X5D991_HUMAN Loading...

Tyrosine-protein kinase receptor

AlphaFold DB , UniProt , Accession X5D991, Species HUMAN (Homo sapiens, Human), Gene NTRK1, Length 608 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30	Very low	32.3	Very low	244 Å²	244	145.1 Å²	145.1	100%	1.202	76%	0.757	S	S	*	*				0	126.6	0	-81.2	-179.3	173.2	0	0	108.6
2	L	23.8	Very low	33.6	Very low	184 Å²	184	137.8 Å²	137.8	96%	0.963	71%	0.712	S	S	*	*			trans	-162	140.4	155.5	-104	168.7	0	0	0	107.5
3	R	26.6	Very low	33.9	Very low	251 Å²	251	138.8 Å²	138.8	95%	0.947	71%	0.712	S	S	*	*			trans	-114.5	134.7	-178.9	-115.8	-173.9	178.5	-172.8	0.6	108.9
4	G	29.2	Very low	34.4	Very low	84 Å²	84	133.6 Å²	133.6	87%	0.866	69%	0.693	S	S	*	*			trans	100.7	110.2	156	0	0	0	0	0	117
5	G	24.6	Very low	35.1	Very low	58 Å²	58	139.1 Å²	139.1	60%	0.598	70%	0.702	S	S	*	*			trans	176.6	121.6	166.6	0	0	0	0	0	111.8	R7	G5-R7 VanDerWaalsContact C-N 3.28Å; G5-R7 PolarHBondContact O-N 3.01Å; G5-R7 VanDerWaalsContact O-N 3.14Å
6	R	31.8	Very low	35.9	Very low	263 Å²	263	135 Å²	135	99%	0.992	70%	0.696	S	S	*	*	S	Bend	trans	-86.3	55.5	179.5	-69.1	-173.2	-177.2	175.9	1.8	112.7
7	R	33.6	Very low	37.2	Very low	226 Å²	226	127.9 Å²	127.9	85%	0.853	66%	0.662	S	S	*	*	S	Bend	trans	-141.2	144.5	162.8	-72.9	-171.8	177.6	178.3	-1.6	107.3	G5 Q9	G5-R7 VanDerWaalsContact C-N 3.28Å; G5-R7 PolarHBondContact O-N 3.01Å; G5-R7 VanDerWaalsContact O-N 3.14Å; R7-Q9 PolarHBondContact O-N 2.83Å; R7-Q9 VanDerWaalsContact O-N 3.17Å
8	G	35.7	Very low	38.1	Very low	54 Å²	54	122.2 Å²	122.2	56%	0.557	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-56.5	121.2	177.4	0	0	0	0	0	110.2	S30	G8-S30 WeakPolarHBondContact CA-O 3.4Å
9	Q	38.4	Very low	39.1	Very low	144 Å²	144	119.8 Å²	119.8	67%	0.673	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-94	120.1	177.3	-76.9	-175.2	-36.9	0	0	108.5	R7 S30	R7-Q9 PolarHBondContact O-N 2.83Å; R7-Q9 VanDerWaalsContact O-N 3.17Å; Q9-S30 PolarHBondContact N-OG 2.94Å; Q9-S30 VanDerWaalsContact N-OG 3.16Å; Q9-S30 PolarHBondContact O-OG 3.3Å
10	L	44.3	Very low	40	Very low	45 Å²	45	116.5 Å²	116.5	24%	0.236	63%	0.628	C	S	.	*	P	Polyproline II helix	trans	-98.2	118.2	167.6	-67	161.4	0	0	0	107	I27 A29 V88	L10-I27 HydrophobicContact CD2-CG2 3.39Å; L10-A29 HydrophobicContact CD2-CB 4.32Å; L10-V88 HydrophobicContact CD1-CB 4.15Å; L10-V88 HydrophobicContact CD1-CG2 3.51Å
11	G	38	Very low	41.2	Very low	43 Å²	43	112.9 Å²	112.9	44%	0.443	61%	0.612	S	S	.	*			trans	-108.9	147.6	177.2	0	0	0	0	0	111.2
12	W	47.7	Very low	42.8	Very low	57 Å²	57	107 Å²	107	22%	0.216	59%	0.585	C	S	.	*			trans	-128	149	-177.6	-62	90.4	0	0	0	111.6	W25 I27 W39 V75 C77 V88 V90	W12-W25 HydrophobicContact CE3-CB 4.02Å; W12-W25 AromaticContact CE3-CD1 3.66Å; W12-W25 HydrophobicContact CE3-CG 4.05Å; W12-W25 HydrophobicContact CZ3-CB 3.88Å; W12-W25 AromaticContact CZ3-CD1 3.87Å; W12-W25 AromaticContact CZ3-CG 3.92Å; W12-W25 HydrophobicContact CZ3-CG 3.92Å; W12-I27 HydrophobicContact CD2-CG1 4.47Å; W12-I27 HydrophobicContact CE3-CD1 4.3Å; W12-I27 HydrophobicContact CE3-CG1 4.12Å; W12-I27 HydrophobicContact CH2-CD1 3.52Å; W12-I27 HydrophobicContact CH2-CG1 4.23Å; W12-I27 HydrophobicContact CZ2-CD1 3.81Å; W12-I27 HydrophobicContact CZ3-CD1 3.76Å; W12-I27 HydrophobicContact CZ3-CG1 4Å; W12-W39 HydrophobicContact CH2-CH2 4.23Å; W12-W39 AromaticContact CH2-CZ3 3.78Å; W12-W39 HydrophobicContact CH2-CZ3 3.78Å; W12-W39 AromaticContact CZ3-CH2 3.97Å; W12-W39 HydrophobicContact CZ3-CH2 3.97Å; W12-W39 AromaticContact CZ3-CZ3 3.88Å; W12-W39 HydrophobicContact CZ3-CZ3 3.88Å; W12-V75 HydrophobicContact CH2-CG1 4.46Å; W12-C77 HydrophobicContact CH2-CB 4.37Å; W12-C77 HydrophobicContact CZ2-CB 4.48Å; W12-V88 HydrophobicContact CZ2-CG1 4.08Å; W12-V90 HydrophobicContact CD2-CG2 3.8Å; W12-V90 HydrophobicContact CE3-CG2 4.23Å; W12-V90 HydrophobicContact CG-CG2 4.14Å; W12-V90 HydrophobicContact CH2-CB 4.39Å; W12-V90 HydrophobicContact CH2-CG2 4.22Å; W12-V90 HydrophobicContact CZ2-CB 4.45Å; W12-V90 HydrophobicContact CZ2-CG2 3.86Å; W12-V90 HydrophobicContact CZ3-CG2 4.42Å
13	H	37.6	Very low	45	Very low	152 Å²	152	98.6 Å²	98.6	70%	0.704	54%	0.541	S	S	*	.			trans	-126.2	134.1	159.8	-65.7	-64.3	0	0	0	108
14	S	41	Very low	46.9	Very low	65 Å²	65	89.7 Å²	89.7	46%	0.455	52%	0.521	S	S	.	.			trans	-144.8	138.1	178.5	-166.7	0	0	0	0	108.6	W25	S14-W25 PolarHBondContact OG-NE1 2.84Å
15	W	44.8	Very low	49	Very low	216 Å²	216	85.9 Å²	85.9	82%	0.818	48%	0.48	S	S	*	.			trans	-112.9	144.7	173.5	-61.8	88	0	0	0	108.5	L23	W15-L23 WeakPolarHBondContact O-CD2 3.06Å
16	A	47.1	Very low	50.9	Low	74 Å²	74	87.9 Å²	87.9	61%	0.612	48%	0.477	S	S	*	.			trans	-70.2	136.9	172.4	0	0	0	0	0	109.4
17	A	58.7	Low	52.6	Low	14 Å²	14	75.7 Å²	75.7	12%	0.116	43%	0.431	C	S	.	.	B	Isolated β-bridge	trans	-133.4	152.4	-172.9	0	0	0	0	0	111.9	L23 V94 S95	A17-L23 HydrophobicContact CB-CD2 3.54Å; A17-L23 HydrophobicContact CB-CG 3.96Å; A17-V94 WeakPolarHBondContact O-CA 3.48Å; A17-S95 PolarHBondContact O-N 3.08Å
18	G	52.5	Low	54	Low	26 Å²	26	70 Å²	70	27%	0.268	42%	0.417	S	S	.	.			trans	-90.5	177.5	175.3	0	0	0	0	0	112.8	S21 S95	G18-S21 PolarHBondContact N-OG 3.49Å; G18-S21 WeakPolarHBondContact O-CB 3.42Å; G18-S21 PolarHBondContact O-N 3.02Å; G18-S21 PolarHBondContact O-OG 3.12Å; G18-S95 WeakPolarHBondContact CA-O 3.46Å
19	P	57.6	Low	55.3	Low	76 Å²	76	67.8 Å²	67.8	49%	0.494	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	144	178.4	-17.5	33.8	0	0	0	110.9	S21 V66 S95 F96	P19-S21 PolarHBondContact O-N 3.03Å; P19-V66 CarbonylContact C-O 3.57Å; P19-V66 WeakPolarHBondContact CA-O 3.24Å; P19-S95 WeakPolarHBondContact CD-O 3.29Å; P19-F96 HydrophobicContact CG-CB 3.91Å
20	G	57.7	Low	56.4	Low	53 Å²	53	64 Å²	64	55%	0.546	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	1.1	-175.7	0	0	0	0	0	115.1	V66	G20-V66 PolarHBondContact N-O 3.15Å
21	S	64.1	Low	57.3	Low	42 Å²	42	64.5 Å²	64.5	29%	0.294	40%	0.399	S	S	.	.			trans	-75.6	167.3	177.7	-56.9	0	0	0	0	113	G18 P19 V66	G18-S21 PolarHBondContact N-OG 3.49Å; G18-S21 WeakPolarHBondContact O-CB 3.42Å; G18-S21 PolarHBondContact O-N 3.02Å; G18-S21 PolarHBondContact O-OG 3.12Å; P19-S21 PolarHBondContact O-N 3.03Å; S21-V66 WeakPolarHBondContact O-CG2 3.48Å
22	L	64.4	Low	58.3	Low	121 Å²	121	73.8 Å²	73.8	63%	0.634	42%	0.421	S	S	*	.			trans	-92.8	127.6	166.3	-75.5	158.9	0	0	0	109.9	T62 A64	L22-T62 HydrophobicContact CD2-CG2 3.89Å; L22-A64 HydrophobicContact CD2-CB 3.59Å
23	L	69.2	Low	59.1	Low	6 Å²	6	72.8 Å²	72.8	3%	0.031	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.2	167.7	-77.1	172.7	0	0	0	109	W15 A17 W25 T62 L63 V66 V92	W15-L23 WeakPolarHBondContact O-CD2 3.06Å; A17-L23 HydrophobicContact CB-CD2 3.54Å; A17-L23 HydrophobicContact CB-CG 3.96Å; L23-W25 HydrophobicContact CB-CH2 3.62Å; L23-W25 HydrophobicContact CB-CZ2 4.26Å; L23-W25 HydrophobicContact CB-CZ3 3.79Å; L23-W25 HydrophobicContact CD1-CH2 3.84Å; L23-W25 HydrophobicContact CD1-CZ2 4.29Å; L23-W25 HydrophobicContact CG-CH2 4.27Å; L23-T62 CarbonylContact O-C 3.58Å; L23-T62 VanDerWaalsContact O-CA 3.31Å; L23-T62 WeakPolarHBondContact O-CA 3.42Å; L23-L63 HydrophobicContact CB-CB 4.45Å; L23-L63 PolarHBondContact N-O 3.14Å; L23-L63 PolarHBondContact O-N 3.16Å; L23-V66 HydrophobicContact CB-CG2 4.43Å; L23-V66 HydrophobicContact CD1-CG1 4.06Å; L23-V66 HydrophobicContact CD1-CG2 4.08Å; L23-V66 HydrophobicContact CG-CG2 4.28Å; L23-V92 HydrophobicContact CD1-CG1 3.65Å
24	A	67.6	Low	60.6	Low	64 Å²	64	67.7 Å²	67.7	53%	0.529	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	132.6	179.6	0	0	0	0	0	110.9	L61 T62	A24-L61 CarbonylContact C-O 3.55Å; A24-L61 WeakPolarHBondContact CA-O 3.33Å; A24-T62 HydrophobicContact CB-CG2 4.45Å
25	W	72.6	Confident	62.1	Low	5 Å²	5	70.7 Å²	70.7	2%	0.019	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137.1	173.2	-62.5	-84.4	0	0	0	109.6	W12 S14 L23 W39 G60 L61 L63 V75 V92	W12-W25 HydrophobicContact CE3-CB 4.02Å; W12-W25 AromaticContact CE3-CD1 3.66Å; W12-W25 HydrophobicContact CE3-CG 4.05Å; W12-W25 HydrophobicContact CZ3-CB 3.88Å; W12-W25 AromaticContact CZ3-CD1 3.87Å; W12-W25 AromaticContact CZ3-CG 3.92Å; W12-W25 HydrophobicContact CZ3-CG 3.92Å; S14-W25 PolarHBondContact OG-NE1 2.84Å; L23-W25 HydrophobicContact CB-CH2 3.62Å; L23-W25 HydrophobicContact CB-CZ2 4.26Å; L23-W25 HydrophobicContact CB-CZ3 3.79Å; L23-W25 HydrophobicContact CD1-CH2 3.84Å; L23-W25 HydrophobicContact CD1-CZ2 4.29Å; L23-W25 HydrophobicContact CG-CH2 4.27Å; W25-W39 HydrophobicContact CB-CH2 4.18Å; W25-G60 WeakPolarHBondContact O-CA 3.31Å; W25-L61 HydrophobicContact CE3-CD2 4.08Å; W25-L61 HydrophobicContact CE3-CG 4.39Å; W25-L61 HydrophobicContact CZ3-CD2 4.45Å; W25-L61 PolarHBondContact N-O 3.17Å; W25-L61 PolarHBondContact O-N 3.19Å; W25-L63 HydrophobicContact CH2-CD1 3.86Å; W25-L63 HydrophobicContact CH2-CG 4.48Å; W25-L63 HydrophobicContact CZ3-CB 4.36Å; W25-L63 HydrophobicContact CZ3-CD1 3.65Å; W25-L63 HydrophobicContact CZ3-CG 3.81Å; W25-V75 HydrophobicContact CH2-CG2 4.09Å; W25-V75 HydrophobicContact CZ2-CG2 4.36Å; W25-V75 HydrophobicContact CZ3-CG2 4.28Å; W25-V92 HydrophobicContact CH2-CG1 4.45Å; W25-V92 HydrophobicContact CH2-CG2 3.91Å; W25-V92 HydrophobicContact CZ2-CG2 4.04Å
26	L	64.2	Low	63.6	Low	100 Å²	100	65.7 Å²	65.7	52%	0.524	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.5	171	-178.1	68.9	0	0	0	108.4
27	I	67.7	Low	65.1	Low	6 Å²	6	63.5 Å²	63.5	3%	0.031	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.8	177.4	-63.6	-172.6	0	0	0	109.6	L10 W12 W39 S58 L59 C77	L10-I27 HydrophobicContact CD2-CG2 3.39Å; W12-I27 HydrophobicContact CD2-CG1 4.47Å; W12-I27 HydrophobicContact CE3-CD1 4.3Å; W12-I27 HydrophobicContact CE3-CG1 4.12Å; W12-I27 HydrophobicContact CH2-CD1 3.52Å; W12-I27 HydrophobicContact CH2-CG1 4.23Å; W12-I27 HydrophobicContact CZ2-CD1 3.81Å; W12-I27 HydrophobicContact CZ3-CD1 3.76Å; W12-I27 HydrophobicContact CZ3-CG1 4Å; I27-W39 HydrophobicContact CD1-CE3 4.42Å; I27-W39 HydrophobicContact CD1-CH2 3.19Å; I27-W39 HydrophobicContact CD1-CZ2 3.73Å; I27-W39 HydrophobicContact CD1-CZ3 3.58Å; I27-W39 HydrophobicContact CG1-CH2 3.62Å; I27-W39 HydrophobicContact CG1-CZ2 4.02Å; I27-W39 HydrophobicContact CG1-CZ3 4.44Å; I27-S58 VanDerWaalsContact O-CA 3.31Å; I27-S58 WeakPolarHBondContact O-CA 3.49Å; I27-L59 PolarHBondContact N-O 2.92Å; I27-L59 PolarHBondContact O-N 2.8Å; I27-C77 HydrophobicContact CD1-CB 3.31Å; I27-C77 WeakPolarHBondContact CD1-SG 3.39Å
28	L	63.4	Low	66	Low	106 Å²	106	63.4 Å²	63.4	56%	0.555	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	108.2	167.6	-70.5	163.8	0	0	0	108.7
29	A	63.7	Low	67.3	Low	8 Å²	8	63.6 Å²	63.6	7%	0.066	37%	0.373	C	S	.	.			trans	-88.4	129.5	174	0	0	0	0	0	109.7	L10 L34 L56 P57	L10-A29 HydrophobicContact CD2-CB 4.32Å; A29-L34 HydrophobicContact CB-CD2 3.74Å; A29-L56 HydrophobicContact CB-CD2 4.34Å; A29-P57 PolarHBondContact N-O 2.71Å; A29-P57 WeakPolarHBondContact O-CB 3.04Å
30	S	61.7	Low	68.3	Low	65 Å²	65	62.6 Å²	62.6	46%	0.455	36%	0.363	S	S	.	.			trans	-134.4	124.4	-174.9	55.4	0	0	0	0	112.1	G8 Q9	G8-S30 WeakPolarHBondContact CA-O 3.4Å; Q9-S30 PolarHBondContact N-OG 2.94Å; Q9-S30 VanDerWaalsContact N-OG 3.16Å; Q9-S30 PolarHBondContact O-OG 3.3Å
31	G	62.9	Low	69	Low	55 Å²	55	60.3 Å²	60.3	57%	0.567	34%	0.338	S	S	*	.			trans	-178.7	160	-179.6	0	0	0	0	0	112.8
32	R	58.4	Low	69.1	Low	239 Å²	239	63.4 Å²	63.4	90%	0.902	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	141	163.3	-87.6	-172.3	170.4	-165.7	-3.5	108.6	L34 N81	R32-L34 VanDerWaalsContact C-N 3.31Å; R32-L34 PolarHBondContact O-N 2.86Å; R32-N81 PolarHBondContact O-ND2 2.79Å; R32-N81 VanDerWaalsContact O-ND2 3.12Å
33	G	64.3	Low	69	Low	36 Å²	36	62.1 Å²	62.1	37%	0.371	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	22.1	179.6	0	0	0	0	0	114.3	E35 N81	G33-E35 WeakPolarHBondContact O-CG 3.45Å; G33-E35 PolarHBondContact O-N 2.92Å; G33-N81 WeakPolarHBondContact O-CA 3.44Å; G33-N81 WeakPolarHBondContact O-CB 3.48Å
34	L	70.1	Confident	68.8	Low	45 Å²	45	61.9 Å²	61.9	24%	0.236	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	106.2	-177.4	-178.1	62.3	0	0	0	110.4	A29 R32 L56 A79	A29-L34 HydrophobicContact CB-CD2 3.74Å; R32-L34 VanDerWaalsContact C-N 3.31Å; R32-L34 PolarHBondContact O-N 2.86Å; L34-L56 HydrophobicContact CD2-CD2 3.6Å; L34-L56 HydrophobicContact CG-CD1 4.27Å; L34-L56 HydrophobicContact CG-CD2 3.92Å; L34-A79 HydrophobicContact CD1-CB 4.04Å
35	E	71.2	Confident	68.8	Low	128 Å²	128	63.9 Å²	63.9	60%	0.598	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	-44.8	-174.6	-59.6	-160.8	131.2	0	0	112.1	G33 E80	G33-E35 WeakPolarHBondContact O-CG 3.45Å; G33-E35 PolarHBondContact O-N 2.92Å; E35-E80 PolarHBondContact N-O 3.04Å
36	Q	77.3	Confident	68.4	Low	110 Å²	110	70.6 Å²	70.6	51%	0.514	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	152.1	-172.2	-58.9	-172.3	35.3	0	0	111.9	W78 A79 E80	Q36-W78 HydrophobicContact CB-CH2 3.91Å; Q36-W78 HydrophobicContact CB-CZ3 3.91Å; Q36-A79 WeakPolarHBondContact O-CA 3.28Å; Q36-E80 PolarHBondContact N-O 2.88Å; Q36-E80 PolarHBondContact O-N 2.94Å
37	A	78.3	Confident	68.4	Low	28 Å²	28	67.8 Å²	67.8	23%	0.231	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	151.9	168.6	0	0	0	0	0	110.1	L56 L59 W78 A79	A37-L56 HydrophobicContact CB-CD2 3.72Å; A37-L59 HydrophobicContact CB-CD1 3.9Å; A37-L59 HydrophobicContact CB-CD2 4.18Å; A37-W78 CarbonylContact C-O 3.37Å; A37-W78 VanDerWaalsContact CA-O 3.23Å; A37-W78 WeakPolarHBondContact CA-O 3.23Å; A37-W78 WeakPolarHBondContact CB-O 3.31Å; A37-A79 HydrophobicContact CB-CB 4.18Å
38	G	77.6	Confident	68.5	Low	13 Å²	13	68.2 Å²	68.2	13%	0.134	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	-172.9	-176.7	0	0	0	0	0	114.4	C77 W78	G38-C77 WeakPolarHBondContact O-CA 3.45Å; G38-W78 PolarHBondContact N-O 3.28Å; G38-W78 PolarHBondContact O-N 2.87Å
39	W	79.5	Confident	69.2	Low	29 Å²	29	67.1 Å²	67.1	11%	0.11	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.8	-177.5	-60.9	98.6	0	0	0	110.3	W12 W25 I27 L41 L59 L61 V75 C77	W12-W39 HydrophobicContact CH2-CH2 4.23Å; W12-W39 AromaticContact CH2-CZ3 3.78Å; W12-W39 HydrophobicContact CH2-CZ3 3.78Å; W12-W39 AromaticContact CZ3-CH2 3.97Å; W12-W39 HydrophobicContact CZ3-CH2 3.97Å; W12-W39 AromaticContact CZ3-CZ3 3.88Å; W12-W39 HydrophobicContact CZ3-CZ3 3.88Å; W25-W39 HydrophobicContact CB-CH2 4.18Å; I27-W39 HydrophobicContact CD1-CE3 4.42Å; I27-W39 HydrophobicContact CD1-CH2 3.19Å; I27-W39 HydrophobicContact CD1-CZ2 3.73Å; I27-W39 HydrophobicContact CD1-CZ3 3.58Å; I27-W39 HydrophobicContact CG1-CH2 3.62Å; I27-W39 HydrophobicContact CG1-CZ2 4.02Å; I27-W39 HydrophobicContact CG1-CZ3 4.44Å; W39-L41 HydrophobicContact CB-CD1 3.92Å; W39-L41 HydrophobicContact CB-CD2 4.02Å; W39-L41 HydrophobicContact CB-CG 3.76Å; W39-L41 HydrophobicContact CE3-CD2 4.5Å; W39-L59 HydrophobicContact CZ2-CB 4.4Å; W39-L61 HydrophobicContact CD2-CB 4.15Å; W39-L61 HydrophobicContact CD2-CD2 4.11Å; W39-L61 HydrophobicContact CE3-CB 4.39Å; W39-L61 HydrophobicContact CE3-CD2 3.8Å; W39-L61 HydrophobicContact CH2-CB 3.66Å; W39-L61 HydrophobicContact CH2-CD2 4.2Å; W39-L61 HydrophobicContact CZ2-CB 3.42Å; W39-L61 VanDerWaalsContact CZ2-CB 3.42Å; W39-L61 HydrophobicContact CZ3-CB 4.16Å; W39-L61 HydrophobicContact CZ3-CD2 3.83Å; W39-V75 HydrophobicContact CE3-CG1 3.78Å; W39-V75 HydrophobicContact CZ3-CG1 3.51Å; W39-C77 HydrophobicContact CD2-CB 4.5Å; W39-C77 HydrophobicContact CE3-CB 3.9Å; W39-C77 HydrophobicContact CZ3-CB 4Å
40	I	78.7	Confident	69.9	Low	55 Å²	55	68.4 Å²	68.4	28%	0.282	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	113	168.1	-60.1	155.8	0	0	0	106.7	T76	I40-T76 HydrophobicContact CD1-CG2 3.96Å; I40-T76 PolarHBondContact N-O 3.32Å
41	L	72.9	Confident	70.8	Confident	5 Å²	5	69.7 Å²	69.7	3%	0.026	37%	0.373	C	S	.	.			trans	-131.5	23.7	-170	-54.2	177.1	0	0	0	113	W39 E43 L44 E45 V50 L61 V75	W39-L41 HydrophobicContact CB-CD1 3.92Å; W39-L41 HydrophobicContact CB-CD2 4.02Å; W39-L41 HydrophobicContact CB-CG 3.76Å; W39-L41 HydrophobicContact CE3-CD2 4.5Å; L41-E43 PolarHBondContact O-N 2.85Å; L41-E43 VanDerWaalsContact O-N 3.12Å; L41-L44 HydrophobicContact CB-CB 4.31Å; L41-L44 HydrophobicContact CB-CD1 4.26Å; L41-L44 HydrophobicContact CD2-CD1 3.56Å; L41-L44 HydrophobicContact CG-CD1 4.49Å; L41-L44 PolarHBondContact O-N 3.4Å; L41-E45 HydrophobicContact CB-CG 4.11Å; L41-E45 PolarHBondContact O-N 2.82Å; L41-E45 VanDerWaalsContact O-N 3.15Å; L41-V50 HydrophobicContact CD1-CG1 3.52Å; L41-L61 HydrophobicContact CD1-CD1 3.63Å; L41-L61 HydrophobicContact CD1-CD2 4.34Å; L41-L61 HydrophobicContact CD2-CD2 3.76Å; L41-V75 HydrophobicContact CD2-CG1 4.15Å
42	T	65.3	Low	71.7	Confident	108 Å²	108	72.7 Å²	72.7	66%	0.663	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-30.7	-172.2	41.2	0	0	0	0	114.6
43	E	62.3	Low	72.6	Confident	94 Å²	94	64.5 Å²	64.5	44%	0.439	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-14.1	175.4	-66.7	-173.6	-132.5	0	0	114.1	L41 K73	L41-E43 PolarHBondContact O-N 2.85Å; L41-E43 VanDerWaalsContact O-N 3.12Å; E43-K73 WeakPolarHBondContact OE2-CD 3.37Å; E43-K73 WeakPolarHBondContact OE2-CE 3.12Å; E43-K73 IonicContact OE2-NZ 2.82Å; E43-K73 PolarHBondContact OE2-NZ 2.91Å
44	L	65.8	Low	72.9	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-31.5	-168.4	-60.4	164	0	0	0	112.4	L41 Q46 S47 A48 L70 K73 V75	L41-L44 HydrophobicContact CB-CB 4.31Å; L41-L44 HydrophobicContact CB-CD1 4.26Å; L41-L44 HydrophobicContact CD2-CD1 3.56Å; L41-L44 HydrophobicContact CG-CD1 4.49Å; L41-L44 PolarHBondContact O-N 3.4Å; L44-Q46 PolarHBondContact O-N 2.95Å; L44-Q46 VanDerWaalsContact O-N 3.15Å; L44-S47 PolarHBondContact O-N 3.33Å; L44-S47 VanDerWaalsContact O-N 3.1Å; L44-A48 PolarHBondContact O-N 2.82Å; L44-A48 VanDerWaalsContact O-N 3.12Å; L44-L70 HydrophobicContact CB-CD2 4.49Å; L44-L70 HydrophobicContact CD2-CD2 3.51Å; L44-K73 HydrophobicContact CD2-CB 3.92Å; L44-V75 HydrophobicContact CD1-CB 4.31Å; L44-V75 HydrophobicContact CD1-CG2 3.58Å
45	E	66.2	Low	72.7	Confident	106 Å²	106	65.9 Å²	65.9	50%	0.495	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-12	-179	-72.3	174.8	175.6	0	0	113.6	L41 V50 K52	L41-E45 HydrophobicContact CB-CG 4.11Å; L41-E45 PolarHBondContact O-N 2.82Å; L41-E45 VanDerWaalsContact O-N 3.15Å; E45-V50 HydrophobicContact CB-CG2 4.38Å; E45-V50 HydrophobicContact CG-CB 4.34Å; E45-V50 HydrophobicContact CG-CG2 3.67Å; E45-K52 IonicContact OE1-NZ 3.41Å; E45-K52 PolarHBondContact OE1-NZ 3.11Å
46	Q	64.4	Low	72.4	Confident	146 Å²	146	63.6 Å²	63.6	68%	0.682	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-18.4	173.1	-66	-176.9	23.5	0	0	114	L44	L44-Q46 PolarHBondContact O-N 2.95Å; L44-Q46 VanDerWaalsContact O-N 3.15Å
47	S	63.9	Low	71.8	Confident	42 Å²	42	62.2 Å²	62.2	29%	0.294	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-10	-168.7	-56.2	0	0	0	0	114.8	L44	L44-S47 PolarHBondContact O-N 3.33Å; L44-S47 VanDerWaalsContact O-N 3.1Å
48	A	70.3	Confident	71.4	Confident	14 Å²	14	63.1 Å²	63.1	12%	0.116	37%	0.372	C	S	.	.	S	Bend	trans	-143.1	158	171	0	0	0	0	0	111.9	L44 V50 L63 L70	L44-A48 PolarHBondContact O-N 2.82Å; L44-A48 VanDerWaalsContact O-N 3.12Å; A48-V50 PolarHBondContact O-N 2.85Å; A48-L63 HydrophobicContact CB-CB 4.14Å; A48-L63 HydrophobicContact CB-CD2 4.07Å; A48-L63 HydrophobicContact CB-CG 4.48Å; A48-L70 HydrophobicContact CB-CD1 3.6Å; A48-L70 HydrophobicContact CB-CD2 4.4Å
49	T	78.3	Confident	71.4	Confident	84 Å²	84	63.5 Å²	63.5	52%	0.515	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	114.9	169	-54.4	0	0	0	0	109.5	L63 A64	T49-L63 WeakPolarHBondContact O-CA 3.44Å; T49-A64 PolarHBondContact N-O 2.94Å; T49-A64 PolarHBondContact O-N 2.8Å
50	V	79.3	Confident	71.3	Confident	35 Å²	35	62.3 Å²	62.3	21%	0.212	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	121.6	-175.8	-174.5	0	0	0	0	111.3	L41 E45 A48 K52 L61 L63	L41-V50 HydrophobicContact CD1-CG1 3.52Å; E45-V50 HydrophobicContact CB-CG2 4.38Å; E45-V50 HydrophobicContact CG-CB 4.34Å; E45-V50 HydrophobicContact CG-CG2 3.67Å; A48-V50 PolarHBondContact O-N 2.85Å; V50-K52 HydrophobicContact CG1-CG 4.34Å; V50-L61 HydrophobicContact CG1-CD1 3.72Å; V50-L63 HydrophobicContact CB-CD2 4.25Å; V50-L63 HydrophobicContact CG1-CD2 4.31Å; V50-L63 HydrophobicContact CG2-CD2 3.65Å
51	M	79.3	Confident	71.5	Confident	92 Å²	92	59.7 Å²	59.7	45%	0.453	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119	171.6	-65.2	-179	-72.4	0	0	109.9	T62 A64	M51-T62 HydrophobicContact CE-CG2 3.89Å; M51-T62 PolarHBondContact N-O 2.84Å; M51-T62 PolarHBondContact O-N 2.92Å; M51-A64 HydrophobicContact CE-CB 4.07Å
52	K	81.3	Confident	71.7	Confident	117 Å²	117	61 Å²	61	51%	0.509	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	134.9	175.6	-65.1	164	-172.2	162.4	0	108.2	E45 V50 L61	E45-K52 IonicContact OE1-NZ 3.41Å; E45-K52 PolarHBondContact OE1-NZ 3.11Å; V50-K52 HydrophobicContact CG1-CG 4.34Å; K52-L61 HydrophobicContact CG-CD1 4Å
53	S	77.7	Confident	72.3	Confident	67 Å²	67	55.9 Å²	55.9	47%	0.469	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	160.7	-177.5	64.9	0	0	0	0	112.4	G60	S53-G60 PolarHBondContact N-O 2.83Å; S53-G60 PolarHBondContact O-N 3.4Å
54	G	70	Confident	72.9	Confident	72 Å²	72	52.3 Å²	52.3	74%	0.742	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	75.7	-166.6	-177.9	0	0	0	0	0	114.3
55	G	66.3	Low	73.2	Confident	39 Å²	39	57.5 Å²	57.5	40%	0.402	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172	170	-175.5	0	0	0	0	0	109.4	S58	G55-S58 PolarHBondContact N-O 2.87Å; G55-S58 CarbonylContact O-C 3.34Å; G55-S58 PolarHBondContact O-N 2.95Å
56	L	65.6	Low	73.6	Confident	80 Å²	80	52.5 Å²	52.5	42%	0.419	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	130.1	-174.4	-75	176.5	0	0	0	112.1	A29 L34 A37 L59	A29-L56 HydrophobicContact CB-CD2 4.34Å; L34-L56 HydrophobicContact CD2-CD2 3.6Å; L34-L56 HydrophobicContact CG-CD1 4.27Å; L34-L56 HydrophobicContact CG-CD2 3.92Å; A37-L56 HydrophobicContact CB-CD2 3.72Å; L56-L59 HydrophobicContact CD2-CD1 4.07Å
57	P	64.4	Low	74	Confident	80 Å²	80	47.6 Å²	47.6	52%	0.519	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	cis	-91.9	2.3	10.2	37.1	-37	0	0	0	115.8	A29	A29-P57 PolarHBondContact N-O 2.71Å; A29-P57 WeakPolarHBondContact O-CB 3.04Å
58	S	71.1	Confident	74.6	Confident	47 Å²	47	47.5 Å²	47.5	33%	0.329	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	109.6	-173.2	59	0	0	0	0	113.3	I27 G55	I27-S58 VanDerWaalsContact O-CA 3.31Å; I27-S58 WeakPolarHBondContact O-CA 3.49Å; G55-S58 PolarHBondContact N-O 2.87Å; G55-S58 CarbonylContact O-C 3.34Å; G55-S58 PolarHBondContact O-N 2.95Å
59	L	77.5	Confident	74.7	Confident	21 Å²	21	51.7 Å²	51.7	11%	0.11	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	129.2	175.5	-76.7	81	0	0	0	110.3	I27 A37 W39 L56	I27-L59 PolarHBondContact N-O 2.92Å; I27-L59 PolarHBondContact O-N 2.8Å; A37-L59 HydrophobicContact CB-CD1 3.9Å; A37-L59 HydrophobicContact CB-CD2 4.18Å; W39-L59 HydrophobicContact CZ2-CB 4.4Å; L56-L59 HydrophobicContact CD2-CD1 4.07Å
60	G	77	Confident	74.6	Confident	5 Å²	5	47.8 Å²	47.8	5%	0.052	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	144.4	171.9	0	0	0	0	0	111.7	W25 S53	W25-G60 WeakPolarHBondContact O-CA 3.31Å; S53-G60 PolarHBondContact N-O 2.83Å; S53-G60 PolarHBondContact O-N 3.4Å
61	L	81.6	Confident	74.5	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	129.8	169.6	-179.1	70.8	0	0	0	108.8	A24 W25 W39 L41 V50 K52 V75	A24-L61 CarbonylContact C-O 3.55Å; A24-L61 WeakPolarHBondContact CA-O 3.33Å; W25-L61 HydrophobicContact CE3-CD2 4.08Å; W25-L61 HydrophobicContact CE3-CG 4.39Å; W25-L61 HydrophobicContact CZ3-CD2 4.45Å; W25-L61 PolarHBondContact N-O 3.17Å; W25-L61 PolarHBondContact O-N 3.19Å; W39-L61 HydrophobicContact CD2-CB 4.15Å; W39-L61 HydrophobicContact CD2-CD2 4.11Å; W39-L61 HydrophobicContact CE3-CB 4.39Å; W39-L61 HydrophobicContact CE3-CD2 3.8Å; W39-L61 HydrophobicContact CH2-CB 3.66Å; W39-L61 HydrophobicContact CH2-CD2 4.2Å; W39-L61 HydrophobicContact CZ2-CB 3.42Å; W39-L61 VanDerWaalsContact CZ2-CB 3.42Å; W39-L61 HydrophobicContact CZ3-CB 4.16Å; W39-L61 HydrophobicContact CZ3-CD2 3.83Å; L41-L61 HydrophobicContact CD1-CD1 3.63Å; L41-L61 HydrophobicContact CD1-CD2 4.34Å; L41-L61 HydrophobicContact CD2-CD2 3.76Å; V50-L61 HydrophobicContact CG1-CD1 3.72Å; K52-L61 HydrophobicContact CG-CD1 4Å; L61-V75 HydrophobicContact CD2-CG1 3.63Å
62	T	78.6	Confident	74.4	Confident	33 Å²	33	45.9 Å²	45.9	20%	0.202	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125.3	172.7	-54.9	0	0	0	0	109.3	L22 L23 A24 M51	L22-T62 HydrophobicContact CD2-CG2 3.89Å; L23-T62 CarbonylContact O-C 3.58Å; L23-T62 VanDerWaalsContact O-CA 3.31Å; L23-T62 WeakPolarHBondContact O-CA 3.42Å; A24-T62 HydrophobicContact CB-CG2 4.45Å; M51-T62 HydrophobicContact CE-CG2 3.89Å; M51-T62 PolarHBondContact N-O 2.84Å; M51-T62 PolarHBondContact O-N 2.92Å
63	L	77.6	Confident	74.2	Confident	0 Å²	0	43 Å²	43	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.7	167.4	-63.2	179.7	0	0	0	108.7	L23 W25 A48 T49 V50 V66	L23-L63 HydrophobicContact CB-CB 4.45Å; L23-L63 PolarHBondContact N-O 3.14Å; L23-L63 PolarHBondContact O-N 3.16Å; W25-L63 HydrophobicContact CH2-CD1 3.86Å; W25-L63 HydrophobicContact CH2-CG 4.48Å; W25-L63 HydrophobicContact CZ3-CB 4.36Å; W25-L63 HydrophobicContact CZ3-CD1 3.65Å; W25-L63 HydrophobicContact CZ3-CG 3.81Å; A48-L63 HydrophobicContact CB-CB 4.14Å; A48-L63 HydrophobicContact CB-CD2 4.07Å; A48-L63 HydrophobicContact CB-CG 4.48Å; T49-L63 WeakPolarHBondContact O-CA 3.44Å; V50-L63 HydrophobicContact CB-CD2 4.25Å; V50-L63 HydrophobicContact CG1-CD2 4.31Å; V50-L63 HydrophobicContact CG2-CD2 3.65Å; L63-V66 HydrophobicContact CB-CG2 4.03Å
64	A	74.6	Confident	74.2	Confident	19 Å²	19	42.8 Å²	42.8	16%	0.157	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	154.4	172.6	0	0	0	0	0	110.7	L22 T49 M51	L22-A64 HydrophobicContact CD2-CB 3.59Å; T49-A64 PolarHBondContact N-O 2.94Å; T49-A64 PolarHBondContact O-N 2.8Å; M51-A64 HydrophobicContact CE-CB 4.07Å
65	N	72.7	Confident	74.6	Confident	108 Å²	108	39.4 Å²	39.4	58%	0.578	23%	0.228	S	C	*	.	S	Bend	trans	58.8	48.8	-177.1	-162	39.1	0	0	0	113.3	T67	N65-T67 PolarHBondContact O-N 3.1Å
66	V	73.3	Confident	75.3	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.006	21%	0.214	C	C	.	.			trans	-68.6	123.2	-177.1	175.3	0	0	0	0	111.2	P19 G20 S21 L23 L63 L70 V94	P19-V66 CarbonylContact C-O 3.57Å; P19-V66 WeakPolarHBondContact CA-O 3.24Å; G20-V66 PolarHBondContact N-O 3.15Å; S21-V66 WeakPolarHBondContact O-CG2 3.48Å; L23-V66 HydrophobicContact CB-CG2 4.43Å; L23-V66 HydrophobicContact CD1-CG1 4.06Å; L23-V66 HydrophobicContact CD1-CG2 4.08Å; L23-V66 HydrophobicContact CG-CG2 4.28Å; L63-V66 HydrophobicContact CB-CG2 4.03Å; V66-L70 HydrophobicContact CB-CD1 4.1Å; V66-L70 HydrophobicContact CG1-CB 4.38Å; V66-L70 HydrophobicContact CG1-CD1 3.74Å; V66-L70 HydrophobicContact CG2-CD1 4.34Å; V66-V94 HydrophobicContact CG1-CB 4.43Å; V66-V94 HydrophobicContact CG1-CG1 3.98Å; V66-V94 HydrophobicContact CG1-CG2 3.52Å
67	T	74.4	Confident	76	Confident	44 Å²	44	34.8 Å²	34.8	27%	0.27	20%	0.196	S	C	.	.			trans	-95.9	173.2	172.5	68.4	0	0	0	0	112.5	N65 D69 L70	N65-T67 PolarHBondContact O-N 3.1Å; T67-D69 WeakPolarHBondContact CB-OD2 3.45Å; T67-D69 PolarHBondContact O-N 3.45Å; T67-D69 PolarHBondContact OG1-N 3.15Å; T67-D69 PolarHBondContact OG1-OD2 2.88Å; T67-L70 PolarHBondContact O-N 3.12Å
68	S	75.4	Confident	76.9	Confident	40 Å²	40	32.9 Å²	32.9	28%	0.28	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-58.9	-30.7	172.1	40.7	0	0	0	0	113.2	L70 N71	S68-L70 PolarHBondContact O-N 2.98Å; S68-L70 VanDerWaalsContact O-N 3.11Å; S68-N71 WeakPolarHBondContact O-CB 3.39Å; S68-N71 PolarHBondContact O-N 3.23Å
69	D	73.8	Confident	77.3	Confident	102 Å²	102	31.4 Å²	31.4	55%	0.545	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-66.1	-16.5	-174.2	-36.9	-55.6	0	0	0	113.4	T67	T67-D69 WeakPolarHBondContact CB-OD2 3.45Å; T67-D69 PolarHBondContact O-N 3.45Å; T67-D69 PolarHBondContact OG1-N 3.15Å; T67-D69 PolarHBondContact OG1-OD2 2.88Å
70	L	74.6	Confident	77.5	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-83.6	-11.4	175.7	-68.7	159.6	0	0	0	112.8	L44 A48 V66 T67 S68 K73 V92 V94	L44-L70 HydrophobicContact CB-CD2 4.49Å; L44-L70 HydrophobicContact CD2-CD2 3.51Å; A48-L70 HydrophobicContact CB-CD1 3.6Å; A48-L70 HydrophobicContact CB-CD2 4.4Å; V66-L70 HydrophobicContact CB-CD1 4.1Å; V66-L70 HydrophobicContact CG1-CB 4.38Å; V66-L70 HydrophobicContact CG1-CD1 3.74Å; V66-L70 HydrophobicContact CG2-CD1 4.34Å; T67-L70 PolarHBondContact O-N 3.12Å; S68-L70 PolarHBondContact O-N 2.98Å; S68-L70 VanDerWaalsContact O-N 3.11Å; L70-K73 WeakPolarHBondContact O-CB 3.44Å; L70-K73 WeakPolarHBondContact O-CG 3.37Å; L70-K73 PolarHBondContact O-N 3.12Å; L70-V92 WeakPolarHBondContact O-CB 3.47Å; L70-V94 HydrophobicContact CB-CG2 4.3Å
71	N	78.6	Confident	77.6	Confident	5 Å²	5	35.6 Å²	35.6	3%	0.027	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	139.2	-178.7	-165.8	29.5	0	0	0	111.1	S68 K73 V92 N93 V94 F96 Q120 T152	S68-N71 WeakPolarHBondContact O-CB 3.39Å; S68-N71 PolarHBondContact O-N 3.23Å; N71-K73 PolarHBondContact O-N 2.9Å; N71-K73 VanDerWaalsContact O-N 3.11Å; N71-V92 PolarHBondContact OD1-O 3.2Å; N71-N93 WeakPolarHBondContact OD1-CA 3.3Å; N71-V94 HydrophobicContact CB-CB 4.12Å; N71-V94 HydrophobicContact CB-CG2 4.32Å; N71-V94 PolarHBondContact ND2-O 3.11Å; N71-V94 PolarHBondContact OD1-N 3.23Å; N71-F96 HydrophobicContact CB-CE1 3.98Å; N71-Q120 WeakPolarHBondContact ND2-CB 3.46Å; N71-Q120 WeakPolarHBondContact ND2-CG 3.35Å; N71-T152 HydrophobicContact CB-CG2 3.97Å; N71-T152 WeakPolarHBondContact ND2-CG2 3.4Å
72	R	75.7	Confident	77.4	Confident	82 Å²	82	41.6 Å²	41.6	31%	0.309	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	2	-172.7	-57.9	-178.6	172.7	-170.4	-8.6	116.2	Q91 V92 E151 T152	R72-Q91 PolarHBondContact O-NE2 2.8Å; R72-V92 WeakPolarHBondContact CA-O 3.32Å; R72-V92 PolarHBondContact N-O 3.41Å; R72-E151 WeakPolarHBondContact CD-O 3.28Å; R72-E151 PolarHBondContact NH1-O 3.02Å; R72-T152 HydrophobicContact CG-CG2 4.03Å
73	K	77.8	Confident	77.1	Confident	58 Å²	58	46.4 Å²	46.4	25%	0.252	25%	0.249	S	C	.	.			trans	-70.1	146.7	172.8	-63	-56.7	-160.7	167.8	0	111.5	E43 L44 L70 N71 Q91 V92	E43-K73 WeakPolarHBondContact OE2-CD 3.37Å; E43-K73 WeakPolarHBondContact OE2-CE 3.12Å; E43-K73 IonicContact OE2-NZ 2.82Å; E43-K73 PolarHBondContact OE2-NZ 2.91Å; L44-K73 HydrophobicContact CD2-CB 3.92Å; L70-K73 WeakPolarHBondContact O-CB 3.44Å; L70-K73 WeakPolarHBondContact O-CG 3.37Å; L70-K73 PolarHBondContact O-N 3.12Å; N71-K73 PolarHBondContact O-N 2.9Å; N71-K73 VanDerWaalsContact O-N 3.11Å; K73-Q91 CarbonylContact O-C 3.56Å; K73-Q91 WeakPolarHBondContact O-CA 3.48Å; K73-V92 PolarHBondContact O-N 2.76Å
74	N	78.2	Confident	76.8	Confident	62 Å²	62	48 Å²	48	33%	0.332	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	128.1	179.1	-76.4	-32	0	0	0	111.6	Q91	N74-Q91 WeakPolarHBondContact OD1-CG 3.48Å
75	V	77.8	Confident	77.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	113.6	159.2	175.7	0	0	0	0	106.9	W12 W25 W39 L41 L44 L61 S89 V90 V92	W12-V75 HydrophobicContact CH2-CG1 4.46Å; W25-V75 HydrophobicContact CH2-CG2 4.09Å; W25-V75 HydrophobicContact CZ2-CG2 4.36Å; W25-V75 HydrophobicContact CZ3-CG2 4.28Å; W39-V75 HydrophobicContact CE3-CG1 3.78Å; W39-V75 HydrophobicContact CZ3-CG1 3.51Å; L41-V75 HydrophobicContact CD2-CG1 4.15Å; L44-V75 HydrophobicContact CD1-CB 4.31Å; L44-V75 HydrophobicContact CD1-CG2 3.58Å; L61-V75 HydrophobicContact CD2-CG1 3.63Å; V75-S89 CarbonylContact O-C 3.52Å; V75-S89 WeakPolarHBondContact O-CA 3.39Å; V75-V90 PolarHBondContact N-O 3.26Å; V75-V90 PolarHBondContact O-N 3.17Å; V75-V92 HydrophobicContact CG2-CG2 3.53Å
76	T	80.6	Confident	77.2	Confident	18 Å²	18	49.9 Å²	49.9	11%	0.11	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	128.9	178.6	-55.9	0	0	0	0	110.5	I40 E87 V88 S89	I40-T76 HydrophobicContact CD1-CG2 3.96Å; I40-T76 PolarHBondContact N-O 3.32Å; T76-E87 HydrophobicContact CG2-CB 4.33Å; T76-V88 WeakPolarHBondContact CA-O 3.32Å; T76-S89 WeakPolarHBondContact CG2-OG 3.15Å; T76-S89 PolarHBondContact OG1-OG 2.98Å
77	C	81.4	Confident	77.6	Confident	4 Å²	4	54.5 Å²	54.5	3%	0.027	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	156.5	167.4	71.8	0	0	0	0	110.5	W12 I27 G38 W39 E87 V88	W12-C77 HydrophobicContact CH2-CB 4.37Å; W12-C77 HydrophobicContact CZ2-CB 4.48Å; I27-C77 HydrophobicContact CD1-CB 3.31Å; I27-C77 WeakPolarHBondContact CD1-SG 3.39Å; G38-C77 WeakPolarHBondContact O-CA 3.45Å; W39-C77 HydrophobicContact CD2-CB 4.5Å; W39-C77 HydrophobicContact CE3-CB 3.9Å; W39-C77 HydrophobicContact CZ3-CB 4Å; C77-E87 VanDerWaalsContact O-CA 3.3Å; C77-E87 WeakPolarHBondContact O-CA 3.39Å; C77-V88 PolarHBondContact N-O 3.21Å; C77-V88 PolarHBondContact O-N 3.19Å; C77-V88 PolarHBondContact SG-O 3.02Å; C77-V88 VanDerWaalsContact SG-O 3.4Å
78	W	82.4	Confident	77.5	Confident	41 Å²	41	54.9 Å²	54.9	16%	0.155	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	154.2	173.1	66.4	-88.1	0	0	0	111.3	Q36 A37 G38 E80 R85 A86 E87	Q36-W78 HydrophobicContact CB-CH2 3.91Å; Q36-W78 HydrophobicContact CB-CZ3 3.91Å; A37-W78 CarbonylContact C-O 3.37Å; A37-W78 VanDerWaalsContact CA-O 3.23Å; A37-W78 WeakPolarHBondContact CA-O 3.23Å; A37-W78 WeakPolarHBondContact CB-O 3.31Å; G38-W78 PolarHBondContact N-O 3.28Å; G38-W78 PolarHBondContact O-N 2.87Å; W78-E80 HydrophobicContact CE3-CB 4.13Å; W78-E80 HydrophobicContact CZ3-CB 3.81Å; W78-E80 WeakPolarHBondContact CZ3-OE2 3.26Å; W78-R85 HydrophobicContact CB-CG 4.37Å; W78-R85 VanDerWaalsContact CD2-CZ 3.43Å; W78-R85 HydrophobicContact CE3-CG 4.15Å; W78-R85 VanDerWaalsContact CG-CZ 3.49Å; W78-A86 CarbonylContact C-O 3.49Å; W78-A86 VanDerWaalsContact CA-O 3.24Å; W78-A86 WeakPolarHBondContact CA-O 3.18Å; W78-E87 HydrophobicContact CB-CG 3.85Å
79	A	80.2	Confident	77.6	Confident	15 Å²	15	56 Å²	56	12%	0.124	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	143.7	176.7	0	0	0	0	0	109.7	L34 Q36 A37 R85 A86	L34-A79 HydrophobicContact CD1-CB 4.04Å; Q36-A79 WeakPolarHBondContact O-CA 3.28Å; A37-A79 HydrophobicContact CB-CB 4.18Å; A79-R85 WeakPolarHBondContact O-CA 3.39Å; A79-A86 PolarHBondContact N-O 2.97Å; A79-A86 PolarHBondContact O-N 3.2Å
80	E	80.4	Confident	77.6	Confident	68 Å²	68	52.7 Å²	52.7	32%	0.318	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	140.8	-170.8	-173.4	158.9	-156	0	0	112.1	E35 Q36 W78 R85	E35-E80 PolarHBondContact N-O 3.04Å; Q36-E80 PolarHBondContact N-O 2.88Å; Q36-E80 PolarHBondContact O-N 2.94Å; W78-E80 HydrophobicContact CE3-CB 4.13Å; W78-E80 HydrophobicContact CZ3-CB 3.81Å; W78-E80 WeakPolarHBondContact CZ3-OE2 3.26Å; E80-R85 HydrophobicContact CB-CB 4.22Å; E80-R85 HydrophobicContact CB-CG 4.48Å; E80-R85 HydrophobicContact CG-CB 4.09Å
81	N	80.7	Confident	77.7	Confident	46 Å²	46	57.3 Å²	57.3	25%	0.246	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	-178.1	174.5	72.5	-6.6	0	0	0	110.6	R32 G33 V83 G84	R32-N81 PolarHBondContact O-ND2 2.79Å; R32-N81 VanDerWaalsContact O-ND2 3.12Å; G33-N81 WeakPolarHBondContact O-CA 3.44Å; G33-N81 WeakPolarHBondContact O-CB 3.48Å; N81-V83 PolarHBondContact O-N 3.42Å; N81-V83 WeakPolarHBondContact OD1-CB 3.46Å; N81-V83 PolarHBondContact OD1-N 3.35Å; N81-V83 VanDerWaalsContact OD1-N 3.11Å; N81-G84 PolarHBondContact N-O 2.67Å; N81-G84 PolarHBondContact O-N 3.49Å; N81-G84 PolarHBondContact OD1-N 2.84Å; N81-G84 PolarHBondContact OD1-O 2.72Å
82	D	75.6	Confident	77.6	Confident	127 Å²	127	57.2 Å²	57.2	68%	0.679	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-14.8	178.8	-29.8	-16.1	0	0	0	115.3
83	V	73.9	Confident	77.7	Confident	133 Å²	133	56.7 Å²	56.7	81%	0.806	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-15.7	-178.8	-170.1	0	0	0	0	112	N81	N81-V83 PolarHBondContact O-N 3.42Å; N81-V83 WeakPolarHBondContact OD1-CB 3.46Å; N81-V83 PolarHBondContact OD1-N 3.35Å; N81-V83 VanDerWaalsContact OD1-N 3.11Å
84	G	71.5	Confident	77.7	Confident	33 Å²	33	54 Å²	54	34%	0.34	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	130.3	-174.6	175.6	0	0	0	0	0	114.3	N81	N81-G84 PolarHBondContact N-O 2.67Å; N81-G84 PolarHBondContact O-N 3.49Å; N81-G84 PolarHBondContact OD1-N 2.84Å; N81-G84 PolarHBondContact OD1-O 2.72Å
85	R	80.1	Confident	77.8	Confident	112 Å²	112	51.9 Å²	51.9	42%	0.423	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	139	-174.5	-179.2	167.5	163.4	152.5	-9.8	112.9	W78 A79 E80 E87	W78-R85 HydrophobicContact CB-CG 4.37Å; W78-R85 VanDerWaalsContact CD2-CZ 3.43Å; W78-R85 HydrophobicContact CE3-CG 4.15Å; W78-R85 VanDerWaalsContact CG-CZ 3.49Å; A79-R85 WeakPolarHBondContact O-CA 3.39Å; E80-R85 HydrophobicContact CB-CB 4.22Å; E80-R85 HydrophobicContact CB-CG 4.48Å; E80-R85 HydrophobicContact CG-CB 4.09Å; R85-E87 HydrophobicContact CG-CG 4.33Å; R85-E87 IonicContact CZ-OE1 3.76Å; R85-E87 IonicContact NE-OE1 3.8Å; R85-E87 PolarHBondContact NE-OE1 3.29Å; R85-E87 IonicContact NH2-OE1 2.71Å; R85-E87 PolarHBondContact NH2-OE1 3.22Å
86	A	74.8	Confident	77.9	Confident	56 Å²	56	52.5 Å²	52.5	46%	0.463	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142	171.9	0	0	0	0	0	110.2	W78 A79	W78-A86 CarbonylContact C-O 3.49Å; W78-A86 VanDerWaalsContact CA-O 3.24Å; W78-A86 WeakPolarHBondContact CA-O 3.18Å; A79-A86 PolarHBondContact N-O 2.97Å; A79-A86 PolarHBondContact O-N 3.2Å
87	E	80.8	Confident	77.9	Confident	98 Å²	98	54.6 Å²	54.6	46%	0.458	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146.7	-178.4	-50.2	-160.1	144.5	0	0	111.4	T76 C77 W78 R85	T76-E87 HydrophobicContact CG2-CB 4.33Å; C77-E87 VanDerWaalsContact O-CA 3.3Å; C77-E87 WeakPolarHBondContact O-CA 3.39Å; W78-E87 HydrophobicContact CB-CG 3.85Å; R85-E87 HydrophobicContact CG-CG 4.33Å; R85-E87 IonicContact CZ-OE1 3.76Å; R85-E87 IonicContact NE-OE1 3.8Å; R85-E87 PolarHBondContact NE-OE1 3.29Å; R85-E87 IonicContact NH2-OE1 2.71Å; R85-E87 PolarHBondContact NH2-OE1 3.22Å
88	V	73.8	Confident	78.1	Confident	52 Å²	52	54.8 Å²	54.8	32%	0.315	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	131.8	173.9	177.1	0	0	0	0	109.3	L10 W12 T76 C77	L10-V88 HydrophobicContact CD1-CB 4.15Å; L10-V88 HydrophobicContact CD1-CG2 3.51Å; W12-V88 HydrophobicContact CZ2-CG1 4.08Å; T76-V88 WeakPolarHBondContact CA-O 3.32Å; C77-V88 PolarHBondContact N-O 3.21Å; C77-V88 PolarHBondContact O-N 3.19Å; C77-V88 PolarHBondContact SG-O 3.02Å; C77-V88 VanDerWaalsContact SG-O 3.4Å
89	S	77.5	Confident	78.2	Confident	62 Å²	62	55.5 Å²	55.5	43%	0.434	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	144.5	177.8	-49.9	0	0	0	0	111.5	V75 T76	V75-S89 CarbonylContact O-C 3.52Å; V75-S89 WeakPolarHBondContact O-CA 3.39Å; T76-S89 WeakPolarHBondContact CG2-OG 3.15Å; T76-S89 PolarHBondContact OG1-OG 2.98Å
90	V	73.6	Confident	78.5	Confident	34 Å²	34	55.6 Å²	55.6	21%	0.206	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	133.1	171.4	162	0	0	0	0	108.8	W12 V75	W12-V90 HydrophobicContact CD2-CG2 3.8Å; W12-V90 HydrophobicContact CE3-CG2 4.23Å; W12-V90 HydrophobicContact CG-CG2 4.14Å; W12-V90 HydrophobicContact CH2-CB 4.39Å; W12-V90 HydrophobicContact CH2-CG2 4.22Å; W12-V90 HydrophobicContact CZ2-CB 4.45Å; W12-V90 HydrophobicContact CZ2-CG2 3.86Å; W12-V90 HydrophobicContact CZ3-CG2 4.42Å; V75-V90 PolarHBondContact N-O 3.26Å; V75-V90 PolarHBondContact O-N 3.17Å
91	Q	76	Confident	78.3	Confident	98 Å²	98	58.1 Å²	58.1	46%	0.458	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	131.7	170.7	-78.6	-173.9	-23.9	0	0	110.9	R72 K73 N74	R72-Q91 PolarHBondContact O-NE2 2.8Å; K73-Q91 CarbonylContact O-C 3.56Å; K73-Q91 WeakPolarHBondContact O-CA 3.48Å; N74-Q91 WeakPolarHBondContact OD1-CG 3.48Å
92	V	76.8	Confident	78.1	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.012	33%	0.325	C	S	.	.			trans	-70.9	136	170.3	-178.6	0	0	0	0	109.1	L23 W25 L70 N71 R72 K73 V75 V94	L23-V92 HydrophobicContact CD1-CG1 3.65Å; W25-V92 HydrophobicContact CH2-CG1 4.45Å; W25-V92 HydrophobicContact CH2-CG2 3.91Å; W25-V92 HydrophobicContact CZ2-CG2 4.04Å; L70-V92 WeakPolarHBondContact O-CB 3.47Å; N71-V92 PolarHBondContact OD1-O 3.2Å; R72-V92 WeakPolarHBondContact CA-O 3.32Å; R72-V92 PolarHBondContact N-O 3.41Å; K73-V92 PolarHBondContact O-N 2.76Å; V75-V92 HydrophobicContact CG2-CG2 3.53Å; V92-V94 HydrophobicContact CG1-CG2 3.79Å
93	N	77	Confident	77.7	Confident	72 Å²	72	53.2 Å²	53.2	39%	0.385	30%	0.303	S	S	.	.			trans	-121.9	105.6	177.3	-174.2	26.2	0	0	0	109.8	N71 Q120	N71-N93 WeakPolarHBondContact OD1-CA 3.3Å; N93-Q120 PolarHBondContact OD1-NE2 3.31Å
94	V	79.5	Confident	77.3	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-109.9	121.9	178.9	-167.9	0	0	0	0	108.3	A17 V66 L70 N71 V92 F96 Q120	A17-V94 WeakPolarHBondContact O-CA 3.48Å; V66-V94 HydrophobicContact CG1-CB 4.43Å; V66-V94 HydrophobicContact CG1-CG1 3.98Å; V66-V94 HydrophobicContact CG1-CG2 3.52Å; L70-V94 HydrophobicContact CB-CG2 4.3Å; N71-V94 HydrophobicContact CB-CB 4.12Å; N71-V94 HydrophobicContact CB-CG2 4.32Å; N71-V94 PolarHBondContact ND2-O 3.11Å; N71-V94 PolarHBondContact OD1-N 3.23Å; V92-V94 HydrophobicContact CG1-CG2 3.79Å; V94-F96 VanDerWaalsContact O-CD1 3.32Å; V94-F96 WeakPolarHBondContact O-CD1 3.37Å; V94-Q120 WeakPolarHBondContact O-CB 3.48Å; V94-Q120 VanDerWaalsContact O-CG 3.23Å; V94-Q120 WeakPolarHBondContact O-CG 3.49Å
95	S	79.5	Confident	77	Confident	19 Å²	19	51.1 Å²	51.1	13%	0.133	29%	0.286	C	S	.	.			trans	-87.5	135.3	175	-61.9	0	0	0	0	110.2	A17 G18 P19 Q120	A17-S95 PolarHBondContact O-N 3.08Å; G18-S95 WeakPolarHBondContact CA-O 3.46Å; P19-S95 WeakPolarHBondContact CD-O 3.29Å; S95-Q120 CarbonylContact C-O 3.52Å; S95-Q120 VanDerWaalsContact CA-O 3.27Å; S95-Q120 WeakPolarHBondContact CA-O 3.42Å
96	F	80.5	Confident	75.6	Confident	12 Å²	12	47.3 Å²	47.3	5%	0.053	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	154	-178.5	58.3	-92.4	0	0	0	111.7	P19 N71 V94 D118 G119 Q120 N177	P19-F96 HydrophobicContact CG-CB 3.91Å; N71-F96 HydrophobicContact CB-CE1 3.98Å; V94-F96 VanDerWaalsContact O-CD1 3.32Å; V94-F96 WeakPolarHBondContact O-CD1 3.37Å; F96-D118 HydrophobicContact CE2-CB 4.33Å; F96-D118 WeakPolarHBondContact CE2-OD2 3.29Å; F96-D118 WeakPolarHBondContact CZ-OD1 3.29Å; F96-D118 WeakPolarHBondContact CZ-OD2 3.12Å; F96-G119 VanDerWaalsContact CE2-CA 3.44Å; F96-Q120 HydrophobicContact CD1-CB 3.95Å; F96-Q120 HydrophobicContact CE1-CB 3.78Å; F96-Q120 HydrophobicContact CZ-CB 4.35Å; F96-Q120 PolarHBondContact N-O 2.84Å; F96-Q120 PolarHBondContact O-N 2.84Å; F96-Q120 VanDerWaalsContact O-O 3.11Å; F96-N177 PolarHBondContact O-ND2 3.14Å
97	P	80.8	Confident	74.5	Confident	63 Å²	63	50 Å²	50	41%	0.409	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	155.3	-179.1	25	-36.2	0	0	0	112.5
98	A	84.3	Confident	73	Confident	8 Å²	8	48.4 Å²	48.4	7%	0.066	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	143	173.9	0	0	0	0	0	111.7	D118 P123 A175 N177 A182	A98-D118 CarbonylContact C-O 3.58Å; A98-D118 WeakPolarHBondContact CA-O 3.31Å; A98-P123 HydrophobicContact CB-CB 3.84Å; A98-P123 HydrophobicContact CB-CG 4.25Å; A98-A175 HydrophobicContact CB-CB 4.21Å; A98-A175 WeakPolarHBondContact CB-O 3.44Å; A98-N177 PolarHBondContact N-OD1 3.47Å; A98-A182 VanDerWaalsContact O-CB 3.28Å; A98-A182 WeakPolarHBondContact O-CB 3.33Å
99	S	84.1	Confident	71.6	Confident	55 Å²	55	52.3 Å²	52.3	39%	0.385	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.1	168.5	74.6	0	0	0	0	109.8	V117 D118	S99-V117 WeakPolarHBondContact O-CA 3.44Å; S99-V117 WeakPolarHBondContact O-CG1 3.37Å; S99-D118 PolarHBondContact N-O 3.18Å; S99-D118 PolarHBondContact O-N 3.08Å
100	V	86.8	Confident	70.6	Confident	18 Å²	18	52.4 Å²	52.4	11%	0.109	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	142	179.1	60.6	0	0	0	0	111	S116 V117 L173 A175 A182 A184	V100-S116 CarbonylContact C-O 3.55Å; V100-S116 WeakPolarHBondContact CA-O 3.21Å; V100-V117 HydrophobicContact CB-CG2 3.99Å; V100-V117 HydrophobicContact CG2-CG2 3.64Å; V100-L173 HydrophobicContact CG2-CB 4.25Å; V100-L173 HydrophobicContact CG2-CD2 3.7Å; V100-L173 HydrophobicContact CG2-CG 3.94Å; V100-A175 HydrophobicContact CB-CB 4.13Å; V100-A175 HydrophobicContact CG1-CB 4.5Å; V100-A182 HydrophobicContact CG1-CB 3.83Å; V100-A184 HydrophobicContact CG1-CB 3.98Å; V100-A184 HydrophobicContact CG2-CB 4.3Å
101	Q	76.8	Confident	70.4	Confident	120 Å²	120	53 Å²	53	56%	0.561	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.3	136.6	171.7	-61.7	-178.4	2.8	0	0	108.8	F115 S116	Q101-F115 VanDerWaalsContact O-CA 3.29Å; Q101-F115 WeakPolarHBondContact O-CA 3.46Å; Q101-S116 PolarHBondContact N-O 2.91Å; Q101-S116 PolarHBondContact O-N 3.18Å
102	L	76	Confident	70.5	Confident	26 Å²	26	48.4 Å²	48.4	14%	0.136	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	150.3	168.5	-69.9	-174.7	0	0	0	109.8	I113 F115 W127 L173 A184 I186	L102-I113 HydrophobicContact CD2-CG2 4.47Å; L102-F115 HydrophobicContact CD2-CB 3.49Å; L102-F115 VanDerWaalsContact CD2-CB 3.49Å; L102-W127 HydrophobicContact CD1-CH2 4.46Å; L102-W127 HydrophobicContact CD1-CZ3 4.16Å; L102-W127 HydrophobicContact CD2-CH2 3.63Å; L102-W127 HydrophobicContact CD2-CZ3 4.14Å; L102-L173 HydrophobicContact CD1-CB 4.33Å; L102-L173 HydrophobicContact CD2-CB 4.01Å; L102-L173 HydrophobicContact CD2-CD2 4.18Å; L102-L173 HydrophobicContact CG-CB 4.42Å; L102-A184 HydrophobicContact CB-CB 4.16Å; L102-A184 HydrophobicContact CD1-CB 4.23Å; L102-A184 WeakPolarHBondContact CD1-O 3.36Å; L102-A184 HydrophobicContact CG-CB 3.78Å; L102-I186 HydrophobicContact CB-CB 4.33Å; L102-I186 HydrophobicContact CB-CG2 4.41Å; L102-I186 HydrophobicContact CD1-CB 4.18Å; L102-I186 HydrophobicContact CD1-CG2 3.77Å
103	H	68.1	Low	70.9	Confident	44 Å²	44	48.3 Å²	48.3	20%	0.204	26%	0.256	C	S	.	.			trans	-116.2	162.5	171	-57.4	-59.2	0	0	0	110.2	P114	H103-P114 HydrophobicContact CB-CB 4.28Å; H103-P114 HydrophobicContact CB-CG 4.11Å; H103-P114 PolarHBondContact N-O 3.04Å
104	T	65.4	Low	70.9	Confident	99 Å²	99	44.9 Å²	44.9	61%	0.607	24%	0.238	S	C	*	.			trans	-53	140.6	173.8	46.4	0	0	0	0	110.9	V106 P114 I186	T104-V106 WeakPolarHBondContact O-CG2 3.35Å; T104-P114 WeakPolarHBondContact O-CD 3.27Å; T104-I186 HydrophobicContact CG2-CD1 4.3Å
105	A	65.8	Low	71.2	Confident	24 Å²	24	45 Å²	45	20%	0.198	24%	0.239	C	C	.	.			trans	-57.6	139	173.3	0	0	0	0	0	110.2	W111 C112 I113 A188 F190	A105-W111 HydrophobicContact CB-CE3 4.15Å; A105-W111 HydrophobicContact CB-CZ3 4.3Å; A105-C112 VanDerWaalsContact CA-O 3.32Å; A105-C112 WeakPolarHBondContact CA-O 3.23Å; A105-I113 HydrophobicContact CB-CG1 4.04Å; A105-A188 HydrophobicContact CB-CB 4.11Å; A105-F190 HydrophobicContact CB-CE1 4.15Å
106	V	50.4	Low	71.3	Confident	31 Å²	31	44.9 Å²	44.9	19%	0.188	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-120.4	131.7	-180	-178.5	0	0	0	0	110.7	T104 C112 W326	T104-V106 WeakPolarHBondContact O-CG2 3.35Å; V106-C112 PolarHBondContact N-O 3.14Å; V106-C112 PolarHBondContact O-N 3Å; V106-W326 HydrophobicContact CB-CH2 4.36Å; V106-W326 HydrophobicContact CB-CZ2 3.91Å; V106-W326 HydrophobicContact CG1-CZ2 3.97Å; V106-W326 HydrophobicContact CG2-CH2 3.5Å; V106-W326 HydrophobicContact CG2-CZ2 3.5Å; V106-W326 VanDerWaalsContact CG2-CZ2 3.5Å
107	E	50.2	Low	71.6	Confident	114 Å²	114	44.4 Å²	44.4	53%	0.533	24%	0.236	S	C	.	.			trans	-70.6	127.6	175.9	-167.3	-174	177.8	0	0	110.4	W111	E107-W111 HydrophobicContact CB-CE3 4.45Å; E107-W111 HydrophobicContact CB-CH2 4.18Å; E107-W111 HydrophobicContact CB-CZ2 4.2Å; E107-W111 HydrophobicContact CB-CZ3 4.3Å; E107-W111 HydrophobicContact CG-CH2 4.48Å; E107-W111 HydrophobicContact CG-CZ2 4.02Å
108	M	49.4	Very low	71.8	Confident	63 Å²	63	42.5 Å²	42.5	31%	0.31	22%	0.222	S	C	.	.	S	Bend	trans	-147.6	-170.7	178.4	-74.3	-75.2	-77.6	0	0	106.3	H110 L328	M108-H110 VanDerWaalsContact CB-O 3.31Å; M108-H110 WeakPolarHBondContact CB-O 3.43Å; M108-H110 PolarHBondContact O-N 2.92Å; M108-H110 VanDerWaalsContact O-N 3.15Å; M108-L328 HydrophobicContact CE-CD2 4.48Å
109	H	46	Very low	71.8	Confident	135 Å²	135	42.3 Å²	42.3	63%	0.625	22%	0.221	S	C	*	.	S	Bend	trans	-59.2	-26.3	172	-153	41.2	0	0	0	113.6	R411	H109-R411 VanDerWaalsContact CB-NH2 3.31Å; H109-R411 PolarHBondContact ND1-NH2 3.27Å
110	H	55.4	Low	71.8	Confident	63 Å²	63	41.4 Å²	41.4	29%	0.292	21%	0.211	S	C	.	.	S	Bend	trans	-138.3	131.8	171.8	-62.6	20.6	0	0	0	105	M108 L160 N161	M108-H110 VanDerWaalsContact CB-O 3.31Å; M108-H110 WeakPolarHBondContact CB-O 3.43Å; M108-H110 PolarHBondContact O-N 2.92Å; M108-H110 VanDerWaalsContact O-N 3.15Å; H110-L160 CarbonylContact C-O 3.6Å; H110-N161 PolarHBondContact CE1-OD1 3.24Å; H110-N161 PolarHBondContact NE2-OD1 3.01Å
111	W	70	Confident	71.6	Confident	46 Å²	46	43.1 Å²	43.1	17%	0.174	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	149.7	-175.7	-74.9	72.5	0	0	0	111.8	A105 E107 R159 L160 P163 F190	A105-W111 HydrophobicContact CB-CE3 4.15Å; A105-W111 HydrophobicContact CB-CZ3 4.3Å; E107-W111 HydrophobicContact CB-CE3 4.45Å; E107-W111 HydrophobicContact CB-CH2 4.18Å; E107-W111 HydrophobicContact CB-CZ2 4.2Å; E107-W111 HydrophobicContact CB-CZ3 4.3Å; E107-W111 HydrophobicContact CG-CH2 4.48Å; E107-W111 HydrophobicContact CG-CZ2 4.02Å; W111-R159 WeakPolarHBondContact O-CA 3.38Å; W111-L160 HydrophobicContact CB-CB 4.36Å; W111-L160 PolarHBondContact N-O 2.82Å; W111-L160 PolarHBondContact O-N 2.95Å; W111-P163 HydrophobicContact CB-CG 3.86Å; W111-P163 VanDerWaalsContact CD1-CD 3.47Å; W111-P163 HydrophobicContact CD2-CG 4.44Å; W111-P163 HydrophobicContact CG-CG 3.61Å; W111-F190 HydrophobicContact CB-CD1 4.19Å; W111-F190 HydrophobicContact CB-CE1 3.93Å; W111-F190 AromaticContact CD2-CD1 3.37Å; W111-F190 HydrophobicContact CD2-CD1 3.37Å; W111-F190 AromaticContact CD2-CE1 3.83Å; W111-F190 HydrophobicContact CD2-CE1 3.83Å; W111-F190 HydrophobicContact CD2-CG 4.46Å; W111-F190 AromaticContact CE2-CD1 3.8Å; W111-F190 AromaticContact CE3-CD1 3.38Å; W111-F190 HydrophobicContact CE3-CD1 3.38Å; W111-F190 AromaticContact CE3-CE1 3.62Å; W111-F190 HydrophobicContact CE3-CE1 3.62Å; W111-F190 AromaticContact CG-CD1 3.78Å; W111-F190 HydrophobicContact CG-CD1 3.78Å; W111-F190 HydrophobicContact CG-CE1 4.02Å; W111-F190 HydrophobicContact CH2-CD1 4.13Å; W111-F190 HydrophobicContact CZ2-CB 4.34Å; W111-F190 HydrophobicContact CZ2-CD1 4.16Å; W111-F190 WeakPolarHBondContact CZ2-O 3.21Å; W111-F190 AromaticContact CZ3-CD1 3.77Å; W111-F190 HydrophobicContact CZ3-CD1 3.77Å; W111-F190 HydrophobicContact CZ3-CE1 4.25Å
112	C	78.2	Confident	71.9	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.014	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	128	178.6	-176.8	0	0	0	0	110.3	A105 V106 P114 C157	A105-C112 VanDerWaalsContact CA-O 3.32Å; A105-C112 WeakPolarHBondContact CA-O 3.23Å; V106-C112 PolarHBondContact N-O 3.14Å; V106-C112 PolarHBondContact O-N 3Å; C112-P114 WeakPolarHBondContact O-CD 3.38Å; C112-C157 WeakPolarHBondContact CA-SG 3.38Å; C112-C157 WeakPolarHBondContact CB-SG 3.46Å; C112-C157 WeakPolarHBondContact SG-CB 3.42Å; C112-C157 CovalentContact SG-SG 2.03Å; C112-C157 PolarHBondContact SG-SG 3.07Å
113	I	84.6	Confident	72.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	103.8	160.8	-58.3	-178.1	0	0	0	107.1	L102 A105 W127 L158 L160 Y171 I186 A188 F190	L102-I113 HydrophobicContact CD2-CG2 4.47Å; A105-I113 HydrophobicContact CB-CG1 4.04Å; I113-W127 HydrophobicContact CG2-CH2 4.04Å; I113-W127 HydrophobicContact CG2-CZ3 4.42Å; I113-L158 HydrophobicContact CB-CB 4.26Å; I113-L158 HydrophobicContact CD1-CD2 4.39Å; I113-L158 PolarHBondContact N-O 3.18Å; I113-L158 PolarHBondContact O-N 3.41Å; I113-L160 HydrophobicContact CD1-CD1 4.27Å; I113-L160 HydrophobicContact CG1-CD1 4.13Å; I113-Y171 HydrophobicContact CD1-CD1 3.74Å; I113-Y171 HydrophobicContact CD1-CD2 3.5Å; I113-Y171 VanDerWaalsContact CD1-CD2 3.5Å; I113-Y171 HydrophobicContact CD1-CE1 4.17Å; I113-Y171 HydrophobicContact CD1-CE2 3.96Å; I113-Y171 HydrophobicContact CD1-CG 3.38Å; I113-I186 HydrophobicContact CG2-CG2 3.68Å; I113-A188 HydrophobicContact CD1-CB 4Å; I113-F190 HydrophobicContact CD1-CZ 4.28Å
114	P	77.8	Confident	73.6	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	142.9	-173.8	-4	21.5	0	0	0	111.3	H103 T104 C112 W326	H103-P114 HydrophobicContact CB-CB 4.28Å; H103-P114 HydrophobicContact CB-CG 4.11Å; H103-P114 PolarHBondContact N-O 3.04Å; T104-P114 WeakPolarHBondContact O-CD 3.27Å; C112-P114 WeakPolarHBondContact O-CD 3.38Å; P114-W326 HydrophobicContact CB-CD2 4.49Å; P114-W326 HydrophobicContact CB-CE3 3.47Å; P114-W326 VanDerWaalsContact CB-CE3 3.47Å; P114-W326 HydrophobicContact CB-CZ3 3.71Å; P114-W326 HydrophobicContact CG-CD2 4.24Å; P114-W326 HydrophobicContact CG-CE3 3.38Å; P114-W326 HydrophobicContact CG-CH2 4.04Å; P114-W326 HydrophobicContact CG-CZ3 3.27Å
115	F	84.8	Confident	74.9	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.009	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	152.3	177.4	69.9	-95.3	0	0	0	113	Q101 L102 V117 L125 W127 T142 F144 H155 G156 C157 L173	Q101-F115 VanDerWaalsContact O-CA 3.29Å; Q101-F115 WeakPolarHBondContact O-CA 3.46Å; L102-F115 HydrophobicContact CD2-CB 3.49Å; L102-F115 VanDerWaalsContact CD2-CB 3.49Å; F115-V117 HydrophobicContact CD2-CG2 3.89Å; F115-V117 HydrophobicContact CE2-CG2 4.34Å; F115-L125 HydrophobicContact CE2-CD1 3.78Å; F115-L125 HydrophobicContact CZ-CD1 4.05Å; F115-W127 HydrophobicContact CD1-CH2 4.37Å; F115-W127 AromaticContact CD1-CZ2 3.68Å; F115-W127 HydrophobicContact CD1-CZ2 3.68Å; F115-W127 HydrophobicContact CE1-CZ2 4.08Å; F115-W127 HydrophobicContact CG-CZ2 4.39Å; F115-T142 HydrophobicContact CE1-CG2 3.77Å; F115-T142 HydrophobicContact CZ-CG2 3.56Å; F115-F144 HydrophobicContact CE2-CD1 4.28Å; F115-F144 AromaticContact CE2-CE1 3.91Å; F115-F144 HydrophobicContact CE2-CE1 3.91Å; F115-F144 HydrophobicContact CZ-CD1 4.14Å; F115-F144 AromaticContact CZ-CE1 3.86Å; F115-F144 HydrophobicContact CZ-CE1 3.86Å; F115-F144 HydrophobicContact CZ-CZ 4.45Å; F115-H155 WeakPolarHBondContact O-CA 3.22Å; F115-G156 VanDerWaalsContact CD1-C 3.46Å; F115-G156 WeakPolarHBondContact CD1-O 3.4Å; F115-G156 PolarHBondContact N-O 3.09Å; F115-G156 PolarHBondContact O-N 3.19Å; F115-C157 VanDerWaalsContact CE1-N 3.33Å; F115-L173 HydrophobicContact CB-CD2 3.62Å; F115-L173 HydrophobicContact CD1-CD2 4.13Å; F115-L173 HydrophobicContact CD2-CD2 3.64Å; F115-L173 HydrophobicContact CE2-CD2 4.3Å; F115-L173 HydrophobicContact CG-CD2 3.54Å
116	S	82.4	Confident	76.2	Confident	16 Å²	16	45.3 Å²	45.3	11%	0.112	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.5	168.2	-55.5	0	0	0	0	108.3	V100 Q101 H155	V100-S116 CarbonylContact C-O 3.55Å; V100-S116 WeakPolarHBondContact CA-O 3.21Å; Q101-S116 PolarHBondContact N-O 2.91Å; Q101-S116 PolarHBondContact O-N 3.18Å; S116-H155 PolarHBondContact OG-CE1 3.37Å; S116-H155 PolarHBondContact OG-ND1 3.43Å
117	V	86.6	Confident	78.3	Confident	2 Å²	2	44 Å²	44	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	132.7	177.7	172.2	0	0	0	0	109.8	S99 V100 F115 P123 L125 R154 L173 A175	S99-V117 WeakPolarHBondContact O-CA 3.44Å; S99-V117 WeakPolarHBondContact O-CG1 3.37Å; V100-V117 HydrophobicContact CB-CG2 3.99Å; V100-V117 HydrophobicContact CG2-CG2 3.64Å; F115-V117 HydrophobicContact CD2-CG2 3.89Å; F115-V117 HydrophobicContact CE2-CG2 4.34Å; V117-P123 HydrophobicContact CG1-CB 4.36Å; V117-P123 HydrophobicContact CG1-CG 3.34Å; V117-L125 HydrophobicContact CB-CD2 4.36Å; V117-L125 HydrophobicContact CG1-CD2 3.98Å; V117-L125 HydrophobicContact CG2-CD1 4.46Å; V117-L125 HydrophobicContact CG2-CD2 3.84Å; V117-R154 PolarHBondContact N-O 3.27Å; V117-R154 PolarHBondContact O-N 2.82Å; V117-L173 HydrophobicContact CG2-CD2 3.96Å; V117-A175 HydrophobicContact CG1-CB 3.81Å; V117-A175 HydrophobicContact CG2-CB 4.23Å
118	D	85.7	Confident	80.4	Confident	23 Å²	23	40.2 Å²	40.2	12%	0.123	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	164.9	171.2	-161.8	10.3	0	0	0	111	F96 A98 S99 T152 V153	F96-D118 HydrophobicContact CE2-CB 4.33Å; F96-D118 WeakPolarHBondContact CE2-OD2 3.29Å; F96-D118 WeakPolarHBondContact CZ-OD1 3.29Å; F96-D118 WeakPolarHBondContact CZ-OD2 3.12Å; A98-D118 CarbonylContact C-O 3.58Å; A98-D118 WeakPolarHBondContact CA-O 3.31Å; S99-D118 PolarHBondContact N-O 3.18Å; S99-D118 PolarHBondContact O-N 3.08Å; D118-T152 VanDerWaalsContact OD1-C 3.22Å; D118-T152 WeakPolarHBondContact OD1-CB 3.4Å; D118-T152 PolarHBondContact OD1-OG1 2.7Å; D118-T152 PolarHBondContact OD2-OG1 2.97Å; D118-V153 HydrophobicContact CB-CB 4.48Å; D118-V153 HydrophobicContact CB-CG2 4.05Å; D118-V153 PolarHBondContact OD1-N 3.11Å
119	G	83.8	Confident	82.5	Confident	4 Å²	4	39.3 Å²	39.3	4%	0.041	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.4	140.9	178.6	0	0	0	0	0	112.4	F96 P121 A122 P123	F96-G119 VanDerWaalsContact CE2-CA 3.44Å; G119-P121 CarbonylContact C-O 3.56Å; G119-P121 CarbonylContact O-C 3.4Å; G119-A122 WeakPolarHBondContact O-CA 3.44Å; G119-A122 PolarHBondContact O-N 2.96Å; G119-P123 WeakPolarHBondContact O-CD 3.45Å
120	Q	83.1	Confident	84.7	Confident	37 Å²	37	37.4 Å²	37.4	17%	0.173	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	120.6	177	177.4	67	-15.6	0	0	110.5	N71 N93 V94 S95 F96	N71-Q120 WeakPolarHBondContact ND2-CB 3.46Å; N71-Q120 WeakPolarHBondContact ND2-CG 3.35Å; N93-Q120 PolarHBondContact OD1-NE2 3.31Å; V94-Q120 WeakPolarHBondContact O-CB 3.48Å; V94-Q120 VanDerWaalsContact O-CG 3.23Å; V94-Q120 WeakPolarHBondContact O-CG 3.49Å; S95-Q120 CarbonylContact C-O 3.52Å; S95-Q120 VanDerWaalsContact CA-O 3.27Å; S95-Q120 WeakPolarHBondContact CA-O 3.42Å; F96-Q120 HydrophobicContact CD1-CB 3.95Å; F96-Q120 HydrophobicContact CE1-CB 3.78Å; F96-Q120 HydrophobicContact CZ-CB 4.35Å; F96-Q120 PolarHBondContact N-O 2.84Å; F96-Q120 PolarHBondContact O-N 2.84Å; F96-Q120 VanDerWaalsContact O-O 3.11Å
121	P	83.8	Confident	86.2	Confident	54 Å²	54	37.1 Å²	37.1	35%	0.351	21%	0.214	S	C	.	.	S	Bend	cis	-56.8	155.1	-4.6	-26.5	35.6	0	0	0	114.2	G119 P123 N177 F179	G119-P121 CarbonylContact C-O 3.56Å; G119-P121 CarbonylContact O-C 3.4Å; P121-P123 WeakPolarHBondContact O-CD 3.1Å; P121-N177 WeakPolarHBondContact O-CB 3.37Å; P121-N177 PolarHBondContact O-ND2 2.75Å; P121-F179 VanDerWaalsContact CD-CE2 3.4Å; P121-F179 HydrophobicContact CG-CE2 4.31Å
122	A	83.1	Confident	87.3	Confident	60 Å²	60	39 Å²	39	50%	0.496	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-46.6	116.7	178.2	0	0	0	0	0	111.5	G119	G119-A122 WeakPolarHBondContact O-CA 3.44Å; G119-A122 PolarHBondContact O-N 2.96Å
123	P	88.3	Confident	88	Confident	7 Å²	7	42.9 Å²	42.9	5%	0.045	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-66.5	151.6	-177.7	23.4	-34.7	0	0	0	113.1	A98 V117 G119 P121 R154 A175 A176 N177	A98-P123 HydrophobicContact CB-CB 3.84Å; A98-P123 HydrophobicContact CB-CG 4.25Å; V117-P123 HydrophobicContact CG1-CB 4.36Å; V117-P123 HydrophobicContact CG1-CG 3.34Å; G119-P123 WeakPolarHBondContact O-CD 3.45Å; P121-P123 WeakPolarHBondContact O-CD 3.1Å; P123-R154 PolarHBondContact O-NH2 3.06Å; P123-A175 HydrophobicContact CB-CB 4.3Å; P123-A176 CarbonylContact C-O 3.55Å; P123-A176 VanDerWaalsContact CA-O 3.22Å; P123-A176 WeakPolarHBondContact CA-O 3.42Å; P123-A176 WeakPolarHBondContact CB-O 3.44Å; P123-N177 HydrophobicContact CB-CB 4.22Å
124	S	90.4	Very high	88.3	Confident	84 Å²	84	44.1 Å²	44.1	59%	0.587	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	145.6	164.7	63.9	0	0	0	0	110	A175 A176	S124-A175 WeakPolarHBondContact O-CA 3.37Å; S124-A176 PolarHBondContact N-O 2.89Å; S124-A176 PolarHBondContact O-N 3.3Å; S124-A176 PolarHBondContact OG-O 3.06Å
125	L	92.9	Very high	88.8	Confident	49 Å²	49	50 Å²	50	26%	0.257	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	148.6	-177.1	-60.3	-166.2	0	0	0	111.7	F115 V117 F144 L173 L174 A175	F115-L125 HydrophobicContact CE2-CD1 3.78Å; F115-L125 HydrophobicContact CZ-CD1 4.05Å; V117-L125 HydrophobicContact CB-CD2 4.36Å; V117-L125 HydrophobicContact CG1-CD2 3.98Å; V117-L125 HydrophobicContact CG2-CD1 4.46Å; V117-L125 HydrophobicContact CG2-CD2 3.84Å; L125-F144 HydrophobicContact CD1-CE1 3.73Å; L125-F144 HydrophobicContact CD1-CZ 3.67Å; L125-L173 HydrophobicContact CB-CD1 4.1Å; L125-L173 HydrophobicContact CD1-CD1 4.32Å; L125-L173 HydrophobicContact CD2-CD1 4.36Å; L125-L173 HydrophobicContact CG-CD1 4.49Å; L125-L174 CarbonylContact C-O 3.58Å; L125-L174 WeakPolarHBondContact CA-O 3.3Å; L125-A175 HydrophobicContact CD2-CB 3.74Å
126	R	93.3	Very high	89	Confident	158 Å²	158	54.5 Å²	54.5	60%	0.596	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.4	130.5	168.5	-175.9	175.7	-64.7	171.7	0.2	110.5	L174	R126-L174 HydrophobicContact CB-CB 4.47Å; R126-L174 PolarHBondContact N-O 3.37Å; R126-L174 PolarHBondContact O-N 2.88Å
127	W	95.1	Very high	89.2	Confident	5 Å²	5	57.2 Å²	57.2	2%	0.019	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	143.9	172.5	-73.8	104.2	0	0	0	112.2	L102 I113 F115 L134 T142 L158 T172 L173	L102-W127 HydrophobicContact CD1-CH2 4.46Å; L102-W127 HydrophobicContact CD1-CZ3 4.16Å; L102-W127 HydrophobicContact CD2-CH2 3.63Å; L102-W127 HydrophobicContact CD2-CZ3 4.14Å; I113-W127 HydrophobicContact CG2-CH2 4.04Å; I113-W127 HydrophobicContact CG2-CZ3 4.42Å; F115-W127 HydrophobicContact CD1-CH2 4.37Å; F115-W127 AromaticContact CD1-CZ2 3.68Å; F115-W127 HydrophobicContact CD1-CZ2 3.68Å; F115-W127 HydrophobicContact CE1-CZ2 4.08Å; F115-W127 HydrophobicContact CG-CZ2 4.39Å; W127-L134 HydrophobicContact CB-CB 3.84Å; W127-L134 HydrophobicContact CB-CD2 3.94Å; W127-L134 HydrophobicContact CB-CG 4.36Å; W127-L134 HydrophobicContact CG-CD2 4.46Å; W127-L134 PolarHBondContact O-N 3.46Å; W127-T142 PolarHBondContact NE1-OG1 3.21Å; W127-L158 HydrophobicContact CD2-CD2 3.81Å; W127-L158 HydrophobicContact CE3-CD2 3.9Å; W127-L158 HydrophobicContact CG-CD2 4.33Å; W127-L158 HydrophobicContact CH2-CB 3.97Å; W127-L158 HydrophobicContact CH2-CD2 4.17Å; W127-L158 HydrophobicContact CZ2-CB 3.47Å; W127-L158 VanDerWaalsContact CZ2-CB 3.47Å; W127-L158 HydrophobicContact CZ2-CD2 4.12Å; W127-L158 HydrophobicContact CZ2-CG 4.32Å; W127-L158 HydrophobicContact CZ3-CD2 4.07Å; W127-T172 CarbonylContact C-O 3.57Å; W127-T172 WeakPolarHBondContact CA-O 3.48Å; W127-L173 HydrophobicContact CD2-CB 4.25Å; W127-L173 HydrophobicContact CD2-CD1 3.98Å; W127-L173 HydrophobicContact CE3-CB 3.91Å; W127-L173 HydrophobicContact CE3-CD1 4.5Å; W127-L173 HydrophobicContact CG-CD1 4.31Å; W127-L173 HydrophobicContact CH2-CB 3.86Å; W127-L173 HydrophobicContact CH2-CD2 4.21Å; W127-L173 HydrophobicContact CH2-CG 4.48Å; W127-L173 HydrophobicContact CZ2-CB 4.15Å; W127-L173 HydrophobicContact CZ2-CD1 4.16Å; W127-L173 HydrophobicContact CZ2-CD2 3.92Å; W127-L173 HydrophobicContact CZ2-CG 4.3Å; W127-L173 HydrophobicContact CZ3-CB 3.72Å
128	L	94.6	Very high	89.1	Confident	33 Å²	33	61.6 Å²	61.6	17%	0.173	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	144.9	164.3	-49.3	177.3	0	0	0	109.6	S132 V133 Y171 T172 L174	L128-S132 CarbonylContact C-O 3.11Å; L128-S132 WeakPolarHBondContact CA-O 3.32Å; L128-S132 WeakPolarHBondContact CB-O 3.47Å; L128-V133 HydrophobicContact CD2-CB 4.46Å; L128-V133 HydrophobicContact CD2-CG2 3.96Å; L128-Y171 WeakPolarHBondContact O-CA 3.31Å; L128-T172 PolarHBondContact N-O 2.93Å; L128-T172 PolarHBondContact O-N 3.12Å; L128-L174 HydrophobicContact CD1-CD1 4.09Å; L128-L174 HydrophobicContact CD1-CG 4.44Å; L128-L174 HydrophobicContact CG-CD1 4.27Å
129	F	93.4	Very high	88.9	Confident	44 Å²	44	66.3 Å²	66.3	19%	0.193	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	122.9	170.5	174	-108.5	0	0	0	108.4	G131 S132 L134 N167 Y171	F129-G131 PolarHBondContact O-N 2.87Å; F129-G131 VanDerWaalsContact O-N 3.12Å; F129-S132 PolarHBondContact N-O 2.95Å; F129-S132 PolarHBondContact O-N 3.43Å; F129-L134 HydrophobicContact CB-CB 4.08Å; F129-L134 HydrophobicContact CB-CD1 4.02Å; F129-L134 HydrophobicContact CB-CG 4.45Å; F129-N167 VanDerWaalsContact CE2-O 3.31Å; F129-N167 WeakPolarHBondContact CE2-O 3.49Å; F129-Y171 HydrophobicContact CD2-CD1 4.15Å; F129-Y171 HydrophobicContact CD2-CD2 4.08Å; F129-Y171 AromaticContact CD2-CE1 3.69Å; F129-Y171 HydrophobicContact CD2-CE1 3.69Å; F129-Y171 AromaticContact CD2-CE2 3.61Å; F129-Y171 HydrophobicContact CD2-CE2 3.61Å; F129-Y171 HydrophobicContact CD2-CG 4.33Å; F129-Y171 AromaticContact CD2-CZ 3.39Å; F129-Y171 HydrophobicContact CE2-CD2 4.38Å; F129-Y171 HydrophobicContact CE2-CE1 4.36Å; F129-Y171 AromaticContact CE2-CE2 3.62Å; F129-Y171 HydrophobicContact CE2-CE2 3.62Å; F129-Y171 AromaticContact CE2-CZ 3.61Å; F129-Y171 HydrophobicContact CG-CE1 4.45Å
130	N	91.3	Very high	89.1	Confident	95 Å²	95	67.4 Å²	67.4	51%	0.508	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	38.8	-173.9	-66.8	-20.3	0	0	0	113	S132 G169 N170	N130-S132 PolarHBondContact O-N 2.67Å; N130-G169 VanDerWaalsContact OD1-CA 3.26Å; N130-G169 WeakPolarHBondContact OD1-CA 3.42Å; N130-N170 PolarHBondContact N-O 2.88Å; N130-N170 PolarHBondContact OD1-N 2.88Å
131	G	88.1	Confident	89.4	Confident	58 Å²	58	69.1 Å²	69.1	60%	0.598	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-13.6	-178.5	0	0	0	0	0	115.9	F129	F129-G131 PolarHBondContact O-N 2.87Å; F129-G131 VanDerWaalsContact O-N 3.12Å
132	S	91.5	Very high	89.7	Confident	86 Å²	86	67.6 Å²	67.6	60%	0.601	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	154.5	175.4	-65.6	0	0	0	0	111.5	L128 F129 N130 L134	L128-S132 CarbonylContact C-O 3.11Å; L128-S132 WeakPolarHBondContact CA-O 3.32Å; L128-S132 WeakPolarHBondContact CB-O 3.47Å; F129-S132 PolarHBondContact N-O 2.95Å; F129-S132 PolarHBondContact O-N 3.43Å; N130-S132 PolarHBondContact O-N 2.67Å; S132-L134 PolarHBondContact O-N 3.48Å
133	V	92.8	Very high	89.7	Confident	83 Å²	83	68.5 Å²	68.5	50%	0.503	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	123.4	178.8	179.3	0	0	0	0	110.3	L128 N135	L128-V133 HydrophobicContact CD2-CB 4.46Å; L128-V133 HydrophobicContact CD2-CG2 3.96Å; V133-N135 PolarHBondContact O-N 3.29Å
134	L	91.8	Very high	89.5	Confident	25 Å²	25	72.8 Å²	72.8	13%	0.131	40%	0.396	C	S	.	.			trans	-81.8	112.7	174.6	179.6	63.8	0	0	0	108.8	W127 F129 S132 I140 L158 Y171	W127-L134 HydrophobicContact CB-CB 3.84Å; W127-L134 HydrophobicContact CB-CD2 3.94Å; W127-L134 HydrophobicContact CB-CG 4.36Å; W127-L134 HydrophobicContact CG-CD2 4.46Å; W127-L134 PolarHBondContact O-N 3.46Å; F129-L134 HydrophobicContact CB-CB 4.08Å; F129-L134 HydrophobicContact CB-CD1 4.02Å; F129-L134 HydrophobicContact CB-CG 4.45Å; S132-L134 PolarHBondContact O-N 3.48Å; L134-I140 HydrophobicContact CD1-CG2 4.38Å; L134-I140 HydrophobicContact CD2-CG2 4.03Å; L134-I140 HydrophobicContact CG-CG2 4.42Å; L134-L158 HydrophobicContact CD2-CD1 4.36Å; L134-L158 HydrophobicContact CD2-CD2 3.73Å; L134-Y171 HydrophobicContact CD2-CD1 3.99Å; L134-Y171 HydrophobicContact CD2-CE1 3.79Å
135	N	88.6	Confident	88.7	Confident	125 Å²	125	70.4 Å²	70.4	67%	0.668	38%	0.377	S	S	*	.			trans	-81.3	125	174.7	-67.6	-33.7	0	0	0	109.8	V133	V133-N135 PolarHBondContact O-N 3.29Å
136	E	88.3	Confident	87.3	Confident	97 Å²	97	76.8 Å²	76.8	45%	0.453	41%	0.405	S	S	.	.			trans	-73	146	175.9	-64.5	-171.3	-160.5	0	0	111.6	I140 F141 T142	E136-I140 CarbonylContact C-O 3.56Å; E136-I140 WeakPolarHBondContact CA-O 3.4Å; E136-I140 WeakPolarHBondContact CB-O 3.39Å; E136-F141 WeakPolarHBondContact OE2-CA 3.44Å; E136-T142 VanDerWaalsContact OE1-CB 3.29Å; E136-T142 WeakPolarHBondContact OE1-CB 3.4Å; E136-T142 PolarHBondContact OE1-OG1 2.88Å; E136-T142 PolarHBondContact OE2-N 2.95Å
137	T	87.4	Confident	85.6	Confident	73 Å²	73	72.7 Å²	72.7	45%	0.448	40%	0.399	S	S	.	.			trans	-142.3	176.8	-175.4	64.7	0	0	0	0	109.7	F139 I140	T137-F139 PolarHBondContact O-N 2.81Å; T137-F139 PolarHBondContact OG1-N 3.42Å; T137-I140 PolarHBondContact N-O 3.38Å; T137-I140 CarbonylContact O-C 3.46Å; T137-I140 PolarHBondContact O-N 2.83Å; T137-I140 VanDerWaalsContact O-O 3.09Å; T137-I140 PolarHBondContact OG1-N 2.91Å; T137-I140 VanDerWaalsContact OG1-N 3.11Å
138	S	83.8	Confident	83.7	Confident	94 Å²	94	73.8 Å²	73.8	66%	0.657	41%	0.409	S	S	*	.	S	Bend	trans	-61.6	-11.2	171.8	54.2	0	0	0	0	114.8
139	F	81.6	Confident	81.8	Confident	122 Å²	122	76.1 Å²	76.1	54%	0.535	43%	0.433	S	S	.	.	S	Bend	trans	-111.2	-23.7	-179.6	-57.5	-83.3	0	0	0	113.2	T137 L160 N161	T137-F139 PolarHBondContact O-N 2.81Å; T137-F139 PolarHBondContact OG1-N 3.42Å; F139-L160 CarbonylContact O-C 3.47Å; F139-L160 WeakPolarHBondContact O-CA 3.48Å; F139-N161 HydrophobicContact CB-CB 4.47Å; F139-N161 HydrophobicContact CD1-CB 4.32Å; F139-N161 PolarHBondContact O-N 2.9Å
140	I	88.8	Confident	80.2	Confident	26 Å²	26	77.6 Å²	77.6	13%	0.133	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	105	178	-59.9	177.6	0	0	0	108.1	L134 E136 T137 L158 R159 L160	L134-I140 HydrophobicContact CD1-CG2 4.38Å; L134-I140 HydrophobicContact CD2-CG2 4.03Å; L134-I140 HydrophobicContact CG-CG2 4.42Å; E136-I140 CarbonylContact C-O 3.56Å; E136-I140 WeakPolarHBondContact CA-O 3.4Å; E136-I140 WeakPolarHBondContact CB-O 3.39Å; T137-I140 PolarHBondContact N-O 3.38Å; T137-I140 CarbonylContact O-C 3.46Å; T137-I140 PolarHBondContact O-N 2.83Å; T137-I140 VanDerWaalsContact O-O 3.09Å; T137-I140 PolarHBondContact OG1-N 2.91Å; T137-I140 VanDerWaalsContact OG1-N 3.11Å; I140-L158 HydrophobicContact CG2-CD1 3.82Å; I140-L158 HydrophobicContact CG2-CG 4.41Å; I140-R159 VanDerWaalsContact CA-O 3.27Å; I140-R159 WeakPolarHBondContact CA-O 3.4Å; I140-L160 HydrophobicContact CD1-CD2 4.13Å; I140-L160 HydrophobicContact CG1-CD2 4.2Å; I140-L160 HydrophobicContact CG1-CG 4.24Å; I140-L160 HydrophobicContact CG2-CG 4.39Å
141	F	89.5	Confident	79	Confident	73 Å²	73	75.8 Å²	75.8	32%	0.32	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	154.4	-174.1	62.1	-89.2	0	0	0	113.1	E136 E143 R159	E136-F141 WeakPolarHBondContact OE2-CA 3.44Å; F141-E143 HydrophobicContact CD2-CB 4.5Å; F141-E143 HydrophobicContact CE2-CB 4.23Å; F141-R159 HydrophobicContact CD1-CB 4.32Å; F141-R159 HydrophobicContact CD2-CB 4.33Å; F141-R159 HydrophobicContact CD2-CG 4.49Å; F141-R159 HydrophobicContact CE1-CB 4.01Å; F141-R159 HydrophobicContact CE2-CB 4.02Å; F141-R159 HydrophobicContact CE2-CG 3.9Å; F141-R159 HydrophobicContact CG-CB 4.48Å; F141-R159 HydrophobicContact CZ-CB 3.85Å; F141-R159 HydrophobicContact CZ-CG 3.97Å; F141-R159 PolarHBondContact N-O 2.76Å; F141-R159 VanDerWaalsContact N-O 3.12Å; F141-R159 PolarHBondContact O-N 3.22Å
142	T	89	Confident	78.2	Confident	23 Å²	23	74.2 Å²	74.2	14%	0.141	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	117.9	175.6	-65.9	0	0	0	0	110.8	F115 W127 E136 F144	F115-T142 HydrophobicContact CE1-CG2 3.77Å; F115-T142 HydrophobicContact CZ-CG2 3.56Å; W127-T142 PolarHBondContact NE1-OG1 3.21Å; E136-T142 VanDerWaalsContact OE1-CB 3.29Å; E136-T142 WeakPolarHBondContact OE1-CB 3.4Å; E136-T142 PolarHBondContact OE1-OG1 2.88Å; E136-T142 PolarHBondContact OE2-N 2.95Å; T142-F144 HydrophobicContact CG2-CD2 4.23Å; T142-F144 HydrophobicContact CG2-CE1 4.4Å; T142-F144 HydrophobicContact CG2-CE2 3.76Å; T142-F144 HydrophobicContact CG2-CZ 3.86Å
143	E	83.9	Confident	77.5	Confident	78 Å²	78	72.2 Å²	72.2	36%	0.364	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	133.1	171.1	-174.8	175.8	-140	0	0	109.7	F141 G156 C157 R159	F141-E143 HydrophobicContact CD2-CB 4.5Å; F141-E143 HydrophobicContact CE2-CB 4.23Å; E143-G156 CarbonylContact O-C 3.58Å; E143-G156 WeakPolarHBondContact O-CA 3.43Å; E143-C157 PolarHBondContact N-O 2.95Å; E143-C157 PolarHBondContact O-N 2.84Å; E143-R159 HydrophobicContact CB-CG 4.21Å; E143-R159 IonicContact OE2-CZ 2.64Å; E143-R159 IonicContact OE2-NE 3.93Å; E143-R159 PolarHBondContact OE2-NE 3.32Å; E143-R159 IonicContact OE2-NH2 2.7Å; E143-R159 PolarHBondContact OE2-NH2 2.87Å
144	F	82.6	Confident	76.9	Confident	98 Å²	98	71.4 Å²	71.4	43%	0.43	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	142.4	175.2	-68.3	-83	0	0	0	110.7	F115 L125 T142	F115-F144 HydrophobicContact CE2-CD1 4.28Å; F115-F144 AromaticContact CE2-CE1 3.91Å; F115-F144 HydrophobicContact CE2-CE1 3.91Å; F115-F144 HydrophobicContact CZ-CD1 4.14Å; F115-F144 AromaticContact CZ-CE1 3.86Å; F115-F144 HydrophobicContact CZ-CE1 3.86Å; F115-F144 HydrophobicContact CZ-CZ 4.45Å; L125-F144 HydrophobicContact CD1-CE1 3.73Å; L125-F144 HydrophobicContact CD1-CZ 3.67Å; T142-F144 HydrophobicContact CG2-CD2 4.23Å; T142-F144 HydrophobicContact CG2-CE1 4.4Å; T142-F144 HydrophobicContact CG2-CE2 3.76Å; T142-F144 HydrophobicContact CG2-CZ 3.86Å
145	L	74.3	Confident	76.4	Confident	34 Å²	34	71.7 Å²	71.7	18%	0.178	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-79.2	146.1	166.9	-60.8	-178	0	0	0	110	P147 H155 F337	L145-P147 WeakPolarHBondContact O-CD 3.13Å; L145-H155 HydrophobicContact CB-CB 4.39Å; L145-H155 HydrophobicContact CD1-CB 3.91Å; L145-H155 HydrophobicContact CG-CB 4.41Å; L145-H155 PolarHBondContact N-O 2.87Å; L145-F337 HydrophobicContact CD1-CD1 4.37Å; L145-F337 HydrophobicContact CD1-CE1 4.18Å; L145-F337 HydrophobicContact CD2-CE1 4.08Å
146	E	63.6	Low	76.2	Confident	182 Å²	182	65.8 Å²	65.8	85%	0.85	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-62.4	119.9	176.8	-69.4	-172.1	144	0	0	110.5
147	P	58.2	Low	76	Confident	73 Å²	73	61.5 Å²	61.5	47%	0.474	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-76	141	-179.5	30.4	-33.8	0	0	0	111	L145	L145-P147 WeakPolarHBondContact O-CD 3.13Å
148	A	55.5	Low	76.1	Confident	28 Å²	28	58 Å²	58	23%	0.231	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-64.7	146.4	169.8	0	0	0	0	0	110.6	N150 E151	A148-N150 PolarHBondContact O-N 3.35Å; A148-E151 HydrophobicContact CB-CB 4.22Å; A148-E151 HydrophobicContact CB-CG 4.02Å; A148-E151 PolarHBondContact O-N 2.84Å
149	A	54.5	Low	76.2	Confident	82 Å²	82	55.7 Å²	55.7	68%	0.678	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-22.7	-174.1	0	0	0	0	0	114.8
150	N	60	Low	76.4	Confident	74 Å²	74	49.9 Å²	49.9	40%	0.396	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	3.6	-178.6	-62.2	-6.2	0	0	0	113.4	A148	A148-N150 PolarHBondContact O-N 3.35Å
151	E	65	Low	76.1	Confident	57 Å²	57	50.9 Å²	50.9	27%	0.266	27%	0.268	S	S	.	.			trans	-103.6	150.8	179.7	-71.9	168.7	-163.2	0	0	110.6	R72 A148 R319	R72-E151 WeakPolarHBondContact CD-O 3.28Å; R72-E151 PolarHBondContact NH1-O 3.02Å; A148-E151 HydrophobicContact CB-CB 4.22Å; A148-E151 HydrophobicContact CB-CG 4.02Å; A148-E151 PolarHBondContact O-N 2.84Å; E151-R319 IonicContact OE1-CZ 3.19Å; E151-R319 IonicContact OE1-NE 2.7Å; E151-R319 IonicContact OE1-NH2 2.8Å; E151-R319 PolarHBondContact OE1-NH2 3.27Å; E151-R319 IonicContact OE2-NH2 2.71Å
152	T	70.9	Confident	75.2	Confident	26 Å²	26	53.7 Å²	53.7	16%	0.16	28%	0.282	C	S	.	.			trans	-107.3	-34.1	177.9	54.9	0	0	0	0	112.1	N71 R72 D118 R154	N71-T152 HydrophobicContact CB-CG2 3.97Å; N71-T152 WeakPolarHBondContact ND2-CG2 3.4Å; R72-T152 HydrophobicContact CG-CG2 4.03Å; D118-T152 VanDerWaalsContact OD1-C 3.22Å; D118-T152 WeakPolarHBondContact OD1-CB 3.4Å; D118-T152 PolarHBondContact OD1-OG1 2.7Å; D118-T152 PolarHBondContact OD2-OG1 2.97Å; T152-R154 PolarHBondContact O-N 3.27Å
153	V	77.3	Confident	74.8	Confident	44 Å²	44	53 Å²	53	27%	0.267	28%	0.278	S	S	.	.			trans	-56.6	130.6	172.9	-168.4	0	0	0	0	109.5	D118	D118-V153 HydrophobicContact CB-CB 4.48Å; D118-V153 HydrophobicContact CB-CG2 4.05Å; D118-V153 PolarHBondContact OD1-N 3.11Å
154	R	80.2	Confident	74.6	Confident	65 Å²	65	51.6 Å²	51.6	25%	0.245	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	116.2	170.6	-72.5	-179.7	-70.8	157.6	5	108.4	V117 P123 T152	V117-R154 PolarHBondContact N-O 3.27Å; V117-R154 PolarHBondContact O-N 2.82Å; P123-R154 PolarHBondContact O-NH2 3.06Å; T152-R154 PolarHBondContact O-N 3.27Å
155	H	80.7	Confident	74.4	Confident	31 Å²	31	48.7 Å²	48.7	14%	0.144	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	149	173	-58.3	-75.5	0	0	0	109.8	F115 S116 L145	F115-H155 WeakPolarHBondContact O-CA 3.22Å; S116-H155 PolarHBondContact OG-CE1 3.37Å; S116-H155 PolarHBondContact OG-ND1 3.43Å; L145-H155 HydrophobicContact CB-CB 4.39Å; L145-H155 HydrophobicContact CD1-CB 3.91Å; L145-H155 HydrophobicContact CG-CB 4.41Å; L145-H155 PolarHBondContact N-O 2.87Å
156	G	85.1	Confident	74.8	Confident	2 Å²	2	51.1 Å²	51.1	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	179.8	179	0	0	0	0	0	113.2	F115 E143	F115-G156 VanDerWaalsContact CD1-C 3.46Å; F115-G156 WeakPolarHBondContact CD1-O 3.4Å; F115-G156 PolarHBondContact N-O 3.09Å; F115-G156 PolarHBondContact O-N 3.19Å; E143-G156 CarbonylContact O-C 3.58Å; E143-G156 WeakPolarHBondContact O-CA 3.43Å
157	C	83.9	Confident	76	Confident	6 Å²	6	44 Å²	44	4%	0.041	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	127.3	-177.6	177.6	0	0	0	0	109	C112 F115 E143 R159	C112-C157 WeakPolarHBondContact CA-SG 3.38Å; C112-C157 WeakPolarHBondContact CB-SG 3.46Å; C112-C157 WeakPolarHBondContact SG-CB 3.42Å; C112-C157 CovalentContact SG-SG 2.03Å; C112-C157 PolarHBondContact SG-SG 3.07Å; F115-C157 VanDerWaalsContact CE1-N 3.33Å; E143-C157 PolarHBondContact N-O 2.95Å; E143-C157 PolarHBondContact O-N 2.84Å; C157-R159 PolarHBondContact O-N 3.23Å; C157-R159 VanDerWaalsContact SG-CD 3.59Å
158	L	89.6	Confident	77.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	106.7	157.3	176.2	68.3	0	0	0	106.9	I113 W127 L134 I140 L160 Y171	I113-L158 HydrophobicContact CB-CB 4.26Å; I113-L158 HydrophobicContact CD1-CD2 4.39Å; I113-L158 PolarHBondContact N-O 3.18Å; I113-L158 PolarHBondContact O-N 3.41Å; W127-L158 HydrophobicContact CD2-CD2 3.81Å; W127-L158 HydrophobicContact CE3-CD2 3.9Å; W127-L158 HydrophobicContact CG-CD2 4.33Å; W127-L158 HydrophobicContact CH2-CB 3.97Å; W127-L158 HydrophobicContact CH2-CD2 4.17Å; W127-L158 HydrophobicContact CZ2-CB 3.47Å; W127-L158 VanDerWaalsContact CZ2-CB 3.47Å; W127-L158 HydrophobicContact CZ2-CD2 4.12Å; W127-L158 HydrophobicContact CZ2-CG 4.32Å; W127-L158 HydrophobicContact CZ3-CD2 4.07Å; L134-L158 HydrophobicContact CD2-CD1 4.36Å; L134-L158 HydrophobicContact CD2-CD2 3.73Å; I140-L158 HydrophobicContact CG2-CD1 3.82Å; I140-L158 HydrophobicContact CG2-CG 4.41Å; L158-L160 HydrophobicContact CG-CD1 4.31Å; L158-Y171 HydrophobicContact CD2-CD1 3.68Å; L158-Y171 HydrophobicContact CD2-CE1 3.95Å
159	R	85.8	Confident	78.8	Confident	45 Å²	45	41.4 Å²	41.4	17%	0.17	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	135.8	176.7	-69.6	-71.8	-170.8	179	4.1	109.3	W111 I140 F141 E143 C157	W111-R159 WeakPolarHBondContact O-CA 3.38Å; I140-R159 VanDerWaalsContact CA-O 3.27Å; I140-R159 WeakPolarHBondContact CA-O 3.4Å; F141-R159 HydrophobicContact CD1-CB 4.32Å; F141-R159 HydrophobicContact CD2-CB 4.33Å; F141-R159 HydrophobicContact CD2-CG 4.49Å; F141-R159 HydrophobicContact CE1-CB 4.01Å; F141-R159 HydrophobicContact CE2-CB 4.02Å; F141-R159 HydrophobicContact CE2-CG 3.9Å; F141-R159 HydrophobicContact CG-CB 4.48Å; F141-R159 HydrophobicContact CZ-CB 3.85Å; F141-R159 HydrophobicContact CZ-CG 3.97Å; F141-R159 PolarHBondContact N-O 2.76Å; F141-R159 VanDerWaalsContact N-O 3.12Å; F141-R159 PolarHBondContact O-N 3.22Å; E143-R159 HydrophobicContact CB-CG 4.21Å; E143-R159 IonicContact OE2-CZ 2.64Å; E143-R159 IonicContact OE2-NE 3.93Å; E143-R159 PolarHBondContact OE2-NE 3.32Å; E143-R159 IonicContact OE2-NH2 2.7Å; E143-R159 PolarHBondContact OE2-NH2 2.87Å; C157-R159 PolarHBondContact O-N 3.23Å; C157-R159 VanDerWaalsContact SG-CD 3.59Å
160	L	86.9	Confident	80.6	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	113.9	166.2	-58.2	94.2	0	0	0	108.5	H110 W111 I113 F139 I140 L158 Q162 P163 N167 Y171 F190	H110-L160 CarbonylContact C-O 3.6Å; W111-L160 HydrophobicContact CB-CB 4.36Å; W111-L160 PolarHBondContact N-O 2.82Å; W111-L160 PolarHBondContact O-N 2.95Å; I113-L160 HydrophobicContact CD1-CD1 4.27Å; I113-L160 HydrophobicContact CG1-CD1 4.13Å; F139-L160 CarbonylContact O-C 3.47Å; F139-L160 WeakPolarHBondContact O-CA 3.48Å; I140-L160 HydrophobicContact CD1-CD2 4.13Å; I140-L160 HydrophobicContact CG1-CD2 4.2Å; I140-L160 HydrophobicContact CG1-CG 4.24Å; I140-L160 HydrophobicContact CG2-CG 4.39Å; L158-L160 HydrophobicContact CG-CD1 4.31Å; L160-Q162 PolarHBondContact O-N 3.3Å; L160-P163 HydrophobicContact CB-CB 4.05Å; L160-P163 HydrophobicContact CB-CG 4.01Å; L160-P163 HydrophobicContact CD2-CB 4.24Å; L160-P163 WeakPolarHBondContact O-CD 3.49Å; L160-N167 HydrophobicContact CD2-CB 4.47Å; L160-Y171 HydrophobicContact CD2-CE1 4.33Å; L160-Y171 WeakPolarHBondContact CD2-OH 3.09Å; L160-F190 HydrophobicContact CD1-CZ 4.01Å; L160-F190 HydrophobicContact CD2-CE2 3.92Å; L160-F190 HydrophobicContact CD2-CZ 3.87Å
161	N	81	Confident	82.2	Confident	46 Å²	46	37 Å²	37	25%	0.246	19%	0.19	C	C	.	.	S	Bend	trans	-80.5	113.4	175.4	-173.4	3	0	0	0	109.4	H110 F139	H110-N161 PolarHBondContact CE1-OD1 3.24Å; H110-N161 PolarHBondContact NE2-OD1 3.01Å; F139-N161 HydrophobicContact CB-CB 4.47Å; F139-N161 HydrophobicContact CD1-CB 4.32Å; F139-N161 PolarHBondContact O-N 2.9Å
162	Q	72.3	Confident	83.6	Confident	132 Å²	132	35 Å²	35	62%	0.617	18%	0.182	S	C	*	.	S	Bend	trans	47.6	56.2	179.5	-64	179.8	-21.6	0	0	114.1	L160	L160-Q162 PolarHBondContact O-N 3.3Å
163	P	79.8	Confident	84.7	Confident	8 Å²	8	33.8 Å²	33.8	5%	0.052	18%	0.175	C	C	.	.			trans	-62	154.2	174.6	30.7	-36.6	0	0	0	111	W111 L160 N167 F190	W111-P163 HydrophobicContact CB-CG 3.86Å; W111-P163 VanDerWaalsContact CD1-CD 3.47Å; W111-P163 HydrophobicContact CD2-CG 4.44Å; W111-P163 HydrophobicContact CG-CG 3.61Å; L160-P163 HydrophobicContact CB-CB 4.05Å; L160-P163 HydrophobicContact CB-CG 4.01Å; L160-P163 HydrophobicContact CD2-CB 4.24Å; L160-P163 WeakPolarHBondContact O-CD 3.49Å; P163-N167 VanDerWaalsContact CA-OD1 3.31Å; P163-N167 WeakPolarHBondContact CA-OD1 3.45Å; P163-N167 HydrophobicContact CB-CB 3.85Å; P163-F190 HydrophobicContact CB-CB 4.13Å; P163-F190 HydrophobicContact CB-CD1 4.34Å; P163-F190 HydrophobicContact CB-CD2 3.82Å; P163-F190 HydrophobicContact CB-CE2 4.24Å; P163-F190 HydrophobicContact CB-CG 3.85Å; P163-F190 HydrophobicContact CG-CB 4Å; P163-F190 HydrophobicContact CG-CD1 3.85Å; P163-F190 HydrophobicContact CG-CD2 4.23Å; P163-F190 HydrophobicContact CG-CE1 4.32Å; P163-F190 HydrophobicContact CG-CG 3.78Å
164	T	79.7	Confident	85.5	Confident	49 Å²	49	33.5 Å²	33.5	30%	0.301	17%	0.172	S	C	.	.			trans	-122.2	-176.8	176.4	72.5	0	0	0	0	110.9	V166 N167 M191	T164-V166 PolarHBondContact O-N 3.35Å; T164-V166 VanDerWaalsContact O-N 3.08Å; T164-V166 WeakPolarHBondContact OG1-CG2 3.26Å; T164-N167 PolarHBondContact N-OD1 3.27Å; T164-N167 WeakPolarHBondContact O-CB 3.5Å; T164-N167 PolarHBondContact O-N 3.32Å; T164-M191 HydrophobicContact CG2-CE 3.64Å
165	H	78.6	Confident	86	Confident	37 Å²	37	30.4 Å²	30.4	17%	0.171	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-54.6	-27.8	178.4	61.3	-90.8	0	0	0	113.3	N167 N168 M191 N193 P194 F195	H165-N167 PolarHBondContact O-N 2.9Å; H165-N168 VanDerWaalsContact O-CB 3.23Å; H165-N168 WeakPolarHBondContact O-CB 3.44Å; H165-N168 PolarHBondContact O-N 3.35Å; H165-M191 WeakPolarHBondContact CB-O 3.49Å; H165-N193 HydrophobicContact CB-CB 4.45Å; H165-P194 VanDerWaalsContact ND1-CD 3.33Å; H165-P194 WeakPolarHBondContact ND1-CD 3.45Å; H165-F195 AromaticContact CE1-CE2 3.78Å; H165-F195 AromaticContact NE2-CE2 3.87Å
166	V	82.9	Confident	86.6	Confident	85 Å²	85	30.4 Å²	30.4	52%	0.515	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-67.4	-16.2	175.6	-45.8	0	0	0	0	113.4	T164	T164-V166 PolarHBondContact O-N 3.35Å; T164-V166 VanDerWaalsContact O-N 3.08Å; T164-V166 WeakPolarHBondContact OG1-CG2 3.26Å
167	N	87.6	Confident	86.8	Confident	32 Å²	32	31.3 Å²	31.3	17%	0.171	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-91.8	-3.7	174.4	-56	113.1	0	0	0	111.9	F129 L160 P163 T164 H165 G169 Y171 F190	F129-N167 VanDerWaalsContact CE2-O 3.31Å; F129-N167 WeakPolarHBondContact CE2-O 3.49Å; L160-N167 HydrophobicContact CD2-CB 4.47Å; P163-N167 VanDerWaalsContact CA-OD1 3.31Å; P163-N167 WeakPolarHBondContact CA-OD1 3.45Å; P163-N167 HydrophobicContact CB-CB 3.85Å; T164-N167 PolarHBondContact N-OD1 3.27Å; T164-N167 WeakPolarHBondContact O-CB 3.5Å; T164-N167 PolarHBondContact O-N 3.32Å; H165-N167 PolarHBondContact O-N 2.9Å; N167-G169 PolarHBondContact O-N 2.96Å; N167-Y171 WeakPolarHBondContact O-CE2 3.43Å; N167-Y171 PolarHBondContact O-OH 3.43Å; N167-F190 HydrophobicContact CB-CD2 3.6Å; N167-F190 HydrophobicContact CB-CE2 3.78Å; N167-F190 WeakPolarHBondContact O-CD2 3.35Å; N167-F190 WeakPolarHBondContact O-CE2 3.34Å
168	N	85.1	Confident	87.1	Confident	44 Å²	44	36.4 Å²	36.4	24%	0.235	20%	0.202	C	C	.	.			trans	-65.2	126.5	174.7	-62.6	-7.1	0	0	0	109.2	H165 A188 F190 M191	H165-N168 VanDerWaalsContact O-CB 3.23Å; H165-N168 WeakPolarHBondContact O-CB 3.44Å; H165-N168 PolarHBondContact O-N 3.35Å; N168-A188 WeakPolarHBondContact CA-O 3.25Å; N168-F190 PolarHBondContact OD1-N 3.01Å; N168-M191 PolarHBondContact ND2-O 3.06Å
169	G	88.7	Confident	86.8	Confident	3 Å²	3	42.2 Å²	42.2	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173	177.1	-176.3	0	0	0	0	0	114.3	N130 N167 Y171 M187 A188	N130-G169 VanDerWaalsContact OD1-CA 3.26Å; N130-G169 WeakPolarHBondContact OD1-CA 3.42Å; N167-G169 PolarHBondContact O-N 2.96Å; G169-Y171 WeakPolarHBondContact O-CD2 3.29Å; G169-M187 VanDerWaalsContact C-CE 3.46Å; G169-M187 VanDerWaalsContact C-SD 3.58Å; G169-M187 VanDerWaalsContact CA-CE 3.45Å; G169-A188 PolarHBondContact N-O 3.43Å; G169-A188 PolarHBondContact O-N 3.24Å
170	N	92	Very high	86.9	Confident	63 Å²	63	41.3 Å²	41.3	34%	0.337	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	110.7	176	-175.7	8	0	0	0	109.8	N130 I186 M187	N130-N170 PolarHBondContact N-O 2.88Å; N130-N170 PolarHBondContact OD1-N 2.88Å; N170-I186 PolarHBondContact OD1-O 2.72Å; N170-M187 HydrophobicContact CB-SD 4.31Å
171	Y	93.5	Very high	87	Confident	1 Å²	1	47.5 Å²	47.5	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.7	176	-73.1	-96.7	0	0	0	109.7	I113 L128 F129 L134 L158 L160 N167 G169 S185 I186 A188 F190	I113-Y171 HydrophobicContact CD1-CD1 3.74Å; I113-Y171 HydrophobicContact CD1-CD2 3.5Å; I113-Y171 VanDerWaalsContact CD1-CD2 3.5Å; I113-Y171 HydrophobicContact CD1-CE1 4.17Å; I113-Y171 HydrophobicContact CD1-CE2 3.96Å; I113-Y171 HydrophobicContact CD1-CG 3.38Å; L128-Y171 WeakPolarHBondContact O-CA 3.31Å; F129-Y171 HydrophobicContact CD2-CD1 4.15Å; F129-Y171 HydrophobicContact CD2-CD2 4.08Å; F129-Y171 AromaticContact CD2-CE1 3.69Å; F129-Y171 HydrophobicContact CD2-CE1 3.69Å; F129-Y171 AromaticContact CD2-CE2 3.61Å; F129-Y171 HydrophobicContact CD2-CE2 3.61Å; F129-Y171 HydrophobicContact CD2-CG 4.33Å; F129-Y171 AromaticContact CD2-CZ 3.39Å; F129-Y171 HydrophobicContact CE2-CD2 4.38Å; F129-Y171 HydrophobicContact CE2-CE1 4.36Å; F129-Y171 AromaticContact CE2-CE2 3.62Å; F129-Y171 HydrophobicContact CE2-CE2 3.62Å; F129-Y171 AromaticContact CE2-CZ 3.61Å; F129-Y171 HydrophobicContact CG-CE1 4.45Å; L134-Y171 HydrophobicContact CD2-CD1 3.99Å; L134-Y171 HydrophobicContact CD2-CE1 3.79Å; L158-Y171 HydrophobicContact CD2-CD1 3.68Å; L158-Y171 HydrophobicContact CD2-CE1 3.95Å; L160-Y171 HydrophobicContact CD2-CE1 4.33Å; L160-Y171 WeakPolarHBondContact CD2-OH 3.09Å; N167-Y171 WeakPolarHBondContact O-CE2 3.43Å; N167-Y171 PolarHBondContact O-OH 3.43Å; G169-Y171 WeakPolarHBondContact O-CD2 3.29Å; Y171-S185 CarbonylContact O-C 3.57Å; Y171-S185 VanDerWaalsContact O-CA 3.3Å; Y171-S185 WeakPolarHBondContact O-CA 3.44Å; Y171-I186 PolarHBondContact N-O 3.26Å; Y171-I186 PolarHBondContact O-N 2.99Å; Y171-A188 HydrophobicContact CD2-CB 3.77Å; Y171-A188 HydrophobicContact CE2-CB 3.9Å; Y171-F190 AromaticContact CE2-CE2 3.85Å; Y171-F190 HydrophobicContact CE2-CE2 3.85Å; Y171-F190 HydrophobicContact CE2-CZ 4.15Å
172	T	93.3	Very high	87.5	Confident	16 Å²	16	46.4 Å²	46.4	10%	0.098	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.9	179	-60.6	0	0	0	0	110.6	W127 L128 L174 A184 S185	W127-T172 CarbonylContact C-O 3.57Å; W127-T172 WeakPolarHBondContact CA-O 3.48Å; L128-T172 PolarHBondContact N-O 2.93Å; L128-T172 PolarHBondContact O-N 3.12Å; T172-L174 HydrophobicContact CG2-CD2 3.97Å; T172-A184 CarbonylContact C-O 3.5Å; T172-A184 VanDerWaalsContact CA-O 3.3Å; T172-A184 WeakPolarHBondContact CA-O 3.48Å; T172-S185 WeakPolarHBondContact CG2-OG 3.37Å; T172-S185 WeakPolarHBondContact OG1-CB 3.32Å; T172-S185 PolarHBondContact OG1-OG 2.64Å
173	L	94.6	Very high	88.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.2	172.7	179.7	55.4	0	0	0	109.5	V100 L102 F115 V117 L125 W127 S183 A184	V100-L173 HydrophobicContact CG2-CB 4.25Å; V100-L173 HydrophobicContact CG2-CD2 3.7Å; V100-L173 HydrophobicContact CG2-CG 3.94Å; L102-L173 HydrophobicContact CD1-CB 4.33Å; L102-L173 HydrophobicContact CD2-CB 4.01Å; L102-L173 HydrophobicContact CD2-CD2 4.18Å; L102-L173 HydrophobicContact CG-CB 4.42Å; F115-L173 HydrophobicContact CB-CD2 3.62Å; F115-L173 HydrophobicContact CD1-CD2 4.13Å; F115-L173 HydrophobicContact CD2-CD2 3.64Å; F115-L173 HydrophobicContact CE2-CD2 4.3Å; F115-L173 HydrophobicContact CG-CD2 3.54Å; V117-L173 HydrophobicContact CG2-CD2 3.96Å; L125-L173 HydrophobicContact CB-CD1 4.1Å; L125-L173 HydrophobicContact CD1-CD1 4.32Å; L125-L173 HydrophobicContact CD2-CD1 4.36Å; L125-L173 HydrophobicContact CG-CD1 4.49Å; W127-L173 HydrophobicContact CD2-CB 4.25Å; W127-L173 HydrophobicContact CD2-CD1 3.98Å; W127-L173 HydrophobicContact CE3-CB 3.91Å; W127-L173 HydrophobicContact CE3-CD1 4.5Å; W127-L173 HydrophobicContact CG-CD1 4.31Å; W127-L173 HydrophobicContact CH2-CB 3.86Å; W127-L173 HydrophobicContact CH2-CD2 4.21Å; W127-L173 HydrophobicContact CH2-CG 4.48Å; W127-L173 HydrophobicContact CZ2-CB 4.15Å; W127-L173 HydrophobicContact CZ2-CD1 4.16Å; W127-L173 HydrophobicContact CZ2-CD2 3.92Å; W127-L173 HydrophobicContact CZ2-CG 4.3Å; W127-L173 HydrophobicContact CZ3-CB 3.72Å; L173-S183 WeakPolarHBondContact O-CA 3.28Å; L173-A184 PolarHBondContact N-O 2.91Å; L173-A184 PolarHBondContact O-N 2.9Å; L173-A184 VanDerWaalsContact O-N 3.14Å
174	L	93.6	Very high	88.8	Confident	38 Å²	38	44.4 Å²	44.4	20%	0.199	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.7	171	-54.2	-178.7	0	0	0	109.3	L125 R126 L128 T172 S183	L125-L174 CarbonylContact C-O 3.58Å; L125-L174 WeakPolarHBondContact CA-O 3.3Å; R126-L174 HydrophobicContact CB-CB 4.47Å; R126-L174 PolarHBondContact N-O 3.37Å; R126-L174 PolarHBondContact O-N 2.88Å; L128-L174 HydrophobicContact CD1-CD1 4.09Å; L128-L174 HydrophobicContact CD1-CG 4.44Å; L128-L174 HydrophobicContact CG-CD1 4.27Å; T172-L174 HydrophobicContact CG2-CD2 3.97Å; L174-S183 VanDerWaalsContact CD2-CB 3.5Å
175	A	92.3	Very high	89.3	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.8	172.4	0	0	0	0	0	109.6	A98 V100 V117 P123 S124 L125 Q181 A182	A98-A175 HydrophobicContact CB-CB 4.21Å; A98-A175 WeakPolarHBondContact CB-O 3.44Å; V100-A175 HydrophobicContact CB-CB 4.13Å; V100-A175 HydrophobicContact CG1-CB 4.5Å; V117-A175 HydrophobicContact CG1-CB 3.81Å; V117-A175 HydrophobicContact CG2-CB 4.23Å; P123-A175 HydrophobicContact CB-CB 4.3Å; S124-A175 WeakPolarHBondContact O-CA 3.37Å; L125-A175 HydrophobicContact CD2-CB 3.74Å; A175-Q181 CarbonylContact O-C 3.54Å; A175-Q181 WeakPolarHBondContact O-CA 3.47Å; A175-A182 PolarHBondContact N-O 3.42Å; A175-A182 PolarHBondContact O-N 2.95Å
176	A	91.6	Very high	89.8	Confident	31 Å²	31	45.2 Å²	45.2	26%	0.256	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	137.1	-176.3	0	0	0	0	0	112.7	P123 S124 Q181	P123-A176 CarbonylContact C-O 3.55Å; P123-A176 VanDerWaalsContact CA-O 3.22Å; P123-A176 WeakPolarHBondContact CA-O 3.42Å; P123-A176 WeakPolarHBondContact CB-O 3.44Å; S124-A176 PolarHBondContact N-O 2.89Å; S124-A176 PolarHBondContact O-N 3.3Å; S124-A176 PolarHBondContact OG-O 3.06Å; A176-Q181 HydrophobicContact CB-CB 4.27Å; A176-Q181 HydrophobicContact CB-CG 4.11Å
177	N	90.2	Very high	89.9	Confident	21 Å²	21	47.1 Å²	47.1	11%	0.112	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	175	168.6	80	3.9	0	0	0	110.3	F96 A98 P121 P123 F179 G180	F96-N177 PolarHBondContact O-ND2 3.14Å; A98-N177 PolarHBondContact N-OD1 3.47Å; P121-N177 WeakPolarHBondContact O-CB 3.37Å; P121-N177 PolarHBondContact O-ND2 2.75Å; P123-N177 HydrophobicContact CB-CB 4.22Å; N177-F179 PolarHBondContact O-N 2.99Å; N177-F179 PolarHBondContact OD1-N 2.97Å; N177-G180 PolarHBondContact N-O 3.31Å; N177-G180 PolarHBondContact O-N 2.91Å; N177-G180 VanDerWaalsContact O-O 3.09Å; N177-G180 PolarHBondContact OD1-N 3.25Å; N177-G180 VanDerWaalsContact OD1-N 3.11Å; N177-G180 PolarHBondContact OD1-O 3.38Å
178	P	89.3	Confident	89.6	Confident	112 Å²	112	45.6 Å²	45.6	73%	0.727	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-11.4	-177.5	-25.8	36	0	0	0	115.8
179	F	85.1	Confident	89.5	Confident	123 Å²	123	46.8 Å²	46.8	54%	0.539	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-13	-176.4	-62	-81.7	0	0	0	113.1	P121 N177	P121-F179 VanDerWaalsContact CD-CE2 3.4Å; P121-F179 HydrophobicContact CG-CE2 4.31Å; N177-F179 PolarHBondContact O-N 2.99Å; N177-F179 PolarHBondContact OD1-N 2.97Å
180	G	87	Confident	89	Confident	26 Å²	26	47.3 Å²	47.3	27%	0.268	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	169.6	172.6	176.2	0	0	0	0	0	114	N177	N177-G180 PolarHBondContact N-O 3.31Å; N177-G180 PolarHBondContact O-N 2.91Å; N177-G180 VanDerWaalsContact O-O 3.09Å; N177-G180 PolarHBondContact OD1-N 3.25Å; N177-G180 VanDerWaalsContact OD1-N 3.11Å; N177-G180 PolarHBondContact OD1-O 3.38Å
181	Q	90.1	Very high	88.1	Confident	130 Å²	130	48.8 Å²	48.8	61%	0.607	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	141.6	175.9	-179.3	176.5	1.2	0	0	109.5	A175 A176	A175-Q181 CarbonylContact O-C 3.54Å; A175-Q181 WeakPolarHBondContact O-CA 3.47Å; A176-Q181 HydrophobicContact CB-CB 4.27Å; A176-Q181 HydrophobicContact CB-CG 4.11Å
182	A	89.9	Confident	87	Confident	23 Å²	23	56 Å²	56	19%	0.19	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	155.7	169	0	0	0	0	0	110.3	A98 V100 A175	A98-A182 VanDerWaalsContact O-CB 3.28Å; A98-A182 WeakPolarHBondContact O-CB 3.33Å; V100-A182 HydrophobicContact CG1-CB 3.83Å; A175-A182 PolarHBondContact N-O 3.42Å; A175-A182 PolarHBondContact O-N 2.95Å
183	S	91.9	Very high	85.8	Confident	78 Å²	78	58.2 Å²	58.2	55%	0.545	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	138.8	178.2	57	0	0	0	0	110.1	L173 L174	L173-S183 WeakPolarHBondContact O-CA 3.28Å; L174-S183 VanDerWaalsContact CD2-CB 3.5Å
184	A	88.2	Confident	84.1	Confident	20 Å²	20	62.7 Å²	62.7	17%	0.165	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	146.9	169.2	0	0	0	0	0	109.2	V100 L102 T172 L173	V100-A184 HydrophobicContact CG1-CB 3.98Å; V100-A184 HydrophobicContact CG2-CB 4.3Å; L102-A184 HydrophobicContact CB-CB 4.16Å; L102-A184 HydrophobicContact CD1-CB 4.23Å; L102-A184 WeakPolarHBondContact CD1-O 3.36Å; L102-A184 HydrophobicContact CG-CB 3.78Å; T172-A184 CarbonylContact C-O 3.5Å; T172-A184 VanDerWaalsContact CA-O 3.3Å; T172-A184 WeakPolarHBondContact CA-O 3.48Å; L173-A184 PolarHBondContact N-O 2.91Å; L173-A184 PolarHBondContact O-N 2.9Å; L173-A184 VanDerWaalsContact O-N 3.14Å
185	S	89.7	Confident	82.7	Confident	70 Å²	70	65.7 Å²	65.7	49%	0.49	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	144.1	-176.8	-59	0	0	0	0	110.2	Y171 T172	Y171-S185 CarbonylContact O-C 3.57Å; Y171-S185 VanDerWaalsContact O-CA 3.3Å; Y171-S185 WeakPolarHBondContact O-CA 3.44Å; T172-S185 WeakPolarHBondContact CG2-OG 3.37Å; T172-S185 WeakPolarHBondContact OG1-CB 3.32Å; T172-S185 PolarHBondContact OG1-OG 2.64Å
186	I	88.9	Confident	81	Confident	34 Å²	34	75.8 Å²	75.8	17%	0.174	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	134.8	175.6	-169.7	63.4	0	0	0	110.1	L102 T104 I113 N170 Y171	L102-I186 HydrophobicContact CB-CB 4.33Å; L102-I186 HydrophobicContact CB-CG2 4.41Å; L102-I186 HydrophobicContact CD1-CB 4.18Å; L102-I186 HydrophobicContact CD1-CG2 3.77Å; T104-I186 HydrophobicContact CG2-CD1 4.3Å; I113-I186 HydrophobicContact CG2-CG2 3.68Å; N170-I186 PolarHBondContact OD1-O 2.72Å; Y171-I186 PolarHBondContact N-O 3.26Å; Y171-I186 PolarHBondContact O-N 2.99Å
187	M	85.1	Confident	79.3	Confident	124 Å²	124	80.4 Å²	80.4	61%	0.611	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	120.4	170.8	-172	64.1	-142.2	0	0	108.7	G169 N170	G169-M187 VanDerWaalsContact C-CE 3.46Å; G169-M187 VanDerWaalsContact C-SD 3.58Å; G169-M187 VanDerWaalsContact CA-CE 3.45Å; N170-M187 HydrophobicContact CB-SD 4.31Å
188	A	82.6	Confident	77.5	Confident	1 Å²	1	82.9 Å²	82.9	1%	0.008	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.6	176.7	0	0	0	0	0	110.4	A105 I113 N168 G169 Y171 F190	A105-A188 HydrophobicContact CB-CB 4.11Å; I113-A188 HydrophobicContact CD1-CB 4Å; N168-A188 WeakPolarHBondContact CA-O 3.25Å; G169-A188 PolarHBondContact N-O 3.43Å; G169-A188 PolarHBondContact O-N 3.24Å; Y171-A188 HydrophobicContact CD2-CB 3.77Å; Y171-A188 HydrophobicContact CE2-CB 3.9Å; A188-F190 HydrophobicContact CB-CE1 4.09Å; A188-F190 HydrophobicContact CB-CE2 4.02Å; A188-F190 HydrophobicContact CB-CZ 3.64Å
189	A	81.3	Confident	75.8	Confident	68 Å²	68	81 Å²	81	56%	0.562	44%	0.443	S	S	*	.			trans	-125.4	129	171.1	0	0	0	0	0	108
190	F	79.1	Confident	74.4	Confident	14 Å²	14	83.6 Å²	83.6	6%	0.061	46%	0.457	C	S	.	.			trans	-115.1	-42.1	-167.8	-61.6	-59.2	0	0	0	112.9	A105 W111 I113 L160 P163 N167 N168 Y171 A188	A105-F190 HydrophobicContact CB-CE1 4.15Å; W111-F190 HydrophobicContact CB-CD1 4.19Å; W111-F190 HydrophobicContact CB-CE1 3.93Å; W111-F190 AromaticContact CD2-CD1 3.37Å; W111-F190 HydrophobicContact CD2-CD1 3.37Å; W111-F190 AromaticContact CD2-CE1 3.83Å; W111-F190 HydrophobicContact CD2-CE1 3.83Å; W111-F190 HydrophobicContact CD2-CG 4.46Å; W111-F190 AromaticContact CE2-CD1 3.8Å; W111-F190 AromaticContact CE3-CD1 3.38Å; W111-F190 HydrophobicContact CE3-CD1 3.38Å; W111-F190 AromaticContact CE3-CE1 3.62Å; W111-F190 HydrophobicContact CE3-CE1 3.62Å; W111-F190 AromaticContact CG-CD1 3.78Å; W111-F190 HydrophobicContact CG-CD1 3.78Å; W111-F190 HydrophobicContact CG-CE1 4.02Å; W111-F190 HydrophobicContact CH2-CD1 4.13Å; W111-F190 HydrophobicContact CZ2-CB 4.34Å; W111-F190 HydrophobicContact CZ2-CD1 4.16Å; W111-F190 WeakPolarHBondContact CZ2-O 3.21Å; W111-F190 AromaticContact CZ3-CD1 3.77Å; W111-F190 HydrophobicContact CZ3-CD1 3.77Å; W111-F190 HydrophobicContact CZ3-CE1 4.25Å; I113-F190 HydrophobicContact CD1-CZ 4.28Å; L160-F190 HydrophobicContact CD1-CZ 4.01Å; L160-F190 HydrophobicContact CD2-CE2 3.92Å; L160-F190 HydrophobicContact CD2-CZ 3.87Å; P163-F190 HydrophobicContact CB-CB 4.13Å; P163-F190 HydrophobicContact CB-CD1 4.34Å; P163-F190 HydrophobicContact CB-CD2 3.82Å; P163-F190 HydrophobicContact CB-CE2 4.24Å; P163-F190 HydrophobicContact CB-CG 3.85Å; P163-F190 HydrophobicContact CG-CB 4Å; P163-F190 HydrophobicContact CG-CD1 3.85Å; P163-F190 HydrophobicContact CG-CD2 4.23Å; P163-F190 HydrophobicContact CG-CE1 4.32Å; P163-F190 HydrophobicContact CG-CG 3.78Å; N167-F190 HydrophobicContact CB-CD2 3.6Å; N167-F190 HydrophobicContact CB-CE2 3.78Å; N167-F190 WeakPolarHBondContact O-CD2 3.35Å; N167-F190 WeakPolarHBondContact O-CE2 3.34Å; N168-F190 PolarHBondContact OD1-N 3.01Å; Y171-F190 AromaticContact CE2-CE2 3.85Å; Y171-F190 HydrophobicContact CE2-CE2 3.85Å; Y171-F190 HydrophobicContact CE2-CZ 4.15Å; A188-F190 HydrophobicContact CB-CE1 4.09Å; A188-F190 HydrophobicContact CB-CE2 4.02Å; A188-F190 HydrophobicContact CB-CZ 3.64Å
191	M	73.3	Confident	72.8	Confident	95 Å²	95	87.1 Å²	87.1	47%	0.468	47%	0.47	S	S	.	.	S	Bend	trans	-145.4	147.5	170.4	-70.4	-158.2	-76.9	0	0	108.9	T164 H165 N168	T164-M191 HydrophobicContact CG2-CE 3.64Å; H165-M191 WeakPolarHBondContact CB-O 3.49Å; N168-M191 PolarHBondContact ND2-O 3.06Å
192	D	71	Confident	70.6	Confident	152 Å²	152	86.6 Å²	86.6	81%	0.813	48%	0.478	S	S	*	.			trans	-61.6	149.6	168.9	-65.2	-44.5	0	0	0	110.6	P194	D192-P194 VanDerWaalsContact O-CD 3.25Å; D192-P194 WeakPolarHBondContact O-CD 3.21Å
193	N	66.5	Low	68.4	Low	63 Å²	63	92.1 Å²	92.1	34%	0.337	50%	0.502	S	S	.	.			trans	-69.1	116.4	173.9	-178	8.8	0	0	0	108.8	H165 F195 F197	H165-N193 HydrophobicContact CB-CB 4.45Å; N193-F195 PolarHBondContact ND2-O 3.43Å; N193-F195 VanDerWaalsContact ND2-O 3.14Å; N193-F195 PolarHBondContact O-N 3.19Å; N193-F195 WeakPolarHBondContact OD1-CB 3.33Å; N193-F195 VanDerWaalsContact OD1-CD2 3.32Å; N193-F195 WeakPolarHBondContact OD1-CD2 3.36Å; N193-F195 PolarHBondContact OD1-N 3.28Å; N193-F197 PolarHBondContact ND2-O 3.48Å
194	P	60.3	Low	66	Low	94 Å²	94	94.1 Å²	94.1	61%	0.61	51%	0.513	S	S	*	.	S	Bend	trans	-76.1	-3	179.6	34	-36.7	0	0	0	112.9	H165 D192	H165-P194 VanDerWaalsContact ND1-CD 3.33Å; H165-P194 WeakPolarHBondContact ND1-CD 3.45Å; D192-P194 VanDerWaalsContact O-CD 3.25Å; D192-P194 WeakPolarHBondContact O-CD 3.21Å
195	F	64.1	Low	63.5	Low	101 Å²	101	98.4 Å²	98.4	44%	0.443	54%	0.537	S	S	.	.	S	Bend	trans	-105.9	135.6	179.2	-50.5	-66	0	0	0	110.6	H165 N193 F197	H165-F195 AromaticContact CE1-CE2 3.78Å; H165-F195 AromaticContact NE2-CE2 3.87Å; N193-F195 PolarHBondContact ND2-O 3.43Å; N193-F195 VanDerWaalsContact ND2-O 3.14Å; N193-F195 PolarHBondContact O-N 3.19Å; N193-F195 WeakPolarHBondContact OD1-CB 3.33Å; N193-F195 VanDerWaalsContact OD1-CD2 3.32Å; N193-F195 WeakPolarHBondContact OD1-CD2 3.36Å; N193-F195 PolarHBondContact OD1-N 3.28Å; F195-F197 HydrophobicContact CB-CD1 4.21Å; F195-F197 HydrophobicContact CB-CE1 4.12Å; F195-F197 HydrophobicContact CB-CZ 4.46Å; F195-F197 PolarHBondContact O-N 2.7Å; F195-F197 VanDerWaalsContact O-N 3.13Å
196	E	56.2	Low	61	Low	211 Å²	211	100 Å²	100	99%	0.986	55%	0.549	S	S	*	.	S	Bend	trans	-67.7	-6.2	173.8	-66.6	-173	152.5	0	0	113.5
197	F	56.2	Low	58.5	Low	128 Å²	128	107.4 Å²	107.4	56%	0.561	58%	0.58	S	S	*	*	S	Bend	trans	-122	151.2	176.5	65	-85.1	0	0	0	110.9	N193 F195	N193-F197 PolarHBondContact ND2-O 3.48Å; F195-F197 HydrophobicContact CB-CD1 4.21Å; F195-F197 HydrophobicContact CB-CE1 4.12Å; F195-F197 HydrophobicContact CB-CZ 4.46Å; F195-F197 PolarHBondContact O-N 2.7Å; F195-F197 VanDerWaalsContact O-N 3.13Å
198	N	52.6	Low	56.1	Low	74 Å²	74	106.2 Å²	106.2	40%	0.396	58%	0.584	S	S	.	*			trans	-79.3	121.2	172.9	-178.7	31.2	0	0	0	108.9	E200 D201	N198-E200 PolarHBondContact O-N 2.63Å; N198-E200 VanDerWaalsContact O-N 3.15Å; N198-D201 HydrophobicContact CB-CB 4.4Å; N198-D201 PolarHBondContact ND2-OD1 3.05Å; N198-D201 WeakPolarHBondContact O-CB 3.48Å; N198-D201 PolarHBondContact O-N 3.31Å
199	P	52.8	Low	54.4	Low	72 Å²	72	112.2 Å²	112.2	47%	0.468	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.5	-9.4	-175.8	27	-34.9	0	0	0	114.5
200	E	55.1	Low	52.2	Low	177 Å²	177	115.5 Å²	115.5	83%	0.827	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-10.1	170.1	-62.3	-162.2	159.7	0	0	113.7	N198	N198-E200 PolarHBondContact O-N 2.63Å; N198-E200 VanDerWaalsContact O-N 3.15Å
201	D	54.3	Low	49.9	Very low	101 Å²	101	121.3 Å²	121.3	54%	0.54	67%	0.667	S	S	.	*	S	Bend	trans	-77.6	132.9	176	-69	-7.7	0	0	0	110.2	N198 I203	N198-D201 HydrophobicContact CB-CB 4.4Å; N198-D201 PolarHBondContact ND2-OD1 3.05Å; N198-D201 WeakPolarHBondContact O-CB 3.48Å; N198-D201 PolarHBondContact O-N 3.31Å; D201-I203 PolarHBondContact O-N 3.19Å
202	P	44	Very low	48.1	Very low	119 Å²	119	122.3 Å²	122.3	77%	0.773	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-66.8	120.3	179.3	26.5	-33.5	0	0	0	110.8	P204	P202-P204 WeakPolarHBondContact O-CD 3.44Å; P202-P204 VanDerWaalsContact O-N 3.15Å
203	I	43.4	Very low	46.3	Very low	139 Å²	139	123.3 Å²	123.3	71%	0.713	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-54.3	118.1	179.6	-57	172.7	0	0	0	109.7	D201 V205	D201-I203 PolarHBondContact O-N 3.19Å; I203-V205 WeakPolarHBondContact O-CG2 3.46Å; I203-V205 PolarHBondContact O-N 2.71Å
204	P	40.7	Very low	44.8	Very low	119 Å²	119	125.5 Å²	125.5	77%	0.773	71%	0.705	S	S	*	*			trans	-74	97.5	177.9	28.8	-32.8	0	0	0	109.7	P202 S206	P202-P204 WeakPolarHBondContact O-CD 3.44Å; P202-P204 VanDerWaalsContact O-N 3.15Å; P204-S206 VanDerWaalsContact C-N 3.3Å; P204-S206 PolarHBondContact O-N 3.1Å
205	V	36.4	Very low	43.4	Very low	111 Å²	111	127.9 Å²	127.9	67%	0.673	72%	0.717	S	S	*	*			trans	-73.3	81.7	179.5	-158.1	0	0	0	0	110.3	I203 F207	I203-V205 WeakPolarHBondContact O-CG2 3.46Å; I203-V205 PolarHBondContact O-N 2.71Å; V205-F207 HydrophobicContact CG1-CE2 4.08Å; V205-F207 HydrophobicContact CG1-CZ 4.33Å; V205-F207 PolarHBondContact O-N 2.69Å
206	S	36.2	Very low	42.1	Very low	104 Å²	104	128.3 Å²	128.3	73%	0.727	73%	0.733	S	S	*	*			trans	-76	107.7	171.4	-172.6	0	0	0	0	109.9	P204 S208	P204-S206 VanDerWaalsContact C-N 3.3Å; P204-S206 PolarHBondContact O-N 3.1Å; S206-S208 PolarHBondContact O-N 2.74Å
207	F	37.4	Very low	41	Very low	188 Å²	188	121.9 Å²	121.9	83%	0.825	72%	0.723	S	S	*	*			trans	-73.2	114.4	171.3	-73.8	-89.8	0	0	0	109.8	V205	V205-F207 HydrophobicContact CG1-CE2 4.08Å; V205-F207 HydrophobicContact CG1-CZ 4.33Å; V205-F207 PolarHBondContact O-N 2.69Å
208	S	34	Very low	40	Very low	100 Å²	100	122.5 Å²	122.5	70%	0.699	73%	0.733	S	S	*	*			trans	-147.3	121.7	166.6	-72.9	0	0	0	0	108.8	S206	S206-S208 PolarHBondContact O-N 2.74Å
209	P	47.2	Very low	39.1	Very low	127 Å²	127	124.9 Å²	124.9	83%	0.825	75%	0.752	S	S	*	*			trans	-92.7	119.9	-172.5	33.4	-31.2	0	0	0	112.1
210	V	35	Very low	38.3	Very low	136 Å²	136	127.3 Å²	127.3	82%	0.824	77%	0.765	S	S	*	*			trans	-143.1	93.8	157.9	-173.8	0	0	0	0	110.4
211	D	31.8	Very low	37.6	Very low	136 Å²	136	127.9 Å²	127.9	73%	0.727	77%	0.768	S	S	*	*			trans	42.8	106.6	132.8	-57.2	-21.8	0	0	0	122
212	T	35.8	Very low	36.6	Very low	117 Å²	117	130.6 Å²	130.6	72%	0.718	78%	0.775	S	S	*	*			trans	55.9	103.8	130.4	59.7	0	0	0	0	120.3
213	N	32.4	Very low	36.3	Very low	173 Å²	173	133.4 Å²	133.4	93%	0.925	78%	0.775	S	S	*	*				-153.3	102.5	109.2	-104.7	-23.7	0	0	0	110.1
214	S	34.9	Very low	36.5	Very low	109 Å²	109	133.7 Å²	133.7	76%	0.762	78%	0.778	S	S	*	*			trans	-95.9	138.6	176.5	47.9	0	0	0	0	111.1
215	T	31.6	Very low	36.5	Very low	143 Å²	143	135 Å²	135	88%	0.877	77%	0.774	S	S	*	*			trans	-139.3	127.8	145.5	-46.2	0	0	0	0	107.7
216	S	36.3	Very low	37.3	Very low	111 Å²	111	134.5 Å²	134.5	78%	0.776	77%	0.771	S	S	*	*			trans	-73.7	150.5	-165	43.6	0	0	0	0	113.8
217	G	32.4	Very low	38.1	Very low	76 Å²	76	135.2 Å²	135.2	78%	0.784	77%	0.773	S	S	*	*			trans	-162.6	54.8	174.9	0	0	0	0	0	111.1
218	D	35.2	Very low	38.8	Very low	141 Å²	141	134.1 Å²	134.1	75%	0.754	77%	0.768	S	S	*	*			trans	-58.5	144.4	174.1	-70.4	-53.9	0	0	0	111	V220	D218-V220 PolarHBondContact O-N 2.94Å; D218-V220 VanDerWaalsContact O-N 3.09Å
219	P	34.6	Very low	39.7	Very low	124 Å²	124	131.7 Å²	131.7	81%	0.805	76%	0.76	S	S	*	*			trans	-67.8	110.7	176.8	27.7	-33.2	0	0	0	110.1	E221	P219-E221 PolarHBondContact O-N 2.96Å; P219-E221 VanDerWaalsContact O-N 3.12Å
220	V	35.5	Very low	40.3	Very low	122 Å²	122	130.5 Å²	130.5	74%	0.739	75%	0.75	S	S	*	*			trans	-69.4	108.8	177.2	-179	0	0	0	0	110	D218 K222	D218-V220 PolarHBondContact O-N 2.94Å; D218-V220 VanDerWaalsContact O-N 3.09Å; V220-K222 VanDerWaalsContact C-N 3.35Å; V220-K222 HydrophobicContact CG1-CG 3.9Å; V220-K222 PolarHBondContact O-N 3.03Å
221	E	41.1	Very low	41.7	Very low	190 Å²	190	128.4 Å²	128.4	89%	0.888	74%	0.741	S	S	*	*			trans	-66.8	91.2	164.8	-170.9	-178.6	-150.2	0	0	109.2	P219 K223	P219-E221 PolarHBondContact O-N 2.96Å; P219-E221 VanDerWaalsContact O-N 3.12Å; E221-K223 PolarHBondContact O-N 2.93Å
222	K	32	Very low	43.6	Very low	157 Å²	157	125.7 Å²	125.7	68%	0.683	73%	0.729	S	S	*	*			trans	-79	108.2	176.6	-92.1	-158.9	167.9	-158.3	0	111.4	V220 E225	V220-K222 VanDerWaalsContact C-N 3.35Å; V220-K222 HydrophobicContact CG1-CG 3.9Å; V220-K222 PolarHBondContact O-N 3.03Å; K222-E225 IonicContact NZ-OE1 2.71Å; K222-E225 PolarHBondContact NZ-OE1 2.88Å
223	K	38.4	Very low	45.2	Very low	179 Å²	179	123 Å²	123	78%	0.778	72%	0.719	S	S	*	*			trans	-89.3	129.6	171.2	-153.3	171.3	-172.9	169.5	0	110.5	E221	E221-K223 PolarHBondContact O-N 2.93Å
224	D	48.6	Very low	47.4	Very low	145 Å²	145	119 Å²	119	78%	0.775	70%	0.7	S	S	*	*			trans	53.1	95.8	162.5	-60	-36.8	0	0	0	120.4
225	E	40.2	Very low	49.5	Very low	146 Å²	146	115.8 Å²	115.8	68%	0.682	69%	0.685	S	S	*	*			trans	-145.5	122.9	162.2	-62.7	-178	-122.2	0	0	109.9	K222	K222-E225 IonicContact NZ-OE1 2.71Å; K222-E225 PolarHBondContact NZ-OE1 2.88Å
226	T	53.2	Low	52	Low	101 Å²	101	114.7 Å²	114.7	62%	0.62	67%	0.673	S	S	*	*			cis	-149.9	165.7	-23.5	63.9	0	0	0	0	108.6	F228	T226-F228 PolarHBondContact O-N 2.88Å; T226-F228 VanDerWaalsContact O-N 3.11Å
227	P	51.9	Low	54.1	Low	119 Å²	119	112 Å²	112	77%	0.773	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-6.7	-178.2	-19.1	32.3	0	0	0	116.3
228	F	52.6	Low	56.8	Low	164 Å²	164	112.3 Å²	112.3	72%	0.719	64%	0.644	S	S	*	*	H	α-helix	trans	-77.9	-34.4	-165.8	-148.3	-99.4	0	0	0	113.1	T226 V230 S231 V232	T226-F228 PolarHBondContact O-N 2.88Å; T226-F228 VanDerWaalsContact O-N 3.11Å; F228-V230 PolarHBondContact O-N 3.32Å; F228-S231 PolarHBondContact O-N 3.42Å; F228-V232 HydrophobicContact CD1-CG2 4.47Å; F228-V232 PolarHBondContact O-N 3.26Å
229	G	54	Low	59.3	Low	50 Å²	50	112.6 Å²	112.6	52%	0.515	64%	0.639	S	S	.	*	H	α-helix	trans	-65.9	-35.4	-176.9	0	0	0	0	0	114.2	S231 V232 A233	G229-S231 PolarHBondContact O-N 3.07Å; G229-V232 PolarHBondContact O-N 3.21Å; G229-A233 PolarHBondContact O-N 2.85Å
230	V	60	Low	61.9	Low	102 Å²	102	109 Å²	109	62%	0.618	62%	0.619	S	S	*	*	H	α-helix	trans	-66.2	-39.6	-179.8	-176.1	0	0	0	0	111.1	F228 V232 A233 V234	F228-V230 PolarHBondContact O-N 3.32Å; V230-V232 PolarHBondContact O-N 2.91Å; V230-A233 PolarHBondContact O-N 2.8Å; V230-V234 WeakPolarHBondContact O-CG2 3.47Å; V230-V234 PolarHBondContact O-N 3.08Å
231	S	62.6	Low	64.3	Low	91 Å²	91	106.9 Å²	106.9	64%	0.636	61%	0.609	S	S	*	*	H	α-helix	trans	-63.9	-40.6	178	-166.5	0	0	0	0	112.1	F228 G229 G235	F228-S231 PolarHBondContact O-N 3.42Å; G229-S231 PolarHBondContact O-N 3.07Å; S231-G235 PolarHBondContact O-N 2.79Å
232	V	71.7	Confident	66.6	Low	79 Å²	79	103 Å²	103	48%	0.479	59%	0.594	S	S	.	*	H	α-helix	trans	-66	-44	175.8	178.5	0	0	0	0	111.3	F228 G229 V230 V234 G235 L236	F228-V232 HydrophobicContact CD1-CG2 4.47Å; F228-V232 PolarHBondContact O-N 3.26Å; G229-V232 PolarHBondContact O-N 3.21Å; V230-V232 PolarHBondContact O-N 2.91Å; V232-V234 PolarHBondContact O-N 3.46Å; V232-G235 PolarHBondContact O-N 2.99Å; V232-L236 HydrophobicContact CG1-CD1 4.19Å; V232-L236 WeakPolarHBondContact O-CG 3.26Å; V232-L236 PolarHBondContact O-N 2.94Å
233	A	69.9	Low	69.3	Low	61 Å²	61	101.5 Å²	101.5	50%	0.504	59%	0.587	S	S	.	*	H	α-helix	trans	-61.4	-42.8	177.7	0	0	0	0	0	112.4	G229 V230 L236 A237	G229-A233 PolarHBondContact O-N 2.85Å; V230-A233 PolarHBondContact O-N 2.8Å; A233-L236 PolarHBondContact O-N 2.92Å; A233-A237 WeakPolarHBondContact O-CB 3.36Å; A233-A237 PolarHBondContact O-N 2.99Å
234	V	78.2	Confident	71.6	Confident	88 Å²	88	97.8 Å²	97.8	53%	0.533	58%	0.576	S	S	.	*	H	α-helix	trans	-64.8	-42.1	175.1	173.2	0	0	0	0	111.2	V230 V232 L236 A237 V238	V230-V234 WeakPolarHBondContact O-CG2 3.47Å; V230-V234 PolarHBondContact O-N 3.08Å; V232-V234 PolarHBondContact O-N 3.46Å; V234-L236 PolarHBondContact O-N 3.11Å; V234-A237 PolarHBondContact O-N 3.13Å; V234-V238 WeakPolarHBondContact O-CG2 3.45Å; V234-V238 PolarHBondContact O-N 2.87Å
235	G	80.7	Confident	73.4	Confident	43 Å²	43	94 Å²	94	44%	0.443	56%	0.56	S	S	.	*	H	α-helix	trans	-59	-44.5	175.8	0	0	0	0	0	113.3	S231 V232 V238 F239	S231-G235 PolarHBondContact O-N 2.79Å; V232-G235 PolarHBondContact O-N 2.99Å; G235-V238 PolarHBondContact O-N 3.44Å; G235-F239 PolarHBondContact O-N 3.37Å; G235-F239 VanDerWaalsContact O-N 3.09Å
236	L	83.8	Confident	75.5	Confident	119 Å²	119	90.8 Å²	90.8	62%	0.623	55%	0.551	S	S	*	*	H	α-helix	trans	-64.6	-41.1	176.1	-69.4	172.6	0	0	0	112.3	V232 A233 V234 F239 A240	V232-L236 HydrophobicContact CG1-CD1 4.19Å; V232-L236 WeakPolarHBondContact O-CG 3.26Å; V232-L236 PolarHBondContact O-N 2.94Å; A233-L236 PolarHBondContact O-N 2.92Å; V234-L236 PolarHBondContact O-N 3.11Å; L236-F239 PolarHBondContact O-N 3.24Å; L236-A240 PolarHBondContact O-N 2.99Å
237	A	80.1	Confident	77	Confident	55 Å²	55	89.7 Å²	89.7	46%	0.455	54%	0.541	S	S	.	.	H	α-helix	trans	-63.4	-43.3	177.2	0	0	0	0	0	112.4	A233 V234 F239 A240 C241	A233-A237 WeakPolarHBondContact O-CB 3.36Å; A233-A237 PolarHBondContact O-N 2.99Å; V234-A237 PolarHBondContact O-N 3.13Å; A237-F239 PolarHBondContact O-N 3.31Å; A237-A240 PolarHBondContact O-N 3.18Å; A237-C241 PolarHBondContact O-N 2.93Å; A237-C241 PolarHBondContact O-SG 2.91Å
238	V	88.4	Confident	78.5	Confident	82 Å²	82	89.1 Å²	89.1	50%	0.497	53%	0.531	S	S	.	.	H	α-helix	trans	-62.5	-42.4	175.8	172.5	0	0	0	0	111.1	V234 G235 C241 L242	V234-V238 WeakPolarHBondContact O-CG2 3.45Å; V234-V238 PolarHBondContact O-N 2.87Å; G235-V238 PolarHBondContact O-N 3.44Å; V238-C241 PolarHBondContact O-N 2.86Å; V238-L242 HydrophobicContact CG1-CD1 4.09Å; V238-L242 WeakPolarHBondContact O-CG 3.32Å; V238-L242 PolarHBondContact O-N 3.44Å
239	F	89	Confident	79.9	Confident	148 Å²	148	87 Å²	87	65%	0.649	53%	0.527	S	S	*	.	H	α-helix	trans	-63.3	-43.3	177.6	-165.2	-91.8	0	0	0	112.2	G235 L236 A237 C241 L242 F243	G235-F239 PolarHBondContact O-N 3.37Å; G235-F239 VanDerWaalsContact O-N 3.09Å; L236-F239 PolarHBondContact O-N 3.24Å; A237-F239 PolarHBondContact O-N 3.31Å; F239-C241 PolarHBondContact O-N 3.39Å; F239-L242 PolarHBondContact O-N 3.03Å; F239-F243 WeakPolarHBondContact O-CB 3.43Å; F239-F243 PolarHBondContact O-N 3.47Å
240	A	87.4	Confident	81	Confident	47 Å²	47	88.6 Å²	88.6	39%	0.388	53%	0.526	S	S	.	.	H	α-helix	trans	-60.8	-43	175.8	0	0	0	0	0	112.4	L236 A237 F243 L244	L236-A240 PolarHBondContact O-N 2.99Å; A237-A240 PolarHBondContact O-N 3.18Å; A240-F243 PolarHBondContact O-N 2.6Å; A240-L244 WeakPolarHBondContact O-CB 3.32Å; A240-L244 WeakPolarHBondContact O-CG 3.37Å; A240-L244 PolarHBondContact O-N 2.83Å
241	C	87.1	Confident	81.7	Confident	79 Å²	79	88.9 Å²	88.9	53%	0.534	52%	0.523	S	S	.	.	H	α-helix	trans	-63.5	-39.8	176.4	-73.9	0	0	0	0	113	A237 V238 F239 S245	A237-C241 PolarHBondContact O-N 2.93Å; A237-C241 PolarHBondContact O-SG 2.91Å; V238-C241 PolarHBondContact O-N 2.86Å; F239-C241 PolarHBondContact O-N 3.39Å; C241-S245 WeakPolarHBondContact O-CB 3.46Å; C241-S245 PolarHBondContact O-N 2.88Å; C241-S245 PolarHBondContact O-OG 3.45Å
242	L	88.9	Confident	82.1	Confident	108 Å²	108	90.1 Å²	90.1	57%	0.565	52%	0.523	S	S	*	.	H	α-helix	trans	-68.7	-38.9	175.8	-69.8	172.2	0	0	0	111.9	V238 F239 S245 T246	V238-L242 HydrophobicContact CG1-CD1 4.09Å; V238-L242 WeakPolarHBondContact O-CG 3.32Å; V238-L242 PolarHBondContact O-N 3.44Å; F239-L242 PolarHBondContact O-N 3.03Å; L242-S245 PolarHBondContact O-N 3Å; L242-T246 WeakPolarHBondContact O-CG2 3.13Å; L242-T246 PolarHBondContact O-N 3.05Å; L242-T246 PolarHBondContact O-OG1 3.46Å
243	F	89.7	Confident	82.1	Confident	125 Å²	125	94.7 Å²	94.7	55%	0.548	54%	0.536	S	S	.	.	H	α-helix	trans	-64.3	-46.2	175.3	-175.1	-97.7	0	0	0	111.8	F239 A240 S245 T246 L247	F239-F243 WeakPolarHBondContact O-CB 3.43Å; F239-F243 PolarHBondContact O-N 3.47Å; A240-F243 PolarHBondContact O-N 2.6Å; F243-S245 PolarHBondContact O-N 3.5Å; F243-T246 WeakPolarHBondContact CA-OG1 3.44Å; F243-T246 PolarHBondContact O-N 2.96Å; F243-T246 PolarHBondContact O-OG1 3.33Å; F243-L247 WeakPolarHBondContact O-CB 3.4Å; F243-L247 PolarHBondContact O-N 2.96Å
244	L	86.3	Confident	81.6	Confident	101 Å²	101	95.6 Å²	95.6	53%	0.529	54%	0.538	S	S	.	.	H	α-helix	trans	-62.7	-40.9	175.8	-75.8	165.9	0	0	0	112.1	A240 L247 L248	A240-L244 WeakPolarHBondContact O-CB 3.32Å; A240-L244 WeakPolarHBondContact O-CG 3.37Å; A240-L244 PolarHBondContact O-N 2.83Å; L244-L247 PolarHBondContact O-N 3.04Å; L244-L248 WeakPolarHBondContact O-CB 3.29Å; L244-L248 PolarHBondContact O-N 3.05Å
245	S	85.1	Confident	80.6	Confident	65 Å²	65	94.5 Å²	94.5	46%	0.455	54%	0.544	S	S	.	.	H	α-helix	trans	-65.3	-41.2	178.2	-60	0	0	0	0	112.3	C241 L242 F243 L249	C241-S245 WeakPolarHBondContact O-CB 3.46Å; C241-S245 PolarHBondContact O-N 2.88Å; C241-S245 PolarHBondContact O-OG 3.45Å; L242-S245 PolarHBondContact O-N 3Å; F243-S245 PolarHBondContact O-N 3.5Å; S245-L249 WeakPolarHBondContact O-CG 3.39Å; S245-L249 PolarHBondContact O-N 3.49Å
246	T	85.1	Confident	79.2	Confident	80 Å²	80	103.5 Å²	103.5	49%	0.491	57%	0.565	S	S	.	*	H	α-helix	trans	-70.3	-38.8	176.2	48.7	0	0	0	0	111.9	L242 F243 L249 V250	L242-T246 WeakPolarHBondContact O-CG2 3.13Å; L242-T246 PolarHBondContact O-N 3.05Å; L242-T246 PolarHBondContact O-OG1 3.46Å; F243-T246 WeakPolarHBondContact CA-OG1 3.44Å; F243-T246 PolarHBondContact O-N 2.96Å; F243-T246 PolarHBondContact O-OG1 3.33Å; T246-L249 PolarHBondContact O-N 2.88Å; T246-V250 WeakPolarHBondContact O-CG2 3.3Å; T246-V250 PolarHBondContact O-N 3.34Å
247	L	84.9	Confident	77.7	Confident	77 Å²	77	108.3 Å²	108.3	40%	0.403	58%	0.575	S	S	.	*	H	α-helix	trans	-60.5	-45.9	172.9	-176.3	64.3	0	0	0	112	F243 L244 L249 V250 L251	F243-L247 WeakPolarHBondContact O-CB 3.4Å; F243-L247 PolarHBondContact O-N 2.96Å; L244-L247 PolarHBondContact O-N 3.04Å; L247-L249 VanDerWaalsContact C-N 3.35Å; L247-L249 PolarHBondContact O-N 3.14Å; L247-V250 PolarHBondContact O-N 3.49Å; L247-L251 HydrophobicContact CD1-CD1 4.5Å; L247-L251 HydrophobicContact CG-CD1 4.12Å; L247-L251 WeakPolarHBondContact O-CB 3.27Å; L247-L251 WeakPolarHBondContact O-CG 3.43Å; L247-L251 PolarHBondContact O-N 3.23Å
248	L	82.6	Confident	76.1	Confident	108 Å²	108	112.8 Å²	112.8	57%	0.565	59%	0.591	S	S	*	*	H	α-helix	trans	-60.6	-40.5	174.9	-89.5	158.8	0	0	0	112.6	L244 L251 N252	L244-L248 WeakPolarHBondContact O-CB 3.29Å; L244-L248 PolarHBondContact O-N 3.05Å; L248-L251 PolarHBondContact O-N 3.22Å; L248-N252 WeakPolarHBondContact O-CB 3.47Å; L248-N252 PolarHBondContact O-N 2.88Å
249	L	82.1	Confident	74.2	Confident	120 Å²	120	118.4 Å²	118.4	63%	0.628	61%	0.609	S	S	*	*	H	α-helix	trans	-66.1	-38.8	175	-75	169.5	0	0	0	112.4	S245 T246 L247 K253	S245-L249 WeakPolarHBondContact O-CG 3.39Å; S245-L249 PolarHBondContact O-N 3.49Å; T246-L249 PolarHBondContact O-N 2.88Å; L247-L249 VanDerWaalsContact C-N 3.35Å; L247-L249 PolarHBondContact O-N 3.14Å; L249-K253 WeakPolarHBondContact O-CB 3.44Å; L249-K253 PolarHBondContact O-N 2.96Å
250	V	78.2	Confident	71.8	Confident	83 Å²	83	120.9 Å²	120.9	50%	0.503	62%	0.62	S	S	.	*	H	α-helix	trans	-65.3	-47.5	174.3	170.4	0	0	0	0	110.7	T246 L247 N252 K253 C254	T246-V250 WeakPolarHBondContact O-CG2 3.3Å; T246-V250 PolarHBondContact O-N 3.34Å; L247-V250 PolarHBondContact O-N 3.49Å; V250-N252 VanDerWaalsContact C-N 3.35Å; V250-N252 PolarHBondContact O-N 2.86Å; V250-K253 PolarHBondContact O-N 2.9Å; V250-K253 VanDerWaalsContact O-N 3.08Å; V250-C254 WeakPolarHBondContact O-CB 3.43Å; V250-C254 PolarHBondContact O-N 2.96Å; V250-C254 PolarHBondContact O-SG 3.5Å
251	L	74.6	Confident	69.6	Low	107 Å²	107	122.1 Å²	122.1	56%	0.56	64%	0.637	S	S	*	*	H	α-helix	trans	-59.9	-41.8	177.3	-70.6	170.8	0	0	0	111.9	L247 L248 K253 C254 G255	L247-L251 HydrophobicContact CD1-CD1 4.5Å; L247-L251 HydrophobicContact CG-CD1 4.12Å; L247-L251 WeakPolarHBondContact O-CB 3.27Å; L247-L251 WeakPolarHBondContact O-CG 3.43Å; L247-L251 PolarHBondContact O-N 3.23Å; L248-L251 PolarHBondContact O-N 3.22Å; L251-K253 PolarHBondContact O-N 3.36Å; L251-C254 PolarHBondContact O-N 3.38Å; L251-G255 PolarHBondContact O-N 3.24Å
252	N	70.9	Confident	67.2	Low	118 Å²	118	125.7 Å²	125.7	63%	0.631	65%	0.649	S	S	*	*	H	α-helix	trans	-67.1	-31.5	173.9	-100.2	-30.7	0	0	0	113.5	L248 V250	L248-N252 WeakPolarHBondContact O-CB 3.47Å; L248-N252 PolarHBondContact O-N 2.88Å; V250-N252 VanDerWaalsContact C-N 3.35Å; V250-N252 PolarHBondContact O-N 2.86Å
253	K	71.1	Confident	64.5	Low	174 Å²	174	128.2 Å²	128.2	76%	0.757	66%	0.663	S	S	*	*	H	α-helix	trans	-74.3	-38.2	174.4	-115.8	-179.4	177.2	177.8	0	112.4	L249 V250 L251	L249-K253 WeakPolarHBondContact O-CB 3.44Å; L249-K253 PolarHBondContact O-N 2.96Å; V250-K253 PolarHBondContact O-N 2.9Å; V250-K253 VanDerWaalsContact O-N 3.08Å; L251-K253 PolarHBondContact O-N 3.36Å
254	C	58.8	Low	61.6	Low	81 Å²	81	133.4 Å²	133.4	55%	0.547	68%	0.679	S	S	.	*	H	α-helix	trans	-76.3	-40.1	179.3	-70.6	0	0	0	0	112.4	V250 L251 R256 R257	V250-C254 WeakPolarHBondContact O-CB 3.43Å; V250-C254 PolarHBondContact O-N 2.96Å; V250-C254 PolarHBondContact O-SG 3.5Å; L251-C254 PolarHBondContact O-N 3.38Å; C254-R256 PolarHBondContact O-N 3.48Å; C254-R256 VanDerWaalsContact O-N 3.14Å; C254-R257 PolarHBondContact O-N 3.12Å; C254-R257 VanDerWaalsContact O-N 3.12Å
255	G	57.3	Low	59	Low	64 Å²	64	134.2 Å²	134.2	66%	0.66	69%	0.691	S	S	*	*	H	α-helix	trans	-60.9	-22.2	178.1	0	0	0	0	0	114.1	L251 R257	L251-G255 PolarHBondContact O-N 3.24Å; G255-R257 VanDerWaalsContact C-N 3.3Å; G255-R257 PolarHBondContact O-N 3.01Å
256	R	53	Low	56.3	Low	232 Å²	232	135.6 Å²	135.6	88%	0.875	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	0.6	175.7	-86.9	-177.3	166.6	-179.5	-3.1	115.5	C254	C254-R256 PolarHBondContact O-N 3.48Å; C254-R256 VanDerWaalsContact O-N 3.14Å
257	R	51.7	Low	53.6	Low	221 Å²	221	138.3 Å²	138.3	83%	0.834	72%	0.722	S	S	*	*	S	Bend	trans	-117.2	-14	-174.9	-94.5	-175.9	172.6	174.2	-2.2	118.2	C254 G255 K259	C254-R257 PolarHBondContact O-N 3.12Å; C254-R257 VanDerWaalsContact O-N 3.12Å; G255-R257 VanDerWaalsContact C-N 3.3Å; G255-R257 PolarHBondContact O-N 3.01Å; R257-K259 PolarHBondContact O-N 2.93Å
258	N	45.8	Very low	51	Low	148 Å²	148	142.3 Å²	142.3	79%	0.791	74%	0.743	S	S	*	*			trans	-97.6	89.5	-179	-78.3	4	0	0	0	113.1	F260	N258-F260 PolarHBondContact O-N 2.84Å
259	K	48.3	Very low	48.4	Very low	200 Å²	200	141 Å²	141	87%	0.87	75%	0.747	S	S	*	*			trans	-77.1	105.6	151.1	-82.2	-176.7	173.8	-179	0	108.7	R257	R257-K259 PolarHBondContact O-N 2.93Å
260	F	38.3	Very low	46.1	Very low	201 Å²	201	141 Å²	141	88%	0.882	76%	0.755	S	S	*	*			trans	-145.3	113.1	154.1	-102.5	-79.1	0	0	0	109	N258	N258-F260 PolarHBondContact O-N 2.84Å
261	G	42.1	Very low	43.9	Very low	72 Å²	72	144.2 Å²	144.2	74%	0.742	76%	0.764	S	S	*	*			trans	-94.7	141.5	174.7	0	0	0	0	0	110.6
262	I	36.1	Very low	41.9	Very low	155 Å²	155	147.1 Å²	147.1	80%	0.795	78%	0.78	S	S	*	*			trans	-130.9	108	165.7	-62.4	-179.9	0	0	0	106.9
263	N	32	Very low	39.9	Very low	161 Å²	161	145 Å²	145	86%	0.861	79%	0.786	S	S	*	*			trans	-78.4	141.7	170.2	-72.4	-25.1	0	0	0	109.6
264	R	28.5	Very low	38.1	Very low	233 Å²	233	143 Å²	143	88%	0.879	78%	0.784	S	S	*	*			trans	-128.2	136.6	154.5	-85.3	-172.5	170.8	-179.7	-2.1	108.9
265	P	33.4	Very low	36.7	Very low	119 Å²	119	142.5 Å²	142.5	77%	0.773	79%	0.785	S	S	*	*			trans	-77.7	138.8	-176.6	31.4	-34	0	0	0	111.2
266	A	27.4	Very low	35.5	Very low	93 Å²	93	147.4 Å²	147.4	77%	0.769	79%	0.792	S	S	*	*			trans	-82.2	122.3	165.2	0	0	0	0	0	109.1
267	V	27.8	Very low	34.7	Very low	137 Å²	137	139.1 Å²	139.1	83%	0.83	77%	0.77	S	S	*	*			trans	-100.9	104.2	166.2	177.6	0	0	0	0	106.9
268	L	31.9	Very low	33.9	Very low	162 Å²	162	133.2 Å²	133.2	85%	0.848	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-93	118.8	170.6	-73.4	166.6	0	0	0	108.4
269	A	28.1	Very low	33.3	Very low	79 Å²	79	131.7 Å²	131.7	65%	0.653	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-82.9	146.7	157.8	0	0	0	0	0	108.7	E271	A269-E271 PolarHBondContact O-N 2.83Å
270	P	32.4	Very low	32.9	Very low	122 Å²	122	126.7 Å²	126.7	79%	0.792	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-79	118.7	178.4	30	-31	0	0	0	110.8	D272	P270-D272 PolarHBondContact O-N 3.46Å
271	E	32.3	Very low	33	Very low	149 Å²	149	119.3 Å²	119.3	70%	0.696	69%	0.69	S	S	*	*			trans	-97	63.5	175.3	-69.4	-151.3	161.1	0	0	113	A269	A269-E271 PolarHBondContact O-N 2.83Å
272	D	32	Very low	32.6	Very low	168 Å²	168	117.8 Å²	117.8	90%	0.898	67%	0.666	S	S	*	*			trans	-92.4	91.5	161.7	-75	-42.5	0	0	0	109	P270	P270-D272 PolarHBondContact O-N 3.46Å
273	G	30.5	Very low	32.5	Very low	74 Å²	74	113.9 Å²	113.9	76%	0.763	65%	0.647	S	S	*	*	S	Bend	trans	167.9	-20.1	176.8	0	0	0	0	0	117.2
274	L	31.9	Very low	32.3	Very low	133 Å²	133	109.5 Å²	109.5	70%	0.696	64%	0.64	S	S	*	*	S	Bend	trans	-118.7	-0.2	-176.6	-75.6	162.7	0	0	0	114.5	M276 S277	L274-M276 PolarHBondContact O-N 2.82Å; L274-S277 PolarHBondContact O-N 2.91Å
275	A	30.2	Very low	32.2	Very low	69 Å²	69	101.2 Å²	101.2	57%	0.57	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-11	-170.6	0	0	0	0	0	115.9	S277	A275-S277 VanDerWaalsContact C-N 3.35Å; A275-S277 PolarHBondContact O-N 2.92Å
276	M	32.5	Very low	32.1	Very low	167 Å²	167	101.2 Å²	101.2	82%	0.823	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-17.9	-178.6	-68.4	-125.7	67.3	0	0	114.4	L274	L274-M276 PolarHBondContact O-N 2.82Å
277	S	35.4	Very low	32.1	Very low	59 Å²	59	101.2 Å²	101.2	41%	0.413	62%	0.624	S	S	.	*	S	Bend	trans	-98.8	-10.8	-173.5	-148.9	0	0	0	0	115	L274 A275 R461	L274-S277 PolarHBondContact O-N 2.91Å; A275-S277 VanDerWaalsContact C-N 3.35Å; A275-S277 PolarHBondContact O-N 2.92Å; S277-R461 PolarHBondContact O-NH1 3.31Å; S277-R461 PolarHBondContact OG-NH2 2.98Å
278	L	34.7	Very low	32	Very low	97 Å²	97	102.3 Å²	102.3	51%	0.508	62%	0.624	S	S	.	*	S	Bend	trans	-85.5	-18.4	178	-86.7	166.1	0	0	0	113.9	F280	L278-F280 VanDerWaalsContact C-N 3.29Å; L278-F280 PolarHBondContact O-N 3.34Å
279	H	34.3	Very low	31.8	Very low	116 Å²	116	99.2 Å²	99.2	54%	0.537	62%	0.616	S	S	.	*	G	3₁₀ helix	trans	-71.1	-21.5	-179.6	-107.3	-78	0	0	0	114.1	M281	H279-M281 PolarHBondContact O-N 2.88Å
280	F	39.7	Very low	32	Very low	94 Å²	94	101.6 Å²	101.6	41%	0.412	63%	0.625	S	S	.	*	G	3₁₀ helix	trans	-65.6	-12.6	-171.3	-127.5	-83	0	0	0	115.4	L278 L375	L278-F280 VanDerWaalsContact C-N 3.29Å; L278-F280 PolarHBondContact O-N 3.34Å; F280-L375 HydrophobicContact CE1-CD1 3.62Å; F280-L375 HydrophobicContact CE2-CD1 4.11Å; F280-L375 HydrophobicContact CZ-CD1 3.27Å; F280-L375 HydrophobicContact CZ-CG 4.46Å
281	M	38.9	Very low	31.9	Very low	47 Å²	47	101.9 Å²	101.9	23%	0.232	63%	0.625	C	S	.	*	G	3₁₀ helix	trans	-134.9	8.9	-175.4	-65.3	-167.5	144.6	0	0	114.6	H279 H460 R461	H279-M281 PolarHBondContact O-N 2.88Å; M281-H460 WeakPolarHBondContact CE-O 3.21Å; M281-R461 HydrophobicContact SD-CB 3.92Å
282	T	34.1	Very low	32	Very low	40 Å²	40	104.5 Å²	104.5	25%	0.245	64%	0.637	C	S	.	*			trans	-142.6	80.7	179.3	-56.7	0	0	0	0	111.6
283	L	33.8	Very low	32	Very low	73 Å²	73	100 Å²	100	38%	0.382	63%	0.63	S	S	.	*			trans	-108.6	119.7	162.6	-69	158.8	0	0	0	107.7	F333 D368	L283-F333 HydrophobicContact CB-CE1 4.47Å; L283-D368 HydrophobicContact CD1-CB 3.71Å; L283-D368 VanDerWaalsContact CD1-CG 3.44Å; L283-D368 WeakPolarHBondContact CD1-OD2 3.33Å; L283-D368 WeakPolarHBondContact CD2-OD2 3.03Å
284	G	28.8	Very low	32.2	Very low	69 Å²	69	107.2 Å²	107.2	71%	0.711	64%	0.64	S	S	*	*			cis	-154.4	162.5	-8.5	0	0	0	0	0	112.3
285	G	26.7	Very low	32.1	Very low	59 Å²	59	104.5 Å²	104.5	61%	0.608	65%	0.645	S	S	*	*			trans	-110.2	120	169	0	0	0	0	0	109.9
286	S	30.7	Very low	32.2	Very low	118 Å²	118	107.4 Å²	107.4	83%	0.825	66%	0.661	S	S	*	*			trans	-64.5	137.1	-175.4	-34.6	0	0	0	0	112.9
287	S	27	Very low	32.4	Very low	94 Å²	94	102.6 Å²	102.6	66%	0.657	65%	0.654	S	S	*	*			trans	-172.6	130	141	-91.5	0	0	0	0	116
288	L	26.7	Very low	32.3	Very low	160 Å²	160	108.1 Å²	108.1	84%	0.838	68%	0.678	S	S	*	*			trans	74.5	115.4	137.3	-62.4	167	0	0	0	120.3
289	S	27.4	Very low	32.5	Very low	96 Å²	96	113.1 Å²	113.1	67%	0.671	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-63.1	142.1	159.1	51.4	0	0	0	0	112.8
290	P	31.3	Very low	32.6	Very low	129 Å²	129	110.2 Å²	110.2	84%	0.838	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-77.4	121.2	162.8	30.1	-28.2	0	0	0	110
291	T	31.1	Very low	32.6	Very low	129 Å²	129	114.8 Å²	114.8	79%	0.791	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-66.6	145.4	167.4	44.9	0	0	0	0	111	G293	T291-G293 PolarHBondContact O-N 2.88Å
292	E	34.6	Very low	32.7	Very low	203 Å²	203	119.8 Å²	119.8	95%	0.949	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-54.7	132.4	176.1	-62.6	-176.1	127.7	0	0	112.7
293	G	30.6	Very low	33.1	Very low	74 Å²	74	125.1 Å²	125.1	76%	0.763	77%	0.774	S	S	*	*			trans	-145.5	111.3	172.2	0	0	0	0	0	110.2	T291 G295	T291-G293 PolarHBondContact O-N 2.88Å; G293-G295 PolarHBondContact O-N 3.38Å
294	K	36.1	Very low	33.8	Very low	225 Å²	225	129.6 Å²	129.6	98%	0.978	79%	0.793	S	S	*	*			trans	-63	125.8	-178.6	-73.5	174.2	175.4	172.5	0	111.6
295	G	28.5	Very low	34.7	Very low	77 Å²	77	133.4 Å²	133.4	79%	0.794	80%	0.797	S	S	*	*			trans	-142.1	122.2	165.6	0	0	0	0	0	109.7	G293	G293-G295 PolarHBondContact O-N 3.38Å
296	S	32.5	Very low	36.1	Very low	130 Å²	130	134.3 Å²	134.3	91%	0.909	79%	0.792	S	S	*	*			trans	-96.1	142	-177	-172.5	0	0	0	0	111.6
297	G	37.5	Very low	37.1	Very low	66 Å²	66	135.9 Å²	135.9	68%	0.68	79%	0.787	S	S	*	*			trans	85.3	89.9	152.3	0	0	0	0	0	117.4
298	L	32.9	Very low	38.4	Very low	175 Å²	175	141.1 Å²	141.1	92%	0.916	79%	0.794	S	S	*	*			trans	-170	104.9	135.4	-104.3	156.8	0	0	0	108.4	G300	L298-G300 PolarHBondContact O-N 2.85Å
299	Q	40	Very low	39.4	Very low	201 Å²	201	142 Å²	142	94%	0.939	79%	0.791	S	S	*	*			trans	-82.1	73.2	-178.4	-165.9	157.5	4.7	0	0	110
300	G	36.4	Very low	40.5	Very low	55 Å²	55	140.7 Å²	140.7	57%	0.567	78%	0.782	S	S	*	*			trans	-64.2	137.1	167.5	0	0	0	0	0	109.9	L298 I302	L298-G300 PolarHBondContact O-N 2.85Å; G300-I302 PolarHBondContact O-N 2.92Å
301	H	39.5	Very low	41.7	Very low	190 Å²	190	142.5 Å²	142.5	88%	0.88	79%	0.785	S	S	*	*			trans	-59	107.8	167.6	-92.6	-88.7	0	0	0	108.6	I303	H301-I303 PolarHBondContact O-N 2.94Å
302	I	40.6	Very low	43.3	Very low	152 Å²	152	137.6 Å²	137.6	78%	0.779	76%	0.757	S	S	*	*			trans	-67.9	103.4	168.4	-59.6	174.6	0	0	0	105.9	G300 E304	G300-I302 PolarHBondContact O-N 2.92Å; I302-E304 PolarHBondContact O-N 3.5Å
303	I	41.4	Very low	45.5	Very low	153 Å²	153	133.5 Å²	133.5	79%	0.785	75%	0.75	S	S	*	*			trans	-70.4	108.4	163.5	-60.9	174.5	0	0	0	104.8	H301 N305	H301-I303 PolarHBondContact O-N 2.94Å; I303-N305 PolarHBondContact O-N 3.2Å
304	E	48.7	Very low	48.1	Very low	166 Å²	166	130.6 Å²	130.6	78%	0.776	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-58.9	137.3	174.4	-67.3	-173.4	154.1	0	0	109.3	I302	I302-E304 PolarHBondContact O-N 3.5Å
305	N	49.1	Very low	50.8	Low	150 Å²	150	124.4 Å²	124.4	80%	0.802	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-58.8	134.2	-180	-111.2	-4.4	0	0	0	109.4	I303 Q307	I303-N305 PolarHBondContact O-N 3.2Å; N305-Q307 PolarHBondContact O-N 3.05Å
306	P	55.2	Low	53.8	Low	77 Å²	77	125.6 Å²	125.6	50%	0.5	68%	0.676	S	S	.	*	P	Polyproline II helix	trans	-54.3	124.5	176.8	-25.2	33.4	0	0	0	111	Y308	P306-Y308 HydrophobicContact CB-CE2 4.06Å; P306-Y308 VanDerWaalsContact O-CD2 3.26Å; P306-Y308 WeakPolarHBondContact O-CD2 3.49Å; P306-Y308 PolarHBondContact O-N 2.77Å; P306-Y308 VanDerWaalsContact O-N 3.14Å
307	Q	51.8	Low	56.7	Low	152 Å²	152	120 Å²	120	71%	0.71	64%	0.636	S	S	*	*			trans	-75.9	101	170.3	-68.1	-173.8	3.8	0	0	108.2	N305 F309	N305-Q307 PolarHBondContact O-N 3.05Å; Q307-F309 HydrophobicContact CB-CE2 4.13Å; Q307-F309 HydrophobicContact CB-CZ 4.28Å; Q307-F309 WeakPolarHBondContact O-CD2 3.48Å; Q307-F309 PolarHBondContact O-N 2.89Å
308	Y	54.8	Low	59	Low	204 Å²	204	122.1 Å²	122.1	80%	0.8	63%	0.626	S	S	*	*			trans	-75.7	103.4	171.7	-61	-82.7	0	0	0	108.7	P306 S310	P306-Y308 HydrophobicContact CB-CE2 4.06Å; P306-Y308 VanDerWaalsContact O-CD2 3.26Å; P306-Y308 WeakPolarHBondContact O-CD2 3.49Å; P306-Y308 PolarHBondContact O-N 2.77Å; P306-Y308 VanDerWaalsContact O-N 3.14Å; Y308-S310 PolarHBondContact O-N 3.04Å; Y308-S310 VanDerWaalsContact O-N 3.08Å
309	F	47.5	Very low	61.5	Low	178 Å²	178	115.9 Å²	115.9	78%	0.781	59%	0.591	S	S	*	*			trans	-71.6	100.5	172	-65.5	-83	0	0	0	109.2	Q307	Q307-F309 HydrophobicContact CB-CE2 4.13Å; Q307-F309 HydrophobicContact CB-CZ 4.28Å; Q307-F309 WeakPolarHBondContact O-CD2 3.48Å; Q307-F309 PolarHBondContact O-N 2.89Å
310	S	50.7	Low	63.5	Low	69 Å²	69	113.6 Å²	113.6	48%	0.483	57%	0.573	S	S	.	*			trans	-80.6	109.5	170.7	-179.6	0	0	0	0	108.5	Y308 A312 E374	Y308-S310 PolarHBondContact O-N 3.04Å; Y308-S310 VanDerWaalsContact O-N 3.08Å; S310-A312 PolarHBondContact O-N 3.4Å; S310-E374 WeakPolarHBondContact CB-OE2 3.41Å; S310-E374 PolarHBondContact OG-OE2 3.1Å
311	D	55.7	Low	65.8	Low	167 Å²	167	112 Å²	112	89%	0.893	55%	0.552	S	S	*	*			trans	-89.4	29.3	-171.9	-142.7	19.1	0	0	0	112.5	C313	D311-C313 PolarHBondContact O-N 3.28Å
312	A	64.5	Low	68	Low	26 Å²	26	103.2 Å²	103.2	22%	0.215	51%	0.511	C	S	.	.			trans	-71.8	108.6	173.9	0	0	0	0	0	109	S310 V314 E374	S310-A312 PolarHBondContact O-N 3.4Å; A312-V314 PolarHBondContact O-N 3.47Å; A312-E374 HydrophobicContact CB-CB 4.07Å; A312-E374 HydrophobicContact CB-CG 4.06Å
313	C	80.6	Confident	70	Confident	117 Å²	117	98.7 Å²	98.7	79%	0.791	49%	0.491	S	S	*	.			trans	-71.1	73	179.4	-175.9	0	0	0	0	111.5	D311 H315	D311-C313 PolarHBondContact O-N 3.28Å; C313-H315 PolarHBondContact O-N 2.86Å
314	V	86.9	Confident	71.9	Confident	13 Å²	13	92.8 Å²	92.8	8%	0.079	46%	0.46	C	S	.	.			trans	-59.3	121.8	174.9	179.5	0	0	0	0	108.9	A312 H316 A373 E374 V390	A312-V314 PolarHBondContact O-N 3.47Å; V314-H316 PolarHBondContact O-CD2 2.96Å; V314-H316 VanDerWaalsContact O-CD2 3.31Å; V314-H316 PolarHBondContact O-N 2.72Å; V314-A373 HydrophobicContact CG1-CB 4.16Å; V314-A373 HydrophobicContact CG2-CB 4.49Å; V314-E374 HydrophobicContact CG2-CB 4.42Å; V314-E374 HydrophobicContact CG2-CG 3.73Å; V314-V390 HydrophobicContact CG1-CG1 4.1Å; V314-V390 HydrophobicContact CG1-CG2 3.78Å
315	H	92.3	Very high	73.3	Confident	95 Å²	95	86 Å²	86	44%	0.44	43%	0.428	S	S	.	.			trans	-74	123.3	180	-179.7	-132.1	0	0	0	110.4	C313 F388 G389 V390	C313-H315 PolarHBondContact O-N 2.86Å; H315-F388 WeakPolarHBondContact CB-O 3.4Å; H315-F388 PolarHBondContact ND1-O 2.87Å; H315-G389 CarbonylContact O-C 3.6Å; H315-G389 WeakPolarHBondContact O-CA 3.43Å; H315-V390 PolarHBondContact O-N 3.45Å
316	H	92.1	Very high	74.4	Confident	101 Å²	101	79.6 Å²	79.6	47%	0.468	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-96.5	113	177.3	-78	-95.4	0	0	0	111	V314 V390 T392	V314-H316 PolarHBondContact O-CD2 2.96Å; V314-H316 VanDerWaalsContact O-CD2 3.31Å; V314-H316 PolarHBondContact O-N 2.72Å; H316-V390 CarbonylContact C-O 3.55Å; H316-V390 WeakPolarHBondContact CA-O 3.31Å; H316-T392 PolarHBondContact CE1-OG1 3.42Å; H316-T392 PolarHBondContact ND1-OG1 3.2Å
317	I	92.7	Very high	75.5	Confident	13 Å²	13	77.8 Å²	77.8	7%	0.067	38%	0.378	C	S	.	.			trans	-93.2	133.8	177.9	-56.9	163	0	0	0	107.9	I322 L344 F388 V390 C391 V400	I317-I322 HydrophobicContact CB-CD1 4.37Å; I317-I322 HydrophobicContact CG2-CD1 3.8Å; I317-I322 HydrophobicContact CG2-CG1 3.76Å; I317-L344 HydrophobicContact CD1-CD1 3.59Å; I317-L344 HydrophobicContact CG1-CD1 3.9Å; I317-F388 HydrophobicContact CD1-CB 4.33Å; I317-V390 PolarHBondContact N-O 3.35Å; I317-C391 WeakPolarHBondContact O-CA 3.4Å; I317-C391 VanDerWaalsContact O-CB 3.29Å; I317-C391 WeakPolarHBondContact O-CB 3.22Å; I317-V400 HydrophobicContact CD1-CB 3.62Å; I317-V400 HydrophobicContact CD1-CG1 4.06Å; I317-V400 HydrophobicContact CD1-CG2 3.62Å
318	K	85.6	Confident	76.7	Confident	111 Å²	111	73 Å²	73	48%	0.483	36%	0.357	S	S	.	.			trans	-75.8	144.7	-177.8	-54.5	169.4	-177.6	162.9	0	110.2	R320 D321	K318-R320 HydrophobicContact CB-CG 4.15Å; K318-R320 PolarHBondContact O-N 3.41Å; K318-D321 WeakPolarHBondContact CB-OD2 3.47Å; K318-D321 PolarHBondContact O-N 3.43Å
319	R	84.9	Confident	77.5	Confident	44 Å²	44	64.4 Å²	64.4	17%	0.166	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-57	-38.8	-176.7	179.8	64.9	-169.2	95.7	7.3	112.3	E151 D321 I322 C391 E393	E151-R319 IonicContact OE1-CZ 3.19Å; E151-R319 IonicContact OE1-NE 2.7Å; E151-R319 IonicContact OE1-NH2 2.8Å; E151-R319 PolarHBondContact OE1-NH2 3.27Å; E151-R319 IonicContact OE2-NH2 2.71Å; R319-D321 VanDerWaalsContact C-N 3.3Å; R319-D321 PolarHBondContact O-N 3.45Å; R319-I322 PolarHBondContact NH1-O 3.01Å; R319-I322 PolarHBondContact O-N 2.92Å; R319-C391 VanDerWaalsContact CA-SG 3.6Å; R319-E393 HydrophobicContact CB-CB 4.09Å; R319-E393 HydrophobicContact CB-CG 4.02Å; R319-E393 WeakPolarHBondContact CB-OE2 3.38Å; R319-E393 PolarHBondContact N-OE2 2.84Å
320	R	81.9	Confident	78.7	Confident	153 Å²	153	59 Å²	59	58%	0.577	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-65.5	-25.4	-179.7	73.1	-169.5	-171	-177.2	10.3	114.8	K318 I322	K318-R320 HydrophobicContact CB-CG 4.15Å; K318-R320 PolarHBondContact O-N 3.41Å; R320-I322 VanDerWaalsContact C-N 3.27Å
321	D	86.3	Confident	79.3	Confident	22 Å²	22	55.8 Å²	55.8	12%	0.118	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-80.6	-13.2	179.2	-66.8	-53.6	0	0	0	111.1	K318 R319 C341 H342 N343	K318-D321 WeakPolarHBondContact CB-OD2 3.47Å; K318-D321 PolarHBondContact O-N 3.43Å; R319-D321 VanDerWaalsContact C-N 3.3Å; R319-D321 PolarHBondContact O-N 3.45Å; D321-C341 CarbonylContact O-C 3.38Å; D321-C341 VanDerWaalsContact O-CA 3.29Å; D321-C341 WeakPolarHBondContact O-CA 3.27Å; D321-H342 HydrophobicContact CB-CB 4.4Å; D321-H342 PolarHBondContact O-N 2.88Å; D321-H342 PolarHBondContact O-ND1 3.43Å; D321-N343 PolarHBondContact OD1-ND2 3.3Å
322	I	85.6	Confident	79.6	Confident	5 Å²	5	50.3 Å²	50.3	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	104.4	-178.1	-55.1	169.8	0	0	0	111	I317 R319 R320 L324 A339 V355 C391 L398 V400	I317-I322 HydrophobicContact CB-CD1 4.37Å; I317-I322 HydrophobicContact CG2-CD1 3.8Å; I317-I322 HydrophobicContact CG2-CG1 3.76Å; R319-I322 PolarHBondContact NH1-O 3.01Å; R319-I322 PolarHBondContact O-N 2.92Å; R320-I322 VanDerWaalsContact C-N 3.27Å; I322-L324 HydrophobicContact CG2-CD2 3.98Å; I322-A339 HydrophobicContact CG2-CB 4.12Å; I322-V355 HydrophobicContact CG2-CG1 4.46Å; I322-V355 HydrophobicContact CG2-CG2 3.92Å; I322-C391 HydrophobicContact CD1-CB 3.66Å; I322-L398 HydrophobicContact CD1-CD1 3.95Å; I322-L398 HydrophobicContact CG2-CD1 4.44Å; I322-V400 HydrophobicContact CD1-CG2 3.82Å
323	V	83.1	Confident	79.6	Confident	57 Å²	57	51.6 Å²	51.6	35%	0.345	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	98.2	175.5	-175.3	0	0	0	0	109.2	A339 E340	V323-A339 CarbonylContact O-C 3.56Å; V323-A339 WeakPolarHBondContact O-CA 3.43Å; V323-A339 VanDerWaalsContact O-CB 3.25Å; V323-A339 WeakPolarHBondContact O-CB 3.41Å; V323-E340 PolarHBondContact N-O 2.98Å; V323-E340 PolarHBondContact O-N 3.22Å
324	L	80.5	Confident	79.3	Confident	29 Å²	29	46.2 Å²	46.2	15%	0.152	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	138.5	175.9	-58.2	-178.2	0	0	0	110.1	I322 F337 A339 V355	I322-L324 HydrophobicContact CG2-CD2 3.98Å; L324-F337 HydrophobicContact CD2-CB 4.1Å; L324-F337 HydrophobicContact CD2-CG 4.42Å; L324-A339 HydrophobicContact CD2-CB 4.07Å; L324-V355 HydrophobicContact CD2-CB 3.99Å; L324-V355 HydrophobicContact CD2-CG1 3.93Å; L324-V355 HydrophobicContact CD2-CG2 4.23Å
325	K	78.8	Confident	79	Confident	23 Å²	23	48.4 Å²	48.4	10%	0.1	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-68.1	179.9	-68.2	-172.5	153.1	-176.8	0	112.6	L338 E340 L352	K325-L338 WeakPolarHBondContact CA-O 3.4Å; K325-L338 WeakPolarHBondContact CB-O 3.33Å; K325-L338 HydrophobicContact CD-CD2 4.37Å; K325-L338 PolarHBondContact N-O 2.9Å; K325-E340 HydrophobicContact CD-CG 4.37Å; K325-E340 VanDerWaalsContact CE-OE1 3.29Å; K325-E340 WeakPolarHBondContact CE-OE1 3.42Å; K325-E340 IonicContact NZ-OE1 2.74Å; K325-E340 PolarHBondContact NZ-OE1 3.46Å; K325-L352 HydrophobicContact CD-CD2 4.47Å
326	W	70.4	Confident	78.7	Confident	16 Å²	16	44 Å²	44	6%	0.061	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	158.2	-179.5	59.3	82.7	0	0	0	112.3	V106 P114 F337 L338	V106-W326 HydrophobicContact CB-CH2 4.36Å; V106-W326 HydrophobicContact CB-CZ2 3.91Å; V106-W326 HydrophobicContact CG1-CZ2 3.97Å; V106-W326 HydrophobicContact CG2-CH2 3.5Å; V106-W326 HydrophobicContact CG2-CZ2 3.5Å; V106-W326 VanDerWaalsContact CG2-CZ2 3.5Å; P114-W326 HydrophobicContact CB-CD2 4.49Å; P114-W326 HydrophobicContact CB-CE3 3.47Å; P114-W326 VanDerWaalsContact CB-CE3 3.47Å; P114-W326 HydrophobicContact CB-CZ3 3.71Å; P114-W326 HydrophobicContact CG-CD2 4.24Å; P114-W326 HydrophobicContact CG-CE3 3.38Å; P114-W326 HydrophobicContact CG-CH2 4.04Å; P114-W326 HydrophobicContact CG-CZ3 3.27Å; W326-F337 CarbonylContact O-C 3.4Å; W326-F337 WeakPolarHBondContact O-CA 3.26Å; W326-L338 HydrophobicContact CD2-CB 4.48Å; W326-L338 HydrophobicContact CD2-CD2 4.33Å; W326-L338 HydrophobicContact CH2-CD2 3.51Å; W326-L338 HydrophobicContact CZ2-CD2 3.13Å; W326-L338 HydrophobicContact CZ2-CG 4.41Å; W326-L338 HydrophobicContact CZ3-CD2 4.24Å; W326-L338 PolarHBondContact N-O 2.98Å; W326-L338 PolarHBondContact O-N 2.74Å
327	E	79.4	Confident	78.3	Confident	39 Å²	39	40.1 Å²	40.1	18%	0.182	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	127.8	178.8	-164.4	175.3	130.1	0	0	111.1	K335 F337	E327-K335 VanDerWaalsContact CD-NZ 3.32Å; E327-K335 IonicContact OE1-NZ 3.18Å; E327-K335 PolarHBondContact OE1-NZ 3.38Å; E327-K335 VanDerWaalsContact OE2-CD 3.3Å; E327-K335 WeakPolarHBondContact OE2-CD 3.37Å; E327-K335 WeakPolarHBondContact OE2-CE 3.11Å; E327-K335 IonicContact OE2-NZ 3.36Å; E327-K335 PolarHBondContact OE2-NZ 3.49Å; E327-F337 HydrophobicContact CB-CD1 4.06Å; E327-F337 HydrophobicContact CB-CE1 3.91Å; E327-F337 HydrophobicContact CG-CE1 4.23Å
328	L	76.3	Confident	78.1	Confident	51 Å²	51	39.6 Å²	39.6	27%	0.267	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-31.4	172.4	-64.9	173.6	0	0	0	111.3	M108 V336 L338 Y403	M108-L328 HydrophobicContact CE-CD2 4.48Å; L328-V336 PolarHBondContact N-O 3.3Å; L328-L338 HydrophobicContact CD1-CB 4.2Å; L328-L338 HydrophobicContact CD2-CB 4.22Å; L328-L338 HydrophobicContact CG-CB 4.2Å; L328-Y403 HydrophobicContact CD1-CD2 4.26Å; L328-Y403 HydrophobicContact CD1-CE2 4.16Å; L328-Y403 HydrophobicContact CD2-CE2 4.38Å
329	G	72.5	Confident	78.1	Confident	23 Å²	23	34.3 Å²	34.3	24%	0.237	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.9	168.1	173.2	0	0	0	0	0	113.3	V336	G329-V336 PolarHBondContact N-O 2.84Å; G329-V336 PolarHBondContact O-N 3.36Å
330	E	71.6	Confident	78.3	Confident	66 Å²	66	33.9 Å²	33.9	31%	0.308	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135	177.1	-174.8	169	164.3	0	0	110.7	K335 K359 M483	E330-K335 HydrophobicContact CB-CG 4.12Å; E330-K335 HydrophobicContact CG-CG 3.83Å; E330-K335 WeakPolarHBondContact OE2-CE 3.46Å; E330-K335 IonicContact OE2-NZ 3.7Å; E330-K335 PolarHBondContact OE2-NZ 3.45Å; E330-K359 WeakPolarHBondContact OE1-CE 3.46Å; E330-K359 IonicContact OE1-NZ 3.51Å; E330-K359 PolarHBondContact OE1-NZ 2.8Å; E330-M483 CarbonylContact C-O 3.6Å
331	G	64.5	Low	78.7	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	-178	177	0	0	0	0	0	113.3	F333 G334 G482	G331-F333 PolarHBondContact O-N 2.8Å; G331-F333 VanDerWaalsContact O-N 3.1Å; G331-G334 PolarHBondContact N-O 3.46Å; G331-G334 PolarHBondContact O-N 3.48Å; G331-G482 VanDerWaalsContact CA-O 3.29Å; G331-G482 WeakPolarHBondContact CA-O 3.45Å
332	A	61.5	Low	78.8	Confident	51 Å²	51	28.3 Å²	28.3	42%	0.421	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.8	-177.6	0	0	0	0	0	113.3	G482	A332-G482 PolarHBondContact N-O 3.01Å
333	F	63.7	Low	79	Confident	53 Å²	53	33.8 Å²	33.8	23%	0.232	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-7.8	-174.9	-54.7	-71.2	0	0	0	114.1	L283 G331 L358 K359	L283-F333 HydrophobicContact CB-CE1 4.47Å; G331-F333 PolarHBondContact O-N 2.8Å; G331-F333 VanDerWaalsContact O-N 3.1Å; F333-L358 WeakPolarHBondContact O-CA 3.31Å; F333-K359 PolarHBondContact O-N 2.89Å
334	G	74.7	Confident	79.3	Confident	4 Å²	4	31.9 Å²	31.9	4%	0.041	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.1	-175.2	-175.3	0	0	0	0	0	114.2	G331 A357	G331-G334 PolarHBondContact N-O 3.46Å; G331-G334 PolarHBondContact O-N 3.48Å; G334-A357 CarbonylContact C-O 3.51Å; G334-A357 VanDerWaalsContact CA-O 3.26Å; G334-A357 WeakPolarHBondContact CA-O 3.3Å
335	K	81.4	Confident	79.6	Confident	59 Å²	59	32.7 Å²	32.7	26%	0.257	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	147.6	176.6	-72.9	172.8	172.3	-71.2	0	109.6	E327 E330 F337 A357	E327-K335 VanDerWaalsContact CD-NZ 3.32Å; E327-K335 IonicContact OE1-NZ 3.18Å; E327-K335 PolarHBondContact OE1-NZ 3.38Å; E327-K335 VanDerWaalsContact OE2-CD 3.3Å; E327-K335 WeakPolarHBondContact OE2-CD 3.37Å; E327-K335 WeakPolarHBondContact OE2-CE 3.11Å; E327-K335 IonicContact OE2-NZ 3.36Å; E327-K335 PolarHBondContact OE2-NZ 3.49Å; E330-K335 HydrophobicContact CB-CG 4.12Å; E330-K335 HydrophobicContact CG-CG 3.83Å; E330-K335 WeakPolarHBondContact OE2-CE 3.46Å; E330-K335 IonicContact OE2-NZ 3.7Å; E330-K335 PolarHBondContact OE2-NZ 3.45Å; K335-F337 HydrophobicContact CB-CD2 4.45Å; K335-F337 HydrophobicContact CB-CE2 3.59Å; K335-F337 HydrophobicContact CB-CZ 3.77Å; K335-F337 HydrophobicContact CD-CZ 3.98Å; K335-A357 PolarHBondContact N-O 3.33Å; K335-A357 PolarHBondContact O-N 3.1Å
336	V	85.9	Confident	79.6	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.2	175.2	-175.3	0	0	0	0	109.9	L328 G329 A354 V355 K356 M483	L328-V336 PolarHBondContact N-O 3.3Å; G329-V336 PolarHBondContact N-O 2.84Å; G329-V336 PolarHBondContact O-N 3.36Å; V336-A354 HydrophobicContact CG1-CB 4.37Å; V336-V355 WeakPolarHBondContact CA-O 3.44Å; V336-K356 HydrophobicContact CG2-CB 3.89Å; V336-K356 HydrophobicContact CG2-CG 4.06Å; V336-M483 HydrophobicContact CB-CG 4.23Å; V336-M483 HydrophobicContact CB-SD 3.73Å; V336-M483 HydrophobicContact CG1-SD 3.72Å; V336-M483 HydrophobicContact CG2-CG 3.44Å; V336-M483 VanDerWaalsContact CG2-CG 3.44Å; V336-M483 HydrophobicContact CG2-SD 3.47Å; V336-M483 WeakPolarHBondContact CG2-SD 3.11Å
337	F	84	Confident	80.1	Confident	20 Å²	20	46.7 Å²	46.7	9%	0.088	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	147.9	-174.9	-61.4	-86.9	0	0	0	110.7	L145 L324 W326 E327 K335 A354 V355 A357	L145-F337 HydrophobicContact CD1-CD1 4.37Å; L145-F337 HydrophobicContact CD1-CE1 4.18Å; L145-F337 HydrophobicContact CD2-CE1 4.08Å; L324-F337 HydrophobicContact CD2-CB 4.1Å; L324-F337 HydrophobicContact CD2-CG 4.42Å; W326-F337 CarbonylContact O-C 3.4Å; W326-F337 WeakPolarHBondContact O-CA 3.26Å; E327-F337 HydrophobicContact CB-CD1 4.06Å; E327-F337 HydrophobicContact CB-CE1 3.91Å; E327-F337 HydrophobicContact CG-CE1 4.23Å; K335-F337 HydrophobicContact CB-CD2 4.45Å; K335-F337 HydrophobicContact CB-CE2 3.59Å; K335-F337 HydrophobicContact CB-CZ 3.77Å; K335-F337 HydrophobicContact CD-CZ 3.98Å; F337-A354 CarbonylContact O-C 3.46Å; F337-A354 WeakPolarHBondContact O-CA 3.44Å; F337-V355 PolarHBondContact N-O 3.09Å; F337-V355 PolarHBondContact O-N 2.87Å; F337-A357 HydrophobicContact CD2-CB 4.19Å; F337-A357 HydrophobicContact CE2-CB 3.91Å
338	L	86.8	Confident	80.1	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	138.7	152.7	-173.2	71.8	0	0	0	107.8	K325 W326 L328 L352 Y403	K325-L338 WeakPolarHBondContact CA-O 3.4Å; K325-L338 WeakPolarHBondContact CB-O 3.33Å; K325-L338 HydrophobicContact CD-CD2 4.37Å; K325-L338 PolarHBondContact N-O 2.9Å; W326-L338 HydrophobicContact CD2-CB 4.48Å; W326-L338 HydrophobicContact CD2-CD2 4.33Å; W326-L338 HydrophobicContact CH2-CD2 3.51Å; W326-L338 HydrophobicContact CZ2-CD2 3.13Å; W326-L338 HydrophobicContact CZ2-CG 4.41Å; W326-L338 HydrophobicContact CZ3-CD2 4.24Å; W326-L338 PolarHBondContact N-O 2.98Å; W326-L338 PolarHBondContact O-N 2.74Å; L328-L338 HydrophobicContact CD1-CB 4.2Å; L328-L338 HydrophobicContact CD2-CB 4.22Å; L328-L338 HydrophobicContact CG-CB 4.2Å; L338-L352 HydrophobicContact CD1-CB 4.3Å; L338-L352 HydrophobicContact CD1-CD2 4.33Å; L338-L352 HydrophobicContact CD2-CD2 4.16Å; L338-L352 HydrophobicContact CG-CD2 4.28Å; L338-Y403 HydrophobicContact CD1-CD1 3.66Å; L338-Y403 HydrophobicContact CD1-CD2 3.44Å; L338-Y403 VanDerWaalsContact CD1-CD2 3.44Å; L338-Y403 HydrophobicContact CD1-CE1 3.9Å; L338-Y403 HydrophobicContact CD1-CE2 3.73Å; L338-Y403 HydrophobicContact CD1-CG 3.41Å; L338-Y403 VanDerWaalsContact CD1-CG 3.41Å
339	A	86.8	Confident	80.3	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	159.6	171.1	0	0	0	0	0	111.1	I322 V323 L324 L352 V353 V355	I322-A339 HydrophobicContact CG2-CB 4.12Å; V323-A339 CarbonylContact O-C 3.56Å; V323-A339 WeakPolarHBondContact O-CA 3.43Å; V323-A339 VanDerWaalsContact O-CB 3.25Å; V323-A339 WeakPolarHBondContact O-CB 3.41Å; L324-A339 HydrophobicContact CD2-CB 4.07Å; A339-L352 WeakPolarHBondContact O-CA 3.3Å; A339-V353 HydrophobicContact CB-CG2 3.92Å; A339-V353 PolarHBondContact N-O 3.48Å; A339-V353 PolarHBondContact O-N 2.92Å; A339-V355 HydrophobicContact CB-CB 4.48Å; A339-V355 HydrophobicContact CB-CG2 3.5Å
340	E	88.3	Confident	80.9	Confident	34 Å²	34	57.8 Å²	57.8	16%	0.159	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	131.2	155.7	-81.4	179	-164.2	0	0	108.6	V323 K325 K350 M351 L352	V323-E340 PolarHBondContact N-O 2.98Å; V323-E340 PolarHBondContact O-N 3.22Å; K325-E340 HydrophobicContact CD-CG 4.37Å; K325-E340 VanDerWaalsContact CE-OE1 3.29Å; K325-E340 WeakPolarHBondContact CE-OE1 3.42Å; K325-E340 IonicContact NZ-OE1 2.74Å; K325-E340 PolarHBondContact NZ-OE1 3.46Å; E340-K350 IonicContact OE1-NZ 2.72Å; E340-K350 PolarHBondContact OE1-NZ 3.22Å; E340-K350 WeakPolarHBondContact OE2-CD 3.49Å; E340-K350 WeakPolarHBondContact OE2-CE 3.41Å; E340-K350 IonicContact OE2-NZ 3.58Å; E340-K350 PolarHBondContact OE2-NZ 3.43Å; E340-M351 WeakPolarHBondContact CA-O 3.3Å; E340-L352 HydrophobicContact CG-CD2 3.76Å
341	C	91	Very high	81.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126	173.1	-166.8	0	0	0	0	110.2	D321 L344 K350 M351 V353	D321-C341 CarbonylContact O-C 3.38Å; D321-C341 VanDerWaalsContact O-CA 3.29Å; D321-C341 WeakPolarHBondContact O-CA 3.27Å; C341-L344 HydrophobicContact CB-CB 4.42Å; C341-L344 HydrophobicContact CB-CD2 3.94Å; C341-K350 CarbonylContact O-C 3.56Å; C341-K350 VanDerWaalsContact O-CA 3.29Å; C341-K350 WeakPolarHBondContact O-CA 3.47Å; C341-M351 PolarHBondContact N-O 2.91Å; C341-M351 PolarHBondContact O-N 3.02Å; C341-V353 HydrophobicContact CB-CG1 3.95Å; C341-V353 HydrophobicContact CB-CG2 3.68Å
342	H	88.4	Confident	82.9	Confident	59 Å²	59	59.7 Å²	59.7	27%	0.273	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	154.9	179.7	-61.4	79.8	0	0	0	110.7	D321 L344 D349	D321-H342 HydrophobicContact CB-CB 4.4Å; D321-H342 PolarHBondContact O-N 2.88Å; D321-H342 PolarHBondContact O-ND1 3.43Å; H342-L344 PolarHBondContact O-N 2.87Å; H342-D349 VanDerWaalsContact CA-O 3.28Å; H342-D349 WeakPolarHBondContact CA-O 3.4Å
343	N	89.1	Confident	84.5	Confident	120 Å²	120	57.2 Å²	57.2	64%	0.642	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	57.1	20	173.5	-51.5	-61.4	0	0	0	114.7	D321 D349	D321-N343 PolarHBondContact OD1-ND2 3.3Å; N343-D349 PolarHBondContact N-O 3.48Å
344	L	89.5	Confident	85.9	Confident	17 Å²	17	55.2 Å²	55.2	9%	0.089	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-31.6	-171	-171.1	59.3	0	0	0	113.3	I317 C341 H342 M351 V353 F388 V400	I317-L344 HydrophobicContact CD1-CD1 3.59Å; I317-L344 HydrophobicContact CG1-CD1 3.9Å; C341-L344 HydrophobicContact CB-CB 4.42Å; C341-L344 HydrophobicContact CB-CD2 3.94Å; H342-L344 PolarHBondContact O-N 2.87Å; L344-M351 HydrophobicContact CB-CG 4.47Å; L344-M351 HydrophobicContact CB-SD 4.34Å; L344-M351 HydrophobicContact CD2-CG 4.2Å; L344-M351 HydrophobicContact CD2-SD 3.87Å; L344-M351 HydrophobicContact CG-SD 4.32Å; L344-V353 HydrophobicContact CD2-CG1 3.6Å; L344-F388 HydrophobicContact CD1-CB 4.18Å; L344-F388 HydrophobicContact CD2-CB 4.15Å; L344-F388 HydrophobicContact CD2-CD1 4.36Å; L344-F388 HydrophobicContact CD2-CD2 3.8Å; L344-F388 HydrophobicContact CD2-CE2 4.19Å; L344-F388 HydrophobicContact CD2-CG 3.89Å; L344-F388 HydrophobicContact CG-CG 4.4Å; L344-V400 HydrophobicContact CD2-CG1 4.3Å
345	L	86.3	Confident	86.7	Confident	45 Å²	45	55 Å²	55	24%	0.236	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	141.6	174.7	-66.1	177.6	0	0	0	109	E347 Q348 M351 F388	L345-E347 PolarHBondContact O-N 3.21Å; L345-E347 VanDerWaalsContact O-N 3.08Å; L345-Q348 PolarHBondContact O-N 3.32Å; L345-M351 HydrophobicContact CD1-CE 4.23Å; L345-M351 HydrophobicContact CD1-SD 3.6Å; L345-M351 HydrophobicContact CG-SD 3.9Å; L345-F388 HydrophobicContact CD2-CE1 4.31Å
346	P	79.6	Confident	87.1	Confident	141 Å²	141	52.7 Å²	52.7	92%	0.916	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.3	-175.3	-24.6	34.4	0	0	0	115.2
347	E	81.3	Confident	87.2	Confident	192 Å²	192	52.9 Å²	52.9	90%	0.897	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-1.5	-175.1	-60.2	177.5	-179.4	0	0	113.1	L345	L345-E347 PolarHBondContact O-N 3.21Å; L345-E347 VanDerWaalsContact O-N 3.08Å
348	Q	78.7	Confident	87	Confident	96 Å²	96	53.1 Å²	53.1	45%	0.449	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	113.1	-178.4	-72.4	-172.4	-34.8	0	0	111.6	L345 K350	L345-Q348 PolarHBondContact O-N 3.32Å; Q348-K350 PolarHBondContact O-N 2.96Å; Q348-K350 VanDerWaalsContact O-N 3.14Å
349	D	80.4	Confident	86.4	Confident	145 Å²	145	58 Å²	58	78%	0.775	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.3	-37.3	175.4	-62	-23.2	0	0	0	112.3	H342 N343	H342-D349 VanDerWaalsContact CA-O 3.28Å; H342-D349 WeakPolarHBondContact CA-O 3.4Å; N343-D349 PolarHBondContact N-O 3.48Å
350	K	84.9	Confident	85.4	Confident	106 Å²	106	66.4 Å²	66.4	46%	0.461	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	152.1	173.5	69.5	-177.8	-165.5	162.2	0	112.6	E340 C341 Q348	E340-K350 IonicContact OE1-NZ 2.72Å; E340-K350 PolarHBondContact OE1-NZ 3.22Å; E340-K350 WeakPolarHBondContact OE2-CD 3.49Å; E340-K350 WeakPolarHBondContact OE2-CE 3.41Å; E340-K350 IonicContact OE2-NZ 3.58Å; E340-K350 PolarHBondContact OE2-NZ 3.43Å; C341-K350 CarbonylContact O-C 3.56Å; C341-K350 VanDerWaalsContact O-CA 3.29Å; C341-K350 WeakPolarHBondContact O-CA 3.47Å; Q348-K350 PolarHBondContact O-N 2.96Å; Q348-K350 VanDerWaalsContact O-N 3.14Å
351	M	88.9	Confident	84.1	Confident	34 Å²	34	65.6 Å²	65.6	17%	0.167	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	160.7	174.8	67.4	177.8	-62.5	0	0	112.6	E340 C341 L344 L345 V353 F388	E340-M351 WeakPolarHBondContact CA-O 3.3Å; C341-M351 PolarHBondContact N-O 2.91Å; C341-M351 PolarHBondContact O-N 3.02Å; L344-M351 HydrophobicContact CB-CG 4.47Å; L344-M351 HydrophobicContact CB-SD 4.34Å; L344-M351 HydrophobicContact CD2-CG 4.2Å; L344-M351 HydrophobicContact CD2-SD 3.87Å; L344-M351 HydrophobicContact CG-SD 4.32Å; L345-M351 HydrophobicContact CD1-CE 4.23Å; L345-M351 HydrophobicContact CD1-SD 3.6Å; L345-M351 HydrophobicContact CG-SD 3.9Å; M351-V353 HydrophobicContact CE-CG1 4.49Å; M351-V353 HydrophobicContact CG-CG1 4.06Å; M351-V353 HydrophobicContact SD-CG1 4.47Å; M351-F388 HydrophobicContact CE-CE2 3.91Å; M351-F388 HydrophobicContact CE-CZ 3.66Å; M351-F388 HydrophobicContact SD-CE2 4.35Å; M351-F388 HydrophobicContact SD-CZ 4.09Å
352	L	90.1	Very high	83.1	Confident	72 Å²	72	68.6 Å²	68.6	38%	0.377	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	135.4	172	-69.3	177.9	0	0	0	111	K325 L338 A339 E340 Y403	K325-L352 HydrophobicContact CD-CD2 4.47Å; L338-L352 HydrophobicContact CD1-CB 4.3Å; L338-L352 HydrophobicContact CD1-CD2 4.33Å; L338-L352 HydrophobicContact CD2-CD2 4.16Å; L338-L352 HydrophobicContact CG-CD2 4.28Å; A339-L352 WeakPolarHBondContact O-CA 3.3Å; E340-L352 HydrophobicContact CG-CD2 3.76Å; L352-Y403 HydrophobicContact CB-CD1 4.1Å; L352-Y403 HydrophobicContact CD1-CD1 4.23Å; L352-Y403 HydrophobicContact CD1-CE1 4.43Å
353	V	94.7	Very high	82.4	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	155.9	-179.1	-64.1	0	0	0	0	111.3	A339 C341 L344 M351 V355 F388 V400 F401	A339-V353 HydrophobicContact CB-CG2 3.92Å; A339-V353 PolarHBondContact N-O 3.48Å; A339-V353 PolarHBondContact O-N 2.92Å; C341-V353 HydrophobicContact CB-CG1 3.95Å; C341-V353 HydrophobicContact CB-CG2 3.68Å; L344-V353 HydrophobicContact CD2-CG1 3.6Å; M351-V353 HydrophobicContact CE-CG1 4.49Å; M351-V353 HydrophobicContact CG-CG1 4.06Å; M351-V353 HydrophobicContact SD-CG1 4.47Å; V353-V355 HydrophobicContact CG2-CG2 3.82Å; V353-F388 HydrophobicContact CG1-CD2 4.19Å; V353-F388 HydrophobicContact CG1-CE2 4.11Å; V353-V400 HydrophobicContact CB-CG1 3.75Å; V353-V400 HydrophobicContact CG1-CG1 3.93Å; V353-V400 HydrophobicContact CG2-CG1 3.81Å; V353-F401 WeakPolarHBondContact CA-O 3.2Å; V353-F401 VanDerWaalsContact CB-O 3.3Å; V353-F401 WeakPolarHBondContact CB-O 3.3Å
354	A	92.9	Very high	81.7	Confident	11 Å²	11	68.8 Å²	68.8	9%	0.091	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127	166.1	0	0	0	0	0	109.5	V336 F337 F401	V336-A354 HydrophobicContact CG1-CB 4.37Å; F337-A354 CarbonylContact O-C 3.46Å; F337-A354 WeakPolarHBondContact O-CA 3.44Å; A354-F401 HydrophobicContact CB-CB 4.41Å; A354-F401 PolarHBondContact N-O 2.88Å; A354-F401 PolarHBondContact O-N 3.37Å
355	V	91.9	Very high	80.8	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	109.9	-177.4	-176.4	0	0	0	0	109.9	I322 L324 V336 F337 A339 V353 L398 M399 V400	I322-V355 HydrophobicContact CG2-CG1 4.46Å; I322-V355 HydrophobicContact CG2-CG2 3.92Å; L324-V355 HydrophobicContact CD2-CB 3.99Å; L324-V355 HydrophobicContact CD2-CG1 3.93Å; L324-V355 HydrophobicContact CD2-CG2 4.23Å; V336-V355 WeakPolarHBondContact CA-O 3.44Å; F337-V355 PolarHBondContact N-O 3.09Å; F337-V355 PolarHBondContact O-N 2.87Å; A339-V355 HydrophobicContact CB-CB 4.48Å; A339-V355 HydrophobicContact CB-CG2 3.5Å; V353-V355 HydrophobicContact CG2-CG2 3.82Å; V355-L398 HydrophobicContact CG1-CB 3.84Å; V355-L398 HydrophobicContact CG1-CD1 4.09Å; V355-L398 HydrophobicContact CG1-CD2 4.02Å; V355-L398 HydrophobicContact CG1-CG 4.2Å; V355-M399 CarbonylContact C-O 3.59Å; V355-M399 WeakPolarHBondContact CA-O 3.4Å; V355-V400 HydrophobicContact CG2-CG2 4.47Å
356	K	90	Very high	80.4	Confident	9 Å²	9	71.4 Å²	71.4	4%	0.039	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	106.8	175.6	174.4	-174.5	175.4	-173.9	0	109	V336 E372 L398 M399 F401	V336-K356 HydrophobicContact CG2-CB 3.89Å; V336-K356 HydrophobicContact CG2-CG 4.06Å; K356-E372 IonicContact NZ-OE1 3.27Å; K356-E372 PolarHBondContact NZ-OE1 3.4Å; K356-E372 IonicContact NZ-OE2 2.82Å; K356-L398 WeakPolarHBondContact O-CA 3.32Å; K356-M399 HydrophobicContact CB-CB 4.27Å; K356-M399 HydrophobicContact CD-SD 4.23Å; K356-M399 PolarHBondContact N-O 3.48Å; K356-M399 PolarHBondContact O-N 2.86Å; K356-F401 HydrophobicContact CB-CE2 4.11Å; K356-F401 HydrophobicContact CD-CE2 4.27Å
357	A	87.6	Confident	80.4	Confident	7 Å²	7	70.4 Å²	70.4	6%	0.058	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	115.9	178.1	0	0	0	0	0	110	G334 K335 F337 P396 L397 L398	G334-A357 CarbonylContact C-O 3.51Å; G334-A357 VanDerWaalsContact CA-O 3.26Å; G334-A357 WeakPolarHBondContact CA-O 3.3Å; K335-A357 PolarHBondContact N-O 3.33Å; K335-A357 PolarHBondContact O-N 3.1Å; F337-A357 HydrophobicContact CD2-CB 4.19Å; F337-A357 HydrophobicContact CE2-CB 3.91Å; A357-P396 HydrophobicContact CB-CB 4.34Å; A357-P396 HydrophobicContact CB-CG 3.88Å; A357-L397 WeakPolarHBondContact CA-O 3.25Å; A357-L398 HydrophobicContact CB-CD2 3.59Å
358	L	80.1	Confident	80.1	Confident	25 Å²	25	62.6 Å²	62.6	13%	0.131	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	142	-177.7	-67.9	89.5	0	0	0	111.8	F333 F369 P396 L397 M399	F333-L358 WeakPolarHBondContact O-CA 3.31Å; L358-F369 HydrophobicContact CD1-CD2 3.46Å; L358-F369 VanDerWaalsContact CD1-CD2 3.46Å; L358-F369 HydrophobicContact CD1-CE2 3.5Å; L358-F369 HydrophobicContact CD2-CD2 4Å; L358-F369 HydrophobicContact CG-CD2 4.37Å; L358-P396 VanDerWaalsContact O-CB 3.26Å; L358-P396 WeakPolarHBondContact O-CB 3.32Å; L358-L397 HydrophobicContact CD1-CB 4.45Å; L358-L397 WeakPolarHBondContact CD1-O 3.45Å; L358-L397 PolarHBondContact N-O 3.02Å; L358-M399 HydrophobicContact CD1-CG 4.49Å
359	K	73.8	Confident	80.3	Confident	106 Å²	106	58.3 Å²	58.3	46%	0.461	30%	0.299	S	S	.	.	S	Bend	trans	-61.7	161.3	168.1	-76.7	162.9	179.4	171	0	110.4	E330 F333 A361	E330-K359 WeakPolarHBondContact OE1-CE 3.46Å; E330-K359 IonicContact OE1-NZ 3.51Å; E330-K359 PolarHBondContact OE1-NZ 2.8Å; F333-K359 PolarHBondContact O-N 2.89Å; K359-A361 PolarHBondContact O-N 2.94Å
360	E	65.1	Low	80.4	Confident	176 Å²	176	54.5 Å²	54.5	82%	0.822	28%	0.276	S	S	*	.	S	Bend	trans	-39.1	108.1	-169.9	-65	-159	129.5	0	0	114.3	S362	E360-S362 PolarHBondContact O-N 2.87Å
361	A	62.8	Low	80.2	Confident	17 Å²	17	53.9 Å²	53.9	14%	0.14	27%	0.271	C	S	.	.			trans	-77.2	119.1	-176.6	0	0	0	0	0	111.1	K359 A365 R366 L397	K359-A361 PolarHBondContact O-N 2.94Å; A361-A365 HydrophobicContact CB-CB 4.21Å; A361-R366 HydrophobicContact CB-CG 3.85Å; A361-L397 HydrophobicContact CB-CD1 4.18Å
362	S	70.1	Confident	79.9	Confident	62 Å²	62	54.5 Å²	54.5	43%	0.434	27%	0.274	S	S	.	.			trans	-64.1	164.4	155.2	63.9	0	0	0	0	110	E360 S364 A365 R366	E360-S362 PolarHBondContact O-N 2.87Å; S362-S364 PolarHBondContact O-N 3.09Å; S362-S364 PolarHBondContact OG-OG 2.59Å; S362-A365 PolarHBondContact O-N 3.11Å; S362-A365 WeakPolarHBondContact OG-CB 3.3Å; S362-A365 PolarHBondContact OG-N 3.39Å; S362-R366 PolarHBondContact O-N 2.81Å
363	E	73.4	Confident	79.7	Confident	117 Å²	117	51.1 Å²	51.1	55%	0.547	26%	0.256	S	S	.	.	H	α-helix	trans	-64.4	-29.5	178.7	-154.8	56	-141.3	0	0	112.4	R366 Q367	E363-R366 WeakPolarHBondContact O-CB 3.46Å; E363-R366 PolarHBondContact O-N 2.77Å; E363-R366 VanDerWaalsContact OE2-CD 3.31Å; E363-R366 WeakPolarHBondContact OE2-CD 3.3Å; E363-R366 IonicContact OE2-CZ 3.78Å; E363-R366 IonicContact OE2-NH1 3.69Å; E363-R366 PolarHBondContact OE2-NH1 3.32Å; E363-Q367 PolarHBondContact O-N 2.03Å
364	S	72.8	Confident	79.3	Confident	66 Å²	66	52.9 Å²	52.9	46%	0.462	26%	0.264	S	S	.	.	H	α-helix	trans	-64.8	-46.3	169.5	64.2	0	0	0	0	111.9	S362 R366 Q367 D368	S362-S364 PolarHBondContact O-N 3.09Å; S362-S364 PolarHBondContact OG-OG 2.59Å; S364-R366 PolarHBondContact O-N 2.8Å; S364-Q367 WeakPolarHBondContact O-CA 3.47Å; S364-Q367 WeakPolarHBondContact O-CB 3.4Å; S364-Q367 PolarHBondContact O-N 2.83Å; S364-D368 PolarHBondContact O-N 2.97Å; S364-D368 VanDerWaalsContact O-OD2 3.05Å
365	A	72.1	Confident	78.9	Confident	29 Å²	29	55.3 Å²	55.3	24%	0.24	28%	0.275	C	S	.	.	H	α-helix	trans	-64	-26	178.9	0	0	0	0	0	112.6	A361 S362 F369	A361-A365 HydrophobicContact CB-CB 4.21Å; S362-A365 PolarHBondContact O-N 3.11Å; S362-A365 WeakPolarHBondContact OG-CB 3.3Å; S362-A365 PolarHBondContact OG-N 3.39Å; A365-F369 VanDerWaalsContact O-CB 3.26Å; A365-F369 WeakPolarHBondContact O-CB 3.46Å; A365-F369 PolarHBondContact O-N 3.1Å
366	R	78.1	Confident	78.7	Confident	89 Å²	89	56.6 Å²	56.6	34%	0.336	28%	0.282	S	S	.	.	H	α-helix	trans	-68.5	-41.3	169.5	-72.4	177.6	151.9	168.5	-11.2	112.8	A361 S362 E363 S364 D368 F369 Q370 L397	A361-R366 HydrophobicContact CB-CG 3.85Å; S362-R366 PolarHBondContact O-N 2.81Å; E363-R366 WeakPolarHBondContact O-CB 3.46Å; E363-R366 PolarHBondContact O-N 2.77Å; E363-R366 VanDerWaalsContact OE2-CD 3.31Å; E363-R366 WeakPolarHBondContact OE2-CD 3.3Å; E363-R366 IonicContact OE2-CZ 3.78Å; E363-R366 IonicContact OE2-NH1 3.69Å; E363-R366 PolarHBondContact OE2-NH1 3.32Å; S364-R366 PolarHBondContact O-N 2.8Å; R366-D368 VanDerWaalsContact C-N 3.34Å; R366-F369 WeakPolarHBondContact O-CB 3.42Å; R366-F369 PolarHBondContact O-N 3.34Å; R366-Q370 WeakPolarHBondContact O-CB 3.1Å; R366-Q370 PolarHBondContact O-N 2.75Å; R366-L397 HydrophobicContact CG-CD1 4.04Å
367	Q	78.1	Confident	78.6	Confident	120 Å²	120	58 Å²	58	56%	0.561	29%	0.291	S	S	*	.	H	α-helix	trans	-69.9	-31.8	175	-65.8	175.8	-0	0	0	112.2	E363 S364 R371	E363-Q367 PolarHBondContact O-N 2.03Å; S364-Q367 WeakPolarHBondContact O-CA 3.47Å; S364-Q367 WeakPolarHBondContact O-CB 3.4Å; S364-Q367 PolarHBondContact O-N 2.83Å; Q367-R371 WeakPolarHBondContact O-CG 3.35Å; Q367-R371 PolarHBondContact O-N 2.77Å; Q367-R371 PolarHBondContact O-NE 2.73Å
368	D	75.4	Confident	78.6	Confident	28 Å²	28	63.8 Å²	63.8	15%	0.15	32%	0.319	C	S	.	.	H	α-helix	trans	-67.3	-48.5	170.3	-64.1	-51.6	0	0	0	110.7	L283 S364 R366 Q370 R371 E372	L283-D368 HydrophobicContact CD1-CB 3.71Å; L283-D368 VanDerWaalsContact CD1-CG 3.44Å; L283-D368 WeakPolarHBondContact CD1-OD2 3.33Å; L283-D368 WeakPolarHBondContact CD2-OD2 3.03Å; S364-D368 PolarHBondContact O-N 2.97Å; S364-D368 VanDerWaalsContact O-OD2 3.05Å; R366-D368 VanDerWaalsContact C-N 3.34Å; D368-Q370 PolarHBondContact O-N 3.19Å; D368-R371 PolarHBondContact O-N 3.35Å; D368-R371 IonicContact OD1-CZ 3.89Å; D368-R371 IonicContact OD1-NH1 3.49Å; D368-R371 IonicContact OD1-NH2 2.91Å; D368-R371 PolarHBondContact OD1-NH2 2.69Å; D368-E372 WeakPolarHBondContact O-CB 3.5Å; D368-E372 PolarHBondContact O-N 3.24Å
369	F	82.8	Confident	78.9	Confident	5 Å²	5	63.5 Å²	63.5	2%	0.022	32%	0.317	C	S	.	.	H	α-helix	trans	-54.3	-46.4	175.4	172.5	-86.5	0	0	0	113.1	L358 A365 R366 E372 A373 V390 T392 L397 M399	L358-F369 HydrophobicContact CD1-CD2 3.46Å; L358-F369 VanDerWaalsContact CD1-CD2 3.46Å; L358-F369 HydrophobicContact CD1-CE2 3.5Å; L358-F369 HydrophobicContact CD2-CD2 4Å; L358-F369 HydrophobicContact CG-CD2 4.37Å; A365-F369 VanDerWaalsContact O-CB 3.26Å; A365-F369 WeakPolarHBondContact O-CB 3.46Å; A365-F369 PolarHBondContact O-N 3.1Å; R366-F369 WeakPolarHBondContact O-CB 3.42Å; R366-F369 PolarHBondContact O-N 3.34Å; F369-E372 PolarHBondContact O-N 2.61Å; F369-A373 WeakPolarHBondContact O-CB 3.35Å; F369-A373 PolarHBondContact O-N 2.94Å; F369-V390 HydrophobicContact CE1-CB 4.03Å; F369-V390 HydrophobicContact CE1-CG1 3.75Å; F369-V390 HydrophobicContact CZ-CB 3.8Å; F369-V390 HydrophobicContact CZ-CG1 3.58Å; F369-T392 HydrophobicContact CE1-CG2 3.94Å; F369-L397 HydrophobicContact CD1-CD1 4.14Å; F369-L397 HydrophobicContact CD2-CB 4.2Å; F369-L397 HydrophobicContact CD2-CD1 4.28Å; F369-L397 HydrophobicContact CE1-CD1 4.4Å; F369-L397 HydrophobicContact CE2-CB 3.79Å; F369-L397 HydrophobicContact CG-CD1 4.08Å; F369-L397 HydrophobicContact CZ-CB 4.02Å; F369-M399 HydrophobicContact CD2-CE 3.45Å; F369-M399 VanDerWaalsContact CD2-CE 3.45Å; F369-M399 HydrophobicContact CD2-CG 4.24Å; F369-M399 HydrophobicContact CE2-CE 3.7Å; F369-M399 HydrophobicContact CE2-CG 3.54Å; F369-M399 HydrophobicContact CE2-SD 4.44Å; F369-M399 HydrophobicContact CG-CE 4.04Å; F369-M399 HydrophobicContact CZ-CE 4.44Å; F369-M399 HydrophobicContact CZ-CG 4.11Å
370	Q	82.3	Confident	79.7	Confident	65 Å²	65	62.1 Å²	62.1	30%	0.304	31%	0.313	S	S	.	.	H	α-helix	trans	-64	-44.5	-179.8	-179.5	59.8	32	0	0	111.2	R366 D368 A373 E374	R366-Q370 WeakPolarHBondContact O-CB 3.1Å; R366-Q370 PolarHBondContact O-N 2.75Å; D368-Q370 PolarHBondContact O-N 3.19Å; Q370-A373 PolarHBondContact O-N 3.29Å; Q370-E374 WeakPolarHBondContact CG-OE1 3.3Å; Q370-E374 PolarHBondContact NE2-OE1 3.19Å; Q370-E374 WeakPolarHBondContact O-CG 3.48Å; Q370-E374 PolarHBondContact O-N 3.21Å
371	R	80.9	Confident	81.1	Confident	93 Å²	93	56.9 Å²	56.9	35%	0.351	29%	0.288	S	S	.	.	H	α-helix	trans	-65.5	-38.3	175.8	-76.5	178	-73.5	152	-2.5	112.8	Q367 D368 L375	Q367-R371 WeakPolarHBondContact O-CG 3.35Å; Q367-R371 PolarHBondContact O-N 2.77Å; Q367-R371 PolarHBondContact O-NE 2.73Å; D368-R371 PolarHBondContact O-N 3.35Å; D368-R371 IonicContact OD1-CZ 3.89Å; D368-R371 IonicContact OD1-NH1 3.49Å; D368-R371 IonicContact OD1-NH2 2.91Å; D368-R371 PolarHBondContact OD1-NH2 2.69Å; R371-L375 WeakPolarHBondContact O-CG 3.47Å; R371-L375 PolarHBondContact O-N 2.64Å; R371-L375 VanDerWaalsContact O-N 3.12Å
372	E	82.7	Confident	82.7	Confident	48 Å²	48	62.7 Å²	62.7	22%	0.224	31%	0.312	C	S	.	.	H	α-helix	trans	-62.7	-45.3	173.8	-174.2	-173.7	161.6	0	0	110.5	K356 D368 F369 L375 L376 M399	K356-E372 IonicContact NZ-OE1 3.27Å; K356-E372 PolarHBondContact NZ-OE1 3.4Å; K356-E372 IonicContact NZ-OE2 2.82Å; D368-E372 WeakPolarHBondContact O-CB 3.5Å; D368-E372 PolarHBondContact O-N 3.24Å; F369-E372 PolarHBondContact O-N 2.61Å; E372-L375 PolarHBondContact O-N 2.88Å; E372-L376 HydrophobicContact CG-CD1 3.93Å; E372-L376 WeakPolarHBondContact O-CB 3.32Å; E372-L376 WeakPolarHBondContact O-CG 3.29Å; E372-L376 PolarHBondContact O-N 2.83Å; E372-M399 HydrophobicContact CB-CE 3.89Å; E372-M399 VanDerWaalsContact CD-CE 3.5Å; E372-M399 HydrophobicContact CG-CE 3.79Å; E372-M399 HydrophobicContact CG-SD 4.45Å
373	A	86.8	Confident	84	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.7	-43.7	176.6	0	0	0	0	0	113	V314 F369 Q370 L376 T377 F387 V390	V314-A373 HydrophobicContact CG1-CB 4.16Å; V314-A373 HydrophobicContact CG2-CB 4.49Å; F369-A373 WeakPolarHBondContact O-CB 3.35Å; F369-A373 PolarHBondContact O-N 2.94Å; Q370-A373 PolarHBondContact O-N 3.29Å; A373-L376 PolarHBondContact O-N 2.87Å; A373-T377 PolarHBondContact O-N 2.58Å; A373-T377 PolarHBondContact O-OG1 2.71Å; A373-T377 VanDerWaalsContact O-OG1 3.09Å; A373-F387 HydrophobicContact CB-CE1 4.3Å; A373-F387 HydrophobicContact CB-CZ 3.99Å; A373-F387 WeakPolarHBondContact O-CE1 3.3Å; A373-V390 HydrophobicContact CB-CG1 3.6Å
374	E	86.1	Confident	85	Confident	37 Å²	37	55.7 Å²	55.7	17%	0.173	27%	0.273	C	S	.	.	H	α-helix	trans	-60.9	-45.8	176.6	-73.6	173.8	-150.5	0	0	112	S310 A312 V314 Q370 T377 M378	S310-E374 WeakPolarHBondContact CB-OE2 3.41Å; S310-E374 PolarHBondContact OG-OE2 3.1Å; A312-E374 HydrophobicContact CB-CB 4.07Å; A312-E374 HydrophobicContact CB-CG 4.06Å; V314-E374 HydrophobicContact CG2-CB 4.42Å; V314-E374 HydrophobicContact CG2-CG 3.73Å; Q370-E374 WeakPolarHBondContact CG-OE1 3.3Å; Q370-E374 PolarHBondContact NE2-OE1 3.19Å; Q370-E374 WeakPolarHBondContact O-CG 3.48Å; Q370-E374 PolarHBondContact O-N 3.21Å; E374-T377 WeakPolarHBondContact O-CB 3.18Å; E374-T377 PolarHBondContact O-N 3.33Å; E374-M378 PolarHBondContact O-N 2.64Å
375	L	84.4	Confident	86.1	Confident	62 Å²	62	52.8 Å²	52.8	33%	0.325	25%	0.252	S	S	.	.	H	α-helix	trans	-62.6	-45.7	175.4	-71.4	-179.3	0	0	0	112	F280 R371 E372 T377 M378 L379	F280-L375 HydrophobicContact CE1-CD1 3.62Å; F280-L375 HydrophobicContact CE2-CD1 4.11Å; F280-L375 HydrophobicContact CZ-CD1 3.27Å; F280-L375 HydrophobicContact CZ-CG 4.46Å; R371-L375 WeakPolarHBondContact O-CG 3.47Å; R371-L375 PolarHBondContact O-N 2.64Å; R371-L375 VanDerWaalsContact O-N 3.12Å; E372-L375 PolarHBondContact O-N 2.88Å; L375-T377 VanDerWaalsContact C-N 3.26Å; L375-T377 PolarHBondContact O-N 3.37Å; L375-M378 WeakPolarHBondContact O-CB 3.26Å; L375-M378 PolarHBondContact O-N 2.64Å; L375-L379 WeakPolarHBondContact O-CG 3.42Å; L375-L379 PolarHBondContact O-N 3.08Å
376	L	88.1	Confident	87.1	Confident	27 Å²	27	56.6 Å²	56.6	14%	0.141	26%	0.26	C	S	.	.	H	α-helix	trans	-64.7	-29.3	178.7	-70.1	170.4	0	0	0	112.7	E372 A373 M378 L379 Q380 F387 M399 F401	E372-L376 HydrophobicContact CG-CD1 3.93Å; E372-L376 WeakPolarHBondContact O-CB 3.32Å; E372-L376 WeakPolarHBondContact O-CG 3.29Å; E372-L376 PolarHBondContact O-N 2.83Å; A373-L376 PolarHBondContact O-N 2.87Å; L376-M378 VanDerWaalsContact C-N 3.31Å; L376-L379 PolarHBondContact O-N 3.3Å; L376-Q380 PolarHBondContact O-NE2 3.02Å; L376-F387 HydrophobicContact CB-CB 3.89Å; L376-F387 HydrophobicContact CB-CD1 3.51Å; L376-F387 HydrophobicContact CB-CD2 4.29Å; L376-F387 HydrophobicContact CB-CE1 3.99Å; L376-F387 HydrophobicContact CB-CG 3.65Å; L376-F387 HydrophobicContact CD1-CD2 4.3Å; L376-F387 HydrophobicContact CD1-CE2 4.49Å; L376-F387 HydrophobicContact CD1-CG 4.46Å; L376-M399 HydrophobicContact CD1-SD 4.22Å; L376-F401 HydrophobicContact CD1-CE1 3.9Å; L376-F401 HydrophobicContact CD1-CZ 3.82Å; L376-F401 HydrophobicContact CD2-CE1 4.47Å
377	T	87.6	Confident	87.8	Confident	38 Å²	38	52.7 Å²	52.7	23%	0.233	25%	0.246	C	C	.	.	H	α-helix	trans	-64.7	-34.8	170.4	-68.3	0	0	0	0	111.8	A373 E374 L375 F387	A373-T377 PolarHBondContact O-N 2.58Å; A373-T377 PolarHBondContact O-OG1 2.71Å; A373-T377 VanDerWaalsContact O-OG1 3.09Å; E374-T377 WeakPolarHBondContact O-CB 3.18Å; E374-T377 PolarHBondContact O-N 3.33Å; L375-T377 VanDerWaalsContact C-N 3.26Å; L375-T377 PolarHBondContact O-N 3.37Å; T377-F387 WeakPolarHBondContact OG1-CE1 3.32Å
378	M	86.4	Confident	88.6	Confident	129 Å²	129	48 Å²	48	64%	0.635	22%	0.224	S	C	*	.	H	α-helix	trans	-78.5	-25.7	176.7	-62.2	179.4	70.9	0	0	113.8	E374 L375 L376 Q380 Y452	E374-M378 PolarHBondContact O-N 2.64Å; L375-M378 WeakPolarHBondContact O-CB 3.26Å; L375-M378 PolarHBondContact O-N 2.64Å; L376-M378 VanDerWaalsContact C-N 3.31Å; M378-Q380 PolarHBondContact O-N 3.22Å; M378-Y452 PolarHBondContact O-OH 3.34Å
379	L	88.1	Confident	89.5	Confident	19 Å²	19	46.7 Å²	46.7	10%	0.099	22%	0.216	C	C	.	.			trans	-89.1	84.8	-177.4	-64.9	179.6	0	0	0	111.9	L375 L376 I384 Y452 L453 L456 F458	L375-L379 WeakPolarHBondContact O-CG 3.42Å; L375-L379 PolarHBondContact O-N 3.08Å; L376-L379 PolarHBondContact O-N 3.3Å; L379-I384 HydrophobicContact CB-CG2 4.46Å; L379-Y452 HydrophobicContact CD2-CE1 4.14Å; L379-L453 HydrophobicContact CD1-CD2 4.29Å; L379-L453 HydrophobicContact CD2-CD2 3.84Å; L379-L456 HydrophobicContact CD2-CD1 3.68Å; L379-F458 HydrophobicContact CD1-CD2 4.21Å; L379-F458 HydrophobicContact CD1-CE2 3.94Å; L379-F458 HydrophobicContact CD1-CZ 4.1Å; L379-F458 HydrophobicContact CD2-CD2 4.5Å
380	Q	89.3	Confident	90	Very high	78 Å²	78	46.4 Å²	46.4	36%	0.364	22%	0.215	S	C	.	.			trans	-123.7	108.6	-178.5	-63	-71.4	-43.7	0	0	110.8	L376 M378 F387 Y452	L376-Q380 PolarHBondContact O-NE2 3.02Å; M378-Q380 PolarHBondContact O-N 3.22Å; Q380-F387 PolarHBondContact NE2-O 3.32Å; Q380-Y452 PolarHBondContact N-OH 3.2Å; Q380-Y452 PolarHBondContact O-OH 3.31Å
381	H	94.9	Very high	90.5	Very high	65 Å²	65	43.3 Å²	43.3	30%	0.301	20%	0.201	S	C	.	.			trans	-157.3	154	-178.3	177.1	-110.1	0	0	0	111.3	H383 I384 A448 Y452	H381-H383 PolarHBondContact ND1-N 3.38Å; H381-H383 PolarHBondContact O-N 3.36Å; H381-H383 VanDerWaalsContact O-N 3.1Å; H381-I384 HydrophobicContact CB-CB 4.28Å; H381-I384 HydrophobicContact CB-CG1 3.89Å; H381-I384 PolarHBondContact O-N 3.5Å; H381-I384 VanDerWaalsContact O-O 3.05Å; H381-A448 PolarHBondContact CE1-O 2.93Å; H381-Y452 HydrophobicContact CB-CD1 3.56Å; H381-Y452 HydrophobicContact CB-CD2 3.73Å; H381-Y452 HydrophobicContact CB-CE1 3.69Å; H381-Y452 HydrophobicContact CB-CE2 3.85Å; H381-Y452 HydrophobicContact CB-CG 3.57Å; H381-Y452 AromaticContact CD2-CD2 3.72Å; H381-Y452 AromaticContact CD2-CG 3.87Å; H381-Y452 AromaticContact CG-CD1 3.97Å; H381-Y452 AromaticContact CG-CD2 3.76Å; H381-Y452 AromaticContact CG-CG 3.53Å; H381-Y452 AromaticContact ND1-CG 3.95Å
382	Q	96.3	Very high	90.8	Very high	140 Å²	140	41.8 Å²	41.8	65%	0.654	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-33	-175.8	-176.5	174.6	0.4	0	0	113.9	K477	Q382-K477 WeakPolarHBondContact O-CE 3.45Å
383	H	97.4	Very high	90.6	Very high	20 Å²	20	44.6 Å²	44.6	9%	0.093	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	19.5	-179.2	-62	-62.5	0	0	0	114.2	H381 Q445 V476 K477 I478	H381-H383 PolarHBondContact ND1-N 3.38Å; H381-H383 PolarHBondContact O-N 3.36Å; H381-H383 VanDerWaalsContact O-N 3.1Å; H383-Q445 VanDerWaalsContact CB-O 3.3Å; H383-Q445 WeakPolarHBondContact CB-O 3.44Å; H383-Q445 VanDerWaalsContact CE1-CG 3.43Å; H383-Q445 WeakPolarHBondContact CE1-CG 3.14Å; H383-Q445 PolarHBondContact CE1-OE1 3.31Å; H383-V476 PolarHBondContact ND1-O 3.05Å; H383-K477 WeakPolarHBondContact O-CA 3.2Å; H383-I478 PolarHBondContact O-N 3.04Å
384	I	95.4	Very high	89.9	Confident	11 Å²	11	47.1 Å²	47.1	6%	0.056	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-114.5	138.1	166.3	-57.4	-59.5	0	0	0	107.3	L379 H381 R386 Y452 L453 I478	L379-I384 HydrophobicContact CB-CG2 4.46Å; H381-I384 HydrophobicContact CB-CB 4.28Å; H381-I384 HydrophobicContact CB-CG1 3.89Å; H381-I384 PolarHBondContact O-N 3.5Å; H381-I384 VanDerWaalsContact O-O 3.05Å; I384-R386 PolarHBondContact O-N 2.81Å; I384-Y452 HydrophobicContact CG1-CD1 3.84Å; I384-Y452 HydrophobicContact CG1-CE1 4.22Å; I384-L453 HydrophobicContact CD1-CD1 3.94Å; I384-L453 HydrophobicContact CD1-CD2 3.93Å; I384-L453 HydrophobicContact CD1-CG 3.83Å; I384-L453 HydrophobicContact CG1-CD2 4.42Å; I384-I478 CarbonylContact C-O 3.59Å; I384-I478 WeakPolarHBondContact CA-O 3.35Å; I384-I478 HydrophobicContact CD1-CB 3.96Å; I384-I478 HydrophobicContact CD1-CD1 4.21Å; I384-I478 HydrophobicContact CD1-CG1 4.46Å
385	V	94.6	Very high	89.3	Confident	5 Å²	5	51.9 Å²	51.9	3%	0.03	26%	0.258	C	S	.	.			trans	-64.8	119.8	-179.2	178.7	0	0	0	0	109.2	F387 F401 E402 L469 K477 I478 F481	V385-F387 PolarHBondContact O-N 3.09Å; V385-F401 HydrophobicContact CG1-CB 4.41Å; V385-F401 HydrophobicContact CG1-CD1 4.49Å; V385-E402 WeakPolarHBondContact CA-OE1 3.38Å; V385-E402 HydrophobicContact CG1-CG 3.82Å; V385-L469 HydrophobicContact CG1-CD1 4.39Å; V385-L469 HydrophobicContact CG2-CB 4.2Å; V385-L469 HydrophobicContact CG2-CD1 3.93Å; V385-L469 HydrophobicContact CG2-CG 4.18Å; V385-K477 HydrophobicContact CG2-CB 3.69Å; V385-I478 WeakPolarHBondContact CG2-O 3.26Å; V385-I478 PolarHBondContact N-O 3.32Å; V385-F481 HydrophobicContact CB-CE2 3.93Å; V385-F481 HydrophobicContact CG1-CE2 3.7Å; V385-F481 HydrophobicContact CG1-CZ 3.94Å; V385-F481 HydrophobicContact CG2-CE2 4.12Å
386	R	93.7	Very high	89.4	Confident	109 Å²	109	51.6 Å²	51.6	41%	0.411	26%	0.26	S	S	.	.			trans	-64.8	115.9	-174.9	-173.5	174.6	-174.1	-174.6	-2.2	110.7	I384 F388 F401 E402	I384-R386 PolarHBondContact O-N 2.81Å; R386-F388 HydrophobicContact CG-CD1 4.36Å; R386-F388 HydrophobicContact CG-CE1 4.1Å; R386-F388 HydrophobicContact CG-CZ 4.45Å; R386-F401 CarbonylContact O-C 3.57Å; R386-F401 VanDerWaalsContact O-CA 3.32Å; R386-F401 WeakPolarHBondContact O-CA 3.35Å; R386-E402 HydrophobicContact CB-CB 4.27Å; R386-E402 HydrophobicContact CB-CG 4Å; R386-E402 VanDerWaalsContact CB-OE1 3.31Å; R386-E402 WeakPolarHBondContact CB-OE1 3.31Å; R386-E402 PolarHBondContact N-OE1 3.22Å; R386-E402 PolarHBondContact O-N 3.48Å
387	F	93.6	Very high	89.3	Confident	8 Å²	8	51 Å²	51	4%	0.035	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	134.1	165.3	178.5	-120.1	0	0	0	110.2	A373 L376 T377 Q380 V385 G389 V390 M399 V400 F401	A373-F387 HydrophobicContact CB-CE1 4.3Å; A373-F387 HydrophobicContact CB-CZ 3.99Å; A373-F387 WeakPolarHBondContact O-CE1 3.3Å; L376-F387 HydrophobicContact CB-CB 3.89Å; L376-F387 HydrophobicContact CB-CD1 3.51Å; L376-F387 HydrophobicContact CB-CD2 4.29Å; L376-F387 HydrophobicContact CB-CE1 3.99Å; L376-F387 HydrophobicContact CB-CG 3.65Å; L376-F387 HydrophobicContact CD1-CD2 4.3Å; L376-F387 HydrophobicContact CD1-CE2 4.49Å; L376-F387 HydrophobicContact CD1-CG 4.46Å; T377-F387 WeakPolarHBondContact OG1-CE1 3.32Å; Q380-F387 PolarHBondContact NE2-O 3.32Å; V385-F387 PolarHBondContact O-N 3.09Å; F387-G389 WeakPolarHBondContact CE2-O 3.35Å; F387-G389 WeakPolarHBondContact CZ-O 3.35Å; F387-V390 HydrophobicContact CE2-CG1 4.45Å; F387-V390 HydrophobicContact CZ-CG1 3.77Å; F387-M399 HydrophobicContact CE2-CB 3.99Å; F387-M399 HydrophobicContact CE2-CG 4.27Å; F387-V400 WeakPolarHBondContact CD2-O 3.41Å; F387-F401 HydrophobicContact CB-CD1 3.99Å; F387-F401 HydrophobicContact CB-CE1 3.98Å; F387-F401 AromaticContact CD2-CD1 3.87Å; F387-F401 HydrophobicContact CD2-CD1 3.87Å; F387-F401 AromaticContact CD2-CE1 3.56Å; F387-F401 HydrophobicContact CD2-CE1 3.56Å; F387-F401 HydrophobicContact CD2-CE2 4.38Å; F387-F401 HydrophobicContact CD2-CG 4.42Å; F387-F401 AromaticContact CD2-CZ 3.83Å; F387-F401 HydrophobicContact CD2-CZ 3.83Å; F387-F401 HydrophobicContact CE2-CE1 4.45Å; F387-F401 HydrophobicContact CE2-CZ 4.31Å; F387-F401 HydrophobicContact CG-CD1 4.44Å; F387-F401 HydrophobicContact CG-CE1 4.17Å
388	F	94.3	Very high	89.4	Confident	21 Å²	21	49.2 Å²	49.2	9%	0.092	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-20.7	-179.5	-71.2	-60.6	0	0	0	114.2	H315 I317 L344 L345 M351 V353 R386 V400 F401 E402	H315-F388 WeakPolarHBondContact CB-O 3.4Å; H315-F388 PolarHBondContact ND1-O 2.87Å; I317-F388 HydrophobicContact CD1-CB 4.33Å; L344-F388 HydrophobicContact CD1-CB 4.18Å; L344-F388 HydrophobicContact CD2-CB 4.15Å; L344-F388 HydrophobicContact CD2-CD1 4.36Å; L344-F388 HydrophobicContact CD2-CD2 3.8Å; L344-F388 HydrophobicContact CD2-CE2 4.19Å; L344-F388 HydrophobicContact CD2-CG 3.89Å; L344-F388 HydrophobicContact CG-CG 4.4Å; L345-F388 HydrophobicContact CD2-CE1 4.31Å; M351-F388 HydrophobicContact CE-CE2 3.91Å; M351-F388 HydrophobicContact CE-CZ 3.66Å; M351-F388 HydrophobicContact SD-CE2 4.35Å; M351-F388 HydrophobicContact SD-CZ 4.09Å; V353-F388 HydrophobicContact CG1-CD2 4.19Å; V353-F388 HydrophobicContact CG1-CE2 4.11Å; R386-F388 HydrophobicContact CG-CD1 4.36Å; R386-F388 HydrophobicContact CG-CE1 4.1Å; R386-F388 HydrophobicContact CG-CZ 4.45Å; F388-V400 HydrophobicContact CB-CB 4.43Å; F388-V400 HydrophobicContact CB-CG1 4.33Å; F388-V400 HydrophobicContact CD2-CG1 4.33Å; F388-V400 PolarHBondContact N-O 3.04Å; F388-F401 VanDerWaalsContact CD2-C 3.5Å; F388-E402 HydrophobicContact CE2-CB 3.97Å; F388-E402 HydrophobicContact CZ-CB 4.28Å
389	G	93.9	Very high	89.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.7	-171.1	-178.3	0	0	0	0	0	114.5	H315 F387 V400	H315-G389 CarbonylContact O-C 3.6Å; H315-G389 WeakPolarHBondContact O-CA 3.43Å; F387-G389 WeakPolarHBondContact CE2-O 3.35Å; F387-G389 WeakPolarHBondContact CZ-O 3.35Å; G389-V400 PolarHBondContact O-N 3.32Å
390	V	94	Very high	90	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	151.6	-176.9	-60.4	0	0	0	0	112	V314 H315 H316 I317 F369 A373 F387 T392 L398	V314-V390 HydrophobicContact CG1-CG1 4.1Å; V314-V390 HydrophobicContact CG1-CG2 3.78Å; H315-V390 PolarHBondContact O-N 3.45Å; H316-V390 CarbonylContact C-O 3.55Å; H316-V390 WeakPolarHBondContact CA-O 3.31Å; I317-V390 PolarHBondContact N-O 3.35Å; F369-V390 HydrophobicContact CE1-CB 4.03Å; F369-V390 HydrophobicContact CE1-CG1 3.75Å; F369-V390 HydrophobicContact CZ-CB 3.8Å; F369-V390 HydrophobicContact CZ-CG1 3.58Å; A373-V390 HydrophobicContact CB-CG1 3.6Å; F387-V390 HydrophobicContact CE2-CG1 4.45Å; F387-V390 HydrophobicContact CZ-CG1 3.77Å; V390-T392 HydrophobicContact CB-CG2 4.45Å; V390-T392 HydrophobicContact CG2-CG2 3.98Å; V390-L398 CarbonylContact C-O 3.58Å; V390-L398 VanDerWaalsContact CA-O 3.28Å; V390-L398 WeakPolarHBondContact CA-O 3.44Å
391	C	91.5	Very high	90.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	109.9	157.9	168.8	0	0	0	0	108.7	I317 R319 I322 L398	I317-C391 WeakPolarHBondContact O-CA 3.4Å; I317-C391 VanDerWaalsContact O-CB 3.29Å; I317-C391 WeakPolarHBondContact O-CB 3.22Å; R319-C391 VanDerWaalsContact CA-SG 3.6Å; I322-C391 HydrophobicContact CD1-CB 3.66Å; C391-L398 HydrophobicContact CB-CB 4.04Å; C391-L398 HydrophobicContact CB-CD1 4.07Å; C391-L398 HydrophobicContact CB-CG 4.3Å; C391-L398 PolarHBondContact N-O 3.02Å; C391-L398 PolarHBondContact O-N 3.37Å
392	T	86.9	Confident	90.2	Very high	61 Å²	61	37.2 Å²	37.2	37%	0.374	19%	0.187	S	C	.	.			trans	-98.4	-1	175.2	50.7	0	0	0	0	112.8	H316 F369 V390 G394 L397	H316-T392 PolarHBondContact CE1-OG1 3.42Å; H316-T392 PolarHBondContact ND1-OG1 3.2Å; F369-T392 HydrophobicContact CE1-CG2 3.94Å; V390-T392 HydrophobicContact CB-CG2 4.45Å; V390-T392 HydrophobicContact CG2-CG2 3.98Å; T392-G394 PolarHBondContact O-N 2.93Å; T392-L397 HydrophobicContact CG2-CD2 4.28Å
393	E	79.9	Confident	90	Very high	106 Å²	106	33.4 Å²	33.4	50%	0.495	17%	0.167	S	C	.	.	S	Bend	trans	-73.6	107.6	175.9	-177	-175.3	179.9	0	0	110.3	R319	R319-E393 HydrophobicContact CB-CB 4.09Å; R319-E393 HydrophobicContact CB-CG 4.02Å; R319-E393 WeakPolarHBondContact CB-OE2 3.38Å; R319-E393 PolarHBondContact N-OE2 2.84Å
394	G	71.1	Confident	89.7	Confident	54 Å²	54	32.9 Å²	32.9	56%	0.557	17%	0.165	S	C	*	.	S	Bend	trans	84.1	-146.8	177.8	0	0	0	0	0	114.5	T392	T392-G394 PolarHBondContact O-N 2.93Å
395	R	74.8	Confident	89.3	Confident	136 Å²	136	38 Å²	38	51%	0.513	18%	0.184	S	C	.	.	S	Bend	trans	-141.4	149.4	174	-74.7	-173	172.5	-149.9	-6.9	109.1
396	P	84.6	Confident	88.9	Confident	56 Å²	56	40.3 Å²	40.3	36%	0.364	19%	0.194	S	C	.	.	S	Bend	cis	-69	165.5	-7.1	28.9	-33.9	0	0	0	112.5	A357 L358 L398	A357-P396 HydrophobicContact CB-CB 4.34Å; A357-P396 HydrophobicContact CB-CG 3.88Å; L358-P396 VanDerWaalsContact O-CB 3.26Å; L358-P396 WeakPolarHBondContact O-CB 3.32Å; P396-L398 HydrophobicContact CG-CD2 3.96Å
397	L	86.9	Confident	88.6	Confident	15 Å²	15	36.6 Å²	36.6	8%	0.079	19%	0.19	C	C	.	.			trans	-72.6	136.2	169.9	-66	-179.5	0	0	0	109.3	A357 L358 A361 R366 F369 T392	A357-L397 WeakPolarHBondContact CA-O 3.25Å; L358-L397 HydrophobicContact CD1-CB 4.45Å; L358-L397 WeakPolarHBondContact CD1-O 3.45Å; L358-L397 PolarHBondContact N-O 3.02Å; A361-L397 HydrophobicContact CB-CD1 4.18Å; R366-L397 HydrophobicContact CG-CD1 4.04Å; F369-L397 HydrophobicContact CD1-CD1 4.14Å; F369-L397 HydrophobicContact CD2-CB 4.2Å; F369-L397 HydrophobicContact CD2-CD1 4.28Å; F369-L397 HydrophobicContact CE1-CD1 4.4Å; F369-L397 HydrophobicContact CE2-CB 3.79Å; F369-L397 HydrophobicContact CG-CD1 4.08Å; F369-L397 HydrophobicContact CZ-CB 4.02Å; T392-L397 HydrophobicContact CG2-CD2 4.28Å
398	L	90.7	Very high	88.5	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137.5	-175.4	-45.9	177.4	0	0	0	111.3	I322 V355 K356 A357 V390 C391 P396	I322-L398 HydrophobicContact CD1-CD1 3.95Å; I322-L398 HydrophobicContact CG2-CD1 4.44Å; V355-L398 HydrophobicContact CG1-CB 3.84Å; V355-L398 HydrophobicContact CG1-CD1 4.09Å; V355-L398 HydrophobicContact CG1-CD2 4.02Å; V355-L398 HydrophobicContact CG1-CG 4.2Å; K356-L398 WeakPolarHBondContact O-CA 3.32Å; A357-L398 HydrophobicContact CB-CD2 3.59Å; V390-L398 CarbonylContact C-O 3.58Å; V390-L398 VanDerWaalsContact CA-O 3.28Å; V390-L398 WeakPolarHBondContact CA-O 3.44Å; C391-L398 HydrophobicContact CB-CB 4.04Å; C391-L398 HydrophobicContact CB-CD1 4.07Å; C391-L398 HydrophobicContact CB-CG 4.3Å; C391-L398 PolarHBondContact N-O 3.02Å; C391-L398 PolarHBondContact O-N 3.37Å; P396-L398 HydrophobicContact CG-CD2 3.96Å
399	M	92.1	Very high	88.5	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	136.4	162.4	-66	-176	173	0	0	109.4	V355 K356 L358 F369 E372 L376 F387 F401	V355-M399 CarbonylContact C-O 3.59Å; V355-M399 WeakPolarHBondContact CA-O 3.4Å; K356-M399 HydrophobicContact CB-CB 4.27Å; K356-M399 HydrophobicContact CD-SD 4.23Å; K356-M399 PolarHBondContact N-O 3.48Å; K356-M399 PolarHBondContact O-N 2.86Å; L358-M399 HydrophobicContact CD1-CG 4.49Å; F369-M399 HydrophobicContact CD2-CE 3.45Å; F369-M399 VanDerWaalsContact CD2-CE 3.45Å; F369-M399 HydrophobicContact CD2-CG 4.24Å; F369-M399 HydrophobicContact CE2-CE 3.7Å; F369-M399 HydrophobicContact CE2-CG 3.54Å; F369-M399 HydrophobicContact CE2-SD 4.44Å; F369-M399 HydrophobicContact CG-CE 4.04Å; F369-M399 HydrophobicContact CZ-CE 4.44Å; F369-M399 HydrophobicContact CZ-CG 4.11Å; E372-M399 HydrophobicContact CB-CE 3.89Å; E372-M399 VanDerWaalsContact CD-CE 3.5Å; E372-M399 HydrophobicContact CG-CE 3.79Å; E372-M399 HydrophobicContact CG-SD 4.45Å; L376-M399 HydrophobicContact CD1-SD 4.22Å; F387-M399 HydrophobicContact CE2-CB 3.99Å; F387-M399 HydrophobicContact CE2-CG 4.27Å; M399-F401 HydrophobicContact CB-CD2 4.28Å; M399-F401 HydrophobicContact CB-CE2 3.45Å; M399-F401 VanDerWaalsContact CB-CE2 3.45Å; M399-F401 HydrophobicContact CB-CZ 4.01Å; M399-F401 HydrophobicContact SD-CE2 4.36Å; M399-F401 HydrophobicContact SD-CZ 4.14Å
400	V	94.3	Very high	88.4	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129	-176.1	-171.8	0	0	0	0	110.2	I317 I322 L344 V353 V355 F387 F388 G389	I317-V400 HydrophobicContact CD1-CB 3.62Å; I317-V400 HydrophobicContact CD1-CG1 4.06Å; I317-V400 HydrophobicContact CD1-CG2 3.62Å; I322-V400 HydrophobicContact CD1-CG2 3.82Å; L344-V400 HydrophobicContact CD2-CG1 4.3Å; V353-V400 HydrophobicContact CB-CG1 3.75Å; V353-V400 HydrophobicContact CG1-CG1 3.93Å; V353-V400 HydrophobicContact CG2-CG1 3.81Å; V355-V400 HydrophobicContact CG2-CG2 4.47Å; F387-V400 WeakPolarHBondContact CD2-O 3.41Å; F388-V400 HydrophobicContact CB-CB 4.43Å; F388-V400 HydrophobicContact CB-CG1 4.33Å; F388-V400 HydrophobicContact CD2-CG1 4.33Å; F388-V400 PolarHBondContact N-O 3.04Å; G389-V400 PolarHBondContact O-N 3.32Å
401	F	94.3	Very high	88.2	Confident	6 Å²	6	41.1 Å²	41.1	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	164.5	-176.4	-59.9	-93.3	0	0	0	111.2	V353 A354 K356 L376 V385 R386 F387 F388 M399 F481	V353-F401 WeakPolarHBondContact CA-O 3.2Å; V353-F401 VanDerWaalsContact CB-O 3.3Å; V353-F401 WeakPolarHBondContact CB-O 3.3Å; A354-F401 HydrophobicContact CB-CB 4.41Å; A354-F401 PolarHBondContact N-O 2.88Å; A354-F401 PolarHBondContact O-N 3.37Å; K356-F401 HydrophobicContact CB-CE2 4.11Å; K356-F401 HydrophobicContact CD-CE2 4.27Å; L376-F401 HydrophobicContact CD1-CE1 3.9Å; L376-F401 HydrophobicContact CD1-CZ 3.82Å; L376-F401 HydrophobicContact CD2-CE1 4.47Å; V385-F401 HydrophobicContact CG1-CB 4.41Å; V385-F401 HydrophobicContact CG1-CD1 4.49Å; R386-F401 CarbonylContact O-C 3.57Å; R386-F401 VanDerWaalsContact O-CA 3.32Å; R386-F401 WeakPolarHBondContact O-CA 3.35Å; F387-F401 HydrophobicContact CB-CD1 3.99Å; F387-F401 HydrophobicContact CB-CE1 3.98Å; F387-F401 AromaticContact CD2-CD1 3.87Å; F387-F401 HydrophobicContact CD2-CD1 3.87Å; F387-F401 AromaticContact CD2-CE1 3.56Å; F387-F401 HydrophobicContact CD2-CE1 3.56Å; F387-F401 HydrophobicContact CD2-CE2 4.38Å; F387-F401 HydrophobicContact CD2-CG 4.42Å; F387-F401 AromaticContact CD2-CZ 3.83Å; F387-F401 HydrophobicContact CD2-CZ 3.83Å; F387-F401 HydrophobicContact CE2-CE1 4.45Å; F387-F401 HydrophobicContact CE2-CZ 4.31Å; F387-F401 HydrophobicContact CG-CD1 4.44Å; F387-F401 HydrophobicContact CG-CE1 4.17Å; F388-F401 VanDerWaalsContact CD2-C 3.5Å; M399-F401 HydrophobicContact CB-CD2 4.28Å; M399-F401 HydrophobicContact CB-CE2 3.45Å; M399-F401 VanDerWaalsContact CB-CE2 3.45Å; M399-F401 HydrophobicContact CB-CZ 4.01Å; M399-F401 HydrophobicContact SD-CE2 4.36Å; M399-F401 HydrophobicContact SD-CZ 4.14Å; F401-F481 HydrophobicContact CB-CZ 4.09Å; F401-F481 HydrophobicContact CD1-CE1 4.16Å; F401-F481 AromaticContact CD1-CZ 3.59Å; F401-F481 HydrophobicContact CD1-CZ 3.59Å; F401-F481 AromaticContact CD2-CE1 3.69Å; F401-F481 HydrophobicContact CD2-CE1 3.69Å; F401-F481 AromaticContact CD2-CZ 3.9Å; F401-F481 HydrophobicContact CD2-CZ 3.9Å; F401-F481 HydrophobicContact CE1-CE1 4.16Å; F401-F481 AromaticContact CE1-CZ 3.86Å; F401-F481 HydrophobicContact CE1-CZ 3.86Å; F401-F481 AromaticContact CE2-CE1 3.69Å; F401-F481 HydrophobicContact CE2-CE1 3.69Å; F401-F481 HydrophobicContact CE2-CZ 4.14Å; F401-F481 AromaticContact CG-CE1 3.92Å; F401-F481 HydrophobicContact CG-CE1 3.92Å; F401-F481 AromaticContact CG-CZ 3.61Å; F401-F481 HydrophobicContact CG-CZ 3.61Å; F401-F481 AromaticContact CZ-CE1 3.94Å; F401-F481 HydrophobicContact CZ-CE1 3.94Å; F401-F481 HydrophobicContact CZ-CZ 4.13Å
402	E	93.9	Very high	88.1	Confident	32 Å²	32	41.5 Å²	41.5	15%	0.15	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	143.2	167.1	68.5	-177.8	141	0	0	112.2	V385 R386 F388 M404 K477	V385-E402 WeakPolarHBondContact CA-OE1 3.38Å; V385-E402 HydrophobicContact CG1-CG 3.82Å; R386-E402 HydrophobicContact CB-CB 4.27Å; R386-E402 HydrophobicContact CB-CG 4Å; R386-E402 VanDerWaalsContact CB-OE1 3.31Å; R386-E402 WeakPolarHBondContact CB-OE1 3.31Å; R386-E402 PolarHBondContact N-OE1 3.22Å; R386-E402 PolarHBondContact O-N 3.48Å; F388-E402 HydrophobicContact CE2-CB 3.97Å; F388-E402 HydrophobicContact CZ-CB 4.28Å; E402-M404 HydrophobicContact CG-CG 4.44Å; E402-M404 HydrophobicContact CG-SD 4.15Å; E402-K477 WeakPolarHBondContact OE1-CD 2.98Å; E402-K477 WeakPolarHBondContact OE1-CE 3.4Å; E402-K477 IonicContact OE1-NZ 2.76Å; E402-K477 PolarHBondContact OE1-NZ 3.44Å; E402-K477 IonicContact OE2-NZ 3.96Å; E402-K477 PolarHBondContact OE2-NZ 2.97Å
403	Y	92.7	Very high	88.4	Confident	60 Å²	60	38.6 Å²	38.6	24%	0.235	19%	0.192	C	C	.	.			trans	-83.7	120.4	176.3	171.5	-125.8	0	0	0	110.9	L328 L338 L352 R405	L328-Y403 HydrophobicContact CD1-CD2 4.26Å; L328-Y403 HydrophobicContact CD1-CE2 4.16Å; L328-Y403 HydrophobicContact CD2-CE2 4.38Å; L338-Y403 HydrophobicContact CD1-CD1 3.66Å; L338-Y403 HydrophobicContact CD1-CD2 3.44Å; L338-Y403 VanDerWaalsContact CD1-CD2 3.44Å; L338-Y403 HydrophobicContact CD1-CE1 3.9Å; L338-Y403 HydrophobicContact CD1-CE2 3.73Å; L338-Y403 HydrophobicContact CD1-CG 3.41Å; L338-Y403 VanDerWaalsContact CD1-CG 3.41Å; L352-Y403 HydrophobicContact CB-CD1 4.1Å; L352-Y403 HydrophobicContact CD1-CD1 4.23Å; L352-Y403 HydrophobicContact CD1-CE1 4.43Å; Y403-R405 HydrophobicContact CE1-CB 4.41Å; Y403-R405 HydrophobicContact CE1-CG 4.49Å; Y403-R405 PolarHBondContact OH-O 2.86Å
404	M	91.4	Very high	88.9	Confident	10 Å²	10	39.1 Å²	39.1	5%	0.049	19%	0.189	C	C	.	.			trans	-99.4	100.4	178.7	-62.4	-67.1	-77.4	0	0	109.5	E402 H406 G407 L469 V470 G471 K477	E402-M404 HydrophobicContact CG-CG 4.44Å; E402-M404 HydrophobicContact CG-SD 4.15Å; M404-H406 VanDerWaalsContact C-N 3.28Å; M404-H406 PolarHBondContact O-N 2.87Å; M404-H406 VanDerWaalsContact O-N 3.1Å; M404-G407 PolarHBondContact O-N 2.91Å; M404-G407 VanDerWaalsContact O-N 3.09Å; M404-L469 HydrophobicContact CB-CB 3.68Å; M404-L469 HydrophobicContact CB-CD1 3.99Å; M404-L469 HydrophobicContact CB-CG 4.45Å; M404-L469 HydrophobicContact CE-CB 3.93Å; M404-L469 VanDerWaalsContact CE-O 3.3Å; M404-L469 WeakPolarHBondContact CE-O 3.48Å; M404-L469 HydrophobicContact CG-CB 3.65Å; M404-L469 HydrophobicContact CG-CD1 3.77Å; M404-L469 HydrophobicContact CG-CG 4.38Å; M404-V470 CarbonylContact C-O 3.59Å; M404-G471 VanDerWaalsContact CE-N 3.31Å; M404-K477 HydrophobicContact CE-CB 3.91Å; M404-K477 HydrophobicContact CE-CD 3.92Å; M404-K477 HydrophobicContact CE-CG 3.71Å; M404-K477 HydrophobicContact SD-CD 4.12Å
405	R	85.9	Confident	89.6	Confident	118 Å²	118	38 Å²	38	45%	0.445	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-41.7	-165.8	-167.6	-179.9	-168.3	175.1	8.3	115.1	Y403 D428 V470	Y403-R405 HydrophobicContact CE1-CB 4.41Å; Y403-R405 HydrophobicContact CE1-CG 4.49Å; Y403-R405 PolarHBondContact OH-O 2.86Å; R405-D428 IonicContact CZ-OD2 3.36Å; R405-D428 IonicContact NH1-OD2 3.17Å; R405-D428 PolarHBondContact NH1-OD2 3.31Å; R405-V470 PolarHBondContact N-O 3.39Å
406	H	86.3	Confident	90.1	Very high	53 Å²	53	31.7 Å²	31.7	25%	0.245	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	9.3	-171.8	-52.6	-72.8	0	0	0	113.9	M404 F412 V470 G471	M404-H406 VanDerWaalsContact C-N 3.28Å; M404-H406 PolarHBondContact O-N 2.87Å; M404-H406 VanDerWaalsContact O-N 3.1Å; H406-F412 HydrophobicContact CB-CD2 3.72Å; H406-F412 HydrophobicContact CB-CE2 4.04Å; H406-V470 HydrophobicContact CB-CB 4.06Å; H406-V470 HydrophobicContact CB-CG1 4.13Å; H406-V470 PolarHBondContact N-O 3.38Å; H406-G471 PolarHBondContact CD2-O 3.48Å
407	G	88.4	Confident	90.1	Very high	32 Å²	32	29.4 Å²	29.4	33%	0.33	14%	0.136	S	C	.	.			trans	73.1	-145.4	176.6	0	0	0	0	0	113.3	M404 L469 V470	M404-G407 PolarHBondContact O-N 2.91Å; M404-G407 VanDerWaalsContact O-N 3.09Å; G407-L469 CarbonylContact O-C 3.6Å; G407-L469 VanDerWaalsContact O-CA 3.31Å; G407-L469 WeakPolarHBondContact O-CA 3.5Å; G407-V470 PolarHBondContact O-N 2.88Å
408	D	90.4	Very high	89.7	Confident	21 Å²	21	33.2 Å²	33.2	11%	0.112	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-80.8	148.2	-178.4	73.5	96.5	0	0	0	113.3	N410 R411 F412 C468 L469 Y488	D408-N410 VanDerWaalsContact C-N 3.32Å; D408-N410 PolarHBondContact O-N 3.27Å; D408-N410 WeakPolarHBondContact OD1-CB 3.09Å; D408-N410 PolarHBondContact OD1-N 2.94Å; D408-R411 PolarHBondContact O-N 3.12Å; D408-R411 WeakPolarHBondContact OD1-CB 3.44Å; D408-R411 PolarHBondContact OD1-N 2.79Å; D408-R411 VanDerWaalsContact OD2-CB 3.29Å; D408-R411 WeakPolarHBondContact OD2-CB 3.47Å; D408-F412 WeakPolarHBondContact O-CB 3.41Å; D408-F412 PolarHBondContact O-N 3.46Å; D408-C468 CarbonylContact C-O 3.57Å; D408-C468 WeakPolarHBondContact CA-O 3.16Å; D408-L469 HydrophobicContact CB-CD2 4.19Å; D408-Y488 PolarHBondContact OD1-OH 3.44Å
409	L	94.3	Very high	89	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-67.1	-29.8	-175.9	178.1	64.5	0	0	0	112.4	F412 L413 V442 V446 T465 C468 V470 V476	L409-F412 HydrophobicContact CD1-CD1 4.22Å; L409-L413 HydrophobicContact CD1-CD1 4.1Å; L409-L413 HydrophobicContact CD1-CD2 4.47Å; L409-L413 HydrophobicContact CD1-CG 3.9Å; L409-L413 HydrophobicContact CG-CD1 3.86Å; L409-L413 HydrophobicContact CG-CG 4.18Å; L409-L413 VanDerWaalsContact O-CB 3.29Å; L409-L413 WeakPolarHBondContact O-CB 3.29Å; L409-L413 WeakPolarHBondContact O-CD1 3.33Å; L409-L413 WeakPolarHBondContact O-CG 3.29Å; L409-L413 PolarHBondContact O-N 3.37Å; L409-V442 HydrophobicContact CD1-CG1 3.82Å; L409-V442 HydrophobicContact CD2-CG1 3.78Å; L409-V442 HydrophobicContact CG-CG1 4.44Å; L409-V446 HydrophobicContact CD2-CG2 4.46Å; L409-T465 WeakPolarHBondContact CB-O 3.41Å; L409-T465 HydrophobicContact CD2-CG2 3.96Å; L409-T465 HydrophobicContact CG-CG2 4.23Å; L409-T465 PolarHBondContact N-O 3.32Å; L409-C468 HydrophobicContact CB-CB 3.82Å; L409-C468 HydrophobicContact CD2-CB 3.88Å; L409-C468 PolarHBondContact N-O 3.44Å; L409-V470 HydrophobicContact CB-CG2 3.86Å; L409-V470 HydrophobicContact CD1-CG2 3.64Å; L409-V470 HydrophobicContact CG-CG2 4.35Å; L409-V476 HydrophobicContact CD2-CG1 4.1Å
410	N	93	Very high	88.2	Confident	3 Å²	3	39.9 Å²	39.9	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-64.9	-48.2	177.3	-167.3	-91	0	0	0	110.9	D408 L413 R414 T465 R466 Y488 E531 G536	D408-N410 VanDerWaalsContact C-N 3.32Å; D408-N410 PolarHBondContact O-N 3.27Å; D408-N410 WeakPolarHBondContact OD1-CB 3.09Å; D408-N410 PolarHBondContact OD1-N 2.94Å; N410-L413 PolarHBondContact O-N 3.2Å; N410-R414 VanDerWaalsContact O-CG 3.3Å; N410-R414 WeakPolarHBondContact O-CG 3.4Å; N410-R414 PolarHBondContact O-N 3.2Å; N410-R414 WeakPolarHBondContact OD1-CD 3.27Å; N410-R414 PolarHBondContact OD1-NE 3.31Å; N410-T465 WeakPolarHBondContact CA-OG1 3.48Å; N410-T465 WeakPolarHBondContact CB-OG1 3.39Å; N410-T465 PolarHBondContact N-O 3.03Å; N410-T465 PolarHBondContact ND2-OG1 2.9Å; N410-R466 HydrophobicContact CB-CB 4.27Å; N410-Y488 HydrophobicContact CB-CE1 4.25Å; N410-Y488 WeakPolarHBondContact OD1-CE1 3.35Å; N410-E531 PolarHBondContact ND2-OE1 2.76Å; N410-E531 VanDerWaalsContact ND2-OE1 3.15Å; N410-G536 PolarHBondContact ND2-O 3.02Å; N410-G536 VanDerWaalsContact ND2-O 3.12Å
411	R	88.1	Confident	86.6	Confident	100 Å²	100	49.8 Å²	49.8	38%	0.377	24%	0.244	S	C	.	.	H	α-helix	trans	-63.4	-44.3	176.3	-170.4	179.8	-160.5	139.2	15.8	111.9	H109 D408 R414 S415	H109-R411 VanDerWaalsContact CB-NH2 3.31Å; H109-R411 PolarHBondContact ND1-NH2 3.27Å; D408-R411 PolarHBondContact O-N 3.12Å; D408-R411 WeakPolarHBondContact OD1-CB 3.44Å; D408-R411 PolarHBondContact OD1-N 2.79Å; D408-R411 VanDerWaalsContact OD2-CB 3.29Å; D408-R411 WeakPolarHBondContact OD2-CB 3.47Å; R411-R414 PolarHBondContact O-N 2.86Å; R411-S415 PolarHBondContact O-N 3.01Å
412	F	90.6	Very high	84.9	Confident	8 Å²	8	55.5 Å²	55.5	4%	0.035	28%	0.275	C	S	.	.	H	α-helix	trans	-59.3	-46	177	-178.5	-96.9	0	0	0	112.1	H406 D408 L409 R414 S415 H416 V429 L434 V470 L474	H406-F412 HydrophobicContact CB-CD2 3.72Å; H406-F412 HydrophobicContact CB-CE2 4.04Å; D408-F412 WeakPolarHBondContact O-CB 3.41Å; D408-F412 PolarHBondContact O-N 3.46Å; L409-F412 HydrophobicContact CD1-CD1 4.22Å; F412-R414 PolarHBondContact O-N 3.49Å; F412-S415 PolarHBondContact O-N 3Å; F412-S415 PolarHBondContact O-OG 3.03Å; F412-H416 AromaticContact CD2-CE1 3.74Å; F412-H416 AromaticContact CE2-CE1 3.25Å; F412-H416 WeakPolarHBondContact CE2-CE1 3.47Å; F412-H416 AromaticContact CE2-ND1 3.89Å; F412-H416 AromaticContact CZ-CE1 3.43Å; F412-H416 VanDerWaalsContact CZ-CE1 3.43Å; F412-H416 WeakPolarHBondContact CZ-CE1 3.42Å; F412-H416 AromaticContact CZ-ND1 3.86Å; F412-H416 AromaticContact CZ-NE2 3.94Å; F412-H416 PolarHBondContact O-N 2.87Å; F412-H416 PolarHBondContact O-ND1 2.75Å; F412-V429 HydrophobicContact CE2-CG2 4.5Å; F412-V429 HydrophobicContact CZ-CG1 4.18Å; F412-V429 HydrophobicContact CZ-CG2 4.24Å; F412-L434 HydrophobicContact CE1-CD1 3.98Å; F412-V470 HydrophobicContact CB-CG2 4.11Å; F412-V470 HydrophobicContact CD1-CG1 4.34Å; F412-V470 HydrophobicContact CD1-CG2 4.15Å; F412-V470 HydrophobicContact CD2-CG1 4.31Å; F412-V470 HydrophobicContact CE1-CG1 4.37Å; F412-V470 HydrophobicContact CE2-CG1 4.32Å; F412-V470 HydrophobicContact CG-CB 4.39Å; F412-V470 HydrophobicContact CG-CG1 4.32Å; F412-V470 HydrophobicContact CG-CG2 4.08Å; F412-V470 HydrophobicContact CZ-CG1 4.37Å; F412-L474 HydrophobicContact CE1-CD2 3.72Å; F412-L474 HydrophobicContact CE2-CD2 4.42Å; F412-L474 HydrophobicContact CZ-CD2 3.38Å
413	L	92.8	Very high	83.5	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-44.5	174.5	-75.4	166.8	0	0	0	111.3	L409 N410 S415 H416 G417 L434 L439 T465 I532 Y535	L409-L413 HydrophobicContact CD1-CD1 4.1Å; L409-L413 HydrophobicContact CD1-CD2 4.47Å; L409-L413 HydrophobicContact CD1-CG 3.9Å; L409-L413 HydrophobicContact CG-CD1 3.86Å; L409-L413 HydrophobicContact CG-CG 4.18Å; L409-L413 VanDerWaalsContact O-CB 3.29Å; L409-L413 WeakPolarHBondContact O-CB 3.29Å; L409-L413 WeakPolarHBondContact O-CD1 3.33Å; L409-L413 WeakPolarHBondContact O-CG 3.29Å; L409-L413 PolarHBondContact O-N 3.37Å; N410-L413 PolarHBondContact O-N 3.2Å; L413-S415 VanDerWaalsContact C-N 3.32Å; L413-S415 PolarHBondContact O-N 3.39Å; L413-H416 CarbonylContact O-C 3.52Å; L413-H416 PolarHBondContact O-N 3.25Å; L413-G417 PolarHBondContact O-N 3.39Å; L413-L434 HydrophobicContact CD2-CD1 4.25Å; L413-L439 HydrophobicContact CD2-CD2 4.19Å; L413-T465 HydrophobicContact CD1-CG2 3.95Å; L413-I532 HydrophobicContact CD1-CG1 4.11Å; L413-Y535 WeakPolarHBondContact O-CD1 3.33Å
414	R	90.1	Very high	81.9	Confident	116 Å²	116	58.4 Å²	58.4	44%	0.438	30%	0.298	S	S	.	.	H	α-helix	trans	-62.6	-34.6	179.4	-74.3	171.2	-179.9	-94.3	4.1	113.6	N410 R411 F412 H416 G417 Y535 G536	N410-R414 VanDerWaalsContact O-CG 3.3Å; N410-R414 WeakPolarHBondContact O-CG 3.4Å; N410-R414 PolarHBondContact O-N 3.2Å; N410-R414 WeakPolarHBondContact OD1-CD 3.27Å; N410-R414 PolarHBondContact OD1-NE 3.31Å; R411-R414 PolarHBondContact O-N 2.86Å; F412-R414 PolarHBondContact O-N 3.49Å; R414-H416 VanDerWaalsContact C-N 3.28Å; R414-H416 PolarHBondContact O-N 3.38Å; R414-G417 PolarHBondContact O-N 2.72Å; R414-Y535 WeakPolarHBondContact CG-O 3.28Å; R414-G536 PolarHBondContact NE-O 3.17Å; R414-G536 VanDerWaalsContact NE-O 3.14Å; R414-G536 PolarHBondContact NH2-O 3.44Å
415	S	85.6	Confident	80.2	Confident	31 Å²	31	59.4 Å²	59.4	22%	0.217	31%	0.311	C	S	.	.	H	α-helix	trans	-76.4	-15	178.5	69.7	0	0	0	0	113.9	R411 F412 L413	R411-S415 PolarHBondContact O-N 3.01Å; F412-S415 PolarHBondContact O-N 3Å; F412-S415 PolarHBondContact O-OG 3.03Å; L413-S415 VanDerWaalsContact C-N 3.32Å; L413-S415 PolarHBondContact O-N 3.39Å
416	H	86.9	Confident	79	Confident	4 Å²	4	56 Å²	56	2%	0.019	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	1.4	172.9	-63.7	81.2	0	0	0	112.1	F412 L413 R414 V429 G432 P433 L434 Y535	F412-H416 AromaticContact CD2-CE1 3.74Å; F412-H416 AromaticContact CE2-CE1 3.25Å; F412-H416 WeakPolarHBondContact CE2-CE1 3.47Å; F412-H416 AromaticContact CE2-ND1 3.89Å; F412-H416 AromaticContact CZ-CE1 3.43Å; F412-H416 VanDerWaalsContact CZ-CE1 3.43Å; F412-H416 WeakPolarHBondContact CZ-CE1 3.42Å; F412-H416 AromaticContact CZ-ND1 3.86Å; F412-H416 AromaticContact CZ-NE2 3.94Å; F412-H416 PolarHBondContact O-N 2.87Å; F412-H416 PolarHBondContact O-ND1 2.75Å; L413-H416 CarbonylContact O-C 3.52Å; L413-H416 PolarHBondContact O-N 3.25Å; R414-H416 VanDerWaalsContact C-N 3.28Å; R414-H416 PolarHBondContact O-N 3.38Å; H416-V429 WeakPolarHBondContact NE2-CG1 3.34Å; H416-G432 WeakPolarHBondContact CB-O 3.47Å; H416-G432 PolarHBondContact CD2-O 2.88Å; H416-G432 CarbonylContact O-C 3.51Å; H416-P433 VanDerWaalsContact O-CA 3.24Å; H416-P433 WeakPolarHBondContact O-CA 3.49Å; H416-L434 HydrophobicContact CB-CD2 4.36Å; H416-L434 HydrophobicContact CB-CG 4.01Å; H416-Y535 HydrophobicContact CB-CE1 4.43Å; H416-Y535 WeakPolarHBondContact O-CE1 3.41Å
417	G	83.6	Confident	77.7	Confident	8 Å²	8	62.4 Å²	62.4	8%	0.082	34%	0.342	C	S	.	.	S	Bend	trans	-74.8	158.9	-178.9	0	0	0	0	0	113.5	L413 R414 D419 A420	L413-G417 PolarHBondContact O-N 3.39Å; R414-G417 PolarHBondContact O-N 2.72Å; G417-D419 PolarHBondContact O-N 3.31Å; G417-A420 WeakPolarHBondContact O-CB 3.41Å; G417-A420 PolarHBondContact O-N 2.85Å
418	P	78.5	Confident	76.8	Confident	95 Å²	95	63.2 Å²	63.2	62%	0.617	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.8	174.9	27.8	-35.8	0	0	0	113.1	A420	P418-A420 VanDerWaalsContact C-N 3.31Å
419	D	76.1	Confident	75.8	Confident	114 Å²	114	62.6 Å²	62.6	61%	0.61	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	8	176.4	-55.3	-47.2	0	0	0	112.9	G417 K421 K537	G417-D419 PolarHBondContact O-N 3.31Å; D419-K421 PolarHBondContact O-N 2.84Å; D419-K537 WeakPolarHBondContact OD2-CE 3.44Å; D419-K537 IonicContact OD2-NZ 3.22Å; D419-K537 PolarHBondContact OD2-NZ 3.41Å
420	A	75.9	Confident	74.8	Confident	27 Å²	27	66.2 Å²	66.2	22%	0.223	37%	0.366	C	S	.	.			trans	-71.7	122.4	-177.9	0	0	0	0	0	111.9	G417 P418 L422	G417-A420 WeakPolarHBondContact O-CB 3.41Å; G417-A420 PolarHBondContact O-N 2.85Å; P418-A420 VanDerWaalsContact C-N 3.31Å; A420-L422 VanDerWaalsContact C-N 3.33Å
421	K	59.8	Low	73.9	Confident	207 Å²	207	70.1 Å²	70.1	90%	0.9	39%	0.391	S	S	*	.	S	Bend	trans	-76.7	-19.2	179	-64.3	-174.1	178.3	-175.8	0	114.3	D419	D419-K421 PolarHBondContact O-N 2.84Å
422	L	59.2	Low	73.2	Confident	127 Å²	127	65.6 Å²	65.6	67%	0.665	38%	0.376	S	S	*	.	S	Bend	trans	-137.4	130.5	176.2	-66.7	172.9	0	0	0	106.1	A420 A424	A420-L422 VanDerWaalsContact C-N 3.33Å; L422-A424 PolarHBondContact O-N 2.62Å
423	L	63.8	Low	72.8	Confident	127 Å²	127	69.6 Å²	69.6	67%	0.665	40%	0.403	S	S	*	.			trans	-77.1	110.1	175.6	-62.9	176.3	0	0	0	108.2	P431	L423-P431 HydrophobicContact CB-CB 4.06Å
424	A	58.3	Low	72.6	Confident	26 Å²	26	70.1 Å²	70.1	22%	0.215	41%	0.405	C	S	.	.			trans	-81.6	141.2	167.3	0	0	0	0	0	109.3	L422 P431	L422-A424 PolarHBondContact O-N 2.62Å; A424-P431 WeakPolarHBondContact O-CA 3.43Å
425	G	56.3	Low	72.6	Confident	30 Å²	30	66.2 Å²	66.2	31%	0.309	40%	0.402	S	S	.	.			trans	-174.8	158.8	174.2	0	0	0	0	0	110.4	V429	G425-V429 WeakPolarHBondContact CA-O 3.34Å
426	G	61	Low	72.8	Confident	46 Å²	46	66.7 Å²	66.7	47%	0.474	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-156	-174.2	179.8	0	0	0	0	0	110.5	D428 V429	G426-D428 PolarHBondContact O-N 2.94Å; G426-V429 PolarHBondContact N-O 3.23Å; G426-V429 CarbonylContact O-C 3.44Å; G426-V429 PolarHBondContact O-N 2.98Å; G426-V429 VanDerWaalsContact O-N 3.09Å
427	E	59.8	Low	73	Confident	189 Å²	189	68 Å²	68	88%	0.883	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-34.1	-177.6	-65.3	-175.9	127.4	0	0	113.5
428	D	68.9	Low	73.5	Confident	49 Å²	49	71 Å²	71	26%	0.262	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-18.4	-175.8	-53.5	-61.8	0	0	0	114.4	R405 G426 Q472	R405-D428 IonicContact CZ-OD2 3.36Å; R405-D428 IonicContact NH1-OD2 3.17Å; R405-D428 PolarHBondContact NH1-OD2 3.31Å; G426-D428 PolarHBondContact O-N 2.94Å; D428-Q472 WeakPolarHBondContact OD1-CG 3.46Å; D428-Q472 PolarHBondContact OD1-NE2 3Å
429	V	70.4	Confident	74.3	Confident	7 Å²	7	66.7 Å²	66.7	4%	0.042	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-147.7	122	-173.2	-169.8	0	0	0	0	111.2	F412 H416 G425 G426 L434 L474	F412-V429 HydrophobicContact CE2-CG2 4.5Å; F412-V429 HydrophobicContact CZ-CG1 4.18Å; F412-V429 HydrophobicContact CZ-CG2 4.24Å; H416-V429 WeakPolarHBondContact NE2-CG1 3.34Å; G425-V429 WeakPolarHBondContact CA-O 3.34Å; G426-V429 PolarHBondContact N-O 3.23Å; G426-V429 CarbonylContact O-C 3.44Å; G426-V429 PolarHBondContact O-N 2.98Å; G426-V429 VanDerWaalsContact O-N 3.09Å; V429-L434 HydrophobicContact CG1-CD2 4.2Å; V429-L474 HydrophobicContact CG1-CD2 4.22Å; V429-L474 HydrophobicContact CG2-CD2 3.58Å; V429-L474 HydrophobicContact CG2-CG 4.03Å
430	A	72.7	Confident	75.3	Confident	76 Å²	76	61.2 Å²	61.2	63%	0.628	37%	0.37	S	S	*	.			trans	-64	139.8	177.4	0	0	0	0	0	112.2
431	P	73.1	Confident	76.2	Confident	85 Å²	85	61.9 Å²	61.9	55%	0.552	38%	0.375	S	S	*	.	S	Bend	trans	-64	143.3	178.1	-14.7	25	0	0	0	113.2	L423 A424	L423-P431 HydrophobicContact CB-CB 4.06Å; A424-P431 WeakPolarHBondContact O-CA 3.43Å
432	G	74.7	Confident	78	Confident	6 Å²	6	52.1 Å²	52.1	6%	0.062	33%	0.333	C	S	.	.	S	Bend	trans	100.1	-164.2	175.3	0	0	0	0	0	114.7	H416 L434	H416-G432 WeakPolarHBondContact CB-O 3.47Å; H416-G432 PolarHBondContact CD2-O 2.88Å; H416-G432 CarbonylContact O-C 3.51Å; G432-L434 PolarHBondContact O-N 3.45Å
433	P	81.6	Confident	79.9	Confident	92 Å²	92	46 Å²	46	60%	0.597	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-58.9	132.6	-174.5	-27.3	36.9	0	0	0	114.6	H416	H416-P433 VanDerWaalsContact O-CA 3.24Å; H416-P433 WeakPolarHBondContact O-CA 3.49Å
434	L	88.2	Confident	81.5	Confident	10 Å²	10	40.7 Å²	40.7	5%	0.052	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-70.2	137	175.5	-59.9	176.2	0	0	0	110.5	F412 L413 H416 V429 G432 Q438 L439 Y535	F412-L434 HydrophobicContact CE1-CD1 3.98Å; L413-L434 HydrophobicContact CD2-CD1 4.25Å; H416-L434 HydrophobicContact CB-CD2 4.36Å; H416-L434 HydrophobicContact CB-CG 4.01Å; V429-L434 HydrophobicContact CG1-CD2 4.2Å; G432-L434 PolarHBondContact O-N 3.45Å; L434-Q438 HydrophobicContact CB-CB 4.32Å; L434-L439 HydrophobicContact CB-CD2 3.91Å; L434-L439 HydrophobicContact CB-CG 4.15Å; L434-L439 HydrophobicContact CD1-CD2 3.98Å; L434-Y535 HydrophobicContact CB-CE1 4.24Å; L434-Y535 HydrophobicContact CG-CE1 4.32Å; L434-Y535 PolarHBondContact N-OH 3.43Å; L434-Y535 VanDerWaalsContact N-OH 3.09Å; L434-Y535 PolarHBondContact O-OH 2.99Å
435	G	89.4	Confident	83.4	Confident	35 Å²	35	41 Å²	41	36%	0.361	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-65.3	152.7	174.9	0	0	0	0	0	112.1	G437 Q438 L439	G435-G437 PolarHBondContact O-N 3.3Å; G435-G437 VanDerWaalsContact O-N 3.15Å; G435-Q438 WeakPolarHBondContact O-CA 3.11Å; G435-Q438 WeakPolarHBondContact O-CB 3.3Å; G435-Q438 PolarHBondContact O-N 3.32Å; G435-L439 PolarHBondContact O-N 3.36Å
436	L	91.1	Very high	85.5	Confident	40 Å²	40	39.5 Å²	39.5	21%	0.209	26%	0.257	C	S	.	.	H	α-helix	trans	-51.7	-41.4	179.7	175.3	59.7	0	0	0	112.9	Q438 L439 L440 F533 P565 P600 P601	L436-Q438 VanDerWaalsContact C-N 3.32Å; L436-Q438 PolarHBondContact O-N 3.33Å; L436-L439 PolarHBondContact O-N 3.09Å; L436-L440 HydrophobicContact CD1-CD1 3.94Å; L436-L440 HydrophobicContact CD1-CG 4.1Å; L436-L440 HydrophobicContact CG-CD1 3.87Å; L436-L440 HydrophobicContact CG-CG 4.47Å; L436-L440 WeakPolarHBondContact O-CB 3.42Å; L436-L440 VanDerWaalsContact O-CG 3.31Å; L436-L440 WeakPolarHBondContact O-CG 3.46Å; L436-L440 PolarHBondContact O-N 3.2Å; L436-F533 HydrophobicContact CD1-CE1 3.57Å; L436-F533 HydrophobicContact CD1-CZ 3.94Å; L436-P565 HydrophobicContact CD1-CG 3.76Å; L436-P565 HydrophobicContact CD2-CG 3.88Å; L436-P600 HydrophobicContact CD2-CB 4.22Å; L436-P600 HydrophobicContact CG-CB 4.37Å; L436-P601 HydrophobicContact CD2-CG 4.18Å; L436-P601 VanDerWaalsContact CD2-O 3.22Å; L436-P601 WeakPolarHBondContact CD2-O 3.4Å
437	G	91.4	Very high	87.3	Confident	31 Å²	31	37.3 Å²	37.3	32%	0.32	23%	0.234	S	C	.	.	H	α-helix	trans	-62	-35.7	175.7	0	0	0	0	0	113.6	G435 A441	G435-G437 PolarHBondContact O-N 3.3Å; G435-G437 VanDerWaalsContact O-N 3.15Å; G437-A441 VanDerWaalsContact O-CB 3.32Å; G437-A441 WeakPolarHBondContact O-CB 3.45Å; G437-A441 PolarHBondContact O-N 3.47Å
438	Q	92.9	Very high	89.1	Confident	72 Å²	72	29 Å²	29	34%	0.336	20%	0.197	S	C	.	.	H	α-helix	trans	-70.4	-43.4	175.4	-66.6	169.4	-54.7	0	0	111.1	L434 G435 L436 L440 A441 V442 L474	L434-Q438 HydrophobicContact CB-CB 4.32Å; G435-Q438 WeakPolarHBondContact O-CA 3.11Å; G435-Q438 WeakPolarHBondContact O-CB 3.3Å; G435-Q438 PolarHBondContact O-N 3.32Å; L436-Q438 VanDerWaalsContact C-N 3.32Å; L436-Q438 PolarHBondContact O-N 3.33Å; Q438-L440 VanDerWaalsContact C-N 3.33Å; Q438-L440 PolarHBondContact O-N 2.79Å; Q438-A441 PolarHBondContact O-N 3.41Å; Q438-V442 VanDerWaalsContact O-CG2 3.32Å; Q438-V442 WeakPolarHBondContact O-CG2 3.43Å; Q438-V442 PolarHBondContact O-N 3.22Å; Q438-L474 HydrophobicContact CB-CD1 4.3Å; Q438-L474 HydrophobicContact CG-CD1 3.99Å
439	L	95.8	Very high	90.5	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-60.8	-41.4	175.4	-64.1	176.2	0	0	0	111.9	L413 L434 G435 L436 A443 I532 F533 Y535	L413-L439 HydrophobicContact CD2-CD2 4.19Å; L434-L439 HydrophobicContact CB-CD2 3.91Å; L434-L439 HydrophobicContact CB-CG 4.15Å; L434-L439 HydrophobicContact CD1-CD2 3.98Å; G435-L439 PolarHBondContact O-N 3.36Å; L436-L439 PolarHBondContact O-N 3.09Å; L439-A443 WeakPolarHBondContact O-CB 3.25Å; L439-A443 PolarHBondContact O-N 3.26Å; L439-I532 HydrophobicContact CB-CG2 3.99Å; L439-I532 HydrophobicContact CD2-CG2 3.81Å; L439-I532 HydrophobicContact CG-CG2 4.46Å; L439-F533 HydrophobicContact CB-CE1 4.34Å; L439-F533 HydrophobicContact CB-CE2 4.32Å; L439-F533 HydrophobicContact CB-CZ 4.02Å; L439-F533 HydrophobicContact CD1-CD1 4.28Å; L439-F533 HydrophobicContact CD1-CE1 4.22Å; L439-Y535 HydrophobicContact CD2-CE1 4.44Å
440	L	96.5	Very high	91.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.5	-39.8	174.3	-71.6	167.4	0	0	0	112.2	L436 Q438 A443 S444 F533 V568 L593 L596 A597 P600	L436-L440 HydrophobicContact CD1-CD1 3.94Å; L436-L440 HydrophobicContact CD1-CG 4.1Å; L436-L440 HydrophobicContact CG-CD1 3.87Å; L436-L440 HydrophobicContact CG-CG 4.47Å; L436-L440 WeakPolarHBondContact O-CB 3.42Å; L436-L440 VanDerWaalsContact O-CG 3.31Å; L436-L440 WeakPolarHBondContact O-CG 3.46Å; L436-L440 PolarHBondContact O-N 3.2Å; Q438-L440 VanDerWaalsContact C-N 3.33Å; Q438-L440 PolarHBondContact O-N 2.79Å; L440-A443 PolarHBondContact O-N 3.14Å; L440-S444 WeakPolarHBondContact O-CB 3.35Å; L440-S444 PolarHBondContact O-N 3.01Å; L440-F533 HydrophobicContact CD2-CZ 4.11Å; L440-F533 HydrophobicContact CG-CZ 4.31Å; L440-V568 HydrophobicContact CD2-CG2 3.83Å; L440-L593 HydrophobicContact CD2-CD2 4.21Å; L440-L596 HydrophobicContact CD1-CB 4.12Å; L440-L596 WeakPolarHBondContact CD1-O 3.44Å; L440-L596 HydrophobicContact CD2-CB 4Å; L440-L596 HydrophobicContact CD2-CD1 4.49Å; L440-A597 HydrophobicContact CB-CB 4.04Å; L440-P600 HydrophobicContact CD1-CB 4.27Å
441	A	95.8	Very high	93.1	Very high	40 Å²	40	24.5 Å²	24.5	33%	0.331	16%	0.164	S	C	.	.	H	α-helix	trans	-64.5	-44.5	175.6	0	0	0	0	0	111.7	G437 Q438 A443 S444 Q445	G437-A441 VanDerWaalsContact O-CB 3.32Å; G437-A441 WeakPolarHBondContact O-CB 3.45Å; G437-A441 PolarHBondContact O-N 3.47Å; Q438-A441 PolarHBondContact O-N 3.41Å; A441-A443 PolarHBondContact O-N 2.99Å; A441-S444 PolarHBondContact O-N 2.76Å; A441-Q445 VanDerWaalsContact O-CG 3.27Å; A441-Q445 WeakPolarHBondContact O-CG 3.24Å; A441-Q445 PolarHBondContact O-N 3.13Å; A441-Q445 PolarHBondContact O-NE2 2.8Å
442	V	97.6	Very high	94.3	Very high	2 Å²	2	23 Å²	23	1%	0.012	15%	0.147	C	C	.	.	H	α-helix	trans	-55.2	-50.2	172.3	164.7	0	0	0	0	110.7	L409 Q438 S444 Q445 V446 V476 I532	L409-V442 HydrophobicContact CD1-CG1 3.82Å; L409-V442 HydrophobicContact CD2-CG1 3.78Å; L409-V442 HydrophobicContact CG-CG1 4.44Å; Q438-V442 VanDerWaalsContact O-CG2 3.32Å; Q438-V442 WeakPolarHBondContact O-CG2 3.43Å; Q438-V442 PolarHBondContact O-N 3.22Å; V442-S444 PolarHBondContact O-N 2.81Å; V442-Q445 PolarHBondContact O-N 3.14Å; V442-V446 PolarHBondContact O-N 2.85Å; V442-V476 HydrophobicContact CB-CG2 4.34Å; V442-V476 HydrophobicContact CG1-CG2 4.18Å; V442-V476 HydrophobicContact CG2-CG2 3.94Å; V442-I532 HydrophobicContact CG1-CD1 3.87Å; V442-I532 HydrophobicContact CG1-CG1 4.08Å; V442-I532 HydrophobicContact CG1-CG2 4.48Å
443	A	98.4	Very high	95.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62	-42.8	178.7	0	0	0	0	0	112.9	L439 L440 A441 Q445 V446 A447 L529 I532 L593	L439-A443 WeakPolarHBondContact O-CB 3.25Å; L439-A443 PolarHBondContact O-N 3.26Å; L440-A443 PolarHBondContact O-N 3.14Å; A441-A443 PolarHBondContact O-N 2.99Å; A443-Q445 PolarHBondContact O-N 3.39Å; A443-V446 PolarHBondContact O-N 2.83Å; A443-A447 WeakPolarHBondContact O-CB 3.25Å; A443-A447 PolarHBondContact O-N 2.71Å; A443-L529 HydrophobicContact CB-CD1 3.43Å; A443-L529 VanDerWaalsContact CB-CD1 3.43Å; A443-I532 HydrophobicContact CB-CD1 3.98Å; A443-L593 HydrophobicContact CB-CD1 4.12Å; A443-L593 HydrophobicContact CB-CD2 4.24Å
444	S	98.4	Very high	95.8	Very high	15 Å²	15	19.6 Å²	19.6	11%	0.105	13%	0.126	C	C	.	.	H	α-helix	trans	-64.2	-39.1	179.2	-161.4	0	0	0	0	111.9	L440 A441 V442 A447 A448 H590	L440-S444 WeakPolarHBondContact O-CB 3.35Å; L440-S444 PolarHBondContact O-N 3.01Å; A441-S444 PolarHBondContact O-N 2.76Å; V442-S444 PolarHBondContact O-N 2.81Å; S444-A447 PolarHBondContact O-N 3.2Å; S444-A448 WeakPolarHBondContact O-CB 3.25Å; S444-A448 PolarHBondContact O-N 2.74Å; S444-H590 PolarHBondContact O-CD2 2.96Å; S444-H590 VanDerWaalsContact O-CD2 3.27Å; S444-H590 PolarHBondContact OG-CD2 2.9Å; S444-H590 PolarHBondContact OG-NE2 3.38Å
445	Q	98.6	Very high	96.2	Very high	31 Å²	31	21.5 Å²	21.5	15%	0.145	15%	0.148	C	C	.	.	H	α-helix	trans	-64.2	-44.9	177	-72.1	-178.1	84.8	0	0	112.1	H383 A441 V442 A443 A447 A448 G449 L474 V476	H383-Q445 VanDerWaalsContact CB-O 3.3Å; H383-Q445 WeakPolarHBondContact CB-O 3.44Å; H383-Q445 VanDerWaalsContact CE1-CG 3.43Å; H383-Q445 WeakPolarHBondContact CE1-CG 3.14Å; H383-Q445 PolarHBondContact CE1-OE1 3.31Å; A441-Q445 VanDerWaalsContact O-CG 3.27Å; A441-Q445 WeakPolarHBondContact O-CG 3.24Å; A441-Q445 PolarHBondContact O-N 3.13Å; A441-Q445 PolarHBondContact O-NE2 2.8Å; V442-Q445 PolarHBondContact O-N 3.14Å; A443-Q445 PolarHBondContact O-N 3.39Å; Q445-A447 VanDerWaalsContact C-N 3.34Å; Q445-A447 PolarHBondContact O-N 3.07Å; Q445-A448 PolarHBondContact O-N 3.14Å; Q445-G449 PolarHBondContact O-N 2.85Å; Q445-L474 PolarHBondContact NE2-O 3.22Å; Q445-V476 HydrophobicContact CB-CB 4.11Å
446	V	98.6	Very high	96.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.9	-42	174	179.5	0	0	0	0	110.8	L409 V442 A443 A448 G449 M450 L463 V476 I478 F525 V528	L409-V446 HydrophobicContact CD2-CG2 4.46Å; V442-V446 PolarHBondContact O-N 2.85Å; A443-V446 PolarHBondContact O-N 2.83Å; V446-A448 VanDerWaalsContact C-N 3.34Å; V446-A448 PolarHBondContact O-N 3.24Å; V446-G449 PolarHBondContact O-N 3.37Å; V446-M450 PolarHBondContact O-N 2.86Å; V446-L463 HydrophobicContact CG1-CD1 4.21Å; V446-V476 HydrophobicContact CG2-CG1 3.64Å; V446-I478 HydrophobicContact CG1-CD1 4.26Å; V446-I478 HydrophobicContact CG1-CG1 4.24Å; V446-F525 HydrophobicContact CB-CE2 4.1Å; V446-F525 HydrophobicContact CG1-CD2 4.05Å; V446-F525 HydrophobicContact CG1-CE2 3.93Å; V446-V528 HydrophobicContact CG1-CG1 4.34Å
447	A	98.8	Very high	96.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.6	-41.1	176.5	0	0	0	0	0	112.1	A443 S444 Q445 G449 M450 V451 F525 H590 L593	A443-A447 WeakPolarHBondContact O-CB 3.25Å; A443-A447 PolarHBondContact O-N 2.71Å; S444-A447 PolarHBondContact O-N 3.2Å; Q445-A447 VanDerWaalsContact C-N 3.34Å; Q445-A447 PolarHBondContact O-N 3.07Å; A447-G449 PolarHBondContact O-N 3.12Å; A447-M450 PolarHBondContact O-N 2.97Å; A447-V451 WeakPolarHBondContact O-CG2 3.46Å; A447-V451 PolarHBondContact O-N 3.43Å; A447-F525 HydrophobicContact CB-CE1 4.48Å; A447-F525 HydrophobicContact CB-CE2 3.76Å; A447-F525 HydrophobicContact CB-CZ 3.69Å; A447-H590 HydrophobicContact CB-CB 3.85Å; A447-L593 HydrophobicContact CB-CD1 4.1Å
448	A	98.6	Very high	96.3	Very high	13 Å²	13	31.5 Å²	31.5	11%	0.107	18%	0.177	C	C	.	.	H	α-helix	trans	-62.1	-40.3	175	0	0	0	0	0	112.4	H381 S444 Q445 V446 V451 Y452	H381-A448 PolarHBondContact CE1-O 2.93Å; S444-A448 WeakPolarHBondContact O-CB 3.25Å; S444-A448 PolarHBondContact O-N 2.74Å; Q445-A448 PolarHBondContact O-N 3.14Å; V446-A448 VanDerWaalsContact C-N 3.34Å; V446-A448 PolarHBondContact O-N 3.24Å; A448-V451 PolarHBondContact O-N 3.15Å; A448-Y452 PolarHBondContact O-N 3.24Å
449	G	98.1	Very high	96.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.5	-44.9	171.7	0	0	0	0	0	112.4	Q445 V446 A447 Y452 L453	Q445-G449 PolarHBondContact O-N 2.85Å; V446-G449 PolarHBondContact O-N 3.37Å; A447-G449 PolarHBondContact O-N 3.12Å; G449-Y452 WeakPolarHBondContact O-CB 3.39Å; G449-Y452 PolarHBondContact O-N 2.9Å; G449-L453 PolarHBondContact O-N 3.34Å; G449-L453 VanDerWaalsContact O-N 3.12Å
450	M	98.4	Very high	96.1	Very high	6 Å²	6	29.5 Å²	29.5	3%	0.03	17%	0.17	C	C	.	.	H	α-helix	trans	-70.1	-30.1	177.5	-69.1	-54.4	-49.3	0	0	113.8	V446 A447 Y452 L453 A454 H460 L463 I478 D521 I586	V446-M450 PolarHBondContact O-N 2.86Å; A447-M450 PolarHBondContact O-N 2.97Å; M450-Y452 VanDerWaalsContact C-N 3.31Å; M450-Y452 PolarHBondContact O-N 2.9Å; M450-L453 HydrophobicContact CE-CB 4.49Å; M450-L453 HydrophobicContact CE-CD1 4.33Å; M450-L453 PolarHBondContact O-N 3.14Å; M450-L453 HydrophobicContact SD-CD1 3.9Å; M450-A454 VanDerWaalsContact O-CB 3.27Å; M450-A454 WeakPolarHBondContact O-CB 3.35Å; M450-A454 PolarHBondContact O-N 3.09Å; M450-H460 HydrophobicContact CE-CB 4.3Å; M450-H460 HydrophobicContact SD-CB 4.46Å; M450-L463 HydrophobicContact CE-CD2 4.3Å; M450-L463 HydrophobicContact CG-CD1 4.26Å; M450-L463 HydrophobicContact CG-CD2 3.67Å; M450-L463 HydrophobicContact SD-CD1 3.83Å; M450-L463 HydrophobicContact SD-CD2 3.69Å; M450-L463 HydrophobicContact SD-CG 4.27Å; M450-I478 HydrophobicContact CG-CD1 3.69Å; M450-I478 HydrophobicContact SD-CD1 3.57Å; M450-I478 VanDerWaalsContact SD-CD1 3.57Å; M450-D521 HydrophobicContact CE-CB 3.59Å; M450-I586 HydrophobicContact CB-CD1 3.93Å; M450-I586 HydrophobicContact CB-CG1 3.63Å
451	V	98.6	Very high	95.9	Very high	33 Å²	33	32 Å²	32	20%	0.2	18%	0.179	C	C	.	.	H	α-helix	trans	-60.3	-41.6	170.2	167.7	0	0	0	0	111	A447 A448 G455 I586 K587 H590	A447-V451 WeakPolarHBondContact O-CG2 3.46Å; A447-V451 PolarHBondContact O-N 3.43Å; A448-V451 PolarHBondContact O-N 3.15Å; V451-G455 PolarHBondContact O-N 3.12Å; V451-G455 VanDerWaalsContact O-N 3.07Å; V451-I586 HydrophobicContact CG2-CB 4.5Å; V451-I586 HydrophobicContact CG2-CG1 4.13Å; V451-I586 HydrophobicContact CG2-CG2 4.02Å; V451-K587 HydrophobicContact CG1-CG 3.95Å; V451-K587 HydrophobicContact CG2-CG 4.04Å; V451-H590 HydrophobicContact CG2-CB 3.94Å
452	Y	98.1	Very high	95.7	Very high	52 Å²	52	30.7 Å²	30.7	20%	0.204	17%	0.167	C	C	.	.	H	α-helix	trans	-65	-50.8	176.4	172.2	-97.8	0	0	0	111.8	M378 L379 Q380 H381 I384 A448 G449 M450 A454 G455 L456	M378-Y452 PolarHBondContact O-OH 3.34Å; L379-Y452 HydrophobicContact CD2-CE1 4.14Å; Q380-Y452 PolarHBondContact N-OH 3.2Å; Q380-Y452 PolarHBondContact O-OH 3.31Å; H381-Y452 HydrophobicContact CB-CD1 3.56Å; H381-Y452 HydrophobicContact CB-CD2 3.73Å; H381-Y452 HydrophobicContact CB-CE1 3.69Å; H381-Y452 HydrophobicContact CB-CE2 3.85Å; H381-Y452 HydrophobicContact CB-CG 3.57Å; H381-Y452 AromaticContact CD2-CD2 3.72Å; H381-Y452 AromaticContact CD2-CG 3.87Å; H381-Y452 AromaticContact CG-CD1 3.97Å; H381-Y452 AromaticContact CG-CD2 3.76Å; H381-Y452 AromaticContact CG-CG 3.53Å; H381-Y452 AromaticContact ND1-CG 3.95Å; I384-Y452 HydrophobicContact CG1-CD1 3.84Å; I384-Y452 HydrophobicContact CG1-CE1 4.22Å; A448-Y452 PolarHBondContact O-N 3.24Å; G449-Y452 WeakPolarHBondContact O-CB 3.39Å; G449-Y452 PolarHBondContact O-N 2.9Å; M450-Y452 VanDerWaalsContact C-N 3.31Å; M450-Y452 PolarHBondContact O-N 2.9Å; Y452-A454 PolarHBondContact O-N 2.94Å; Y452-G455 WeakPolarHBondContact O-CA 3.25Å; Y452-G455 PolarHBondContact O-N 3.47Å; Y452-G455 VanDerWaalsContact O-N 3.08Å; Y452-L456 HydrophobicContact CD1-CD1 4.42Å; Y452-L456 HydrophobicContact CE1-CD1 3.71Å; Y452-L456 HydrophobicContact CE2-CD1 4.16Å; Y452-L456 PolarHBondContact O-N 2.87Å
453	L	95.1	Very high	95.6	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.026	17%	0.166	C	C	.	.	H	α-helix	trans	-59.4	-45.8	179.1	-64.7	180	0	0	0	112.2	L379 I384 G449 M450 G455 L456 H457 F458	L379-L453 HydrophobicContact CD1-CD2 4.29Å; L379-L453 HydrophobicContact CD2-CD2 3.84Å; I384-L453 HydrophobicContact CD1-CD1 3.94Å; I384-L453 HydrophobicContact CD1-CD2 3.93Å; I384-L453 HydrophobicContact CD1-CG 3.83Å; I384-L453 HydrophobicContact CG1-CD2 4.42Å; G449-L453 PolarHBondContact O-N 3.34Å; G449-L453 VanDerWaalsContact O-N 3.12Å; M450-L453 HydrophobicContact CE-CB 4.49Å; M450-L453 HydrophobicContact CE-CD1 4.33Å; M450-L453 PolarHBondContact O-N 3.14Å; M450-L453 HydrophobicContact SD-CD1 3.9Å; L453-G455 VanDerWaalsContact C-N 3.26Å; L453-G455 PolarHBondContact O-N 2.88Å; L453-L456 CarbonylContact O-C 3.59Å; L453-L456 PolarHBondContact O-N 3.42Å; L453-H457 PolarHBondContact O-N 3.15Å; L453-F458 CarbonylContact C-O 3.37Å; L453-F458 HydrophobicContact CB-CB 4.23Å; L453-F458 HydrophobicContact CB-CD1 4.29Å; L453-F458 HydrophobicContact CD1-CD1 4.17Å; L453-F458 HydrophobicContact CD2-CB 4.33Å; L453-F458 HydrophobicContact CD2-CD1 3.87Å; L453-F458 HydrophobicContact CD2-CG 4.23Å; L453-F458 HydrophobicContact CG-CD1 4.32Å; L453-F458 WeakPolarHBondContact O-CB 3.07Å; L453-F458 PolarHBondContact O-N 3.04Å
454	A	94.5	Very high	95.5	Very high	23 Å²	23	30.6 Å²	30.6	19%	0.19	17%	0.166	C	C	.	.	H	α-helix	trans	-62.4	-32.8	176.2	0	0	0	0	0	112.7	M450 Y452 L456 H457 T518 I586	M450-A454 VanDerWaalsContact O-CB 3.27Å; M450-A454 WeakPolarHBondContact O-CB 3.35Å; M450-A454 PolarHBondContact O-N 3.09Å; Y452-A454 PolarHBondContact O-N 2.94Å; A454-L456 PolarHBondContact O-N 2.92Å; A454-H457 PolarHBondContact O-N 3.06Å; A454-H457 VanDerWaalsContact O-N 3.13Å; A454-T518 HydrophobicContact CB-CG2 3.7Å; A454-I586 HydrophobicContact CB-CG2 3.93Å
455	G	95.4	Very high	95.4	Very high	50 Å²	50	29.9 Å²	29.9	52%	0.515	16%	0.161	S	C	.	.	H	α-helix	trans	-66.1	-22.5	173.8	0	0	0	0	0	114.4	V451 Y452 L453	V451-G455 PolarHBondContact O-N 3.12Å; V451-G455 VanDerWaalsContact O-N 3.07Å; Y452-G455 WeakPolarHBondContact O-CA 3.25Å; Y452-G455 PolarHBondContact O-N 3.47Å; Y452-G455 VanDerWaalsContact O-N 3.08Å; L453-G455 VanDerWaalsContact C-N 3.26Å; L453-G455 PolarHBondContact O-N 2.88Å
456	L	92.3	Very high	95.1	Very high	90 Å²	90	28.6 Å²	28.6	47%	0.471	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	7.2	173.3	-62.2	179.4	0	0	0	113	L379 Y452 L453 A454 F458	L379-L456 HydrophobicContact CD2-CD1 3.68Å; Y452-L456 HydrophobicContact CD1-CD1 4.42Å; Y452-L456 HydrophobicContact CE1-CD1 3.71Å; Y452-L456 HydrophobicContact CE2-CD1 4.16Å; Y452-L456 PolarHBondContact O-N 2.87Å; L453-L456 CarbonylContact O-C 3.59Å; L453-L456 PolarHBondContact O-N 3.42Å; A454-L456 PolarHBondContact O-N 2.92Å; L456-F458 PolarHBondContact O-N 2.81Å
457	H	91.8	Very high	94.8	Very high	167 Å²	167	28.7 Å²	28.7	77%	0.773	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	23.8	-169.4	-55.2	-66.1	0	0	0	114.1	L453 A454	L453-H457 PolarHBondContact O-N 3.15Å; A454-H457 PolarHBondContact O-N 3.06Å; A454-H457 VanDerWaalsContact O-N 3.13Å
458	F	89.9	Confident	94.6	Very high	59 Å²	59	28.7 Å²	28.7	26%	0.259	16%	0.155	S	C	.	.			trans	-82.5	129	175.1	-170	-84.6	0	0	0	109.9	L379 L453 L456	L379-F458 HydrophobicContact CD1-CD2 4.21Å; L379-F458 HydrophobicContact CD1-CE2 3.94Å; L379-F458 HydrophobicContact CD1-CZ 4.1Å; L379-F458 HydrophobicContact CD2-CD2 4.5Å; L453-F458 CarbonylContact C-O 3.37Å; L453-F458 HydrophobicContact CB-CB 4.23Å; L453-F458 HydrophobicContact CB-CD1 4.29Å; L453-F458 HydrophobicContact CD1-CD1 4.17Å; L453-F458 HydrophobicContact CD2-CB 4.33Å; L453-F458 HydrophobicContact CD2-CD1 3.87Å; L453-F458 HydrophobicContact CD2-CG 4.23Å; L453-F458 HydrophobicContact CG-CD1 4.32Å; L453-F458 WeakPolarHBondContact O-CB 3.07Å; L453-F458 PolarHBondContact O-N 3.04Å; L456-F458 PolarHBondContact O-N 2.81Å
459	V	92.9	Very high	94.4	Very high	29 Å²	29	28.6 Å²	28.6	18%	0.176	15%	0.153	C	C	.	.			trans	-111.4	120.3	179.1	-174.5	0	0	0	0	108.7	R461 F516 T517 D521	V459-R461 HydrophobicContact CB-CG 4.4Å; V459-R461 HydrophobicContact CG1-CG 3.77Å; V459-F516 HydrophobicContact CG1-CB 4.26Å; V459-T517 WeakPolarHBondContact CG1-O 3.37Å; V459-D521 VanDerWaalsContact CA-OD2 3.3Å; V459-D521 WeakPolarHBondContact CA-OD2 3.25Å; V459-D521 WeakPolarHBondContact CG1-OD2 3.41Å
460	H	92.8	Very high	94.3	Very high	5 Å²	5	28.7 Å²	28.7	2%	0.023	15%	0.153	C	C	.	.			trans	-77.1	-38.8	-173.6	-170.6	-21.6	0	0	0	113	M281 M450 D462 I478 D521	M281-H460 WeakPolarHBondContact CE-O 3.21Å; M450-H460 HydrophobicContact CE-CB 4.3Å; M450-H460 HydrophobicContact SD-CB 4.46Å; H460-D462 PolarHBondContact O-N 3.26Å; H460-I478 VanDerWaalsContact CD2-CG2 3.47Å; H460-I478 WeakPolarHBondContact CD2-CG2 3.23Å; H460-I478 VanDerWaalsContact NE2-CG2 3.3Å; H460-I478 WeakPolarHBondContact NE2-CG2 3.31Å; H460-D521 PolarHBondContact N-OD1 2.98Å; H460-D521 PolarHBondContact N-OD2 3.09Å
461	R	91.5	Very high	93.8	Very high	53 Å²	53	28.7 Å²	28.7	20%	0.2	16%	0.155	C	C	.	.	S	Bend	trans	65.2	-17	175.3	-44.8	179.2	-178.5	177.2	-1.1	117.6	S277 M281 V459 F516 D521	S277-R461 PolarHBondContact O-NH1 3.31Å; S277-R461 PolarHBondContact OG-NH2 2.98Å; M281-R461 HydrophobicContact SD-CB 3.92Å; V459-R461 HydrophobicContact CB-CG 4.4Å; V459-R461 HydrophobicContact CG1-CG 3.77Å; R461-F516 HydrophobicContact CB-CD1 3.91Å; R461-F516 HydrophobicContact CB-CE1 4.26Å; R461-F516 HydrophobicContact CG-CB 3.99Å; R461-F516 HydrophobicContact CG-CD1 3.88Å; R461-F516 HydrophobicContact CG-CG 4.05Å; R461-D521 PolarHBondContact N-OD1 2.93Å
462	D	91.7	Very high	93.3	Very high	12 Å²	12	32.8 Å²	32.8	6%	0.064	17%	0.172	C	C	.	.			trans	-135	40.2	176.2	-165.2	10.7	0	0	0	110.9	H460 A464 R466 N467 Y492 P502	H460-D462 PolarHBondContact O-N 3.26Å; D462-A464 PolarHBondContact O-N 2.94Å; D462-R466 IonicContact OD1-CZ 2.72Å; D462-R466 IonicContact OD1-NH2 2.69Å; D462-R466 PolarHBondContact OD1-NH2 3.34Å; D462-N467 VanDerWaalsContact CG-ND2 3.33Å; D462-N467 PolarHBondContact O-ND2 3.02Å; D462-N467 PolarHBondContact OD2-ND2 3.42Å; D462-Y492 PolarHBondContact OD1-OH 2.88Å; D462-Y492 WeakPolarHBondContact OD2-CE1 3.34Å; D462-Y492 PolarHBondContact OD2-OH 3.32Å; D462-P502 HydrophobicContact CB-CG 4.29Å; D462-P502 VanDerWaalsContact OD1-CB 3.24Å; D462-P502 WeakPolarHBondContact OD1-CB 3.31Å; D462-P502 WeakPolarHBondContact OD1-CG 3.42Å
463	L	95.9	Very high	92.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.188	C	C	.	.			trans	-69.6	111.3	175.8	179.1	67.6	0	0	0	110.2	V446 M450 I478 F525 V528	V446-L463 HydrophobicContact CG1-CD1 4.21Å; M450-L463 HydrophobicContact CE-CD2 4.3Å; M450-L463 HydrophobicContact CG-CD1 4.26Å; M450-L463 HydrophobicContact CG-CD2 3.67Å; M450-L463 HydrophobicContact SD-CD1 3.83Å; M450-L463 HydrophobicContact SD-CD2 3.69Å; M450-L463 HydrophobicContact SD-CG 4.27Å; L463-I478 HydrophobicContact CD1-CD1 4.3Å; L463-I478 HydrophobicContact CD1-CG2 4.4Å; L463-F525 HydrophobicContact CD2-CB 3.82Å; L463-F525 HydrophobicContact CD2-CD2 4.35Å; L463-V528 HydrophobicContact CG-CG2 4.12Å
464	A	96	Very high	92.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-152	160.7	-179.9	0	0	0	0	0	110.1	D462 R466 N467 C468 W505	D462-A464 PolarHBondContact O-N 2.94Å; A464-R466 HydrophobicContact CB-CG 3.88Å; A464-R466 VanDerWaalsContact CB-CZ 3.48Å; A464-R466 PolarHBondContact O-N 3.08Å; A464-N467 PolarHBondContact O-N 3.38Å; A464-C468 PolarHBondContact O-N 3.14Å; A464-W505 HydrophobicContact CB-CD2 4.22Å; A464-W505 HydrophobicContact CB-CG 4.23Å; A464-W505 HydrophobicContact CB-CZ2 4.38Å
465	T	95.8	Very high	92.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-62.7	-27.9	179	62	0	0	0	0	113.3	L409 N410 L413 N467 C468 V528 E531 I532	L409-T465 WeakPolarHBondContact CB-O 3.41Å; L409-T465 HydrophobicContact CD2-CG2 3.96Å; L409-T465 HydrophobicContact CG-CG2 4.23Å; L409-T465 PolarHBondContact N-O 3.32Å; N410-T465 WeakPolarHBondContact CA-OG1 3.48Å; N410-T465 WeakPolarHBondContact CB-OG1 3.39Å; N410-T465 PolarHBondContact N-O 3.03Å; N410-T465 PolarHBondContact ND2-OG1 2.9Å; L413-T465 HydrophobicContact CD1-CG2 3.95Å; T465-N467 PolarHBondContact O-N 2.94Å; T465-C468 PolarHBondContact O-N 3.44Å; T465-C468 VanDerWaalsContact O-N 3.11Å; T465-V528 HydrophobicContact CG2-CG1 3.97Å; T465-E531 HydrophobicContact CG2-CB 3.57Å; T465-E531 HydrophobicContact CG2-CG 4.28Å; T465-E531 PolarHBondContact N-OE2 2.79Å; T465-E531 VanDerWaalsContact OG1-CD 3.24Å; T465-E531 PolarHBondContact OG1-OE1 3.13Å; T465-I532 HydrophobicContact CG2-CG1 4.26Å
466	R	92.2	Very high	92.8	Very high	3 Å²	3	32.8 Å²	32.8	1%	0.011	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-63.5	-17.6	173.1	63.1	173.2	175.7	-76.6	-19.1	114.6	N410 D462 A464 Y488 D491 Y492 W505	N410-R466 HydrophobicContact CB-CB 4.27Å; D462-R466 IonicContact OD1-CZ 2.72Å; D462-R466 IonicContact OD1-NH2 2.69Å; D462-R466 PolarHBondContact OD1-NH2 3.34Å; A464-R466 HydrophobicContact CB-CG 3.88Å; A464-R466 VanDerWaalsContact CB-CZ 3.48Å; A464-R466 PolarHBondContact O-N 3.08Å; R466-Y488 HydrophobicContact CB-CD2 3.63Å; R466-Y488 HydrophobicContact CB-CE2 3.65Å; R466-Y488 HydrophobicContact CB-CG 4.11Å; R466-Y488 HydrophobicContact CG-CD2 4.41Å; R466-D491 IonicContact CZ-OD2 3.75Å; R466-D491 IonicContact NE-OD2 3.24Å; R466-D491 IonicContact NH1-OD2 2.63Å; R466-D491 PolarHBondContact NH1-OD2 2.93Å; R466-Y492 PolarHBondContact NE-OH 2.87Å; R466-W505 VanDerWaalsContact NH1-CZ2 3.26Å
467	N	92.8	Very high	93.1	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.011	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-107.3	2.2	178.2	-68.3	-21.1	0	0	0	111.9	D462 A464 T465 G479	D462-N467 VanDerWaalsContact CG-ND2 3.33Å; D462-N467 PolarHBondContact O-ND2 3.02Å; D462-N467 PolarHBondContact OD2-ND2 3.42Å; A464-N467 PolarHBondContact O-N 3.38Å; T465-N467 PolarHBondContact O-N 2.94Å; N467-G479 CarbonylContact O-C 3.55Å; N467-G479 PolarHBondContact O-N 3.02Å
468	C	95.1	Very high	93.3	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	142.2	166.6	-60.2	0	0	0	0	108.8	D408 L409 A464 T465 V476 K477	D408-C468 CarbonylContact C-O 3.57Å; D408-C468 WeakPolarHBondContact CA-O 3.16Å; L409-C468 HydrophobicContact CB-CB 3.82Å; L409-C468 HydrophobicContact CD2-CB 3.88Å; L409-C468 PolarHBondContact N-O 3.44Å; A464-C468 PolarHBondContact O-N 3.14Å; T465-C468 PolarHBondContact O-N 3.44Å; T465-C468 VanDerWaalsContact O-N 3.11Å; C468-V476 HydrophobicContact CB-CG1 4.24Å; C468-K477 CarbonylContact C-O 3.39Å; C468-K477 WeakPolarHBondContact CA-O 3.48Å
469	L	93.9	Very high	93.1	Very high	12 Å²	12	19.5 Å²	19.5	6%	0.063	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	151.7	176.5	-59.9	-172.9	0	0	0	111.3	V385 M404 G407 D408 V476 K477 F481 M483	V385-L469 HydrophobicContact CG1-CD1 4.39Å; V385-L469 HydrophobicContact CG2-CB 4.2Å; V385-L469 HydrophobicContact CG2-CD1 3.93Å; V385-L469 HydrophobicContact CG2-CG 4.18Å; M404-L469 HydrophobicContact CB-CB 3.68Å; M404-L469 HydrophobicContact CB-CD1 3.99Å; M404-L469 HydrophobicContact CB-CG 4.45Å; M404-L469 HydrophobicContact CE-CB 3.93Å; M404-L469 VanDerWaalsContact CE-O 3.3Å; M404-L469 WeakPolarHBondContact CE-O 3.48Å; M404-L469 HydrophobicContact CG-CB 3.65Å; M404-L469 HydrophobicContact CG-CD1 3.77Å; M404-L469 HydrophobicContact CG-CG 4.38Å; G407-L469 CarbonylContact O-C 3.6Å; G407-L469 VanDerWaalsContact O-CA 3.31Å; G407-L469 WeakPolarHBondContact O-CA 3.5Å; D408-L469 HydrophobicContact CB-CD2 4.19Å; L469-V476 WeakPolarHBondContact O-CA 3.38Å; L469-K477 PolarHBondContact N-O 3.05Å; L469-K477 PolarHBondContact O-N 3.42Å; L469-F481 HydrophobicContact CD1-CD2 3.76Å; L469-F481 HydrophobicContact CD1-CE2 3.66Å; L469-F481 HydrophobicContact CD1-CZ 4.46Å; L469-F481 HydrophobicContact CG-CD2 4.3Å; L469-M483 HydrophobicContact CD2-CE 4.3Å
470	V	94.8	Very high	92	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	117.7	-177.9	-172.2	0	0	0	0	110.3	M404 R405 H406 G407 L409 F412 V476	M404-V470 CarbonylContact C-O 3.59Å; R405-V470 PolarHBondContact N-O 3.39Å; H406-V470 HydrophobicContact CB-CB 4.06Å; H406-V470 HydrophobicContact CB-CG1 4.13Å; H406-V470 PolarHBondContact N-O 3.38Å; G407-V470 PolarHBondContact O-N 2.88Å; L409-V470 HydrophobicContact CB-CG2 3.86Å; L409-V470 HydrophobicContact CD1-CG2 3.64Å; L409-V470 HydrophobicContact CG-CG2 4.35Å; F412-V470 HydrophobicContact CB-CG2 4.11Å; F412-V470 HydrophobicContact CD1-CG1 4.34Å; F412-V470 HydrophobicContact CD1-CG2 4.15Å; F412-V470 HydrophobicContact CD2-CG1 4.31Å; F412-V470 HydrophobicContact CE1-CG1 4.37Å; F412-V470 HydrophobicContact CE2-CG1 4.32Å; F412-V470 HydrophobicContact CG-CB 4.39Å; F412-V470 HydrophobicContact CG-CG1 4.32Å; F412-V470 HydrophobicContact CG-CG2 4.08Å; F412-V470 HydrophobicContact CZ-CG1 4.37Å; V470-V476 HydrophobicContact CG2-CG2 4.32Å
471	G	89.8	Confident	90.2	Very high	6 Å²	6	21.3 Å²	21.3	6%	0.062	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-179.1	176.7	0	0	0	0	0	112.2	M404 H406 L474 V475	M404-G471 VanDerWaalsContact CE-N 3.31Å; H406-G471 PolarHBondContact CD2-O 3.48Å; G471-L474 PolarHBondContact O-N 3.02Å; G471-V475 PolarHBondContact N-O 3.15Å
472	Q	87.9	Confident	88.3	Confident	120 Å²	120	19.2 Å²	19.2	56%	0.561	12%	0.117	S	C	*	.	G	3₁₀ helix	trans	-53.9	143	178.3	-174.6	166.8	21.1	0	0	111.7	D428 L474 V475	D428-Q472 WeakPolarHBondContact OD1-CG 3.46Å; D428-Q472 PolarHBondContact OD1-NE2 3Å; Q472-L474 VanDerWaalsContact C-N 3.35Å; Q472-L474 PolarHBondContact O-N 3.22Å; Q472-V475 WeakPolarHBondContact O-CG2 3.32Å; Q472-V475 PolarHBondContact O-N 2.84Å
473	G	87.2	Confident	86.1	Confident	52 Å²	52	20.9 Å²	20.9	54%	0.536	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	67.5	29.3	178.2	0	0	0	0	0	114.7	V475	G473-V475 PolarHBondContact O-N 2.99Å
474	L	91.5	Very high	83.9	Confident	24 Å²	24	21.4 Å²	21.4	13%	0.126	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	59	28.4	-177.3	-58.3	175.6	0	0	0	114.3	F412 V429 Q438 Q445 G471 Q472 V476	F412-L474 HydrophobicContact CE1-CD2 3.72Å; F412-L474 HydrophobicContact CE2-CD2 4.42Å; F412-L474 HydrophobicContact CZ-CD2 3.38Å; V429-L474 HydrophobicContact CG1-CD2 4.22Å; V429-L474 HydrophobicContact CG2-CD2 3.58Å; V429-L474 HydrophobicContact CG2-CG 4.03Å; Q438-L474 HydrophobicContact CB-CD1 4.3Å; Q438-L474 HydrophobicContact CG-CD1 3.99Å; Q445-L474 PolarHBondContact NE2-O 3.22Å; G471-L474 PolarHBondContact O-N 3.02Å; Q472-L474 VanDerWaalsContact C-N 3.35Å; Q472-L474 PolarHBondContact O-N 3.22Å; L474-V476 PolarHBondContact O-N 3.26Å
475	V	96	Very high	82	Confident	53 Å²	53	23.6 Å²	23.6	32%	0.321	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	117.5	171.6	174.9	0	0	0	0	109.1	G471 Q472 G473 K477	G471-V475 PolarHBondContact N-O 3.15Å; Q472-V475 WeakPolarHBondContact O-CG2 3.32Å; Q472-V475 PolarHBondContact O-N 2.84Å; G473-V475 PolarHBondContact O-N 2.99Å; V475-K477 HydrophobicContact CG1-CG 4.2Å
476	V	97.8	Very high	80.3	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.1	-179.6	-177	0	0	0	0	110.3	H383 L409 V442 Q445 V446 C468 L469 V470 L474	H383-V476 PolarHBondContact ND1-O 3.05Å; L409-V476 HydrophobicContact CD2-CG1 4.1Å; V442-V476 HydrophobicContact CB-CG2 4.34Å; V442-V476 HydrophobicContact CG1-CG2 4.18Å; V442-V476 HydrophobicContact CG2-CG2 3.94Å; Q445-V476 HydrophobicContact CB-CB 4.11Å; V446-V476 HydrophobicContact CG2-CG1 3.64Å; C468-V476 HydrophobicContact CB-CG1 4.24Å; L469-V476 WeakPolarHBondContact O-CA 3.38Å; V470-V476 HydrophobicContact CG2-CG2 4.32Å; L474-V476 PolarHBondContact O-N 3.26Å
477	K	97.7	Very high	79	Confident	26 Å²	26	34.1 Å²	34.1	11%	0.113	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	145	179.5	-52.5	-173.3	177.5	-170.5	0	110.8	Q382 H383 V385 E402 M404 C468 L469 V475	Q382-K477 WeakPolarHBondContact O-CE 3.45Å; H383-K477 WeakPolarHBondContact O-CA 3.2Å; V385-K477 HydrophobicContact CG2-CB 3.69Å; E402-K477 WeakPolarHBondContact OE1-CD 2.98Å; E402-K477 WeakPolarHBondContact OE1-CE 3.4Å; E402-K477 IonicContact OE1-NZ 2.76Å; E402-K477 PolarHBondContact OE1-NZ 3.44Å; E402-K477 IonicContact OE2-NZ 3.96Å; E402-K477 PolarHBondContact OE2-NZ 2.97Å; M404-K477 HydrophobicContact CE-CB 3.91Å; M404-K477 HydrophobicContact CE-CD 3.92Å; M404-K477 HydrophobicContact CE-CG 3.71Å; M404-K477 HydrophobicContact SD-CD 4.12Å; C468-K477 CarbonylContact C-O 3.39Å; C468-K477 WeakPolarHBondContact CA-O 3.48Å; L469-K477 PolarHBondContact N-O 3.05Å; L469-K477 PolarHBondContact O-N 3.42Å; V475-K477 HydrophobicContact CG1-CG 4.2Å
478	I	95.6	Very high	78.1	Confident	3 Å²	3	34.8 Å²	34.8	2%	0.015	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	132.6	173.7	-52.3	173.9	0	0	0	108.5	H383 I384 V385 V446 M450 H460 L463	H383-I478 PolarHBondContact O-N 3.04Å; I384-I478 CarbonylContact C-O 3.59Å; I384-I478 WeakPolarHBondContact CA-O 3.35Å; I384-I478 HydrophobicContact CD1-CB 3.96Å; I384-I478 HydrophobicContact CD1-CD1 4.21Å; I384-I478 HydrophobicContact CD1-CG1 4.46Å; V385-I478 WeakPolarHBondContact CG2-O 3.26Å; V385-I478 PolarHBondContact N-O 3.32Å; V446-I478 HydrophobicContact CG1-CD1 4.26Å; V446-I478 HydrophobicContact CG1-CG1 4.24Å; M450-I478 HydrophobicContact CG-CD1 3.69Å; M450-I478 HydrophobicContact SD-CD1 3.57Å; M450-I478 VanDerWaalsContact SD-CD1 3.57Å; H460-I478 VanDerWaalsContact CD2-CG2 3.47Å; H460-I478 WeakPolarHBondContact CD2-CG2 3.23Å; H460-I478 VanDerWaalsContact NE2-CG2 3.3Å; H460-I478 WeakPolarHBondContact NE2-CG2 3.31Å; L463-I478 HydrophobicContact CD1-CD1 4.3Å; L463-I478 HydrophobicContact CD1-CG2 4.4Å
479	G	86.1	Confident	77.2	Confident	8 Å²	8	37.9 Å²	37.9	8%	0.082	22%	0.216	C	C	.	.			trans	-128.3	165.8	168.4	0	0	0	0	0	111.2	N467	N467-G479 CarbonylContact O-C 3.55Å; N467-G479 PolarHBondContact O-N 3.02Å
480	D	70	Confident	76.5	Confident	66 Å²	66	41.6 Å²	41.6	35%	0.353	24%	0.239	S	C	.	.			trans	-111.2	77.8	168.7	-164.9	-8.9	0	0	0	109.7
481	F	54.6	Low	75.9	Confident	6 Å²	6	41.8 Å²	41.8	3%	0.026	24%	0.24	C	C	.	.			trans	-114.3	88.3	-174.7	-72.7	-73.7	0	0	0	110	V385 F401 L469 M483	V385-F481 HydrophobicContact CB-CE2 3.93Å; V385-F481 HydrophobicContact CG1-CE2 3.7Å; V385-F481 HydrophobicContact CG1-CZ 3.94Å; V385-F481 HydrophobicContact CG2-CE2 4.12Å; F401-F481 HydrophobicContact CB-CZ 4.09Å; F401-F481 HydrophobicContact CD1-CE1 4.16Å; F401-F481 AromaticContact CD1-CZ 3.59Å; F401-F481 HydrophobicContact CD1-CZ 3.59Å; F401-F481 AromaticContact CD2-CE1 3.69Å; F401-F481 HydrophobicContact CD2-CE1 3.69Å; F401-F481 AromaticContact CD2-CZ 3.9Å; F401-F481 HydrophobicContact CD2-CZ 3.9Å; F401-F481 HydrophobicContact CE1-CE1 4.16Å; F401-F481 AromaticContact CE1-CZ 3.86Å; F401-F481 HydrophobicContact CE1-CZ 3.86Å; F401-F481 AromaticContact CE2-CE1 3.69Å; F401-F481 HydrophobicContact CE2-CE1 3.69Å; F401-F481 HydrophobicContact CE2-CZ 4.14Å; F401-F481 AromaticContact CG-CE1 3.92Å; F401-F481 HydrophobicContact CG-CE1 3.92Å; F401-F481 AromaticContact CG-CZ 3.61Å; F401-F481 HydrophobicContact CG-CZ 3.61Å; F401-F481 AromaticContact CZ-CE1 3.94Å; F401-F481 HydrophobicContact CZ-CE1 3.94Å; F401-F481 HydrophobicContact CZ-CZ 4.13Å; L469-F481 HydrophobicContact CD1-CD2 3.76Å; L469-F481 HydrophobicContact CD1-CE2 3.66Å; L469-F481 HydrophobicContact CD1-CZ 4.46Å; L469-F481 HydrophobicContact CG-CD2 4.3Å; F481-M483 HydrophobicContact CB-CB 4.35Å; F481-M483 HydrophobicContact CB-CE 3.62Å; F481-M483 HydrophobicContact CB-CG 3.71Å; F481-M483 HydrophobicContact CB-SD 3.8Å; F481-M483 HydrophobicContact CD1-CE 4.19Å; F481-M483 HydrophobicContact CD1-CG 4.03Å; F481-M483 HydrophobicContact CD1-SD 3.53Å; F481-M483 VanDerWaalsContact CD1-SD 3.53Å; F481-M483 HydrophobicContact CE1-SD 4.37Å; F481-M483 HydrophobicContact CG-CE 3.9Å; F481-M483 HydrophobicContact CG-CG 4.28Å; F481-M483 HydrophobicContact CG-SD 3.85Å; F481-M483 PolarHBondContact O-N 3.01Å
482	G	52	Low	75.5	Confident	9 Å²	9	42.1 Å²	42.1	9%	0.093	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-62.5	22.4	166.9	0	0	0	0	0	115.6	G331 A332 S484	G331-G482 VanDerWaalsContact CA-O 3.29Å; G331-G482 WeakPolarHBondContact CA-O 3.45Å; A332-G482 PolarHBondContact N-O 3.01Å; G482-S484 PolarHBondContact O-N 3.39Å
483	M	45.6	Very low	75.3	Confident	47 Å²	47	40.2 Å²	40.2	23%	0.232	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-63.5	-14.8	175.3	-62.8	-176.1	-38.5	0	0	114.1	E330 V336 L469 F481	E330-M483 CarbonylContact C-O 3.6Å; V336-M483 HydrophobicContact CB-CG 4.23Å; V336-M483 HydrophobicContact CB-SD 3.73Å; V336-M483 HydrophobicContact CG1-SD 3.72Å; V336-M483 HydrophobicContact CG2-CG 3.44Å; V336-M483 VanDerWaalsContact CG2-CG 3.44Å; V336-M483 HydrophobicContact CG2-SD 3.47Å; V336-M483 WeakPolarHBondContact CG2-SD 3.11Å; L469-M483 HydrophobicContact CD2-CE 4.3Å; F481-M483 HydrophobicContact CB-CB 4.35Å; F481-M483 HydrophobicContact CB-CE 3.62Å; F481-M483 HydrophobicContact CB-CG 3.71Å; F481-M483 HydrophobicContact CB-SD 3.8Å; F481-M483 HydrophobicContact CD1-CE 4.19Å; F481-M483 HydrophobicContact CD1-CG 4.03Å; F481-M483 HydrophobicContact CD1-SD 3.53Å; F481-M483 VanDerWaalsContact CD1-SD 3.53Å; F481-M483 HydrophobicContact CE1-SD 4.37Å; F481-M483 HydrophobicContact CG-CE 3.9Å; F481-M483 HydrophobicContact CG-CG 4.28Å; F481-M483 HydrophobicContact CG-SD 3.85Å; F481-M483 PolarHBondContact O-N 3.01Å
484	S	49.8	Very low	75	Confident	11 Å²	11	45.1 Å²	45.1	8%	0.077	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-122.9	1	-159.1	69	0	0	0	0	113.4	G482 D486 I487 Y488	G482-S484 PolarHBondContact O-N 3.39Å; S484-D486 PolarHBondContact O-N 3.16Å; S484-D486 VanDerWaalsContact O-N 3.14Å; S484-I487 PolarHBondContact O-N 2.91Å; S484-Y488 VanDerWaalsContact CB-CD2 3.46Å; S484-Y488 VanDerWaalsContact O-CD2 3.3Å; S484-Y488 WeakPolarHBondContact O-CD2 3.2Å; S484-Y488 PolarHBondContact O-N 2.98Å
485	R	55.3	Low	74	Confident	46 Å²	46	46.1 Å²	46.1	17%	0.174	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.8	-174.8	-82.7	-174.7	175	175.5	0.4	115.1	Y488 S489 Y492	R485-Y488 CarbonylContact O-C 3.57Å; R485-S489 WeakPolarHBondContact O-CA 3.45Å; R485-S489 VanDerWaalsContact O-CB 3.25Å; R485-S489 WeakPolarHBondContact O-CB 3.43Å; R485-S489 PolarHBondContact O-N 3.04Å; R485-Y492 HydrophobicContact CG-CE2 4.08Å
486	D	60.2	Low	72.7	Confident	106 Å²	106	47.1 Å²	47.1	57%	0.567	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-44.7	179.4	-67.8	-10.2	0	0	0	110.9	S484 S489	S484-D486 PolarHBondContact O-N 3.16Å; S484-D486 VanDerWaalsContact O-N 3.14Å; D486-S489 WeakPolarHBondContact O-CB 3.33Å; D486-S489 PolarHBondContact O-N 3.43Å; D486-S489 PolarHBondContact O-OG 3.13Å
487	I	64.5	Low	71.1	Confident	117 Å²	117	50 Å²	50	60%	0.6	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-42.5	174.8	-60.3	175.8	0	0	0	110.8	S484	S484-I487 PolarHBondContact O-N 2.91Å
488	Y	75.5	Confident	69.3	Low	17 Å²	17	57.5 Å²	57.5	7%	0.067	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	26.3	179	-56.6	-64.5	0	0	0	113	D408 N410 R466 S484 R485 T490 D491 Y492	D408-Y488 PolarHBondContact OD1-OH 3.44Å; N410-Y488 HydrophobicContact CB-CE1 4.25Å; N410-Y488 WeakPolarHBondContact OD1-CE1 3.35Å; R466-Y488 HydrophobicContact CB-CD2 3.63Å; R466-Y488 HydrophobicContact CB-CE2 3.65Å; R466-Y488 HydrophobicContact CB-CG 4.11Å; R466-Y488 HydrophobicContact CG-CD2 4.41Å; S484-Y488 VanDerWaalsContact CB-CD2 3.46Å; S484-Y488 VanDerWaalsContact O-CD2 3.3Å; S484-Y488 WeakPolarHBondContact O-CD2 3.2Å; S484-Y488 PolarHBondContact O-N 2.98Å; R485-Y488 CarbonylContact O-C 3.57Å; Y488-T490 PolarHBondContact O-N 3.42Å; Y488-T490 VanDerWaalsContact O-N 3.13Å; Y488-D491 WeakPolarHBondContact O-CB 3.38Å; Y488-D491 PolarHBondContact O-N 3.39Å; Y488-Y492 WeakPolarHBondContact O-CD2 3.44Å
489	S	76.5	Confident	68.2	Low	64 Å²	64	59.2 Å²	59.2	45%	0.448	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-59.7	-27.2	-176.4	49.8	0	0	0	0	113.8	R485 D486 D491	R485-S489 WeakPolarHBondContact O-CA 3.45Å; R485-S489 VanDerWaalsContact O-CB 3.25Å; R485-S489 WeakPolarHBondContact O-CB 3.43Å; R485-S489 PolarHBondContact O-N 3.04Å; D486-S489 WeakPolarHBondContact O-CB 3.33Å; D486-S489 PolarHBondContact O-N 3.43Å; D486-S489 PolarHBondContact O-OG 3.13Å; S489-D491 VanDerWaalsContact C-N 3.33Å
490	T	78.9	Confident	67.9	Low	90 Å²	90	61.4 Å²	61.4	55%	0.552	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-73.8	-18.5	176.1	55	0	0	0	0	114.2	Y488 Y492 Q538	Y488-T490 PolarHBondContact O-N 3.42Å; Y488-T490 VanDerWaalsContact O-N 3.13Å; T490-Y492 VanDerWaalsContact C-N 3.26Å; T490-Y492 PolarHBondContact O-N 3.2Å; T490-Q538 PolarHBondContact OG1-NE2 3.46Å
491	D	80.6	Confident	68.7	Low	6 Å²	6	59 Å²	59	3%	0.032	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-73.6	-19.9	176.7	-72.1	-10.6	0	0	0	112.5	R466 Y488 S489 W505 Q538	R466-D491 IonicContact CZ-OD2 3.75Å; R466-D491 IonicContact NE-OD2 3.24Å; R466-D491 IonicContact NH1-OD2 2.63Å; R466-D491 PolarHBondContact NH1-OD2 2.93Å; Y488-D491 WeakPolarHBondContact O-CB 3.38Å; Y488-D491 PolarHBondContact O-N 3.39Å; S489-D491 VanDerWaalsContact C-N 3.33Å; D491-W505 HydrophobicContact CB-CH2 3.94Å; D491-W505 HydrophobicContact CB-CZ3 3.65Å; D491-W505 WeakPolarHBondContact OD2-CH2 3.44Å; D491-Q538 PolarHBondContact OD1-NE2 3.48Å
492	Y	83.1	Confident	70.5	Confident	12 Å²	12	59.2 Å²	59.2	5%	0.047	32%	0.323	C	S	.	.			trans	-107.3	126.5	-175.1	-65	-88.7	0	0	0	112.4	D462 R466 R485 Y488 T490 M500 L501 P502	D462-Y492 PolarHBondContact OD1-OH 2.88Å; D462-Y492 WeakPolarHBondContact OD2-CE1 3.34Å; D462-Y492 PolarHBondContact OD2-OH 3.32Å; R466-Y492 PolarHBondContact NE-OH 2.87Å; R485-Y492 HydrophobicContact CG-CE2 4.08Å; Y488-Y492 WeakPolarHBondContact O-CD2 3.44Å; T490-Y492 VanDerWaalsContact C-N 3.26Å; T490-Y492 PolarHBondContact O-N 3.2Å; Y492-M500 HydrophobicContact CD1-CB 4.48Å; Y492-L501 CarbonylContact C-O 3.57Å; Y492-L501 WeakPolarHBondContact CA-O 3.33Å; Y492-P502 HydrophobicContact CD1-CB 4.25Å; Y492-P502 HydrophobicContact CE1-CB 4.01Å
493	Y	82.8	Confident	72.4	Confident	80 Å²	80	58.9 Å²	58.9	31%	0.314	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	138.4	173.6	-179.3	-117.6	0	0	0	111.6	V495 M500 L501 I503 N545 I549	Y493-V495 HydrophobicContact CD1-CG2 3.59Å; Y493-V495 HydrophobicContact CE1-CG2 3.76Å; Y493-M500 WeakPolarHBondContact O-CA 3.36Å; Y493-L501 PolarHBondContact N-O 3.36Å; Y493-L501 PolarHBondContact O-N 3.12Å; Y493-I503 HydrophobicContact CD1-CD1 4.46Å; Y493-I503 HydrophobicContact CD1-CG2 4.23Å; Y493-I503 HydrophobicContact CG-CD1 4.16Å; Y493-N545 HydrophobicContact CD2-CB 3.7Å; Y493-N545 HydrophobicContact CE2-CB 4.3Å; Y493-N545 HydrophobicContact CG-CB 4.11Å; Y493-I549 HydrophobicContact CD1-CD1 4.05Å; Y493-I549 HydrophobicContact CE1-CD1 4.03Å
494	R	81.3	Confident	74.9	Confident	155 Å²	155	57 Å²	57	59%	0.585	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	106.1	-179.6	-170	173.1	-68.3	164.4	-0.1	111.2	T499 M500	R494-T499 CarbonylContact C-O 3.57Å; R494-T499 WeakPolarHBondContact CA-O 3.31Å; R494-M500 HydrophobicContact CB-SD 3.63Å; R494-M500 HydrophobicContact CG-SD 3.89Å; R494-M500 PolarHBondContact NE-SD 3.43Å
495	V	71	Confident	77.2	Confident	46 Å²	46	56.6 Å²	56.6	28%	0.279	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	138.4	175.7	-172.6	0	0	0	0	110.5	Y493 G497 R498 T499 L501	Y493-V495 HydrophobicContact CD1-CG2 3.59Å; Y493-V495 HydrophobicContact CE1-CG2 3.76Å; V495-G497 PolarHBondContact O-N 2.59Å; V495-G497 VanDerWaalsContact O-N 3.09Å; V495-R498 PolarHBondContact O-N 2.91Å; V495-T499 PolarHBondContact N-O 2.83Å; V495-T499 PolarHBondContact O-N 3.39Å; V495-L501 HydrophobicContact CB-CD1 4.27Å; V495-L501 HydrophobicContact CG2-CD1 3.64Å; V495-L501 HydrophobicContact CG2-CG 4.48Å
496	G	67.7	Low	79.2	Confident	74 Å²	74	54.5 Å²	54.5	76%	0.763	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	19.6	176.4	0	0	0	0	0	114.7	R498	G496-R498 PolarHBondContact O-N 3.4Å; G496-R498 VanDerWaalsContact O-N 3.14Å
497	G	64.1	Low	81	Confident	60 Å²	60	49.5 Å²	49.5	62%	0.619	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	-2.5	-178.5	0	0	0	0	0	116	V495	V495-G497 PolarHBondContact O-N 2.59Å; V495-G497 VanDerWaalsContact O-N 3.09Å
498	R	61	Low	82.6	Confident	184 Å²	184	44.3 Å²	44.3	69%	0.694	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.8	-32.3	-171.8	-68.8	-178.9	174.8	166.1	-3	115.4	V495 G496	V495-R498 PolarHBondContact O-N 2.91Å; G496-R498 PolarHBondContact O-N 3.4Å; G496-R498 VanDerWaalsContact O-N 3.14Å
499	T	72.5	Confident	83.6	Confident	39 Å²	39	44.3 Å²	44.3	24%	0.239	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.1	-173.1	-50.2	0	0	0	0	111	R494 V495 L501	R494-T499 CarbonylContact C-O 3.57Å; R494-T499 WeakPolarHBondContact CA-O 3.31Å; V495-T499 PolarHBondContact N-O 2.83Å; V495-T499 PolarHBondContact O-N 3.39Å; T499-L501 HydrophobicContact CG2-CD2 3.92Å; T499-L501 HydrophobicContact CG2-CG 4.22Å
500	M	79.8	Confident	84.5	Confident	55 Å²	55	41.3 Å²	41.3	27%	0.271	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	133.6	172.6	-60.8	-61.3	-75.9	0	0	109.3	Y492 Y493 R494	Y492-M500 HydrophobicContact CD1-CB 4.48Å; Y493-M500 WeakPolarHBondContact O-CA 3.36Å; R494-M500 HydrophobicContact CB-SD 3.63Å; R494-M500 HydrophobicContact CG-SD 3.89Å; R494-M500 PolarHBondContact NE-SD 3.43Å
501	L	85.4	Confident	85.1	Confident	16 Å²	16	38.4 Å²	38.4	8%	0.084	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	138	-176.1	-65.4	176.7	0	0	0	112	Y492 Y493 V495 T499 I503 M506	Y492-L501 CarbonylContact C-O 3.57Å; Y492-L501 WeakPolarHBondContact CA-O 3.33Å; Y493-L501 PolarHBondContact N-O 3.36Å; Y493-L501 PolarHBondContact O-N 3.12Å; V495-L501 HydrophobicContact CB-CD1 4.27Å; V495-L501 HydrophobicContact CG2-CD1 3.64Å; V495-L501 HydrophobicContact CG2-CG 4.48Å; T499-L501 HydrophobicContact CG2-CD2 3.92Å; T499-L501 HydrophobicContact CG2-CG 4.22Å; L501-I503 HydrophobicContact CB-CG2 3.93Å; L501-I503 PolarHBondContact O-N 3.11Å; L501-M506 HydrophobicContact CB-SD 3.85Å; L501-M506 HydrophobicContact CD1-CE 4.36Å; L501-M506 HydrophobicContact CD1-SD 4.41Å; L501-M506 HydrophobicContact CD2-SD 4.46Å; L501-M506 HydrophobicContact CG-SD 4.48Å
502	P	92	Very high	85.6	Confident	9 Å²	9	42 Å²	42	6%	0.058	23%	0.226	C	C	.	.			trans	-79.7	56.5	177.7	36.6	-38.4	0	0	0	111.3	D462 Y492 R504 W505 M506	D462-P502 HydrophobicContact CB-CG 4.29Å; D462-P502 VanDerWaalsContact OD1-CB 3.24Å; D462-P502 WeakPolarHBondContact OD1-CB 3.31Å; D462-P502 WeakPolarHBondContact OD1-CG 3.42Å; Y492-P502 HydrophobicContact CD1-CB 4.25Å; Y492-P502 HydrophobicContact CE1-CB 4.01Å; P502-R504 PolarHBondContact O-N 2.79Å; P502-W505 HydrophobicContact CB-CE3 4.28Å; P502-W505 PolarHBondContact O-N 3.15Å; P502-M506 HydrophobicContact CG-CG 4.25Å; P502-M506 HydrophobicContact CG-SD 4.42Å; P502-M506 PolarHBondContact O-N 3.5Å
503	I	93.8	Very high	86	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.015	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-27.4	-166.2	54	151.5	0	0	0	115.5	Y493 L501 W505 M506 N545 I549 I552	Y493-I503 HydrophobicContact CD1-CD1 4.46Å; Y493-I503 HydrophobicContact CD1-CG2 4.23Å; Y493-I503 HydrophobicContact CG-CD1 4.16Å; L501-I503 HydrophobicContact CB-CG2 3.93Å; L501-I503 PolarHBondContact O-N 3.11Å; I503-W505 VanDerWaalsContact C-N 3.28Å; I503-W505 PolarHBondContact O-N 3.04Å; I503-M506 HydrophobicContact CG2-SD 4.23Å; I503-M506 PolarHBondContact O-N 3.39Å; I503-N545 HydrophobicContact CD1-CB 3.56Å; I503-N545 VanDerWaalsContact CD1-O 3.26Å; I503-N545 WeakPolarHBondContact CD1-O 3.29Å; I503-I549 HydrophobicContact CB-CG1 4.44Å; I503-I549 HydrophobicContact CD1-CD1 3.95Å; I503-I549 HydrophobicContact CD1-CG1 3.88Å; I503-I549 HydrophobicContact CG2-CD1 4.44Å; I503-I552 WeakPolarHBondContact O-CD1 3.17Å
504	R	97.1	Very high	86.3	Confident	8 Å²	8	49.3 Å²	49.3	3%	0.03	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-18.2	-180	-69.4	163.6	-176	-86.6	-4.8	113.1	P502 P539 W540 L543 N545 A548	P502-R504 PolarHBondContact O-N 2.79Å; R504-P539 HydrophobicContact CB-CB 4.28Å; R504-P539 WeakPolarHBondContact CD-O 3.43Å; R504-P539 PolarHBondContact NH1-O 2.98Å; R504-W540 PolarHBondContact NH1-O 2.84Å; R504-L543 PolarHBondContact NH2-O 2.76Å; R504-N545 PolarHBondContact NE-OD1 3.22Å; R504-N545 PolarHBondContact NH2-OD1 3.33Å; R504-A548 HydrophobicContact CG-CB 4.42Å
505	W	97.9	Very high	86.8	Confident	2 Å²	2	48 Å²	48	1%	0.008	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-11.6	173.3	-69.9	-102.7	0	0	0	112.7	A464 R466 D491 P502 I503 W523 S524 V527 E531 P539	A464-W505 HydrophobicContact CB-CD2 4.22Å; A464-W505 HydrophobicContact CB-CG 4.23Å; A464-W505 HydrophobicContact CB-CZ2 4.38Å; R466-W505 VanDerWaalsContact NH1-CZ2 3.26Å; D491-W505 HydrophobicContact CB-CH2 3.94Å; D491-W505 HydrophobicContact CB-CZ3 3.65Å; D491-W505 WeakPolarHBondContact OD2-CH2 3.44Å; P502-W505 HydrophobicContact CB-CE3 4.28Å; P502-W505 PolarHBondContact O-N 3.15Å; I503-W505 VanDerWaalsContact C-N 3.28Å; I503-W505 PolarHBondContact O-N 3.04Å; W505-W523 VanDerWaalsContact O-CD1 3.26Å; W505-S524 PolarHBondContact O-OG 3.17Å; W505-S524 VanDerWaalsContact O-OG 3.07Å; W505-V527 HydrophobicContact CD2-CG1 4.39Å; W505-V527 HydrophobicContact CG-CB 4.4Å; W505-V527 HydrophobicContact CG-CG1 3.97Å; W505-E531 HydrophobicContact CZ2-CG 4.42Å; W505-E531 VanDerWaalsContact NE1-CD 3.35Å; W505-E531 PolarHBondContact NE1-OE2 3.38Å; W505-P539 HydrophobicContact CD2-CG 4.44Å; W505-P539 HydrophobicContact CH2-CG 4.08Å; W505-P539 VanDerWaalsContact CZ2-CD 3.45Å; W505-P539 HydrophobicContact CZ2-CG 3.69Å
506	M	97.4	Very high	87.9	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.01	25%	0.248	C	C	.	.			trans	-84	143.2	-173.9	-68.9	172.6	64.3	0	0	112.6	L501 P502 I503 S510 I511 F516 W523	L501-M506 HydrophobicContact CB-SD 3.85Å; L501-M506 HydrophobicContact CD1-CE 4.36Å; L501-M506 HydrophobicContact CD1-SD 4.41Å; L501-M506 HydrophobicContact CD2-SD 4.46Å; L501-M506 HydrophobicContact CG-SD 4.48Å; P502-M506 HydrophobicContact CG-CG 4.25Å; P502-M506 HydrophobicContact CG-SD 4.42Å; P502-M506 PolarHBondContact O-N 3.5Å; I503-M506 HydrophobicContact CG2-SD 4.23Å; I503-M506 PolarHBondContact O-N 3.39Å; M506-S510 WeakPolarHBondContact CE-O 3.43Å; M506-I511 HydrophobicContact CB-CD1 4.18Å; M506-I511 HydrophobicContact CB-CG1 3.76Å; M506-I511 HydrophobicContact CE-CG1 4.22Å; M506-F516 HydrophobicContact CE-CE1 4.01Å; M506-F516 HydrophobicContact CE-CZ 3.93Å; M506-W523 PolarHBondContact O-NE1 3.1Å
507	P	98.1	Very high	89.3	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.006	23%	0.225	C	C	.	.			trans	-77.8	167	171.3	33.5	-37.9	0	0	0	112.8	E509 S510 I511 W523	P507-E509 VanDerWaalsContact C-N 3.32Å; P507-E509 WeakPolarHBondContact CB-OE1 3.45Å; P507-E509 WeakPolarHBondContact CB-OE2 3.37Å; P507-E509 WeakPolarHBondContact CG-OE1 3.45Å; P507-E509 PolarHBondContact O-N 2.88Å; P507-S510 WeakPolarHBondContact CD-OG 3.25Å; P507-S510 VanDerWaalsContact CG-OG 3.25Å; P507-S510 WeakPolarHBondContact CG-OG 3.42Å; P507-S510 PolarHBondContact O-N 3.47Å; P507-S510 VanDerWaalsContact O-N 3.15Å; P507-I511 WeakPolarHBondContact O-CG1 3.47Å; P507-I511 PolarHBondContact O-N 3.32Å; P507-I511 VanDerWaalsContact O-N 3.12Å; P507-W523 HydrophobicContact CB-CB 3.8Å; P507-W523 HydrophobicContact CB-CD2 3.52Å; P507-W523 HydrophobicContact CB-CE3 3.82Å; P507-W523 HydrophobicContact CB-CG 3.5Å; P507-W523 HydrophobicContact CG-CB 4.24Å; P507-W523 HydrophobicContact CG-CG 4.28Å
508	P	97.2	Very high	90.8	Very high	8 Å²	8	45.6 Å²	45.6	5%	0.052	21%	0.207	C	C	.	.	H	α-helix	trans	-54.2	-40.5	-179.4	-26.2	34.5	0	0	0	114.1	I511 L512 W523 I552	P508-I511 PolarHBondContact O-N 3.34Å; P508-L512 HydrophobicContact CB-CD1 4.48Å; P508-L512 VanDerWaalsContact O-CB 3.25Å; P508-L512 WeakPolarHBondContact O-CB 3.43Å; P508-L512 VanDerWaalsContact O-CG 3.25Å; P508-L512 WeakPolarHBondContact O-CG 3.46Å; P508-L512 PolarHBondContact O-N 3.41Å; P508-W523 HydrophobicContact CG-CH2 4.1Å; P508-W523 HydrophobicContact CG-CZ3 4.29Å; P508-I552 HydrophobicContact CG-CG2 3.91Å
509	E	97.4	Very high	92.6	Very high	17 Å²	17	40 Å²	40	8%	0.079	19%	0.189	C	C	.	.	H	α-helix	trans	-71.4	-29.3	-178.8	73	-74.4	176.9	0	0	113.8	P507 Y513 R514 K515 P580 R583	P507-E509 VanDerWaalsContact C-N 3.32Å; P507-E509 WeakPolarHBondContact CB-OE1 3.45Å; P507-E509 WeakPolarHBondContact CB-OE2 3.37Å; P507-E509 WeakPolarHBondContact CG-OE1 3.45Å; P507-E509 PolarHBondContact O-N 2.88Å; E509-Y513 HydrophobicContact CB-CD2 4.07Å; E509-Y513 CarbonylContact O-C 3.58Å; E509-Y513 WeakPolarHBondContact O-CA 3.44Å; E509-Y513 WeakPolarHBondContact O-CB 3.34Å; E509-Y513 PolarHBondContact O-N 2.91Å; E509-R514 PolarHBondContact O-N 2.76Å; E509-K515 HydrophobicContact CB-CB 4.44Å; E509-K515 HydrophobicContact CG-CB 4.18Å; E509-K515 PolarHBondContact O-N 2.99Å; E509-P580 HydrophobicContact CG-CG 4.12Å; E509-R583 IonicContact OE1-CZ 2.71Å; E509-R583 IonicContact OE1-NH1 3.87Å; E509-R583 PolarHBondContact OE1-NH1 3.08Å; E509-R583 IonicContact OE1-NH2 2.63Å; E509-R583 PolarHBondContact OE1-NH2 3.48Å; E509-R583 IonicContact OE2-CZ 2.69Å; E509-R583 IonicContact OE2-NH1 2.6Å; E509-R583 IonicContact OE2-NH2 3.48Å; E509-R583 PolarHBondContact OE2-NH2 3.29Å
510	S	95.6	Very high	93.9	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-75	-35.5	173.8	-53.1	0	0	0	0	111.3	M506 P507 R514 K515	M506-S510 WeakPolarHBondContact CE-O 3.43Å; P507-S510 WeakPolarHBondContact CD-OG 3.25Å; P507-S510 VanDerWaalsContact CG-OG 3.25Å; P507-S510 WeakPolarHBondContact CG-OG 3.42Å; P507-S510 PolarHBondContact O-N 3.47Å; P507-S510 VanDerWaalsContact O-N 3.15Å; S510-R514 WeakPolarHBondContact O-CA 3.2Å; S510-R514 WeakPolarHBondContact O-CD 3.4Å; S510-R514 PolarHBondContact O-N 2.75Å; S510-K515 VanDerWaalsContact CA-O 3.26Å; S510-K515 WeakPolarHBondContact CA-O 3.3Å; S510-K515 WeakPolarHBondContact CB-O 3.44Å; S510-K515 PolarHBondContact OG-O 3.44Å
511	I	92.3	Very high	94.7	Very high	28 Å²	28	35.7 Å²	35.7	14%	0.144	17%	0.166	C	C	.	.	H	α-helix	trans	-70.1	-51.2	175.9	-65.9	173.5	0	0	0	110.8	M506 P507 P508 I549 I552 T553	M506-I511 HydrophobicContact CB-CD1 4.18Å; M506-I511 HydrophobicContact CB-CG1 3.76Å; M506-I511 HydrophobicContact CE-CG1 4.22Å; P507-I511 WeakPolarHBondContact O-CG1 3.47Å; P507-I511 PolarHBondContact O-N 3.32Å; P507-I511 VanDerWaalsContact O-N 3.12Å; P508-I511 PolarHBondContact O-N 3.34Å; I511-I549 HydrophobicContact CG2-CG1 4.44Å; I511-I549 HydrophobicContact CG2-CG2 3.99Å; I511-I552 HydrophobicContact CD1-CB 4.17Å; I511-I552 HydrophobicContact CD1-CD1 4.02Å; I511-I552 HydrophobicContact CD1-CG2 3.74Å; I511-T553 HydrophobicContact CG2-CG2 4.08Å
512	L	90.7	Very high	95.4	Very high	83 Å²	83	35.3 Å²	35.3	44%	0.435	16%	0.164	S	C	.	.	H	α-helix	trans	-80.8	-39.2	-172.6	-66	170.6	0	0	0	113.6	P508 T553	P508-L512 HydrophobicContact CB-CD1 4.48Å; P508-L512 VanDerWaalsContact O-CB 3.25Å; P508-L512 WeakPolarHBondContact O-CB 3.43Å; P508-L512 VanDerWaalsContact O-CG 3.25Å; P508-L512 WeakPolarHBondContact O-CG 3.46Å; P508-L512 PolarHBondContact O-N 3.41Å; L512-T553 HydrophobicContact CD1-CG2 4.1Å; L512-T553 HydrophobicContact CD2-CG2 3.75Å; L512-T553 HydrophobicContact CG-CG2 3.83Å
513	Y	90.3	Very high	95.7	Very high	156 Å²	156	35.5 Å²	35.5	61%	0.612	16%	0.164	S	C	*	.	H	α-helix	trans	-124.8	5.4	-167.3	-46.1	-56.3	0	0	0	113.7	E509 K515	E509-Y513 HydrophobicContact CB-CD2 4.07Å; E509-Y513 CarbonylContact O-C 3.58Å; E509-Y513 WeakPolarHBondContact O-CA 3.44Å; E509-Y513 WeakPolarHBondContact O-CB 3.34Å; E509-Y513 PolarHBondContact O-N 2.91Å; Y513-K515 PolarHBondContact O-N 2.99Å; Y513-K515 VanDerWaalsContact O-N 3.08Å
514	R	88.9	Confident	95.9	Very high	88 Å²	88	35.5 Å²	35.5	33%	0.332	16%	0.164	S	C	.	.			trans	53.4	26	-177.2	-56.6	-50.6	-166.2	106.7	2.5	114.5	E509 S510 F516	E509-R514 PolarHBondContact O-N 2.76Å; S510-R514 WeakPolarHBondContact O-CA 3.2Å; S510-R514 WeakPolarHBondContact O-CD 3.4Å; S510-R514 PolarHBondContact O-N 2.75Å; R514-F516 WeakPolarHBondContact O-CD2 3.27Å; R514-F516 WeakPolarHBondContact O-CE2 3.46Å
515	K	93.3	Very high	96	Very high	129 Å²	129	35.1 Å²	35.1	56%	0.561	16%	0.163	S	C	*	.			trans	-81.8	128.1	176.1	-68.2	-176.5	177.9	-177.4	0	109.8	E509 S510 Y513	E509-K515 HydrophobicContact CB-CB 4.44Å; E509-K515 HydrophobicContact CG-CB 4.18Å; E509-K515 PolarHBondContact O-N 2.99Å; S510-K515 VanDerWaalsContact CA-O 3.26Å; S510-K515 WeakPolarHBondContact CA-O 3.3Å; S510-K515 WeakPolarHBondContact CB-O 3.44Å; S510-K515 PolarHBondContact OG-O 3.44Å; Y513-K515 PolarHBondContact O-N 2.99Å; Y513-K515 VanDerWaalsContact O-N 3.08Å
516	F	92.9	Very high	96.1	Very high	42 Å²	42	35 Å²	35	18%	0.184	16%	0.162	C	C	.	.			trans	-127.3	123	176	-62.6	-85.3	0	0	0	108.7	V459 R461 M506 R514	V459-F516 HydrophobicContact CG1-CB 4.26Å; R461-F516 HydrophobicContact CB-CD1 3.91Å; R461-F516 HydrophobicContact CB-CE1 4.26Å; R461-F516 HydrophobicContact CG-CB 3.99Å; R461-F516 HydrophobicContact CG-CD1 3.88Å; R461-F516 HydrophobicContact CG-CG 4.05Å; M506-F516 HydrophobicContact CE-CE1 4.01Å; M506-F516 HydrophobicContact CE-CZ 3.93Å; R514-F516 WeakPolarHBondContact O-CD2 3.27Å; R514-F516 WeakPolarHBondContact O-CE2 3.46Å
517	T	96.9	Very high	96.1	Very high	48 Å²	48	35 Å²	35	29%	0.294	16%	0.162	S	C	.	.			trans	-144.3	173.2	-178	70	0	0	0	0	110.5	V459 E519 S520 D521	V459-T517 WeakPolarHBondContact CG1-O 3.37Å; T517-E519 WeakPolarHBondContact CB-OE2 3.18Å; T517-E519 PolarHBondContact O-N 3.06Å; T517-E519 PolarHBondContact OG1-N 2.8Å; T517-E519 PolarHBondContact OG1-OE2 3.24Å; T517-S520 PolarHBondContact N-OG 3.13Å; T517-S520 WeakPolarHBondContact O-CA 3.43Å; T517-S520 WeakPolarHBondContact O-CB 3.41Å; T517-S520 PolarHBondContact O-N 3.02Å; T517-S520 PolarHBondContact O-OG 2.88Å; T517-S520 PolarHBondContact OG1-N 3.15Å; T517-D521 PolarHBondContact O-N 2.9Å
518	T	97.3	Very high	96.1	Very high	39 Å²	39	35 Å²	35	24%	0.239	16%	0.162	C	C	.	.	H	α-helix	trans	-54.1	-33.6	171.5	32.4	0	0	0	0	112.9	A454 S520 D521 V522	A454-T518 HydrophobicContact CB-CG2 3.7Å; T518-S520 VanDerWaalsContact C-N 3.34Å; T518-D521 PolarHBondContact O-N 3.47Å; T518-V522 WeakPolarHBondContact O-CG2 3.48Å; T518-V522 PolarHBondContact O-N 3.49Å; T518-V522 VanDerWaalsContact O-N 3.1Å
519	E	98.6	Very high	96.2	Very high	65 Å²	65	34.6 Å²	34.6	30%	0.304	16%	0.16	S	C	.	.	H	α-helix	trans	-75.1	-24.3	177.2	-54.3	66.6	-124.4	0	0	112	T517 W523 P580 R583	T517-E519 WeakPolarHBondContact CB-OE2 3.18Å; T517-E519 PolarHBondContact O-N 3.06Å; T517-E519 PolarHBondContact OG1-N 2.8Å; T517-E519 PolarHBondContact OG1-OE2 3.24Å; E519-W523 PolarHBondContact O-N 2.88Å; E519-P580 HydrophobicContact CB-CB 3.76Å; E519-P580 HydrophobicContact CG-CB 4.28Å; E519-R583 WeakPolarHBondContact O-CD 3.44Å; E519-R583 PolarHBondContact O-NH1 3.01Å
520	S	98.3	Very high	96.3	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.014	16%	0.159	C	C	.	.	H	α-helix	trans	-72.8	-35.3	170.8	73.8	0	0	0	0	111.9	T517 T518 V522 W523 S524	T517-S520 PolarHBondContact N-OG 3.13Å; T517-S520 WeakPolarHBondContact O-CA 3.43Å; T517-S520 WeakPolarHBondContact O-CB 3.41Å; T517-S520 PolarHBondContact O-N 3.02Å; T517-S520 PolarHBondContact O-OG 2.88Å; T517-S520 PolarHBondContact OG1-N 3.15Å; T518-S520 VanDerWaalsContact C-N 3.34Å; S520-V522 VanDerWaalsContact C-N 3.34Å; S520-W523 WeakPolarHBondContact O-CB 3.35Å; S520-W523 PolarHBondContact O-N 3.08Å; S520-S524 PolarHBondContact O-N 3.07Å; S520-S524 PolarHBondContact O-OG 3.44Å
521	D	98.2	Very high	96.4	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.016	16%	0.159	C	C	.	.	H	α-helix	trans	-70.2	-30.5	172.1	-69.3	-28.8	0	0	0	112.2	M450 V459 H460 R461 T517 T518 W523 S524 F525	M450-D521 HydrophobicContact CE-CB 3.59Å; V459-D521 VanDerWaalsContact CA-OD2 3.3Å; V459-D521 WeakPolarHBondContact CA-OD2 3.25Å; V459-D521 WeakPolarHBondContact CG1-OD2 3.41Å; H460-D521 PolarHBondContact N-OD1 2.98Å; H460-D521 PolarHBondContact N-OD2 3.09Å; R461-D521 PolarHBondContact N-OD1 2.93Å; T517-D521 PolarHBondContact O-N 2.9Å; T518-D521 PolarHBondContact O-N 3.47Å; D521-W523 VanDerWaalsContact C-N 3.31Å; D521-W523 PolarHBondContact O-N 2.89Å; D521-S524 CarbonylContact O-C 3.5Å; D521-S524 WeakPolarHBondContact O-CB 3.26Å; D521-S524 PolarHBondContact O-N 3.29Å; D521-F525 WeakPolarHBondContact O-CB 3.22Å; D521-F525 PolarHBondContact O-N 3.17Å
522	V	98.8	Very high	96.6	Very high	7 Å²	7	33.3 Å²	33.3	4%	0.042	15%	0.152	C	C	.	.	H	α-helix	trans	-60.1	-40.9	171.1	167	0	0	0	0	111.3	T518 S520 F525 G526 C575 R583 H584 I586	T518-V522 WeakPolarHBondContact O-CG2 3.48Å; T518-V522 PolarHBondContact O-N 3.49Å; T518-V522 VanDerWaalsContact O-N 3.1Å; S520-V522 VanDerWaalsContact C-N 3.34Å; V522-F525 WeakPolarHBondContact O-CB 3.45Å; V522-F525 PolarHBondContact O-N 3.31Å; V522-G526 PolarHBondContact O-N 3.02Å; V522-C575 HydrophobicContact CG1-CB 4.04Å; V522-C575 WeakPolarHBondContact O-CB 3.33Å; V522-R583 HydrophobicContact CG1-CB 4.06Å; V522-H584 WeakPolarHBondContact CG1-O 3.48Å; V522-I586 HydrophobicContact CG2-CB 4Å
523	W	98.8	Very high	96.9	Very high	13 Å²	13	29.5 Å²	29.5	5%	0.049	13%	0.132	C	C	.	.	H	α-helix	trans	-61.3	-49.2	173.7	177.1	-72.3	0	0	0	111.1	W505 M506 P507 P508 E519 S520 D521 F525 G526 V527 I552 W576	W505-W523 VanDerWaalsContact O-CD1 3.26Å; M506-W523 PolarHBondContact O-NE1 3.1Å; P507-W523 HydrophobicContact CB-CB 3.8Å; P507-W523 HydrophobicContact CB-CD2 3.52Å; P507-W523 HydrophobicContact CB-CE3 3.82Å; P507-W523 HydrophobicContact CB-CG 3.5Å; P507-W523 HydrophobicContact CG-CB 4.24Å; P507-W523 HydrophobicContact CG-CG 4.28Å; P508-W523 HydrophobicContact CG-CH2 4.1Å; P508-W523 HydrophobicContact CG-CZ3 4.29Å; E519-W523 PolarHBondContact O-N 2.88Å; S520-W523 WeakPolarHBondContact O-CB 3.35Å; S520-W523 PolarHBondContact O-N 3.08Å; D521-W523 VanDerWaalsContact C-N 3.31Å; D521-W523 PolarHBondContact O-N 2.89Å; W523-F525 VanDerWaalsContact C-N 3.25Å; W523-F525 PolarHBondContact O-N 3.44Å; W523-G526 WeakPolarHBondContact O-CA 3.25Å; W523-G526 PolarHBondContact O-N 3.49Å; W523-V527 PolarHBondContact O-N 2.87Å; W523-V527 VanDerWaalsContact O-N 3.14Å; W523-I552 HydrophobicContact CH2-CG2 4.44Å; W523-I552 HydrophobicContact CZ2-CG2 3.93Å; W523-W576 AromaticContact CD2-CD1 3.71Å; W523-W576 HydrophobicContact CD2-CG 4.49Å; W523-W576 AromaticContact CE2-CD1 3.83Å; W523-W576 HydrophobicContact CE3-CB 4.17Å; W523-W576 AromaticContact CG-CD1 3.98Å; W523-W576 HydrophobicContact CH2-CB 4.16Å; W523-W576 HydrophobicContact CZ3-CB 3.95Å; W523-W576 VanDerWaalsContact CZ3-O 3.25Å; W523-W576 WeakPolarHBondContact CZ3-O 3.46Å; W523-W576 PolarHBondContact O-NE1 3.35Å
524	S	98.6	Very high	97.2	Very high	4 Å²	4	22.8 Å²	22.8	3%	0.028	11%	0.107	C	C	.	.	H	α-helix	trans	-57.8	-38	176.4	-53.1	0	0	0	0	111.8	W505 S520 D521 G526 V527 V528	W505-S524 PolarHBondContact O-OG 3.17Å; W505-S524 VanDerWaalsContact O-OG 3.07Å; S520-S524 PolarHBondContact O-N 3.07Å; S520-S524 PolarHBondContact O-OG 3.44Å; D521-S524 CarbonylContact O-C 3.5Å; D521-S524 WeakPolarHBondContact O-CB 3.26Å; D521-S524 PolarHBondContact O-N 3.29Å; S524-G526 PolarHBondContact O-N 3.18Å; S524-V527 CarbonylContact O-C 3.58Å; S524-V527 WeakPolarHBondContact O-CA 3.46Å; S524-V527 WeakPolarHBondContact O-CB 3.47Å; S524-V527 PolarHBondContact O-N 3.05Å; S524-V527 VanDerWaalsContact O-N 3.09Å; S524-V528 PolarHBondContact O-N 3.37Å
525	F	98.9	Very high	97.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.3	-39.2	173.6	-180	-89.9	0	0	0	112.2	V446 A447 L463 D521 V522 W523 V527 V528 L529 I586 V589 L593	V446-F525 HydrophobicContact CB-CE2 4.1Å; V446-F525 HydrophobicContact CG1-CD2 4.05Å; V446-F525 HydrophobicContact CG1-CE2 3.93Å; A447-F525 HydrophobicContact CB-CE1 4.48Å; A447-F525 HydrophobicContact CB-CE2 3.76Å; A447-F525 HydrophobicContact CB-CZ 3.69Å; L463-F525 HydrophobicContact CD2-CB 3.82Å; L463-F525 HydrophobicContact CD2-CD2 4.35Å; D521-F525 WeakPolarHBondContact O-CB 3.22Å; D521-F525 PolarHBondContact O-N 3.17Å; V522-F525 WeakPolarHBondContact O-CB 3.45Å; V522-F525 PolarHBondContact O-N 3.31Å; W523-F525 VanDerWaalsContact C-N 3.25Å; W523-F525 PolarHBondContact O-N 3.44Å; F525-V527 PolarHBondContact O-N 3.29Å; F525-V528 PolarHBondContact O-N 3.07Å; F525-L529 HydrophobicContact CE1-CD2 4.5Å; F525-L529 PolarHBondContact O-N 3.37Å; F525-I586 HydrophobicContact CB-CD1 4.35Å; F525-I586 HydrophobicContact CD1-CD1 4.24Å; F525-I586 HydrophobicContact CD2-CD1 4.31Å; F525-I586 HydrophobicContact CG-CD1 3.99Å; F525-V589 HydrophobicContact CD1-CG1 3.71Å; F525-V589 HydrophobicContact CE1-CG1 3.35Å; F525-V589 HydrophobicContact CZ-CG1 4.26Å; F525-L593 HydrophobicContact CE1-CD1 3.76Å; F525-L593 HydrophobicContact CZ-CD1 3.51Å
526	G	98.8	Very high	97.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-57.9	-38.7	171	0	0	0	0	0	112.3	V522 W523 S524 L529 W530 W576	V522-G526 PolarHBondContact O-N 3.02Å; W523-G526 WeakPolarHBondContact O-CA 3.25Å; W523-G526 PolarHBondContact O-N 3.49Å; S524-G526 PolarHBondContact O-N 3.18Å; G526-L529 PolarHBondContact O-N 3.02Å; G526-W530 PolarHBondContact O-N 2.75Å; G526-W530 VanDerWaalsContact O-N 3.13Å; G526-W576 VanDerWaalsContact O-CZ2 3.25Å; G526-W576 WeakPolarHBondContact O-CZ2 3.42Å
527	V	98.8	Very high	97.5	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.012	8%	0.077	C	C	.	.	H	α-helix	trans	-70.2	-40.4	174.4	-174.7	0	0	0	0	111.8	W505 W523 S524 F525 L529 W530 E531 P539 L558 W576	W505-V527 HydrophobicContact CD2-CG1 4.39Å; W505-V527 HydrophobicContact CG-CB 4.4Å; W505-V527 HydrophobicContact CG-CG1 3.97Å; W523-V527 PolarHBondContact O-N 2.87Å; W523-V527 VanDerWaalsContact O-N 3.14Å; S524-V527 CarbonylContact O-C 3.58Å; S524-V527 WeakPolarHBondContact O-CA 3.46Å; S524-V527 WeakPolarHBondContact O-CB 3.47Å; S524-V527 PolarHBondContact O-N 3.05Å; S524-V527 VanDerWaalsContact O-N 3.09Å; F525-V527 PolarHBondContact O-N 3.29Å; V527-L529 VanDerWaalsContact C-N 3.29Å; V527-L529 PolarHBondContact O-N 2.79Å; V527-W530 CarbonylContact O-C 3.6Å; V527-W530 WeakPolarHBondContact O-CA 3.2Å; V527-W530 WeakPolarHBondContact O-CB 3.49Å; V527-W530 PolarHBondContact O-N 3.17Å; V527-E531 PolarHBondContact O-N 3.14Å; V527-P539 HydrophobicContact CG1-CB 3.86Å; V527-P539 HydrophobicContact CG1-CG 3.36Å; V527-L558 HydrophobicContact CG1-CD1 4.24Å; V527-L558 HydrophobicContact CG2-CD1 4.35Å; V527-W576 HydrophobicContact CG2-CZ2 4.35Å
528	V	98.7	Very high	97.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58.5	-40.7	171.6	166.3	0	0	0	0	111.8	V446 L463 T465 S524 F525 W530 E531 I532	V446-V528 HydrophobicContact CG1-CG1 4.34Å; L463-V528 HydrophobicContact CG-CG2 4.12Å; T465-V528 HydrophobicContact CG2-CG1 3.97Å; S524-V528 PolarHBondContact O-N 3.37Å; F525-V528 PolarHBondContact O-N 3.07Å; V528-W530 VanDerWaalsContact C-N 3.28Å; V528-W530 PolarHBondContact O-N 3.12Å; V528-E531 WeakPolarHBondContact O-CB 3.34Å; V528-E531 PolarHBondContact O-N 2.84Å; V528-I532 HydrophobicContact CG1-CD1 3.85Å; V528-I532 HydrophobicContact CG1-CG1 4.44Å; V528-I532 VanDerWaalsContact O-CG1 3.31Å; V528-I532 WeakPolarHBondContact O-CG1 3.36Å; V528-I532 PolarHBondContact O-N 3.25Å
529	L	98.4	Very high	97.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-62.2	-38.8	175	-162.3	62.2	0	0	0	110.6	A443 F525 G526 V527 I532 F533 V568 I571 M572 L593	A443-L529 HydrophobicContact CB-CD1 3.43Å; A443-L529 VanDerWaalsContact CB-CD1 3.43Å; F525-L529 HydrophobicContact CE1-CD2 4.5Å; F525-L529 PolarHBondContact O-N 3.37Å; G526-L529 PolarHBondContact O-N 3.02Å; V527-L529 VanDerWaalsContact C-N 3.29Å; V527-L529 PolarHBondContact O-N 2.79Å; L529-I532 PolarHBondContact O-N 3.17Å; L529-F533 HydrophobicContact CD1-CD2 4.25Å; L529-F533 HydrophobicContact CD1-CE2 4.01Å; L529-F533 HydrophobicContact CG-CD2 4.46Å; L529-F533 WeakPolarHBondContact O-CD2 3.28Å; L529-F533 PolarHBondContact O-N 3.36Å; L529-F533 VanDerWaalsContact O-N 3.17Å; L529-V568 HydrophobicContact CD1-CG1 4.17Å; L529-V568 HydrophobicContact CD2-CG1 3.84Å; L529-V568 HydrophobicContact CG-CG1 3.93Å; L529-I571 HydrophobicContact CD2-CB 4.17Å; L529-I571 HydrophobicContact CD2-CG2 3.93Å; L529-M572 HydrophobicContact CB-CE 4.17Å; L529-M572 HydrophobicContact CB-CG 4.19Å; L529-M572 HydrophobicContact CD2-CE 4.37Å; L529-M572 HydrophobicContact CD2-CG 3.81Å; L529-M572 HydrophobicContact CG-CE 3.85Å; L529-M572 HydrophobicContact CG-CG 4.15Å; L529-M572 WeakPolarHBondContact O-CE 3.44Å; L529-L593 HydrophobicContact CD1-CD2 4.04Å; L529-L593 HydrophobicContact CD2-CD2 4.37Å
530	W	98.6	Very high	97.4	Very high	18 Å²	18	11.4 Å²	11.4	7%	0.068	5%	0.051	C	C	.	.	H	α-helix	trans	-65.9	-40.5	173.3	-171.3	94.8	0	0	0	112.7	G526 V527 V528 F533 T534 K537 P539 L558 E559 P561 M572 W576	G526-W530 PolarHBondContact O-N 2.75Å; G526-W530 VanDerWaalsContact O-N 3.13Å; V527-W530 CarbonylContact O-C 3.6Å; V527-W530 WeakPolarHBondContact O-CA 3.2Å; V527-W530 WeakPolarHBondContact O-CB 3.49Å; V527-W530 PolarHBondContact O-N 3.17Å; V528-W530 VanDerWaalsContact C-N 3.28Å; V528-W530 PolarHBondContact O-N 3.12Å; W530-F533 PolarHBondContact O-N 3.18Å; W530-T534 HydrophobicContact CD2-CG2 3.88Å; W530-T534 HydrophobicContact CE3-CG2 4.02Å; W530-T534 HydrophobicContact CH2-CG2 3.91Å; W530-T534 HydrophobicContact CZ2-CG2 3.76Å; W530-T534 HydrophobicContact CZ3-CG2 4.03Å; W530-T534 WeakPolarHBondContact O-CB 3.29Å; W530-T534 WeakPolarHBondContact O-CG2 3.31Å; W530-T534 PolarHBondContact O-N 3.15Å; W530-T534 PolarHBondContact O-OG1 2.86Å; W530-K537 HydrophobicContact CH2-CB 4.35Å; W530-K537 HydrophobicContact CZ3-CB 4.23Å; W530-P539 HydrophobicContact CE3-CB 4.41Å; W530-P539 HydrophobicContact CE3-CG 4.35Å; W530-P539 HydrophobicContact CZ3-CB 4.35Å; W530-P539 HydrophobicContact CZ3-CG 4.41Å; W530-L558 HydrophobicContact CB-CD1 4.24Å; W530-L558 HydrophobicContact CD2-CB 4.43Å; W530-L558 HydrophobicContact CD2-CD1 4.02Å; W530-L558 HydrophobicContact CD2-CD2 4.5Å; W530-L558 HydrophobicContact CE3-CD1 4.44Å; W530-L558 HydrophobicContact CG-CB 4.21Å; W530-L558 HydrophobicContact CG-CD1 3.93Å; W530-L558 HydrophobicContact CZ2-CD2 4.27Å; W530-E559 PolarHBondContact NE1-O 2.92Å; W530-P561 HydrophobicContact CG-CG 4.28Å; W530-M572 HydrophobicContact CB-CE 4.37Å; W530-M572 HydrophobicContact CB-SD 4.11Å; W530-W576 HydrophobicContact CB-CH2 4.15Å; W530-W576 HydrophobicContact CB-CZ2 4.18Å; W530-W576 HydrophobicContact CG-CH2 4.39Å
531	E	98.2	Very high	97.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60	-46.5	173.8	-67.9	-177.8	86.4	0	0	111.7	N410 T465 W505 V527 V528 F533 T534 Y535 G536 P539	N410-E531 PolarHBondContact ND2-OE1 2.76Å; N410-E531 VanDerWaalsContact ND2-OE1 3.15Å; T465-E531 HydrophobicContact CG2-CB 3.57Å; T465-E531 HydrophobicContact CG2-CG 4.28Å; T465-E531 PolarHBondContact N-OE2 2.79Å; T465-E531 VanDerWaalsContact OG1-CD 3.24Å; T465-E531 PolarHBondContact OG1-OE1 3.13Å; W505-E531 HydrophobicContact CZ2-CG 4.42Å; W505-E531 VanDerWaalsContact NE1-CD 3.35Å; W505-E531 PolarHBondContact NE1-OE2 3.38Å; V527-E531 PolarHBondContact O-N 3.14Å; V528-E531 WeakPolarHBondContact O-CB 3.34Å; V528-E531 PolarHBondContact O-N 2.84Å; E531-F533 PolarHBondContact O-N 2.63Å; E531-T534 WeakPolarHBondContact CA-OG1 3.24Å; E531-T534 CarbonylContact O-C 3.54Å; E531-T534 PolarHBondContact O-N 3.37Å; E531-T534 VanDerWaalsContact O-N 3.17Å; E531-T534 PolarHBondContact O-OG1 3.37Å; E531-Y535 PolarHBondContact O-N 2.82Å; E531-G536 PolarHBondContact O-N 3.46Å; E531-P539 HydrophobicContact CG-CG 4.29Å
532	I	97.8	Very high	96.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-56.4	-50.3	178.1	-69.7	162.5	0	0	0	110.3	L413 L439 V442 A443 T465 V528 L529 T534 Y535	L413-I532 HydrophobicContact CD1-CG1 4.11Å; L439-I532 HydrophobicContact CB-CG2 3.99Å; L439-I532 HydrophobicContact CD2-CG2 3.81Å; L439-I532 HydrophobicContact CG-CG2 4.46Å; V442-I532 HydrophobicContact CG1-CD1 3.87Å; V442-I532 HydrophobicContact CG1-CG1 4.08Å; V442-I532 HydrophobicContact CG1-CG2 4.48Å; A443-I532 HydrophobicContact CB-CD1 3.98Å; T465-I532 HydrophobicContact CG2-CG1 4.26Å; V528-I532 HydrophobicContact CG1-CD1 3.85Å; V528-I532 HydrophobicContact CG1-CG1 4.44Å; V528-I532 VanDerWaalsContact O-CG1 3.31Å; V528-I532 WeakPolarHBondContact O-CG1 3.36Å; V528-I532 PolarHBondContact O-N 3.25Å; L529-I532 PolarHBondContact O-N 3.17Å; I532-T534 PolarHBondContact O-N 2.88Å; I532-Y535 PolarHBondContact O-N 3.36Å
533	F	96.4	Very high	96.6	Very high	3 Å²	3	26.7 Å²	26.7	1%	0.013	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	0.8	-178.1	-78.4	-92.5	0	0	0	114.8	L436 L439 L440 L529 W530 E531 P561 C564 V568 M572	L436-F533 HydrophobicContact CD1-CE1 3.57Å; L436-F533 HydrophobicContact CD1-CZ 3.94Å; L439-F533 HydrophobicContact CB-CE1 4.34Å; L439-F533 HydrophobicContact CB-CE2 4.32Å; L439-F533 HydrophobicContact CB-CZ 4.02Å; L439-F533 HydrophobicContact CD1-CD1 4.28Å; L439-F533 HydrophobicContact CD1-CE1 4.22Å; L440-F533 HydrophobicContact CD2-CZ 4.11Å; L440-F533 HydrophobicContact CG-CZ 4.31Å; L529-F533 HydrophobicContact CD1-CD2 4.25Å; L529-F533 HydrophobicContact CD1-CE2 4.01Å; L529-F533 HydrophobicContact CG-CD2 4.46Å; L529-F533 WeakPolarHBondContact O-CD2 3.28Å; L529-F533 PolarHBondContact O-N 3.36Å; L529-F533 VanDerWaalsContact O-N 3.17Å; W530-F533 PolarHBondContact O-N 3.18Å; E531-F533 PolarHBondContact O-N 2.63Å; F533-P561 HydrophobicContact CB-CB 4.23Å; F533-P561 HydrophobicContact CB-CG 4.09Å; F533-P561 VanDerWaalsContact O-CB 3.29Å; F533-P561 WeakPolarHBondContact O-CB 3.46Å; F533-C564 HydrophobicContact CB-CB 4.01Å; F533-C564 HydrophobicContact CD1-CB 3.95Å; F533-C564 HydrophobicContact CG-CB 4.18Å; F533-V568 HydrophobicContact CD2-CG1 3.97Å; F533-V568 HydrophobicContact CE1-CG1 4.4Å; F533-V568 HydrophobicContact CE1-CG2 4.45Å; F533-V568 HydrophobicContact CE2-CG1 3.59Å; F533-V568 HydrophobicContact CZ-CB 4.43Å; F533-V568 HydrophobicContact CZ-CG1 3.82Å; F533-V568 HydrophobicContact CZ-CG2 4.03Å; F533-M572 HydrophobicContact CB-CE 4.33Å; F533-M572 HydrophobicContact CD2-CE 4.39Å
534	T	95.5	Very high	96.4	Very high	16 Å²	16	28.8 Å²	28.8	10%	0.098	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	7.2	170.1	55.3	0	0	0	0	113.5	W530 E531 I532 K537 P561	W530-T534 HydrophobicContact CD2-CG2 3.88Å; W530-T534 HydrophobicContact CE3-CG2 4.02Å; W530-T534 HydrophobicContact CH2-CG2 3.91Å; W530-T534 HydrophobicContact CZ2-CG2 3.76Å; W530-T534 HydrophobicContact CZ3-CG2 4.03Å; W530-T534 WeakPolarHBondContact O-CB 3.29Å; W530-T534 WeakPolarHBondContact O-CG2 3.31Å; W530-T534 PolarHBondContact O-N 3.15Å; W530-T534 PolarHBondContact O-OG1 2.86Å; E531-T534 WeakPolarHBondContact CA-OG1 3.24Å; E531-T534 CarbonylContact O-C 3.54Å; E531-T534 PolarHBondContact O-N 3.37Å; E531-T534 VanDerWaalsContact O-N 3.17Å; E531-T534 PolarHBondContact O-OG1 3.37Å; I532-T534 PolarHBondContact O-N 2.88Å; T534-K537 WeakPolarHBondContact O-CG 3.4Å; T534-P561 HydrophobicContact CG2-CB 3.64Å; T534-P561 HydrophobicContact CG2-CG 3.57Å
535	Y	94.8	Very high	96	Very high	26 Å²	26	30.2 Å²	30.2	10%	0.102	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	47.6	-175.8	-67.8	-90.7	0	0	0	113.4	L413 R414 H416 L434 L439 E531 I532	L413-Y535 WeakPolarHBondContact O-CD1 3.33Å; R414-Y535 WeakPolarHBondContact CG-O 3.28Å; H416-Y535 HydrophobicContact CB-CE1 4.43Å; H416-Y535 WeakPolarHBondContact O-CE1 3.41Å; L434-Y535 HydrophobicContact CB-CE1 4.24Å; L434-Y535 HydrophobicContact CG-CE1 4.32Å; L434-Y535 PolarHBondContact N-OH 3.43Å; L434-Y535 VanDerWaalsContact N-OH 3.09Å; L434-Y535 PolarHBondContact O-OH 2.99Å; L439-Y535 HydrophobicContact CD2-CE1 4.44Å; E531-Y535 PolarHBondContact O-N 2.82Å; I532-Y535 PolarHBondContact O-N 3.36Å
536	G	93.9	Very high	95.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	78.7	16.5	172.2	0	0	0	0	0	115.1	N410 R414 E531	N410-G536 PolarHBondContact ND2-O 3.02Å; N410-G536 VanDerWaalsContact ND2-O 3.12Å; R414-G536 PolarHBondContact NE-O 3.17Å; R414-G536 VanDerWaalsContact NE-O 3.14Å; R414-G536 PolarHBondContact NH2-O 3.44Å; E531-G536 PolarHBondContact O-N 3.46Å
537	K	94.3	Very high	95.6	Very high	75 Å²	75	38.5 Å²	38.5	33%	0.326	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-60.7	148.1	174.5	-72.7	177.5	-174.8	-172.7	0	110.7	D419 W530 T534	D419-K537 WeakPolarHBondContact OD2-CE 3.44Å; D419-K537 IonicContact OD2-NZ 3.22Å; D419-K537 PolarHBondContact OD2-NZ 3.41Å; W530-K537 HydrophobicContact CH2-CB 4.35Å; W530-K537 HydrophobicContact CZ3-CB 4.23Å; T534-K537 WeakPolarHBondContact O-CG 3.4Å
538	Q	95.4	Very high	95.4	Very high	34 Å²	34	38.4 Å²	38.4	16%	0.159	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-68.8	130.1	177.4	-173.5	179.9	72.5	0	0	109.5	T490 D491 W540 Y541	T490-Q538 PolarHBondContact OG1-NE2 3.46Å; D491-Q538 PolarHBondContact OD1-NE2 3.48Å; Q538-W540 PolarHBondContact O-N 2.99Å; Q538-Y541 WeakPolarHBondContact O-CB 3.36Å; Q538-Y541 PolarHBondContact O-N 2.97Å; Q538-Y541 VanDerWaalsContact O-N 3.15Å
539	P	97.6	Very high	95.2	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	133.5	173.1	-19	30.2	0	0	0	109.9	R504 W505 V527 W530 E531 Y541 L558	R504-P539 HydrophobicContact CB-CB 4.28Å; R504-P539 WeakPolarHBondContact CD-O 3.43Å; R504-P539 PolarHBondContact NH1-O 2.98Å; W505-P539 HydrophobicContact CD2-CG 4.44Å; W505-P539 HydrophobicContact CH2-CG 4.08Å; W505-P539 VanDerWaalsContact CZ2-CD 3.45Å; W505-P539 HydrophobicContact CZ2-CG 3.69Å; V527-P539 HydrophobicContact CG1-CB 3.86Å; V527-P539 HydrophobicContact CG1-CG 3.36Å; W530-P539 HydrophobicContact CE3-CB 4.41Å; W530-P539 HydrophobicContact CE3-CG 4.35Å; W530-P539 HydrophobicContact CZ3-CB 4.35Å; W530-P539 HydrophobicContact CZ3-CG 4.41Å; E531-P539 HydrophobicContact CG-CG 4.29Å; P539-Y541 VanDerWaalsContact C-N 3.3Å; P539-Y541 PolarHBondContact O-N 3.47Å; P539-L558 HydrophobicContact CB-CD1 3.98Å; P539-L558 HydrophobicContact CB-CD2 4.07Å
540	W	95.9	Very high	95.1	Very high	37 Å²	37	43.5 Å²	43.5	14%	0.14	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	31.5	-175.5	-44.2	98	0	0	0	114.6	R504 Q538 Q542 L543 A548 C551 I552 R556 E557 L558	R504-W540 PolarHBondContact NH1-O 2.84Å; Q538-W540 PolarHBondContact O-N 2.99Å; W540-Q542 PolarHBondContact O-N 3.25Å; W540-L543 HydrophobicContact CB-CB 4.33Å; W540-L543 HydrophobicContact CB-CD1 4.25Å; W540-L543 HydrophobicContact CB-CG 4.43Å; W540-L543 HydrophobicContact CD2-CD1 4.45Å; W540-L543 HydrophobicContact CE3-CD1 3.8Å; W540-L543 PolarHBondContact O-N 3.5Å; W540-A548 HydrophobicContact CB-CB 4.21Å; W540-A548 HydrophobicContact CG-CB 4.3Å; W540-C551 HydrophobicContact CE3-CB 4.43Å; W540-C551 HydrophobicContact CH2-CB 4.14Å; W540-C551 HydrophobicContact CZ3-CB 4.06Å; W540-I552 HydrophobicContact CZ2-CG1 4.19Å; W540-R556 HydrophobicContact CH2-CB 4.13Å; W540-R556 WeakPolarHBondContact CH2-O 3.14Å; W540-E557 VanDerWaalsContact CH2-O 3.28Å; W540-E557 WeakPolarHBondContact CH2-O 3.43Å; W540-L558 HydrophobicContact CD2-CD2 3.57Å; W540-L558 HydrophobicContact CD2-CG 4.33Å; W540-L558 HydrophobicContact CE3-CD2 4.09Å; W540-L558 HydrophobicContact CG-CD2 3.81Å; W540-L558 HydrophobicContact CZ2-CD2 4.05Å; W540-L558 HydrophobicContact CZ2-CG 3.9Å
541	Y	92.8	Very high	95	Very high	135 Å²	135	43.1 Å²	43.1	53%	0.529	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-20.5	-174.3	70.1	-85.3	0	0	0	116.3	Q538 P539	Q538-Y541 WeakPolarHBondContact O-CB 3.36Å; Q538-Y541 PolarHBondContact O-N 2.97Å; Q538-Y541 VanDerWaalsContact O-N 3.15Å; P539-Y541 VanDerWaalsContact C-N 3.3Å; P539-Y541 PolarHBondContact O-N 3.47Å
542	Q	93.3	Very high	94.9	Very high	149 Å²	149	43.1 Å²	43.1	70%	0.696	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-14.7	177.3	-56.3	-179.6	16.2	0	0	113.4	W540	W540-Q542 PolarHBondContact O-N 3.25Å
543	L	93.9	Very high	94.7	Very high	49 Å²	49	44.3 Å²	44.3	26%	0.257	22%	0.219	S	C	.	.	S	Bend	trans	-108.3	147.8	-171.7	-56.5	-173.7	0	0	0	111.5	R504 W540 E547 C551	R504-L543 PolarHBondContact NH2-O 2.76Å; W540-L543 HydrophobicContact CB-CB 4.33Å; W540-L543 HydrophobicContact CB-CD1 4.25Å; W540-L543 HydrophobicContact CB-CG 4.43Å; W540-L543 HydrophobicContact CD2-CD1 4.45Å; W540-L543 HydrophobicContact CE3-CD1 3.8Å; W540-L543 PolarHBondContact O-N 3.5Å; L543-E547 HydrophobicContact CB-CB 3.98Å; L543-E547 HydrophobicContact CD1-CB 4.46Å; L543-E547 HydrophobicContact CD2-CB 4.45Å; L543-C551 HydrophobicContact CD1-CB 4.44Å; L543-C551 VanDerWaalsContact CD1-SG 3.58Å
544	S	94.3	Very high	94.7	Very high	56 Å²	56	49.8 Å²	49.8	39%	0.392	25%	0.245	S	C	.	.			trans	-66.9	166.9	165.4	71.6	0	0	0	0	111.8	T546 E547 A548	S544-T546 VanDerWaalsContact C-N 3.26Å; S544-T546 PolarHBondContact O-N 2.8Å; S544-E547 WeakPolarHBondContact CA-OE2 3.44Å; S544-E547 WeakPolarHBondContact CB-OE2 3.41Å; S544-E547 PolarHBondContact N-OE2 3Å; S544-E547 PolarHBondContact O-N 3.16Å; S544-E547 WeakPolarHBondContact OG-CG 3.35Å; S544-E547 PolarHBondContact OG-N 3.49Å; S544-E547 PolarHBondContact OG-OE2 2.78Å; S544-A548 WeakPolarHBondContact O-CB 3.22Å; S544-A548 PolarHBondContact O-N 2.96Å
545	N	90.6	Very high	94.6	Very high	34 Å²	34	51 Å²	51	18%	0.182	26%	0.261	C	S	.	.	H	α-helix	trans	-61.5	-32.7	178.3	-76.5	-13.9	0	0	0	112.9	Y493 I503 R504 I549	Y493-N545 HydrophobicContact CD2-CB 3.7Å; Y493-N545 HydrophobicContact CE2-CB 4.3Å; Y493-N545 HydrophobicContact CG-CB 4.11Å; I503-N545 HydrophobicContact CD1-CB 3.56Å; I503-N545 VanDerWaalsContact CD1-O 3.26Å; I503-N545 WeakPolarHBondContact CD1-O 3.29Å; R504-N545 PolarHBondContact NE-OD1 3.22Å; R504-N545 PolarHBondContact NH2-OD1 3.33Å; N545-I549 WeakPolarHBondContact O-CD1 3.28Å; N545-I549 VanDerWaalsContact O-CG1 3.32Å; N545-I549 WeakPolarHBondContact O-CG1 3.41Å; N545-I549 PolarHBondContact O-N 3.06Å
546	T	93.2	Very high	94.6	Very high	79 Å²	79	56.8 Å²	56.8	49%	0.485	28%	0.282	S	S	.	.	H	α-helix	trans	-71	-45.5	175.3	-46.6	0	0	0	0	111.4	S544 A548 I549 D550	S544-T546 VanDerWaalsContact C-N 3.26Å; S544-T546 PolarHBondContact O-N 2.8Å; T546-A548 VanDerWaalsContact C-N 3.31Å; T546-A548 PolarHBondContact O-N 3.13Å; T546-I549 WeakPolarHBondContact O-CB 3.1Å; T546-I549 PolarHBondContact O-N 3.2Å; T546-I549 VanDerWaalsContact O-N 3.16Å; T546-D550 PolarHBondContact O-N 2.69Å
547	E	95.8	Very high	94.7	Very high	95 Å²	95	59.1 Å²	59.1	44%	0.444	29%	0.293	S	S	.	.	H	α-helix	trans	-66.3	-32.7	179.3	-69.2	160.6	131.2	0	0	112.2	L543 S544 D550 C551	L543-E547 HydrophobicContact CB-CB 3.98Å; L543-E547 HydrophobicContact CD1-CB 4.46Å; L543-E547 HydrophobicContact CD2-CB 4.45Å; S544-E547 WeakPolarHBondContact CA-OE2 3.44Å; S544-E547 WeakPolarHBondContact CB-OE2 3.41Å; S544-E547 PolarHBondContact N-OE2 3Å; S544-E547 PolarHBondContact O-N 3.16Å; S544-E547 WeakPolarHBondContact OG-CG 3.35Å; S544-E547 PolarHBondContact OG-N 3.49Å; S544-E547 PolarHBondContact OG-OE2 2.78Å; E547-D550 PolarHBondContact O-N 2.83Å; E547-C551 WeakPolarHBondContact O-CB 3.4Å; E547-C551 PolarHBondContact O-N 3.37Å; E547-C551 PolarHBondContact O-SG 3.02Å
548	A	94.6	Very high	94.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.1	-43	171.6	0	0	0	0	0	111.8	R504 W540 S544 T546 D550 C551 I552	R504-A548 HydrophobicContact CG-CB 4.42Å; W540-A548 HydrophobicContact CB-CB 4.21Å; W540-A548 HydrophobicContact CG-CB 4.3Å; S544-A548 WeakPolarHBondContact O-CB 3.22Å; S544-A548 PolarHBondContact O-N 2.96Å; T546-A548 VanDerWaalsContact C-N 3.31Å; T546-A548 PolarHBondContact O-N 3.13Å; A548-D550 VanDerWaalsContact C-N 3.34Å; A548-D550 PolarHBondContact O-N 3.14Å; A548-C551 PolarHBondContact O-N 3.27Å; A548-I552 WeakPolarHBondContact O-CD1 3.33Å; A548-I552 VanDerWaalsContact O-CG1 3.28Å; A548-I552 WeakPolarHBondContact O-CG1 3.47Å; A548-I552 PolarHBondContact O-N 3.31Å
549	I	93.9	Very high	94.9	Very high	34 Å²	34	62.1 Å²	62.1	17%	0.174	31%	0.309	C	S	.	.	H	α-helix	trans	-58.7	-46.5	173	-72.7	164.8	0	0	0	110.5	Y493 I503 I511 N545 T546 C551 I552 T553	Y493-I549 HydrophobicContact CD1-CD1 4.05Å; Y493-I549 HydrophobicContact CE1-CD1 4.03Å; I503-I549 HydrophobicContact CB-CG1 4.44Å; I503-I549 HydrophobicContact CD1-CD1 3.95Å; I503-I549 HydrophobicContact CD1-CG1 3.88Å; I503-I549 HydrophobicContact CG2-CD1 4.44Å; I511-I549 HydrophobicContact CG2-CG1 4.44Å; I511-I549 HydrophobicContact CG2-CG2 3.99Å; N545-I549 WeakPolarHBondContact O-CD1 3.28Å; N545-I549 VanDerWaalsContact O-CG1 3.32Å; N545-I549 WeakPolarHBondContact O-CG1 3.41Å; N545-I549 PolarHBondContact O-N 3.06Å; T546-I549 WeakPolarHBondContact O-CB 3.1Å; T546-I549 PolarHBondContact O-N 3.2Å; T546-I549 VanDerWaalsContact O-N 3.16Å; I549-C551 PolarHBondContact O-N 2.98Å; I549-I552 PolarHBondContact O-N 3.04Å; I549-T553 HydrophobicContact CG2-CG2 4.36Å; I549-T553 WeakPolarHBondContact O-CB 3.47Å; I549-T553 VanDerWaalsContact O-CG2 3.28Å; I549-T553 WeakPolarHBondContact O-CG2 3.28Å; I549-T553 PolarHBondContact O-N 3.19Å; I549-T553 PolarHBondContact O-OG1 3.01Å
550	D	95.8	Very high	94.9	Very high	73 Å²	73	67.1 Å²	67.1	39%	0.39	33%	0.328	S	S	.	.	H	α-helix	trans	-62.1	-43.9	178.3	-73.2	-28.4	0	0	0	111.6	T546 E547 A548 T553 Q554	T546-D550 PolarHBondContact O-N 2.69Å; E547-D550 PolarHBondContact O-N 2.83Å; A548-D550 VanDerWaalsContact C-N 3.34Å; A548-D550 PolarHBondContact O-N 3.14Å; D550-T553 PolarHBondContact O-OG1 2.85Å; D550-Q554 WeakPolarHBondContact O-CB 3.47Å; D550-Q554 WeakPolarHBondContact O-CG 3.32Å; D550-Q554 PolarHBondContact O-N 3.07Å; D550-Q554 PolarHBondContact O-NE2 2.73Å
551	C	96.2	Very high	94.7	Very high	10 Å²	10	65.9 Å²	65.9	7%	0.068	32%	0.324	C	S	.	.	H	α-helix	trans	-60.7	-50.5	176.8	-71.8	0	0	0	0	112.3	W540 L543 E547 A548 I549 Q554 G555 R556	W540-C551 HydrophobicContact CE3-CB 4.43Å; W540-C551 HydrophobicContact CH2-CB 4.14Å; W540-C551 HydrophobicContact CZ3-CB 4.06Å; L543-C551 HydrophobicContact CD1-CB 4.44Å; L543-C551 VanDerWaalsContact CD1-SG 3.58Å; E547-C551 WeakPolarHBondContact O-CB 3.4Å; E547-C551 PolarHBondContact O-N 3.37Å; E547-C551 PolarHBondContact O-SG 3.02Å; A548-C551 PolarHBondContact O-N 3.27Å; I549-C551 PolarHBondContact O-N 2.98Å; C551-Q554 PolarHBondContact O-N 2.66Å; C551-G555 PolarHBondContact O-N 2.92Å; C551-G555 VanDerWaalsContact O-N 3.17Å; C551-R556 HydrophobicContact CB-CB 4.08Å; C551-R556 WeakPolarHBondContact O-CB 3.32Å; C551-R556 PolarHBondContact O-N 2.91Å
552	I	96	Very high	94.4	Very high	1 Å²	1	68.2 Å²	68.2	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-62.7	-46.4	-178.7	-66.2	162.6	0	0	0	110.6	I503 P508 I511 W523 W540 A548 I549 Q554 G555	I503-I552 WeakPolarHBondContact O-CD1 3.17Å; P508-I552 HydrophobicContact CG-CG2 3.91Å; I511-I552 HydrophobicContact CD1-CB 4.17Å; I511-I552 HydrophobicContact CD1-CD1 4.02Å; I511-I552 HydrophobicContact CD1-CG2 3.74Å; W523-I552 HydrophobicContact CH2-CG2 4.44Å; W523-I552 HydrophobicContact CZ2-CG2 3.93Å; W540-I552 HydrophobicContact CZ2-CG1 4.19Å; A548-I552 WeakPolarHBondContact O-CD1 3.33Å; A548-I552 VanDerWaalsContact O-CG1 3.28Å; A548-I552 WeakPolarHBondContact O-CG1 3.47Å; A548-I552 PolarHBondContact O-N 3.31Å; I549-I552 PolarHBondContact O-N 3.04Å; I552-Q554 VanDerWaalsContact C-N 3.35Å; I552-Q554 PolarHBondContact O-N 2.86Å; I552-G555 PolarHBondContact O-N 3.17Å
553	T	94.6	Very high	93.8	Very high	24 Å²	24	63.1 Å²	63.1	15%	0.147	32%	0.315	C	S	.	.	H	α-helix	trans	-70.1	-30	-177.9	57.2	0	0	0	0	113.2	I511 L512 I549 D550 G555 R578	I511-T553 HydrophobicContact CG2-CG2 4.08Å; L512-T553 HydrophobicContact CD1-CG2 4.1Å; L512-T553 HydrophobicContact CD2-CG2 3.75Å; L512-T553 HydrophobicContact CG-CG2 3.83Å; I549-T553 HydrophobicContact CG2-CG2 4.36Å; I549-T553 WeakPolarHBondContact O-CB 3.47Å; I549-T553 VanDerWaalsContact O-CG2 3.28Å; I549-T553 WeakPolarHBondContact O-CG2 3.28Å; I549-T553 PolarHBondContact O-N 3.19Å; I549-T553 PolarHBondContact O-OG1 3.01Å; D550-T553 PolarHBondContact O-OG1 2.85Å; T553-G555 PolarHBondContact O-N 3.44Å; T553-R578 PolarHBondContact O-NH1 3.28Å; T553-R578 PolarHBondContact O-NH2 2.74Å
554	Q	96.3	Very high	93.8	Very high	119 Å²	119	60.8 Å²	60.8	56%	0.556	30%	0.303	S	S	*	.	H	α-helix	trans	-74.9	-9.8	170.1	-68.9	169.5	33.5	0	0	113.4	D550 C551 I552	D550-Q554 WeakPolarHBondContact O-CB 3.47Å; D550-Q554 WeakPolarHBondContact O-CG 3.32Å; D550-Q554 PolarHBondContact O-N 3.07Å; D550-Q554 PolarHBondContact O-NE2 2.73Å; C551-Q554 PolarHBondContact O-N 2.66Å; I552-Q554 VanDerWaalsContact C-N 3.35Å; I552-Q554 PolarHBondContact O-N 2.86Å
555	G	92.8	Very high	93.8	Very high	41 Å²	41	58.2 Å²	58.2	42%	0.423	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	26.1	-179.9	0	0	0	0	0	114.2	C551 I552 T553	C551-G555 PolarHBondContact O-N 2.92Å; C551-G555 VanDerWaalsContact O-N 3.17Å; I552-G555 PolarHBondContact O-N 3.17Å; T553-G555 PolarHBondContact O-N 3.44Å
556	R	95.8	Very high	94	Very high	148 Å²	148	59.9 Å²	59.9	56%	0.558	30%	0.298	S	S	*	.			trans	-77.5	141.1	164.3	-61.2	-176.6	-179.4	-172.5	-1	109.1	W540 C551	W540-R556 HydrophobicContact CH2-CB 4.13Å; W540-R556 WeakPolarHBondContact CH2-O 3.14Å; C551-R556 HydrophobicContact CB-CB 4.08Å; C551-R556 WeakPolarHBondContact O-CB 3.32Å; C551-R556 PolarHBondContact O-N 2.91Å
557	E	95.8	Very high	94.1	Very high	48 Å²	48	60.5 Å²	60.5	22%	0.224	30%	0.295	C	S	.	.			trans	-111.1	162.8	179.2	-62	156.1	136.3	0	0	110.5	W540 R573 W576	W540-E557 VanDerWaalsContact CH2-O 3.28Å; W540-E557 WeakPolarHBondContact CH2-O 3.43Å; E557-R573 VanDerWaalsContact CD-CZ 3.44Å; E557-R573 IonicContact OE1-CZ 2.64Å; E557-R573 VanDerWaalsContact OE1-CZ 3.27Å; E557-R573 IonicContact OE1-NE 2.8Å; E557-R573 PolarHBondContact OE1-NE 3.48Å; E557-R573 IonicContact OE1-NH1 2.66Å; E557-R573 IonicContact OE1-NH2 2.72Å; E557-R573 PolarHBondContact OE1-NH2 3.41Å; E557-R573 IonicContact OE2-CZ 2.71Å; E557-R573 IonicContact OE2-NE 2.76Å; E557-R573 PolarHBondContact OE2-NE 2.95Å; E557-R573 IonicContact OE2-NH1 3.88Å; E557-R573 PolarHBondContact OE2-NH1 3.43Å; E557-R573 IonicContact OE2-NH2 3.18Å; E557-R573 PolarHBondContact OE2-NH2 3.3Å; E557-R573 VanDerWaalsContact OE2-NH2 3.17Å; E557-W576 HydrophobicContact CB-CE3 3.97Å; E557-W576 HydrophobicContact CB-CZ3 4.42Å; E557-W576 HydrophobicContact CG-CB 4.28Å; E557-W576 HydrophobicContact CG-CE3 4.29Å
558	L	97.6	Very high	94.2	Very high	8 Å²	8	56 Å²	56	4%	0.042	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-69	140.2	174.4	-68.9	159.5	0	0	0	110.7	V527 W530 P539 W540 Y569 W576	V527-L558 HydrophobicContact CG1-CD1 4.24Å; V527-L558 HydrophobicContact CG2-CD1 4.35Å; W530-L558 HydrophobicContact CB-CD1 4.24Å; W530-L558 HydrophobicContact CD2-CB 4.43Å; W530-L558 HydrophobicContact CD2-CD1 4.02Å; W530-L558 HydrophobicContact CD2-CD2 4.5Å; W530-L558 HydrophobicContact CE3-CD1 4.44Å; W530-L558 HydrophobicContact CG-CB 4.21Å; W530-L558 HydrophobicContact CG-CD1 3.93Å; W530-L558 HydrophobicContact CZ2-CD2 4.27Å; P539-L558 HydrophobicContact CB-CD1 3.98Å; P539-L558 HydrophobicContact CB-CD2 4.07Å; W540-L558 HydrophobicContact CD2-CD2 3.57Å; W540-L558 HydrophobicContact CD2-CG 4.33Å; W540-L558 HydrophobicContact CE3-CD2 4.09Å; W540-L558 HydrophobicContact CG-CD2 3.81Å; W540-L558 HydrophobicContact CZ2-CD2 4.05Å; W540-L558 HydrophobicContact CZ2-CG 3.9Å; L558-Y569 PolarHBondContact O-OH 3.49Å; L558-Y569 VanDerWaalsContact O-OH 3.07Å; L558-W576 HydrophobicContact CB-CH2 3.73Å; L558-W576 HydrophobicContact CB-CZ2 4.39Å; L558-W576 HydrophobicContact CB-CZ3 4.07Å; L558-W576 HydrophobicContact CD1-CH2 4.02Å; L558-W576 HydrophobicContact CD1-CZ2 3.86Å; L558-W576 HydrophobicContact CG-CH2 4.42Å
559	E	96.3	Very high	94.3	Very high	164 Å²	164	58.1 Å²	58.1	77%	0.766	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-66.1	151.9	178.7	-61.4	-175.6	164.1	0	0	112.7	W530 P561	W530-E559 PolarHBondContact NE1-O 2.92Å; E559-P561 WeakPolarHBondContact O-CD 3.12Å
560	R	96.7	Very high	94.5	Very high	106 Å²	106	59.1 Å²	59.1	40%	0.4	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-62.5	122.5	176.7	-174.7	176.5	69.3	86.7	3.3	110.7	C564 Y569 Y603	R560-C564 HydrophobicContact CG-CB 4.17Å; R560-C564 PolarHBondContact NH1-O 2.6Å; R560-Y569 VanDerWaalsContact CA-CE2 3.47Å; R560-Y569 HydrophobicContact CB-CD1 3.97Å; R560-Y569 HydrophobicContact CB-CD2 3.67Å; R560-Y569 HydrophobicContact CB-CE1 4.02Å; R560-Y569 HydrophobicContact CB-CE2 3.74Å; R560-Y569 HydrophobicContact CB-CG 3.79Å; R560-Y569 HydrophobicContact CG-CD1 4.14Å; R560-Y569 HydrophobicContact CG-CD2 3.82Å; R560-Y569 HydrophobicContact CG-CE2 4.4Å; R560-Y569 HydrophobicContact CG-CG 3.66Å; R560-Y603 PolarHBondContact NH1-OH 3.47Å
561	P	93.3	Very high	94.7	Very high	10 Å²	10	55.9 Å²	55.9	7%	0.065	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-61.3	148.4	174.9	-22.3	32.8	0	0	0	112.5	W530 F533 T534 E559 A563 C564	W530-P561 HydrophobicContact CG-CG 4.28Å; F533-P561 HydrophobicContact CB-CB 4.23Å; F533-P561 HydrophobicContact CB-CG 4.09Å; F533-P561 VanDerWaalsContact O-CB 3.29Å; F533-P561 WeakPolarHBondContact O-CB 3.46Å; T534-P561 HydrophobicContact CG2-CB 3.64Å; T534-P561 HydrophobicContact CG2-CG 3.57Å; E559-P561 WeakPolarHBondContact O-CD 3.12Å; P561-A563 VanDerWaalsContact C-N 3.31Å; P561-A563 PolarHBondContact O-N 2.95Å; P561-C564 HydrophobicContact CB-CB 3.77Å; P561-C564 HydrophobicContact CG-CB 3.94Å; P561-C564 VanDerWaalsContact O-CB 3.28Å; P561-C564 WeakPolarHBondContact O-CB 3.35Å; P561-C564 PolarHBondContact O-N 3.4Å
562	R	86.2	Confident	94.8	Very high	185 Å²	185	55.4 Å²	55.4	70%	0.698	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-42.8	179.8	-67.4	-169.5	-176	-170.4	0.5	113	C564 Y603	R562-C564 VanDerWaalsContact C-N 3.28Å; R562-C564 PolarHBondContact O-N 2.81Å; R562-Y603 WeakPolarHBondContact O-CE1 3.35Å; R562-Y603 VanDerWaalsContact O-CZ 3.29Å; R562-Y603 PolarHBondContact O-OH 3.29Å
563	A	81	Confident	94.9	Very high	42 Å²	42	60.3 Å²	60.3	35%	0.347	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	6.9	178.8	0	0	0	0	0	114.6	P561 P565	P561-A563 VanDerWaalsContact C-N 3.31Å; P561-A563 PolarHBondContact O-N 2.95Å; A563-P565 WeakPolarHBondContact O-CD 2.95Å
564	C	92.6	Very high	95.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.289	C	S	.	.			trans	-99	115.8	-174.1	-176.1	0	0	0	0	112.1	F533 R560 P561 R562 M572	F533-C564 HydrophobicContact CB-CB 4.01Å; F533-C564 HydrophobicContact CD1-CB 3.95Å; F533-C564 HydrophobicContact CG-CB 4.18Å; R560-C564 HydrophobicContact CG-CB 4.17Å; R560-C564 PolarHBondContact NH1-O 2.6Å; P561-C564 HydrophobicContact CB-CB 3.77Å; P561-C564 HydrophobicContact CG-CB 3.94Å; P561-C564 VanDerWaalsContact O-CB 3.28Å; P561-C564 WeakPolarHBondContact O-CB 3.35Å; P561-C564 PolarHBondContact O-N 3.4Å; R562-C564 VanDerWaalsContact C-N 3.28Å; R562-C564 PolarHBondContact O-N 2.81Å; C564-M572 VanDerWaalsContact SG-CE 3.58Å
565	P	94.3	Very high	95.2	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.006	26%	0.263	C	S	.	.			trans	-58.7	147	173.3	-22.2	32.6	0	0	0	112.3	L436 A563 E567 V568 Y569 P601 Y603	L436-P565 HydrophobicContact CD1-CG 3.76Å; L436-P565 HydrophobicContact CD2-CG 3.88Å; A563-P565 WeakPolarHBondContact O-CD 2.95Å; P565-E567 WeakPolarHBondContact CB-OE2 3.28Å; P565-E567 PolarHBondContact O-N 3.28Å; P565-E567 VanDerWaalsContact O-N 3.15Å; P565-V568 HydrophobicContact CB-CG2 4.24Å; P565-V568 HydrophobicContact CG-CG2 4.18Å; P565-V568 PolarHBondContact O-N 3.35Å; P565-V568 VanDerWaalsContact O-N 3.07Å; P565-Y569 PolarHBondContact O-N 3.16Å; P565-Y569 VanDerWaalsContact O-N 3.1Å; P565-P601 HydrophobicContact CB-CG 3.83Å; P565-P601 HydrophobicContact CG-CG 3.97Å; P565-Y603 HydrophobicContact CB-CD2 4.31Å; P565-Y603 HydrophobicContact CB-CG 4.42Å; P565-Y603 HydrophobicContact CG-CG 4.18Å
566	P	95.3	Very high	95.5	Very high	70 Å²	70	52.2 Å²	52.2	46%	0.455	24%	0.244	S	C	.	.	H	α-helix	trans	-53.6	-33.7	178.4	-26.7	35.6	0	0	0	114.1	Y569 A570	P566-Y569 PolarHBondContact O-N 3.19Å; P566-A570 WeakPolarHBondContact O-CB 3.45Å; P566-A570 PolarHBondContact O-N 3.4Å
567	E	95.8	Very high	95.6	Very high	92 Å²	92	48.1 Å²	48.1	43%	0.43	23%	0.231	S	C	.	.	H	α-helix	trans	-64.7	-40.8	178.9	-57.8	76	-168.2	0	0	111.7	P565 A570 I571 L596	P565-E567 WeakPolarHBondContact CB-OE2 3.28Å; P565-E567 PolarHBondContact O-N 3.28Å; P565-E567 VanDerWaalsContact O-N 3.15Å; E567-A570 PolarHBondContact O-N 3.32Å; E567-I571 PolarHBondContact O-N 3.38Å; E567-L596 HydrophobicContact CB-CD1 4.18Å; E567-L596 HydrophobicContact CB-CD2 4Å; E567-L596 HydrophobicContact CG-CD2 4.43Å
568	V	97.1	Very high	95.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-70.9	-40.9	176.5	-177	0	0	0	0	110.1	L440 L529 F533 P565 A570 I571 M572 L596	L440-V568 HydrophobicContact CD2-CG2 3.83Å; L529-V568 HydrophobicContact CD1-CG1 4.17Å; L529-V568 HydrophobicContact CD2-CG1 3.84Å; L529-V568 HydrophobicContact CG-CG1 3.93Å; F533-V568 HydrophobicContact CD2-CG1 3.97Å; F533-V568 HydrophobicContact CE1-CG1 4.4Å; F533-V568 HydrophobicContact CE1-CG2 4.45Å; F533-V568 HydrophobicContact CE2-CG1 3.59Å; F533-V568 HydrophobicContact CZ-CB 4.43Å; F533-V568 HydrophobicContact CZ-CG1 3.82Å; F533-V568 HydrophobicContact CZ-CG2 4.03Å; P565-V568 HydrophobicContact CB-CG2 4.24Å; P565-V568 HydrophobicContact CG-CG2 4.18Å; P565-V568 PolarHBondContact O-N 3.35Å; P565-V568 VanDerWaalsContact O-N 3.07Å; V568-A570 VanDerWaalsContact C-N 3.3Å; V568-A570 PolarHBondContact O-N 3.21Å; V568-I571 WeakPolarHBondContact O-CB 3.44Å; V568-I571 PolarHBondContact O-N 2.98Å; V568-I571 VanDerWaalsContact O-N 3.08Å; V568-M572 HydrophobicContact CG1-CE 4.14Å; V568-M572 PolarHBondContact O-N 3.15Å; V568-M572 VanDerWaalsContact O-N 3.14Å; V568-L596 HydrophobicContact CG2-CD1 4.09Å
569	Y	98.1	Very high	95.6	Very high	45 Å²	45	55.6 Å²	55.6	18%	0.176	26%	0.261	C	S	.	.	H	α-helix	trans	-64.9	-33.5	175.4	-171.3	-114.3	0	0	0	112.5	L558 R560 P565 P566 I571 M572 R573 W576	L558-Y569 PolarHBondContact O-OH 3.49Å; L558-Y569 VanDerWaalsContact O-OH 3.07Å; R560-Y569 VanDerWaalsContact CA-CE2 3.47Å; R560-Y569 HydrophobicContact CB-CD1 3.97Å; R560-Y569 HydrophobicContact CB-CD2 3.67Å; R560-Y569 HydrophobicContact CB-CE1 4.02Å; R560-Y569 HydrophobicContact CB-CE2 3.74Å; R560-Y569 HydrophobicContact CB-CG 3.79Å; R560-Y569 HydrophobicContact CG-CD1 4.14Å; R560-Y569 HydrophobicContact CG-CD2 3.82Å; R560-Y569 HydrophobicContact CG-CE2 4.4Å; R560-Y569 HydrophobicContact CG-CG 3.66Å; P565-Y569 PolarHBondContact O-N 3.16Å; P565-Y569 VanDerWaalsContact O-N 3.1Å; P566-Y569 PolarHBondContact O-N 3.19Å; Y569-I571 VanDerWaalsContact C-N 3.26Å; Y569-I571 PolarHBondContact O-N 2.86Å; Y569-M572 HydrophobicContact CD2-CB 4.41Å; Y569-M572 HydrophobicContact CD2-SD 3.75Å; Y569-M572 HydrophobicContact CE2-SD 4.41Å; Y569-M572 WeakPolarHBondContact O-CB 3.13Å; Y569-M572 PolarHBondContact O-N 3.12Å; Y569-M572 VanDerWaalsContact O-N 3.16Å; Y569-R573 HydrophobicContact CD1-CG 4.09Å; Y569-R573 HydrophobicContact CE1-CG 3.89Å; Y569-R573 VanDerWaalsContact O-CG 3.28Å; Y569-R573 WeakPolarHBondContact O-CG 3.34Å; Y569-R573 PolarHBondContact O-N 2.83Å; Y569-W576 HydrophobicContact CE2-CZ3 4.16Å
570	A	98.3	Very high	95.7	Very high	55 Å²	55	48.6 Å²	48.6	46%	0.455	23%	0.229	S	C	.	.	H	α-helix	trans	-62.7	-32	172.1	0	0	0	0	0	112.5	P566 E567 V568 G574	P566-A570 WeakPolarHBondContact O-CB 3.45Å; P566-A570 PolarHBondContact O-N 3.4Å; E567-A570 PolarHBondContact O-N 3.32Å; V568-A570 VanDerWaalsContact C-N 3.3Å; V568-A570 PolarHBondContact O-N 3.21Å; A570-G574 PolarHBondContact O-N 3.33Å
571	I	98.6	Very high	95.7	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-67	-46.8	170.8	-61.5	170.6	0	0	0	110.3	L529 E567 V568 Y569 R573 G574 C575 V589 R592 L593 L596	L529-I571 HydrophobicContact CD2-CB 4.17Å; L529-I571 HydrophobicContact CD2-CG2 3.93Å; E567-I571 PolarHBondContact O-N 3.38Å; V568-I571 WeakPolarHBondContact O-CB 3.44Å; V568-I571 PolarHBondContact O-N 2.98Å; V568-I571 VanDerWaalsContact O-N 3.08Å; Y569-I571 VanDerWaalsContact C-N 3.26Å; Y569-I571 PolarHBondContact O-N 2.86Å; I571-R573 VanDerWaalsContact C-N 3.34Å; I571-R573 PolarHBondContact O-N 3.42Å; I571-G574 WeakPolarHBondContact O-CA 3.48Å; I571-G574 PolarHBondContact O-N 3.42Å; I571-C575 PolarHBondContact O-N 3.22Å; I571-C575 PolarHBondContact O-SG 2.92Å; I571-V589 HydrophobicContact CG2-CG1 3.8Å; I571-V589 HydrophobicContact CG2-CG2 4.34Å; I571-R592 HydrophobicContact CD1-CB 3.83Å; I571-R592 HydrophobicContact CG1-CB 4.38Å; I571-L593 HydrophobicContact CD1-CD2 3.84Å; I571-L593 HydrophobicContact CD1-CG 4.07Å; I571-L596 HydrophobicContact CD1-CD1 3.82Å
572	M	98.6	Very high	96	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-55.5	-47.7	175.7	-58.2	178	-171.4	0	0	111.8	L529 W530 F533 C564 V568 Y569 G574 C575 W576	L529-M572 HydrophobicContact CB-CE 4.17Å; L529-M572 HydrophobicContact CB-CG 4.19Å; L529-M572 HydrophobicContact CD2-CE 4.37Å; L529-M572 HydrophobicContact CD2-CG 3.81Å; L529-M572 HydrophobicContact CG-CE 3.85Å; L529-M572 HydrophobicContact CG-CG 4.15Å; L529-M572 WeakPolarHBondContact O-CE 3.44Å; W530-M572 HydrophobicContact CB-CE 4.37Å; W530-M572 HydrophobicContact CB-SD 4.11Å; F533-M572 HydrophobicContact CB-CE 4.33Å; F533-M572 HydrophobicContact CD2-CE 4.39Å; C564-M572 VanDerWaalsContact SG-CE 3.58Å; V568-M572 HydrophobicContact CG1-CE 4.14Å; V568-M572 PolarHBondContact O-N 3.15Å; V568-M572 VanDerWaalsContact O-N 3.14Å; Y569-M572 HydrophobicContact CD2-CB 4.41Å; Y569-M572 HydrophobicContact CD2-SD 3.75Å; Y569-M572 HydrophobicContact CE2-SD 4.41Å; Y569-M572 WeakPolarHBondContact O-CB 3.13Å; Y569-M572 PolarHBondContact O-N 3.12Å; Y569-M572 VanDerWaalsContact O-N 3.16Å; M572-G574 VanDerWaalsContact C-N 3.26Å; M572-G574 PolarHBondContact O-N 2.92Å; M572-C575 WeakPolarHBondContact O-CA 3.5Å; M572-C575 WeakPolarHBondContact O-CB 3.41Å; M572-C575 PolarHBondContact O-N 3.45Å; M572-W576 HydrophobicContact CB-CD2 4.4Å; M572-W576 HydrophobicContact CB-CE3 4.06Å; M572-W576 HydrophobicContact CB-CH2 3.67Å; M572-W576 HydrophobicContact CB-CZ2 4.03Å; M572-W576 HydrophobicContact CB-CZ3 3.7Å; M572-W576 HydrophobicContact CG-CH2 4.18Å; M572-W576 HydrophobicContact CG-CZ2 4.5Å; M572-W576 PolarHBondContact O-N 3.14Å; M572-W576 HydrophobicContact SD-CH2 3.87Å; M572-W576 HydrophobicContact SD-CZ3 4.45Å
573	R	98.5	Very high	96.6	Very high	105 Å²	105	48.3 Å²	48.3	40%	0.396	24%	0.239	S	C	.	.	H	α-helix	trans	-58.9	-33.4	174.6	-70.6	-71.2	-56.1	-147.6	17.3	113.2	E557 Y569 I571 Q577	E557-R573 VanDerWaalsContact CD-CZ 3.44Å; E557-R573 IonicContact OE1-CZ 2.64Å; E557-R573 VanDerWaalsContact OE1-CZ 3.27Å; E557-R573 IonicContact OE1-NE 2.8Å; E557-R573 PolarHBondContact OE1-NE 3.48Å; E557-R573 IonicContact OE1-NH1 2.66Å; E557-R573 IonicContact OE1-NH2 2.72Å; E557-R573 PolarHBondContact OE1-NH2 3.41Å; E557-R573 IonicContact OE2-CZ 2.71Å; E557-R573 IonicContact OE2-NE 2.76Å; E557-R573 PolarHBondContact OE2-NE 2.95Å; E557-R573 IonicContact OE2-NH1 3.88Å; E557-R573 PolarHBondContact OE2-NH1 3.43Å; E557-R573 IonicContact OE2-NH2 3.18Å; E557-R573 PolarHBondContact OE2-NH2 3.3Å; E557-R573 VanDerWaalsContact OE2-NH2 3.17Å; Y569-R573 HydrophobicContact CD1-CG 4.09Å; Y569-R573 HydrophobicContact CE1-CG 3.89Å; Y569-R573 VanDerWaalsContact O-CG 3.28Å; Y569-R573 WeakPolarHBondContact O-CG 3.34Å; Y569-R573 PolarHBondContact O-N 2.83Å; I571-R573 VanDerWaalsContact C-N 3.34Å; I571-R573 PolarHBondContact O-N 3.42Å; R573-Q577 PolarHBondContact O-NE2 3.41Å
574	G	98.5	Very high	97.3	Very high	5 Å²	5	49 Å²	49	5%	0.052	24%	0.235	C	C	.	.	H	α-helix	trans	-72.2	-29.5	173.1	0	0	0	0	0	113.5	A570 I571 M572 R583 H584	A570-G574 PolarHBondContact O-N 3.33Å; I571-G574 WeakPolarHBondContact O-CA 3.48Å; I571-G574 PolarHBondContact O-N 3.42Å; M572-G574 VanDerWaalsContact C-N 3.26Å; M572-G574 PolarHBondContact O-N 2.92Å; G574-R583 WeakPolarHBondContact O-CA 3.45Å; G574-H584 PolarHBondContact O-N 2.98Å
575	C	98.7	Very high	97.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-76.2	-31.8	172.5	-64.9	0	0	0	0	112.9	V522 I571 M572 Q577 R583	V522-C575 HydrophobicContact CG1-CB 4.04Å; V522-C575 WeakPolarHBondContact O-CB 3.33Å; I571-C575 PolarHBondContact O-N 3.22Å; I571-C575 PolarHBondContact O-SG 2.92Å; M572-C575 WeakPolarHBondContact O-CA 3.5Å; M572-C575 WeakPolarHBondContact O-CB 3.41Å; M572-C575 PolarHBondContact O-N 3.45Å; C575-Q577 VanDerWaalsContact C-N 3.34Å; C575-Q577 PolarHBondContact O-N 2.86Å; C575-R583 VanDerWaalsContact O-CD 3.27Å; C575-R583 WeakPolarHBondContact O-CD 3.43Å; C575-R583 WeakPolarHBondContact O-CG 3.49Å
576	W	98.6	Very high	97.7	Very high	8 Å²	8	52.1 Å²	52.1	3%	0.03	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	20.4	-176	-56.7	-33.9	0	0	0	115	W523 G526 V527 W530 E557 L558 Y569 M572 R578	W523-W576 AromaticContact CD2-CD1 3.71Å; W523-W576 HydrophobicContact CD2-CG 4.49Å; W523-W576 AromaticContact CE2-CD1 3.83Å; W523-W576 HydrophobicContact CE3-CB 4.17Å; W523-W576 AromaticContact CG-CD1 3.98Å; W523-W576 HydrophobicContact CH2-CB 4.16Å; W523-W576 HydrophobicContact CZ3-CB 3.95Å; W523-W576 VanDerWaalsContact CZ3-O 3.25Å; W523-W576 WeakPolarHBondContact CZ3-O 3.46Å; W523-W576 PolarHBondContact O-NE1 3.35Å; G526-W576 VanDerWaalsContact O-CZ2 3.25Å; G526-W576 WeakPolarHBondContact O-CZ2 3.42Å; V527-W576 HydrophobicContact CG2-CZ2 4.35Å; W530-W576 HydrophobicContact CB-CH2 4.15Å; W530-W576 HydrophobicContact CB-CZ2 4.18Å; W530-W576 HydrophobicContact CG-CH2 4.39Å; E557-W576 HydrophobicContact CB-CE3 3.97Å; E557-W576 HydrophobicContact CB-CZ3 4.42Å; E557-W576 HydrophobicContact CG-CB 4.28Å; E557-W576 HydrophobicContact CG-CE3 4.29Å; L558-W576 HydrophobicContact CB-CH2 3.73Å; L558-W576 HydrophobicContact CB-CZ2 4.39Å; L558-W576 HydrophobicContact CB-CZ3 4.07Å; L558-W576 HydrophobicContact CD1-CH2 4.02Å; L558-W576 HydrophobicContact CD1-CZ2 3.86Å; L558-W576 HydrophobicContact CG-CH2 4.42Å; Y569-W576 HydrophobicContact CE2-CZ3 4.16Å; M572-W576 HydrophobicContact CB-CD2 4.4Å; M572-W576 HydrophobicContact CB-CE3 4.06Å; M572-W576 HydrophobicContact CB-CH2 3.67Å; M572-W576 HydrophobicContact CB-CZ2 4.03Å; M572-W576 HydrophobicContact CB-CZ3 3.7Å; M572-W576 HydrophobicContact CG-CH2 4.18Å; M572-W576 HydrophobicContact CG-CZ2 4.5Å; M572-W576 PolarHBondContact O-N 3.14Å; M572-W576 HydrophobicContact SD-CH2 3.87Å; M572-W576 HydrophobicContact SD-CZ3 4.45Å; W576-R578 PolarHBondContact O-N 2.93Å
577	Q	98.4	Very high	97.9	Very high	62 Å²	62	55.1 Å²	55.1	29%	0.29	26%	0.261	S	S	.	.			trans	-60.2	134.1	170	-64.1	-57.8	-52.6	0	0	110.5	R573 C575 E579 Q582 R583	R573-Q577 PolarHBondContact O-NE2 3.41Å; C575-Q577 VanDerWaalsContact C-N 3.34Å; C575-Q577 PolarHBondContact O-N 2.86Å; Q577-E579 PolarHBondContact O-N 3.06Å; Q577-Q582 HydrophobicContact CB-CB 3.99Å; Q577-Q582 HydrophobicContact CG-CB 4.32Å; Q577-R583 HydrophobicContact CB-CG 3.91Å; Q577-R583 PolarHBondContact O-NE 2.84Å; Q577-R583 PolarHBondContact O-NH2 3.04Å
578	R	96.1	Very high	98	Very high	119 Å²	119	54.6 Å²	54.6	45%	0.449	26%	0.261	S	S	.	.	S	Bend	trans	-59.3	-51.7	-175.4	-172.3	-180	-172.3	97.5	8.7	111	T553 W576 R583	T553-R578 PolarHBondContact O-NH1 3.28Å; T553-R578 PolarHBondContact O-NH2 2.74Å; W576-R578 PolarHBondContact O-N 2.93Å; R578-R583 PolarHBondContact O-NH2 3.34Å; R578-R583 VanDerWaalsContact O-NH2 3.14Å
579	E	97.7	Very high	98.1	Very high	94 Å²	94	54.6 Å²	54.6	44%	0.439	26%	0.261	S	S	.	.	S	Bend	trans	-76.7	122.2	176.8	-58.5	-49.2	130	0	0	110.2	Q577 Q581 Q582	Q577-E579 PolarHBondContact O-N 3.06Å; E579-Q581 PolarHBondContact O-N 3.44Å; E579-Q581 VanDerWaalsContact O-N 3.13Å; E579-Q582 HydrophobicContact CB-CB 4.43Å; E579-Q582 HydrophobicContact CB-CG 4.04Å; E579-Q582 PolarHBondContact O-N 2.99Å
580	P	97.9	Very high	98.1	Very high	17 Å²	17	54.3 Å²	54.3	11%	0.11	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-56.1	-34.5	-175.4	-26.7	34.4	0	0	0	114	E509 E519 Q582 R583	E509-P580 HydrophobicContact CG-CG 4.12Å; E519-P580 HydrophobicContact CB-CB 3.76Å; E519-P580 HydrophobicContact CG-CB 4.28Å; P580-Q582 PolarHBondContact O-N 3.45Å; P580-R583 WeakPolarHBondContact O-CB 3.33Å; P580-R583 PolarHBondContact O-N 3.42Å
581	Q	97	Very high	98.1	Very high	155 Å²	155	54.3 Å²	54.3	72%	0.724	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-73.4	-11.5	-179.1	-61.1	72.8	26	0	0	113.6	E579	E579-Q581 PolarHBondContact O-N 3.44Å; E579-Q581 VanDerWaalsContact O-N 3.13Å
582	Q	98.1	Very high	98	Very high	123 Å²	123	59.3 Å²	59.3	58%	0.575	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-94.2	-10.3	174.9	-64.2	-180	5.7	0	0	112.6	Q577 E579 P580	Q577-Q582 HydrophobicContact CB-CB 3.99Å; Q577-Q582 HydrophobicContact CG-CB 4.32Å; E579-Q582 HydrophobicContact CB-CB 4.43Å; E579-Q582 HydrophobicContact CB-CG 4.04Å; E579-Q582 PolarHBondContact O-N 2.99Å; P580-Q582 PolarHBondContact O-N 3.45Å
583	R	98.6	Very high	98	Very high	18 Å²	18	59.3 Å²	59.3	7%	0.068	28%	0.28	C	S	.	.	S	Bend	trans	-67.4	144	175.7	-59.8	175.8	-169.7	152.5	12.2	109.5	E509 E519 V522 G574 C575 Q577 R578 P580	E509-R583 IonicContact OE1-CZ 2.71Å; E509-R583 IonicContact OE1-NH1 3.87Å; E509-R583 PolarHBondContact OE1-NH1 3.08Å; E509-R583 IonicContact OE1-NH2 2.63Å; E509-R583 PolarHBondContact OE1-NH2 3.48Å; E509-R583 IonicContact OE2-CZ 2.69Å; E509-R583 IonicContact OE2-NH1 2.6Å; E509-R583 IonicContact OE2-NH2 3.48Å; E509-R583 PolarHBondContact OE2-NH2 3.29Å; E519-R583 WeakPolarHBondContact O-CD 3.44Å; E519-R583 PolarHBondContact O-NH1 3.01Å; V522-R583 HydrophobicContact CG1-CB 4.06Å; G574-R583 WeakPolarHBondContact O-CA 3.45Å; C575-R583 VanDerWaalsContact O-CD 3.27Å; C575-R583 WeakPolarHBondContact O-CD 3.43Å; C575-R583 WeakPolarHBondContact O-CG 3.49Å; Q577-R583 HydrophobicContact CB-CG 3.91Å; Q577-R583 PolarHBondContact O-NE 2.84Å; Q577-R583 PolarHBondContact O-NH2 3.04Å; R578-R583 PolarHBondContact O-NH2 3.34Å; R578-R583 VanDerWaalsContact O-NH2 3.14Å; P580-R583 WeakPolarHBondContact O-CB 3.33Å; P580-R583 PolarHBondContact O-N 3.42Å
584	H	96.4	Very high	97.8	Very high	56 Å²	56	58.5 Å²	58.5	26%	0.259	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-62.6	144	173.2	-66.6	-26.8	0	0	0	110.7	V522 G574 V589 R592	V522-H584 WeakPolarHBondContact CG1-O 3.48Å; G574-H584 PolarHBondContact O-N 2.98Å; H584-V589 HydrophobicContact CB-CG2 3.81Å; H584-R592 PolarHBondContact CD2-NH1 3.35Å; H584-R592 PolarHBondContact NE2-NH1 3.04Å; H584-R592 PolarHBondContact NE2-NH2 3.48Å
585	S	97.8	Very high	97.6	Very high	51 Å²	51	60.9 Å²	60.9	36%	0.357	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-66.1	149.6	175.4	82.8	0	0	0	0	109.8	K587 D588 V589	S585-K587 PolarHBondContact O-N 3.45Å; S585-K587 VanDerWaalsContact O-N 3.09Å; S585-D588 VanDerWaalsContact CB-OD2 3.3Å; S585-D588 WeakPolarHBondContact CB-OD2 3.35Å; S585-D588 PolarHBondContact N-OD2 2.94Å; S585-D588 PolarHBondContact O-N 2.92Å; S585-D588 PolarHBondContact OG-N 3.34Å; S585-D588 PolarHBondContact OG-OD2 3.37Å; S585-V589 WeakPolarHBondContact O-CG2 3.42Å; S585-V589 PolarHBondContact O-N 3.32Å
586	I	98.4	Very high	97.5	Very high	16 Å²	16	62.2 Å²	62.2	8%	0.082	31%	0.307	C	S	.	.	H	α-helix	trans	-59.5	-25.3	178.2	-168.1	63.7	0	0	0	112.4	M450 V451 A454 V522 F525 V589 H590	M450-I586 HydrophobicContact CB-CD1 3.93Å; M450-I586 HydrophobicContact CB-CG1 3.63Å; V451-I586 HydrophobicContact CG2-CB 4.5Å; V451-I586 HydrophobicContact CG2-CG1 4.13Å; V451-I586 HydrophobicContact CG2-CG2 4.02Å; A454-I586 HydrophobicContact CB-CG2 3.93Å; V522-I586 HydrophobicContact CG2-CB 4Å; F525-I586 HydrophobicContact CB-CD1 4.35Å; F525-I586 HydrophobicContact CD1-CD1 4.24Å; F525-I586 HydrophobicContact CD2-CD1 4.31Å; F525-I586 HydrophobicContact CG-CD1 3.99Å; I586-V589 HydrophobicContact CD1-CB 4.47Å; I586-V589 HydrophobicContact CD1-CG1 4.41Å; I586-H590 VanDerWaalsContact O-CB 3.3Å; I586-H590 WeakPolarHBondContact O-CB 3.37Å; I586-H590 PolarHBondContact O-N 3.48Å
587	K	98.3	Very high	97.1	Very high	133 Å²	133	63.3 Å²	63.3	58%	0.578	32%	0.318	S	S	*	.	H	α-helix	trans	-67.7	-44.2	173	-67.8	179.1	179	178.2	0	111.9	V451 S585 H590 A591	V451-K587 HydrophobicContact CG1-CG 3.95Å; V451-K587 HydrophobicContact CG2-CG 4.04Å; S585-K587 PolarHBondContact O-N 3.45Å; S585-K587 VanDerWaalsContact O-N 3.09Å; K587-H590 PolarHBondContact O-N 3.06Å; K587-A591 WeakPolarHBondContact O-CB 3.35Å; K587-A591 PolarHBondContact O-N 2.97Å
588	D	98.1	Very high	96.5	Very high	80 Å²	80	67.5 Å²	67.5	43%	0.428	34%	0.337	S	S	.	.	H	α-helix	trans	-67.3	-39.8	176.6	-55.1	-51	0	0	0	111.3	S585 A591 R592	S585-D588 VanDerWaalsContact CB-OD2 3.3Å; S585-D588 WeakPolarHBondContact CB-OD2 3.35Å; S585-D588 PolarHBondContact N-OD2 2.94Å; S585-D588 PolarHBondContact O-N 2.92Å; S585-D588 PolarHBondContact OG-N 3.34Å; S585-D588 PolarHBondContact OG-OD2 3.37Å; D588-A591 PolarHBondContact O-N 3.09Å; D588-R592 VanDerWaalsContact O-CG 3.31Å; D588-R592 WeakPolarHBondContact O-CG 3.43Å; D588-R592 PolarHBondContact O-N 3.12Å
589	V	98.6	Very high	96.1	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-61.1	-49.2	175	170.6	0	0	0	0	110.7	F525 I571 H584 S585 I586 R592 L593	F525-V589 HydrophobicContact CD1-CG1 3.71Å; F525-V589 HydrophobicContact CE1-CG1 3.35Å; F525-V589 HydrophobicContact CZ-CG1 4.26Å; I571-V589 HydrophobicContact CG2-CG1 3.8Å; I571-V589 HydrophobicContact CG2-CG2 4.34Å; H584-V589 HydrophobicContact CB-CG2 3.81Å; S585-V589 WeakPolarHBondContact O-CG2 3.42Å; S585-V589 PolarHBondContact O-N 3.32Å; I586-V589 HydrophobicContact CD1-CB 4.47Å; I586-V589 HydrophobicContact CD1-CG1 4.41Å; V589-R592 PolarHBondContact O-N 2.95Å; V589-L593 HydrophobicContact CG1-CD1 4.06Å; V589-L593 WeakPolarHBondContact O-CG 3.49Å; V589-L593 PolarHBondContact O-N 3.37Å
590	H	98.6	Very high	95.5	Very high	40 Å²	40	63.6 Å²	63.6	19%	0.185	34%	0.342	C	S	.	.	H	α-helix	trans	-58.5	-48.8	175.6	176.9	-121.4	0	0	0	111.8	S444 A447 V451 I586 K587 R592 L593 Q594	S444-H590 PolarHBondContact O-CD2 2.96Å; S444-H590 VanDerWaalsContact O-CD2 3.27Å; S444-H590 PolarHBondContact OG-CD2 2.9Å; S444-H590 PolarHBondContact OG-NE2 3.38Å; A447-H590 HydrophobicContact CB-CB 3.85Å; V451-H590 HydrophobicContact CG2-CB 3.94Å; I586-H590 VanDerWaalsContact O-CB 3.3Å; I586-H590 WeakPolarHBondContact O-CB 3.37Å; I586-H590 PolarHBondContact O-N 3.48Å; K587-H590 PolarHBondContact O-N 3.06Å; H590-R592 VanDerWaalsContact C-N 3.33Å; H590-R592 PolarHBondContact O-N 3.36Å; H590-L593 PolarHBondContact O-N 3.05Å; H590-Q594 WeakPolarHBondContact O-CB 3.5Å; H590-Q594 PolarHBondContact O-N 3.49Å
591	A	98	Very high	94.7	Very high	54 Å²	54	64 Å²	64	45%	0.446	35%	0.345	S	S	.	.	H	α-helix	trans	-60.4	-39.5	-179.9	0	0	0	0	0	112.8	K587 D588 A595	K587-A591 WeakPolarHBondContact O-CB 3.35Å; K587-A591 PolarHBondContact O-N 2.97Å; D588-A591 PolarHBondContact O-N 3.09Å; A591-A595 PolarHBondContact O-N 3.49Å
592	R	97.8	Very high	93.9	Very high	109 Å²	109	63.6 Å²	63.6	41%	0.411	35%	0.352	S	S	.	.	H	α-helix	trans	-67.5	-42.3	175.2	-71.2	177.7	-171.7	-179	10.4	112.5	I571 H584 D588 V589 H590 Q594 A595 L596	I571-R592 HydrophobicContact CD1-CB 3.83Å; I571-R592 HydrophobicContact CG1-CB 4.38Å; H584-R592 PolarHBondContact CD2-NH1 3.35Å; H584-R592 PolarHBondContact NE2-NH1 3.04Å; H584-R592 PolarHBondContact NE2-NH2 3.48Å; D588-R592 VanDerWaalsContact O-CG 3.31Å; D588-R592 WeakPolarHBondContact O-CG 3.43Å; D588-R592 PolarHBondContact O-N 3.12Å; V589-R592 PolarHBondContact O-N 2.95Å; H590-R592 VanDerWaalsContact C-N 3.33Å; H590-R592 PolarHBondContact O-N 3.36Å; R592-Q594 VanDerWaalsContact C-N 3.34Å; R592-A595 PolarHBondContact O-N 3.42Å; R592-L596 WeakPolarHBondContact O-CG 3.33Å; R592-L596 PolarHBondContact O-N 2.98Å
593	L	97.3	Very high	92.8	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-64.1	-40	175.7	-72.8	170	0	0	0	111.8	L440 A443 A447 F525 L529 I571 V589 H590 L596 A597	L440-L593 HydrophobicContact CD2-CD2 4.21Å; A443-L593 HydrophobicContact CB-CD1 4.12Å; A443-L593 HydrophobicContact CB-CD2 4.24Å; A447-L593 HydrophobicContact CB-CD1 4.1Å; F525-L593 HydrophobicContact CE1-CD1 3.76Å; F525-L593 HydrophobicContact CZ-CD1 3.51Å; L529-L593 HydrophobicContact CD1-CD2 4.04Å; L529-L593 HydrophobicContact CD2-CD2 4.37Å; I571-L593 HydrophobicContact CD1-CD2 3.84Å; I571-L593 HydrophobicContact CD1-CG 4.07Å; V589-L593 HydrophobicContact CG1-CD1 4.06Å; V589-L593 WeakPolarHBondContact O-CG 3.49Å; V589-L593 PolarHBondContact O-N 3.37Å; H590-L593 PolarHBondContact O-N 3.05Å; L593-L596 PolarHBondContact O-N 3.09Å; L593-A597 WeakPolarHBondContact O-CB 3.5Å; L593-A597 PolarHBondContact O-N 3.47Å
594	Q	94.9	Very high	91.2	Very high	88 Å²	88	66.3 Å²	66.3	41%	0.411	37%	0.367	S	S	.	.	H	α-helix	trans	-64.6	-40.4	176.6	-169	176.7	5.8	0	0	111.8	H590 R592 A597 Q598	H590-Q594 WeakPolarHBondContact O-CB 3.5Å; H590-Q594 PolarHBondContact O-N 3.49Å; R592-Q594 VanDerWaalsContact C-N 3.34Å; Q594-A597 PolarHBondContact O-N 3.46Å; Q594-Q598 WeakPolarHBondContact O-CG 3.4Å; Q594-Q598 PolarHBondContact O-N 3Å
595	A	95.3	Very high	89.3	Confident	55 Å²	55	67.9 Å²	67.9	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-63.1	-44.1	173.6	0	0	0	0	0	112.2	A591 R592 A597 Q598 A599	A591-A595 PolarHBondContact O-N 3.49Å; R592-A595 PolarHBondContact O-N 3.42Å; A595-A597 VanDerWaalsContact C-N 3.34Å; A595-A597 PolarHBondContact O-N 3.44Å; A595-Q598 PolarHBondContact O-N 3.46Å; A595-A599 PolarHBondContact O-N 3.25Å; A595-A599 VanDerWaalsContact O-N 3.12Å
596	L	94.7	Very high	86.8	Confident	28 Å²	28	71.4 Å²	71.4	15%	0.147	40%	0.397	C	S	.	.	H	α-helix	trans	-65.6	-34.6	174.3	-68.8	172.2	0	0	0	112.3	L440 E567 V568 I571 R592 L593 A599 P600 P601	L440-L596 HydrophobicContact CD1-CB 4.12Å; L440-L596 WeakPolarHBondContact CD1-O 3.44Å; L440-L596 HydrophobicContact CD2-CB 4Å; L440-L596 HydrophobicContact CD2-CD1 4.49Å; E567-L596 HydrophobicContact CB-CD1 4.18Å; E567-L596 HydrophobicContact CB-CD2 4Å; E567-L596 HydrophobicContact CG-CD2 4.43Å; V568-L596 HydrophobicContact CG2-CD1 4.09Å; I571-L596 HydrophobicContact CD1-CD1 3.82Å; R592-L596 WeakPolarHBondContact O-CG 3.33Å; R592-L596 PolarHBondContact O-N 2.98Å; L593-L596 PolarHBondContact O-N 3.09Å; L596-A599 CarbonylContact O-C 3.57Å; L596-A599 PolarHBondContact O-N 2.98Å; L596-P600 WeakPolarHBondContact O-CA 3.45Å; L596-P601 HydrophobicContact CD2-CG 4.39Å
597	A	90.3	Very high	84	Confident	32 Å²	32	77.3 Å²	77.3	26%	0.264	43%	0.427	S	S	.	.	H	α-helix	trans	-68.9	-33.2	177	0	0	0	0	0	112.5	L440 L593 Q594 A595	L440-A597 HydrophobicContact CB-CB 4.04Å; L593-A597 WeakPolarHBondContact O-CB 3.5Å; L593-A597 PolarHBondContact O-N 3.47Å; Q594-A597 PolarHBondContact O-N 3.46Å; A595-A597 VanDerWaalsContact C-N 3.34Å; A595-A597 PolarHBondContact O-N 3.44Å
598	Q	87.4	Confident	81.1	Confident	149 Å²	149	78 Å²	78	70%	0.696	47%	0.472	S	S	*	.	H	α-helix	trans	-73.5	-34.4	175.3	-72.3	172	5.4	0	0	112.8	Q594 A595	Q594-Q598 WeakPolarHBondContact O-CG 3.4Å; Q594-Q598 PolarHBondContact O-N 3Å; A595-Q598 PolarHBondContact O-N 3.46Å
599	A	86.9	Confident	80.2	Confident	72 Å²	72	77.9 Å²	77.9	60%	0.595	47%	0.474	S	S	*	.	S	Bend	trans	-132.8	78.8	176	0	0	0	0	0	110.8	A595 L596	A595-A599 PolarHBondContact O-N 3.25Å; A595-A599 VanDerWaalsContact O-N 3.12Å; L596-A599 CarbonylContact O-C 3.57Å; L596-A599 PolarHBondContact O-N 2.98Å
600	P	85.1	Confident	79.3	Confident	59 Å²	59	81.9 Å²	81.9	38%	0.383	50%	0.499	S	S	.	.			trans	-59.5	129.6	-178.2	-26.1	36.1	0	0	0	111.7	L436 L440 L596	L436-P600 HydrophobicContact CD2-CB 4.22Å; L436-P600 HydrophobicContact CG-CB 4.37Å; L440-P600 HydrophobicContact CD1-CB 4.27Å; L596-P600 WeakPolarHBondContact O-CA 3.45Å
601	P	80.7	Confident	78.2	Confident	27 Å²	27	84.3 Å²	84.3	18%	0.175	52%	0.517	C	S	.	.			trans	-65.9	142	179.7	26.7	-33.7	0	0	0	110.6	L436 P565 L596 Y603	L436-P601 HydrophobicContact CD2-CG 4.18Å; L436-P601 VanDerWaalsContact CD2-O 3.22Å; L436-P601 WeakPolarHBondContact CD2-O 3.4Å; P565-P601 HydrophobicContact CB-CG 3.83Å; P565-P601 HydrophobicContact CG-CG 3.97Å; L596-P601 HydrophobicContact CD2-CG 4.39Å; P601-Y603 PolarHBondContact O-N 3Å
602	V	80.6	Confident	77	Confident	145 Å²	145	86.1 Å²	86.1	88%	0.879	52%	0.521	S	S	*	.			trans	-69.9	106.3	173.5	-179.3	0	0	0	0	108.3
603	Y	75.3	Confident	75.7	Confident	64 Å²	64	84.6 Å²	84.6	25%	0.251	53%	0.528	S	S	.	.			trans	-121.4	119.6	177.1	-174.6	-96.3	0	0	0	109.9	R560 R562 P565 P601	R560-Y603 PolarHBondContact NH1-OH 3.47Å; R562-Y603 WeakPolarHBondContact O-CE1 3.35Å; R562-Y603 VanDerWaalsContact O-CZ 3.29Å; R562-Y603 PolarHBondContact O-OH 3.29Å; P565-Y603 HydrophobicContact CB-CD2 4.31Å; P565-Y603 HydrophobicContact CB-CG 4.42Å; P565-Y603 HydrophobicContact CG-CG 4.18Å; P601-Y603 PolarHBondContact O-N 3Å
604	L	64.7	Low	74.3	Confident	134 Å²	134	90.3 Å²	90.3	70%	0.702	56%	0.563	S	S	*	*			trans	-110.3	132.8	171.5	-67.6	170.5	0	0	0	107.7	V606	L604-V606 HydrophobicContact CB-CG2 4.3Å; L604-V606 WeakPolarHBondContact O-CG2 3.4Å; L604-V606 PolarHBondContact O-N 3.11Å; L604-V606 VanDerWaalsContact O-N 3.16Å
605	D	57.7	Low	72.8	Confident	89 Å²	89	90.4 Å²	90.4	48%	0.476	57%	0.574	S	S	.	*			trans	-77.8	97.4	168.1	-160.1	-2.3	0	0	0	107.7	L607	D605-L607 PolarHBondContact O-N 2.71Å
606	V	44.2	Very low	71.1	Confident	126 Å²	126	93.2 Å²	93.2	76%	0.764	58%	0.583	S	S	*	*			trans	-75.7	-0.9	-169.2	-173.9	0	0	0	0	112.4	L604	L604-V606 HydrophobicContact CB-CG2 4.3Å; L604-V606 WeakPolarHBondContact O-CG2 3.4Å; L604-V606 PolarHBondContact O-N 3.11Å; L604-V606 VanDerWaalsContact O-N 3.16Å
607	L	40.4	Very low	69.1	Low	139 Å²	139	98.6 Å²	98.6	73%	0.728	62%	0.619	S	S	*	*			trans	-134	85.2	-176	-65.2	173.1	0	0	0	111.6	D605	D605-L607 PolarHBondContact O-N 2.71Å
608	G	36.1	Very low	67.2	Low	147 Å²	147	104.6 Å²	104.6	100%	1.515	65%	0.651	S	S	*	*			trans	-79.2	0	161.1	0	0	0	0	0	112.1

Retrieved 608 of 608 residues in 846.9 ms (Link to these results)

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