O-N 3.09Å; K227-C231 PolarHBondContact NZ-O 2.86Å; C231-V233 HydrophobicContact CB-CG2 4.37Å
232	H	98.9	Very high	98.7	Very high	62 Å²	62	30.2 Å²	30.2	29%	0.287	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	121.5	163.5	-177.2	72.9	0	0	0	109.3	E207 T208 V209 D252 Y270	E207-H232 PolarHBondContact O-N 3.18Å; T208-H232 CarbonylContact C-O 3.54Å; T208-H232 VanDerWaalsContact CA-O 3.31Å; T208-H232 WeakPolarHBondContact CA-O 3.34Å; V209-H232 PolarHBondContact N-O 2.81Å; H232-D252 WeakPolarHBondContact CA-OD2 3.37Å; H232-D252 WeakPolarHBondContact CE1-CB 3.39Å; H232-D252 VanDerWaalsContact ND1-CB 3.28Å; H232-D252 WeakPolarHBondContact ND1-CB 3.23Å; H232-D252 IonicContact ND1-OD1 3.23Å; H232-D252 IonicContact ND1-OD2 3.97Å; H232-Y270 AromaticContact CD2-CE1 3.56Å; H232-Y270 AromaticContact NE2-CE1 3.42Å; H232-Y270 WeakPolarHBondContact NE2-CE1 3.19Å; H232-Y270 AromaticContact NE2-CZ 3.63Å; H232-Y270 PolarHBondContact NE2-OH 2.91Å
233	V	98.9	Very high	98.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.8	-168.6	-179.6	0	0	0	0	111.7	V209 V211 V223 A226 K227 C231 C251 D252 K253	V209-V233 HydrophobicContact CB-CG2 4.39Å; V209-V233 WeakPolarHBondContact O-CA 3.49Å; V211-V233 HydrophobicContact CG2-CG1 4.15Å; V223-V233 HydrophobicContact CB-CG1 4.29Å; V223-V233 HydrophobicContact CG1-CG1 4.06Å; V223-V233 HydrophobicContact CG2-CG1 4.05Å; A226-V233 HydrophobicContact CB-CG2 3.51Å; K227-V233 HydrophobicContact CD-CB 3.77Å; K227-V233 HydrophobicContact CD-CG2 3.45Å; K227-V233 VanDerWaalsContact CD-CG2 3.45Å; K227-V233 HydrophobicContact CG-CB 4.29Å; K227-V233 HydrophobicContact CG-CG2 3.87Å; C231-V233 HydrophobicContact CB-CG2 4.37Å; V233-C251 PolarHBondContact O-SG 3.14Å; V233-D252 PolarHBondContact N-OD2 2.85Å; V233-D252 PolarHBondContact O-N 2.71Å; V233-D252 VanDerWaalsContact O-N 3.1Å; V233-K253 PolarHBondContact O-N 2.77Å
234	I	98.9	Very high	98.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	126.5	170.3	-47.4	172	0	0	0	107.9	T208 V209 L210 V211 K253 I255 L266 Y270 V274	T208-I234 HydrophobicContact CG2-CD1 3.73Å; T208-I234 HydrophobicContact CG2-CG1 4.13Å; V209-I234 PolarHBondContact O-N 3.39Å; L210-I234 CarbonylContact C-O 3.28Å; L210-I234 WeakPolarHBondContact CA-O 3.05Å; L210-I234 HydrophobicContact CD1-CB 3.89Å; L210-I234 HydrophobicContact CD1-CG2 3.73Å; V211-I234 PolarHBondContact N-O 3.21Å; I234-K253 WeakPolarHBondContact CA-O 3.42Å; I234-K253 HydrophobicContact CB-CB 4.49Å; I234-K253 HydrophobicContact CG1-CB 4.3Å; I234-K253 HydrophobicContact CG2-CB 4.29Å; I234-K253 HydrophobicContact CG2-CG 4.3Å; I234-K253 WeakPolarHBondContact CG2-O 3.1Å; I234-I255 HydrophobicContact CG2-CD1 3.53Å; I234-I255 HydrophobicContact CG2-CG1 4.11Å; I234-L266 HydrophobicContact CD1-CD2 3.9Å; I234-Y270 HydrophobicContact CD1-CD1 3.83Å; I234-Y270 HydrophobicContact CD1-CD2 3.69Å; I234-Y270 HydrophobicContact CD1-CE1 3.57Å; I234-Y270 HydrophobicContact CD1-CE2 3.44Å; I234-Y270 VanDerWaalsContact CD1-CE2 3.44Å; I234-Y270 HydrophobicContact CD1-CG 3.87Å; I234-Y270 HydrophobicContact CG1-CE1 4Å; I234-Y270 HydrophobicContact CG1-CE2 4.02Å; I234-Y270 WeakPolarHBondContact CG1-OH 3.23Å; I234-V274 HydrophobicContact CD1-CG1 3.81Å
235	G	98.9	Very high	98.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	125	179.9	0	0	0	0	0	111.7	C251 K253 P254 I255	G235-C251 PolarHBondContact N-SG 2.86Å; G235-C251 VanDerWaalsContact N-SG 3.36Å; G235-K253 PolarHBondContact N-O 2.93Å; G235-P254 CarbonylContact O-C 3.59Å; G235-P254 WeakPolarHBondContact O-CA 3.21Å; G235-I255 PolarHBondContact O-N 2.94Å
236	T	98.8	Very high	98.6	Very high	4 Å²	4	31.9 Å²	31.9	3%	0.025	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	138.6	177.2	78.3	0	0	0	0	111.9	L210 V211 T212 A214 I255 L262	L210-T236 HydrophobicContact CD1-CG2 3.84Å; V211-T236 PolarHBondContact O-N 3.37Å; T212-T236 WeakPolarHBondContact CA-OG1 3.4Å; A214-T236 PolarHBondContact N-O 2.97Å; T236-I255 WeakPolarHBondContact CA-O 3.45Å; T236-L262 HydrophobicContact CG2-CD1 3.72Å; T236-L262 HydrophobicContact CG2-CD2 3.92Å
237	C	98.7	Very high	98.6	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.034	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	170.9	179.6	63.8	0	0	0	0	112.2	A215 K242 L246 I255 N256 Y257	A215-C237 HydrophobicContact CB-CB 4.16Å; C237-K242 HydrophobicContact CB-CB 3.66Å; C237-K242 HydrophobicContact CB-CD 4.31Å; C237-L246 HydrophobicContact CB-CD1 4.03Å; C237-I255 PolarHBondContact N-O 2.99Å; C237-N256 CarbonylContact O-C 3.51Å; C237-N256 VanDerWaalsContact O-CA 3.27Å; C237-N256 WeakPolarHBondContact O-CA 3.43Å; C237-Y257 VanDerWaalsContact C-CD1 3.46Å; C237-Y257 WeakPolarHBondContact O-CD1 3.31Å; C237-Y257 VanDerWaalsContact O-CE1 3.22Å; C237-Y257 WeakPolarHBondContact O-CE1 3.38Å; C237-Y257 PolarHBondContact O-N 2.94Å
238	S	97.8	Very high	98.6	Very high	33 Å²	33	40 Å²	40	23%	0.231	23%	0.228	C	C	.	.	S	Bend	trans	-100.6	-4	-173.1	49.6	0	0	0	0	115.8	K242 N256 Y257 G392	S238-K242 PolarHBondContact OG-NZ 2.85Å; S238-N256 VanDerWaalsContact C-OD1 3.26Å; S238-N256 PolarHBondContact O-OD1 2.77Å; S238-Y257 WeakPolarHBondContact CB-OH 3.46Å; S238-G392 PolarHBondContact OG-O 3.34Å
239	S	98.3	Very high	98.6	Very high	33 Å²	33	35.8 Å²	35.8	23%	0.231	21%	0.213	C	C	.	.	S	Bend	trans	-147.7	161.3	-177	73.4	0	0	0	0	112.3	E241 K242 A243 N256	S239-E241 VanDerWaalsContact C-N 3.33Å; S239-K242 PolarHBondContact O-N 3.02Å; S239-K242 WeakPolarHBondContact OG-CB 3.49Å; S239-K242 VanDerWaalsContact OG-CG 3.27Å; S239-K242 WeakPolarHBondContact OG-CG 3.46Å; S239-K242 PolarHBondContact OG-N 2.85Å; S239-A243 PolarHBondContact O-N 3.4Å; S239-N256 WeakPolarHBondContact CA-ND2 3.15Å
240	D	98.3	Very high	98.7	Very high	86 Å²	86	35.7 Å²	35.7	46%	0.46	22%	0.215	S	C	.	.	H	α-helix	trans	-72.3	-29.7	177.3	-68.8	-11.3	0	0	0	112.2	A243 G244 N256 K259	D240-A243 CarbonylContact O-C 3.57Å; D240-A243 WeakPolarHBondContact O-CB 3.35Å; D240-A243 PolarHBondContact O-N 2.71Å; D240-G244 PolarHBondContact O-N 2.92Å; D240-N256 PolarHBondContact N-ND2 3.46Å; D240-N256 PolarHBondContact OD1-ND2 2.68Å; D240-K259 IonicContact OD1-NZ 2.79Å; D240-K259 IonicContact OD2-NZ 2.6Å; D240-K259 PolarHBondContact OD2-NZ 2.81Å
241	E	97.9	Very high	98.7	Very high	135 Å²	135	34.5 Å²	34.5	63%	0.631	20%	0.202	S	C	*	.	H	α-helix	trans	-59.8	-49.6	171.1	-178.3	-176.5	-170.9	0	0	110.8	S239 A243 G244 F245 L395	S239-E241 VanDerWaalsContact C-N 3.33Å; E241-A243 VanDerWaalsContact C-N 3.3Å; E241-A243 PolarHBondContact O-N 3.27Å; E241-G244 WeakPolarHBondContact O-CA 3.29Å; E241-G244 PolarHBondContact O-N 3.32Å; E241-F245 PolarHBondContact O-N 3.19Å; E241-L395 HydrophobicContact CG-CD1 3.95Å
242	K	98.8	Very high	98.7	Very high	15 Å²	15	37.9 Å²	37.9	7%	0.065	22%	0.219	C	C	.	.	H	α-helix	trans	-61.4	-39.1	173.9	-72	175.1	-178.3	-158.8	0	111.9	A215 C237 S238 S239 G244 F245 L246 G392 K393 N394 L395	A215-K242 HydrophobicContact CB-CB 3.65Å; A215-K242 HydrophobicContact CB-CD 4.17Å; A215-K242 HydrophobicContact CB-CG 3.85Å; C237-K242 HydrophobicContact CB-CB 3.66Å; C237-K242 HydrophobicContact CB-CD 4.31Å; S238-K242 PolarHBondContact OG-NZ 2.85Å; S239-K242 PolarHBondContact O-N 3.02Å; S239-K242 WeakPolarHBondContact OG-CB 3.49Å; S239-K242 VanDerWaalsContact OG-CG 3.27Å; S239-K242 WeakPolarHBondContact OG-CG 3.46Å; S239-K242 PolarHBondContact OG-N 2.85Å; K242-G244 VanDerWaalsContact C-N 3.3Å; K242-G244 PolarHBondContact O-N 2.67Å; K242-F245 PolarHBondContact O-N 3.12Å; K242-L246 WeakPolarHBondContact O-CB 3.28Å; K242-L246 VanDerWaalsContact O-CG 3.28Å; K242-L246 WeakPolarHBondContact O-CG 3.23Å; K242-L246 PolarHBondContact O-N 3Å; K242-G392 PolarHBondContact NZ-O 2.59Å; K242-K393 VanDerWaalsContact CE-O 3.25Å; K242-K393 WeakPolarHBondContact CE-O 3.36Å; K242-K393 PolarHBondContact NZ-O 3.32Å; K242-N394 WeakPolarHBondContact CE-O 3.24Å; K242-N394 PolarHBondContact NZ-O 2.58Å; K242-L395 HydrophobicContact CG-CD1 4.25Å; K242-L395 HydrophobicContact CG-CG 4.32Å
243	A	98.8	Very high	98.7	Very high	10 Å²	10	36.8 Å²	36.8	8%	0.083	21%	0.214	C	C	.	.	H	α-helix	trans	-63.9	-36.8	174.2	0	0	0	0	0	111.9	S239 D240 E241 L246 K247 P254	S239-A243 PolarHBondContact O-N 3.4Å; D240-A243 CarbonylContact O-C 3.57Å; D240-A243 WeakPolarHBondContact O-CB 3.35Å; D240-A243 PolarHBondContact O-N 2.71Å; E241-A243 VanDerWaalsContact C-N 3.3Å; E241-A243 PolarHBondContact O-N 3.27Å; A243-L246 PolarHBondContact O-N 3.42Å; A243-K247 WeakPolarHBondContact O-CG 3.24Å; A243-K247 PolarHBondContact O-N 3.15Å; A243-K247 VanDerWaalsContact O-N 3.13Å; A243-P254 HydrophobicContact CB-CB 3.9Å
244	G	98.8	Very high	98.6	Very high	38 Å²	38	37.7 Å²	37.7	39%	0.392	22%	0.219	S	C	.	.	H	α-helix	trans	-62.9	-48.8	173.3	0	0	0	0	0	112.1	D240 E241 K242 L246 K247 S248	D240-G244 PolarHBondContact O-N 2.92Å; E241-G244 WeakPolarHBondContact O-CA 3.29Å; E241-G244 PolarHBondContact O-N 3.32Å; K242-G244 VanDerWaalsContact C-N 3.3Å; K242-G244 PolarHBondContact O-N 2.67Å; G244-L246 VanDerWaalsContact C-N 3.35Å; G244-L246 PolarHBondContact O-N 3.17Å; G244-K247 WeakPolarHBondContact O-CB 3.45Å; G244-K247 PolarHBondContact O-N 3.26Å; G244-K247 VanDerWaalsContact O-N 3.16Å; G244-S248 PolarHBondContact O-N 3.35Å
245	F	98.8	Very high	98.6	Very high	17 Å²	17	37.7 Å²	37.7	8%	0.075	22%	0.22	C	C	.	.	H	α-helix	trans	-56.1	-47.8	173.1	168.3	-107.7	0	0	0	111.9	A215 Q220 E241 K242 K247 S248 I249 V362 E364 L395	A215-F245 HydrophobicContact CB-CD1 4.14Å; Q220-F245 HydrophobicContact CB-CE1 3.94Å; Q220-F245 HydrophobicContact CB-CZ 4.01Å; E241-F245 PolarHBondContact O-N 3.19Å; K242-F245 PolarHBondContact O-N 3.12Å; F245-K247 VanDerWaalsContact C-N 3.27Å; F245-K247 PolarHBondContact O-N 3.07Å; F245-S248 WeakPolarHBondContact O-CA 3.4Å; F245-S248 WeakPolarHBondContact O-CB 3.43Å; F245-S248 PolarHBondContact O-N 2.98Å; F245-S248 PolarHBondContact O-OG 2.86Å; F245-I249 HydrophobicContact CD1-CD1 4.49Å; F245-I249 HydrophobicContact CD2-CG2 4.37Å; F245-I249 HydrophobicContact CE1-CD1 3.86Å; F245-I249 HydrophobicContact CE2-CG2 3.79Å; F245-I249 HydrophobicContact CZ-CD1 4.03Å; F245-I249 HydrophobicContact CZ-CG2 3.95Å; F245-I249 PolarHBondContact O-N 2.83Å; F245-I249 VanDerWaalsContact O-N 3.15Å; F245-V362 HydrophobicContact CE2-CG1 4.29Å; F245-E364 HydrophobicContact CD2-CG 4.42Å; F245-E364 HydrophobicContact CE2-CB 3.74Å; F245-E364 HydrophobicContact CE2-CG 3.77Å; F245-E364 HydrophobicContact CZ-CB 3.64Å; F245-E364 HydrophobicContact CZ-CG 3.99Å; F245-L395 HydrophobicContact CB-CD1 3.91Å; F245-L395 HydrophobicContact CB-CD2 4Å; F245-L395 HydrophobicContact CB-CG 4.21Å; F245-L395 HydrophobicContact CD1-CD2 3.8Å; F245-L395 HydrophobicContact CD1-CG 4.26Å; F245-L395 HydrophobicContact CD2-CD2 3.76Å; F245-L395 HydrophobicContact CE1-CD2 4.18Å; F245-L395 HydrophobicContact CE2-CD2 4.15Å; F245-L395 HydrophobicContact CG-CD1 4.4Å; F245-L395 HydrophobicContact CG-CD2 3.57Å; F245-L395 HydrophobicContact CG-CG 4.18Å; F245-L395 HydrophobicContact CZ-CD2 4.34Å
246	L	98.9	Very high	98.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-55.6	-41.7	177	-74.6	178.3	0	0	0	112.5	A214 A215 V223 C237 K242 A243 G244 S248 I249 G250 C251 P254	A214-L246 HydrophobicContact CB-CD1 3.96Å; A214-L246 HydrophobicContact CB-CD2 3.73Å; A214-L246 WeakPolarHBondContact O-CD2 3.39Å; A215-L246 HydrophobicContact CB-CD1 4.45Å; A215-L246 HydrophobicContact CB-CD2 4.28Å; A215-L246 HydrophobicContact CB-CG 4.15Å; V223-L246 HydrophobicContact CG2-CD2 4.07Å; C237-L246 HydrophobicContact CB-CD1 4.03Å; K242-L246 WeakPolarHBondContact O-CB 3.28Å; K242-L246 VanDerWaalsContact O-CG 3.28Å; K242-L246 WeakPolarHBondContact O-CG 3.23Å; K242-L246 PolarHBondContact O-N 3Å; A243-L246 PolarHBondContact O-N 3.42Å; G244-L246 VanDerWaalsContact C-N 3.35Å; G244-L246 PolarHBondContact O-N 3.17Å; L246-S248 VanDerWaalsContact C-N 3.34Å; L246-I249 HydrophobicContact CD2-CD1 4.11Å; L246-I249 VanDerWaalsContact O-CG1 3.25Å; L246-I249 WeakPolarHBondContact O-CG1 3.35Å; L246-I249 PolarHBondContact O-N 2.66Å; L246-G250 PolarHBondContact O-N 3Å; L246-C251 HydrophobicContact CB-CB 3.87Å; L246-C251 WeakPolarHBondContact O-CB 3.34Å; L246-C251 PolarHBondContact O-N 3.06Å; L246-P254 HydrophobicContact CB-CB 4.01Å; L246-P254 HydrophobicContact CB-CG 4.14Å; L246-P254 HydrophobicContact CD1-CB 4.15Å
247	K	98.8	Very high	98.5	Very high	139 Å²	139	43.8 Å²	43.8	60%	0.604	24%	0.244	S	C	*	.	H	α-helix	trans	-62.5	-41.7	174.3	-66.2	176	-174.6	176.3	0	111.8	A243 G244 F245 I249 G250 P254	A243-K247 WeakPolarHBondContact O-CG 3.24Å; A243-K247 PolarHBondContact O-N 3.15Å; A243-K247 VanDerWaalsContact O-N 3.13Å; G244-K247 WeakPolarHBondContact O-CB 3.45Å; G244-K247 PolarHBondContact O-N 3.26Å; G244-K247 VanDerWaalsContact O-N 3.16Å; F245-K247 VanDerWaalsContact C-N 3.27Å; F245-K247 PolarHBondContact O-N 3.07Å; K247-I249 PolarHBondContact O-N 3.31Å; K247-G250 PolarHBondContact O-N 3.48Å; K247-P254 HydrophobicContact CD-CG 4.31Å; K247-P254 HydrophobicContact CG-CG 3.42Å; K247-P254 VanDerWaalsContact CG-CG 3.42Å
248	S	98.8	Very high	98.4	Very high	89 Å²	89	47.1 Å²	47.1	62%	0.622	27%	0.271	S	S	*	.	H	α-helix	trans	-62.3	-30.6	-178.8	77.8	0	0	0	0	113	G244 F245 L246 G250	G244-S248 PolarHBondContact O-N 3.35Å; F245-S248 WeakPolarHBondContact O-CA 3.4Å; F245-S248 WeakPolarHBondContact O-CB 3.43Å; F245-S248 PolarHBondContact O-N 2.98Å; F245-S248 PolarHBondContact O-OG 2.86Å; L246-S248 VanDerWaalsContact C-N 3.34Å; S248-G250 VanDerWaalsContact C-N 3.31Å
249	I	98.7	Very high	98.3	Very high	15 Å²	15	52.5 Å²	52.5	8%	0.077	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	15	175.2	66.1	170.3	0	0	0	113.3	Q220 V223 Q224 F245 L246 K247 V362	Q220-I249 HydrophobicContact CB-CD1 4.29Å; V223-I249 HydrophobicContact CB-CD1 4Å; V223-I249 HydrophobicContact CG1-CD1 3.78Å; V223-I249 HydrophobicContact CG1-CG1 3.92Å; Q224-I249 HydrophobicContact CG-CB 3.93Å; Q224-I249 HydrophobicContact CG-CD1 4.26Å; F245-I249 HydrophobicContact CD1-CD1 4.49Å; F245-I249 HydrophobicContact CD2-CG2 4.37Å; F245-I249 HydrophobicContact CE1-CD1 3.86Å; F245-I249 HydrophobicContact CE2-CG2 3.79Å; F245-I249 HydrophobicContact CZ-CD1 4.03Å; F245-I249 HydrophobicContact CZ-CG2 3.95Å; F245-I249 PolarHBondContact O-N 2.83Å; F245-I249 VanDerWaalsContact O-N 3.15Å; L246-I249 HydrophobicContact CD2-CD1 4.11Å; L246-I249 VanDerWaalsContact O-CG1 3.25Å; L246-I249 WeakPolarHBondContact O-CG1 3.35Å; L246-I249 PolarHBondContact O-N 2.66Å; K247-I249 PolarHBondContact O-N 3.31Å; I249-V362 HydrophobicContact CG2-CB 4Å; I249-V362 HydrophobicContact CG2-CG1 4.12Å; I249-V362 HydrophobicContact CG2-CG2 4.12Å
250	G	98.5	Very high	98.1	Very high	34 Å²	34	56.3 Å²	56.3	35%	0.351	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	10.5	171.4	0	0	0	0	0	116.2	K227 L246 K247 S248 D252	K227-G250 WeakPolarHBondContact CD-O 3.36Å; K227-G250 WeakPolarHBondContact CE-O 3.43Å; K227-G250 WeakPolarHBondContact CG-O 3.38Å; L246-G250 PolarHBondContact O-N 3Å; K247-G250 PolarHBondContact O-N 3.48Å; S248-G250 VanDerWaalsContact C-N 3.31Å; G250-D252 PolarHBondContact O-N 3.02Å
251	C	98.9	Very high	97.9	Very high	7 Å²	7	56.8 Å²	56.8	5%	0.047	31%	0.306	C	S	.	.			trans	-63.4	121.9	174.4	-176.9	0	0	0	0	110.9	V223 V233 G235 L246 K253 P254	V223-C251 HydrophobicContact CG1-CB 3.91Å; V233-C251 PolarHBondContact O-SG 3.14Å; G235-C251 PolarHBondContact N-SG 2.86Å; G235-C251 VanDerWaalsContact N-SG 3.36Å; L246-C251 HydrophobicContact CB-CB 3.87Å; L246-C251 WeakPolarHBondContact O-CB 3.34Å; L246-C251 PolarHBondContact O-N 3.06Å; C251-K253 VanDerWaalsContact SG-C 3.58Å; C251-P254 HydrophobicContact CB-CG 4.45Å
252	D	98.8	Very high	97.8	Very high	73 Å²	73	51.3 Å²	51.3	39%	0.39	28%	0.281	S	S	.	.	S	Bend	trans	-71.4	-37.9	-177.7	-49.4	-86.7	0	0	0	111.9	K227 H232 V233 G250	K227-D252 WeakPolarHBondContact CD-OD2 3.47Å; K227-D252 WeakPolarHBondContact CE-OD2 3.15Å; K227-D252 IonicContact NZ-OD1 3.88Å; K227-D252 PolarHBondContact NZ-OD1 3.04Å; K227-D252 IonicContact NZ-OD2 2.64Å; K227-D252 PolarHBondContact NZ-OD2 3.46Å; H232-D252 WeakPolarHBondContact CA-OD2 3.37Å; H232-D252 WeakPolarHBondContact CE1-CB 3.39Å; H232-D252 VanDerWaalsContact ND1-CB 3.28Å; H232-D252 WeakPolarHBondContact ND1-CB 3.23Å; H232-D252 IonicContact ND1-OD1 3.23Å; H232-D252 IonicContact ND1-OD2 3.97Å; V233-D252 PolarHBondContact N-OD2 2.85Å; V233-D252 PolarHBondContact O-N 2.71Å; V233-D252 VanDerWaalsContact O-N 3.1Å; G250-D252 PolarHBondContact O-N 3.02Å
253	K	98.6	Very high	97.7	Very high	40 Å²	40	51.6 Å²	51.6	17%	0.174	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	84.7	179.6	-170.6	72.4	-178	-157.1	0	112.8	V233 I234 G235 C251 I255 E269 Y270	V233-K253 PolarHBondContact O-N 2.77Å; I234-K253 WeakPolarHBondContact CA-O 3.42Å; I234-K253 HydrophobicContact CB-CB 4.49Å; I234-K253 HydrophobicContact CG1-CB 4.3Å; I234-K253 HydrophobicContact CG2-CB 4.29Å; I234-K253 HydrophobicContact CG2-CG 4.3Å; I234-K253 WeakPolarHBondContact CG2-O 3.1Å; G235-K253 PolarHBondContact N-O 2.93Å; C251-K253 VanDerWaalsContact SG-C 3.58Å; K253-I255 HydrophobicContact CG-CD1 4.3Å; K253-I255 HydrophobicContact CG-CG1 4.02Å; K253-E269 WeakPolarHBondContact CE-OE2 3.4Å; K253-E269 IonicContact NZ-OE1 2.7Å; K253-E269 PolarHBondContact NZ-OE1 3.17Å; K253-E269 IonicContact NZ-OE2 3.86Å; K253-E269 PolarHBondContact NZ-OE2 3.3Å; K253-Y270 WeakPolarHBondContact CB-OH 3.33Å; K253-Y270 HydrophobicContact CG-CE2 4.37Å; K253-Y270 WeakPolarHBondContact CG-OH 3.38Å
254	P	98.7	Very high	97.6	Very high	18 Å²	18	57.4 Å²	57.4	12%	0.117	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	132.8	164.4	-6.2	18	0	0	0	110.6	G235 A243 L246 K247 C251	G235-P254 CarbonylContact O-C 3.59Å; G235-P254 WeakPolarHBondContact O-CA 3.21Å; A243-P254 HydrophobicContact CB-CB 3.9Å; L246-P254 HydrophobicContact CB-CB 4.01Å; L246-P254 HydrophobicContact CB-CG 4.14Å; L246-P254 HydrophobicContact CD1-CB 4.15Å; K247-P254 HydrophobicContact CD-CG 4.31Å; K247-P254 HydrophobicContact CG-CG 3.42Å; K247-P254 VanDerWaalsContact CG-CG 3.42Å; C251-P254 HydrophobicContact CB-CG 4.45Å
255	I	98.6	Very high	97.5	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	108.9	176.1	-56.8	177	0	0	0	108.5	I234 G235 T236 C237 K253 Y257 K260 L262 T265	I234-I255 HydrophobicContact CG2-CD1 3.53Å; I234-I255 HydrophobicContact CG2-CG1 4.11Å; G235-I255 PolarHBondContact O-N 2.94Å; T236-I255 WeakPolarHBondContact CA-O 3.45Å; C237-I255 PolarHBondContact N-O 2.99Å; K253-I255 HydrophobicContact CG-CD1 4.3Å; K253-I255 HydrophobicContact CG-CG1 4.02Å; I255-Y257 PolarHBondContact O-N 2.99Å; I255-K260 HydrophobicContact CG2-CB 4.41Å; I255-L262 HydrophobicContact CB-CD1 4.32Å; I255-L262 HydrophobicContact CD1-CD1 3.66Å; I255-L262 HydrophobicContact CG2-CD1 3.94Å; I255-T265 HydrophobicContact CD1-CG2 3.74Å; I255-T265 HydrophobicContact CG1-CG2 4.37Å
256	N	98.4	Very high	97.5	Very high	11 Å²	11	55.6 Å²	55.6	6%	0.059	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	100.4	165.4	-179.1	-4.4	0	0	0	109.1	C237 S238 S239 D240 A258 K259 K260	C237-N256 CarbonylContact O-C 3.51Å; C237-N256 VanDerWaalsContact O-CA 3.27Å; C237-N256 WeakPolarHBondContact O-CA 3.43Å; S238-N256 VanDerWaalsContact C-OD1 3.26Å; S238-N256 PolarHBondContact O-OD1 2.77Å; S239-N256 WeakPolarHBondContact CA-ND2 3.15Å; D240-N256 PolarHBondContact N-ND2 3.46Å; D240-N256 PolarHBondContact OD1-ND2 2.68Å; N256-A258 PolarHBondContact O-N 3.04Å; N256-A258 VanDerWaalsContact OD1-CB 3.3Å; N256-A258 WeakPolarHBondContact OD1-CB 3.48Å; N256-A258 PolarHBondContact OD1-N 2.76Å; N256-K259 PolarHBondContact O-N 2.82Å; N256-K259 VanDerWaalsContact O-N 3.14Å; N256-K260 PolarHBondContact O-N 3.43Å
257	Y	97	Very high	97.4	Very high	121 Å²	121	63 Å²	63	48%	0.475	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-11.2	-176.8	61	-108.7	0	0	0	113.4	C237 S238 I255 K259 K260	C237-Y257 VanDerWaalsContact C-CD1 3.46Å; C237-Y257 WeakPolarHBondContact O-CD1 3.31Å; C237-Y257 VanDerWaalsContact O-CE1 3.22Å; C237-Y257 WeakPolarHBondContact O-CE1 3.38Å; C237-Y257 PolarHBondContact O-N 2.94Å; S238-Y257 WeakPolarHBondContact CB-OH 3.46Å; I255-Y257 PolarHBondContact O-N 2.99Å; Y257-K259 VanDerWaalsContact C-N 3.29Å; Y257-K260 WeakPolarHBondContact CA-O 3.39Å
258	A	95.8	Very high	97.3	Very high	74 Å²	74	64.5 Å²	64.5	61%	0.612	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-20.6	171.6	0	0	0	0	0	112.5	N256	N256-A258 PolarHBondContact O-N 3.04Å; N256-A258 VanDerWaalsContact OD1-CB 3.3Å; N256-A258 WeakPolarHBondContact OD1-CB 3.48Å; N256-A258 PolarHBondContact OD1-N 2.76Å
259	K	96	Very high	97.3	Very high	147 Å²	147	64.3 Å²	64.3	64%	0.639	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	-21.8	-178.8	-66.1	-171.9	178	-173.7	0	114	D240 N256 Y257	D240-K259 IonicContact OD1-NZ 2.79Å; D240-K259 IonicContact OD2-NZ 2.6Å; D240-K259 PolarHBondContact OD2-NZ 2.81Å; N256-K259 PolarHBondContact O-N 2.82Å; N256-K259 VanDerWaalsContact O-N 3.14Å; Y257-K259 VanDerWaalsContact C-N 3.29Å
260	K	93.6	Very high	97.3	Very high	112 Å²	112	65 Å²	65	49%	0.487	32%	0.317	S	S	.	.	S	Bend	trans	-127.8	136.9	-176.2	-64.3	-175.1	-178.8	-179.5	0	110.7	I255 N256 Y257 L262	I255-K260 HydrophobicContact CG2-CB 4.41Å; N256-K260 PolarHBondContact O-N 3.43Å; Y257-K260 WeakPolarHBondContact CA-O 3.39Å; K260-L262 PolarHBondContact O-N 2.78Å; K260-L262 VanDerWaalsContact O-N 3.12Å
261	D	95.8	Very high	97.2	Very high	96 Å²	96	68.1 Å²	68.1	51%	0.513	33%	0.331	S	S	.	.			trans	-66.5	110	169.5	179.8	-30.2	0	0	0	109.3	A263 K264 T265	D261-A263 VanDerWaalsContact C-N 3.32Å; D261-A263 PolarHBondContact O-N 2.96Å; D261-A263 WeakPolarHBondContact OD1-CA 3.38Å; D261-A263 WeakPolarHBondContact OD1-CB 3.37Å; D261-A263 PolarHBondContact OD1-N 3.35Å; D261-K264 HydrophobicContact CB-CB 3.87Å; D261-K264 PolarHBondContact O-N 3.33Å; D261-K264 PolarHBondContact OD1-N 2.68Å; D261-T265 WeakPolarHBondContact O-CB 3.34Å; D261-T265 PolarHBondContact O-N 3.21Å; D261-T265 PolarHBondContact O-OG1 3.43Å
262	L	95.4	Very high	97.2	Very high	20 Å²	20	75.6 Å²	75.6	11%	0.105	37%	0.366	C	S	.	.	H	α-helix	trans	-60.4	-41.6	-179.4	-179.1	60	0	0	0	111.5	T236 I255 K260 T265 L266 L288	T236-L262 HydrophobicContact CG2-CD1 3.72Å; T236-L262 HydrophobicContact CG2-CD2 3.92Å; I255-L262 HydrophobicContact CB-CD1 4.32Å; I255-L262 HydrophobicContact CD1-CD1 3.66Å; I255-L262 HydrophobicContact CG2-CD1 3.94Å; K260-L262 PolarHBondContact O-N 2.78Å; K260-L262 VanDerWaalsContact O-N 3.12Å; L262-T265 PolarHBondContact O-N 3.23Å; L262-L266 HydrophobicContact CD1-CD1 4.15Å; L262-L266 HydrophobicContact CD1-CG 4.16Å; L262-L266 HydrophobicContact CG-CD1 4.15Å; L262-L266 WeakPolarHBondContact O-CG 3.37Å; L262-L266 PolarHBondContact O-N 3.26Å; L262-L288 HydrophobicContact CB-CD2 4.04Å; L262-L288 HydrophobicContact CD2-CD2 3.73Å; L262-L288 HydrophobicContact CG-CD2 3.61Å
263	A	96.1	Very high	97.1	Very high	21 Å²	21	72.8 Å²	72.8	17%	0.174	35%	0.354	C	S	.	.	H	α-helix	trans	-68.7	-43.3	-177.8	0	0	0	0	0	111.8	D261 T265 R267 L288	D261-A263 VanDerWaalsContact C-N 3.32Å; D261-A263 PolarHBondContact O-N 2.96Å; D261-A263 WeakPolarHBondContact OD1-CA 3.38Å; D261-A263 WeakPolarHBondContact OD1-CB 3.37Å; D261-A263 PolarHBondContact OD1-N 3.35Å; A263-T265 VanDerWaalsContact C-N 3.31Å; A263-R267 WeakPolarHBondContact O-CG 3.48Å; A263-R267 PolarHBondContact O-N 2.93Å; A263-L288 HydrophobicContact CB-CD1 3.57Å; A263-L288 HydrophobicContact CB-CD2 3.92Å; A263-L288 HydrophobicContact CB-CG 4.4Å
264	K	97.3	Very high	97.1	Very high	132 Å²	132	70.9 Å²	70.9	57%	0.574	35%	0.345	S	S	*	.	H	α-helix	trans	-62.8	-40.5	174.2	-173.6	177.8	179.7	177.2	0	111.3	D261 K268	D261-K264 HydrophobicContact CB-CB 3.87Å; D261-K264 PolarHBondContact O-N 3.33Å; D261-K264 PolarHBondContact OD1-N 2.68Å; K264-K268 VanDerWaalsContact O-CB 3.29Å; K264-K268 WeakPolarHBondContact O-CB 3.39Å; K264-K268 PolarHBondContact O-N 3.38Å
265	T	96.8	Very high	97.2	Very high	15 Å²	15	72 Å²	72	9%	0.092	35%	0.35	C	S	.	.	H	α-helix	trans	-64.2	-50.4	178.5	-55.7	0	0	0	0	111	I255 D261 L262 A263 R267 K268 E269	I255-T265 HydrophobicContact CD1-CG2 3.74Å; I255-T265 HydrophobicContact CG1-CG2 4.37Å; D261-T265 WeakPolarHBondContact O-CB 3.34Å; D261-T265 PolarHBondContact O-N 3.21Å; D261-T265 PolarHBondContact O-OG1 3.43Å; L262-T265 PolarHBondContact O-N 3.23Å; A263-T265 VanDerWaalsContact C-N 3.31Å; T265-R267 PolarHBondContact O-N 2.99Å; T265-K268 PolarHBondContact O-N 2.77Å; T265-E269 HydrophobicContact CG2-CG 4.5Å; T265-E269 WeakPolarHBondContact O-CB 3.39Å; T265-E269 PolarHBondContact O-N 3.47Å
266	L	97.8	Very high	97.2	Very high	2 Å²	2	72 Å²	72	1%	0.01	35%	0.35	C	S	.	.	H	α-helix	trans	-60.3	-45.7	178.8	-69.7	176.2	0	0	0	111.9	L210 I234 L262 K268 Y270 L288	L210-L266 HydrophobicContact CD2-CD1 4.14Å; I234-L266 HydrophobicContact CD1-CD2 3.9Å; L262-L266 HydrophobicContact CD1-CD1 4.15Å; L262-L266 HydrophobicContact CD1-CG 4.16Å; L262-L266 HydrophobicContact CG-CD1 4.15Å; L262-L266 WeakPolarHBondContact O-CG 3.37Å; L262-L266 PolarHBondContact O-N 3.26Å; L266-K268 PolarHBondContact O-N 2.84Å; L266-Y270 HydrophobicContact CD2-CD2 4.08Å; L266-Y270 CarbonylContact O-C 3.58Å; L266-Y270 VanDerWaalsContact O-C 3.28Å; L266-Y270 VanDerWaalsContact O-CA 3.29Å; L266-Y270 WeakPolarHBondContact O-CA 3.2Å; L266-Y270 WeakPolarHBondContact O-CB 3.18Å; L266-Y270 PolarHBondContact O-N 3.2Å; L266-L288 HydrophobicContact CD1-CD1 4.46Å; L266-L288 HydrophobicContact CD1-CD2 4.16Å; L266-L288 HydrophobicContact CD1-CG 4.15Å
267	R	96.9	Very high	97.2	Very high	156 Å²	156	71.4 Å²	71.4	59%	0.589	35%	0.347	S	S	*	.	H	α-helix	trans	-62.5	-39.5	177.6	-73.4	-171.2	-55.9	-93.5	-0.7	113.4	A263 T265	A263-R267 WeakPolarHBondContact O-CG 3.48Å; A263-R267 PolarHBondContact O-N 2.93Å; T265-R267 PolarHBondContact O-N 2.99Å
268	K	97.8	Very high	97.3	Very high	171 Å²	171	65.7 Å²	65.7	74%	0.743	33%	0.325	S	S	*	.	H	α-helix	trans	-75.2	-46.1	-175.9	-177.5	-177.3	176.9	-174.6	0	111.8	K264 T265 L266	K264-K268 VanDerWaalsContact O-CB 3.29Å; K264-K268 WeakPolarHBondContact O-CB 3.39Å; K264-K268 PolarHBondContact O-N 3.38Å; T265-K268 PolarHBondContact O-N 2.77Å; L266-K268 PolarHBondContact O-N 2.84Å
269	E	98.1	Very high	97.4	Very high	85 Å²	85	62.1 Å²	62.1	40%	0.397	30%	0.296	S	S	.	.	H	α-helix	trans	-95.2	-22.1	-170.1	-60.2	-171.5	-152.1	0	0	113	K253 T265 P271	K253-E269 WeakPolarHBondContact CE-OE2 3.4Å; K253-E269 IonicContact NZ-OE1 2.7Å; K253-E269 PolarHBondContact NZ-OE1 3.17Å; K253-E269 IonicContact NZ-OE2 3.86Å; K253-E269 PolarHBondContact NZ-OE2 3.3Å; T265-E269 HydrophobicContact CG2-CG 4.5Å; T265-E269 WeakPolarHBondContact O-CB 3.39Å; T265-E269 PolarHBondContact O-N 3.47Å; E269-P271 VanDerWaalsContact C-CD 3.41Å
270	Y	98.1	Very high	97.6	Very high	29 Å²	29	55.8 Å²	55.8	11%	0.114	27%	0.27	C	S	.	.			trans	-129.5	59.9	-178.5	-55.4	-86	0	0	0	110.9	T208 H232 I234 K253 L266 Q272 G273	T208-Y270 HydrophobicContact CG2-CD1 3.95Å; T208-Y270 HydrophobicContact CG2-CE1 3.99Å; H232-Y270 AromaticContact CD2-CE1 3.56Å; H232-Y270 AromaticContact NE2-CE1 3.42Å; H232-Y270 WeakPolarHBondContact NE2-CE1 3.19Å; H232-Y270 AromaticContact NE2-CZ 3.63Å; H232-Y270 PolarHBondContact NE2-OH 2.91Å; I234-Y270 HydrophobicContact CD1-CD1 3.83Å; I234-Y270 HydrophobicContact CD1-CD2 3.69Å; I234-Y270 HydrophobicContact CD1-CE1 3.57Å; I234-Y270 HydrophobicContact CD1-CE2 3.44Å; I234-Y270 VanDerWaalsContact CD1-CE2 3.44Å; I234-Y270 HydrophobicContact CD1-CG 3.87Å; I234-Y270 HydrophobicContact CG1-CE1 4Å; I234-Y270 HydrophobicContact CG1-CE2 4.02Å; I234-Y270 WeakPolarHBondContact CG1-OH 3.23Å; K253-Y270 WeakPolarHBondContact CB-OH 3.33Å; K253-Y270 HydrophobicContact CG-CE2 4.37Å; K253-Y270 WeakPolarHBondContact CG-OH 3.38Å; L266-Y270 HydrophobicContact CD2-CD2 4.08Å; L266-Y270 CarbonylContact O-C 3.58Å; L266-Y270 VanDerWaalsContact O-C 3.28Å; L266-Y270 VanDerWaalsContact O-CA 3.29Å; L266-Y270 WeakPolarHBondContact O-CA 3.2Å; L266-Y270 WeakPolarHBondContact O-CB 3.18Å; L266-Y270 PolarHBondContact O-N 3.2Å; Y270-Q272 PolarHBondContact O-N 3.42Å; Y270-G273 PolarHBondContact O-N 3.09Å
271	P	97.6	Very high	97.8	Very high	99 Å²	99	51.9 Å²	51.9	64%	0.643	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.2	-175.2	27	-35.9	0	0	0	113.6	E269 G273	E269-P271 VanDerWaalsContact C-CD 3.41Å; P271-G273 VanDerWaalsContact C-N 3.28Å
272	Q	97.2	Very high	97.9	Very high	165 Å²	165	47.3 Å²	47.3	77%	0.771	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-5.6	174.4	-58.6	-56.6	-35.9	0	0	113.2	Y270 A294	Y270-Q272 PolarHBondContact O-N 3.42Å; Q272-A294 WeakPolarHBondContact O-CA 3.46Å; Q272-A294 WeakPolarHBondContact O-CB 3.34Å
273	G	98.3	Very high	97.9	Very high	13 Å²	13	46.7 Å²	46.7	13%	0.134	23%	0.229	C	C	.	.			trans	86.9	-169.9	-175.4	0	0	0	0	0	113.8	Y270 P271 S292	Y270-G273 PolarHBondContact O-N 3.09Å; P271-G273 VanDerWaalsContact C-N 3.28Å; G273-S292 CarbonylContact C-O 3.39Å; G273-S292 WeakPolarHBondContact CA-O 3.47Å
274	V	98.8	Very high	97.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	138.5	177.9	-55.5	0	0	0	0	110	T208 L210 I234 V277 S292 L293 A294	T208-V274 HydrophobicContact CG2-CB 4.1Å; T208-V274 HydrophobicContact CG2-CG1 3.75Å; L210-V274 HydrophobicContact CB-CB 4.44Å; L210-V274 HydrophobicContact CB-CG1 4.38Å; L210-V274 HydrophobicContact CB-CG2 4.07Å; I234-V274 HydrophobicContact CD1-CG1 3.81Å; V274-V277 HydrophobicContact CG2-CG2 3.56Å; V274-S292 PolarHBondContact N-O 3.26Å; V274-L293 CarbonylContact O-C 3.53Å; V274-L293 WeakPolarHBondContact O-CA 3.48Å; V274-A294 PolarHBondContact O-N 2.89Å
275	D	98.9	Very high	97.9	Very high	42 Å²	42	45.4 Å²	45.4	23%	0.225	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-35.2	-173.7	-56.2	-64.8	0	0	0	111.9	E207 T208 G297 R298	E207-D275 WeakPolarHBondContact CA-OD2 3.43Å; E207-D275 HydrophobicContact CB-CB 3.91Å; E207-D275 HydrophobicContact CG-CB 4.04Å; T208-D275 PolarHBondContact N-OD2 3.05Å; T208-D275 PolarHBondContact O-N 3.49Å; D275-G297 CarbonylContact O-C 3.54Å; D275-G297 WeakPolarHBondContact O-CA 3.27Å; D275-R298 PolarHBondContact O-N 3.26Å
276	V	98.9	Very high	97.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	139.5	179	-175.3	0	0	0	0	110.8	L203 T208 V209 L210 R298 I300	L203-V276 HydrophobicContact CD2-CB 4.16Å; L203-V276 HydrophobicContact CD2-CG1 4.12Å; L203-V276 HydrophobicContact CD2-CG2 3.87Å; T208-V276 PolarHBondContact O-N 2.72Å; T208-V276 VanDerWaalsContact O-N 3.16Å; V209-V276 CarbonylContact C-O 3.54Å; V209-V276 VanDerWaalsContact CA-O 3.31Å; V209-V276 WeakPolarHBondContact CA-O 3.1Å; V209-V276 HydrophobicContact CG1-CB 4.32Å; V209-V276 HydrophobicContact CG1-CG1 4.45Å; V209-V276 HydrophobicContact CG2-CB 4.18Å; L210-V276 PolarHBondContact N-O 3.13Å; V276-R298 CarbonylContact C-O 3.6Å; V276-R298 VanDerWaalsContact CA-O 3.27Å; V276-R298 WeakPolarHBondContact CA-O 3.45Å; V276-I300 HydrophobicContact CG1-CD1 4.29Å
277	V	98.9	Very high	97.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.7	171.2	-175	0	0	0	0	109.4	L210 V274 E279 A289 L293 R298 L299 I300	L210-V277 HydrophobicContact CB-CG1 4.39Å; L210-V277 HydrophobicContact CB-CG2 4.26Å; L210-V277 HydrophobicContact CD2-CG1 4.24Å; L210-V277 HydrophobicContact CD2-CG2 4.4Å; L210-V277 HydrophobicContact CG-CG1 4.33Å; L210-V277 CarbonylContact O-C 3.54Å; L210-V277 VanDerWaalsContact O-CA 3.3Å; L210-V277 WeakPolarHBondContact O-CA 3.21Å; V274-V277 HydrophobicContact CG2-CG2 3.56Å; V277-E279 HydrophobicContact CG1-CB 3.87Å; V277-E279 HydrophobicContact CG1-CG 4.04Å; V277-A289 HydrophobicContact CG1-CB 3.86Å; V277-A289 HydrophobicContact CG2-CB 4.28Å; V277-L293 HydrophobicContact CG2-CD2 3.79Å; V277-R298 PolarHBondContact N-O 3.27Å; V277-L299 HydrophobicContact CB-CB 4.26Å; V277-L299 HydrophobicContact CB-CD1 4.2Å; V277-L299 HydrophobicContact CB-CG 3.94Å; V277-L299 HydrophobicContact CG1-CD1 4.26Å; V277-L299 HydrophobicContact CG1-CG 4.24Å; V277-L299 HydrophobicContact CG2-CD1 4.44Å; V277-I300 PolarHBondContact O-N 3.01Å
278	Y	98.9	Very high	97.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	96.4	165.2	-169.3	-86.5	0	0	0	108.3	T192 A193 A196 L197 L210 V211 T212 T218 A222 I302	T192-Y278 WeakPolarHBondContact CG2-OH 3.41Å; A193-Y278 WeakPolarHBondContact CA-OH 3.19Å; A193-Y278 HydrophobicContact CB-CE2 4.35Å; A193-Y278 PolarHBondContact N-OH 2.85Å; A196-Y278 HydrophobicContact CB-CE2 4.18Å; L197-Y278 HydrophobicContact CD2-CD2 3.98Å; L197-Y278 HydrophobicContact CG-CD2 4.15Å; L197-Y278 HydrophobicContact CG-CE2 4.47Å; L210-Y278 PolarHBondContact O-N 3.48Å; V211-Y278 HydrophobicContact CG1-CD1 4.04Å; V211-Y278 HydrophobicContact CG1-CG 4.49Å; T212-Y278 PolarHBondContact N-O 3.03Å; T212-Y278 PolarHBondContact OG1-O 3.48Å; T218-Y278 HydrophobicContact CG2-CE1 4.09Å; T218-Y278 PolarHBondContact OG1-OH 3.29Å; A222-Y278 HydrophobicContact CB-CD1 3.77Å; A222-Y278 HydrophobicContact CB-CD2 3.88Å; A222-Y278 HydrophobicContact CB-CE1 3.9Å; A222-Y278 HydrophobicContact CB-CE2 4Å; A222-Y278 HydrophobicContact CB-CG 3.75Å; Y278-I302 HydrophobicContact CD1-CG1 3.92Å; Y278-I302 HydrophobicContact CD2-CD1 3.83Å; Y278-I302 HydrophobicContact CD2-CG1 3.77Å; Y278-I302 HydrophobicContact CE1-CB 4.21Å; Y278-I302 HydrophobicContact CE1-CD1 4.31Å; Y278-I302 HydrophobicContact CE1-CG1 3.69Å; Y278-I302 HydrophobicContact CE1-CG2 3.99Å; Y278-I302 HydrophobicContact CE2-CD1 3.29Å; Y278-I302 HydrophobicContact CE2-CG1 3.52Å; Y278-I302 HydrophobicContact CG-CG1 3.97Å; Y278-I302 VanDerWaalsContact CZ-CG1 3.48Å
279	E	98.8	Very high	97.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	115.1	-167	-144.1	-61	104	0	0	111.5	T212 V277 V281 G282 L286 A289 L299 I300 I302 G303	T212-E279 HydrophobicContact CG2-CG 4.38Å; T212-E279 WeakPolarHBondContact OG1-CA 3.3Å; T212-E279 PolarHBondContact OG1-OE1 3.49Å; V277-E279 HydrophobicContact CG1-CB 3.87Å; V277-E279 HydrophobicContact CG1-CG 4.04Å; E279-V281 WeakPolarHBondContact OE1-CA 3.47Å; E279-V281 WeakPolarHBondContact OE1-CB 3.25Å; E279-V281 PolarHBondContact OE1-N 2.87Å; E279-G282 PolarHBondContact OE1-N 2.76Å; E279-G282 WeakPolarHBondContact OE2-CA 3.45Å; E279-G282 PolarHBondContact OE2-N 3.13Å; E279-L286 HydrophobicContact CG-CD1 3.94Å; E279-A289 HydrophobicContact CG-CB 4.26Å; E279-L299 HydrophobicContact CB-CD2 4.05Å; E279-L299 HydrophobicContact CB-CG 4.24Å; E279-L299 HydrophobicContact CG-CD1 4.45Å; E279-I300 WeakPolarHBondContact CB-O 3.23Å; E279-I300 PolarHBondContact N-O 3.09Å; E279-I302 WeakPolarHBondContact O-CB 3.44Å; E279-I302 PolarHBondContact O-N 2.72Å; E279-G303 PolarHBondContact O-N 3.11Å
280	S	98.6	Very high	97.8	Very high	13 Å²	13	29.8 Å²	29.8	9%	0.091	17%	0.171	C	C	.	.			trans	-120.4	-1.9	-178.3	-59	0	0	0	0	114.3	T212 G303 F304 I305	T212-S280 PolarHBondContact OG1-N 3.05Å; S280-G303 CarbonylContact C-O 3.57Å; S280-G303 VanDerWaalsContact CA-O 3.27Å; S280-G303 WeakPolarHBondContact CA-O 3.32Å; S280-G303 CarbonylContact O-C 3.25Å; S280-F304 PolarHBondContact O-N 2.72Å; S280-I305 PolarHBondContact O-N 2.9Å; S280-I305 VanDerWaalsContact O-N 3.13Å
281	V	98.6	Very high	97.7	Very high	30 Å²	30	31.9 Å²	31.9	18%	0.182	19%	0.185	C	C	.	.	S	Bend	trans	-100.7	-43.7	-169	179.7	0	0	0	0	112.5	A213 E279 V285 F304 I305 S306	A213-V281 HydrophobicContact CB-CG2 4.12Å; E279-V281 WeakPolarHBondContact OE1-CA 3.47Å; E279-V281 WeakPolarHBondContact OE1-CB 3.25Å; E279-V281 PolarHBondContact OE1-N 2.87Å; V281-V285 HydrophobicContact CB-CB 4.09Å; V281-V285 HydrophobicContact CB-CG1 4.08Å; V281-V285 HydrophobicContact CB-CG2 4.39Å; V281-V285 HydrophobicContact CG1-CB 3.97Å; V281-V285 HydrophobicContact CG1-CG1 4.41Å; V281-V285 HydrophobicContact CG1-CG2 3.81Å; V281-F304 CarbonylContact O-C 3.51Å; V281-F304 WeakPolarHBondContact O-CA 3.43Å; V281-I305 PolarHBondContact O-N 3.3Å; V281-S306 VanDerWaalsContact O-CB 3.27Å; V281-S306 WeakPolarHBondContact O-CB 3.48Å; V281-S306 PolarHBondContact O-N 3.26Å; V281-S306 PolarHBondContact O-OG 2.67Å
282	G	97.6	Very high	97.8	Very high	1 Å²	1	28 Å²	28	1%	0.01	16%	0.159	C	C	.	.			trans	82	-169.7	-178	0	0	0	0	0	114.5	E279 S284 V285 L286	E279-G282 PolarHBondContact OE1-N 2.76Å; E279-G282 WeakPolarHBondContact OE2-CA 3.45Å; E279-G282 PolarHBondContact OE2-N 3.13Å; G282-S284 PolarHBondContact O-N 3.23Å; G282-V285 WeakPolarHBondContact O-CB 3.25Å; G282-V285 PolarHBondContact O-N 3.08Å; G282-V285 VanDerWaalsContact O-N 3.16Å; G282-L286 PolarHBondContact O-N 2.93Å
283	G	96.3	Very high	97.8	Very high	6 Å²	6	20.2 Å²	20.2	6%	0.062	12%	0.123	C	C	.	.	H	α-helix	trans	56.2	-133.5	173.9	0	0	0	0	0	114	V285 L286 E287 P316	G283-V285 PolarHBondContact O-N 3.42Å; G283-L286 WeakPolarHBondContact O-CB 3.36Å; G283-L286 PolarHBondContact O-N 3Å; G283-E287 PolarHBondContact O-N 3.49Å; G283-E287 VanDerWaalsContact O-N 3.07Å; G283-P316 WeakPolarHBondContact CA-O 3.17Å
284	S	95.4	Very high	97.9	Very high	93 Å²	93	20 Å²	20	65%	0.65	12%	0.12	S	C	*	.	H	α-helix	trans	-63.4	-25.9	179.3	58.1	0	0	0	0	113.5	G282 L288	G282-S284 PolarHBondContact O-N 3.23Å; S284-L288 WeakPolarHBondContact O-CB 3.26Å; S284-L288 PolarHBondContact O-N 3.42Å
285	V	97.1	Very high	97.8	Very high	33 Å²	33	24.9 Å²	24.9	20%	0.2	15%	0.15	C	C	.	.	H	α-helix	trans	-71.8	-41.3	175.7	178.3	0	0	0	0	110.5	T212 V281 G282 G283 L288 A289	T212-V285 HydrophobicContact CG2-CG1 3.72Å; V281-V285 HydrophobicContact CB-CB 4.09Å; V281-V285 HydrophobicContact CB-CG1 4.08Å; V281-V285 HydrophobicContact CB-CG2 4.39Å; V281-V285 HydrophobicContact CG1-CB 3.97Å; V281-V285 HydrophobicContact CG1-CG1 4.41Å; V281-V285 HydrophobicContact CG1-CG2 3.81Å; G282-V285 WeakPolarHBondContact O-CB 3.25Å; G282-V285 PolarHBondContact O-N 3.08Å; G282-V285 VanDerWaalsContact O-N 3.16Å; G283-V285 PolarHBondContact O-N 3.42Å; V285-L288 PolarHBondContact O-N 2.84Å; V285-A289 WeakPolarHBondContact O-CB 3.44Å; V285-A289 PolarHBondContact O-N 3.36Å
286	L	97.3	Very high	97.8	Very high	24 Å²	24	30.3 Å²	30.3	13%	0.126	17%	0.172	C	C	.	.	H	α-helix	trans	-62.3	-44	172.7	178.1	62.2	0	0	0	111.6	E279 G282 G283 L288 A289 V290 L299 F317	E279-L286 HydrophobicContact CG-CD1 3.94Å; G282-L286 PolarHBondContact O-N 2.93Å; G283-L286 WeakPolarHBondContact O-CB 3.36Å; G283-L286 PolarHBondContact O-N 3Å; L286-L288 VanDerWaalsContact C-N 3.33Å; L286-L288 PolarHBondContact O-N 2.93Å; L286-A289 PolarHBondContact O-N 3.45Å; L286-V290 WeakPolarHBondContact O-CG2 3.24Å; L286-V290 PolarHBondContact O-N 3.14Å; L286-L299 HydrophobicContact CD1-CD1 3.74Å; L286-L299 HydrophobicContact CD1-CD2 3.57Å; L286-L299 HydrophobicContact CD1-CG 4.31Å; L286-F317 HydrophobicContact CB-CE2 4.47Å; L286-F317 HydrophobicContact CD2-CD2 3.91Å; L286-F317 HydrophobicContact CD2-CE2 3.88Å; L286-F317 HydrophobicContact CG-CD2 4.17Å; L286-F317 HydrophobicContact CG-CE2 3.8Å
287	E	96.3	Very high	97.8	Very high	40 Å²	40	30.3 Å²	30.3	19%	0.187	17%	0.172	C	C	.	.	H	α-helix	trans	-58.9	-45	175.2	-69.3	177.3	-160.2	0	0	112	G283 N291 F317 K318	G283-E287 PolarHBondContact O-N 3.49Å; G283-E287 VanDerWaalsContact O-N 3.07Å; E287-N291 PolarHBondContact O-N 2.95Å; E287-N291 VanDerWaalsContact O-N 3.13Å; E287-N291 PolarHBondContact O-ND2 2.74Å; E287-F317 HydrophobicContact CB-CE2 4.5Å; E287-F317 HydrophobicContact CG-CD2 3.58Å; E287-F317 HydrophobicContact CG-CE2 3.67Å; E287-K318 WeakPolarHBondContact OE1-CB 3.48Å; E287-K318 WeakPolarHBondContact OE1-CG 3.08Å; E287-K318 PolarHBondContact OE1-N 3.1Å
288	L	96.9	Very high	97.8	Very high	29 Å²	29	31.5 Å²	31.5	15%	0.152	18%	0.176	C	C	.	.	H	α-helix	trans	-61.6	-47.1	175.9	175.5	58.7	0	0	0	111.1	L262 A263 L266 S284 V285 L286 V290 N291 S292	L262-L288 HydrophobicContact CB-CD2 4.04Å; L262-L288 HydrophobicContact CD2-CD2 3.73Å; L262-L288 HydrophobicContact CG-CD2 3.61Å; A263-L288 HydrophobicContact CB-CD1 3.57Å; A263-L288 HydrophobicContact CB-CD2 3.92Å; A263-L288 HydrophobicContact CB-CG 4.4Å; L266-L288 HydrophobicContact CD1-CD1 4.46Å; L266-L288 HydrophobicContact CD1-CD2 4.16Å; L266-L288 HydrophobicContact CD1-CG 4.15Å; S284-L288 WeakPolarHBondContact O-CB 3.26Å; S284-L288 PolarHBondContact O-N 3.42Å; V285-L288 PolarHBondContact O-N 2.84Å; L286-L288 VanDerWaalsContact C-N 3.33Å; L286-L288 PolarHBondContact O-N 2.93Å; L288-V290 PolarHBondContact O-N 3.02Å; L288-N291 CarbonylContact O-C 3.37Å; L288-N291 WeakPolarHBondContact O-CB 3.38Å; L288-N291 PolarHBondContact O-N 3.32Å; L288-N291 VanDerWaalsContact O-N 3.09Å; L288-S292 WeakPolarHBondContact O-CB 3.23Å; L288-S292 PolarHBondContact O-N 3.21Å; L288-S292 PolarHBondContact O-OG 2.79Å
289	A	97.7	Very high	97.8	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.008	18%	0.176	C	C	.	.	H	α-helix	trans	-58.4	-45.3	179.5	0	0	0	0	0	112.2	V277 E279 V285 L286 N291 S292 L293 L299	V277-A289 HydrophobicContact CG1-CB 3.86Å; V277-A289 HydrophobicContact CG2-CB 4.28Å; E279-A289 HydrophobicContact CG-CB 4.26Å; V285-A289 WeakPolarHBondContact O-CB 3.44Å; V285-A289 PolarHBondContact O-N 3.36Å; L286-A289 PolarHBondContact O-N 3.45Å; A289-N291 VanDerWaalsContact C-N 3.31Å; A289-N291 PolarHBondContact O-N 3.46Å; A289-S292 CarbonylContact O-C 3.6Å; A289-S292 PolarHBondContact O-N 3.44Å; A289-S292 VanDerWaalsContact O-N 3.1Å; A289-L293 PolarHBondContact O-N 2.65Å; A289-L293 VanDerWaalsContact O-N 3.14Å; A289-L299 HydrophobicContact CB-CD1 3.55Å
290	V	97.8	Very high	97.8	Very high	7 Å²	7	31.5 Å²	31.5	4%	0.042	18%	0.176	C	C	.	.	H	α-helix	trans	-56.8	-45.6	173.6	169.2	0	0	0	0	111.2	L286 L288 S292 L293 L299 L322 K325	L286-V290 WeakPolarHBondContact O-CG2 3.24Å; L286-V290 PolarHBondContact O-N 3.14Å; L288-V290 PolarHBondContact O-N 3.02Å; V290-S292 PolarHBondContact O-N 2.9Å; V290-L293 PolarHBondContact O-N 3.11Å; V290-L299 HydrophobicContact CG2-CD1 3.96Å; V290-L322 HydrophobicContact CB-CD1 4.43Å; V290-L322 HydrophobicContact CG1-CD1 3.54Å; V290-L322 HydrophobicContact CG2-CD1 3.96Å; V290-K325 HydrophobicContact CG1-CB 4.39Å; V290-K325 HydrophobicContact CG1-CD 4.08Å
291	N	96.8	Very high	97.8	Very high	74 Å²	74	32.2 Å²	32.2	40%	0.396	18%	0.18	S	C	.	.	H	α-helix	trans	-67.2	-28.2	179.3	-65.1	-31.1	0	0	0	112.4	E287 L288 A289 K325 K329	E287-N291 PolarHBondContact O-N 2.95Å; E287-N291 VanDerWaalsContact O-N 3.13Å; E287-N291 PolarHBondContact O-ND2 2.74Å; L288-N291 CarbonylContact O-C 3.37Å; L288-N291 WeakPolarHBondContact O-CB 3.38Å; L288-N291 PolarHBondContact O-N 3.32Å; L288-N291 VanDerWaalsContact O-N 3.09Å; A289-N291 VanDerWaalsContact C-N 3.31Å; A289-N291 PolarHBondContact O-N 3.46Å; N291-K325 WeakPolarHBondContact OD1-CD 3.45Å; N291-K325 WeakPolarHBondContact OD1-CE 3.45Å; N291-K325 PolarHBondContact OD1-NZ 2.71Å; N291-K329 PolarHBondContact O-NZ 2.89Å
292	S	97.8	Very high	97.9	Very high	16 Å²	16	32.2 Å²	32.2	11%	0.112	18%	0.179	C	C	.	.	H	α-helix	trans	-88	-2.9	-179.4	-69.5	0	0	0	0	114.5	G273 V274 L288 A289 V290	G273-S292 CarbonylContact C-O 3.39Å; G273-S292 WeakPolarHBondContact CA-O 3.47Å; V274-S292 PolarHBondContact N-O 3.26Å; L288-S292 WeakPolarHBondContact O-CB 3.23Å; L288-S292 PolarHBondContact O-N 3.21Å; L288-S292 PolarHBondContact O-OG 2.79Å; A289-S292 CarbonylContact O-C 3.6Å; A289-S292 PolarHBondContact O-N 3.44Å; A289-S292 VanDerWaalsContact O-N 3.1Å; V290-S292 PolarHBondContact O-N 2.9Å
293	L	98.8	Very high	97.9	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.016	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	139.6	176.1	-72.1	170.5	0	0	0	111.9	V274 V277 A289 V290 L299 L326 K329 A331	V274-L293 CarbonylContact O-C 3.53Å; V274-L293 WeakPolarHBondContact O-CA 3.48Å; V277-L293 HydrophobicContact CG2-CD2 3.79Å; A289-L293 PolarHBondContact O-N 2.65Å; A289-L293 VanDerWaalsContact O-N 3.14Å; V290-L293 PolarHBondContact O-N 3.11Å; L293-L299 HydrophobicContact CD1-CB 4.18Å; L293-L299 HydrophobicContact CD2-CB 4.25Å; L293-L326 HydrophobicContact CD1-CD2 4.39Å; L293-K329 HydrophobicContact CB-CD 4.36Å; L293-K329 WeakPolarHBondContact O-CD 3.43Å; L293-K329 WeakPolarHBondContact O-CE 3.38Å; L293-K329 PolarHBondContact O-NZ 2.89Å; L293-A331 HydrophobicContact CB-CB 4.46Å; L293-A331 HydrophobicContact CD1-CB 4.02Å
294	A	98.8	Very high	97.9	Very high	8 Å²	8	35.7 Å²	35.7	7%	0.066	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	171.1	166.6	0	0	0	0	0	110.9	Q272 V274 K296 G297	Q272-A294 WeakPolarHBondContact O-CA 3.46Å; Q272-A294 WeakPolarHBondContact O-CB 3.34Å; V274-A294 PolarHBondContact O-N 2.89Å; A294-K296 PolarHBondContact O-N 2.81Å; A294-G297 WeakPolarHBondContact O-CA 3.5Å; A294-G297 PolarHBondContact O-N 3.35Å
295	T	98.7	Very high	98.1	Very high	102 Å²	102	33.4 Å²	33.4	63%	0.626	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-59	130.2	166.6	-65.1	0	0	0	0	109.3	G297 K329	T295-G297 PolarHBondContact O-N 2.99Å; T295-K329 CarbonylContact C-O 3.25Å; T295-K329 WeakPolarHBondContact CA-O 3.5Å
296	K	98.6	Very high	98.1	Very high	157 Å²	157	35 Å²	35	68%	0.683	19%	0.186	S	C	*	.	E	Extended strand (participates in β ladder)	trans	66.1	13.9	-170.4	-56	174	-175.9	179.5	0	114.9	A294 K329 S330	A294-K296 PolarHBondContact O-N 2.81Å; K296-K329 PolarHBondContact N-O 3.46Å; K296-S330 WeakPolarHBondContact CA-O 3.33Å
297	G	98.8	Very high	98.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	152.8	179.9	0	0	0	0	0	113.7	D275 A294 T295 A331 S332	D275-G297 CarbonylContact O-C 3.54Å; D275-G297 WeakPolarHBondContact O-CA 3.27Å; A294-G297 WeakPolarHBondContact O-CA 3.5Å; A294-G297 PolarHBondContact O-N 3.35Å; T295-G297 PolarHBondContact O-N 2.99Å; G297-A331 CarbonylContact O-C 3.52Å; G297-A331 VanDerWaalsContact O-CA 3.23Å; G297-A331 WeakPolarHBondContact O-CA 3.29Å; G297-A331 VanDerWaalsContact O-CB 3.3Å; G297-A331 WeakPolarHBondContact O-CB 3.09Å; G297-S332 PolarHBondContact O-N 3.11Å
298	R	98.8	Very high	98.2	Very high	24 Å²	24	33 Å²	33	9%	0.091	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	113.8	-175	-62.7	162.1	-74.9	-174.9	4.6	110.2	G201 D202 E207 D275 V276 V277	G201-R298 PolarHBondContact O-NE 2.79Å; G201-R298 PolarHBondContact O-NH1 3.12Å; G201-R298 PolarHBondContact O-NH2 3.3Å; D202-R298 PolarHBondContact O-NH1 3.26Å; D202-R298 PolarHBondContact O-NH2 3.42Å; D202-R298 IonicContact OD2-NH1 3.17Å; D202-R298 PolarHBondContact OD2-NH1 3.18Å; E207-R298 IonicContact OE1-CZ 2.6Å; E207-R298 IonicContact OE1-NH2 2.8Å; E207-R298 PolarHBondContact OE1-NH2 3.37Å; E207-R298 IonicContact OE2-NH2 3.61Å; E207-R298 PolarHBondContact OE2-NH2 3.23Å; D275-R298 PolarHBondContact O-N 3.26Å; V276-R298 CarbonylContact C-O 3.6Å; V276-R298 VanDerWaalsContact CA-O 3.27Å; V276-R298 WeakPolarHBondContact CA-O 3.45Å; V277-R298 PolarHBondContact N-O 3.27Å
299	L	98.9	Very high	98.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121	171.7	-172.4	148.7	0	0	0	109.6	V277 E279 L286 A289 V290 L293 V301 S332 V333 R334	V277-L299 HydrophobicContact CB-CB 4.26Å; V277-L299 HydrophobicContact CB-CD1 4.2Å; V277-L299 HydrophobicContact CB-CG 3.94Å; V277-L299 HydrophobicContact CG1-CD1 4.26Å; V277-L299 HydrophobicContact CG1-CG 4.24Å; V277-L299 HydrophobicContact CG2-CD1 4.44Å; E279-L299 HydrophobicContact CB-CD2 4.05Å; E279-L299 HydrophobicContact CB-CG 4.24Å; E279-L299 HydrophobicContact CG-CD1 4.45Å; L286-L299 HydrophobicContact CD1-CD1 3.74Å; L286-L299 HydrophobicContact CD1-CD2 3.57Å; L286-L299 HydrophobicContact CD1-CG 4.31Å; A289-L299 HydrophobicContact CB-CD1 3.55Å; V290-L299 HydrophobicContact CG2-CD1 3.96Å; L293-L299 HydrophobicContact CD1-CB 4.18Å; L293-L299 HydrophobicContact CD2-CB 4.25Å; L299-V301 HydrophobicContact CD2-CG2 3.58Å; L299-S332 PolarHBondContact N-O 2.99Å; L299-V333 HydrophobicContact CB-CG2 4.36Å; L299-V333 HydrophobicContact CD2-CG1 4.02Å; L299-V333 CarbonylContact O-C 3.47Å; L299-V333 WeakPolarHBondContact O-CA 3.45Å; L299-R334 PolarHBondContact O-N 2.91Å
300	I	98.9	Very high	98.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	117.9	173.1	-51.2	160.9	0	0	0	108.2	A196 L197 L200 V276 V277 E279 I302 R334 F336	A196-I300 HydrophobicContact CB-CG2 4.39Å; L197-I300 HydrophobicContact CD2-CD1 4.25Å; L200-I300 HydrophobicContact CB-CD1 4.11Å; L200-I300 HydrophobicContact CB-CG1 4.03Å; L200-I300 HydrophobicContact CD1-CG2 4.12Å; V276-I300 HydrophobicContact CG1-CD1 4.29Å; V277-I300 PolarHBondContact O-N 3.01Å; E279-I300 WeakPolarHBondContact CB-O 3.23Å; E279-I300 PolarHBondContact N-O 3.09Å; I300-I302 HydrophobicContact CB-CD1 4.39Å; I300-I302 HydrophobicContact CG2-CD1 3.56Å; I300-I302 HydrophobicContact CG2-CG1 4.17Å; I300-I302 PolarHBondContact O-N 2.92Å; I300-R334 CarbonylContact C-O 3.59Å; I300-R334 VanDerWaalsContact CA-O 3.29Å; I300-R334 WeakPolarHBondContact CA-O 3.41Å; I300-F336 HydrophobicContact CG2-CB 3.91Å
301	V	98.8	Very high	98	Very high	28 Å²	28	43.4 Å²	43.4	17%	0.17	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	103.6	171.5	-176.2	0	0	0	0	107.7	L299 F304 V333 R334 F336	L299-V301 HydrophobicContact CD2-CG2 3.58Å; V301-F304 HydrophobicContact CG1-CD1 4.09Å; V301-F304 HydrophobicContact CG1-CE1 4.39Å; V301-V333 HydrophobicContact CG2-CG1 3.65Å; V301-R334 PolarHBondContact N-O 3.43Å; V301-F336 PolarHBondContact O-N 3.03Å
302	I	98.9	Very high	97.9	Very high	31 Å²	31	43.5 Å²	43.5	16%	0.159	25%	0.248	C	C	.	.			trans	-91.2	-38.7	176.4	-57.2	-68	0	0	0	110	T192 A196 Y278 E279 I300 F336	T192-I302 HydrophobicContact CG2-CD1 4.49Å; T192-I302 HydrophobicContact CG2-CG2 3.83Å; A196-I302 HydrophobicContact CB-CD1 3.59Å; Y278-I302 HydrophobicContact CD1-CG1 3.92Å; Y278-I302 HydrophobicContact CD2-CD1 3.83Å; Y278-I302 HydrophobicContact CD2-CG1 3.77Å; Y278-I302 HydrophobicContact CE1-CB 4.21Å; Y278-I302 HydrophobicContact CE1-CD1 4.31Å; Y278-I302 HydrophobicContact CE1-CG1 3.69Å; Y278-I302 HydrophobicContact CE1-CG2 3.99Å; Y278-I302 HydrophobicContact CE2-CD1 3.29Å; Y278-I302 HydrophobicContact CE2-CG1 3.52Å; Y278-I302 HydrophobicContact CG-CG1 3.97Å; Y278-I302 VanDerWaalsContact CZ-CG1 3.48Å; E279-I302 WeakPolarHBondContact O-CB 3.44Å; E279-I302 PolarHBondContact O-N 2.72Å; I300-I302 HydrophobicContact CB-CD1 4.39Å; I300-I302 HydrophobicContact CG2-CD1 3.56Å; I300-I302 HydrophobicContact CG2-CG1 4.17Å; I300-I302 PolarHBondContact O-N 2.92Å; I302-F336 HydrophobicContact CD1-CB 4.04Å; I302-F336 HydrophobicContact CD1-CD1 4.25Å; I302-F336 HydrophobicContact CD1-CG 4.35Å
303	G	98	Very high	97.7	Very high	7 Å²	7	42.9 Å²	42.9	7%	0.072	24%	0.244	C	C	.	.			trans	-173.3	178.8	-179.8	0	0	0	0	0	111.4	E279 S280 Y308	E279-G303 PolarHBondContact O-N 3.11Å; S280-G303 CarbonylContact C-O 3.57Å; S280-G303 VanDerWaalsContact CA-O 3.27Å; S280-G303 WeakPolarHBondContact CA-O 3.32Å; S280-G303 CarbonylContact O-C 3.25Å; G303-Y308 WeakPolarHBondContact CA-OH 3.34Å
304	F	97.9	Very high	97.5	Very high	72 Å²	72	48 Å²	48	32%	0.316	27%	0.27	S	S	.	.			trans	-148.5	62.1	-179.9	36.4	-95.2	0	0	0	110.2	S280 V281 V301 S306 G307 Y308 P315	S280-F304 PolarHBondContact O-N 2.72Å; V281-F304 CarbonylContact O-C 3.51Å; V281-F304 WeakPolarHBondContact O-CA 3.43Å; V301-F304 HydrophobicContact CG1-CD1 4.09Å; V301-F304 HydrophobicContact CG1-CE1 4.39Å; F304-S306 PolarHBondContact O-N 3.27Å; F304-G307 PolarHBondContact O-N 3.2Å; F304-Y308 HydrophobicContact CD2-CD1 4.03Å; F304-Y308 AromaticContact CD2-CE1 3.35Å; F304-Y308 HydrophobicContact CD2-CE1 3.35Å; F304-Y308 HydrophobicContact CE2-CD1 4.25Å; F304-Y308 AromaticContact CE2-CE1 3.5Å; F304-Y308 HydrophobicContact CE2-CE1 3.5Å; F304-Y308 HydrophobicContact CG-CE1 4.12Å; F304-Y308 HydrophobicContact CZ-CE1 4.36Å; F304-Y308 PolarHBondContact N-OH 3.05Å; F304-P315 HydrophobicContact CB-CG 4Å; F304-P315 HydrophobicContact CD2-CG 4.46Å
305	I	98.3	Very high	97.3	Very high	45 Å²	45	48.2 Å²	48.2	23%	0.231	27%	0.271	C	S	.	.	H	α-helix	trans	-55.3	-27.7	-170.9	-164	173.9	0	0	0	113.8	A109 S280 V281 G307 Y308 Y390	A109-I305 HydrophobicContact CB-CD1 3.54Å; A109-I305 HydrophobicContact CB-CG1 3.94Å; S280-I305 PolarHBondContact O-N 2.9Å; S280-I305 VanDerWaalsContact O-N 3.13Å; V281-I305 PolarHBondContact O-N 3.3Å; I305-G307 PolarHBondContact O-N 2.81Å; I305-G307 VanDerWaalsContact O-N 3.08Å; I305-Y308 HydrophobicContact CB-CD2 4.19Å; I305-Y308 HydrophobicContact CB-CE2 4.2Å; I305-Y308 HydrophobicContact CG1-CD2 4.01Å; I305-Y308 HydrophobicContact CG1-CE2 4.4Å; I305-Y308 PolarHBondContact O-N 3.34Å; I305-Y390 HydrophobicContact CD1-CE1 4.17Å; I305-Y390 HydrophobicContact CG1-CD1 4.4Å; I305-Y390 HydrophobicContact CG1-CE1 3.68Å
306	S	97.6	Very high	97	Very high	66 Å²	66	48.8 Å²	48.8	46%	0.462	28%	0.276	S	S	.	.	H	α-helix	trans	-63.4	-16.1	179.2	78.9	0	0	0	0	113.8	V281 F304 P315	V281-S306 VanDerWaalsContact O-CB 3.27Å; V281-S306 WeakPolarHBondContact O-CB 3.48Å; V281-S306 PolarHBondContact O-N 3.26Å; V281-S306 PolarHBondContact O-OG 2.67Å; F304-S306 PolarHBondContact O-N 3.27Å; S306-P315 WeakPolarHBondContact OG-CB 3.45Å
307	G	97.4	Very high	96.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-102	-17	178.6	0	0	0	0	0	114.9	F304 I305 Q309 T310 G313	F304-G307 PolarHBondContact O-N 3.2Å; I305-G307 PolarHBondContact O-N 2.81Å; I305-G307 VanDerWaalsContact O-N 3.08Å; G307-Q309 VanDerWaalsContact C-N 3.28Å; G307-Q309 PolarHBondContact O-N 3.49Å; G307-T310 WeakPolarHBondContact O-CB 3.36Å; G307-T310 WeakPolarHBondContact O-CG2 3.5Å; G307-T310 PolarHBondContact O-N 3.36Å; G307-T310 PolarHBondContact O-OG1 2.92Å; G307-G313 CarbonylContact C-O 3.13Å; G307-G313 CarbonylContact O-C 3.48Å; G307-G313 VanDerWaalsContact O-C 3.25Å; G307-G313 VanDerWaalsContact O-CA 3.23Å; G307-G313 WeakPolarHBondContact O-CA 3.41Å
308	Y	98.2	Very high	96.2	Very high	22 Å²	22	53.1 Å²	53.1	9%	0.086	30%	0.296	C	S	.	.	H	α-helix	trans	-64.7	-29.3	-167.1	-63.5	-22.1	0	0	0	113.8	Q77 A109 N113 R118 G303 F304 I305 T310 Y390	Q77-Y308 WeakPolarHBondContact CB-O 3.46Å; A109-Y308 HydrophobicContact CB-CD2 4.32Å; A109-Y308 HydrophobicContact CB-CE2 4.22Å; N113-Y308 WeakPolarHBondContact ND2-CD1 3.36Å; N113-Y308 WeakPolarHBondContact ND2-CD2 3.25Å; N113-Y308 WeakPolarHBondContact ND2-CE1 3.17Å; N113-Y308 WeakPolarHBondContact OD1-CD1 3.34Å; R118-Y308 PolarHBondContact NH1-O 3.19Å; G303-Y308 WeakPolarHBondContact CA-OH 3.34Å; F304-Y308 HydrophobicContact CD2-CD1 4.03Å; F304-Y308 AromaticContact CD2-CE1 3.35Å; F304-Y308 HydrophobicContact CD2-CE1 3.35Å; F304-Y308 HydrophobicContact CE2-CD1 4.25Å; F304-Y308 AromaticContact CE2-CE1 3.5Å; F304-Y308 HydrophobicContact CE2-CE1 3.5Å; F304-Y308 HydrophobicContact CG-CE1 4.12Å; F304-Y308 HydrophobicContact CZ-CE1 4.36Å; F304-Y308 PolarHBondContact N-OH 3.05Å; I305-Y308 HydrophobicContact CB-CD2 4.19Å; I305-Y308 HydrophobicContact CB-CE2 4.2Å; I305-Y308 HydrophobicContact CG1-CD2 4.01Å; I305-Y308 HydrophobicContact CG1-CE2 4.4Å; I305-Y308 PolarHBondContact O-N 3.34Å; Y308-T310 VanDerWaalsContact C-N 3.3Å; Y308-T310 PolarHBondContact O-N 2.76Å; Y308-Y390 WeakPolarHBondContact CB-OH 3.33Å; Y308-Y390 WeakPolarHBondContact CD2-OH 3.32Å
309	Q	97.6	Very high	95.5	Very high	117 Å²	117	53 Å²	53	55%	0.547	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-6.1	176.7	-66.5	179.1	-62.4	0	0	113.8	Q77 I112 G307 Y390	Q77-Q309 WeakPolarHBondContact CG-O 3.46Å; I112-Q309 HydrophobicContact CD1-CB 4.47Å; I112-Q309 HydrophobicContact CD1-CG 3.63Å; G307-Q309 VanDerWaalsContact C-N 3.28Å; G307-Q309 PolarHBondContact O-N 3.49Å; Q309-Y390 HydrophobicContact CG-CD1 3.66Å; Q309-Y390 HydrophobicContact CG-CE1 3.71Å; Q309-Y390 HydrophobicContact CG-CG 4.33Å
310	T	96.9	Very high	95.3	Very high	52 Å²	52	56.9 Å²	56.9	32%	0.319	34%	0.341	S	S	.	.	S	Bend	trans	-78.3	161.8	173.2	78.2	0	0	0	0	110.6	R118 G307 Y308 S312 G313	R118-T310 PolarHBondContact NH2-O 3.06Å; G307-T310 WeakPolarHBondContact O-CB 3.36Å; G307-T310 WeakPolarHBondContact O-CG2 3.5Å; G307-T310 PolarHBondContact O-N 3.36Å; G307-T310 PolarHBondContact O-OG1 2.92Å; Y308-T310 VanDerWaalsContact C-N 3.3Å; Y308-T310 PolarHBondContact O-N 2.76Å; T310-S312 VanDerWaalsContact C-N 3.31Å; T310-S312 PolarHBondContact O-N 2.98Å; T310-S312 PolarHBondContact OG1-OG 2.89Å; T310-G313 PolarHBondContact O-N 3.21Å; T310-G313 VanDerWaalsContact O-N 3.15Å; T310-G313 PolarHBondContact OG1-N 3.38Å; T310-G313 VanDerWaalsContact OG1-N 3.12Å
311	A	93.6	Very high	95.1	Very high	88 Å²	88	60.3 Å²	60.3	73%	0.727	36%	0.363	S	S	*	.	S	Bend	trans	-57.3	-43.2	177.9	0	0	0	0	0	112.4	R118	R118-A311 PolarHBondContact NH2-O 3.47Å
312	S	93.8	Very high	95	Very high	76 Å²	76	60.9 Å²	60.9	53%	0.531	37%	0.365	S	S	.	.	S	Bend	trans	-74.9	-24.3	178.4	62.6	0	0	0	0	113.4	T310 I314	T310-S312 VanDerWaalsContact C-N 3.31Å; T310-S312 PolarHBondContact O-N 2.98Å; T310-S312 PolarHBondContact OG1-OG 2.89Å; S312-I314 PolarHBondContact O-N 3.21Å; S312-I314 PolarHBondContact OG-N 3.12Å; S312-I314 PolarHBondContact OG-O 3.15Å
313	G	95.6	Very high	95	Very high	3 Å²	3	63.8 Å²	63.8	3%	0.031	39%	0.386	C	S	.	.	S	Bend	trans	75.6	3.4	-170.9	0	0	0	0	0	113.9	R118 G307 T310	R118-G313 VanDerWaalsContact NH1-CA 3.31Å; G307-G313 CarbonylContact C-O 3.13Å; G307-G313 CarbonylContact O-C 3.48Å; G307-G313 VanDerWaalsContact O-C 3.25Å; G307-G313 VanDerWaalsContact O-CA 3.23Å; G307-G313 WeakPolarHBondContact O-CA 3.41Å; T310-G313 PolarHBondContact O-N 3.21Å; T310-G313 VanDerWaalsContact O-N 3.15Å; T310-G313 PolarHBondContact OG1-N 3.38Å; T310-G313 VanDerWaalsContact OG1-N 3.12Å
314	I	94.4	Very high	94.9	Very high	110 Å²	110	67.3 Å²	67.3	56%	0.564	41%	0.405	S	S	*	.			trans	-117.9	122.2	-173.9	-58.6	169.3	0	0	0	107.7	S312	S312-I314 PolarHBondContact O-N 3.21Å; S312-I314 PolarHBondContact OG-N 3.12Å; S312-I314 PolarHBondContact OG-O 3.15Å
315	P	93.6	Very high	94.9	Very high	12 Å²	12	66.6 Å²	66.6	8%	0.078	40%	0.402	C	S	.	.			trans	-73.4	151	176.2	30.9	-31.6	0	0	0	110.6	F304 S306 F317	F304-P315 HydrophobicContact CB-CG 4Å; F304-P315 HydrophobicContact CD2-CG 4.46Å; S306-P315 WeakPolarHBondContact OG-CB 3.45Å; P315-F317 PolarHBondContact O-N 3.16Å
316	P	92.4	Very high	94.9	Very high	114 Å²	114	66 Å²	66	74%	0.74	40%	0.399	S	S	*	.			trans	-55.4	136.6	171.5	-23.6	33.5	0	0	0	111.4	G283	G283-P316 WeakPolarHBondContact CA-O 3.17Å
317	F	90.8	Very high	95	Very high	82 Å²	82	69.3 Å²	69.3	36%	0.36	41%	0.411	S	S	.	.			trans	-139.6	121	179.2	177.7	-110.1	0	0	0	110.8	L286 E287 P315 G319 L322	L286-F317 HydrophobicContact CB-CE2 4.47Å; L286-F317 HydrophobicContact CD2-CD2 3.91Å; L286-F317 HydrophobicContact CD2-CE2 3.88Å; L286-F317 HydrophobicContact CG-CD2 4.17Å; L286-F317 HydrophobicContact CG-CE2 3.8Å; E287-F317 HydrophobicContact CB-CE2 4.5Å; E287-F317 HydrophobicContact CG-CD2 3.58Å; E287-F317 HydrophobicContact CG-CE2 3.67Å; P315-F317 PolarHBondContact O-N 3.16Å; F317-G319 VanDerWaalsContact CD1-CA 3.47Å; F317-G319 PolarHBondContact O-N 3.05Å; F317-L322 HydrophobicContact CE1-CD2 4.15Å; F317-L322 HydrophobicContact CZ-CD2 4.3Å
318	K	90.1	Very high	95	Very high	167 Å²	167	76.1 Å²	76.1	73%	0.726	44%	0.443	S	S	*	.			trans	-80.8	64.3	177	-62.9	178.6	-176.9	178.9	0	111	E287 G320	E287-K318 WeakPolarHBondContact OE1-CB 3.48Å; E287-K318 WeakPolarHBondContact OE1-CG 3.08Å; E287-K318 PolarHBondContact OE1-N 3.1Å; K318-G320 PolarHBondContact O-N 3.36Å
319	G	84.7	Confident	95.1	Very high	21 Å²	21	77.7 Å²	77.7	22%	0.216	45%	0.45	C	S	.	.	G	3₁₀ helix	trans	-81.9	-3.9	-173.6	0	0	0	0	0	116.6	F317 T321 L322	F317-G319 VanDerWaalsContact CD1-CA 3.47Å; F317-G319 PolarHBondContact O-N 3.05Å; G319-T321 PolarHBondContact O-N 3.26Å; G319-L322 WeakPolarHBondContact O-CB 3.2Å; G319-L322 PolarHBondContact O-N 3.35Å
320	G	93.2	Very high	95.1	Very high	81 Å²	81	76.3 Å²	76.3	84%	0.835	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-58	-23.8	-172.1	0	0	0	0	0	115	K318	K318-G320 PolarHBondContact O-N 3.36Å
321	T	94.9	Very high	95.2	Very high	73 Å²	73	74.5 Å²	74.5	45%	0.448	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-102.9	4.4	176.9	54.1	0	0	0	0	113.8	G319 V324 K325	G319-T321 PolarHBondContact O-N 3.26Å; T321-V324 PolarHBondContact O-N 2.75Å; T321-K325 WeakPolarHBondContact O-CG 3.45Å; T321-K325 PolarHBondContact O-N 2.85Å; T321-K325 WeakPolarHBondContact OG1-CE 3.37Å; T321-K325 PolarHBondContact OG1-NZ 2.82Å
322	L	97.1	Very high	95.4	Very high	40 Å²	40	71.8 Å²	71.8	21%	0.209	42%	0.42	C	S	.	.	H	α-helix	trans	-57.2	-47.1	-176.3	180	66.6	0	0	0	112.7	V290 F317 G319 V324 K325 L326 V333	V290-L322 HydrophobicContact CB-CD1 4.43Å; V290-L322 HydrophobicContact CG1-CD1 3.54Å; V290-L322 HydrophobicContact CG2-CD1 3.96Å; F317-L322 HydrophobicContact CE1-CD2 4.15Å; F317-L322 HydrophobicContact CZ-CD2 4.3Å; G319-L322 WeakPolarHBondContact O-CB 3.2Å; G319-L322 PolarHBondContact O-N 3.35Å; L322-V324 VanDerWaalsContact C-N 3.3Å; L322-V324 PolarHBondContact O-N 3.25Å; L322-K325 PolarHBondContact O-N 3.46Å; L322-L326 HydrophobicContact CD1-CD1 3.99Å; L322-L326 HydrophobicContact CD1-CD2 4.16Å; L322-L326 HydrophobicContact CD1-CG 3.87Å; L322-L326 HydrophobicContact CG-CD1 3.94Å; L322-L326 HydrophobicContact CG-CG 4.2Å; L322-L326 WeakPolarHBondContact O-CG 3.34Å; L322-L326 PolarHBondContact O-N 3.2Å; L322-V333 HydrophobicContact CD1-CG2 4.34Å
323	P	98.3	Very high	95.7	Very high	92 Å²	92	70.9 Å²	70.9	60%	0.597	41%	0.411	S	S	*	.	H	α-helix	trans	-58.1	-41.4	179.3	-25.7	35.9	0	0	0	113	L326 L327	P323-L326 PolarHBondContact O-N 2.93Å; P323-L327 VanDerWaalsContact O-CB 3.23Å; P323-L327 WeakPolarHBondContact O-CB 3.29Å; P323-L327 PolarHBondContact O-N 3.29Å
324	V	97.7	Very high	95.8	Very high	81 Å²	81	74 Å²	74	49%	0.491	42%	0.422	S	S	.	.	H	α-helix	trans	-65	-45.5	178.4	179.5	0	0	0	0	110.7	T321 L322 L326 L327 Q328	T321-V324 PolarHBondContact O-N 2.75Å; L322-V324 VanDerWaalsContact C-N 3.3Å; L322-V324 PolarHBondContact O-N 3.25Å; V324-L326 PolarHBondContact O-N 3.36Å; V324-L327 PolarHBondContact O-N 2.8Å; V324-Q328 HydrophobicContact CG1-CG 4.33Å; V324-Q328 WeakPolarHBondContact O-CB 3.42Å; V324-Q328 VanDerWaalsContact O-CG 3.29Å; V324-Q328 WeakPolarHBondContact O-CG 3.18Å; V324-Q328 PolarHBondContact O-N 2.91Å
325	K	97.6	Very high	96	Very high	56 Å²	56	71.8 Å²	71.8	24%	0.243	43%	0.426	C	S	.	.	H	α-helix	trans	-62.4	-42	178.9	-70.4	174.6	-179.6	178.4	0	112.4	V290 N291 T321 L322 K329	V290-K325 HydrophobicContact CG1-CB 4.39Å; V290-K325 HydrophobicContact CG1-CD 4.08Å; N291-K325 WeakPolarHBondContact OD1-CD 3.45Å; N291-K325 WeakPolarHBondContact OD1-CE 3.45Å; N291-K325 PolarHBondContact OD1-NZ 2.71Å; T321-K325 WeakPolarHBondContact O-CG 3.45Å; T321-K325 PolarHBondContact O-N 2.85Å; T321-K325 WeakPolarHBondContact OG1-CE 3.37Å; T321-K325 PolarHBondContact OG1-NZ 2.82Å; L322-K325 PolarHBondContact O-N 3.46Å; K325-K329 PolarHBondContact O-N 3.31Å
326	L	98.6	Very high	96.3	Very high	33 Å²	33	72 Å²	72	17%	0.173	43%	0.425	C	S	.	.	H	α-helix	trans	-68.3	-45.3	177.5	-64.2	-178.9	0	0	0	111.2	L293 L322 P323 V324 Q328 K329 S330 A331 V333	L293-L326 HydrophobicContact CD1-CD2 4.39Å; L322-L326 HydrophobicContact CD1-CD1 3.99Å; L322-L326 HydrophobicContact CD1-CD2 4.16Å; L322-L326 HydrophobicContact CD1-CG 3.87Å; L322-L326 HydrophobicContact CG-CD1 3.94Å; L322-L326 HydrophobicContact CG-CG 4.2Å; L322-L326 WeakPolarHBondContact O-CG 3.34Å; L322-L326 PolarHBondContact O-N 3.2Å; P323-L326 PolarHBondContact O-N 2.93Å; V324-L326 PolarHBondContact O-N 3.36Å; L326-Q328 PolarHBondContact O-N 2.81Å; L326-K329 CarbonylContact O-C 3.53Å; L326-K329 PolarHBondContact O-N 2.91Å; L326-S330 CarbonylContact O-C 3.56Å; L326-S330 WeakPolarHBondContact O-CA 3.45Å; L326-S330 PolarHBondContact O-N 2.97Å; L326-A331 HydrophobicContact CD2-CB 4.03Å; L326-A331 PolarHBondContact O-N 3.1Å; L326-V333 HydrophobicContact CD1-CG2 4.06Å; L326-V333 HydrophobicContact CD2-CG2 3.96Å
327	L	98.6	Very high	96.5	Very high	136 Å²	136	70.1 Å²	70.1	71%	0.712	41%	0.406	S	S	*	.	H	α-helix	trans	-58.7	-49.4	178.2	-178.5	149.4	0	0	0	111.6	P323 V324 K329 S330	P323-L327 VanDerWaalsContact O-CB 3.23Å; P323-L327 WeakPolarHBondContact O-CB 3.29Å; P323-L327 PolarHBondContact O-N 3.29Å; V324-L327 PolarHBondContact O-N 2.8Å; L327-K329 PolarHBondContact O-N 3.07Å; L327-S330 PolarHBondContact O-N 3.02Å; L327-S330 VanDerWaalsContact O-N 3.11Å
328	Q	98.3	Very high	96.9	Very high	143 Å²	143	66.7 Å²	66.7	67%	0.668	39%	0.391	S	S	*	.	H	α-helix	trans	-60.6	-28.6	-178.9	-76.5	177	-25.7	0	0	113.5	V324 L326	V324-Q328 HydrophobicContact CG1-CG 4.33Å; V324-Q328 WeakPolarHBondContact O-CB 3.42Å; V324-Q328 VanDerWaalsContact O-CG 3.29Å; V324-Q328 WeakPolarHBondContact O-CG 3.18Å; V324-Q328 PolarHBondContact O-N 2.91Å; L326-Q328 PolarHBondContact O-N 2.81Å
329	K	98.6	Very high	97.1	Very high	54 Å²	54	59.9 Å²	59.9	24%	0.235	36%	0.364	C	S	.	.	H	α-helix	trans	-102.3	-2.9	179.9	-64.6	-176.5	176.7	-170.2	0	113.1	N291 L293 T295 K296 K325 L326 L327 A331	N291-K329 PolarHBondContact O-NZ 2.89Å; L293-K329 HydrophobicContact CB-CD 4.36Å; L293-K329 WeakPolarHBondContact O-CD 3.43Å; L293-K329 WeakPolarHBondContact O-CE 3.38Å; L293-K329 PolarHBondContact O-NZ 2.89Å; T295-K329 CarbonylContact C-O 3.25Å; T295-K329 WeakPolarHBondContact CA-O 3.5Å; K296-K329 PolarHBondContact N-O 3.46Å; K325-K329 PolarHBondContact O-N 3.31Å; L326-K329 CarbonylContact O-C 3.53Å; L326-K329 PolarHBondContact O-N 2.91Å; L327-K329 PolarHBondContact O-N 3.07Å; K329-A331 HydrophobicContact CB-CB 3.79Å; K329-A331 PolarHBondContact O-N 2.74Å; K329-A331 VanDerWaalsContact O-N 3.13Å
330	S	98.7	Very high	97.7	Very high	88 Å²	88	65.1 Å²	65.1	62%	0.615	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	34.3	-164.7	-55.6	0	0	0	0	112.6	K296 L326 L327	K296-S330 WeakPolarHBondContact CA-O 3.33Å; L326-S330 CarbonylContact O-C 3.56Å; L326-S330 WeakPolarHBondContact O-CA 3.45Å; L326-S330 PolarHBondContact O-N 2.97Å; L327-S330 PolarHBondContact O-N 3.02Å; L327-S330 VanDerWaalsContact O-N 3.11Å
331	A	98.8	Very high	98	Very high	14 Å²	14	63.5 Å²	63.5	12%	0.116	35%	0.352	C	S	.	.			trans	-91.8	169.1	-174.3	0	0	0	0	0	111.3	L293 G297 L326 K329	L293-A331 HydrophobicContact CB-CB 4.46Å; L293-A331 HydrophobicContact CD1-CB 4.02Å; G297-A331 CarbonylContact O-C 3.52Å; G297-A331 VanDerWaalsContact O-CA 3.23Å; G297-A331 WeakPolarHBondContact O-CA 3.29Å; G297-A331 VanDerWaalsContact O-CB 3.3Å; G297-A331 WeakPolarHBondContact O-CB 3.09Å; L326-A331 HydrophobicContact CD2-CB 4.03Å; L326-A331 PolarHBondContact O-N 3.1Å; K329-A331 HydrophobicContact CB-CB 3.79Å; K329-A331 PolarHBondContact O-N 2.74Å; K329-A331 VanDerWaalsContact O-N 3.13Å
332	S	98.7	Very high	98	Very high	32 Å²	32	64.3 Å²	64.3	22%	0.224	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	151.8	-179.8	60.9	0	0	0	0	113.1	G297 L299 R334	G297-S332 PolarHBondContact O-N 3.11Å; L299-S332 PolarHBondContact N-O 2.99Å; S332-R334 PolarHBondContact OG-NE 3.09Å
333	V	98.6	Very high	98	Very high	56 Å²	56	66.2 Å²	66.2	34%	0.339	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.3	166.7	178.2	0	0	0	0	107.4	L299 V301 L322 L326	L299-V333 HydrophobicContact CB-CG2 4.36Å; L299-V333 HydrophobicContact CD2-CG1 4.02Å; L299-V333 CarbonylContact O-C 3.47Å; L299-V333 WeakPolarHBondContact O-CA 3.45Å; V301-V333 HydrophobicContact CG2-CG1 3.65Å; L322-V333 HydrophobicContact CD1-CG2 4.34Å; L326-V333 HydrophobicContact CD1-CG2 4.06Å; L326-V333 HydrophobicContact CD2-CG2 3.96Å
334	R	98.5	Very high	97.9	Very high	70 Å²	70	63.1 Å²	63.1	26%	0.264	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	118.5	-170.8	-55.4	175.6	-175.1	-166	-9.4	108.9	L200 D202 L299 I300 V301 S332	L200-R334 HydrophobicContact CD1-CB 4.37Å; L200-R334 WeakPolarHBondContact O-CD 3.28Å; L200-R334 PolarHBondContact O-NH1 2.94Å; D202-R334 IonicContact OD2-CZ 3.15Å; D202-R334 IonicContact OD2-NH1 2.67Å; D202-R334 PolarHBondContact OD2-NH1 3.49Å; D202-R334 IonicContact OD2-NH2 2.68Å; L299-R334 PolarHBondContact O-N 2.91Å; I300-R334 CarbonylContact C-O 3.59Å; I300-R334 VanDerWaalsContact CA-O 3.29Å; I300-R334 WeakPolarHBondContact CA-O 3.41Å; V301-R334 PolarHBondContact N-O 3.43Å; S332-R334 PolarHBondContact OG-NE 3.09Å
335	G	98.6	Very high	97.9	Very high	63 Å²	63	60.6 Å²	60.6	65%	0.649	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	138.8	173.7	0	0	0	0	0	111.4
336	F	98.8	Very high	97.8	Very high	15 Å²	15	66 Å²	66	7%	0.066	37%	0.367	C	S	.	.			trans	-118.9	132.6	171.7	-177.7	-96.4	0	0	0	110.7	T192 I195 A196 L200 I300 V301 I302 L338 F341	T192-F336 HydrophobicContact CG2-CD1 3.92Å; T192-F336 HydrophobicContact CG2-CE1 3.71Å; I195-F336 HydrophobicContact CB-CE2 4.2Å; I195-F336 HydrophobicContact CB-CZ 4Å; I195-F336 HydrophobicContact CG2-CE2 3.79Å; I195-F336 HydrophobicContact CG2-CZ 3.98Å; A196-F336 HydrophobicContact CB-CB 4.27Å; A196-F336 HydrophobicContact CB-CD1 3.93Å; A196-F336 HydrophobicContact CB-CD2 3.67Å; A196-F336 HydrophobicContact CB-CE1 4.18Å; A196-F336 HydrophobicContact CB-CE2 3.94Å; A196-F336 HydrophobicContact CB-CG 3.66Å; A196-F336 HydrophobicContact CB-CZ 4.18Å; L200-F336 HydrophobicContact CD1-CB 3.87Å; L200-F336 HydrophobicContact CD1-CD2 3.79Å; L200-F336 HydrophobicContact CD1-CG 4.32Å; I300-F336 HydrophobicContact CG2-CB 3.91Å; V301-F336 PolarHBondContact O-N 3.03Å; I302-F336 HydrophobicContact CD1-CB 4.04Å; I302-F336 HydrophobicContact CD1-CD1 4.25Å; I302-F336 HydrophobicContact CD1-CG 4.35Å; F336-L338 HydrophobicContact CE1-CB 4.02Å; F336-L338 HydrophobicContact CE1-CD1 4.38Å; F336-L338 HydrophobicContact CZ-CB 4.41Å; F336-L338 HydrophobicContact CZ-CD1 4.13Å; F336-F341 AromaticContact CD2-CD2 3.88Å; F336-F341 HydrophobicContact CD2-CD2 3.88Å; F336-F341 AromaticContact CD2-CE2 3.69Å; F336-F341 HydrophobicContact CD2-CE2 3.69Å; F336-F341 HydrophobicContact CD2-CZ 4.28Å; F336-F341 HydrophobicContact CE2-CB 4.36Å; F336-F341 HydrophobicContact CE2-CD1 4.47Å; F336-F341 AromaticContact CE2-CD2 3.44Å; F336-F341 HydrophobicContact CE2-CD2 3.44Å; F336-F341 VanDerWaalsContact CE2-CD2 3.44Å; F336-F341 AromaticContact CE2-CE2 3.74Å; F336-F341 HydrophobicContact CE2-CE2 3.74Å; F336-F341 AromaticContact CE2-CG 3.85Å; F336-F341 HydrophobicContact CE2-CG 3.85Å; F336-F341 HydrophobicContact CE2-CZ 4.37Å; F336-F341 HydrophobicContact CZ-CD2 4.16Å
337	F	98.2	Very high	97.7	Very high	76 Å²	76	68.8 Å²	68.8	33%	0.333	38%	0.379	S	S	.	.			trans	-139	113.1	172.9	-174	-124.2	0	0	0	108.8	L11 Y119 P339 H340	L11-F337 HydrophobicContact CD2-CE1 4.42Å; Y119-F337 HydrophobicContact CD1-CZ 4.45Å; Y119-F337 HydrophobicContact CE1-CE2 4.14Å; Y119-F337 HydrophobicContact CE1-CZ 4.11Å; F337-P339 VanDerWaalsContact C-CD 3.47Å; F337-P339 VanDerWaalsContact C-N 3.33Å; F337-P339 HydrophobicContact CD1-CB 4.08Å; F337-P339 HydrophobicContact CD1-CG 4Å; F337-P339 HydrophobicContact CE1-CB 3.77Å; F337-P339 HydrophobicContact CE1-CG 3.52Å; F337-P339 HydrophobicContact CE2-CG 4.21Å; F337-P339 HydrophobicContact CZ-CB 4.38Å; F337-P339 HydrophobicContact CZ-CG 3.63Å; F337-H340 AromaticContact CD1-CD2 3.97Å; F337-H340 AromaticContact CD1-CE1 3.76Å; F337-H340 AromaticContact CD1-NE2 3.72Å; F337-H340 WeakPolarHBondContact O-CB 3.19Å; F337-H340 PolarHBondContact O-N 2.87Å
338	L	97.5	Very high	97.7	Very high	10 Å²	10	62.4 Å²	62.4	5%	0.052	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-50.5	-42.6	-170	179.8	64.4	0	0	0	114	F157 A191 I195 F336 H340 F341 Y345	F157-L338 HydrophobicContact CE1-CD2 4.13Å; A191-L338 HydrophobicContact CB-CD1 4.29Å; I195-L338 HydrophobicContact CD1-CD1 3.83Å; F336-L338 HydrophobicContact CE1-CB 4.02Å; F336-L338 HydrophobicContact CE1-CD1 4.38Å; F336-L338 HydrophobicContact CZ-CB 4.41Å; F336-L338 HydrophobicContact CZ-CD1 4.13Å; L338-H340 PolarHBondContact O-N 2.91Å; L338-H340 VanDerWaalsContact O-N 3.09Å; L338-F341 PolarHBondContact O-N 3.23Å; L338-Y345 HydrophobicContact CD1-CD2 4.26Å; L338-Y345 HydrophobicContact CD2-CE2 4.35Å
339	P	95.4	Very high	97.6	Very high	24 Å²	24	56 Å²	56	16%	0.156	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-57.6	-23.2	177.1	-29.5	38.5	0	0	0	115.6	F337 F341	F337-P339 VanDerWaalsContact C-CD 3.47Å; F337-P339 VanDerWaalsContact C-N 3.33Å; F337-P339 HydrophobicContact CD1-CB 4.08Å; F337-P339 HydrophobicContact CD1-CG 4Å; F337-P339 HydrophobicContact CE1-CB 3.77Å; F337-P339 HydrophobicContact CE1-CG 3.52Å; F337-P339 HydrophobicContact CE2-CG 4.21Å; F337-P339 HydrophobicContact CZ-CB 4.38Å; F337-P339 HydrophobicContact CZ-CG 3.63Å; P339-F341 PolarHBondContact O-N 3.1Å
340	H	98.1	Very high	97.6	Very high	131 Å²	131	56.5 Å²	56.5	61%	0.606	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-76.5	-11	175.4	-62.3	162.4	0	0	0	113.5	F337 L338	F337-H340 AromaticContact CD1-CD2 3.97Å; F337-H340 AromaticContact CD1-CE1 3.76Å; F337-H340 AromaticContact CD1-NE2 3.72Å; F337-H340 WeakPolarHBondContact O-CB 3.19Å; F337-H340 PolarHBondContact O-N 2.87Å; L338-H340 PolarHBondContact O-N 2.91Å; L338-H340 VanDerWaalsContact O-N 3.09Å
341	F	97.9	Very high	97.5	Very high	46 Å²	46	53.5 Å²	53.5	20%	0.202	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-121.5	24.4	-175.2	-64.5	-94.6	0	0	0	112.8	I195 R199 L200 F336 L338 P339 G343 D344	I195-F341 HydrophobicContact CG2-CB 3.68Å; I195-F341 HydrophobicContact CG2-CD1 4.07Å; I195-F341 HydrophobicContact CG2-CG 3.99Å; R199-F341 HydrophobicContact CB-CD1 4.49Å; R199-F341 HydrophobicContact CB-CE1 4.07Å; R199-F341 HydrophobicContact CG-CD1 4.11Å; R199-F341 HydrophobicContact CG-CE1 4.14Å; L200-F341 HydrophobicContact CD2-CZ 4.48Å; F336-F341 AromaticContact CD2-CD2 3.88Å; F336-F341 HydrophobicContact CD2-CD2 3.88Å; F336-F341 AromaticContact CD2-CE2 3.69Å; F336-F341 HydrophobicContact CD2-CE2 3.69Å; F336-F341 HydrophobicContact CD2-CZ 4.28Å; F336-F341 HydrophobicContact CE2-CB 4.36Å; F336-F341 HydrophobicContact CE2-CD1 4.47Å; F336-F341 AromaticContact CE2-CD2 3.44Å; F336-F341 HydrophobicContact CE2-CD2 3.44Å; F336-F341 VanDerWaalsContact CE2-CD2 3.44Å; F336-F341 AromaticContact CE2-CE2 3.74Å; F336-F341 HydrophobicContact CE2-CE2 3.74Å; F336-F341 AromaticContact CE2-CG 3.85Å; F336-F341 HydrophobicContact CE2-CG 3.85Å; F336-F341 HydrophobicContact CE2-CZ 4.37Å; F336-F341 HydrophobicContact CZ-CD2 4.16Å; L338-F341 PolarHBondContact O-N 3.23Å; P339-F341 PolarHBondContact O-N 3.1Å; F341-G343 PolarHBondContact O-N 3.21Å; F341-D344 PolarHBondContact O-N 3.31Å
342	L	94.8	Very high	97.5	Very high	91 Å²	91	52.8 Å²	52.8	48%	0.476	30%	0.297	S	S	.	.	H	α-helix	trans	-59.8	-21.9	179.7	-67.3	177.8	0	0	0	113.6	D344 Y345	L342-D344 PolarHBondContact O-N 2.8Å; L342-Y345 HydrophobicContact CD2-CG 4.5Å; L342-Y345 VanDerWaalsContact O-CB 3.25Å; L342-Y345 WeakPolarHBondContact O-CB 3.28Å; L342-Y345 PolarHBondContact O-N 2.78Å
343	G	96.9	Very high	97.4	Very high	80 Å²	80	53.1 Å²	53.1	83%	0.825	30%	0.295	S	S	*	.	H	α-helix	trans	-61.9	-25.3	171.5	0	0	0	0	0	114.3	F341	F341-G343 PolarHBondContact O-N 3.21Å
344	D	97.5	Very high	97.4	Very high	26 Å²	26	55.7 Å²	55.7	14%	0.139	30%	0.303	C	S	.	.	H	α-helix	trans	-94	-9.3	178.5	-64.4	-38.8	0	0	0	113.1	I195 R199 F341 L342 K346 E347 A348	I195-D344 HydrophobicContact CD1-CB 4.12Å; I195-D344 HydrophobicContact CG1-CB 4.17Å; I195-D344 HydrophobicContact CG2-CB 4.04Å; R199-D344 IonicContact CZ-OD1 3.54Å; R199-D344 IonicContact CZ-OD2 2.88Å; R199-D344 IonicContact NE-OD1 2.65Å; R199-D344 PolarHBondContact NE-OD1 3.41Å; R199-D344 IonicContact NE-OD2 2.79Å; R199-D344 PolarHBondContact NE-OD2 2.74Å; R199-D344 IonicContact NH2-OD1 3.5Å; R199-D344 PolarHBondContact NH2-OD1 2.84Å; R199-D344 IonicContact NH2-OD2 2.85Å; F341-D344 PolarHBondContact O-N 3.31Å; L342-D344 PolarHBondContact O-N 2.8Å; D344-K346 PolarHBondContact O-N 2.96Å; D344-E347 PolarHBondContact O-N 2.94Å; D344-A348 WeakPolarHBondContact O-CB 3.35Å; D344-A348 PolarHBondContact O-N 3.34Å
345	Y	96.9	Very high	97.4	Very high	29 Å²	29	54 Å²	54	11%	0.114	30%	0.299	C	S	.	.	H	α-helix	trans	-65	-44.9	-166.6	-169.4	-108.1	0	0	0	113.2	I174 L187 A191 I195 L338 L342 E347 A348 L349	I174-Y345 HydrophobicContact CD1-CE1 4.04Å; L187-Y345 WeakPolarHBondContact CA-OH 3.4Å; L187-Y345 WeakPolarHBondContact O-CE2 3.39Å; L187-Y345 PolarHBondContact O-OH 2.91Å; A191-Y345 HydrophobicContact CB-CD2 3.85Å; A191-Y345 HydrophobicContact CB-CE2 3.45Å; A191-Y345 VanDerWaalsContact CB-CE2 3.45Å; I195-Y345 HydrophobicContact CD1-CD2 4.37Å; L338-Y345 HydrophobicContact CD1-CD2 4.26Å; L338-Y345 HydrophobicContact CD2-CE2 4.35Å; L342-Y345 HydrophobicContact CD2-CG 4.5Å; L342-Y345 VanDerWaalsContact O-CB 3.25Å; L342-Y345 WeakPolarHBondContact O-CB 3.28Å; L342-Y345 PolarHBondContact O-N 2.78Å; Y345-E347 VanDerWaalsContact C-N 3.35Å; Y345-E347 PolarHBondContact O-N 2.82Å; Y345-A348 PolarHBondContact O-N 3.34Å; Y345-L349 HydrophobicContact CD1-CD1 3.71Å; Y345-L349 HydrophobicContact CD1-CG 4.37Å; Y345-L349 HydrophobicContact CE1-CD1 3.21Å; Y345-L349 HydrophobicContact CE1-CG 4.05Å; Y345-L349 HydrophobicContact CE2-CD1 4.46Å; Y345-L349 PolarHBondContact O-N 3.45Å
346	K	95.7	Very high	97.4	Very high	169 Å²	169	53.3 Å²	53.3	74%	0.735	28%	0.278	S	S	*	.	H	α-helix	trans	-61.8	-42.9	179	-175.6	178.3	-179.3	177.9	0	112	D344 T350	D344-K346 PolarHBondContact O-N 2.96Å; K346-T350 WeakPolarHBondContact O-CB 3.26Å; K346-T350 PolarHBondContact O-N 3.39Å; K346-T350 PolarHBondContact O-OG1 3.18Å
347	E	97	Very high	97.2	Very high	92 Å²	92	56.7 Å²	56.7	43%	0.43	31%	0.309	S	S	.	.	H	α-helix	trans	-64.3	-46.8	177.8	-166.2	-146.2	135.3	0	0	110.6	K198 D344 Y345 T350 S351	K198-E347 IonicContact NZ-OE1 3.87Å; K198-E347 PolarHBondContact NZ-OE1 2.92Å; K198-E347 IonicContact NZ-OE2 2.81Å; K198-E347 PolarHBondContact NZ-OE2 2.75Å; D344-E347 PolarHBondContact O-N 2.94Å; Y345-E347 VanDerWaalsContact C-N 3.35Å; Y345-E347 PolarHBondContact O-N 2.82Å; E347-T350 PolarHBondContact O-N 2.91Å; E347-S351 WeakPolarHBondContact O-CB 3.31Å; E347-S351 PolarHBondContact O-N 3.15Å
348	A	97.9	Very high	97.2	Very high	1 Å²	1	60 Å²	60	1%	0.008	32%	0.323	C	S	.	.	H	α-helix	trans	-58.3	-50.9	178.3	0	0	0	0	0	111.8	Y194 I195 D344 Y345 T350 S351 M352	Y194-A348 HydrophobicContact CD1-CB 3.45Å; Y194-A348 VanDerWaalsContact CD1-CB 3.45Å; Y194-A348 HydrophobicContact CE1-CB 3.93Å; Y194-A348 HydrophobicContact CG-CB 4.08Å; I195-A348 HydrophobicContact CD1-CB 3.99Å; I195-A348 HydrophobicContact CG1-CB 3.71Å; D344-A348 WeakPolarHBondContact O-CB 3.35Å; D344-A348 PolarHBondContact O-N 3.34Å; Y345-A348 PolarHBondContact O-N 3.34Å; A348-T350 PolarHBondContact O-N 3.3Å; A348-S351 PolarHBondContact O-N 2.78Å; A348-M352 HydrophobicContact CB-CE 4.35Å; A348-M352 WeakPolarHBondContact O-CB 3.42Å; A348-M352 WeakPolarHBondContact O-CE 3.35Å; A348-M352 VanDerWaalsContact O-CG 3.29Å; A348-M352 WeakPolarHBondContact O-CG 3.37Å; A348-M352 PolarHBondContact O-N 3.33Å
349	L	97.3	Very high	97.2	Very high	8 Å²	8	62.6 Å²	62.6	4%	0.042	35%	0.353	C	S	.	.	H	α-helix	trans	-60.4	-45.4	178.5	-77.6	178.5	0	0	0	112.5	I174 L186 L187 Y345 S351 M352 M353	I174-L349 HydrophobicContact CD1-CD1 3.5Å; I174-L349 HydrophobicContact CG1-CD1 4Å; I174-L349 HydrophobicContact CG2-CD1 4.32Å; L186-L349 HydrophobicContact CB-CD2 4.19Å; L187-L349 HydrophobicContact CD2-CD2 4.31Å; Y345-L349 HydrophobicContact CD1-CD1 3.71Å; Y345-L349 HydrophobicContact CD1-CG 4.37Å; Y345-L349 HydrophobicContact CE1-CD1 3.21Å; Y345-L349 HydrophobicContact CE1-CG 4.05Å; Y345-L349 HydrophobicContact CE2-CD1 4.46Å; Y345-L349 PolarHBondContact O-N 3.45Å; L349-S351 VanDerWaalsContact C-N 3.33Å; L349-S351 PolarHBondContact O-N 2.95Å; L349-M352 HydrophobicContact CD2-CE 3.96Å; L349-M352 PolarHBondContact O-N 3.03Å; L349-M353 WeakPolarHBondContact O-CB 3.17Å; L349-M353 VanDerWaalsContact O-CG 3.3Å; L349-M353 WeakPolarHBondContact O-CG 3.48Å; L349-M353 PolarHBondContact O-N 3.03Å
350	T	97.1	Very high	97.3	Very high	66 Å²	66	65.8 Å²	65.8	41%	0.405	37%	0.366	S	S	.	.	H	α-helix	trans	-59.3	-47.1	179.6	-56.6	0	0	0	0	110.8	K346 E347 A348 Q354	K346-T350 WeakPolarHBondContact O-CB 3.26Å; K346-T350 PolarHBondContact O-N 3.39Å; K346-T350 PolarHBondContact O-OG1 3.18Å; E347-T350 PolarHBondContact O-N 2.91Å; A348-T350 PolarHBondContact O-N 3.3Å; T350-Q354 VanDerWaalsContact O-CG 3.3Å; T350-Q354 WeakPolarHBondContact O-CG 3.35Å; T350-Q354 PolarHBondContact O-N 3.01Å; T350-Q354 VanDerWaalsContact O-N 3.11Å
351	S	98.1	Very high	97.4	Very high	24 Å²	24	59.8 Å²	59.8	17%	0.168	34%	0.338	C	S	.	.	H	α-helix	trans	-60.8	-48.9	178.2	-173.5	0	0	0	0	111.6	Y194 E347 A348 L349 Q354 M355	Y194-S351 WeakPolarHBondContact OH-CB 3.28Å; Y194-S351 PolarHBondContact OH-OG 3.19Å; Y194-S351 VanDerWaalsContact OH-OG 3.04Å; E347-S351 WeakPolarHBondContact O-CB 3.31Å; E347-S351 PolarHBondContact O-N 3.15Å; A348-S351 PolarHBondContact O-N 2.78Å; L349-S351 VanDerWaalsContact C-N 3.33Å; L349-S351 PolarHBondContact O-N 2.95Å; S351-Q354 PolarHBondContact O-N 2.77Å; S351-M355 WeakPolarHBondContact O-CG 3.27Å; S351-M355 PolarHBondContact O-N 3.16Å; S351-M355 WeakPolarHBondContact OG-CE 3.35Å
352	M	98.4	Very high	97.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-66.5	-40.4	-179.4	-68.7	-175.4	-63.8	0	0	113	L186 A191 Y194 F225 A348 L349 Q354 M355 F356 L361	L186-M352 HydrophobicContact CB-CE 4.29Å; L186-M352 HydrophobicContact CD1-CB 4.23Å; L186-M352 HydrophobicContact CD2-CB 4.11Å; L186-M352 HydrophobicContact CD2-SD 4.34Å; L186-M352 WeakPolarHBondContact O-CE 3.35Å; A191-M352 HydrophobicContact CB-CE 4.17Å; Y194-M352 HydrophobicContact CD2-CG 4.02Å; Y194-M352 HydrophobicContact CD2-SD 4.49Å; Y194-M352 HydrophobicContact CG-CG 4.5Å; F225-M352 HydrophobicContact CE1-CG 4.37Å; F225-M352 HydrophobicContact CE2-SD 4.17Å; F225-M352 HydrophobicContact CZ-CG 3.78Å; F225-M352 HydrophobicContact CZ-SD 3.69Å; A348-M352 HydrophobicContact CB-CE 4.35Å; A348-M352 WeakPolarHBondContact O-CB 3.42Å; A348-M352 WeakPolarHBondContact O-CE 3.35Å; A348-M352 VanDerWaalsContact O-CG 3.29Å; A348-M352 WeakPolarHBondContact O-CG 3.37Å; A348-M352 PolarHBondContact O-N 3.33Å; L349-M352 HydrophobicContact CD2-CE 3.96Å; L349-M352 PolarHBondContact O-N 3.03Å; M352-Q354 VanDerWaalsContact C-N 3.3Å; M352-Q354 PolarHBondContact O-N 2.8Å; M352-M355 PolarHBondContact O-N 3.09Å; M352-F356 WeakPolarHBondContact O-CB 3.49Å; M352-F356 PolarHBondContact O-N 3.09Å; M352-L361 HydrophobicContact CB-CD2 4.15Å; M352-L361 HydrophobicContact CG-CD2 4.36Å
353	M	97.3	Very high	97.6	Very high	39 Å²	39	56.6 Å²	56.6	19%	0.192	33%	0.326	C	S	.	.	H	α-helix	trans	-61.8	-39.9	175.5	-75.1	-179.9	-171.8	0	0	111.6	I174 V176 L186 L349 F356 A357	I174-M353 HydrophobicContact CG2-CE 3.46Å; I174-M353 VanDerWaalsContact CG2-CE 3.46Å; V176-M353 HydrophobicContact CG1-CE 4Å; L186-M353 HydrophobicContact CD1-CG 4.01Å; L349-M353 WeakPolarHBondContact O-CB 3.17Å; L349-M353 VanDerWaalsContact O-CG 3.3Å; L349-M353 WeakPolarHBondContact O-CG 3.48Å; L349-M353 PolarHBondContact O-N 3.03Å; M353-F356 PolarHBondContact O-N 3.18Å; M353-A357 VanDerWaalsContact O-CB 3.26Å; M353-A357 WeakPolarHBondContact O-CB 3.46Å; M353-A357 PolarHBondContact O-N 3.24Å
354	Q	97.6	Very high	97.7	Very high	109 Å²	109	56.1 Å²	56.1	51%	0.509	30%	0.303	S	S	.	.	H	α-helix	trans	-64.9	-43.5	174.6	-72.2	174.7	-1.4	0	0	111.8	T350 S351 M352 A357 K358	T350-Q354 VanDerWaalsContact O-CG 3.3Å; T350-Q354 WeakPolarHBondContact O-CG 3.35Å; T350-Q354 PolarHBondContact O-N 3.01Å; T350-Q354 VanDerWaalsContact O-N 3.11Å; S351-Q354 PolarHBondContact O-N 2.77Å; M352-Q354 VanDerWaalsContact C-N 3.3Å; M352-Q354 PolarHBondContact O-N 2.8Å; Q354-A357 PolarHBondContact O-N 3.37Å; Q354-K358 VanDerWaalsContact O-CG 3.29Å; Q354-K358 WeakPolarHBondContact O-CG 2.97Å; Q354-K358 PolarHBondContact O-N 3.33Å; Q354-K358 VanDerWaalsContact O-N 3.09Å
355	M	98.4	Very high	97.7	Very high	35 Å²	35	56.2 Å²	56.2	17%	0.172	30%	0.304	C	S	.	.	H	α-helix	trans	-62.7	-43.5	176.6	-68.2	175.2	-172.7	0	0	111.7	Y194 F225 S351 M352 K358 G359 E360 L361	Y194-M355 HydrophobicContact CE2-CE 4.45Å; F225-M355 HydrophobicContact CE1-SD 4.19Å; S351-M355 WeakPolarHBondContact O-CG 3.27Å; S351-M355 PolarHBondContact O-N 3.16Å; S351-M355 WeakPolarHBondContact OG-CE 3.35Å; M352-M355 PolarHBondContact O-N 3.09Å; M355-K358 PolarHBondContact O-N 2.85Å; M355-G359 PolarHBondContact O-N 3.43Å; M355-E360 PolarHBondContact O-N 2.73Å; M355-L361 HydrophobicContact CB-CB 3.82Å; M355-L361 HydrophobicContact CB-CD2 4.48Å; M355-L361 PolarHBondContact O-N 3.23Å
356	F	97.8	Very high	97.8	Very high	48 Å²	48	55.7 Å²	55.7	21%	0.211	30%	0.304	C	S	.	.	H	α-helix	trans	-63.5	-46.4	177.1	179.3	-116.6	0	0	0	111.4	E182 F183 M352 M353 K358 G359 L361 C363	E182-F356 HydrophobicContact CB-CE1 3.94Å; E182-F356 HydrophobicContact CB-CE2 3.88Å; E182-F356 HydrophobicContact CB-CZ 3.32Å; E182-F356 HydrophobicContact CG-CE2 4.22Å; E182-F356 HydrophobicContact CG-CZ 3.83Å; F183-F356 HydrophobicContact CD1-CD1 4.14Å; F183-F356 HydrophobicContact CD1-CE1 4.22Å; F183-F356 AromaticContact CE1-CD1 3.67Å; F183-F356 HydrophobicContact CE1-CD1 3.67Å; F183-F356 AromaticContact CE1-CE1 3.77Å; F183-F356 HydrophobicContact CE1-CE1 3.77Å; F183-F356 HydrophobicContact CZ-CD1 4.22Å; F183-F356 AromaticContact CZ-CE1 3.91Å; F183-F356 HydrophobicContact CZ-CE1 3.91Å; M352-F356 WeakPolarHBondContact O-CB 3.49Å; M352-F356 PolarHBondContact O-N 3.09Å; M353-F356 PolarHBondContact O-N 3.18Å; F356-K358 PolarHBondContact O-N 2.67Å; F356-G359 PolarHBondContact O-N 2.88Å; F356-L361 WeakPolarHBondContact CD2-O 3.35Å; F356-C363 HydrophobicContact CD2-CB 3.98Å; F356-C363 WeakPolarHBondContact CD2-SG 3.31Å; F356-C363 HydrophobicContact CE2-CB 3.8Å
357	A	96.3	Very high	97.9	Very high	87 Å²	87	47.9 Å²	47.9	72%	0.719	27%	0.27	S	S	*	.	H	α-helix	trans	-61.1	-30.2	177.7	0	0	0	0	0	113.2	M353 Q354 G359	M353-A357 VanDerWaalsContact O-CB 3.26Å; M353-A357 WeakPolarHBondContact O-CB 3.46Å; M353-A357 PolarHBondContact O-N 3.24Å; Q354-A357 PolarHBondContact O-N 3.37Å; A357-G359 VanDerWaalsContact C-N 3.3Å
358	K	97.6	Very high	97.9	Very high	144 Å²	144	43.5 Å²	43.5	63%	0.626	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-0.9	175	-67.8	175.2	-177.3	-179.7	0	113.9	Q354 M355 F356 E360	Q354-K358 VanDerWaalsContact O-CG 3.29Å; Q354-K358 WeakPolarHBondContact O-CG 2.97Å; Q354-K358 PolarHBondContact O-N 3.33Å; Q354-K358 VanDerWaalsContact O-N 3.09Å; M355-K358 PolarHBondContact O-N 2.85Å; F356-K358 PolarHBondContact O-N 2.67Å; K358-E360 HydrophobicContact CB-CG 3.78Å; K358-E360 WeakPolarHBondContact CD-OE1 3.44Å; K358-E360 PolarHBondContact O-N 2.91Å
359	G	97.6	Very high	97.7	Very high	66 Å²	66	47.8 Å²	47.8	68%	0.68	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	16.4	-176	0	0	0	0	0	113.8	M355 F356 A357	M355-G359 PolarHBondContact O-N 3.43Å; F356-G359 PolarHBondContact O-N 2.88Å; A357-G359 VanDerWaalsContact C-N 3.3Å
360	E	98	Very high	97.3	Very high	91 Å²	91	55.4 Å²	55.4	43%	0.425	31%	0.31	S	S	.	.			trans	-95.7	-6.3	-177.2	-54.1	173.5	-170.2	0	0	112.5	R228 M355 K358	R228-E360 IonicContact CZ-OE2 3.3Å; R228-E360 PolarHBondContact NE-O 2.81Å; R228-E360 IonicContact NH1-OE2 2.9Å; R228-E360 PolarHBondContact NH1-OE2 2.87Å; R228-E360 PolarHBondContact NH2-O 3.42Å; R228-E360 IonicContact NH2-OE2 2.83Å; R228-E360 PolarHBondContact NH2-OE2 3.03Å; M355-E360 PolarHBondContact O-N 2.73Å; K358-E360 HydrophobicContact CB-CG 3.78Å; K358-E360 WeakPolarHBondContact CD-OE1 3.44Å; K358-E360 PolarHBondContact O-N 2.91Å
361	L	98.7	Very high	97	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.021	30%	0.298	C	S	.	.	S	Bend	trans	-125.3	120	175.7	-170.3	69.8	0	0	0	108.5	L186 F221 Q224 F225 M352 M355 F356	L186-L361 HydrophobicContact CD2-CD2 3.96Å; F221-L361 HydrophobicContact CD1-CD1 4.08Å; F221-L361 HydrophobicContact CD1-CD2 4.12Å; F221-L361 HydrophobicContact CD1-CG 4.21Å; F221-L361 HydrophobicContact CE1-CD1 4.47Å; F221-L361 HydrophobicContact CE1-CD2 3.98Å; F221-L361 HydrophobicContact CE1-CG 4.11Å; Q224-L361 HydrophobicContact CB-CD1 4.12Å; F225-L361 HydrophobicContact CD1-CD1 4.38Å; F225-L361 HydrophobicContact CE1-CD1 3.65Å; F225-L361 HydrophobicContact CE1-CD2 4.29Å; F225-L361 HydrophobicContact CZ-CD1 4.14Å; F225-L361 HydrophobicContact CZ-CD2 4.29Å; M352-L361 HydrophobicContact CB-CD2 4.15Å; M352-L361 HydrophobicContact CG-CD2 4.36Å; M355-L361 HydrophobicContact CB-CB 3.82Å; M355-L361 HydrophobicContact CB-CD2 4.48Å; M355-L361 PolarHBondContact O-N 3.23Å; F356-L361 WeakPolarHBondContact CD2-O 3.35Å
362	V	98.8	Very high	96.5	Very high	59 Å²	59	62.2 Å²	62.2	36%	0.358	34%	0.336	S	S	.	.			trans	-80.7	126.1	172.4	179.5	0	0	0	0	108.4	Q224 F245 I249	Q224-V362 PolarHBondContact NE2-O 2.98Å; F245-V362 HydrophobicContact CE2-CG1 4.29Å; I249-V362 HydrophobicContact CG2-CB 4Å; I249-V362 HydrophobicContact CG2-CG1 4.12Å; I249-V362 HydrophobicContact CG2-CG2 4.12Å
363	C	98.7	Very high	96	Very high	11 Å²	11	69 Å²	69	7%	0.074	37%	0.368	C	S	.	.			trans	-116.1	77.1	178.9	-65.6	0	0	0	0	109	E182 F221 F356 V365	E182-C363 HydrophobicContact CB-CB 3.93Å; E182-C363 HydrophobicContact CG-CB 4.28Å; F221-C363 HydrophobicContact CZ-CB 4.38Å; F356-C363 HydrophobicContact CD2-CB 3.98Å; F356-C363 WeakPolarHBondContact CD2-SG 3.31Å; F356-C363 HydrophobicContact CE2-CB 3.8Å; C363-V365 PolarHBondContact O-N 2.99Å
364	E	98.7	Very high	95.8	Very high	70 Å²	70	68.3 Å²	68.3	33%	0.327	37%	0.37	S	S	.	.			trans	-71.2	129.5	-175.8	-164.3	65.9	-151.6	0	0	110.9	Q220 F245 L395 K397	Q220-E364 PolarHBondContact NE2-O 3.04Å; F245-E364 HydrophobicContact CD2-CG 4.42Å; F245-E364 HydrophobicContact CE2-CB 3.74Å; F245-E364 HydrophobicContact CE2-CG 3.77Å; F245-E364 HydrophobicContact CZ-CB 3.64Å; F245-E364 HydrophobicContact CZ-CG 3.99Å; E364-L395 HydrophobicContact CG-CD2 3.47Å; E364-L395 VanDerWaalsContact CG-CD2 3.47Å; E364-K397 PolarHBondContact O-N 3.49Å
365	V	98.8	Very high	95.8	Very high	29 Å²	29	67.7 Å²	67.7	18%	0.176	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.1	-177.5	174.5	0	0	0	0	108.7	P181 E182 T185 C363 C367 V399	P181-V365 HydrophobicContact CB-CG1 3.9Å; P181-V365 HydrophobicContact CB-CG2 4.09Å; P181-V365 HydrophobicContact CG-CG1 4.1Å; P181-V365 HydrophobicContact CG-CG2 4.27Å; E182-V365 HydrophobicContact CG-CG2 4.12Å; T185-V365 HydrophobicContact CG2-CG2 3.54Å; C363-V365 PolarHBondContact O-N 2.99Å; V365-C367 VanDerWaalsContact CG1-SG 3.57Å; V365-V399 HydrophobicContact CG1-CB 3.97Å; V365-V399 HydrophobicContact CG1-CG2 3.84Å
366	D	98.6	Very high	95.8	Very high	18 Å²	18	66.1 Å²	66.1	10%	0.096	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	100.9	173.2	-161.6	-35.2	0	0	0	109.6	G368 Y388 N394 L395 K397 V398 V399	D366-G368 VanDerWaalsContact C-N 3.29Å; D366-G368 WeakPolarHBondContact OD1-CA 3.39Å; D366-G368 PolarHBondContact OD1-N 2.86Å; D366-Y388 WeakPolarHBondContact OD2-CE1 3.34Å; D366-Y388 PolarHBondContact OD2-OH 3.34Å; D366-N394 HydrophobicContact CB-CB 4.47Å; D366-N394 WeakPolarHBondContact OD2-CA 3.39Å; D366-L395 WeakPolarHBondContact CB-O 3.43Å; D366-L395 PolarHBondContact OD2-N 3.05Å; D366-K397 PolarHBondContact N-O 3.2Å; D366-V398 WeakPolarHBondContact O-CA 3.39Å; D366-V399 PolarHBondContact O-N 3.34Å
367	C	97.8	Very high	95.7	Very high	5 Å²	5	66.7 Å²	66.7	3%	0.034	36%	0.363	C	S	.	.			trans	-90.7	9.7	173.9	-71	0	0	0	0	112.4	V365 D369 R375 F376	V365-C367 VanDerWaalsContact CG1-SG 3.57Å; C367-D369 VanDerWaalsContact C-N 3.3Å; C367-D369 WeakPolarHBondContact CB-OD2 3.08Å; C367-D369 PolarHBondContact O-N 2.85Å; C367-R375 HydrophobicContact CB-CG 4.04Å; C367-R375 CarbonylContact O-C 3.58Å; C367-R375 VanDerWaalsContact O-CA 3.3Å; C367-R375 WeakPolarHBondContact O-CA 3.38Å; C367-R375 WeakPolarHBondContact O-CG 3.32Å; C367-F376 VanDerWaalsContact O-CD2 3.29Å; C367-F376 WeakPolarHBondContact O-CD2 3.35Å; C367-F376 PolarHBondContact O-N 2.97Å
368	G	96.9	Very high	95.8	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.336	C	S	.	.	S	Bend	trans	74.6	16.2	178.3	0	0	0	0	0	114.9	D366 M370 T371 G374	D366-G368 VanDerWaalsContact C-N 3.29Å; D366-G368 WeakPolarHBondContact OD1-CA 3.39Å; D366-G368 PolarHBondContact OD1-N 2.86Å; G368-M370 PolarHBondContact O-N 2.96Å; G368-M370 VanDerWaalsContact O-N 3.12Å; G368-T371 WeakPolarHBondContact O-CB 3.25Å; G368-T371 VanDerWaalsContact O-CG2 3.26Å; G368-T371 WeakPolarHBondContact O-CG2 3.42Å; G368-T371 PolarHBondContact O-N 3.37Å; G368-T371 PolarHBondContact O-OG1 2.82Å; G368-G374 CarbonylContact O-C 3.57Å; G368-G374 VanDerWaalsContact O-O 3.1Å
369	D	93.3	Very high	95.8	Very high	91 Å²	91	56.5 Å²	56.5	49%	0.487	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-29.4	-178.2	-55.7	-78	0	0	0	112.2	C367 R375	C367-D369 VanDerWaalsContact C-N 3.3Å; C367-D369 WeakPolarHBondContact CB-OD2 3.08Å; C367-D369 PolarHBondContact O-N 2.85Å; D369-R375 WeakPolarHBondContact OD1-CD 3.42Å; D369-R375 WeakPolarHBondContact OD1-CG 3.43Å; D369-R375 IonicContact OD1-NH1 3.88Å; D369-R375 PolarHBondContact OD1-NH1 3.28Å; D369-R375 IonicContact OD2-NH1 3.71Å
370	M	88.8	Confident	95.7	Very high	168 Å²	168	57.5 Å²	57.5	83%	0.828	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	4.7	178.1	-58.5	-57.9	-69.1	0	0	114	G368	G368-M370 PolarHBondContact O-N 2.96Å; G368-M370 VanDerWaalsContact O-N 3.12Å
371	T	90.9	Very high	95.7	Very high	26 Å²	26	53.3 Å²	53.3	16%	0.16	27%	0.274	C	S	.	.	S	Bend	trans	-80.6	157.9	176.5	79.8	0	0	0	0	111.7	G368 E373 G374 F376 Y388	G368-T371 WeakPolarHBondContact O-CB 3.25Å; G368-T371 VanDerWaalsContact O-CG2 3.26Å; G368-T371 WeakPolarHBondContact O-CG2 3.42Å; G368-T371 PolarHBondContact O-N 3.37Å; G368-T371 PolarHBondContact O-OG1 2.82Å; T371-E373 PolarHBondContact O-N 3.23Å; T371-G374 PolarHBondContact O-N 2.82Å; T371-G374 PolarHBondContact OG1-N 3.23Å; T371-G374 PolarHBondContact OG1-O 2.66Å; T371-F376 HydrophobicContact CG2-CE1 4.1Å; T371-F376 HydrophobicContact CG2-CZ 3.76Å; T371-Y388 HydrophobicContact CG2-CD2 3.63Å; T371-Y388 HydrophobicContact CG2-CE2 3.47Å; T371-Y388 VanDerWaalsContact CG2-CE2 3.47Å; T371-Y388 HydrophobicContact CG2-CG 4.38Å
372	Q	87	Confident	95.7	Very high	207 Å²	207	53.1 Å²	53.1	97%	0.967	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-33.1	178.7	-70.7	178.2	-15.8	0	0	113.2	G374	Q372-G374 VanDerWaalsContact C-N 3.3Å
373	E	89.2	Confident	95.7	Very high	143 Å²	143	51.5 Å²	51.5	67%	0.668	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	7.7	178.7	-66	176	-95.2	0	0	112.3	T371 R384	T371-E373 PolarHBondContact O-N 3.23Å; E373-R384 WeakPolarHBondContact OE1-CD 3.32Å; E373-R384 WeakPolarHBondContact OE2-CD 3.34Å; E373-R384 IonicContact OE2-NE 2.7Å
374	G	92.7	Very high	95.6	Very high	23 Å²	23	53.1 Å²	53.1	24%	0.237	27%	0.266	C	S	.	.			trans	69.1	-168.4	-179.6	0	0	0	0	0	114.5	G368 T371 Q372	G368-G374 CarbonylContact O-C 3.57Å; G368-G374 VanDerWaalsContact O-O 3.1Å; T371-G374 PolarHBondContact O-N 2.82Å; T371-G374 PolarHBondContact OG1-N 3.23Å; T371-G374 PolarHBondContact OG1-O 2.66Å; Q372-G374 VanDerWaalsContact C-N 3.3Å
375	R	96.9	Very high	95.6	Very high	97 Å²	97	49.8 Å²	49.8	37%	0.366	25%	0.25	S	S	.	.	S	Bend	trans	-49.3	143.7	-175.9	-168.8	-179.1	176.6	107.6	-7.9	113	C367 D369 V377 E401	C367-R375 HydrophobicContact CB-CG 4.04Å; C367-R375 CarbonylContact O-C 3.58Å; C367-R375 VanDerWaalsContact O-CA 3.3Å; C367-R375 WeakPolarHBondContact O-CA 3.38Å; C367-R375 WeakPolarHBondContact O-CG 3.32Å; D369-R375 WeakPolarHBondContact OD1-CD 3.42Å; D369-R375 WeakPolarHBondContact OD1-CG 3.43Å; D369-R375 IonicContact OD1-NH1 3.88Å; D369-R375 PolarHBondContact OD1-NH1 3.28Å; D369-R375 IonicContact OD2-NH1 3.71Å; R375-V377 HydrophobicContact CB-CG2 4.18Å; R375-V377 HydrophobicContact CG-CG2 3.93Å; R375-V377 PolarHBondContact O-N 2.9Å; R375-V377 VanDerWaalsContact O-N 3.08Å; R375-E401 IonicContact CZ-OE2 3.83Å; R375-E401 VanDerWaalsContact CZ-OE2 3.3Å; R375-E401 IonicContact NE-OE2 3.4Å; R375-E401 PolarHBondContact NE-OE2 3.25Å; R375-E401 IonicContact NH2-OE2 2.85Å; R375-E401 PolarHBondContact NH2-OE2 2.97Å
376	F	98.2	Very high	95.6	Very high	1 Å²	1	48.6 Å²	48.6	0%	0.004	24%	0.243	C	C	.	.			trans	-77.5	91.5	175.3	-54.2	-51.2	0	0	0	110.6	C367 T371 S381 R384 A385 Y388 V398 V400 E401	C367-F376 VanDerWaalsContact O-CD2 3.29Å; C367-F376 WeakPolarHBondContact O-CD2 3.35Å; C367-F376 PolarHBondContact O-N 2.97Å; T371-F376 HydrophobicContact CG2-CE1 4.1Å; T371-F376 HydrophobicContact CG2-CZ 3.76Å; F376-S381 WeakPolarHBondContact CA-OG 3.19Å; F376-R384 HydrophobicContact CE1-CB 4.31Å; F376-A385 HydrophobicContact CD1-CB 4.05Å; F376-A385 HydrophobicContact CD2-CB 3.92Å; F376-A385 HydrophobicContact CE1-CB 4.19Å; F376-A385 HydrophobicContact CE2-CB 4.06Å; F376-A385 HydrophobicContact CG-CB 3.93Å; F376-A385 HydrophobicContact CZ-CB 4.21Å; F376-Y388 AromaticContact CE2-CD1 3.99Å; F376-Y388 HydrophobicContact CE2-CD1 3.99Å; F376-Y388 HydrophobicContact CE2-CE1 4.42Å; F376-Y388 HydrophobicContact CE2-CG 4.4Å; F376-Y388 AromaticContact CZ-CD1 3.78Å; F376-Y388 HydrophobicContact CZ-CD1 3.78Å; F376-Y388 HydrophobicContact CZ-CD2 4.28Å; F376-Y388 HydrophobicContact CZ-CE1 4.4Å; F376-Y388 AromaticContact CZ-CG 3.72Å; F376-Y388 HydrophobicContact CZ-CG 3.72Å; F376-V398 HydrophobicContact CD2-CG1 4.24Å; F376-V398 HydrophobicContact CE2-CG1 3.99Å; F376-V400 HydrophobicContact CB-CB 4.45Å; F376-V400 HydrophobicContact CB-CG2 3.94Å; F376-E401 PolarHBondContact O-N 3.46Å
377	V	97.1	Very high	95.6	Very high	61 Å²	61	51 Å²	51	37%	0.37	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-116.9	136.5	177.8	-175.4	0	0	0	0	110.5	R375 S381 E401 P404	R375-V377 HydrophobicContact CB-CG2 4.18Å; R375-V377 HydrophobicContact CG-CG2 3.93Å; R375-V377 PolarHBondContact O-N 2.9Å; R375-V377 VanDerWaalsContact O-N 3.08Å; V377-S381 PolarHBondContact N-OG 3.2Å; V377-S381 WeakPolarHBondContact O-CB 3.32Å; V377-S381 PolarHBondContact O-OG 3.3Å; V377-E401 CarbonylContact C-O 3.21Å; V377-E401 WeakPolarHBondContact CA-O 3.01Å; V377-E401 HydrophobicContact CG2-CB 4.48Å; V377-P404 HydrophobicContact CG1-CG 4.18Å
378	G	96.9	Very high	95.6	Very high	14 Å²	14	52.3 Å²	52.3	14%	0.144	26%	0.26	C	S	.	.	S	Bend	trans	80.2	157.6	-177.5	0	0	0	0	0	113.2	E380 S381 V400 E401	G378-E380 PolarHBondContact O-N 3.46Å; G378-S381 WeakPolarHBondContact O-CB 3.13Å; G378-S381 PolarHBondContact O-N 3.27Å; G378-S381 PolarHBondContact O-OG 3.43Å; G378-V400 WeakPolarHBondContact O-CG1 3.46Å; G378-E401 PolarHBondContact N-O 2.9Å
379	L	97.3	Very high	95.7	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.016	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-28	-179.2	-69.7	175	0	0	0	112.8	K68 L70 F162 E164 S381 V382 V402	K68-L379 HydrophobicContact CB-CD1 3.81Å; K68-L379 VanDerWaalsContact O-CD1 3.28Å; K68-L379 WeakPolarHBondContact O-CD1 3.22Å; L70-L379 HydrophobicContact CD2-CB 4.41Å; L70-L379 HydrophobicContact CG-CB 4.45Å; F162-L379 HydrophobicContact CB-CD2 4.44Å; E164-L379 HydrophobicContact CG-CD1 4.16Å; L379-S381 PolarHBondContact O-N 2.79Å; L379-V382 VanDerWaalsContact O-CB 3.26Å; L379-V382 WeakPolarHBondContact O-CB 3.31Å; L379-V382 VanDerWaalsContact O-CG2 3.25Å; L379-V382 WeakPolarHBondContact O-CG2 3.49Å; L379-V382 PolarHBondContact O-N 2.62Å; L379-V382 VanDerWaalsContact O-N 3.17Å; L379-V402 HydrophobicContact CD2-CG1 3.95Å; L379-V402 HydrophobicContact CD2-CG2 4.02Å; L379-V402 HydrophobicContact CG-CG1 4.06Å
380	E	96.5	Very high	95.9	Very high	86 Å²	86	50.8 Å²	50.8	40%	0.402	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-26.2	174.8	-64.5	82.3	173	0	0	112.1	K68 V85 G378 V382 F383	K68-E380 IonicContact NZ-OE1 2.72Å; K68-E380 PolarHBondContact NZ-OE1 3.28Å; V85-E380 HydrophobicContact CG2-CG 4.3Å; G378-E380 PolarHBondContact O-N 3.46Å; E380-V382 VanDerWaalsContact C-N 3.3Å; E380-V382 PolarHBondContact O-N 2.75Å; E380-F383 WeakPolarHBondContact O-CD2 3.26Å
381	S	97.9	Very high	96.3	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-76.5	-15.3	177.4	73.9	0	0	0	0	113.6	F376 V377 G378 L379 F383 R384 A385 V400	F376-S381 WeakPolarHBondContact CA-OG 3.19Å; V377-S381 PolarHBondContact N-OG 3.2Å; V377-S381 WeakPolarHBondContact O-CB 3.32Å; V377-S381 PolarHBondContact O-OG 3.3Å; G378-S381 WeakPolarHBondContact O-CB 3.13Å; G378-S381 PolarHBondContact O-N 3.27Å; G378-S381 PolarHBondContact O-OG 3.43Å; L379-S381 PolarHBondContact O-N 2.79Å; S381-F383 PolarHBondContact O-N 3.38Å; S381-R384 PolarHBondContact O-N 3.15Å; S381-R384 VanDerWaalsContact O-N 3.09Å; S381-A385 WeakPolarHBondContact O-CB 3.42Å; S381-A385 PolarHBondContact O-N 3.28Å; S381-V400 VanDerWaalsContact OG-CG1 3.24Å; S381-V400 WeakPolarHBondContact OG-CG1 3.43Å
382	V	98.6	Very high	96.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-55	-41.1	175.5	173.3	0	0	0	0	111.1	L70 F79 I107 F162 L379 E380 R384 A385 V386 V400	L70-V382 HydrophobicContact CD1-CB 3.66Å; L70-V382 HydrophobicContact CD1-CG1 3.61Å; L70-V382 HydrophobicContact CD1-CG2 3.93Å; F79-V382 HydrophobicContact CE1-CG1 3.84Å; F79-V382 HydrophobicContact CZ-CG1 4Å; I107-V382 HydrophobicContact CD1-CB 4.41Å; I107-V382 HydrophobicContact CD1-CG1 3.83Å; I107-V382 HydrophobicContact CD1-CG2 4.33Å; F162-V382 HydrophobicContact CD1-CG2 4.49Å; F162-V382 HydrophobicContact CD2-CG1 3.85Å; F162-V382 HydrophobicContact CE1-CG1 4.47Å; F162-V382 HydrophobicContact CE2-CG1 3.63Å; F162-V382 HydrophobicContact CG-CG1 4.37Å; F162-V382 HydrophobicContact CZ-CG1 3.97Å; L379-V382 VanDerWaalsContact O-CB 3.26Å; L379-V382 WeakPolarHBondContact O-CB 3.31Å; L379-V382 VanDerWaalsContact O-CG2 3.25Å; L379-V382 WeakPolarHBondContact O-CG2 3.49Å; L379-V382 PolarHBondContact O-N 2.62Å; L379-V382 VanDerWaalsContact O-N 3.17Å; E380-V382 VanDerWaalsContact C-N 3.3Å; E380-V382 PolarHBondContact O-N 2.75Å; V382-R384 PolarHBondContact O-N 3.37Å; V382-A385 PolarHBondContact O-N 2.96Å; V382-V386 HydrophobicContact CG1-CG2 4.38Å; V382-V386 WeakPolarHBondContact O-CG2 3.39Å; V382-V386 PolarHBondContact O-N 3.4Å; V382-V400 HydrophobicContact CG2-CB 4.34Å; V382-V400 HydrophobicContact CG2-CG1 4.12Å; V382-V400 HydrophobicContact CG2-CG2 4.02Å
383	F	98.5	Very high	97.1	Very high	25 Å²	25	42.1 Å²	42.1	11%	0.11	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-45.5	178.4	-61.8	-83.1	0	0	0	111.9	L70 F79 R80 V83 V85 E380 S381 V386 D387	L70-F383 HydrophobicContact CD1-CE2 4.44Å; L70-F383 HydrophobicContact CD2-CE2 3.87Å; L70-F383 HydrophobicContact CD2-CZ 3.98Å; F79-F383 AromaticContact CD1-CD1 3.74Å; F79-F383 HydrophobicContact CD1-CD1 3.74Å; F79-F383 HydrophobicContact CD1-CE1 4.12Å; F79-F383 AromaticContact CE1-CD1 3.94Å; F79-F383 HydrophobicContact CE1-CD1 3.94Å; F79-F383 HydrophobicContact CE1-CE1 4.09Å; R80-F383 HydrophobicContact CG-CB 4.39Å; R80-F383 HydrophobicContact CG-CD1 4Å; V83-F383 HydrophobicContact CB-CE1 4.03Å; V83-F383 HydrophobicContact CB-CZ 4.44Å; V83-F383 HydrophobicContact CG1-CE1 4.26Å; V83-F383 HydrophobicContact CG1-CZ 4.22Å; V83-F383 WeakPolarHBondContact O-CE1 3.31Å; V85-F383 HydrophobicContact CG2-CE2 3.92Å; V85-F383 HydrophobicContact CG2-CZ 4.42Å; E380-F383 WeakPolarHBondContact O-CD2 3.26Å; S381-F383 PolarHBondContact O-N 3.38Å; F383-V386 PolarHBondContact O-N 3.11Å; F383-D387 PolarHBondContact O-N 3.14Å; F383-D387 VanDerWaalsContact O-N 3.13Å
384	R	97.9	Very high	97.5	Very high	46 Å²	46	36.1 Å²	36.1	17%	0.174	19%	0.193	C	C	.	.	H	α-helix	trans	-68.7	-35.8	177.2	-60.9	-170.1	-63.7	104.4	-5.2	111.8	E373 F376 S381 V382 D387 Y388	E373-R384 WeakPolarHBondContact OE1-CD 3.32Å; E373-R384 WeakPolarHBondContact OE2-CD 3.34Å; E373-R384 IonicContact OE2-NE 2.7Å; F376-R384 HydrophobicContact CE1-CB 4.31Å; S381-R384 PolarHBondContact O-N 3.15Å; S381-R384 VanDerWaalsContact O-N 3.09Å; V382-R384 PolarHBondContact O-N 3.37Å; R384-D387 PolarHBondContact O-N 2.83Å; R384-Y388 WeakPolarHBondContact O-CB 3.45Å; R384-Y388 PolarHBondContact O-N 2.74Å
385	A	98.6	Very high	97.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.8	-37.5	178.7	0	0	0	0	0	112	I107 F376 S381 V382 Y388 M389 V398 V400	I107-A385 HydrophobicContact CD1-CB 4.37Å; I107-A385 HydrophobicContact CG1-CB 3.79Å; F376-A385 HydrophobicContact CD1-CB 4.05Å; F376-A385 HydrophobicContact CD2-CB 3.92Å; F376-A385 HydrophobicContact CE1-CB 4.19Å; F376-A385 HydrophobicContact CE2-CB 4.06Å; F376-A385 HydrophobicContact CG-CB 3.93Å; F376-A385 HydrophobicContact CZ-CB 4.21Å; S381-A385 WeakPolarHBondContact O-CB 3.42Å; S381-A385 PolarHBondContact O-N 3.28Å; V382-A385 PolarHBondContact O-N 2.96Å; A385-Y388 PolarHBondContact O-N 2.63Å; A385-M389 PolarHBondContact O-N 3.3Å; A385-V398 HydrophobicContact CB-CG1 3.84Å; A385-V400 HydrophobicContact CB-CG2 3.79Å
386	V	98.6	Very high	97.9	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.024	17%	0.17	C	C	.	.	H	α-helix	trans	-62.1	-50.3	170.2	171.6	0	0	0	0	110.4	F79 I107 I112 V382 F383 Y388 M389 Y390	F79-V386 HydrophobicContact CB-CG1 4.01Å; F79-V386 HydrophobicContact CD1-CB 4.35Å; F79-V386 HydrophobicContact CD1-CG1 4.45Å; F79-V386 HydrophobicContact CD1-CG2 4.01Å; F79-V386 HydrophobicContact CE1-CG2 4.1Å; F79-V386 HydrophobicContact CG-CG1 4.17Å; F79-V386 HydrophobicContact CG-CG2 4.25Å; F79-V386 HydrophobicContact CZ-CG2 4.39Å; I107-V386 HydrophobicContact CG2-CG2 3.75Å; I112-V386 HydrophobicContact CG2-CG1 3.92Å; V382-V386 HydrophobicContact CG1-CG2 4.38Å; V382-V386 WeakPolarHBondContact O-CG2 3.39Å; V382-V386 PolarHBondContact O-N 3.4Å; F383-V386 PolarHBondContact O-N 3.11Å; V386-Y388 VanDerWaalsContact C-N 3.28Å; V386-Y388 PolarHBondContact O-N 2.95Å; V386-M389 PolarHBondContact O-N 2.74Å; V386-Y390 HydrophobicContact CG1-CD2 4Å; V386-Y390 HydrophobicContact CG1-CE2 4.29Å; V386-Y390 WeakPolarHBondContact O-CD2 3.36Å; V386-Y390 PolarHBondContact O-N 3.35Å
387	D	98.1	Very high	97.9	Very high	68 Å²	68	31.6 Å²	31.6	36%	0.364	17%	0.171	S	C	.	.	H	α-helix	trans	-58.9	-41.3	177.3	-66.4	-20.3	0	0	0	112	R80 F383 R384 M389 Y390 A391	R80-D387 IonicContact CZ-OD2 3.72Å; R80-D387 IonicContact NE-OD1 2.96Å; R80-D387 IonicContact NE-OD2 3.45Å; R80-D387 PolarHBondContact NE-OD2 3.08Å; R80-D387 IonicContact NH2-OD2 3.44Å; R80-D387 PolarHBondContact NH2-OD2 2.92Å; F383-D387 PolarHBondContact O-N 3.14Å; F383-D387 VanDerWaalsContact O-N 3.13Å; R384-D387 PolarHBondContact O-N 2.83Å; D387-M389 PolarHBondContact O-N 3.25Å; D387-Y390 PolarHBondContact O-N 3.48Å; D387-A391 VanDerWaalsContact O-CB 3.28Å; D387-A391 WeakPolarHBondContact O-CB 3.2Å; D387-A391 PolarHBondContact O-N 3.26Å
388	Y	98.3	Very high	98	Very high	33 Å²	33	28.8 Å²	28.8	13%	0.129	15%	0.153	C	C	.	.	H	α-helix	trans	-62.1	-41.5	179.2	179.4	-102	0	0	0	112.4	D366 T371 F376 R384 A385 V386 G392 K393 N394 V398	D366-Y388 WeakPolarHBondContact OD2-CE1 3.34Å; D366-Y388 PolarHBondContact OD2-OH 3.34Å; T371-Y388 HydrophobicContact CG2-CD2 3.63Å; T371-Y388 HydrophobicContact CG2-CE2 3.47Å; T371-Y388 VanDerWaalsContact CG2-CE2 3.47Å; T371-Y388 HydrophobicContact CG2-CG 4.38Å; F376-Y388 AromaticContact CE2-CD1 3.99Å; F376-Y388 HydrophobicContact CE2-CD1 3.99Å; F376-Y388 HydrophobicContact CE2-CE1 4.42Å; F376-Y388 HydrophobicContact CE2-CG 4.4Å; F376-Y388 AromaticContact CZ-CD1 3.78Å; F376-Y388 HydrophobicContact CZ-CD1 3.78Å; F376-Y388 HydrophobicContact CZ-CD2 4.28Å; F376-Y388 HydrophobicContact CZ-CE1 4.4Å; F376-Y388 AromaticContact CZ-CG 3.72Å; F376-Y388 HydrophobicContact CZ-CG 3.72Å; R384-Y388 WeakPolarHBondContact O-CB 3.45Å; R384-Y388 PolarHBondContact O-N 2.74Å; A385-Y388 PolarHBondContact O-N 2.63Å; V386-Y388 VanDerWaalsContact C-N 3.28Å; V386-Y388 PolarHBondContact O-N 2.95Å; Y388-G392 PolarHBondContact O-N 3.25Å; Y388-K393 HydrophobicContact CD1-CB 4.49Å; Y388-K393 HydrophobicContact CD2-CB 3.58Å; Y388-K393 HydrophobicContact CD2-CD 3.7Å; Y388-K393 HydrophobicContact CD2-CG 4.25Å; Y388-K393 HydrophobicContact CE1-CB 4.19Å; Y388-K393 HydrophobicContact CE2-CB 3.2Å; Y388-K393 HydrophobicContact CE2-CD 3.76Å; Y388-K393 HydrophobicContact CE2-CG 4.11Å; Y388-K393 HydrophobicContact CG-CB 4.2Å; Y388-K393 PolarHBondContact O-N 2.95Å; Y388-K393 PolarHBondContact OH-O 3.49Å; Y388-N394 HydrophobicContact CD1-CB 3.89Å; Y388-N394 HydrophobicContact CE1-CB 3.44Å; Y388-N394 VanDerWaalsContact CE1-CB 3.44Å; Y388-V398 HydrophobicContact CD1-CG2 4.34Å
389	M	98.3	Very high	98.1	Very high	21 Å²	21	28.1 Å²	28.1	10%	0.103	15%	0.147	C	C	.	.	H	α-helix	trans	-64	-47.2	173.4	-176	-177.2	-62.7	0	0	111.6	I107 A109 A385 V386 D387 A391 G392 V398	I107-M389 HydrophobicContact CB-CE 3.86Å; I107-M389 HydrophobicContact CG2-CE 3.6Å; I107-M389 WeakPolarHBondContact O-CE 3.43Å; A109-M389 HydrophobicContact CB-SD 4.1Å; A109-M389 PolarHBondContact N-SD 2.76Å; A109-M389 VanDerWaalsContact N-SD 3.43Å; A385-M389 PolarHBondContact O-N 3.3Å; V386-M389 PolarHBondContact O-N 2.74Å; D387-M389 PolarHBondContact O-N 3.25Å; M389-A391 VanDerWaalsContact C-N 3.31Å; M389-A391 PolarHBondContact O-N 3.44Å; M389-G392 WeakPolarHBondContact O-CA 3.41Å; M389-G392 PolarHBondContact O-N 2.95Å; M389-V398 HydrophobicContact CB-CG2 4.37Å; M389-V398 HydrophobicContact CE-CB 3.85Å; M389-V398 HydrophobicContact CE-CG2 3.85Å
390	Y	98.1	Very high	98.1	Very high	37 Å²	37	28 Å²	28	15%	0.145	15%	0.146	C	C	.	.	H	α-helix	trans	-70.6	-25.8	-179.4	-87	-78.6	0	0	0	113.7	A109 I112 I305 Y308 Q309 V386 D387 G392	A109-Y390 PolarHBondContact O-OH 3.18Å; I112-Y390 HydrophobicContact CD1-CE1 3.8Å; I112-Y390 HydrophobicContact CD1-CE2 3.78Å; I112-Y390 WeakPolarHBondContact CD1-OH 3.22Å; I112-Y390 HydrophobicContact CG1-CE2 4.16Å; I112-Y390 WeakPolarHBondContact CG1-OH 3.45Å; I112-Y390 HydrophobicContact CG2-CE2 3.84Å; I305-Y390 HydrophobicContact CD1-CE1 4.17Å; I305-Y390 HydrophobicContact CG1-CD1 4.4Å; I305-Y390 HydrophobicContact CG1-CE1 3.68Å; Y308-Y390 WeakPolarHBondContact CB-OH 3.33Å; Y308-Y390 WeakPolarHBondContact CD2-OH 3.32Å; Q309-Y390 HydrophobicContact CG-CD1 3.66Å; Q309-Y390 HydrophobicContact CG-CE1 3.71Å; Q309-Y390 HydrophobicContact CG-CG 4.33Å; V386-Y390 HydrophobicContact CG1-CD2 4Å; V386-Y390 HydrophobicContact CG1-CE2 4.29Å; V386-Y390 WeakPolarHBondContact O-CD2 3.36Å; V386-Y390 PolarHBondContact O-N 3.35Å; D387-Y390 PolarHBondContact O-N 3.48Å; Y390-G392 PolarHBondContact O-N 3.09Å
391	A	97.2	Very high	98.2	Very high	62 Å²	62	24.5 Å²	24.5	51%	0.512	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-2.8	166.9	0	0	0	0	0	112.9	D387 M389 K393	D387-A391 VanDerWaalsContact O-CB 3.28Å; D387-A391 WeakPolarHBondContact O-CB 3.2Å; D387-A391 PolarHBondContact O-N 3.26Å; M389-A391 VanDerWaalsContact C-N 3.31Å; M389-A391 PolarHBondContact O-N 3.44Å; A391-K393 VanDerWaalsContact C-N 3.25Å; A391-K393 HydrophobicContact CB-CD 4.1Å; A391-K393 HydrophobicContact CB-CG 3.96Å; A391-K393 PolarHBondContact O-N 3.36Å
392	G	97.1	Very high	98.1	Very high	27 Å²	27	24.7 Å²	24.7	28%	0.278	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	29.3	177.4	0	0	0	0	0	113.1	S238 K242 Y388 M389 Y390	S238-G392 PolarHBondContact OG-O 3.34Å; K242-G392 PolarHBondContact NZ-O 2.59Å; Y388-G392 PolarHBondContact O-N 3.25Å; M389-G392 WeakPolarHBondContact O-CA 3.41Å; M389-G392 PolarHBondContact O-N 2.95Å; Y390-G392 PolarHBondContact O-N 3.09Å
393	K	97.3	Very high	97	Very high	131 Å²	131	25.4 Å²	25.4	57%	0.57	14%	0.136	S	C	*	.			trans	-88	-33	-175.6	-67.9	-179.2	177.5	178.3	0	112.9	K242 Y388 A391	K242-K393 VanDerWaalsContact CE-O 3.25Å; K242-K393 WeakPolarHBondContact CE-O 3.36Å; K242-K393 PolarHBondContact NZ-O 3.32Å; Y388-K393 HydrophobicContact CD1-CB 4.49Å; Y388-K393 HydrophobicContact CD2-CB 3.58Å; Y388-K393 HydrophobicContact CD2-CD 3.7Å; Y388-K393 HydrophobicContact CD2-CG 4.25Å; Y388-K393 HydrophobicContact CE1-CB 4.19Å; Y388-K393 HydrophobicContact CE2-CB 3.2Å; Y388-K393 HydrophobicContact CE2-CD 3.76Å; Y388-K393 HydrophobicContact CE2-CG 4.11Å; Y388-K393 HydrophobicContact CG-CB 4.2Å; Y388-K393 PolarHBondContact O-N 2.95Å; Y388-K393 PolarHBondContact OH-O 3.49Å; A391-K393 VanDerWaalsContact C-N 3.25Å; A391-K393 HydrophobicContact CB-CD 4.1Å; A391-K393 HydrophobicContact CB-CG 3.96Å; A391-K393 PolarHBondContact O-N 3.36Å
394	N	98.2	Very high	95	Very high	16 Å²	16	27.2 Å²	27.2	9%	0.086	15%	0.151	C	C	.	.			trans	-62.1	145.3	-171.2	69.1	-68.9	0	0	0	115.5	K242 D366 Y388 G396 V398	K242-N394 WeakPolarHBondContact CE-O 3.24Å; K242-N394 PolarHBondContact NZ-O 2.58Å; D366-N394 HydrophobicContact CB-CB 4.47Å; D366-N394 WeakPolarHBondContact OD2-CA 3.39Å; Y388-N394 HydrophobicContact CD1-CB 3.89Å; Y388-N394 HydrophobicContact CE1-CB 3.44Å; Y388-N394 VanDerWaalsContact CE1-CB 3.44Å; N394-G396 PolarHBondContact ND2-O 2.82Å; N394-V398 HydrophobicContact CB-CG2 3.31Å
395	L	98	Very high	92.8	Very high	24 Å²	24	28.5 Å²	28.5	13%	0.126	17%	0.165	C	C	.	.	S	Bend	trans	-119.5	109.9	171.8	-168.9	163.7	0	0	0	108	E241 K242 F245 E364 D366	E241-L395 HydrophobicContact CG-CD1 3.95Å; K242-L395 HydrophobicContact CG-CD1 4.25Å; K242-L395 HydrophobicContact CG-CG 4.32Å; F245-L395 HydrophobicContact CB-CD1 3.91Å; F245-L395 HydrophobicContact CB-CD2 4Å; F245-L395 HydrophobicContact CB-CG 4.21Å; F245-L395 HydrophobicContact CD1-CD2 3.8Å; F245-L395 HydrophobicContact CD1-CG 4.26Å; F245-L395 HydrophobicContact CD2-CD2 3.76Å; F245-L395 HydrophobicContact CE1-CD2 4.18Å; F245-L395 HydrophobicContact CE2-CD2 4.15Å; F245-L395 HydrophobicContact CG-CD1 4.4Å; F245-L395 HydrophobicContact CG-CD2 3.57Å; F245-L395 HydrophobicContact CG-CG 4.18Å; F245-L395 HydrophobicContact CZ-CD2 4.34Å; E364-L395 HydrophobicContact CG-CD2 3.47Å; E364-L395 VanDerWaalsContact CG-CD2 3.47Å; D366-L395 WeakPolarHBondContact CB-O 3.43Å; D366-L395 PolarHBondContact OD2-N 3.05Å
396	G	98.5	Very high	90.4	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	86.2	-158.4	-169.7	0	0	0	0	0	113.4	A215 G216 G217 N394	A215-G396 PolarHBondContact O-N 3.05Å; G216-G396 CarbonylContact C-O 2.96Å; G217-G396 PolarHBondContact N-O 3.2Å; G217-G396 VanDerWaalsContact N-O 3.1Å; N394-G396 PolarHBondContact ND2-O 2.82Å
397	K	98.8	Very high	87.5	Confident	3 Å²	3	40.5 Å²	40.5	1%	0.013	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	121.8	-175.6	174.7	60.1	169.3	179.5	0	110.2	I107 N108 E132 T185 E364 D366 V399	I107-K397 PolarHBondContact O-NZ 3.3Å; N108-K397 VanDerWaalsContact CG-NZ 3.33Å; N108-K397 PolarHBondContact ND2-NZ 3.22Å; N108-K397 PolarHBondContact OD1-NZ 3.43Å; E132-K397 VanDerWaalsContact OE1-CE 3.23Å; E132-K397 WeakPolarHBondContact OE1-CE 3.23Å; E132-K397 IonicContact OE1-NZ 3.4Å; E132-K397 PolarHBondContact OE1-NZ 3.43Å; T185-K397 HydrophobicContact CG2-CB 3.71Å; T185-K397 HydrophobicContact CG2-CG 3.94Å; E364-K397 PolarHBondContact O-N 3.49Å; D366-K397 PolarHBondContact N-O 3.2Å; K397-V399 HydrophobicContact CG-CG2 3.95Å; K397-V399 PolarHBondContact O-N 3.3Å
398	V	98.8	Very high	84.6	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	125	174.7	-176.8	0	0	0	0	110	I107 D366 F376 A385 Y388 M389 N394	I107-V398 HydrophobicContact CB-CB 4.03Å; I107-V398 HydrophobicContact CB-CG1 3.91Å; I107-V398 HydrophobicContact CG1-CB 4.41Å; I107-V398 HydrophobicContact CG1-CG1 3.8Å; I107-V398 PolarHBondContact N-O 3.11Å; D366-V398 WeakPolarHBondContact O-CA 3.39Å; F376-V398 HydrophobicContact CD2-CG1 4.24Å; F376-V398 HydrophobicContact CE2-CG1 3.99Å; A385-V398 HydrophobicContact CB-CG1 3.84Å; Y388-V398 HydrophobicContact CD1-CG2 4.34Å; M389-V398 HydrophobicContact CB-CG2 4.37Å; M389-V398 HydrophobicContact CE-CB 3.85Å; M389-V398 HydrophobicContact CE-CG2 3.85Å; N394-V398 HydrophobicContact CB-CG2 3.31Å
399	V	98.8	Very high	81.6	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.5	-177.5	178.1	0	0	0	0	110	F104 P181 L184 V365 D366 K397	F104-V399 HydrophobicContact CB-CG1 3.68Å; F104-V399 HydrophobicContact CD1-CG1 3.76Å; F104-V399 HydrophobicContact CG-CG1 4.05Å; P181-V399 HydrophobicContact CB-CG1 3.98Å; P181-V399 HydrophobicContact CB-CG2 4.46Å; L184-V399 HydrophobicContact CD2-CG1 4.4Å; L184-V399 HydrophobicContact CD2-CG2 3.78Å; V365-V399 HydrophobicContact CG1-CB 3.97Å; V365-V399 HydrophobicContact CG1-CG2 3.84Å; D366-V399 PolarHBondContact O-N 3.34Å; K397-V399 HydrophobicContact CG-CG2 3.95Å; K397-V399 PolarHBondContact O-N 3.3Å
400	V	98.7	Very high	78.5	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	132.9	172.7	172.8	0	0	0	0	109.3	F104 V105 I107 F376 G378 S381 V382 A385	F104-V400 CarbonylContact C-O 3.56Å; F104-V400 VanDerWaalsContact CA-O 3.28Å; F104-V400 WeakPolarHBondContact CA-O 3.43Å; V105-V400 HydrophobicContact CG2-CB 3.81Å; V105-V400 HydrophobicContact CG2-CG1 4.32Å; V105-V400 PolarHBondContact N-O 3.43Å; V105-V400 PolarHBondContact O-N 3.33Å; I107-V400 HydrophobicContact CD1-CG2 3.76Å; I107-V400 HydrophobicContact CG1-CG2 3.92Å; F376-V400 HydrophobicContact CB-CB 4.45Å; F376-V400 HydrophobicContact CB-CG2 3.94Å; G378-V400 WeakPolarHBondContact O-CG1 3.46Å; S381-V400 VanDerWaalsContact OG-CG1 3.24Å; S381-V400 WeakPolarHBondContact OG-CG1 3.43Å; V382-V400 HydrophobicContact CG2-CB 4.34Å; V382-V400 HydrophobicContact CG2-CG1 4.12Å; V382-V400 HydrophobicContact CG2-CG2 4.02Å; A385-V400 HydrophobicContact CB-CG2 3.79Å
401	E	97.9	Very high	75.2	Confident	13 Å²	13	55.9 Å²	55.9	6%	0.061	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	111.6	169.9	-173.1	163.7	-169.4	0	0	109.5	R103 F104 R375 F376 V377 G378	R103-E401 IonicContact CZ-OE1 3.13Å; R103-E401 IonicContact NE-OE1 2.76Å; R103-E401 PolarHBondContact NE-OE1 2.6Å; R103-E401 VanDerWaalsContact NE-OE1 3.17Å; R103-E401 IonicContact NH2-OE1 2.67Å; R103-E401 PolarHBondContact NH2-OE1 2.91Å; R103-E401 CarbonylContact O-C 3.52Å; R103-E401 WeakPolarHBondContact O-CA 3.43Å; F104-E401 HydrophobicContact CD1-CB 3.84Å; F104-E401 HydrophobicContact CD1-CG 4.11Å; F104-E401 HydrophobicContact CE1-CB 3.62Å; F104-E401 HydrophobicContact CE1-CG 3.62Å; F104-E401 HydrophobicContact CZ-CG 4.23Å; R375-E401 IonicContact CZ-OE2 3.83Å; R375-E401 VanDerWaalsContact CZ-OE2 3.3Å; R375-E401 IonicContact NE-OE2 3.4Å; R375-E401 PolarHBondContact NE-OE2 3.25Å; R375-E401 IonicContact NH2-OE2 2.85Å; R375-E401 PolarHBondContact NH2-OE2 2.97Å; F376-E401 PolarHBondContact O-N 3.46Å; V377-E401 CarbonylContact C-O 3.21Å; V377-E401 WeakPolarHBondContact CA-O 3.01Å; V377-E401 HydrophobicContact CG2-CB 4.48Å; G378-E401 PolarHBondContact N-O 2.9Å
402	V	95	Very high	72.1	Confident	8 Å²	8	64.9 Å²	64.9	5%	0.048	37%	0.37	C	S	.	.	S	Bend	trans	-80.4	-52.5	-172.9	176.9	0	0	0	0	111.4	N102 R103 V105 E164 L379	N102-V402 HydrophobicContact CB-CB 4.49Å; N102-V402 HydrophobicContact CB-CG2 4.47Å; R103-V402 PolarHBondContact O-N 2.96Å; V105-V402 HydrophobicContact CB-CG2 4.18Å; V105-V402 HydrophobicContact CG1-CG2 3.53Å; V105-V402 HydrophobicContact CG2-CG2 3.64Å; E164-V402 HydrophobicContact CB-CG1 4.49Å; E164-V402 HydrophobicContact CG-CG1 4.14Å; L379-V402 HydrophobicContact CD2-CG1 3.95Å; L379-V402 HydrophobicContact CD2-CG2 4.02Å; L379-V402 HydrophobicContact CG-CG1 4.06Å
403	A	76.1	Confident	70.9	Confident	14 Å²	14	66.8 Å²	66.8	12%	0.116	38%	0.375	C	S	.	.	S	Bend	trans	-122.2	99	-178.2	0	0	0	0	0	109.7	R103	R103-A403 WeakPolarHBondContact CD-O 3.45Å; R103-A403 PolarHBondContact NE-O 3Å; R103-A403 PolarHBondContact NH1-O 2.91Å
404	P	57.5	Low	69.5	Low	64 Å²	64	63.4 Å²	63.4	42%	0.416	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-59.8	157.6	171	27.2	-33.2	0	0	0	109.5	V377 N406	V377-P404 HydrophobicContact CG1-CG 4.18Å; P404-N406 PolarHBondContact O-N 2.86Å
405	P	51.4	Low	67.9	Low	73 Å²	73	66 Å²	66	47%	0.474	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-59.6	144	-179.9	-4.6	20.6	0	0	0	107.1	R103 V407	R103-P405 VanDerWaalsContact NH1-CD 3.27Å; R103-P405 VanDerWaalsContact NH2-CG 3.28Å; P405-V407 PolarHBondContact O-N 2.99Å
406	N	48.3	Very low	66.1	Low	115 Å²	115	68.5 Å²	68.5	62%	0.615	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-54	136	167.6	-73.1	-19.5	0	0	0	107	P404 G408	P404-N406 PolarHBondContact O-N 2.86Å; N406-G408 PolarHBondContact O-N 3.19Å
407	V	37	Very low	64.1	Low	140 Å²	140	72.8 Å²	72.8	85%	0.848	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	35.8	-179.7	-170.5	0	0	0	0	111.3	P405	P405-V407 PolarHBondContact O-N 2.99Å
408	G	37.4	Very low	61.8	Low	52 Å²	52	77.4 Å²	77.4	54%	0.536	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-17.3	178.4	0	0	0	0	0	114.2	N406	N406-G408 PolarHBondContact O-N 3.19Å
409	D	35.6	Very low	59.1	Low	152 Å²	152	82.9 Å²	82.9	81%	0.813	48%	0.478	S	S	*	.	S	Bend	trans	-92.3	2.9	179.3	-65.9	-27.9	0	0	0	113.4	K411	D409-K411 PolarHBondContact O-N 3Å
410	S	32.9	Very low	56.1	Low	92 Å²	92	89.2 Å²	89.2	64%	0.643	52%	0.515	S	S	*	.			trans	-94.6	70.3	165.6	44.5	0	0	0	0	110.2
411	K	28.9	Very low	52.5	Low	187 Å²	187	96.7 Å²	96.7	81%	0.813	56%	0.558	S	S	*	*			trans	-129.8	103.1	159.1	-78.7	-168.7	177.7	-179.4	0	110.4	D409	D409-K411 PolarHBondContact O-N 3Å
412	L	31.9	Very low	48.4	Very low	250 Å²	250	104.3 Å²	104.3	100%	1.309	60%	0.603	S	S	*	*			trans	57.9	0	154.4	-75.5	155	0	0	0	118.4

Retrieved 412 of 412 residues in 74.3 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).