X2JGP4_DROME Loading...

Protein disulfide-isomerase

AlphaFold DB (P54399), UniProt , Accession X2JGP4, Species DROME (Drosophila melanogaster, Fruit fly), Gene Pdi, Length 496 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	39.5	Very low	44.9	Very low	235 Å²	235	157.8 Å²	157.8	100%	1.158	83%	0.833	S	S	*	*				0	102.3	0	-156.7	177	-172.3	0	0	107.8
2	K	41.1	Very low	45.1	Very low	207 Å²	207	151.5 Å²	151.5	90%	0.9	82%	0.82	S	S	*	*			trans	-178.8	95.8	158.4	-102	169.7	-172.7	-171.7	0	106.7
3	F	41.7	Very low	45.1	Very low	189 Å²	189	147.8 Å²	147.8	83%	0.829	81%	0.813	S	S	*	*			trans	-66.3	128.3	169.8	-79.1	-99.6	0	0	0	108.3
4	L	52.1	Low	45	Very low	163 Å²	163	153.2 Å²	153.2	85%	0.853	82%	0.817	S	S	*	*			trans	-114.2	100.3	162.6	-137.1	82.7	0	0	0	106.5	C6	L4-C6 PolarHBondContact O-N 2.88Å
5	I	44.7	Very low	44.9	Very low	148 Å²	148	151.5 Å²	151.5	76%	0.759	81%	0.814	S	S	*	*			trans	-78.5	103	175.4	-68.6	161.3	0	0	0	106.3	A7	I5-A7 PolarHBondContact O-N 2.87Å
6	C	47.9	Very low	44.8	Very low	108 Å²	108	147.6 Å²	147.6	73%	0.73	81%	0.81	S	S	*	*			trans	-76.6	102	166.4	-78.5	0	0	0	0	108.4	L4 L8	L4-C6 PolarHBondContact O-N 2.88Å; C6-L8 PolarHBondContact O-N 3.35Å
7	A	45	Very low	44.8	Very low	76 Å²	76	144.1 Å²	144.1	63%	0.628	81%	0.805	S	S	*	*			trans	-70.3	104.6	167.6	0	0	0	0	0	108.9	I5 F9	I5-A7 PolarHBondContact O-N 2.87Å; A7-F9 PolarHBondContact O-N 3.18Å
8	L	46.7	Very low	45.1	Very low	157 Å²	157	141.4 Å²	141.4	82%	0.822	80%	0.797	S	S	*	*			trans	-71.7	106.8	165.7	-95.3	110.5	0	0	0	108.6	C6 L10	C6-L8 PolarHBondContact O-N 3.35Å; L8-L10 PolarHBondContact O-N 3.25Å
9	F	43.9	Very low	45.5	Very low	196 Å²	196	139.4 Å²	139.4	86%	0.86	80%	0.8	S	S	*	*			trans	-75.1	101.5	161.9	-84.3	-91.2	0	0	0	108.4	A7 A11	A7-F9 PolarHBondContact O-N 3.18Å; F9-A11 PolarHBondContact O-N 3.27Å; F9-A11 VanDerWaalsContact O-N 3.15Å
10	L	45.7	Very low	46.5	Very low	165 Å²	165	139.8 Å²	139.8	86%	0.864	79%	0.794	S	S	*	*			trans	-73.5	93.8	164.1	-92.1	150.8	0	0	0	108	L8 A12	L8-L10 PolarHBondContact O-N 3.25Å; L10-A12 PolarHBondContact O-N 3.35Å; L10-A12 VanDerWaalsContact O-N 3.16Å
11	A	45.4	Very low	48.1	Very low	92 Å²	92	135.1 Å²	135.1	76%	0.76	77%	0.773	S	S	*	*			trans	-72.5	98.2	164.1	0	0	0	0	0	108	F9 S13	F9-A11 PolarHBondContact O-N 3.27Å; F9-A11 VanDerWaalsContact O-N 3.15Å; A11-S13 PolarHBondContact O-N 3.08Å
12	A	47.2	Very low	50.3	Low	82 Å²	82	131.6 Å²	131.6	68%	0.678	75%	0.754	S	S	*	*			trans	-70.4	96	166.7	0	0	0	0	0	107.9	L10 Y14	L10-A12 PolarHBondContact O-N 3.35Å; L10-A12 VanDerWaalsContact O-N 3.16Å; A12-Y14 PolarHBondContact O-N 2.95Å
13	S	45.6	Very low	52.8	Low	104 Å²	104	124.1 Å²	124.1	73%	0.727	73%	0.725	S	S	*	*			trans	-64.4	102.2	166.4	50.1	0	0	0	0	108.3	A11 V15	A11-S13 PolarHBondContact O-N 3.08Å; S13-V15 PolarHBondContact O-N 2.81Å
14	Y	43.4	Very low	55.3	Low	223 Å²	223	121.6 Å²	121.6	88%	0.875	71%	0.714	S	S	*	*			trans	-64.3	100.9	162.3	-88.6	-96.1	0	0	0	107.6	A12 A16	A12-Y14 PolarHBondContact O-N 2.95Å; Y14-A16 VanDerWaalsContact C-N 3.33Å; Y14-A16 PolarHBondContact O-N 2.92Å; Y14-A16 VanDerWaalsContact O-N 3.15Å
15	V	43.9	Very low	57.4	Low	127 Å²	127	118.3 Å²	118.3	77%	0.77	70%	0.7	S	S	*	*			trans	-72.7	99.7	157.9	-179.2	0	0	0	0	104.7	S13 A17	S13-V15 PolarHBondContact O-N 2.81Å; V15-A17 VanDerWaalsContact C-N 3.26Å; V15-A17 PolarHBondContact O-N 2.96Å
16	A	43.5	Very low	59.8	Low	90 Å²	90	115.6 Å²	115.6	74%	0.744	69%	0.685	S	S	*	*			trans	-62.9	98.1	163.2	0	0	0	0	0	106.2	Y14 S18	Y14-A16 VanDerWaalsContact C-N 3.33Å; Y14-A16 PolarHBondContact O-N 2.92Å; Y14-A16 VanDerWaalsContact O-N 3.15Å; A16-S18 PolarHBondContact O-N 3.44Å
17	A	43.7	Very low	62.1	Low	88 Å²	88	117.6 Å²	117.6	73%	0.727	68%	0.683	S	S	*	*			trans	-58.1	111.9	157.8	0	0	0	0	0	104.9	V15 A19	V15-A17 VanDerWaalsContact C-N 3.26Å; V15-A17 PolarHBondContact O-N 2.96Å; A17-A19 PolarHBondContact O-N 3.09Å
18	S	50.9	Low	64.4	Low	96 Å²	96	116 Å²	116	67%	0.671	68%	0.675	S	S	*	*			trans	-53.8	113	169.8	50.5	0	0	0	0	106.3	A16 E20	A16-S18 PolarHBondContact O-N 3.44Å; S18-E20 VanDerWaalsContact C-N 3.33Å; S18-E20 PolarHBondContact O-N 3.47Å
19	A	51.6	Low	66.9	Low	102 Å²	102	108.8 Å²	108.8	84%	0.843	64%	0.637	S	S	*	*			trans	-64.7	103.1	169.1	0	0	0	0	0	105.9	A17	A17-A19 PolarHBondContact O-N 3.09Å
20	E	66.6	Low	69.5	Low	147 Å²	147	100.8 Å²	100.8	69%	0.687	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-59.5	139.2	-178.6	-69.5	168.5	-177.9	0	0	109.9	S18 E22	S18-E20 VanDerWaalsContact C-N 3.33Å; S18-E20 PolarHBondContact O-N 3.47Å; E20-E22 PolarHBondContact O-N 3.27Å
21	A	78.9	Confident	72	Confident	42 Å²	42	94.2 Å²	94.2	35%	0.347	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-67.3	121.4	179.8	0	0	0	0	0	110.1	V23 D35 N36	A21-V23 PolarHBondContact O-N 2.93Å; A21-D35 HydrophobicContact CB-CB 3.58Å; A21-N36 HydrophobicContact CB-CB 4.19Å; A21-N36 WeakPolarHBondContact O-CB 3.34Å
22	E	87.1	Confident	74.4	Confident	161 Å²	161	89.9 Å²	89.9	75%	0.752	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-59.2	130.2	-180	-173.8	-179.4	179	0	0	111.4	E20 K24	E20-E22 PolarHBondContact O-N 3.27Å; E22-K24 PolarHBondContact O-N 2.93Å
23	V	92.9	Very high	76.8	Confident	51 Å²	51	87.5 Å²	87.5	31%	0.309	51%	0.511	S	S	.	.			trans	-78.1	104.9	171.8	-179.6	0	0	0	0	108.8	A21 L30 N36 L40	A21-V23 PolarHBondContact O-N 2.93Å; V23-L30 HydrophobicContact CG1-CB 3.88Å; V23-L30 HydrophobicContact CG1-CD2 3.73Å; V23-L30 HydrophobicContact CG1-CG 4.3Å; V23-N36 HydrophobicContact CG2-CB 4.04Å; V23-L40 HydrophobicContact CG1-CD1 3.73Å; V23-L40 HydrophobicContact CG2-CB 4.37Å; V23-L40 HydrophobicContact CG2-CD1 4.17Å
24	K	95.2	Very high	79.2	Confident	136 Å²	136	85.1 Å²	85.1	59%	0.591	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	151	175.2	-62.3	175.1	-175.7	168.8	0	110.5	E22 V31	E22-K24 PolarHBondContact O-N 2.93Å; K24-V31 HydrophobicContact CB-CB 4.16Å; K24-V31 HydrophobicContact CB-CG2 4.22Å; K24-V31 PolarHBondContact O-N 3.22Å
25	V	95.7	Very high	81.6	Confident	93 Å²	93	80.9 Å²	80.9	56%	0.564	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.6	174.6	-175.4	0	0	0	0	109	V29 L30	V25-V29 WeakPolarHBondContact CA-O 3.46Å; V25-L30 HydrophobicContact CG2-CD2 3.92Å
26	E	95.8	Very high	84.1	Confident	92 Å²	92	75.1 Å²	75.1	43%	0.43	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.3	174.9	-70.5	-178.9	-169	0	0	109.5	G28 V29 V31 K84	E26-G28 PolarHBondContact O-N 3.48Å; E26-G28 VanDerWaalsContact O-N 3.08Å; E26-V29 PolarHBondContact N-O 3.43Å; E26-V29 WeakPolarHBondContact O-CB 3.37Å; E26-V29 PolarHBondContact O-N 3.21Å; E26-V31 HydrophobicContact CB-CG2 4.16Å; E26-V31 HydrophobicContact CG-CG2 3.76Å; E26-K84 WeakPolarHBondContact OE2-CE 3.33Å; E26-K84 IonicContact OE2-NZ 2.67Å; E26-K84 PolarHBondContact OE2-NZ 3.18Å
27	E	94.9	Very high	86.7	Confident	150 Å²	150	71.1 Å²	71.1	70%	0.701	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	32.8	-178.7	-55.4	-172.3	99.8	0	0	113.8	V29 A67	E27-V29 VanDerWaalsContact C-N 3.3Å; E27-V29 PolarHBondContact O-N 2.95Å; E27-A67 HydrophobicContact CB-CB 3.76Å
28	G	94.8	Very high	89.1	Confident	43 Å²	43	75.5 Å²	75.5	44%	0.443	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	-3.4	-177.5	0	0	0	0	0	115	E26	E26-G28 PolarHBondContact O-N 3.48Å; E26-G28 VanDerWaalsContact O-N 3.08Å
29	V	98.1	Very high	91.1	Very high	5 Å²	5	75 Å²	75	3%	0.03	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.6	178.9	-173.9	0	0	0	0	110	V25 E26 E27 Y66 A67 A70 L82 K84	V25-V29 WeakPolarHBondContact CA-O 3.46Å; E26-V29 PolarHBondContact N-O 3.43Å; E26-V29 WeakPolarHBondContact O-CB 3.37Å; E26-V29 PolarHBondContact O-N 3.21Å; E27-V29 VanDerWaalsContact C-N 3.3Å; E27-V29 PolarHBondContact O-N 2.95Å; V29-Y66 HydrophobicContact CG1-CD1 3.93Å; V29-Y66 HydrophobicContact CG1-CE1 3.78Å; V29-Y66 HydrophobicContact CG2-CD1 3.9Å; V29-Y66 HydrophobicContact CG2-CE1 4.45Å; V29-A67 HydrophobicContact CG2-CB 4.39Å; V29-A70 HydrophobicContact CG2-CB 3.99Å; V29-L82 WeakPolarHBondContact CA-O 3.42Å; V29-K84 HydrophobicContact CG1-CB 3.99Å; V29-K84 HydrophobicContact CG1-CD 4.06Å; V29-K84 HydrophobicContact CG1-CG 3.85Å
30	L	98.1	Very high	93.3	Very high	28 Å²	28	70.2 Å²	70.2	15%	0.147	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	131.3	177	-57.3	170.6	0	0	0	110.5	V23 V25 L40 K81 L82 A83 K84	V23-L30 HydrophobicContact CG1-CB 3.88Å; V23-L30 HydrophobicContact CG1-CD2 3.73Å; V23-L30 HydrophobicContact CG1-CG 4.3Å; V25-L30 HydrophobicContact CG2-CD2 3.92Å; L30-L40 HydrophobicContact CB-CD1 3.93Å; L30-L40 HydrophobicContact CD1-CD1 4.15Å; L30-L40 HydrophobicContact CD1-CD2 4.35Å; L30-L40 HydrophobicContact CD1-CG 4.19Å; L30-K81 HydrophobicContact CD1-CB 3.79Å; L30-K81 HydrophobicContact CD1-CG 4.17Å; L30-L82 PolarHBondContact N-O 2.93Å; L30-A83 HydrophobicContact CB-CB 3.9Å; L30-A83 CarbonylContact O-C 3.44Å; L30-A83 WeakPolarHBondContact O-CA 3.32Å; L30-K84 PolarHBondContact O-N 3.13Å
31	V	97.9	Very high	94.7	Very high	27 Å²	27	63.8 Å²	63.8	16%	0.164	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	111.2	175.3	-175.5	0	0	0	0	108.6	K24 E26 N36	K24-V31 HydrophobicContact CB-CB 4.16Å; K24-V31 HydrophobicContact CB-CG2 4.22Å; K24-V31 PolarHBondContact O-N 3.22Å; E26-V31 HydrophobicContact CB-CG2 4.16Å; E26-V31 HydrophobicContact CG-CG2 3.76Å; V31-N36 PolarHBondContact O-ND2 2.67Å; V31-N36 VanDerWaalsContact O-ND2 3.14Å
32	A	97.7	Very high	95.3	Very high	1 Å²	1	65.3 Å²	65.3	1%	0.008	35%	0.347	C	S	.	.			trans	-102.3	135.7	-177.4	0	0	0	0	0	111	N36 F37 L40 A83 K84 V85	A32-N36 VanDerWaalsContact CA-OD1 3.26Å; A32-N36 WeakPolarHBondContact CA-OD1 3.45Å; A32-F37 HydrophobicContact CB-CD2 3.8Å; A32-F37 HydrophobicContact CB-CE2 4.36Å; A32-L40 HydrophobicContact CB-CD1 3.9Å; A32-A83 HydrophobicContact CB-CB 4.49Å; A32-K84 PolarHBondContact N-O 3.04Å; A32-V85 HydrophobicContact CB-CG2 3.72Å
33	T	97.3	Very high	95.6	Very high	32 Å²	32	62.9 Å²	62.9	20%	0.196	34%	0.34	C	S	.	.			trans	-132.4	164.6	-179.8	65.5	0	0	0	0	109.3	D35 N36 F37 E90	T33-D35 PolarHBondContact O-N 2.97Å; T33-D35 VanDerWaalsContact O-N 3.11Å; T33-N36 PolarHBondContact N-OD1 3.49Å; T33-N36 PolarHBondContact O-N 3.37Å; T33-N36 PolarHBondContact O-OD1 2.85Å; T33-F37 VanDerWaalsContact O-CB 3.25Å; T33-F37 WeakPolarHBondContact O-CB 3.36Å; T33-F37 PolarHBondContact O-N 3.31Å; T33-E90 WeakPolarHBondContact CB-OE1 3.45Å; T33-E90 WeakPolarHBondContact CG2-OE1 3.16Å
34	V	94.8	Very high	95.6	Very high	53 Å²	53	62.2 Å²	62.2	32%	0.321	34%	0.335	S	S	.	.	H	α-helix	trans	-48.4	-40.9	175.9	166.8	0	0	0	0	111.5	N36 E90 E92 L93	V34-N36 PolarHBondContact O-N 3.13Å; V34-E90 HydrophobicContact CG2-CB 4.49Å; V34-E90 VanDerWaalsContact CG2-OE2 3.24Å; V34-E90 WeakPolarHBondContact CG2-OE2 3.49Å; V34-E90 PolarHBondContact N-OE2 2.84Å; V34-E92 HydrophobicContact CG2-CB 3.98Å; V34-L93 HydrophobicContact CG2-CD1 4.21Å; V34-L93 HydrophobicContact CG2-CG 3.79Å
35	D	94.5	Very high	95.4	Very high	134 Å²	134	59.8 Å²	59.8	72%	0.717	33%	0.325	S	S	*	.	H	α-helix	trans	-68.7	-29.4	-177.1	-63.9	-36.5	0	0	0	114.8	A21 T33	A21-D35 HydrophobicContact CB-CB 3.58Å; T33-D35 PolarHBondContact O-N 2.97Å; T33-D35 VanDerWaalsContact O-N 3.11Å
36	N	96.8	Very high	95.3	Very high	7 Å²	7	55.9 Å²	55.9	4%	0.037	30%	0.301	C	S	.	.	H	α-helix	trans	-115.3	-13.8	-173.2	74.3	19.6	0	0	0	114.1	A21 V23 V31 A32 T33 V34 K38 Q39 L40	A21-N36 HydrophobicContact CB-CB 4.19Å; A21-N36 WeakPolarHBondContact O-CB 3.34Å; V23-N36 HydrophobicContact CG2-CB 4.04Å; V31-N36 PolarHBondContact O-ND2 2.67Å; V31-N36 VanDerWaalsContact O-ND2 3.14Å; A32-N36 VanDerWaalsContact CA-OD1 3.26Å; A32-N36 WeakPolarHBondContact CA-OD1 3.45Å; T33-N36 PolarHBondContact N-OD1 3.49Å; T33-N36 PolarHBondContact O-N 3.37Å; T33-N36 PolarHBondContact O-OD1 2.85Å; V34-N36 PolarHBondContact O-N 3.13Å; N36-K38 PolarHBondContact O-N 2.96Å; N36-Q39 PolarHBondContact O-N 3.39Å; N36-L40 WeakPolarHBondContact O-CB 3.49Å; N36-L40 PolarHBondContact O-N 2.87Å
37	F	96.9	Very high	95.4	Very high	5 Å²	5	51.5 Å²	51.5	2%	0.022	28%	0.28	C	S	.	.	H	α-helix	trans	-58.8	-48.2	-169.8	-168.7	-84.4	0	0	0	112.8	A32 T33 Q39 L40 I41 V49 F51 V85 L93 Y97 F108	A32-F37 HydrophobicContact CB-CD2 3.8Å; A32-F37 HydrophobicContact CB-CE2 4.36Å; T33-F37 VanDerWaalsContact O-CB 3.25Å; T33-F37 WeakPolarHBondContact O-CB 3.36Å; T33-F37 PolarHBondContact O-N 3.31Å; F37-Q39 VanDerWaalsContact C-N 3.3Å; F37-Q39 PolarHBondContact O-N 2.98Å; F37-L40 PolarHBondContact O-N 3.25Å; F37-I41 HydrophobicContact CD1-CG1 3.81Å; F37-I41 HydrophobicContact CE1-CD1 4.18Å; F37-I41 HydrophobicContact CE1-CG1 3.44Å; F37-I41 VanDerWaalsContact CE1-CG1 3.44Å; F37-I41 HydrophobicContact CZ-CD1 4.13Å; F37-I41 HydrophobicContact CZ-CG1 3.88Å; F37-I41 WeakPolarHBondContact O-CG1 3.47Å; F37-I41 PolarHBondContact O-N 3.22Å; F37-V49 HydrophobicContact CE2-CG1 3.96Å; F37-V49 HydrophobicContact CE2-CG2 4.14Å; F37-V49 HydrophobicContact CZ-CG1 4.49Å; F37-V49 HydrophobicContact CZ-CG2 4.15Å; F37-F51 HydrophobicContact CE2-CZ 4.37Å; F37-F51 HydrophobicContact CZ-CZ 4.43Å; F37-V85 HydrophobicContact CD2-CG2 4Å; F37-V85 HydrophobicContact CE2-CG2 3.86Å; F37-L93 HydrophobicContact CB-CD1 3.92Å; F37-L93 HydrophobicContact CB-CD2 3.9Å; F37-L93 HydrophobicContact CD1-CD2 3.97Å; F37-L93 HydrophobicContact CD2-CD1 3.66Å; F37-L93 HydrophobicContact CD2-CD2 4.09Å; F37-L93 HydrophobicContact CE2-CD1 4.46Å; F37-L93 HydrophobicContact CG-CD1 3.95Å; F37-L93 HydrophobicContact CG-CD2 3.71Å; F37-Y97 HydrophobicContact CD1-CE2 4.1Å; F37-Y97 HydrophobicContact CE1-CD2 4.46Å; F37-Y97 AromaticContact CE1-CE2 3.41Å; F37-Y97 HydrophobicContact CE1-CE2 3.41Å; F37-Y97 VanDerWaalsContact CE1-CE2 3.41Å; F37-Y97 AromaticContact CE1-CZ 3.6Å; F37-Y97 VanDerWaalsContact CE1-OH 3.29Å; F37-Y97 WeakPolarHBondContact CE1-OH 3.25Å; F37-Y97 HydrophobicContact CZ-CD2 4.39Å; F37-Y97 AromaticContact CZ-CE2 3.72Å; F37-Y97 HydrophobicContact CZ-CE2 3.72Å; F37-F108 HydrophobicContact CE1-CE1 4.01Å; F37-F108 AromaticContact CE1-CZ 3.89Å; F37-F108 HydrophobicContact CE1-CZ 3.89Å; F37-F108 HydrophobicContact CZ-CE1 4.11Å; F37-F108 AromaticContact CZ-CE2 3.88Å; F37-F108 HydrophobicContact CZ-CE2 3.88Å; F37-F108 AromaticContact CZ-CZ 3.53Å; F37-F108 HydrophobicContact CZ-CZ 3.53Å
38	K	94.5	Very high	95.6	Very high	180 Å²	180	44.4 Å²	44.4	78%	0.783	25%	0.247	S	C	*	.	H	α-helix	trans	-59.3	-42.9	-177.2	-175.6	179.2	178.3	-179.1	0	111.8	N36 A42	N36-K38 PolarHBondContact O-N 2.96Å; K38-A42 WeakPolarHBondContact O-CB 3.44Å; K38-A42 PolarHBondContact O-N 3.15Å; K38-A42 VanDerWaalsContact O-N 3.1Å
39	Q	94.2	Very high	95.8	Very high	85 Å²	85	42.3 Å²	42.3	40%	0.397	23%	0.226	S	C	.	.	H	α-helix	trans	-73.2	-42.9	179.4	-167.5	59.9	42.3	0	0	111	N36 F37 I41 A42 D43	N36-Q39 PolarHBondContact O-N 3.39Å; F37-Q39 VanDerWaalsContact C-N 3.3Å; F37-Q39 PolarHBondContact O-N 2.98Å; Q39-I41 VanDerWaalsContact C-N 3.28Å; Q39-I41 PolarHBondContact O-N 2.98Å; Q39-A42 CarbonylContact O-C 3.54Å; Q39-A42 PolarHBondContact O-N 2.98Å; Q39-D43 PolarHBondContact NE2-OD1 3.39Å; Q39-D43 PolarHBondContact NE2-OD2 3.26Å; Q39-D43 WeakPolarHBondContact O-CB 3.47Å; Q39-D43 PolarHBondContact O-N 3.08Å
40	L	96.2	Very high	95.8	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-54	-45.5	175.6	-177.1	160.6	0	0	0	111.7	V23 L30 A32 N36 F37 N44 V47 A83	V23-L40 HydrophobicContact CG1-CD1 3.73Å; V23-L40 HydrophobicContact CG2-CB 4.37Å; V23-L40 HydrophobicContact CG2-CD1 4.17Å; L30-L40 HydrophobicContact CB-CD1 3.93Å; L30-L40 HydrophobicContact CD1-CD1 4.15Å; L30-L40 HydrophobicContact CD1-CD2 4.35Å; L30-L40 HydrophobicContact CD1-CG 4.19Å; A32-L40 HydrophobicContact CB-CD1 3.9Å; N36-L40 WeakPolarHBondContact O-CB 3.49Å; N36-L40 PolarHBondContact O-N 2.87Å; F37-L40 PolarHBondContact O-N 3.25Å; L40-N44 PolarHBondContact O-N 3.45Å; L40-N44 PolarHBondContact O-ND2 3.07Å; L40-V47 HydrophobicContact CD2-CG1 3.8Å; L40-V47 HydrophobicContact CD2-CG2 4.15Å; L40-A83 HydrophobicContact CD1-CB 4.46Å; L40-A83 HydrophobicContact CD2-CB 4.3Å
41	I	95.9	Very high	95.8	Very high	11 Å²	11	41 Å²	41	6%	0.056	22%	0.219	C	C	.	.	H	α-helix	trans	-70.9	-32.6	177.1	-64.8	-55.3	0	0	0	112.3	F37 Q39 N44 V47 V49 F108	F37-I41 HydrophobicContact CD1-CG1 3.81Å; F37-I41 HydrophobicContact CE1-CD1 4.18Å; F37-I41 HydrophobicContact CE1-CG1 3.44Å; F37-I41 VanDerWaalsContact CE1-CG1 3.44Å; F37-I41 HydrophobicContact CZ-CD1 4.13Å; F37-I41 HydrophobicContact CZ-CG1 3.88Å; F37-I41 WeakPolarHBondContact O-CG1 3.47Å; F37-I41 PolarHBondContact O-N 3.22Å; Q39-I41 VanDerWaalsContact C-N 3.28Å; Q39-I41 PolarHBondContact O-N 2.98Å; I41-N44 VanDerWaalsContact O-O 3.11Å; I41-V47 HydrophobicContact CD1-CB 3.8Å; I41-V47 HydrophobicContact CD1-CG1 4.01Å; I41-V47 HydrophobicContact CD1-CG2 4.02Å; I41-V49 HydrophobicContact CD1-CG2 4.13Å; I41-F108 HydrophobicContact CD1-CB 3.87Å; I41-F108 HydrophobicContact CD1-CD1 3.96Å; I41-F108 HydrophobicContact CD1-CD2 3.9Å; I41-F108 HydrophobicContact CD1-CE1 4.48Å; I41-F108 HydrophobicContact CD1-CE2 4.46Å; I41-F108 HydrophobicContact CD1-CG 3.64Å; I41-F108 HydrophobicContact CG1-CD1 4.19Å; I41-F108 HydrophobicContact CG1-CE1 4.48Å; I41-F108 HydrophobicContact CG1-CG 4.37Å; I41-F108 HydrophobicContact CG2-CB 4.29Å; I41-F108 HydrophobicContact CG2-CD1 3.88Å; I41-F108 HydrophobicContact CG2-CG 4.35Å
42	A	91.8	Very high	95.8	Very high	74 Å²	74	42 Å²	42	61%	0.612	22%	0.22	S	C	*	.	H	α-helix	trans	-71.9	-36.4	176.6	0	0	0	0	0	112.9	K38 Q39	K38-A42 WeakPolarHBondContact O-CB 3.44Å; K38-A42 PolarHBondContact O-N 3.15Å; K38-A42 VanDerWaalsContact O-N 3.1Å; Q39-A42 CarbonylContact O-C 3.54Å; Q39-A42 PolarHBondContact O-N 2.98Å
43	D	93.9	Very high	95.6	Very high	111 Å²	111	42 Å²	42	59%	0.594	22%	0.219	S	C	*	.	H	α-helix	trans	-78.3	-19.2	-177.1	-73.1	-16.8	0	0	0	113.6	Q39	Q39-D43 PolarHBondContact NE2-OD1 3.39Å; Q39-D43 PolarHBondContact NE2-OD2 3.26Å; Q39-D43 WeakPolarHBondContact O-CB 3.47Å; Q39-D43 PolarHBondContact O-N 3.08Å
44	N	93.9	Very high	95.3	Very high	37 Å²	37	43.3 Å²	43.3	20%	0.198	23%	0.229	C	C	.	.			trans	-123	118.8	-173.9	-63.6	-84.1	0	0	0	110.3	L40 I41 F46 V47 K81	L40-N44 PolarHBondContact O-N 3.45Å; L40-N44 PolarHBondContact O-ND2 3.07Å; I41-N44 VanDerWaalsContact O-O 3.11Å; N44-F46 VanDerWaalsContact C-N 3.25Å; N44-F46 PolarHBondContact O-N 3.04Å; N44-V47 HydrophobicContact CB-CG2 3.37Å; N44-K81 HydrophobicContact CB-CG 4.21Å; N44-K81 WeakPolarHBondContact OD1-CG 3.43Å
45	E	90	Very high	95.1	Very high	85 Å²	85	49.3 Å²	49.3	40%	0.397	25%	0.246	S	C	.	.	S	Bend	trans	-61.6	-33.9	-178.6	-170.5	179.4	-179.1	0	0	112.5	R109 S110	E45-R109 CarbonylContact O-C 3.57Å; E45-R109 WeakPolarHBondContact O-CA 3.4Å; E45-S110 PolarHBondContact O-N 3.47Å
46	F	94.2	Very high	94.9	Very high	11 Å²	11	43.5 Å²	43.5	5%	0.048	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	112	-176.9	-53.9	-63.3	0	0	0	110.8	N44 P79 I80 K81 F107 F108 R109 T133	N44-F46 VanDerWaalsContact C-N 3.25Å; N44-F46 PolarHBondContact O-N 3.04Å; F46-P79 HydrophobicContact CD2-CB 4.26Å; F46-P79 HydrophobicContact CD2-CG 4.05Å; F46-P79 HydrophobicContact CE2-CG 4.27Å; F46-I80 HydrophobicContact CB-CB 4.46Å; F46-I80 HydrophobicContact CB-CG1 4.15Å; F46-I80 HydrophobicContact CB-CG2 4.47Å; F46-I80 HydrophobicContact CD2-CG1 4.48Å; F46-K81 PolarHBondContact O-N 2.81Å; F46-F107 HydrophobicContact CB-CE2 4.01Å; F46-F107 HydrophobicContact CB-CZ 3.92Å; F46-F107 HydrophobicContact CD1-CE1 4.46Å; F46-F107 AromaticContact CD1-CZ 3.76Å; F46-F107 HydrophobicContact CD1-CZ 3.76Å; F46-F107 HydrophobicContact CG-CZ 4.23Å; F46-F108 WeakPolarHBondContact CA-O 3.47Å; F46-R109 HydrophobicContact CD1-CB 4.39Å; F46-R109 HydrophobicContact CD1-CG 4.03Å; F46-R109 HydrophobicContact CE1-CG 3.77Å; F46-T133 HydrophobicContact CB-CG2 3.91Å; F46-T133 HydrophobicContact CD1-CG2 3.55Å; F46-T133 HydrophobicContact CD2-CG2 3.9Å; F46-T133 HydrophobicContact CE1-CG2 3.91Å; F46-T133 HydrophobicContact CE2-CG2 4.28Å; F46-T133 HydrophobicContact CG-CG2 3.51Å; F46-T133 HydrophobicContact CZ-CG2 4.27Å
47	V	97.6	Very high	94.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	117.6	179	-170.2	0	0	0	0	110.2	L40 I41 N44 V49 K81 A83 F108	L40-V47 HydrophobicContact CD2-CG1 3.8Å; L40-V47 HydrophobicContact CD2-CG2 4.15Å; I41-V47 HydrophobicContact CD1-CB 3.8Å; I41-V47 HydrophobicContact CD1-CG1 4.01Å; I41-V47 HydrophobicContact CD1-CG2 4.02Å; N44-V47 HydrophobicContact CB-CG2 3.37Å; V47-V49 HydrophobicContact CG1-CG2 3.82Å; V47-K81 CarbonylContact C-O 3.43Å; V47-K81 VanDerWaalsContact CA-O 3.31Å; V47-K81 WeakPolarHBondContact CA-O 3.29Å; V47-K81 HydrophobicContact CG2-CB 4.46Å; V47-A83 HydrophobicContact CG1-CB 3.82Å; V47-F108 HydrophobicContact CB-CB 4.35Å; V47-F108 PolarHBondContact N-O 3.03Å; V47-F108 PolarHBondContact O-N 3.02Å
48	L	98.3	Very high	94.5	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	123.6	164	-173.6	62.9	0	0	0	108.2	Y66 K81 L82 A83 L105 F107 Y116 I125 V129	L48-Y66 HydrophobicContact CD2-CE2 3.79Å; L48-Y66 HydrophobicContact CG-CE2 4.15Å; L48-Y66 WeakPolarHBondContact CG-OH 3.32Å; L48-Y66 PolarHBondContact O-OH 2.93Å; L48-K81 PolarHBondContact N-O 2.74Å; L48-L82 HydrophobicContact CB-CD1 4.36Å; L48-L82 HydrophobicContact CB-CG 4.29Å; L48-L82 CarbonylContact O-C 3.58Å; L48-L82 WeakPolarHBondContact O-CA 3.3Å; L48-A83 PolarHBondContact O-N 3.09Å; L48-L105 HydrophobicContact CD1-CB 4.3Å; L48-L105 HydrophobicContact CD1-CD2 4.33Å; L48-L105 HydrophobicContact CD2-CD2 4.02Å; L48-L105 HydrophobicContact CG-CD2 4.2Å; L48-F107 HydrophobicContact CB-CD2 4.23Å; L48-F107 HydrophobicContact CD1-CB 3.91Å; L48-F107 HydrophobicContact CD1-CD2 4.38Å; L48-Y116 HydrophobicContact CD1-CD2 3.7Å; L48-Y116 HydrophobicContact CD1-CG 4Å; L48-Y116 HydrophobicContact CD2-CD2 4.13Å; L48-Y116 HydrophobicContact CD2-CE2 4.22Å; L48-I125 HydrophobicContact CD2-CG2 3.66Å; L48-V129 HydrophobicContact CB-CG1 4.33Å; L48-V129 HydrophobicContact CD2-CG1 3.89Å
49	V	98.5	Very high	94.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.7	179.6	-177.6	0	0	0	0	109.4	F37 I41 V47 F51 A83 V85 L105 K106 F108	F37-V49 HydrophobicContact CE2-CG1 3.96Å; F37-V49 HydrophobicContact CE2-CG2 4.14Å; F37-V49 HydrophobicContact CZ-CG1 4.49Å; F37-V49 HydrophobicContact CZ-CG2 4.15Å; I41-V49 HydrophobicContact CD1-CG2 4.13Å; V47-V49 HydrophobicContact CG1-CG2 3.82Å; V49-F51 HydrophobicContact CB-CE2 4.19Å; V49-F51 HydrophobicContact CG1-CD2 4.07Å; V49-F51 HydrophobicContact CG1-CE2 3.66Å; V49-F51 HydrophobicContact CG1-CZ 3.98Å; V49-A83 CarbonylContact C-O 3.56Å; V49-A83 WeakPolarHBondContact CA-O 3.33Å; V49-A83 HydrophobicContact CG2-CB 4.25Å; V49-V85 HydrophobicContact CG1-CG2 3.73Å; V49-L105 VanDerWaalsContact O-CA 3.3Å; V49-L105 WeakPolarHBondContact O-CA 3.06Å; V49-K106 PolarHBondContact N-O 3.4Å; V49-K106 PolarHBondContact O-N 3.45Å; V49-F108 HydrophobicContact CB-CD2 4.24Å; V49-F108 HydrophobicContact CB-CE2 3.91Å; V49-F108 HydrophobicContact CG2-CD2 3.53Å; V49-F108 HydrophobicContact CG2-CE2 3.51Å
50	E	98.4	Very high	94.6	Very high	6 Å²	6	44.8 Å²	44.8	3%	0.028	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	116.9	168.6	-175.9	-166.9	-175.1	0	0	110.2	L62 Y66 A83 K84 V85 P103 L105	E50-L62 HydrophobicContact CG-CD2 4.17Å; E50-L62 WeakPolarHBondContact OE1-CD2 3.48Å; E50-Y66 HydrophobicContact CB-CE1 4.04Å; E50-Y66 HydrophobicContact CB-CE2 4.37Å; E50-Y66 PolarHBondContact N-OH 3.48Å; E50-A83 PolarHBondContact N-O 2.58Å; E50-K84 HydrophobicContact CB-CB 4.45Å; E50-K84 CarbonylContact O-C 3.54Å; E50-K84 VanDerWaalsContact O-CA 3.27Å; E50-K84 WeakPolarHBondContact O-CA 3.3Å; E50-V85 PolarHBondContact O-N 2.91Å; E50-P103 HydrophobicContact CG-CB 4.14Å; E50-L105 HydrophobicContact CB-CG 4.36Å; E50-L105 HydrophobicContact CG-CD1 4.45Å; E50-L105 HydrophobicContact CG-CG 4.43Å
51	F	98.4	Very high	94.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	116.3	165.5	-64.9	-94.6	0	0	0	108.9	F37 V49 V85 A87 L93 Y97 V99 P103 T104 K106	F37-F51 HydrophobicContact CE2-CZ 4.37Å; F37-F51 HydrophobicContact CZ-CZ 4.43Å; V49-F51 HydrophobicContact CB-CE2 4.19Å; V49-F51 HydrophobicContact CG1-CD2 4.07Å; V49-F51 HydrophobicContact CG1-CE2 3.66Å; V49-F51 HydrophobicContact CG1-CZ 3.98Å; F51-V85 WeakPolarHBondContact CA-O 3.27Å; F51-V85 HydrophobicContact CD1-CB 3.79Å; F51-V85 HydrophobicContact CD1-CG1 3.85Å; F51-V85 HydrophobicContact CD1-CG2 4.33Å; F51-V85 HydrophobicContact CE1-CB 4Å; F51-V85 HydrophobicContact CE1-CG1 3.97Å; F51-V85 HydrophobicContact CE1-CG2 4.07Å; F51-V85 HydrophobicContact CG-CB 4.46Å; F51-A87 HydrophobicContact CB-CB 4.39Å; F51-L93 HydrophobicContact CE1-CB 4.16Å; F51-Y97 HydrophobicContact CE1-CD2 4.32Å; F51-Y97 AromaticContact CZ-CD2 3.74Å; F51-Y97 HydrophobicContact CZ-CD2 3.74Å; F51-Y97 HydrophobicContact CZ-CG 4.17Å; F51-V99 HydrophobicContact CB-CG1 4.02Å; F51-V99 HydrophobicContact CB-CG2 3.9Å; F51-V99 HydrophobicContact CD1-CG2 3.76Å; F51-V99 HydrophobicContact CD2-CG2 3.91Å; F51-V99 HydrophobicContact CE1-CG2 4.22Å; F51-V99 HydrophobicContact CE2-CG2 4.37Å; F51-V99 HydrophobicContact CG-CG2 3.58Å; F51-P103 WeakPolarHBondContact O-CA 3.42Å; F51-T104 PolarHBondContact N-O 2.67Å; F51-T104 PolarHBondContact O-N 3.06Å; F51-K106 HydrophobicContact CE2-CB 4.35Å; F51-K106 HydrophobicContact CE2-CD 4.11Å; F51-K106 HydrophobicContact CE2-CG 4.4Å
52	Y	97.6	Very high	94.7	Very high	47 Å²	47	47.5 Å²	47.5	18%	0.184	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	166.8	-172.5	78	-81.9	0	0	0	112.4	P54 C59 K84 V85 D86 A87	Y52-P54 HydrophobicContact CE2-CG 4.34Å; Y52-C59 VanDerWaalsContact CB-SG 3.59Å; Y52-K84 HydrophobicContact CD1-CB 4.06Å; Y52-K84 HydrophobicContact CE1-CB 3.9Å; Y52-K84 HydrophobicContact CE1-CD 4.08Å; Y52-K84 HydrophobicContact CE1-CG 4.02Å; Y52-V85 WeakPolarHBondContact CD1-O 3.31Å; Y52-V85 VanDerWaalsContact CE1-C 3.45Å; Y52-V85 WeakPolarHBondContact CE1-O 3.18Å; Y52-V85 PolarHBondContact N-O 3.06Å; Y52-D86 HydrophobicContact CE1-CB 4.08Å; Y52-D86 HydrophobicContact CE2-CB 4.45Å; Y52-A87 PolarHBondContact O-N 2.91Å
53	A	94.2	Very high	95	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.247	C	C	.	.			trans	-123.8	135.7	168	0	0	0	0	0	109.6	W55 C56 T88 Y102	A53-W55 HydrophobicContact CB-CD2 4.19Å; A53-W55 HydrophobicContact CB-CH2 4.42Å; A53-W55 HydrophobicContact CB-CZ2 3.89Å; A53-W55 PolarHBondContact O-N 2.85Å; A53-W55 VanDerWaalsContact O-N 3.1Å; A53-C56 HydrophobicContact CB-CB 4.17Å; A53-C56 WeakPolarHBondContact O-CB 3.46Å; A53-C56 PolarHBondContact O-N 2.79Å; A53-T88 HydrophobicContact CB-CG2 3.51Å; A53-Y102 HydrophobicContact CB-CD2 3.58Å; A53-Y102 HydrophobicContact CB-CE2 3.89Å; A53-Y102 HydrophobicContact CB-CG 3.98Å
54	P	91.8	Very high	95.2	Very high	61 Å²	61	44.2 Å²	44.2	40%	0.396	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-27.3	-174.3	-27.8	35.2	0	0	0	114.6	Y52 K60 D86 T88	Y52-P54 HydrophobicContact CE2-CG 4.34Å; P54-K60 WeakPolarHBondContact O-CE 3.5Å; P54-D86 WeakPolarHBondContact CD-OD1 3.48Å; P54-D86 WeakPolarHBondContact CD-OD2 3.37Å; P54-D86 WeakPolarHBondContact CG-OD2 3.41Å; P54-T88 WeakPolarHBondContact CD-OG1 3.45Å
55	W	89.5	Confident	95.4	Very high	178 Å²	178	45.2 Å²	45.2	67%	0.674	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-11.5	179.5	48.9	-101.8	0	0	0	113.6	A53 G57 Y102	A53-W55 HydrophobicContact CB-CD2 4.19Å; A53-W55 HydrophobicContact CB-CH2 4.42Å; A53-W55 HydrophobicContact CB-CZ2 3.89Å; A53-W55 PolarHBondContact O-N 2.85Å; A53-W55 VanDerWaalsContact O-N 3.1Å; W55-G57 PolarHBondContact O-N 3.38Å; W55-Y102 HydrophobicContact CH2-CD2 4.34Å; W55-Y102 HydrophobicContact CZ2-CE2 4.47Å
56	C	90.2	Very high	95.8	Very high	12 Å²	12	41.2 Å²	41.2	8%	0.081	23%	0.227	C	C	.	.			trans	-73.1	120.7	-175.7	177.2	0	0	0	0	112.4	A53 H58 C59 K60	A53-C56 HydrophobicContact CB-CB 4.17Å; A53-C56 WeakPolarHBondContact O-CB 3.46Å; A53-C56 PolarHBondContact O-N 2.79Å; C56-H58 VanDerWaalsContact C-N 3.33Å; C56-H58 PolarHBondContact O-N 2.86Å; C56-C59 HydrophobicContact CB-CB 3.92Å; C56-C59 VanDerWaalsContact CB-SG 3.56Å; C56-C59 PolarHBondContact O-N 2.83Å; C56-C59 PolarHBondContact SG-SG 2.88Å; C56-K60 WeakPolarHBondContact O-CG 3.28Å; C56-K60 PolarHBondContact O-N 2.9Å
57	G	92	Very high	96	Very high	52 Å²	52	41.2 Å²	41.2	54%	0.536	23%	0.229	S	C	.	.	H	α-helix	trans	-61.2	-36.9	178.7	0	0	0	0	0	113.8	W55 K60 A61	W55-G57 PolarHBondContact O-N 3.38Å; G57-K60 PolarHBondContact O-N 2.89Å; G57-A61 PolarHBondContact O-N 2.81Å; G57-A61 VanDerWaalsContact O-N 3.08Å
58	H	94	Very high	96	Very high	118 Å²	118	45.8 Å²	45.8	55%	0.546	25%	0.249	S	C	.	.	H	α-helix	trans	-68.1	-36.5	176.7	-66.4	149	0	0	0	112.6	C56 A61 L62	C56-H58 VanDerWaalsContact C-N 3.33Å; C56-H58 PolarHBondContact O-N 2.86Å; H58-A61 PolarHBondContact O-N 3.14Å; H58-L62 WeakPolarHBondContact O-CB 3.41Å; H58-L62 PolarHBondContact O-N 3.27Å
59	C	95.1	Very high	96	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.034	25%	0.249	C	C	.	.	H	α-helix	trans	-65.6	-45.5	174.4	-62.6	0	0	0	0	111.1	Y52 C56 A61 L62 A63	Y52-C59 VanDerWaalsContact CB-SG 3.59Å; C56-C59 HydrophobicContact CB-CB 3.92Å; C56-C59 VanDerWaalsContact CB-SG 3.56Å; C56-C59 PolarHBondContact O-N 2.83Å; C56-C59 PolarHBondContact SG-SG 2.88Å; C59-A61 PolarHBondContact O-N 2.82Å; C59-L62 PolarHBondContact O-N 3.41Å; C59-L62 VanDerWaalsContact O-N 3.07Å; C59-A63 PolarHBondContact O-N 3.47Å
60	K	96.1	Very high	96	Very high	130 Å²	130	46.1 Å²	46.1	57%	0.565	25%	0.252	S	S	*	.	H	α-helix	trans	-58.4	-35.7	175.4	-69.1	177.2	-175.1	176.7	0	112.6	P54 C56 G57 P64	P54-K60 WeakPolarHBondContact O-CE 3.5Å; C56-K60 WeakPolarHBondContact O-CG 3.28Å; C56-K60 PolarHBondContact O-N 2.9Å; G57-K60 PolarHBondContact O-N 2.89Å; K60-P64 WeakPolarHBondContact O-CD 3.5Å
61	A	96.5	Very high	96	Very high	68 Å²	68	50.9 Å²	50.9	56%	0.562	27%	0.274	S	S	*	.	H	α-helix	trans	-73.8	-32.7	176.4	0	0	0	0	0	113.1	G57 H58 C59	G57-A61 PolarHBondContact O-N 2.81Å; G57-A61 VanDerWaalsContact O-N 3.08Å; H58-A61 PolarHBondContact O-N 3.14Å; C59-A61 PolarHBondContact O-N 2.82Å
62	L	97.7	Very high	95.9	Very high	2 Å²	2	54 Å²	54	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-76	-39.3	178.2	176	57.9	0	0	0	112.3	E50 H58 C59 E65 Y66 P103 L105 R120 I125	E50-L62 HydrophobicContact CG-CD2 4.17Å; E50-L62 WeakPolarHBondContact OE1-CD2 3.48Å; H58-L62 WeakPolarHBondContact O-CB 3.41Å; H58-L62 PolarHBondContact O-N 3.27Å; C59-L62 PolarHBondContact O-N 3.41Å; C59-L62 VanDerWaalsContact O-N 3.07Å; L62-E65 PolarHBondContact O-N 2.97Å; L62-Y66 HydrophobicContact CD1-CD2 4.4Å; L62-Y66 PolarHBondContact O-N 2.81Å; L62-P103 HydrophobicContact CD2-CB 3.99Å; L62-P103 HydrophobicContact CD2-CG 3.9Å; L62-L105 HydrophobicContact CD2-CD1 3.8Å; L62-L105 HydrophobicContact CD2-CD2 4.4Å; L62-R120 HydrophobicContact CD1-CB 4.05Å; L62-R120 HydrophobicContact CD1-CG 4.38Å; L62-R120 WeakPolarHBondContact CD1-O 3.24Å; L62-I125 HydrophobicContact CD1-CD1 4.05Å
63	A	97.4	Very high	95.9	Very high	40 Å²	40	51.9 Å²	51.9	33%	0.331	28%	0.28	S	S	.	.	H	α-helix	trans	-43.5	-51.9	-175.8	0	0	0	0	0	115.3	C59 E65 Y66 A67	C59-A63 PolarHBondContact O-N 3.47Å; A63-E65 PolarHBondContact O-N 2.94Å; A63-Y66 PolarHBondContact O-N 2.73Å; A63-A67 WeakPolarHBondContact O-CB 3.48Å; A63-A67 PolarHBondContact O-N 3.06Å
64	P	97.8	Very high	95.9	Very high	76 Å²	76	54.9 Å²	54.9	49%	0.494	31%	0.306	S	S	.	.	H	α-helix	trans	-66.3	-34.8	179.3	25.4	-35	0	0	0	113.5	K60 K68	K60-P64 WeakPolarHBondContact O-CD 3.5Å; P64-K68 VanDerWaalsContact O-CB 3.25Å; P64-K68 WeakPolarHBondContact O-CB 3.46Å; P64-K68 PolarHBondContact O-N 2.94Å; P64-K68 VanDerWaalsContact O-N 3.09Å
65	E	98.3	Very high	96.1	Very high	58 Å²	58	58.2 Å²	58.2	27%	0.271	32%	0.316	S	S	.	.	H	α-helix	trans	-72.9	-33.4	175.9	-69.9	-62.8	134.1	0	0	111.5	L62 A63 A69 R120 A122	L62-E65 PolarHBondContact O-N 2.97Å; A63-E65 PolarHBondContact O-N 2.94Å; E65-A69 WeakPolarHBondContact O-CB 3.23Å; E65-A69 PolarHBondContact O-N 3.42Å; E65-R120 WeakPolarHBondContact CB-O 3.42Å; E65-A122 WeakPolarHBondContact O-CB 3.5Å; E65-A122 WeakPolarHBondContact OE2-CB 3.46Å; E65-A122 PolarHBondContact OE2-N 3.37Å
66	Y	98.3	Very high	96.2	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.008	31%	0.312	C	S	.	.	H	α-helix	trans	-68.8	-46.4	176.7	-155.8	-109.3	0	0	0	111.9	V29 L48 E50 L62 A63 K68 A69 A70 L82 A83 L105 I125	V29-Y66 HydrophobicContact CG1-CD1 3.93Å; V29-Y66 HydrophobicContact CG1-CE1 3.78Å; V29-Y66 HydrophobicContact CG2-CD1 3.9Å; V29-Y66 HydrophobicContact CG2-CE1 4.45Å; L48-Y66 HydrophobicContact CD2-CE2 3.79Å; L48-Y66 HydrophobicContact CG-CE2 4.15Å; L48-Y66 WeakPolarHBondContact CG-OH 3.32Å; L48-Y66 PolarHBondContact O-OH 2.93Å; E50-Y66 HydrophobicContact CB-CE1 4.04Å; E50-Y66 HydrophobicContact CB-CE2 4.37Å; E50-Y66 PolarHBondContact N-OH 3.48Å; L62-Y66 HydrophobicContact CD1-CD2 4.4Å; L62-Y66 PolarHBondContact O-N 2.81Å; A63-Y66 PolarHBondContact O-N 2.73Å; Y66-K68 VanDerWaalsContact C-N 3.34Å; Y66-K68 PolarHBondContact O-N 3.31Å; Y66-A69 PolarHBondContact O-N 2.94Å; Y66-A70 PolarHBondContact O-N 3.31Å; Y66-L82 HydrophobicContact CD1-CB 4.33Å; Y66-L82 HydrophobicContact CD1-CD2 4.09Å; Y66-L82 HydrophobicContact CD2-CD2 3.88Å; Y66-L82 HydrophobicContact CE1-CB 3.7Å; Y66-L82 HydrophobicContact CE1-CD2 4Å; Y66-L82 HydrophobicContact CE1-CG 3.99Å; Y66-L82 HydrophobicContact CE2-CD2 3.76Å; Y66-L82 HydrophobicContact CE2-CG 4.03Å; Y66-L82 HydrophobicContact CG-CD2 4.04Å; Y66-L82 WeakPolarHBondContact O-CD2 3.13Å; Y66-A83 WeakPolarHBondContact CE1-O 2.84Å; Y66-A83 PolarHBondContact OH-O 2.9Å; Y66-A83 VanDerWaalsContact OH-O 3.09Å; Y66-L105 HydrophobicContact CD2-CD2 4.42Å; Y66-L105 HydrophobicContact CE2-CD2 3.77Å; Y66-I125 HydrophobicContact CD2-CD1 3.98Å
67	A	98.3	Very high	96.3	Very high	11 Å²	11	64.5 Å²	64.5	9%	0.091	35%	0.349	C	S	.	.	H	α-helix	trans	-59.6	-44.1	172.6	0	0	0	0	0	111.9	E27 V29 A63 A69 A70 Q71	E27-A67 HydrophobicContact CB-CB 3.76Å; V29-A67 HydrophobicContact CG2-CB 4.39Å; A63-A67 WeakPolarHBondContact O-CB 3.48Å; A63-A67 PolarHBondContact O-N 3.06Å; A67-A69 VanDerWaalsContact C-N 3.34Å; A67-A69 PolarHBondContact O-N 3.04Å; A67-A70 WeakPolarHBondContact O-CB 3.44Å; A67-A70 PolarHBondContact O-N 3.23Å; A67-Q71 PolarHBondContact O-N 3.49Å
68	K	98.3	Very high	96.3	Very high	95 Å²	95	63.1 Å²	63.1	41%	0.413	33%	0.331	S	S	.	.	H	α-helix	trans	-60.8	-41.3	175.1	-179.7	-179.8	173.7	-170.2	0	112.4	P64 Y66 Q72 A122	P64-K68 VanDerWaalsContact O-CB 3.25Å; P64-K68 WeakPolarHBondContact O-CB 3.46Å; P64-K68 PolarHBondContact O-N 2.94Å; P64-K68 VanDerWaalsContact O-N 3.09Å; Y66-K68 VanDerWaalsContact C-N 3.34Å; Y66-K68 PolarHBondContact O-N 3.31Å; K68-Q72 WeakPolarHBondContact O-CB 3.36Å; K68-Q72 WeakPolarHBondContact O-CG 3.31Å; K68-Q72 PolarHBondContact O-N 3.23Å; K68-A122 HydrophobicContact CB-CB 4.1Å; K68-A122 HydrophobicContact CD-CB 3.85Å; K68-A122 HydrophobicContact CG-CB 3.87Å
69	A	98.2	Very high	96.2	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-63.3	-43.7	174.7	0	0	0	0	0	111.6	E65 Y66 A67 Q71 Q72 L73 L82 A122 I125 I126	E65-A69 WeakPolarHBondContact O-CB 3.23Å; E65-A69 PolarHBondContact O-N 3.42Å; Y66-A69 PolarHBondContact O-N 2.94Å; A67-A69 VanDerWaalsContact C-N 3.34Å; A67-A69 PolarHBondContact O-N 3.04Å; A69-Q71 PolarHBondContact O-N 3.46Å; A69-Q72 PolarHBondContact O-N 3.5Å; A69-L73 WeakPolarHBondContact O-CB 3.12Å; A69-L73 VanDerWaalsContact O-CG 3.31Å; A69-L73 WeakPolarHBondContact O-CG 3.29Å; A69-L73 PolarHBondContact O-N 3.11Å; A69-L82 HydrophobicContact CB-CD2 3.76Å; A69-A122 HydrophobicContact CB-CB 4.12Å; A69-I125 HydrophobicContact CB-CB 4.22Å; A69-I125 HydrophobicContact CB-CD1 4.46Å; A69-I125 HydrophobicContact CB-CG2 3.98Å; A69-I126 HydrophobicContact CB-CD1 4.43Å; A69-I126 HydrophobicContact CB-CG1 4.13Å
70	A	98.1	Very high	96.2	Very high	8 Å²	8	61 Å²	61	7%	0.066	33%	0.328	C	S	.	.	H	α-helix	trans	-60.5	-46	178.6	0	0	0	0	0	111.3	V29 Y66 A67 L73 A74 L82	V29-A70 HydrophobicContact CG2-CB 3.99Å; Y66-A70 PolarHBondContact O-N 3.31Å; A67-A70 WeakPolarHBondContact O-CB 3.44Å; A67-A70 PolarHBondContact O-N 3.23Å; A70-L73 PolarHBondContact O-N 2.85Å; A70-A74 WeakPolarHBondContact O-CB 3.22Å; A70-A74 PolarHBondContact O-N 2.91Å; A70-L82 HydrophobicContact CB-CB 3.94Å; A70-L82 HydrophobicContact CB-CD2 4.02Å; A70-L82 HydrophobicContact CB-CG 4.49Å
71	Q	97.7	Very high	96.3	Very high	106 Å²	106	58.4 Å²	58.4	50%	0.495	32%	0.317	S	S	.	.	H	α-helix	trans	-59.6	-49.6	175.5	-176.9	-177.3	-0.8	0	0	111.8	A67 A69 L73 A74 E75	A67-Q71 PolarHBondContact O-N 3.49Å; A69-Q71 PolarHBondContact O-N 3.46Å; Q71-L73 VanDerWaalsContact C-N 3.28Å; Q71-L73 PolarHBondContact O-N 3Å; Q71-A74 PolarHBondContact O-N 3.38Å; Q71-E75 HydrophobicContact CG-CG 4.41Å; Q71-E75 WeakPolarHBondContact CG-OE1 3.46Å; Q71-E75 PolarHBondContact NE2-OE1 3.23Å; Q71-E75 WeakPolarHBondContact O-CG 3.44Å; Q71-E75 PolarHBondContact O-N 2.98Å
72	Q	97.4	Very high	96.4	Very high	64 Å²	64	55.3 Å²	55.3	30%	0.299	29%	0.291	S	S	.	.	H	α-helix	trans	-64.8	-31.5	-178.8	-74.2	-176.6	-16.1	0	0	113.1	K68 A69 K76 I126	K68-Q72 WeakPolarHBondContact O-CB 3.36Å; K68-Q72 WeakPolarHBondContact O-CG 3.31Å; K68-Q72 PolarHBondContact O-N 3.23Å; A69-Q72 PolarHBondContact O-N 3.5Å; Q72-K76 WeakPolarHBondContact O-CD 3.48Å; Q72-K76 VanDerWaalsContact O-CG 3.27Å; Q72-K76 WeakPolarHBondContact O-CG 3.39Å; Q72-K76 PolarHBondContact O-N 2.88Å; Q72-I126 HydrophobicContact CB-CD1 3.68Å; Q72-I126 HydrophobicContact CG-CD1 4.42Å
73	L	96.4	Very high	96.4	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.016	29%	0.29	C	S	.	.	H	α-helix	trans	-71.1	-42	173.5	-72.9	166.1	0	0	0	111.2	A69 A70 Q71 K76 E77 S78 I80 L82 I126 V129	A69-L73 WeakPolarHBondContact O-CB 3.12Å; A69-L73 VanDerWaalsContact O-CG 3.31Å; A69-L73 WeakPolarHBondContact O-CG 3.29Å; A69-L73 PolarHBondContact O-N 3.11Å; A70-L73 PolarHBondContact O-N 2.85Å; Q71-L73 VanDerWaalsContact C-N 3.28Å; Q71-L73 PolarHBondContact O-N 3Å; L73-K76 PolarHBondContact O-N 3.09Å; L73-E77 PolarHBondContact O-N 3Å; L73-S78 WeakPolarHBondContact O-CB 3.46Å; L73-S78 PolarHBondContact O-N 3.1Å; L73-I80 HydrophobicContact CD1-CB 4.25Å; L73-I80 HydrophobicContact CD1-CG2 4Å; L73-I80 HydrophobicContact CD2-CB 4.34Å; L73-I80 HydrophobicContact CD2-CD1 4.17Å; L73-L82 HydrophobicContact CD1-CD1 3.36Å; L73-I126 HydrophobicContact CD1-CG1 4.47Å; L73-I126 HydrophobicContact CD2-CG1 4.35Å; L73-I126 HydrophobicContact CD2-CG2 4.33Å; L73-I126 HydrophobicContact CG-CG1 4.15Å; L73-V129 HydrophobicContact CD1-CG2 4.32Å
74	A	94.8	Very high	96.5	Very high	64 Å²	64	54.8 Å²	54.8	53%	0.529	28%	0.281	S	S	.	.	H	α-helix	trans	-63.7	-42.5	175.5	0	0	0	0	0	112.4	A70 Q71 K76 E77	A70-A74 WeakPolarHBondContact O-CB 3.22Å; A70-A74 PolarHBondContact O-N 2.91Å; Q71-A74 PolarHBondContact O-N 3.38Å; A74-K76 PolarHBondContact O-N 2.81Å; A74-E77 PolarHBondContact O-N 3.4Å
75	E	95.5	Very high	96.5	Very high	130 Å²	130	51.2 Å²	51.2	61%	0.607	26%	0.257	S	S	*	.	H	α-helix	trans	-61.6	-27.3	175.6	-75.2	173.3	-175.7	0	0	113	Q71 E77	Q71-E75 HydrophobicContact CG-CG 4.41Å; Q71-E75 WeakPolarHBondContact CG-OE1 3.46Å; Q71-E75 PolarHBondContact NE2-OE1 3.23Å; Q71-E75 WeakPolarHBondContact O-CG 3.44Å; Q71-E75 PolarHBondContact O-N 2.98Å; E75-E77 VanDerWaalsContact C-N 3.29Å
76	K	92.6	Very high	96.5	Very high	139 Å²	139	49.8 Å²	49.8	60%	0.604	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	6.5	174.7	-69.4	173.3	-176	175.3	0	113.2	Q72 L73 A74 S78	Q72-K76 WeakPolarHBondContact O-CD 3.48Å; Q72-K76 VanDerWaalsContact O-CG 3.27Å; Q72-K76 WeakPolarHBondContact O-CG 3.39Å; Q72-K76 PolarHBondContact O-N 2.88Å; L73-K76 PolarHBondContact O-N 3.09Å; A74-K76 PolarHBondContact O-N 2.81Å; K76-S78 PolarHBondContact O-N 2.8Å; K76-S78 VanDerWaalsContact O-N 3.13Å
77	E	91.3	Very high	96.4	Very high	183 Å²	183	50 Å²	50	86%	0.855	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	32.8	-173.6	-57.5	-173.7	146.1	0	0	112.6	L73 A74 E75	L73-E77 PolarHBondContact O-N 3Å; A74-E77 PolarHBondContact O-N 3.4Å; E75-E77 VanDerWaalsContact C-N 3.29Å
78	S	92.2	Very high	96	Very high	23 Å²	23	52.8 Å²	52.8	16%	0.161	27%	0.27	C	S	.	.			trans	-68.6	141.5	-178.3	-171.9	0	0	0	0	111.2	L73 K76 I80	L73-S78 WeakPolarHBondContact O-CB 3.46Å; L73-S78 PolarHBondContact O-N 3.1Å; K76-S78 PolarHBondContact O-N 2.8Å; K76-S78 VanDerWaalsContact O-N 3.13Å; S78-I80 PolarHBondContact O-N 2.93Å; S78-I80 VanDerWaalsContact OG-CG1 3.29Å; S78-I80 WeakPolarHBondContact OG-CG1 3.36Å; S78-I80 PolarHBondContact OG-N 2.74Å
79	P	92.2	Very high	95.9	Very high	75 Å²	75	53 Å²	53	49%	0.487	28%	0.279	S	S	.	.	S	Bend	trans	-68.6	-10.6	171.6	29.3	-35.5	0	0	0	112.8	F46	F46-P79 HydrophobicContact CD2-CB 4.26Å; F46-P79 HydrophobicContact CD2-CG 4.05Å; F46-P79 HydrophobicContact CE2-CG 4.27Å
80	I	95.9	Very high	95.8	Very high	5 Å²	5	54.6 Å²	54.6	3%	0.026	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	125.5	-177.1	-51.2	174.9	0	0	0	110.4	F46 L73 S78 L82 V129 T133	F46-I80 HydrophobicContact CB-CB 4.46Å; F46-I80 HydrophobicContact CB-CG1 4.15Å; F46-I80 HydrophobicContact CB-CG2 4.47Å; F46-I80 HydrophobicContact CD2-CG1 4.48Å; L73-I80 HydrophobicContact CD1-CB 4.25Å; L73-I80 HydrophobicContact CD1-CG2 4Å; L73-I80 HydrophobicContact CD2-CB 4.34Å; L73-I80 HydrophobicContact CD2-CD1 4.17Å; S78-I80 PolarHBondContact O-N 2.93Å; S78-I80 VanDerWaalsContact OG-CG1 3.29Å; S78-I80 WeakPolarHBondContact OG-CG1 3.36Å; S78-I80 PolarHBondContact OG-N 2.74Å; I80-L82 HydrophobicContact CG2-CD1 4.28Å; I80-V129 HydrophobicContact CD1-CB 4.12Å; I80-V129 HydrophobicContact CD1-CG2 3.74Å; I80-V129 HydrophobicContact CG2-CB 4.18Å; I80-V129 HydrophobicContact CG2-CG2 3.99Å; I80-T133 HydrophobicContact CD1-CG2 3.65Å; I80-T133 WeakPolarHBondContact CD1-OG1 3.28Å; I80-T133 HydrophobicContact CG1-CG2 3.81Å
81	K	97.7	Very high	95.4	Very high	75 Å²	75	56.1 Å²	56.1	33%	0.326	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	149.5	172.9	-54.2	-52.4	177.2	-167.6	0	111.4	L30 N44 F46 V47 L48	L30-K81 HydrophobicContact CD1-CB 3.79Å; L30-K81 HydrophobicContact CD1-CG 4.17Å; N44-K81 HydrophobicContact CB-CG 4.21Å; N44-K81 WeakPolarHBondContact OD1-CG 3.43Å; F46-K81 PolarHBondContact O-N 2.81Å; V47-K81 CarbonylContact C-O 3.43Å; V47-K81 VanDerWaalsContact CA-O 3.31Å; V47-K81 WeakPolarHBondContact CA-O 3.29Å; V47-K81 HydrophobicContact CG2-CB 4.46Å; L48-K81 PolarHBondContact N-O 2.74Å
82	L	98.4	Very high	95.3	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.016	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.9	170.4	-87.1	62.8	0	0	0	107.7	V29 L30 L48 Y66 A69 A70 L73 I80 I125	V29-L82 WeakPolarHBondContact CA-O 3.42Å; L30-L82 PolarHBondContact N-O 2.93Å; L48-L82 HydrophobicContact CB-CD1 4.36Å; L48-L82 HydrophobicContact CB-CG 4.29Å; L48-L82 CarbonylContact O-C 3.58Å; L48-L82 WeakPolarHBondContact O-CA 3.3Å; Y66-L82 HydrophobicContact CD1-CB 4.33Å; Y66-L82 HydrophobicContact CD1-CD2 4.09Å; Y66-L82 HydrophobicContact CD2-CD2 3.88Å; Y66-L82 HydrophobicContact CE1-CB 3.7Å; Y66-L82 HydrophobicContact CE1-CD2 4Å; Y66-L82 HydrophobicContact CE1-CG 3.99Å; Y66-L82 HydrophobicContact CE2-CD2 3.76Å; Y66-L82 HydrophobicContact CE2-CG 4.03Å; Y66-L82 HydrophobicContact CG-CD2 4.04Å; Y66-L82 WeakPolarHBondContact O-CD2 3.13Å; A69-L82 HydrophobicContact CB-CD2 3.76Å; A70-L82 HydrophobicContact CB-CB 3.94Å; A70-L82 HydrophobicContact CB-CD2 4.02Å; A70-L82 HydrophobicContact CB-CG 4.49Å; L73-L82 HydrophobicContact CD1-CD1 3.36Å; I80-L82 HydrophobicContact CG2-CD1 4.28Å; L82-I125 HydrophobicContact CD2-CG2 4.33Å
83	A	98.6	Very high	95.2	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	160.1	176.9	0	0	0	0	0	110.6	L30 A32 L40 V47 L48 V49 E50 Y66	L30-A83 HydrophobicContact CB-CB 3.9Å; L30-A83 CarbonylContact O-C 3.44Å; L30-A83 WeakPolarHBondContact O-CA 3.32Å; A32-A83 HydrophobicContact CB-CB 4.49Å; L40-A83 HydrophobicContact CD1-CB 4.46Å; L40-A83 HydrophobicContact CD2-CB 4.3Å; V47-A83 HydrophobicContact CG1-CB 3.82Å; L48-A83 PolarHBondContact O-N 3.09Å; V49-A83 CarbonylContact C-O 3.56Å; V49-A83 WeakPolarHBondContact CA-O 3.33Å; V49-A83 HydrophobicContact CG2-CB 4.25Å; E50-A83 PolarHBondContact N-O 2.58Å; Y66-A83 WeakPolarHBondContact CE1-O 2.84Å; Y66-A83 PolarHBondContact OH-O 2.9Å; Y66-A83 VanDerWaalsContact OH-O 3.09Å
84	K	98.4	Very high	95.1	Very high	31 Å²	31	55 Å²	55	14%	0.135	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	143.8	175.8	65.8	-177.6	-178.4	176.4	0	110.9	E26 V29 L30 A32 E50 Y52	E26-K84 WeakPolarHBondContact OE2-CE 3.33Å; E26-K84 IonicContact OE2-NZ 2.67Å; E26-K84 PolarHBondContact OE2-NZ 3.18Å; V29-K84 HydrophobicContact CG1-CB 3.99Å; V29-K84 HydrophobicContact CG1-CD 4.06Å; V29-K84 HydrophobicContact CG1-CG 3.85Å; L30-K84 PolarHBondContact O-N 3.13Å; A32-K84 PolarHBondContact N-O 3.04Å; E50-K84 HydrophobicContact CB-CB 4.45Å; E50-K84 CarbonylContact O-C 3.54Å; E50-K84 VanDerWaalsContact O-CA 3.27Å; E50-K84 WeakPolarHBondContact O-CA 3.3Å; Y52-K84 HydrophobicContact CD1-CB 4.06Å; Y52-K84 HydrophobicContact CE1-CB 3.9Å; Y52-K84 HydrophobicContact CE1-CD 4.08Å; Y52-K84 HydrophobicContact CE1-CG 4.02Å
85	V	98.4	Very high	95	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.1	177.8	176.8	0	0	0	0	107.9	A32 F37 V49 E50 F51 Y52 A87 E90 L93	A32-V85 HydrophobicContact CB-CG2 3.72Å; F37-V85 HydrophobicContact CD2-CG2 4Å; F37-V85 HydrophobicContact CE2-CG2 3.86Å; V49-V85 HydrophobicContact CG1-CG2 3.73Å; E50-V85 PolarHBondContact O-N 2.91Å; F51-V85 WeakPolarHBondContact CA-O 3.27Å; F51-V85 HydrophobicContact CD1-CB 3.79Å; F51-V85 HydrophobicContact CD1-CG1 3.85Å; F51-V85 HydrophobicContact CD1-CG2 4.33Å; F51-V85 HydrophobicContact CE1-CB 4Å; F51-V85 HydrophobicContact CE1-CG1 3.97Å; F51-V85 HydrophobicContact CE1-CG2 4.07Å; F51-V85 HydrophobicContact CG-CB 4.46Å; Y52-V85 WeakPolarHBondContact CD1-O 3.31Å; Y52-V85 VanDerWaalsContact CE1-C 3.45Å; Y52-V85 WeakPolarHBondContact CE1-O 3.18Å; Y52-V85 PolarHBondContact N-O 3.06Å; V85-A87 PolarHBondContact O-N 2.95Å; V85-A87 VanDerWaalsContact O-N 3.13Å; V85-E90 HydrophobicContact CG1-CB 3.7Å; V85-E90 HydrophobicContact CG1-CG 4.02Å; V85-L93 HydrophobicContact CG1-CB 4.38Å; V85-L93 HydrophobicContact CG1-CD1 4Å; V85-L93 HydrophobicContact CG2-CD1 4.3Å
86	D	97.5	Very high	95	Very high	28 Å²	28	59.3 Å²	59.3	15%	0.15	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	98.4	168.3	-173	-21.1	0	0	0	108.4	Y52 P54 T88 V89 E90	Y52-D86 HydrophobicContact CE1-CB 4.08Å; Y52-D86 HydrophobicContact CE2-CB 4.45Å; P54-D86 WeakPolarHBondContact CD-OD1 3.48Å; P54-D86 WeakPolarHBondContact CD-OD2 3.37Å; P54-D86 WeakPolarHBondContact CG-OD2 3.41Å; D86-T88 PolarHBondContact O-N 2.84Å; D86-T88 WeakPolarHBondContact OD1-CA 3.38Å; D86-T88 WeakPolarHBondContact OD1-CB 3.42Å; D86-T88 PolarHBondContact OD1-N 2.8Å; D86-T88 PolarHBondContact OD1-OG1 3.37Å; D86-V89 HydrophobicContact CB-CB 4.34Å; D86-V89 HydrophobicContact CB-CG2 4.35Å; D86-V89 PolarHBondContact O-N 2.81Å; D86-V89 VanDerWaalsContact O-N 3.09Å; D86-E90 WeakPolarHBondContact O-CB 3.41Å; D86-E90 WeakPolarHBondContact O-CG 3.45Å; D86-E90 PolarHBondContact O-N 3.27Å
87	A	95.9	Very high	95.1	Very high	6 Å²	6	54.5 Å²	54.5	5%	0.05	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-6.4	-177.6	0	0	0	0	0	113.3	F51 Y52 V85 A94 Y102	F51-A87 HydrophobicContact CB-CB 4.39Å; Y52-A87 PolarHBondContact O-N 2.91Å; V85-A87 PolarHBondContact O-N 2.95Å; V85-A87 VanDerWaalsContact O-N 3.13Å; A87-A94 HydrophobicContact CB-CB 3.88Å; A87-Y102 HydrophobicContact CB-CD1 4.31Å; A87-Y102 HydrophobicContact CB-CE1 3.36Å
88	T	91.5	Very high	95.2	Very high	70 Å²	70	48.4 Å²	48.4	43%	0.429	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-17.8	171.3	70.6	0	0	0	0	112.7	A53 P54 D86	A53-T88 HydrophobicContact CB-CG2 3.51Å; P54-T88 WeakPolarHBondContact CD-OG1 3.45Å; D86-T88 PolarHBondContact O-N 2.84Å; D86-T88 WeakPolarHBondContact OD1-CA 3.38Å; D86-T88 WeakPolarHBondContact OD1-CB 3.42Å; D86-T88 PolarHBondContact OD1-N 2.8Å; D86-T88 PolarHBondContact OD1-OG1 3.37Å
89	V	94.4	Very high	95.2	Very high	100 Å²	100	47.9 Å²	47.9	61%	0.606	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-43.3	175	178.2	0	0	0	0	110.2	D86 G91	D86-V89 HydrophobicContact CB-CB 4.34Å; D86-V89 HydrophobicContact CB-CG2 4.35Å; D86-V89 PolarHBondContact O-N 2.81Å; D86-V89 VanDerWaalsContact O-N 3.09Å; V89-G91 PolarHBondContact O-N 3.07Å
90	E	96	Very high	95.2	Very high	33 Å²	33	55 Å²	55	15%	0.154	28%	0.281	C	S	.	.			trans	-97.1	56.9	-173.8	-52.3	-64.8	160	0	0	111.2	T33 V34 V85 D86 E92 L93 A94	T33-E90 WeakPolarHBondContact CB-OE1 3.45Å; T33-E90 WeakPolarHBondContact CG2-OE1 3.16Å; V34-E90 HydrophobicContact CG2-CB 4.49Å; V34-E90 VanDerWaalsContact CG2-OE2 3.24Å; V34-E90 WeakPolarHBondContact CG2-OE2 3.49Å; V34-E90 PolarHBondContact N-OE2 2.84Å; V85-E90 HydrophobicContact CG1-CB 3.7Å; V85-E90 HydrophobicContact CG1-CG 4.02Å; D86-E90 WeakPolarHBondContact O-CB 3.41Å; D86-E90 WeakPolarHBondContact O-CG 3.45Å; D86-E90 PolarHBondContact O-N 3.27Å; E90-E92 VanDerWaalsContact C-N 3.28Å; E90-E92 PolarHBondContact O-N 3.23Å; E90-L93 HydrophobicContact CB-CB 4.44Å; E90-L93 HydrophobicContact CB-CD1 4.19Å; E90-L93 PolarHBondContact O-N 3.11Å; E90-L93 VanDerWaalsContact O-N 3.14Å; E90-A94 PolarHBondContact O-N 3.29Å
91	G	91.3	Very high	95.1	Very high	40 Å²	40	56.3 Å²	56.3	41%	0.412	30%	0.295	S	S	.	.	H	α-helix	trans	-56.1	-38	-174.3	0	0	0	0	0	114	V89 L93 A94 E95	V89-G91 PolarHBondContact O-N 3.07Å; G91-L93 PolarHBondContact O-N 2.88Å; G91-A94 WeakPolarHBondContact O-CB 3.45Å; G91-A94 PolarHBondContact O-N 2.93Å; G91-A94 VanDerWaalsContact O-N 3.16Å; G91-E95 PolarHBondContact O-N 2.96Å
92	E	94.2	Very high	94.9	Very high	136 Å²	136	56 Å²	56	64%	0.636	29%	0.292	S	S	*	.	H	α-helix	trans	-59.8	-43.1	177.3	-64.9	-175.4	-178.1	0	0	112.4	V34 E90 E95 Q96	V34-E92 HydrophobicContact CG2-CB 3.98Å; E90-E92 VanDerWaalsContact C-N 3.28Å; E90-E92 PolarHBondContact O-N 3.23Å; E92-E95 PolarHBondContact O-N 3.36Å; E92-Q96 WeakPolarHBondContact O-CB 3.49Å; E92-Q96 PolarHBondContact O-N 3.28Å
93	L	95.4	Very high	94.8	Very high	6 Å²	6	56.4 Å²	56.4	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-67.3	-39	176.5	-72	176.3	0	0	0	111.3	V34 F37 F51 V85 E90 G91 Q96 Y97	V34-L93 HydrophobicContact CG2-CD1 4.21Å; V34-L93 HydrophobicContact CG2-CG 3.79Å; F37-L93 HydrophobicContact CB-CD1 3.92Å; F37-L93 HydrophobicContact CB-CD2 3.9Å; F37-L93 HydrophobicContact CD1-CD2 3.97Å; F37-L93 HydrophobicContact CD2-CD1 3.66Å; F37-L93 HydrophobicContact CD2-CD2 4.09Å; F37-L93 HydrophobicContact CE2-CD1 4.46Å; F37-L93 HydrophobicContact CG-CD1 3.95Å; F37-L93 HydrophobicContact CG-CD2 3.71Å; F51-L93 HydrophobicContact CE1-CB 4.16Å; V85-L93 HydrophobicContact CG1-CB 4.38Å; V85-L93 HydrophobicContact CG1-CD1 4Å; V85-L93 HydrophobicContact CG2-CD1 4.3Å; E90-L93 HydrophobicContact CB-CB 4.44Å; E90-L93 HydrophobicContact CB-CD1 4.19Å; E90-L93 PolarHBondContact O-N 3.11Å; E90-L93 VanDerWaalsContact O-N 3.14Å; G91-L93 PolarHBondContact O-N 2.88Å; L93-Q96 PolarHBondContact O-N 3.37Å; L93-Y97 HydrophobicContact CD2-CE2 4.12Å; L93-Y97 VanDerWaalsContact O-CD2 3.3Å; L93-Y97 WeakPolarHBondContact O-CD2 3.48Å; L93-Y97 PolarHBondContact O-N 2.83Å; L93-Y97 VanDerWaalsContact O-N 3.09Å
94	A	94.1	Very high	94.8	Very high	9 Å²	9	57.4 Å²	57.4	7%	0.074	30%	0.301	C	S	.	.	H	α-helix	trans	-62.9	-43.8	178	0	0	0	0	0	111.3	A87 E90 G91 A98 V99	A87-A94 HydrophobicContact CB-CB 3.88Å; E90-A94 PolarHBondContact O-N 3.29Å; G91-A94 WeakPolarHBondContact O-CB 3.45Å; G91-A94 PolarHBondContact O-N 2.93Å; G91-A94 VanDerWaalsContact O-N 3.16Å; A94-A98 PolarHBondContact O-N 3.35Å; A94-A98 VanDerWaalsContact O-N 3.14Å; A94-V99 HydrophobicContact CB-CB 4.18Å; A94-V99 PolarHBondContact O-N 3.29Å
95	E	94.4	Very high	94.8	Very high	156 Å²	156	56.6 Å²	56.6	73%	0.729	30%	0.298	S	S	*	.	H	α-helix	trans	-65.4	-50.6	174.9	-174.5	178.1	-173.4	0	0	111.7	G91 E92 Y97 A98	G91-E95 PolarHBondContact O-N 2.96Å; E92-E95 PolarHBondContact O-N 3.36Å; E95-Y97 PolarHBondContact O-N 3.01Å; E95-Y97 VanDerWaalsContact O-N 3.16Å; E95-A98 PolarHBondContact O-N 3.1Å
96	Q	94.8	Very high	94.7	Very high	127 Å²	127	58 Å²	58	59%	0.593	31%	0.305	S	S	*	.	H	α-helix	trans	-53.8	-39.4	-178.9	-179.6	-176.9	-26.4	0	0	112.1	E92 L93	E92-Q96 WeakPolarHBondContact O-CB 3.49Å; E92-Q96 PolarHBondContact O-N 3.28Å; L93-Q96 PolarHBondContact O-N 3.37Å
97	Y	94.3	Very high	94.6	Very high	39 Å²	39	57 Å²	57	15%	0.153	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	11.4	179.5	-66.1	-67.4	0	0	0	113.6	F37 F51 L93 E95 V99 K106 F108 P113	F37-Y97 HydrophobicContact CD1-CE2 4.1Å; F37-Y97 HydrophobicContact CE1-CD2 4.46Å; F37-Y97 AromaticContact CE1-CE2 3.41Å; F37-Y97 HydrophobicContact CE1-CE2 3.41Å; F37-Y97 VanDerWaalsContact CE1-CE2 3.41Å; F37-Y97 AromaticContact CE1-CZ 3.6Å; F37-Y97 VanDerWaalsContact CE1-OH 3.29Å; F37-Y97 WeakPolarHBondContact CE1-OH 3.25Å; F37-Y97 HydrophobicContact CZ-CD2 4.39Å; F37-Y97 AromaticContact CZ-CE2 3.72Å; F37-Y97 HydrophobicContact CZ-CE2 3.72Å; F51-Y97 HydrophobicContact CE1-CD2 4.32Å; F51-Y97 AromaticContact CZ-CD2 3.74Å; F51-Y97 HydrophobicContact CZ-CD2 3.74Å; F51-Y97 HydrophobicContact CZ-CG 4.17Å; L93-Y97 HydrophobicContact CD2-CE2 4.12Å; L93-Y97 VanDerWaalsContact O-CD2 3.3Å; L93-Y97 WeakPolarHBondContact O-CD2 3.48Å; L93-Y97 PolarHBondContact O-N 2.83Å; L93-Y97 VanDerWaalsContact O-N 3.09Å; E95-Y97 PolarHBondContact O-N 3.01Å; E95-Y97 VanDerWaalsContact O-N 3.16Å; Y97-V99 VanDerWaalsContact C-N 3.33Å; Y97-V99 PolarHBondContact O-N 3.46Å; Y97-K106 HydrophobicContact CD1-CD 4.49Å; Y97-K106 HydrophobicContact CG-CD 4.41Å; Y97-K106 WeakPolarHBondContact O-CE 3.05Å; Y97-K106 PolarHBondContact O-NZ 3.15Å; Y97-F108 HydrophobicContact CD1-CE1 4.31Å; Y97-F108 AromaticContact CD1-CZ 3.99Å; Y97-F108 HydrophobicContact CD1-CZ 3.99Å; Y97-F108 HydrophobicContact CD2-CZ 4.47Å; Y97-F108 AromaticContact CE1-CE1 3.55Å; Y97-F108 HydrophobicContact CE1-CE1 3.55Å; Y97-F108 AromaticContact CE1-CZ 3.64Å; Y97-F108 HydrophobicContact CE1-CZ 3.64Å; Y97-F108 HydrophobicContact CE2-CE1 4.5Å; Y97-F108 HydrophobicContact CE2-CZ 4.16Å; Y97-F108 HydrophobicContact CG-CZ 4.4Å; Y97-F108 AromaticContact CZ-CE1 3.68Å; Y97-F108 AromaticContact CZ-CZ 3.74Å; Y97-P113 HydrophobicContact CD1-CG 4.37Å; Y97-P113 HydrophobicContact CE1-CG 4.24Å
98	A	93.6	Very high	94.5	Very high	54 Å²	54	56.8 Å²	56.8	45%	0.446	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	46	177.4	0	0	0	0	0	113.4	A94 E95 R100	A94-A98 PolarHBondContact O-N 3.35Å; A94-A98 VanDerWaalsContact O-N 3.14Å; E95-A98 PolarHBondContact O-N 3.1Å; A98-R100 PolarHBondContact O-N 2.87Å
99	V	93	Very high	94.3	Very high	13 Å²	13	54.5 Å²	54.5	8%	0.079	28%	0.28	C	S	.	.			trans	-72	118.5	175	177.9	0	0	0	0	109	F51 A94 Y97 Y102 T104	F51-V99 HydrophobicContact CB-CG1 4.02Å; F51-V99 HydrophobicContact CB-CG2 3.9Å; F51-V99 HydrophobicContact CD1-CG2 3.76Å; F51-V99 HydrophobicContact CD2-CG2 3.91Å; F51-V99 HydrophobicContact CE1-CG2 4.22Å; F51-V99 HydrophobicContact CE2-CG2 4.37Å; F51-V99 HydrophobicContact CG-CG2 3.58Å; A94-V99 HydrophobicContact CB-CB 4.18Å; A94-V99 PolarHBondContact O-N 3.29Å; Y97-V99 VanDerWaalsContact C-N 3.33Å; Y97-V99 PolarHBondContact O-N 3.46Å; V99-Y102 HydrophobicContact CG1-CD1 4.12Å; V99-Y102 HydrophobicContact CG1-CE1 3.66Å; V99-T104 HydrophobicContact CG1-CG2 4.47Å; V99-T104 HydrophobicContact CG2-CG2 4.27Å
100	R	91.8	Very high	93.8	Very high	224 Å²	224	52.9 Å²	52.9	85%	0.845	27%	0.273	S	S	*	.			trans	-112.3	1.7	-177	-58.9	-58.8	-174.2	-163.5	-0.7	114.1	A98	A98-R100 PolarHBondContact O-N 2.87Å
101	G	92.5	Very high	93.3	Very high	32 Å²	32	53 Å²	53	33%	0.33	28%	0.283	S	S	.	.	S	Bend	trans	-177.9	172.7	-179.2	0	0	0	0	0	112.3	T104	G101-T104 PolarHBondContact O-OG1 3.43Å
102	Y	94.8	Very high	93	Very high	69 Å²	69	53.4 Å²	53.4	27%	0.271	28%	0.28	S	S	.	.	S	Bend	trans	-129.2	140.6	-171.1	-51.7	-59	0	0	0	113.1	A53 W55 A87 V99	A53-Y102 HydrophobicContact CB-CD2 3.58Å; A53-Y102 HydrophobicContact CB-CE2 3.89Å; A53-Y102 HydrophobicContact CB-CG 3.98Å; W55-Y102 HydrophobicContact CH2-CD2 4.34Å; W55-Y102 HydrophobicContact CZ2-CE2 4.47Å; A87-Y102 HydrophobicContact CB-CD1 4.31Å; A87-Y102 HydrophobicContact CB-CE1 3.36Å; V99-Y102 HydrophobicContact CG1-CD1 4.12Å; V99-Y102 HydrophobicContact CG1-CE1 3.66Å
103	P	96.5	Very high	92.9	Very high	12 Å²	12	50 Å²	50	8%	0.078	27%	0.269	C	S	.	.	S	Bend	cis	-72.9	142.1	-11.7	30.4	-33.8	0	0	0	111	E50 F51 L62 L105	E50-P103 HydrophobicContact CG-CB 4.14Å; F51-P103 WeakPolarHBondContact O-CA 3.42Å; L62-P103 HydrophobicContact CD2-CB 3.99Å; L62-P103 HydrophobicContact CD2-CG 3.9Å; P103-L105 HydrophobicContact CB-CD1 4.01Å; P103-L105 HydrophobicContact CG-CD1 4.39Å
104	T	97.5	Very high	92.5	Very high	21 Å²	21	51.8 Å²	51.8	13%	0.129	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.1	165.1	-71	0	0	0	0	108.1	F51 V99 G101 K106	F51-T104 PolarHBondContact N-O 2.67Å; F51-T104 PolarHBondContact O-N 3.06Å; V99-T104 HydrophobicContact CG1-CG2 4.47Å; V99-T104 HydrophobicContact CG2-CG2 4.27Å; G101-T104 PolarHBondContact O-OG1 3.43Å; T104-K106 HydrophobicContact CG2-CG 4.44Å
105	L	98.1	Very high	92.4	Very high	13 Å²	13	57.9 Å²	57.9	7%	0.068	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	133.1	179	-75.1	85.9	0	0	0	110.3	L48 V49 E50 L62 Y66 P103 Y116	L48-L105 HydrophobicContact CD1-CB 4.3Å; L48-L105 HydrophobicContact CD1-CD2 4.33Å; L48-L105 HydrophobicContact CD2-CD2 4.02Å; L48-L105 HydrophobicContact CG-CD2 4.2Å; V49-L105 VanDerWaalsContact O-CA 3.3Å; V49-L105 WeakPolarHBondContact O-CA 3.06Å; E50-L105 HydrophobicContact CB-CG 4.36Å; E50-L105 HydrophobicContact CG-CD1 4.45Å; E50-L105 HydrophobicContact CG-CG 4.43Å; L62-L105 HydrophobicContact CD2-CD1 3.8Å; L62-L105 HydrophobicContact CD2-CD2 4.4Å; Y66-L105 HydrophobicContact CD2-CD2 4.42Å; Y66-L105 HydrophobicContact CE2-CD2 3.77Å; P103-L105 HydrophobicContact CB-CD1 4.01Å; P103-L105 HydrophobicContact CG-CD1 4.39Å; L105-Y116 HydrophobicContact CB-CD1 3.92Å; L105-Y116 HydrophobicContact CB-CG 3.93Å; L105-Y116 HydrophobicContact CD2-CD1 4Å; L105-Y116 HydrophobicContact CD2-CE1 4.36Å; L105-Y116 HydrophobicContact CD2-CG 4.31Å; L105-Y116 HydrophobicContact CG-CD1 4.46Å; L105-Y116 WeakPolarHBondContact O-CB 3.49Å; L105-Y116 PolarHBondContact O-N 3.28Å
106	K	97.1	Very high	92.4	Very high	31 Å²	31	51.4 Å²	51.4	14%	0.135	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.6	175.1	-68.1	-178.8	-173.2	-94.7	0	109.8	V49 F51 Y97 T104 F108 V114	V49-K106 PolarHBondContact N-O 3.4Å; V49-K106 PolarHBondContact O-N 3.45Å; F51-K106 HydrophobicContact CE2-CB 4.35Å; F51-K106 HydrophobicContact CE2-CD 4.11Å; F51-K106 HydrophobicContact CE2-CG 4.4Å; Y97-K106 HydrophobicContact CD1-CD 4.49Å; Y97-K106 HydrophobicContact CG-CD 4.41Å; Y97-K106 WeakPolarHBondContact O-CE 3.05Å; Y97-K106 PolarHBondContact O-NZ 3.15Å; T104-K106 HydrophobicContact CG2-CG 4.44Å; K106-F108 HydrophobicContact CB-CD2 4.43Å; K106-F108 HydrophobicContact CB-CE2 3.79Å; K106-F108 HydrophobicContact CB-CZ 4.44Å; K106-V114 CarbonylContact C-O 3.51Å; K106-V114 WeakPolarHBondContact CA-O 3.47Å
107	F	95.5	Very high	92.1	Very high	5 Å²	5	50.2 Å²	50.2	2%	0.022	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	118.3	175.3	-179.9	-112.5	0	0	0	109.5	F46 L48 R109 P113 V114 W128 V129 K132 T133	F46-F107 HydrophobicContact CB-CE2 4.01Å; F46-F107 HydrophobicContact CB-CZ 3.92Å; F46-F107 HydrophobicContact CD1-CE1 4.46Å; F46-F107 AromaticContact CD1-CZ 3.76Å; F46-F107 HydrophobicContact CD1-CZ 3.76Å; F46-F107 HydrophobicContact CG-CZ 4.23Å; L48-F107 HydrophobicContact CB-CD2 4.23Å; L48-F107 HydrophobicContact CD1-CB 3.91Å; L48-F107 HydrophobicContact CD1-CD2 4.38Å; F107-R109 HydrophobicContact CE1-CB 4.11Å; F107-P113 CarbonylContact O-C 3.6Å; F107-P113 WeakPolarHBondContact O-CA 3.27Å; F107-V114 PolarHBondContact N-O 3.15Å; F107-V114 PolarHBondContact O-N 3.05Å; F107-W128 HydrophobicContact CB-CH2 3.92Å; F107-W128 HydrophobicContact CB-CZ3 3.65Å; F107-W128 HydrophobicContact CD1-CH2 4.43Å; F107-W128 HydrophobicContact CD1-CZ3 4.01Å; F107-W128 HydrophobicContact CD2-CZ3 4.44Å; F107-W128 HydrophobicContact CG-CH2 4.36Å; F107-W128 AromaticContact CG-CZ3 3.77Å; F107-W128 HydrophobicContact CG-CZ3 3.77Å; F107-V129 HydrophobicContact CD2-CG1 4.25Å; F107-V129 HydrophobicContact CE2-CB 4.49Å; F107-V129 HydrophobicContact CE2-CG1 4.39Å; F107-K132 HydrophobicContact CD1-CB 4.31Å; F107-K132 HydrophobicContact CE1-CB 3.95Å; F107-T133 HydrophobicContact CE1-CG2 4.41Å; F107-T133 HydrophobicContact CE2-CG2 4.22Å; F107-T133 HydrophobicContact CZ-CG2 3.53Å
108	F	93.4	Very high	91.9	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.009	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	122.6	176.1	-67.8	-102.8	0	0	0	109.2	F37 I41 F46 V47 V49 Y97 K106 S112 P113	F37-F108 HydrophobicContact CE1-CE1 4.01Å; F37-F108 AromaticContact CE1-CZ 3.89Å; F37-F108 HydrophobicContact CE1-CZ 3.89Å; F37-F108 HydrophobicContact CZ-CE1 4.11Å; F37-F108 AromaticContact CZ-CE2 3.88Å; F37-F108 HydrophobicContact CZ-CE2 3.88Å; F37-F108 AromaticContact CZ-CZ 3.53Å; F37-F108 HydrophobicContact CZ-CZ 3.53Å; I41-F108 HydrophobicContact CD1-CB 3.87Å; I41-F108 HydrophobicContact CD1-CD1 3.96Å; I41-F108 HydrophobicContact CD1-CD2 3.9Å; I41-F108 HydrophobicContact CD1-CE1 4.48Å; I41-F108 HydrophobicContact CD1-CE2 4.46Å; I41-F108 HydrophobicContact CD1-CG 3.64Å; I41-F108 HydrophobicContact CG1-CD1 4.19Å; I41-F108 HydrophobicContact CG1-CE1 4.48Å; I41-F108 HydrophobicContact CG1-CG 4.37Å; I41-F108 HydrophobicContact CG2-CB 4.29Å; I41-F108 HydrophobicContact CG2-CD1 3.88Å; I41-F108 HydrophobicContact CG2-CG 4.35Å; F46-F108 WeakPolarHBondContact CA-O 3.47Å; V47-F108 HydrophobicContact CB-CB 4.35Å; V47-F108 PolarHBondContact N-O 3.03Å; V47-F108 PolarHBondContact O-N 3.02Å; V49-F108 HydrophobicContact CB-CD2 4.24Å; V49-F108 HydrophobicContact CB-CE2 3.91Å; V49-F108 HydrophobicContact CG2-CD2 3.53Å; V49-F108 HydrophobicContact CG2-CE2 3.51Å; Y97-F108 HydrophobicContact CD1-CE1 4.31Å; Y97-F108 AromaticContact CD1-CZ 3.99Å; Y97-F108 HydrophobicContact CD1-CZ 3.99Å; Y97-F108 HydrophobicContact CD2-CZ 4.47Å; Y97-F108 AromaticContact CE1-CE1 3.55Å; Y97-F108 HydrophobicContact CE1-CE1 3.55Å; Y97-F108 AromaticContact CE1-CZ 3.64Å; Y97-F108 HydrophobicContact CE1-CZ 3.64Å; Y97-F108 HydrophobicContact CE2-CE1 4.5Å; Y97-F108 HydrophobicContact CE2-CZ 4.16Å; Y97-F108 HydrophobicContact CG-CZ 4.4Å; Y97-F108 AromaticContact CZ-CE1 3.68Å; Y97-F108 AromaticContact CZ-CZ 3.74Å; K106-F108 HydrophobicContact CB-CD2 4.43Å; K106-F108 HydrophobicContact CB-CE2 3.79Å; K106-F108 HydrophobicContact CB-CZ 4.44Å; F108-S112 WeakPolarHBondContact CA-O 3.35Å; F108-P113 HydrophobicContact CD1-CB 4.02Å; F108-P113 HydrophobicContact CE1-CB 3.72Å; F108-P113 HydrophobicContact CE1-CG 4.29Å; F108-P113 HydrophobicContact CE2-CB 4.44Å; F108-P113 HydrophobicContact CZ-CB 3.94Å
109	R	87	Confident	91.8	Very high	23 Å²	23	48.5 Å²	48.5	9%	0.087	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	113.4	168.6	178.8	175.6	-164.1	159	13.2	108.7	E45 F46 F107 G111 S112 K132 G134 N177	E45-R109 CarbonylContact O-C 3.57Å; E45-R109 WeakPolarHBondContact O-CA 3.4Å; F46-R109 HydrophobicContact CD1-CB 4.39Å; F46-R109 HydrophobicContact CD1-CG 4.03Å; F46-R109 HydrophobicContact CE1-CG 3.77Å; F107-R109 HydrophobicContact CE1-CB 4.11Å; R109-G111 PolarHBondContact O-N 3.16Å; R109-G111 VanDerWaalsContact O-N 3.08Å; R109-S112 PolarHBondContact N-O 3.07Å; R109-S112 PolarHBondContact O-N 3.05Å; R109-K132 PolarHBondContact NH1-O 2.86Å; R109-G134 PolarHBondContact NH2-O 2.94Å; R109-G134 VanDerWaalsContact NH2-O 3.14Å; R109-N177 PolarHBondContact NE-OD1 3.36Å; R109-N177 PolarHBondContact NH2-OD1 3.31Å
110	S	83.7	Confident	91.9	Very high	66 Å²	66	53.8 Å²	53.8	46%	0.462	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	38.5	-179.2	-48.9	0	0	0	0	113.1	E45	E45-S110 PolarHBondContact O-N 3.47Å
111	G	86.4	Confident	92.1	Very high	35 Å²	35	49 Å²	49	36%	0.361	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.5	-19.2	-178.1	0	0	0	0	0	116.5	R109 P113	R109-G111 PolarHBondContact O-N 3.16Å; R109-G111 VanDerWaalsContact O-N 3.08Å; G111-P113 WeakPolarHBondContact O-CD 3.36Å
112	S	85.5	Confident	92.4	Very high	49 Å²	49	47.5 Å²	47.5	34%	0.343	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	121	179.8	-67.7	0	0	0	0	111.4	F108 R109	F108-S112 WeakPolarHBondContact CA-O 3.35Å; R109-S112 PolarHBondContact N-O 3.07Å; R109-S112 PolarHBondContact O-N 3.05Å
113	P	90.5	Very high	92.3	Very high	63 Å²	63	47.2 Å²	47.2	41%	0.409	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	138.6	178.6	31.8	-33.1	0	0	0	112.4	Y97 F107 F108 G111	Y97-P113 HydrophobicContact CD1-CG 4.37Å; Y97-P113 HydrophobicContact CE1-CG 4.24Å; F107-P113 CarbonylContact O-C 3.6Å; F107-P113 WeakPolarHBondContact O-CA 3.27Å; F108-P113 HydrophobicContact CD1-CB 4.02Å; F108-P113 HydrophobicContact CE1-CB 3.72Å; F108-P113 HydrophobicContact CE1-CG 4.29Å; F108-P113 HydrophobicContact CE2-CB 4.44Å; F108-P113 HydrophobicContact CZ-CB 3.94Å; G111-P113 WeakPolarHBondContact O-CD 3.36Å
114	V	88.3	Confident	92.1	Very high	45 Å²	45	49.8 Å²	49.8	27%	0.273	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139.5	168.1	-179.9	0	0	0	0	108.6	K106 F107 Y116 D180	K106-V114 CarbonylContact C-O 3.51Å; K106-V114 WeakPolarHBondContact CA-O 3.47Å; F107-V114 PolarHBondContact N-O 3.15Å; F107-V114 PolarHBondContact O-N 3.05Å; V114-Y116 PolarHBondContact O-N 3.28Å; V114-D180 WeakPolarHBondContact CG2-OD2 3.42Å
115	E	91.3	Very high	92.1	Very high	137 Å²	137	48.8 Å²	48.8	64%	0.64	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	131.9	176.1	-171.1	165.5	-164.8	0	0	111.2
116	Y	94	Very high	92	Very high	20 Å²	20	48.9 Å²	48.9	8%	0.078	29%	0.291	C	S	.	.			trans	-81.8	125.5	175.4	175.3	-86.7	0	0	0	110.1	L48 L105 V114 G118 G119 I125 W128	L48-Y116 HydrophobicContact CD1-CD2 3.7Å; L48-Y116 HydrophobicContact CD1-CG 4Å; L48-Y116 HydrophobicContact CD2-CD2 4.13Å; L48-Y116 HydrophobicContact CD2-CE2 4.22Å; L105-Y116 HydrophobicContact CB-CD1 3.92Å; L105-Y116 HydrophobicContact CB-CG 3.93Å; L105-Y116 HydrophobicContact CD2-CD1 4Å; L105-Y116 HydrophobicContact CD2-CE1 4.36Å; L105-Y116 HydrophobicContact CD2-CG 4.31Å; L105-Y116 HydrophobicContact CG-CD1 4.46Å; L105-Y116 WeakPolarHBondContact O-CB 3.49Å; L105-Y116 PolarHBondContact O-N 3.28Å; V114-Y116 PolarHBondContact O-N 3.28Å; Y116-G118 VanDerWaalsContact CE1-C 3.42Å; Y116-G118 VanDerWaalsContact CE1-CA 3.48Å; Y116-G118 VanDerWaalsContact CE1-N 3.27Å; Y116-G118 VanDerWaalsContact CE1-O 3.29Å; Y116-G118 WeakPolarHBondContact CE1-O 3.23Å; Y116-G118 VanDerWaalsContact CZ-CA 3.42Å; Y116-G118 VanDerWaalsContact OH-C 3.3Å; Y116-G118 VanDerWaalsContact OH-CA 3.28Å; Y116-G118 WeakPolarHBondContact OH-CA 3.48Å; Y116-G119 PolarHBondContact OH-N 3.21Å; Y116-G119 PolarHBondContact OH-O 3.29Å; Y116-I125 WeakPolarHBondContact OH-CA 3.1Å; Y116-W128 AromaticContact CD2-CD2 3.57Å; Y116-W128 HydrophobicContact CD2-CD2 3.57Å; Y116-W128 AromaticContact CD2-CE2 3.99Å; Y116-W128 AromaticContact CD2-CE3 3.37Å; Y116-W128 HydrophobicContact CD2-CE3 3.37Å; Y116-W128 HydrophobicContact CD2-CG 4.18Å; Y116-W128 HydrophobicContact CD2-CH2 4.07Å; Y116-W128 HydrophobicContact CD2-CZ2 4.23Å; Y116-W128 AromaticContact CD2-CZ3 3.64Å; Y116-W128 HydrophobicContact CD2-CZ3 3.64Å; Y116-W128 HydrophobicContact CE2-CB 3.78Å; Y116-W128 AromaticContact CE2-CD2 3.51Å; Y116-W128 HydrophobicContact CE2-CD2 3.51Å; Y116-W128 AromaticContact CE2-CE3 3.54Å; Y116-W128 HydrophobicContact CE2-CE3 3.54Å; Y116-W128 AromaticContact CE2-CG 3.63Å; Y116-W128 HydrophobicContact CE2-CG 3.63Å; Y116-W128 HydrophobicContact CE2-CZ3 4.29Å
117	S	89.5	Confident	91.6	Very high	102 Å²	102	50.3 Å²	50.3	71%	0.713	31%	0.309	S	S	*	.			trans	-120.7	12	-176.9	58.1	0	0	0	0	114	W128	S117-W128 PolarHBondContact OG-NE1 3.41Å
118	G	90.1	Very high	91.5	Very high	27 Å²	27	51.8 Å²	51.8	28%	0.278	32%	0.315	S	S	.	.	S	Bend	trans	-81.3	-177	179.3	0	0	0	0	0	114.1	Y116	Y116-G118 VanDerWaalsContact CE1-C 3.42Å; Y116-G118 VanDerWaalsContact CE1-CA 3.48Å; Y116-G118 VanDerWaalsContact CE1-N 3.27Å; Y116-G118 VanDerWaalsContact CE1-O 3.29Å; Y116-G118 WeakPolarHBondContact CE1-O 3.23Å; Y116-G118 VanDerWaalsContact CZ-CA 3.42Å; Y116-G118 VanDerWaalsContact OH-C 3.3Å; Y116-G118 VanDerWaalsContact OH-CA 3.28Å; Y116-G118 WeakPolarHBondContact OH-CA 3.48Å
119	G	91.8	Very high	91.5	Very high	30 Å²	30	51.7 Å²	51.7	31%	0.309	31%	0.314	S	S	.	.			trans	-74	166.6	177	0	0	0	0	0	113.4	Y116	Y116-G119 PolarHBondContact OH-N 3.21Å; Y116-G119 PolarHBondContact OH-O 3.29Å
120	R	95.2	Very high	91.5	Very high	123 Å²	123	54 Å²	54	46%	0.464	33%	0.331	S	S	.	.	S	Bend	trans	-96.5	2	-175.9	-69.2	-177.7	-179	171.9	-1.2	114.3	L62 E65	L62-R120 HydrophobicContact CD1-CB 4.05Å; L62-R120 HydrophobicContact CD1-CG 4.38Å; L62-R120 WeakPolarHBondContact CD1-O 3.24Å; E65-R120 WeakPolarHBondContact CB-O 3.42Å
121	Q	96.2	Very high	91.4	Very high	123 Å²	123	59.4 Å²	59.4	58%	0.575	35%	0.346	S	S	*	.	S	Bend	trans	-85.8	152	173.7	-57.9	-174.9	-10.3	0	0	110.2	A123 D124 I125	Q121-A123 PolarHBondContact O-N 2.73Å; Q121-A123 VanDerWaalsContact O-N 3.15Å; Q121-D124 WeakPolarHBondContact CB-OD2 3.37Å; Q121-D124 WeakPolarHBondContact O-CB 3.36Å; Q121-D124 PolarHBondContact O-N 2.9Å; Q121-I125 WeakPolarHBondContact O-CG1 3.31Å; Q121-I125 PolarHBondContact O-N 3.18Å
122	A	97.2	Very high	91.3	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.008	35%	0.349	C	S	.	.	H	α-helix	trans	-54.3	-39.7	-178.4	0	0	0	0	0	112.6	E65 K68 A69 I125 I126	E65-A122 WeakPolarHBondContact O-CB 3.5Å; E65-A122 WeakPolarHBondContact OE2-CB 3.46Å; E65-A122 PolarHBondContact OE2-N 3.37Å; K68-A122 HydrophobicContact CB-CB 4.1Å; K68-A122 HydrophobicContact CD-CB 3.85Å; K68-A122 HydrophobicContact CG-CB 3.87Å; A69-A122 HydrophobicContact CB-CB 4.12Å; A122-I125 PolarHBondContact O-N 3.49Å; A122-I126 WeakPolarHBondContact O-CB 3.25Å; A122-I126 WeakPolarHBondContact O-CD1 3.3Å; A122-I126 VanDerWaalsContact O-CG1 3.23Å; A122-I126 WeakPolarHBondContact O-CG1 3.26Å; A122-I126 PolarHBondContact O-N 3.32Å
123	A	94.4	Very high	91.2	Very high	64 Å²	64	61.4 Å²	61.4	53%	0.529	34%	0.341	S	S	.	.	H	α-helix	trans	-64.8	-39.7	178	0	0	0	0	0	112.6	Q121 A127	Q121-A123 PolarHBondContact O-N 2.73Å; Q121-A123 VanDerWaalsContact O-N 3.15Å; A123-A127 VanDerWaalsContact O-CB 3.28Å; A123-A127 WeakPolarHBondContact O-CB 3.44Å; A123-A127 PolarHBondContact O-N 3.18Å
124	D	92.5	Very high	90.7	Very high	66 Å²	66	59.7 Å²	59.7	35%	0.353	34%	0.335	S	S	.	.	H	α-helix	trans	-68.4	-42.6	178.6	-59.6	-35.7	0	0	0	111.1	Q121 A127 W128	Q121-D124 WeakPolarHBondContact CB-OD2 3.37Å; Q121-D124 WeakPolarHBondContact O-CB 3.36Å; Q121-D124 PolarHBondContact O-N 2.9Å; D124-A127 PolarHBondContact O-N 2.71Å; D124-W128 VanDerWaalsContact O-CB 3.3Å; D124-W128 WeakPolarHBondContact O-CB 3.45Å; D124-W128 PolarHBondContact O-N 2.81Å
125	I	97.4	Very high	90.4	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-57.9	-55.3	175.9	-66.7	162.2	0	0	0	109.7	L48 L62 Y66 A69 L82 Y116 Q121 A122 A127 W128 V129	L48-I125 HydrophobicContact CD2-CG2 3.66Å; L62-I125 HydrophobicContact CD1-CD1 4.05Å; Y66-I125 HydrophobicContact CD2-CD1 3.98Å; A69-I125 HydrophobicContact CB-CB 4.22Å; A69-I125 HydrophobicContact CB-CD1 4.46Å; A69-I125 HydrophobicContact CB-CG2 3.98Å; L82-I125 HydrophobicContact CD2-CG2 4.33Å; Y116-I125 WeakPolarHBondContact OH-CA 3.1Å; Q121-I125 WeakPolarHBondContact O-CG1 3.31Å; Q121-I125 PolarHBondContact O-N 3.18Å; A122-I125 PolarHBondContact O-N 3.49Å; I125-A127 VanDerWaalsContact C-N 3.34Å; I125-A127 PolarHBondContact O-N 3.26Å; I125-W128 PolarHBondContact O-N 2.76Å; I125-V129 WeakPolarHBondContact O-CG2 3.47Å; I125-V129 PolarHBondContact O-N 2.98Å
126	I	95.1	Very high	90.1	Very high	14 Å²	14	57.4 Å²	57.4	7%	0.072	33%	0.333	C	S	.	.	H	α-helix	trans	-58.4	-46.2	-179.3	-68.3	166.3	0	0	0	111.1	A69 Q72 L73 A122 W128 V129 T130	A69-I126 HydrophobicContact CB-CD1 4.43Å; A69-I126 HydrophobicContact CB-CG1 4.13Å; Q72-I126 HydrophobicContact CB-CD1 3.68Å; Q72-I126 HydrophobicContact CG-CD1 4.42Å; L73-I126 HydrophobicContact CD1-CG1 4.47Å; L73-I126 HydrophobicContact CD2-CG1 4.35Å; L73-I126 HydrophobicContact CD2-CG2 4.33Å; L73-I126 HydrophobicContact CG-CG1 4.15Å; A122-I126 WeakPolarHBondContact O-CB 3.25Å; A122-I126 WeakPolarHBondContact O-CD1 3.3Å; A122-I126 VanDerWaalsContact O-CG1 3.23Å; A122-I126 WeakPolarHBondContact O-CG1 3.26Å; A122-I126 PolarHBondContact O-N 3.32Å; I126-W128 PolarHBondContact O-N 3.3Å; I126-V129 WeakPolarHBondContact O-CG2 3.44Å; I126-T130 WeakPolarHBondContact O-CB 3.4Å; I126-T130 PolarHBondContact O-N 2.79Å; I126-T130 PolarHBondContact O-OG1 3.43Å
127	A	89.3	Confident	90.1	Very high	61 Å²	61	56.7 Å²	56.7	50%	0.504	33%	0.331	S	S	.	.	H	α-helix	trans	-62.4	-43.1	-179.8	0	0	0	0	0	111.8	A123 D124 I125 K131	A123-A127 VanDerWaalsContact O-CB 3.28Å; A123-A127 WeakPolarHBondContact O-CB 3.44Å; A123-A127 PolarHBondContact O-N 3.18Å; D124-A127 PolarHBondContact O-N 2.71Å; I125-A127 VanDerWaalsContact C-N 3.34Å; I125-A127 PolarHBondContact O-N 3.26Å; A127-K131 VanDerWaalsContact O-CB 3.3Å; A127-K131 WeakPolarHBondContact O-CB 3.14Å; A127-K131 PolarHBondContact O-N 2.86Å
128	W	93	Very high	90.3	Very high	37 Å²	37	56 Å²	56	14%	0.14	32%	0.316	C	S	.	.	H	α-helix	trans	-67.4	-49.2	-179.9	-169.8	105.6	0	0	0	111.7	F107 Y116 S117 D124 I125 I126 K131 K132	F107-W128 HydrophobicContact CB-CH2 3.92Å; F107-W128 HydrophobicContact CB-CZ3 3.65Å; F107-W128 HydrophobicContact CD1-CH2 4.43Å; F107-W128 HydrophobicContact CD1-CZ3 4.01Å; F107-W128 HydrophobicContact CD2-CZ3 4.44Å; F107-W128 HydrophobicContact CG-CH2 4.36Å; F107-W128 AromaticContact CG-CZ3 3.77Å; F107-W128 HydrophobicContact CG-CZ3 3.77Å; Y116-W128 AromaticContact CD2-CD2 3.57Å; Y116-W128 HydrophobicContact CD2-CD2 3.57Å; Y116-W128 AromaticContact CD2-CE2 3.99Å; Y116-W128 AromaticContact CD2-CE3 3.37Å; Y116-W128 HydrophobicContact CD2-CE3 3.37Å; Y116-W128 HydrophobicContact CD2-CG 4.18Å; Y116-W128 HydrophobicContact CD2-CH2 4.07Å; Y116-W128 HydrophobicContact CD2-CZ2 4.23Å; Y116-W128 AromaticContact CD2-CZ3 3.64Å; Y116-W128 HydrophobicContact CD2-CZ3 3.64Å; Y116-W128 HydrophobicContact CE2-CB 3.78Å; Y116-W128 AromaticContact CE2-CD2 3.51Å; Y116-W128 HydrophobicContact CE2-CD2 3.51Å; Y116-W128 AromaticContact CE2-CE3 3.54Å; Y116-W128 HydrophobicContact CE2-CE3 3.54Å; Y116-W128 AromaticContact CE2-CG 3.63Å; Y116-W128 HydrophobicContact CE2-CG 3.63Å; Y116-W128 HydrophobicContact CE2-CZ3 4.29Å; S117-W128 PolarHBondContact OG-NE1 3.41Å; D124-W128 VanDerWaalsContact O-CB 3.3Å; D124-W128 WeakPolarHBondContact O-CB 3.45Å; D124-W128 PolarHBondContact O-N 2.81Å; I125-W128 PolarHBondContact O-N 2.76Å; I126-W128 PolarHBondContact O-N 3.3Å; W128-K131 PolarHBondContact O-N 3.05Å; W128-K132 HydrophobicContact CD2-CG 4.1Å; W128-K132 HydrophobicContact CE3-CB 4.39Å; W128-K132 HydrophobicContact CE3-CG 3.78Å; W128-K132 HydrophobicContact CH2-CD 4.4Å; W128-K132 HydrophobicContact CH2-CG 3.81Å; W128-K132 HydrophobicContact CZ2-CG 4.12Å; W128-K132 HydrophobicContact CZ3-CB 4.19Å; W128-K132 HydrophobicContact CZ3-CG 3.63Å; W128-K132 WeakPolarHBondContact O-CG 3.27Å; W128-K132 PolarHBondContact O-N 2.63Å
129	V	93.1	Very high	90.6	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-65.9	-42	179.8	-61.3	0	0	0	0	110.8	L48 L73 I80 F107 I125 I126 K131 K132 T133	L48-V129 HydrophobicContact CB-CG1 4.33Å; L48-V129 HydrophobicContact CD2-CG1 3.89Å; L73-V129 HydrophobicContact CD1-CG2 4.32Å; I80-V129 HydrophobicContact CD1-CB 4.12Å; I80-V129 HydrophobicContact CD1-CG2 3.74Å; I80-V129 HydrophobicContact CG2-CB 4.18Å; I80-V129 HydrophobicContact CG2-CG2 3.99Å; F107-V129 HydrophobicContact CD2-CG1 4.25Å; F107-V129 HydrophobicContact CE2-CB 4.49Å; F107-V129 HydrophobicContact CE2-CG1 4.39Å; I125-V129 WeakPolarHBondContact O-CG2 3.47Å; I125-V129 PolarHBondContact O-N 2.98Å; I126-V129 WeakPolarHBondContact O-CG2 3.44Å; V129-K131 VanDerWaalsContact C-N 3.28Å; V129-K131 PolarHBondContact O-N 3.39Å; V129-K132 CarbonylContact O-C 3.56Å; V129-K132 WeakPolarHBondContact O-CA 3.29Å; V129-K132 PolarHBondContact O-N 3.16Å; V129-T133 WeakPolarHBondContact O-CB 3.5Å; V129-T133 WeakPolarHBondContact O-CG2 3.34Å; V129-T133 PolarHBondContact O-N 3.23Å; V129-T133 PolarHBondContact O-OG1 3.06Å; V129-T133 VanDerWaalsContact O-OG1 3.11Å
130	T	87.9	Confident	90.9	Very high	72 Å²	72	57.2 Å²	57.2	44%	0.442	31%	0.308	S	S	.	.	H	α-helix	trans	-61.3	-38.5	177.7	-58.4	0	0	0	0	111.7	I126 K132 T133 G134	I126-T130 WeakPolarHBondContact O-CB 3.4Å; I126-T130 PolarHBondContact O-N 2.79Å; I126-T130 PolarHBondContact O-OG1 3.43Å; T130-K132 VanDerWaalsContact C-N 3.33Å; T130-T133 WeakPolarHBondContact CA-OG1 3.45Å; T130-T133 PolarHBondContact O-N 2.79Å; T130-T133 PolarHBondContact O-OG1 3.27Å; T130-G134 PolarHBondContact O-N 3.14Å
131	K	81.5	Confident	91	Very high	179 Å²	179	55.1 Å²	55.1	78%	0.778	31%	0.309	S	S	*	.	H	α-helix	trans	-65.3	-36.8	174.6	-178.1	178.5	178.1	-178.7	0	111.8	A127 W128 V129	A127-K131 VanDerWaalsContact O-CB 3.3Å; A127-K131 WeakPolarHBondContact O-CB 3.14Å; A127-K131 PolarHBondContact O-N 2.86Å; W128-K131 PolarHBondContact O-N 3.05Å; V129-K131 VanDerWaalsContact C-N 3.28Å; V129-K131 PolarHBondContact O-N 3.39Å
132	K	84	Confident	91.1	Very high	97 Å²	97	51.1 Å²	51.1	42%	0.422	30%	0.295	S	S	.	.	H	α-helix	trans	-79	-23.4	179.6	-72.2	-67.6	-169.3	171.3	0	113.7	F107 R109 W128 V129 T130 G134	F107-K132 HydrophobicContact CD1-CB 4.31Å; F107-K132 HydrophobicContact CE1-CB 3.95Å; R109-K132 PolarHBondContact NH1-O 2.86Å; W128-K132 HydrophobicContact CD2-CG 4.1Å; W128-K132 HydrophobicContact CE3-CB 4.39Å; W128-K132 HydrophobicContact CE3-CG 3.78Å; W128-K132 HydrophobicContact CH2-CD 4.4Å; W128-K132 HydrophobicContact CH2-CG 3.81Å; W128-K132 HydrophobicContact CZ2-CG 4.12Å; W128-K132 HydrophobicContact CZ3-CB 4.19Å; W128-K132 HydrophobicContact CZ3-CG 3.63Å; W128-K132 WeakPolarHBondContact O-CG 3.27Å; W128-K132 PolarHBondContact O-N 2.63Å; V129-K132 CarbonylContact O-C 3.56Å; V129-K132 WeakPolarHBondContact O-CA 3.29Å; V129-K132 PolarHBondContact O-N 3.16Å; T130-K132 VanDerWaalsContact C-N 3.33Å; K132-G134 VanDerWaalsContact C-N 3.33Å
133	T	83.4	Confident	91.1	Very high	28 Å²	28	53.1 Å²	53.1	17%	0.172	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	15.2	178	64.1	0	0	0	0	112.8	F46 I80 F107 V129 T130	F46-T133 HydrophobicContact CB-CG2 3.91Å; F46-T133 HydrophobicContact CD1-CG2 3.55Å; F46-T133 HydrophobicContact CD2-CG2 3.9Å; F46-T133 HydrophobicContact CE1-CG2 3.91Å; F46-T133 HydrophobicContact CE2-CG2 4.28Å; F46-T133 HydrophobicContact CG-CG2 3.51Å; F46-T133 HydrophobicContact CZ-CG2 4.27Å; I80-T133 HydrophobicContact CD1-CG2 3.65Å; I80-T133 WeakPolarHBondContact CD1-OG1 3.28Å; I80-T133 HydrophobicContact CG1-CG2 3.81Å; F107-T133 HydrophobicContact CE1-CG2 4.41Å; F107-T133 HydrophobicContact CE2-CG2 4.22Å; F107-T133 HydrophobicContact CZ-CG2 3.53Å; V129-T133 WeakPolarHBondContact O-CB 3.5Å; V129-T133 WeakPolarHBondContact O-CG2 3.34Å; V129-T133 PolarHBondContact O-N 3.23Å; V129-T133 PolarHBondContact O-OG1 3.06Å; V129-T133 VanDerWaalsContact O-OG1 3.11Å; T130-T133 WeakPolarHBondContact CA-OG1 3.45Å; T130-T133 PolarHBondContact O-N 2.79Å; T130-T133 PolarHBondContact O-OG1 3.27Å
134	G	79.2	Confident	91.3	Very high	27 Å²	27	53.1 Å²	53.1	28%	0.278	31%	0.307	S	S	.	.	S	Bend	trans	-58.4	166.2	168.8	0	0	0	0	0	111.6	R109 T130 K132	R109-G134 PolarHBondContact NH2-O 2.94Å; R109-G134 VanDerWaalsContact NH2-O 3.14Å; T130-G134 PolarHBondContact O-N 3.14Å; K132-G134 VanDerWaalsContact C-N 3.33Å
135	P	82.9	Confident	91.5	Very high	103 Å²	103	52.5 Å²	52.5	67%	0.669	30%	0.304	S	S	*	.			trans	-55.6	135	-179.1	26.3	-34.8	0	0	0	109.4	A137	P135-A137 PolarHBondContact O-N 3.43Å; P135-A137 VanDerWaalsContact O-N 3.16Å
136	P	85.6	Confident	91.6	Very high	31 Å²	31	52.5 Å²	52.5	20%	0.201	30%	0.304	C	S	.	.	S	Bend	trans	-60.7	-26.7	-176.5	21.3	-32	0	0	0	113.2	T173 A176 N177	P136-T173 HydrophobicContact CG-CG2 3.44Å; P136-T173 VanDerWaalsContact CG-CG2 3.44Å; P136-A176 HydrophobicContact CB-CB 3.85Å; P136-N177 HydrophobicContact CB-CB 4.24Å; P136-N177 VanDerWaalsContact CB-OD1 3.24Å; P136-N177 WeakPolarHBondContact CB-OD1 3.4Å
137	A	93.1	Very high	91.7	Very high	6 Å²	6	56 Å²	56	5%	0.05	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.7	170.9	0	0	0	0	0	109.9	P135 D139 F172 F184 V186	P135-A137 PolarHBondContact O-N 3.43Å; P135-A137 VanDerWaalsContact O-N 3.16Å; A137-D139 PolarHBondContact O-N 2.95Å; A137-F172 HydrophobicContact CB-CE1 3.98Å; A137-F184 CarbonylContact C-O 3.55Å; A137-F184 VanDerWaalsContact CA-O 3.27Å; A137-F184 WeakPolarHBondContact CA-O 3.46Å; A137-F184 HydrophobicContact CB-CB 3.86Å; A137-V186 HydrophobicContact CB-CB 3.95Å; A137-V186 HydrophobicContact CB-CG1 4Å
138	K	94.1	Very high	92.1	Very high	88 Å²	88	57 Å²	57	38%	0.383	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	124.6	172.8	-176.1	-177.3	178.7	-172.2	0	109.1	L140 F149 F184 G185 V186	K138-L140 HydrophobicContact CB-CD2 4.43Å; K138-L140 HydrophobicContact CD-CD2 3.96Å; K138-L140 HydrophobicContact CG-CD2 4.07Å; K138-L140 PolarHBondContact O-N 2.86Å; K138-F149 HydrophobicContact CB-CD2 4.41Å; K138-F149 HydrophobicContact CB-CE2 4.29Å; K138-F149 HydrophobicContact CD-CD2 3.77Å; K138-F149 HydrophobicContact CD-CE2 4.41Å; K138-F149 HydrophobicContact CD-CG 4.47Å; K138-F184 PolarHBondContact N-O 2.79Å; K138-G185 CarbonylContact O-C 3.54Å; K138-G185 VanDerWaalsContact O-CA 3.29Å; K138-G185 WeakPolarHBondContact O-CA 3.36Å; K138-V186 PolarHBondContact O-N 2.72Å
139	D	96.2	Very high	92.3	Very high	81 Å²	81	55.8 Å²	55.8	43%	0.433	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	117.9	172.3	-173.7	14.1	0	0	0	110.3	A137 T141	A137-D139 PolarHBondContact O-N 2.95Å; D139-T141 WeakPolarHBondContact OD2-CG2 3.13Å
140	L	97.5	Very high	92.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.32	C	S	.	.			trans	-101.4	85.3	-177.1	-55.9	178.3	0	0	0	108.7	K138 S142 D145 A146 F149 I158 V186 S187	K138-L140 HydrophobicContact CB-CD2 4.43Å; K138-L140 HydrophobicContact CD-CD2 3.96Å; K138-L140 HydrophobicContact CG-CD2 4.07Å; K138-L140 PolarHBondContact O-N 2.86Å; L140-S142 VanDerWaalsContact C-N 3.32Å; L140-S142 PolarHBondContact O-N 3.06Å; L140-D145 HydrophobicContact CD2-CB 4.41Å; L140-A146 HydrophobicContact CB-CB 4.31Å; L140-A146 HydrophobicContact CD1-CB 4.03Å; L140-F149 HydrophobicContact CD1-CD1 3.94Å; L140-F149 HydrophobicContact CD1-CE1 4.5Å; L140-F149 HydrophobicContact CD1-CG 4.42Å; L140-F149 HydrophobicContact CD2-CB 3.69Å; L140-F149 HydrophobicContact CD2-CD1 4.23Å; L140-F149 HydrophobicContact CD2-CD2 4.43Å; L140-F149 HydrophobicContact CD2-CG 3.88Å; L140-I158 HydrophobicContact CD1-CD1 3.64Å; L140-I158 HydrophobicContact CD1-CG1 4Å; L140-I158 HydrophobicContact CD1-CG2 3.99Å; L140-V186 PolarHBondContact N-O 2.76Å; L140-S187 WeakPolarHBondContact O-CB 3.24Å; L140-S187 PolarHBondContact O-OG 3.41Å
141	T	97	Very high	92.9	Very high	80 Å²	80	62.1 Å²	62.1	49%	0.491	33%	0.333	S	S	.	.			trans	-79.3	-11.6	-171.6	67.3	0	0	0	0	114.5	D139 D145 N189	D139-T141 WeakPolarHBondContact OD2-CG2 3.13Å; T141-D145 PolarHBondContact OG1-OD2 3.4Å; T141-N189 PolarHBondContact O-ND2 3.16Å
142	S	98.1	Very high	93.5	Very high	39 Å²	39	58.3 Å²	58.3	27%	0.273	32%	0.321	S	S	.	.	S	Bend	trans	-147.9	162.4	-179.7	71.8	0	0	0	0	112.1	L140 A144 D145 A146 V192	L140-S142 VanDerWaalsContact C-N 3.32Å; L140-S142 PolarHBondContact O-N 3.06Å; S142-A144 PolarHBondContact O-N 2.92Å; S142-D145 PolarHBondContact N-OD2 3.25Å; S142-D145 PolarHBondContact O-N 2.87Å; S142-D145 VanDerWaalsContact O-N 3.17Å; S142-D145 PolarHBondContact OG-N 3.08Å; S142-D145 PolarHBondContact OG-OD2 3.33Å; S142-A146 PolarHBondContact O-N 3.31Å; S142-A146 VanDerWaalsContact O-N 3.11Å; S142-V192 WeakPolarHBondContact O-CG2 3.34Å
143	V	98.1	Very high	94	Very high	42 Å²	42	55.8 Å²	55.8	26%	0.255	31%	0.312	S	S	.	.	H	α-helix	trans	-59.1	-37.4	174.8	173.6	0	0	0	0	111.3	A146 E147 D191 V192 K195	V143-A146 PolarHBondContact O-N 2.93Å; V143-E147 HydrophobicContact CG1-CG 4.17Å; V143-E147 WeakPolarHBondContact O-CB 3.31Å; V143-E147 WeakPolarHBondContact O-CG 3.35Å; V143-E147 PolarHBondContact O-N 2.91Å; V143-D191 HydrophobicContact CG2-CB 4.02Å; V143-V192 HydrophobicContact CG2-CG2 4.24Å; V143-K195 HydrophobicContact CG1-CD 4.27Å; V143-K195 HydrophobicContact CG1-CG 4.05Å; V143-K195 HydrophobicContact CG2-CB 4.22Å
144	A	98.2	Very high	94.4	Very high	64 Å²	64	61.5 Å²	61.5	53%	0.529	34%	0.337	S	S	.	.	H	α-helix	trans	-64.4	-40.4	177.3	0	0	0	0	0	112.1	S142 A146 E147 Q148	S142-A144 PolarHBondContact O-N 2.92Å; A144-A146 VanDerWaalsContact C-N 3.34Å; A144-A146 PolarHBondContact O-N 2.93Å; A144-E147 PolarHBondContact O-N 3.19Å; A144-Q148 VanDerWaalsContact O-CB 3.27Å; A144-Q148 WeakPolarHBondContact O-CB 3.49Å; A144-Q148 PolarHBondContact O-N 3.08Å
145	D	97.5	Very high	95.2	Very high	53 Å²	53	61.6 Å²	61.6	28%	0.283	33%	0.33	S	S	.	.	H	α-helix	trans	-63.7	-41.8	176.5	-62	-40	0	0	0	111.4	L140 T141 S142 F149	L140-D145 HydrophobicContact CD2-CB 4.41Å; T141-D145 PolarHBondContact OG1-OD2 3.4Å; S142-D145 PolarHBondContact N-OD2 3.25Å; S142-D145 PolarHBondContact O-N 2.87Å; S142-D145 VanDerWaalsContact O-N 3.17Å; S142-D145 PolarHBondContact OG-N 3.08Å; S142-D145 PolarHBondContact OG-OD2 3.33Å; D145-F149 WeakPolarHBondContact O-CB 3.38Å; D145-F149 PolarHBondContact O-N 3.26Å
146	A	98.1	Very high	95.9	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-68.4	-43.7	178.7	0	0	0	0	0	112.1	L140 S142 V143 A144 F149 L150 V192 Y196	L140-A146 HydrophobicContact CB-CB 4.31Å; L140-A146 HydrophobicContact CD1-CB 4.03Å; S142-A146 PolarHBondContact O-N 3.31Å; S142-A146 VanDerWaalsContact O-N 3.11Å; V143-A146 PolarHBondContact O-N 2.93Å; A144-A146 VanDerWaalsContact C-N 3.34Å; A144-A146 PolarHBondContact O-N 2.93Å; A146-F149 PolarHBondContact O-N 2.62Å; A146-L150 WeakPolarHBondContact O-CG 3.4Å; A146-L150 PolarHBondContact O-N 3.42Å; A146-V192 HydrophobicContact CB-CG1 3.93Å; A146-Y196 HydrophobicContact CB-CE2 3.66Å
147	E	98.1	Very high	96.5	Very high	88 Å²	88	55.2 Å²	55.2	41%	0.411	29%	0.289	S	S	.	.	H	α-helix	trans	-62.9	-42.9	175.7	-74.2	179.7	156.5	0	0	111.6	V143 A144 L150 K151 K195 Y196	V143-E147 HydrophobicContact CG1-CG 4.17Å; V143-E147 WeakPolarHBondContact O-CB 3.31Å; V143-E147 WeakPolarHBondContact O-CG 3.35Å; V143-E147 PolarHBondContact O-N 2.91Å; A144-E147 PolarHBondContact O-N 3.19Å; E147-L150 PolarHBondContact O-N 2.75Å; E147-K151 WeakPolarHBondContact O-CB 3.33Å; E147-K151 PolarHBondContact O-N 2.9Å; E147-K195 WeakPolarHBondContact OE1-CE 3.47Å; E147-K195 IonicContact OE1-NZ 2.76Å; E147-K195 PolarHBondContact OE1-NZ 2.79Å; E147-Y196 PolarHBondContact N-OH 3.05Å
148	Q	97.7	Very high	96.8	Very high	83 Å²	83	55 Å²	55	39%	0.388	29%	0.287	S	S	.	.	H	α-helix	trans	-65.8	-41.8	175.9	-174.4	58.3	46.4	0	0	111.4	A144 L150 K151 D152	A144-Q148 VanDerWaalsContact O-CB 3.27Å; A144-Q148 WeakPolarHBondContact O-CB 3.49Å; A144-Q148 PolarHBondContact O-N 3.08Å; Q148-L150 PolarHBondContact O-N 3.35Å; Q148-K151 WeakPolarHBondContact O-CB 3.39Å; Q148-K151 PolarHBondContact O-N 3.27Å; Q148-K151 VanDerWaalsContact O-N 3.16Å; Q148-D152 PolarHBondContact NE2-OD1 2.88Å; Q148-D152 PolarHBondContact NE2-OD2 3.42Å; Q148-D152 VanDerWaalsContact O-CG 3.27Å; Q148-D152 PolarHBondContact O-N 3.14Å
149	F	97.1	Very high	97	Very high	10 Å²	10	50.8 Å²	50.8	4%	0.044	27%	0.269	C	S	.	.	H	α-helix	trans	-59.8	-44.8	175.8	176.5	-106.9	0	0	0	112.5	K138 L140 D145 A146 K151 D152 N153 A156 I158 V183 F184	K138-F149 HydrophobicContact CB-CD2 4.41Å; K138-F149 HydrophobicContact CB-CE2 4.29Å; K138-F149 HydrophobicContact CD-CD2 3.77Å; K138-F149 HydrophobicContact CD-CE2 4.41Å; K138-F149 HydrophobicContact CD-CG 4.47Å; L140-F149 HydrophobicContact CD1-CD1 3.94Å; L140-F149 HydrophobicContact CD1-CE1 4.5Å; L140-F149 HydrophobicContact CD1-CG 4.42Å; L140-F149 HydrophobicContact CD2-CB 3.69Å; L140-F149 HydrophobicContact CD2-CD1 4.23Å; L140-F149 HydrophobicContact CD2-CD2 4.43Å; L140-F149 HydrophobicContact CD2-CG 3.88Å; D145-F149 WeakPolarHBondContact O-CB 3.38Å; D145-F149 PolarHBondContact O-N 3.26Å; A146-F149 PolarHBondContact O-N 2.62Å; F149-K151 VanDerWaalsContact C-N 3.28Å; F149-K151 PolarHBondContact O-N 2.77Å; F149-D152 PolarHBondContact O-N 3.32Å; F149-N153 PolarHBondContact O-N 3.16Å; F149-N153 PolarHBondContact O-ND2 3.29Å; F149-A156 HydrophobicContact CD1-CB 4.39Å; F149-A156 HydrophobicContact CE1-CB 3.66Å; F149-A156 HydrophobicContact CZ-CB 4.04Å; F149-I158 HydrophobicContact CD1-CD1 4.1Å; F149-I158 HydrophobicContact CD1-CG1 4.23Å; F149-I158 HydrophobicContact CE1-CD1 4.32Å; F149-I158 HydrophobicContact CE1-CG1 3.95Å; F149-V183 HydrophobicContact CE2-CB 4.22Å; F149-V183 HydrophobicContact CE2-CG2 4.3Å; F149-V183 HydrophobicContact CZ-CB 4.1Å; F149-V183 HydrophobicContact CZ-CG2 3.99Å; F149-F184 VanDerWaalsContact CZ-C 3.46Å
150	L	97.3	Very high	97.1	Very high	40 Å²	40	46.9 Å²	46.9	21%	0.209	25%	0.248	C	C	.	.	H	α-helix	trans	-71.1	-22.6	176.2	-66.5	-174	0	0	0	113.5	A146 E147 Q148 N153 A156 I158 Y196 F206	A146-L150 WeakPolarHBondContact O-CG 3.4Å; A146-L150 PolarHBondContact O-N 3.42Å; E147-L150 PolarHBondContact O-N 2.75Å; Q148-L150 PolarHBondContact O-N 3.35Å; L150-N153 VanDerWaalsContact O-O 3.09Å; L150-A156 HydrophobicContact CD2-CB 3.87Å; L150-I158 HydrophobicContact CD1-CD1 4.35Å; L150-I158 HydrophobicContact CD2-CD1 3.75Å; L150-I158 HydrophobicContact CD2-CG1 4.42Å; L150-I158 HydrophobicContact CG-CD1 4.09Å; L150-Y196 HydrophobicContact CD1-CD1 4.39Å; L150-Y196 HydrophobicContact CD1-CE1 3.4Å; L150-Y196 VanDerWaalsContact CD1-CE1 3.4Å; L150-Y196 WeakPolarHBondContact CD1-OH 3.14Å; L150-F206 HydrophobicContact CD1-CB 4.43Å; L150-F206 HydrophobicContact CD1-CD1 3.73Å; L150-F206 HydrophobicContact CD1-CD2 4.19Å; L150-F206 HydrophobicContact CD1-CE1 3.95Å; L150-F206 HydrophobicContact CD1-CE2 4.38Å; L150-F206 HydrophobicContact CD1-CG 3.85Å; L150-F206 HydrophobicContact CD1-CZ 4.26Å; L150-F206 HydrophobicContact CD2-CB 3.69Å; L150-F206 HydrophobicContact CD2-CD1 4.4Å; L150-F206 HydrophobicContact CD2-CD2 3.69Å; L150-F206 HydrophobicContact CD2-CE2 4.42Å; L150-F206 HydrophobicContact CD2-CG 3.66Å; L150-F206 HydrophobicContact CG-CG 4.43Å
151	K	96.3	Very high	97.1	Very high	166 Å²	166	46.9 Å²	46.9	72%	0.722	25%	0.248	S	C	*	.	H	α-helix	trans	-77.3	-36.8	174.5	-177.3	-178.9	174.8	-173.7	0	112.2	E147 Q148 F149 N153	E147-K151 WeakPolarHBondContact O-CB 3.33Å; E147-K151 PolarHBondContact O-N 2.9Å; Q148-K151 WeakPolarHBondContact O-CB 3.39Å; Q148-K151 PolarHBondContact O-N 3.27Å; Q148-K151 VanDerWaalsContact O-N 3.16Å; F149-K151 VanDerWaalsContact C-N 3.28Å; F149-K151 PolarHBondContact O-N 2.77Å; K151-N153 VanDerWaalsContact C-N 3.28Å
152	D	94.3	Very high	97	Very high	99 Å²	99	49.9 Å²	49.9	53%	0.529	25%	0.254	S	S	.	.	H	α-helix	trans	-78.2	-13.8	-178.1	-68.6	-24.5	0	0	0	113.1	Q148 F149	Q148-D152 PolarHBondContact NE2-OD1 2.88Å; Q148-D152 PolarHBondContact NE2-OD2 3.42Å; Q148-D152 VanDerWaalsContact O-CG 3.27Å; Q148-D152 PolarHBondContact O-N 3.14Å; F149-D152 PolarHBondContact O-N 3.32Å
153	N	94.2	Very high	96.9	Very high	44 Å²	44	52.5 Å²	52.5	24%	0.235	27%	0.265	C	S	.	.			trans	-133.1	118.3	-173.1	-59.6	-78.6	0	0	0	110.8	F149 L150 K151 I155 A156 V183	F149-N153 PolarHBondContact O-N 3.16Å; F149-N153 PolarHBondContact O-ND2 3.29Å; L150-N153 VanDerWaalsContact O-O 3.09Å; K151-N153 VanDerWaalsContact C-N 3.28Å; N153-I155 VanDerWaalsContact C-N 3.34Å; N153-I155 PolarHBondContact O-N 3.47Å; N153-A156 HydrophobicContact CB-CB 4.09Å; N153-V183 HydrophobicContact CB-CG2 3.42Å; N153-V183 VanDerWaalsContact CB-CG2 3.42Å; N153-V183 WeakPolarHBondContact OD1-CG1 3.31Å; N153-V183 WeakPolarHBondContact OD1-CG2 3.45Å
154	E	92.4	Very high	96.7	Very high	147 Å²	147	53.2 Å²	53.2	69%	0.687	27%	0.268	S	S	*	.	S	Bend	trans	-61.3	-42.4	-179.1	-171.7	-179.3	143.5	0	0	112.2	P208	E154-P208 HydrophobicContact CG-CG 3.64Å; E154-P208 WeakPolarHBondContact O-CD 3.32Å
155	I	95.5	Very high	96.5	Very high	29 Å²	29	56.4 Å²	56.4	15%	0.149	27%	0.271	C	S	.	.	S	Bend	trans	-123.4	123.7	174.4	-58.6	173.1	0	0	0	108.2	N153 F182 V183 L205 F206 K207 F209 S233	N153-I155 VanDerWaalsContact C-N 3.34Å; N153-I155 PolarHBondContact O-N 3.47Å; I155-F182 HydrophobicContact CG2-CD1 4.25Å; I155-F182 HydrophobicContact CG2-CE1 4.49Å; I155-V183 WeakPolarHBondContact O-CG2 3.3Å; I155-L205 HydrophobicContact CG2-CD1 4.35Å; I155-L205 HydrophobicContact CG2-CD2 4.2Å; I155-L205 HydrophobicContact CG2-CG 4.31Å; I155-F206 WeakPolarHBondContact CA-O 3.43Å; I155-K207 HydrophobicContact CG1-CB 4.4Å; I155-F209 HydrophobicContact CD1-CE1 4.25Å; I155-F209 HydrophobicContact CD1-CZ 4.38Å; I155-S233 WeakPolarHBondContact CD1-O 3.29Å
156	A	97.6	Very high	96.4	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.008	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	147.1	-178.4	0	0	0	0	0	111.9	F149 L150 N153 V183 L205 F206	F149-A156 HydrophobicContact CD1-CB 4.39Å; F149-A156 HydrophobicContact CE1-CB 3.66Å; F149-A156 HydrophobicContact CZ-CB 4.04Å; L150-A156 HydrophobicContact CD2-CB 3.87Å; N153-A156 HydrophobicContact CB-CB 4.09Å; A156-V183 HydrophobicContact CB-CG2 3.77Å; A156-L205 CarbonylContact O-C 3.58Å; A156-L205 WeakPolarHBondContact O-CA 3.38Å; A156-F206 PolarHBondContact N-O 2.95Å; A156-F206 VanDerWaalsContact N-O 3.1Å; A156-F206 PolarHBondContact O-N 2.93Å
157	I	98.4	Very high	96.3	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.9	-179.2	-55.2	171.2	0	0	0	108.3	F172 F182 V183 F184 G185 V203 V204 L205 A229	I157-F172 HydrophobicContact CG2-CE2 3.9Å; I157-F172 HydrophobicContact CG2-CZ 4.39Å; I157-F182 HydrophobicContact CD1-CB 4.23Å; I157-F182 HydrophobicContact CD1-CG 4.31Å; I157-V183 PolarHBondContact N-O 2.91Å; I157-F184 HydrophobicContact CB-CD1 3.78Å; I157-F184 HydrophobicContact CB-CE1 3.82Å; I157-F184 HydrophobicContact CB-CG 4.49Å; I157-F184 HydrophobicContact CD1-CD1 4.42Å; I157-F184 HydrophobicContact CD1-CE1 3.64Å; I157-F184 HydrophobicContact CD1-CE2 4.49Å; I157-F184 HydrophobicContact CD1-CZ 3.67Å; I157-F184 HydrophobicContact CG1-CE1 4.3Å; I157-F184 HydrophobicContact CG2-CD1 4Å; I157-F184 HydrophobicContact CG2-CE1 3.91Å; I157-F184 CarbonylContact O-C 3.54Å; I157-F184 VanDerWaalsContact O-CA 3.27Å; I157-F184 WeakPolarHBondContact O-CA 3.44Å; I157-G185 PolarHBondContact O-N 3.14Å; I157-V203 HydrophobicContact CG2-CG1 3.55Å; I157-V204 WeakPolarHBondContact CA-O 3.29Å; I157-L205 HydrophobicContact CD1-CD1 4.05Å; I157-L205 HydrophobicContact CG1-CB 4.18Å; I157-L205 HydrophobicContact CG1-CD1 3.85Å; I157-L205 HydrophobicContact CG1-CG 3.97Å; I157-A229 HydrophobicContact CD1-CB 3.54Å
158	I	98.6	Very high	96.3	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	126.2	178	-55.2	176.9	0	0	0	109.8	L140 F149 L150 F160 G185 V203 V204 F206	L140-I158 HydrophobicContact CD1-CD1 3.64Å; L140-I158 HydrophobicContact CD1-CG1 4Å; L140-I158 HydrophobicContact CD1-CG2 3.99Å; F149-I158 HydrophobicContact CD1-CD1 4.1Å; F149-I158 HydrophobicContact CD1-CG1 4.23Å; F149-I158 HydrophobicContact CE1-CD1 4.32Å; F149-I158 HydrophobicContact CE1-CG1 3.95Å; L150-I158 HydrophobicContact CD1-CD1 4.35Å; L150-I158 HydrophobicContact CD2-CD1 3.75Å; L150-I158 HydrophobicContact CD2-CG1 4.42Å; L150-I158 HydrophobicContact CG-CD1 4.09Å; I158-F160 HydrophobicContact CB-CE2 3.82Å; I158-F160 HydrophobicContact CB-CZ 3.88Å; I158-F160 HydrophobicContact CG2-CD1 4.27Å; I158-F160 HydrophobicContact CG2-CD2 4.17Å; I158-F160 HydrophobicContact CG2-CE1 3.81Å; I158-F160 HydrophobicContact CG2-CE2 3.67Å; I158-F160 HydrophobicContact CG2-CG 4.47Å; I158-F160 HydrophobicContact CG2-CZ 3.48Å; I158-F160 VanDerWaalsContact CG2-CZ 3.48Å; I158-F160 WeakPolarHBondContact O-CE2 3.27Å; I158-G185 VanDerWaalsContact CA-O 3.31Å; I158-G185 WeakPolarHBondContact CA-O 3.49Å; I158-V203 WeakPolarHBondContact O-CA 2.93Å; I158-V204 PolarHBondContact N-O 3.42Å; I158-V204 PolarHBondContact O-N 2.95Å; I158-F206 HydrophobicContact CB-CE2 4.09Å; I158-F206 HydrophobicContact CD1-CD2 4.1Å; I158-F206 HydrophobicContact CD1-CE2 3.76Å; I158-F206 HydrophobicContact CG1-CD2 4.2Å; I158-F206 HydrophobicContact CG1-CE2 4.01Å
159	G	98.5	Very high	96.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	134.5	168.5	0	0	0	0	0	111.3	G185 V186 S187	G159-G185 PolarHBondContact N-O 3.16Å; G159-V186 CarbonylContact O-C 3.56Å; G159-V186 WeakPolarHBondContact O-CA 3.21Å; G159-S187 PolarHBondContact O-N 3.22Å
160	F	98.3	Very high	96.1	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	101	-176.3	-62.2	-88	0	0	0	109.1	I158 S187 V192 I193 Y196 A198 N201 G202 V204 F206	I158-F160 HydrophobicContact CB-CE2 3.82Å; I158-F160 HydrophobicContact CB-CZ 3.88Å; I158-F160 HydrophobicContact CG2-CD1 4.27Å; I158-F160 HydrophobicContact CG2-CD2 4.17Å; I158-F160 HydrophobicContact CG2-CE1 3.81Å; I158-F160 HydrophobicContact CG2-CE2 3.67Å; I158-F160 HydrophobicContact CG2-CG 4.47Å; I158-F160 HydrophobicContact CG2-CZ 3.48Å; I158-F160 VanDerWaalsContact CG2-CZ 3.48Å; I158-F160 WeakPolarHBondContact O-CE2 3.27Å; F160-S187 WeakPolarHBondContact CA-O 3.37Å; F160-V192 HydrophobicContact CE1-CG1 4.01Å; F160-I193 HydrophobicContact CB-CG1 4.16Å; F160-I193 HydrophobicContact CD1-CB 4.43Å; F160-I193 HydrophobicContact CD1-CG1 3.84Å; F160-I193 HydrophobicContact CG-CG1 4.45Å; F160-Y196 HydrophobicContact CE1-CD2 4.06Å; F160-Y196 HydrophobicContact CZ-CD2 4.06Å; F160-Y196 HydrophobicContact CZ-CG 4.16Å; F160-A198 HydrophobicContact CB-CB 3.99Å; F160-A198 HydrophobicContact CD1-CB 3.8Å; F160-A198 HydrophobicContact CD2-CB 3.46Å; F160-A198 VanDerWaalsContact CD2-CB 3.46Å; F160-A198 HydrophobicContact CE1-CB 4.06Å; F160-A198 HydrophobicContact CE2-CB 3.78Å; F160-A198 HydrophobicContact CG-CB 3.47Å; F160-A198 VanDerWaalsContact CG-CB 3.47Å; F160-A198 HydrophobicContact CZ-CB 4.06Å; F160-N201 WeakPolarHBondContact O-CA 3.18Å; F160-N201 PolarHBondContact O-N 2.88Å; F160-G202 WeakPolarHBondContact CD2-O 3.32Å; F160-G202 PolarHBondContact N-O 3.49Å; F160-G202 PolarHBondContact O-N 3.48Å; F160-V204 HydrophobicContact CD2-CG2 4.19Å; F160-V204 HydrophobicContact CE2-CB 3.98Å; F160-V204 HydrophobicContact CE2-CG2 3.72Å; F160-F206 HydrophobicContact CZ-CE2 4.48Å; F160-F206 HydrophobicContact CZ-CZ 4.49Å
161	F	97.5	Very high	96.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.289	C	S	.	.			trans	-132.3	122.9	-174.4	-48.7	-81.2	0	0	0	109.6	D163 L164 E168 A169 F172 V186 S187 S188 N201 V203 L220	F161-D163 PolarHBondContact O-N 3.5Å; F161-L164 HydrophobicContact CB-CD2 4.31Å; F161-E168 HydrophobicContact CD1-CB 4.09Å; F161-E168 HydrophobicContact CE1-CB 3.84Å; F161-A169 HydrophobicContact CB-CB 3.99Å; F161-A169 HydrophobicContact CD1-CB 4.07Å; F161-A169 HydrophobicContact CD2-CB 3.8Å; F161-A169 HydrophobicContact CE2-CB 4.3Å; F161-A169 HydrophobicContact CG-CB 3.69Å; F161-F172 HydrophobicContact CE2-CB 3.73Å; F161-F172 AromaticContact CE2-CD1 3.79Å; F161-F172 HydrophobicContact CE2-CD1 3.79Å; F161-F172 HydrophobicContact CE2-CD2 4.27Å; F161-F172 HydrophobicContact CE2-CE1 4.48Å; F161-F172 AromaticContact CE2-CG 3.66Å; F161-F172 HydrophobicContact CE2-CG 3.66Å; F161-F172 HydrophobicContact CZ-CB 3.54Å; F161-F172 HydrophobicContact CZ-CD1 4.39Å; F161-F172 HydrophobicContact CZ-CD2 4.17Å; F161-F172 AromaticContact CZ-CG 3.79Å; F161-F172 HydrophobicContact CZ-CG 3.79Å; F161-V186 HydrophobicContact CD2-CG2 3.76Å; F161-V186 HydrophobicContact CE2-CG2 4.17Å; F161-S187 PolarHBondContact N-O 2.88Å; F161-S188 WeakPolarHBondContact O-CA 3.49Å; F161-S188 WeakPolarHBondContact O-CB 3.41Å; F161-N201 HydrophobicContact CD1-CB 4.27Å; F161-N201 HydrophobicContact CE1-CB 4.42Å; F161-V203 HydrophobicContact CZ-CG2 3.99Å; F161-L220 HydrophobicContact CE1-CD2 3.94Å; F161-L220 HydrophobicContact CZ-CD2 4.18Å
162	K	95.2	Very high	96.1	Very high	143 Å²	143	52.2 Å²	52.2	62%	0.622	26%	0.255	S	S	*	.	S	Bend	trans	-63.7	-33.4	173.7	-73.6	179.8	-160.9	136	0	112.9	D200	K162-D200 VanDerWaalsContact CD-OD2 3.31Å; K162-D200 WeakPolarHBondContact CD-OD2 3.34Å; K162-D200 VanDerWaalsContact CE-OD2 3.31Å; K162-D200 WeakPolarHBondContact CE-OD2 3.43Å; K162-D200 WeakPolarHBondContact CG-OD1 3.2Å; K162-D200 PolarHBondContact N-OD1 3.32Å; K162-D200 IonicContact NZ-OD2 2.77Å; K162-D200 PolarHBondContact NZ-OD2 3.32Å
163	D	95.5	Very high	96.1	Very high	93 Å²	93	49.8 Å²	49.8	50%	0.497	24%	0.244	S	C	.	.			trans	-113.5	113.1	173.7	-176.5	6.6	0	0	0	108.9	F161 E165 S166	F161-D163 PolarHBondContact O-N 3.5Å; D163-E165 PolarHBondContact O-N 3.11Å; D163-E165 WeakPolarHBondContact OD1-CB 3.46Å; D163-E165 PolarHBondContact OD1-N 3.17Å; D163-S166 WeakPolarHBondContact O-CB 3.45Å; D163-S166 PolarHBondContact O-N 3.33Å; D163-S166 PolarHBondContact O-OG 3.37Å; D163-S166 VanDerWaalsContact O-OG 3.08Å
164	L	94.1	Very high	96	Very high	58 Å²	58	53.3 Å²	53.3	30%	0.304	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-10.7	178.8	-60.8	-177.9	0	0	0	112.6	F161 A169 V186	F161-L164 HydrophobicContact CB-CD2 4.31Å; L164-A169 VanDerWaalsContact O-CB 3.23Å; L164-A169 WeakPolarHBondContact O-CB 3.48Å; L164-V186 HydrophobicContact CD2-CG2 3.55Å
165	E	94.3	Very high	96	Very high	131 Å²	131	46.3 Å²	46.3	61%	0.612	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.1	3	176	-63.1	-59.1	139.8	0	0	113.1	D163 K170	D163-E165 PolarHBondContact O-N 3.11Å; D163-E165 WeakPolarHBondContact OD1-CB 3.46Å; D163-E165 PolarHBondContact OD1-N 3.17Å; E165-K170 WeakPolarHBondContact O-CE 3.26Å; E165-K170 PolarHBondContact O-NZ 3.3Å
166	S	96.1	Very high	95.9	Very high	19 Å²	19	45.1 Å²	45.1	13%	0.133	22%	0.219	C	C	.	.	S	Bend	trans	-62.3	156.2	174.5	72.9	0	0	0	0	111.3	D163 E168 A169 K170	D163-S166 WeakPolarHBondContact O-CB 3.45Å; D163-S166 PolarHBondContact O-N 3.33Å; D163-S166 PolarHBondContact O-OG 3.37Å; D163-S166 VanDerWaalsContact O-OG 3.08Å; S166-E168 PolarHBondContact O-N 3.4Å; S166-A169 PolarHBondContact O-N 3.33Å; S166-A169 WeakPolarHBondContact OG-CB 3.48Å; S166-A169 PolarHBondContact OG-N 3.43Å; S166-K170 WeakPolarHBondContact O-CG 3.43Å; S166-K170 PolarHBondContact O-N 3.49Å
167	E	95.8	Very high	95.3	Very high	132 Å²	132	45.9 Å²	45.9	62%	0.617	22%	0.223	S	C	*	.	H	α-helix	trans	-60.8	-33.9	177	-65.1	-58.9	118.3	0	0	111.2	K170 T171	E167-K170 IonicContact OE1-NZ 3.46Å; E167-K170 PolarHBondContact OE1-NZ 3.35Å; E167-T171 WeakPolarHBondContact O-CB 3.31Å; E167-T171 PolarHBondContact O-N 2.99Å; E167-T171 PolarHBondContact O-OG1 3.3Å
168	E	96.7	Very high	94.7	Very high	72 Å²	72	47.5 Å²	47.5	34%	0.336	24%	0.236	S	C	.	.	H	α-helix	trans	-64.6	-47.6	174.1	-65.5	89.3	163.9	0	0	112.3	F161 S166 T171 F172 N201 L220	F161-E168 HydrophobicContact CD1-CB 4.09Å; F161-E168 HydrophobicContact CE1-CB 3.84Å; S166-E168 PolarHBondContact O-N 3.4Å; E168-T171 PolarHBondContact O-N 2.81Å; E168-F172 WeakPolarHBondContact O-CB 3.27Å; E168-F172 PolarHBondContact O-N 2.99Å; E168-N201 HydrophobicContact CB-CB 4.44Å; E168-N201 HydrophobicContact CG-CB 4.33Å; E168-N201 PolarHBondContact OE1-ND2 3.13Å; E168-L220 HydrophobicContact CB-CD2 3.61Å; E168-L220 HydrophobicContact CG-CD2 4.15Å; E168-L220 WeakPolarHBondContact O-CD2 3.47Å
169	A	96.8	Very high	94.1	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.008	24%	0.241	C	C	.	.	H	α-helix	trans	-65.9	-39.2	178.8	0	0	0	0	0	111.9	F161 L164 S166 F172 T173	F161-A169 HydrophobicContact CB-CB 3.99Å; F161-A169 HydrophobicContact CD1-CB 4.07Å; F161-A169 HydrophobicContact CD2-CB 3.8Å; F161-A169 HydrophobicContact CE2-CB 4.3Å; F161-A169 HydrophobicContact CG-CB 3.69Å; L164-A169 VanDerWaalsContact O-CB 3.23Å; L164-A169 WeakPolarHBondContact O-CB 3.48Å; S166-A169 PolarHBondContact O-N 3.33Å; S166-A169 WeakPolarHBondContact OG-CB 3.48Å; S166-A169 PolarHBondContact OG-N 3.43Å; A169-F172 PolarHBondContact O-N 3.15Å; A169-T173 WeakPolarHBondContact O-CB 3.36Å; A169-T173 PolarHBondContact O-N 2.91Å; A169-T173 PolarHBondContact O-OG1 2.92Å
170	K	95.2	Very high	93.2	Very high	93 Å²	93	52.3 Å²	52.3	40%	0.404	26%	0.262	S	S	.	.	H	α-helix	trans	-64.2	-42.6	173.6	-72.6	172.8	-177.2	150.4	0	111.9	E165 S166 E167 T173 K174	E165-K170 WeakPolarHBondContact O-CE 3.26Å; E165-K170 PolarHBondContact O-NZ 3.3Å; S166-K170 WeakPolarHBondContact O-CG 3.43Å; S166-K170 PolarHBondContact O-N 3.49Å; E167-K170 IonicContact OE1-NZ 3.46Å; E167-K170 PolarHBondContact OE1-NZ 3.35Å; K170-T173 PolarHBondContact O-N 3.29Å; K170-K174 WeakPolarHBondContact O-CB 3.31Å; K170-K174 PolarHBondContact O-N 2.97Å
171	T	96.4	Very high	92.4	Very high	35 Å²	35	56.9 Å²	56.9	22%	0.215	29%	0.294	C	S	.	.	H	α-helix	trans	-62.1	-45.6	175.7	-62	0	0	0	0	111.2	E167 E168 T173 K174 V175	E167-T171 WeakPolarHBondContact O-CB 3.31Å; E167-T171 PolarHBondContact O-N 2.99Å; E167-T171 PolarHBondContact O-OG1 3.3Å; E168-T171 PolarHBondContact O-N 2.81Å; T171-T173 PolarHBondContact O-N 3.49Å; T171-K174 WeakPolarHBondContact O-CB 3.26Å; T171-K174 PolarHBondContact O-N 2.96Å; T171-V175 WeakPolarHBondContact O-CG2 3.31Å; T171-V175 PolarHBondContact O-N 3.36Å
172	F	97.5	Very high	92	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.1	-47.5	174.6	176.4	-94.8	0	0	0	112.1	A137 I157 F161 E168 A169 K174 V175 A176 F184 G185 V186 V203 L225	A137-F172 HydrophobicContact CB-CE1 3.98Å; I157-F172 HydrophobicContact CG2-CE2 3.9Å; I157-F172 HydrophobicContact CG2-CZ 4.39Å; F161-F172 HydrophobicContact CE2-CB 3.73Å; F161-F172 AromaticContact CE2-CD1 3.79Å; F161-F172 HydrophobicContact CE2-CD1 3.79Å; F161-F172 HydrophobicContact CE2-CD2 4.27Å; F161-F172 HydrophobicContact CE2-CE1 4.48Å; F161-F172 AromaticContact CE2-CG 3.66Å; F161-F172 HydrophobicContact CE2-CG 3.66Å; F161-F172 HydrophobicContact CZ-CB 3.54Å; F161-F172 HydrophobicContact CZ-CD1 4.39Å; F161-F172 HydrophobicContact CZ-CD2 4.17Å; F161-F172 AromaticContact CZ-CG 3.79Å; F161-F172 HydrophobicContact CZ-CG 3.79Å; E168-F172 WeakPolarHBondContact O-CB 3.27Å; E168-F172 PolarHBondContact O-N 2.99Å; A169-F172 PolarHBondContact O-N 3.15Å; F172-K174 VanDerWaalsContact C-N 3.3Å; F172-K174 PolarHBondContact O-N 3.38Å; F172-V175 PolarHBondContact O-N 2.82Å; F172-A176 WeakPolarHBondContact O-CB 3.34Å; F172-A176 PolarHBondContact O-N 3.03Å; F172-F184 HydrophobicContact CE1-CB 4.41Å; F172-F184 HydrophobicContact CE1-CD1 4.24Å; F172-F184 AromaticContact CE2-CD1 3.83Å; F172-F184 HydrophobicContact CE2-CD1 3.83Å; F172-F184 HydrophobicContact CE2-CE1 4.3Å; F172-F184 HydrophobicContact CZ-CB 4.24Å; F172-F184 AromaticContact CZ-CD1 3.58Å; F172-F184 HydrophobicContact CZ-CD1 3.58Å; F172-F184 HydrophobicContact CZ-CE1 4.48Å; F172-F184 HydrophobicContact CZ-CG 4.4Å; F172-G185 VanDerWaalsContact CE1-O 3.32Å; F172-G185 WeakPolarHBondContact CE1-O 3.34Å; F172-G185 VanDerWaalsContact CZ-O 3.26Å; F172-G185 WeakPolarHBondContact CZ-O 3.46Å; F172-V186 HydrophobicContact CE1-CB 4.27Å; F172-V203 HydrophobicContact CD2-CG1 4.08Å; F172-V203 HydrophobicContact CD2-CG2 3.72Å; F172-V203 HydrophobicContact CE2-CG1 3.71Å; F172-V203 HydrophobicContact CE2-CG2 4.09Å; F172-L225 HydrophobicContact CD2-CD2 3.83Å
173	T	93.8	Very high	91.9	Very high	48 Å²	48	54 Å²	54	29%	0.294	29%	0.286	S	S	.	.	H	α-helix	trans	-60.2	-39.9	177.4	-60.2	0	0	0	0	111.5	P136 A169 K170 T171 A176 N177	P136-T173 HydrophobicContact CG-CG2 3.44Å; P136-T173 VanDerWaalsContact CG-CG2 3.44Å; A169-T173 WeakPolarHBondContact O-CB 3.36Å; A169-T173 PolarHBondContact O-N 2.91Å; A169-T173 PolarHBondContact O-OG1 2.92Å; K170-T173 PolarHBondContact O-N 3.29Å; T171-T173 PolarHBondContact O-N 3.49Å; T173-A176 WeakPolarHBondContact O-CB 2.9Å; T173-A176 PolarHBondContact O-N 3.38Å; T173-N177 PolarHBondContact O-N 3.38Å
174	K	91.4	Very high	92	Very high	117 Å²	117	50 Å²	50	51%	0.509	26%	0.264	S	S	.	.	H	α-helix	trans	-65	-41.3	175.7	-172.9	175.5	-179.4	-167.6	0	112.3	K170 T171 F172 N177 A178 E222	K170-K174 WeakPolarHBondContact O-CB 3.31Å; K170-K174 PolarHBondContact O-N 2.97Å; T171-K174 WeakPolarHBondContact O-CB 3.26Å; T171-K174 PolarHBondContact O-N 2.96Å; F172-K174 VanDerWaalsContact C-N 3.3Å; F172-K174 PolarHBondContact O-N 3.38Å; K174-N177 WeakPolarHBondContact O-CB 3.38Å; K174-N177 PolarHBondContact O-N 2.94Å; K174-A178 PolarHBondContact O-N 2.89Å; K174-A178 VanDerWaalsContact O-N 3.14Å; K174-E222 HydrophobicContact CD-CG 4.36Å; K174-E222 WeakPolarHBondContact CD-OE1 3.32Å; K174-E222 WeakPolarHBondContact CE-OE1 3.33Å; K174-E222 IonicContact NZ-OE1 2.62Å; K174-E222 PolarHBondContact NZ-OE1 2.84Å
175	V	93	Very high	92.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68	-40.2	174.5	174.8	0	0	0	0	111.5	T171 F172 N177 A178 L179 F184 E222 L225 K226	T171-V175 WeakPolarHBondContact O-CG2 3.31Å; T171-V175 PolarHBondContact O-N 3.36Å; F172-V175 PolarHBondContact O-N 2.82Å; V175-N177 VanDerWaalsContact C-N 3.26Å; V175-N177 PolarHBondContact O-N 2.85Å; V175-A178 PolarHBondContact O-N 2.8Å; V175-L179 HydrophobicContact CG1-CD1 3.67Å; V175-L179 HydrophobicContact CG1-CG 4.11Å; V175-L179 PolarHBondContact O-N 2.92Å; V175-F184 HydrophobicContact CG1-CZ 4.42Å; V175-E222 HydrophobicContact CG2-CB 4.01Å; V175-E222 HydrophobicContact CG2-CG 3.82Å; V175-L225 HydrophobicContact CB-CD2 3.78Å; V175-L225 HydrophobicContact CB-CG 4.34Å; V175-L225 HydrophobicContact CG1-CB 4.37Å; V175-L225 HydrophobicContact CG1-CD2 3.87Å; V175-L225 HydrophobicContact CG1-CG 3.92Å; V175-L225 HydrophobicContact CG2-CB 4.23Å; V175-L225 HydrophobicContact CG2-CD2 3.95Å; V175-L225 HydrophobicContact CG2-CG 4.39Å; V175-K226 HydrophobicContact CG1-CG 3.94Å
176	A	92.8	Very high	92.4	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.033	22%	0.224	C	C	.	.	H	α-helix	trans	-59.4	-37.8	174.7	0	0	0	0	0	112.1	P136 F172 T173 A178 F184	P136-A176 HydrophobicContact CB-CB 3.85Å; F172-A176 WeakPolarHBondContact O-CB 3.34Å; F172-A176 PolarHBondContact O-N 3.03Å; T173-A176 WeakPolarHBondContact O-CB 2.9Å; T173-A176 PolarHBondContact O-N 3.38Å; A176-A178 VanDerWaalsContact C-N 3.35Å; A176-F184 HydrophobicContact CB-CB 3.6Å; A176-F184 HydrophobicContact CB-CD1 3.63Å; A176-F184 HydrophobicContact CB-CD2 3.63Å; A176-F184 HydrophobicContact CB-CE1 4.18Å; A176-F184 HydrophobicContact CB-CE2 4.18Å; A176-F184 HydrophobicContact CB-CG 3.33Å; A176-F184 HydrophobicContact CB-CZ 4.43Å
177	N	85.2	Confident	92.4	Very high	17 Å²	17	40.8 Å²	40.8	9%	0.091	22%	0.218	C	C	.	.	H	α-helix	trans	-64.2	-35.5	171	-94.8	-30.3	0	0	0	113	R109 P136 T173 K174 V175	R109-N177 PolarHBondContact NE-OD1 3.36Å; R109-N177 PolarHBondContact NH2-OD1 3.31Å; P136-N177 HydrophobicContact CB-CB 4.24Å; P136-N177 VanDerWaalsContact CB-OD1 3.24Å; P136-N177 WeakPolarHBondContact CB-OD1 3.4Å; T173-N177 PolarHBondContact O-N 3.38Å; K174-N177 WeakPolarHBondContact O-CB 3.38Å; K174-N177 PolarHBondContact O-N 2.94Å; V175-N177 VanDerWaalsContact C-N 3.26Å; V175-N177 PolarHBondContact O-N 2.85Å
178	A	85.2	Confident	92.5	Very high	35 Å²	35	37 Å²	37	29%	0.289	21%	0.206	S	C	.	.	H	α-helix	trans	-86	-17.5	-173.8	0	0	0	0	0	114.1	K174 V175 A176	K174-A178 PolarHBondContact O-N 2.89Å; K174-A178 VanDerWaalsContact O-N 3.14Å; V175-A178 PolarHBondContact O-N 2.8Å; A176-A178 VanDerWaalsContact C-N 3.35Å
179	L	86.7	Confident	92.5	Very high	18 Å²	18	35.7 Å²	35.7	9%	0.094	20%	0.202	C	C	.	.			trans	-114.5	71.9	-172.9	-70.9	-173.3	0	0	0	112.6	V175 S181 F182 F184 K226 A229	V175-L179 HydrophobicContact CG1-CD1 3.67Å; V175-L179 HydrophobicContact CG1-CG 4.11Å; V175-L179 PolarHBondContact O-N 2.92Å; L179-S181 PolarHBondContact O-N 2.9Å; L179-S181 VanDerWaalsContact O-N 3.08Å; L179-F182 HydrophobicContact CB-CD2 4.09Å; L179-F182 HydrophobicContact CD1-CD2 4.09Å; L179-F182 HydrophobicContact CD1-CE2 4.42Å; L179-F182 PolarHBondContact O-N 3.47Å; L179-F182 VanDerWaalsContact O-N 3.11Å; L179-F184 HydrophobicContact CB-CE2 3.92Å; L179-F184 HydrophobicContact CB-CZ 4.02Å; L179-F184 HydrophobicContact CD1-CZ 4.06Å; L179-K226 HydrophobicContact CD1-CB 4.45Å; L179-K226 HydrophobicContact CD1-CG 4.01Å; L179-K226 HydrophobicContact CD2-CG 4.19Å; L179-K226 HydrophobicContact CG-CG 4.16Å; L179-A229 HydrophobicContact CD1-CB 3.81Å
180	D	78.9	Confident	92.5	Very high	82 Å²	82	39.1 Å²	39.1	44%	0.439	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.8	-178.1	-75	-30.9	0	0	0	114.9	V114 F182	V114-D180 WeakPolarHBondContact CG2-OD2 3.42Å; D180-F182 PolarHBondContact O-N 3.04Å
181	S	82.1	Confident	92.6	Very high	96 Å²	96	40.1 Å²	40.1	67%	0.671	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-10.4	177.8	61.6	0	0	0	0	113.8	L179	L179-S181 PolarHBondContact O-N 2.9Å; L179-S181 VanDerWaalsContact O-N 3.08Å
182	F	90	Very high	92.7	Very high	33 Å²	33	38.5 Å²	38.5	15%	0.145	23%	0.229	C	C	.	.	S	Bend	trans	-122	150.7	-179.9	-57.8	-69.5	0	0	0	110.6	I155 I157 L179 D180 F184 A229 S233	I155-F182 HydrophobicContact CG2-CD1 4.25Å; I155-F182 HydrophobicContact CG2-CE1 4.49Å; I157-F182 HydrophobicContact CD1-CB 4.23Å; I157-F182 HydrophobicContact CD1-CG 4.31Å; L179-F182 HydrophobicContact CB-CD2 4.09Å; L179-F182 HydrophobicContact CD1-CD2 4.09Å; L179-F182 HydrophobicContact CD1-CE2 4.42Å; L179-F182 PolarHBondContact O-N 3.47Å; L179-F182 VanDerWaalsContact O-N 3.11Å; D180-F182 PolarHBondContact O-N 3.04Å; F182-F184 HydrophobicContact CB-CD2 4.35Å; F182-F184 HydrophobicContact CB-CE2 3.67Å; F182-F184 HydrophobicContact CB-CZ 4.18Å; F182-A229 HydrophobicContact CD2-CB 4.22Å; F182-A229 HydrophobicContact CE2-CB 4.09Å; F182-S233 WeakPolarHBondContact CE1-OG 3.5Å; F182-S233 WeakPolarHBondContact CZ-OG 3.32Å
183	V	92.9	Very high	92.6	Very high	51 Å²	51	39.5 Å²	39.5	31%	0.309	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	133.6	171	-68	0	0	0	0	110.3	F149 N153 I155 A156 I157	F149-V183 HydrophobicContact CE2-CB 4.22Å; F149-V183 HydrophobicContact CE2-CG2 4.3Å; F149-V183 HydrophobicContact CZ-CB 4.1Å; F149-V183 HydrophobicContact CZ-CG2 3.99Å; N153-V183 HydrophobicContact CB-CG2 3.42Å; N153-V183 VanDerWaalsContact CB-CG2 3.42Å; N153-V183 WeakPolarHBondContact OD1-CG1 3.31Å; N153-V183 WeakPolarHBondContact OD1-CG2 3.45Å; I155-V183 WeakPolarHBondContact O-CG2 3.3Å; A156-V183 HydrophobicContact CB-CG2 3.77Å; I157-V183 PolarHBondContact N-O 2.91Å
184	F	97.1	Very high	92.7	Very high	7 Å²	7	40.6 Å²	40.6	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	140	-179.9	-67.2	-102.2	0	0	0	110.6	A137 K138 F149 I157 F172 V175 A176 L179 F182	A137-F184 CarbonylContact C-O 3.55Å; A137-F184 VanDerWaalsContact CA-O 3.27Å; A137-F184 WeakPolarHBondContact CA-O 3.46Å; A137-F184 HydrophobicContact CB-CB 3.86Å; K138-F184 PolarHBondContact N-O 2.79Å; F149-F184 VanDerWaalsContact CZ-C 3.46Å; I157-F184 HydrophobicContact CB-CD1 3.78Å; I157-F184 HydrophobicContact CB-CE1 3.82Å; I157-F184 HydrophobicContact CB-CG 4.49Å; I157-F184 HydrophobicContact CD1-CD1 4.42Å; I157-F184 HydrophobicContact CD1-CE1 3.64Å; I157-F184 HydrophobicContact CD1-CE2 4.49Å; I157-F184 HydrophobicContact CD1-CZ 3.67Å; I157-F184 HydrophobicContact CG1-CE1 4.3Å; I157-F184 HydrophobicContact CG2-CD1 4Å; I157-F184 HydrophobicContact CG2-CE1 3.91Å; I157-F184 CarbonylContact O-C 3.54Å; I157-F184 VanDerWaalsContact O-CA 3.27Å; I157-F184 WeakPolarHBondContact O-CA 3.44Å; F172-F184 HydrophobicContact CE1-CB 4.41Å; F172-F184 HydrophobicContact CE1-CD1 4.24Å; F172-F184 AromaticContact CE2-CD1 3.83Å; F172-F184 HydrophobicContact CE2-CD1 3.83Å; F172-F184 HydrophobicContact CE2-CE1 4.3Å; F172-F184 HydrophobicContact CZ-CB 4.24Å; F172-F184 AromaticContact CZ-CD1 3.58Å; F172-F184 HydrophobicContact CZ-CD1 3.58Å; F172-F184 HydrophobicContact CZ-CE1 4.48Å; F172-F184 HydrophobicContact CZ-CG 4.4Å; V175-F184 HydrophobicContact CG1-CZ 4.42Å; A176-F184 HydrophobicContact CB-CB 3.6Å; A176-F184 HydrophobicContact CB-CD1 3.63Å; A176-F184 HydrophobicContact CB-CD2 3.63Å; A176-F184 HydrophobicContact CB-CE1 4.18Å; A176-F184 HydrophobicContact CB-CE2 4.18Å; A176-F184 HydrophobicContact CB-CG 3.33Å; A176-F184 HydrophobicContact CB-CZ 4.43Å; L179-F184 HydrophobicContact CB-CE2 3.92Å; L179-F184 HydrophobicContact CB-CZ 4.02Å; L179-F184 HydrophobicContact CD1-CZ 4.06Å; F182-F184 HydrophobicContact CB-CD2 4.35Å; F182-F184 HydrophobicContact CB-CE2 3.67Å; F182-F184 HydrophobicContact CB-CZ 4.18Å
185	G	97.6	Very high	93	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	154.5	167	0	0	0	0	0	109.5	K138 I157 I158 G159 F172	K138-G185 CarbonylContact O-C 3.54Å; K138-G185 VanDerWaalsContact O-CA 3.29Å; K138-G185 WeakPolarHBondContact O-CA 3.36Å; I157-G185 PolarHBondContact O-N 3.14Å; I158-G185 VanDerWaalsContact CA-O 3.31Å; I158-G185 WeakPolarHBondContact CA-O 3.49Å; G159-G185 PolarHBondContact N-O 3.16Å; F172-G185 VanDerWaalsContact CE1-O 3.32Å; F172-G185 WeakPolarHBondContact CE1-O 3.34Å; F172-G185 VanDerWaalsContact CZ-O 3.26Å; F172-G185 WeakPolarHBondContact CZ-O 3.46Å
186	V	98.2	Very high	93.2	Very high	15 Å²	15	41.4 Å²	41.4	9%	0.091	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	143.7	173.1	69.2	0	0	0	0	109.1	A137 K138 L140 G159 F161 L164 F172	A137-V186 HydrophobicContact CB-CB 3.95Å; A137-V186 HydrophobicContact CB-CG1 4Å; K138-V186 PolarHBondContact O-N 2.72Å; L140-V186 PolarHBondContact N-O 2.76Å; G159-V186 CarbonylContact O-C 3.56Å; G159-V186 WeakPolarHBondContact O-CA 3.21Å; F161-V186 HydrophobicContact CD2-CG2 3.76Å; F161-V186 HydrophobicContact CE2-CG2 4.17Å; L164-V186 HydrophobicContact CD2-CG2 3.55Å; F172-V186 HydrophobicContact CE1-CB 4.27Å
187	S	98.1	Very high	93.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	133.4	176.5	-164.8	0	0	0	0	111.9	L140 G159 F160 F161 N189 V192	L140-S187 WeakPolarHBondContact O-CB 3.24Å; L140-S187 PolarHBondContact O-OG 3.41Å; G159-S187 PolarHBondContact O-N 3.22Å; F160-S187 WeakPolarHBondContact CA-O 3.37Å; F161-S187 PolarHBondContact N-O 2.88Å; S187-N189 PolarHBondContact OG-N 3.09Å; S187-V192 WeakPolarHBondContact OG-CB 3.35Å; S187-V192 WeakPolarHBondContact OG-CG1 3.48Å
188	S	97.5	Very high	93.8	Very high	52 Å²	52	48.8 Å²	48.8	36%	0.364	29%	0.288	S	S	.	.			trans	-102.6	-0.3	164.8	59.9	0	0	0	0	112.6	F161 A190	F161-S188 WeakPolarHBondContact O-CA 3.49Å; F161-S188 WeakPolarHBondContact O-CB 3.41Å; S188-A190 PolarHBondContact O-N 2.99Å
189	N	97.3	Very high	94.2	Very high	46 Å²	46	55.2 Å²	55.2	25%	0.246	31%	0.309	C	S	.	.			trans	-76	122.2	-176	-177.7	-57	0	0	0	110.9	T141 S187 D191 V192 I193	T141-N189 PolarHBondContact O-ND2 3.16Å; S187-N189 PolarHBondContact OG-N 3.09Å; N189-D191 VanDerWaalsContact C-N 3.31Å; N189-D191 PolarHBondContact O-N 3.14Å; N189-D191 WeakPolarHBondContact OD1-CA 3.16Å; N189-D191 VanDerWaalsContact OD1-CB 3.31Å; N189-D191 WeakPolarHBondContact OD1-CB 3.35Å; N189-D191 PolarHBondContact OD1-N 3.5Å; N189-V192 HydrophobicContact CB-CB 4.14Å; N189-V192 HydrophobicContact CB-CG2 3.84Å; N189-V192 WeakPolarHBondContact O-CB 3.47Å; N189-V192 PolarHBondContact O-N 3.48Å; N189-V192 VanDerWaalsContact O-N 3.15Å; N189-V192 PolarHBondContact OD1-N 2.87Å; N189-I193 WeakPolarHBondContact O-CG1 3.5Å; N189-I193 PolarHBondContact O-N 3.21Å
190	A	96.1	Very high	94.4	Very high	72 Å²	72	57.6 Å²	57.6	60%	0.595	32%	0.322	S	S	*	.	H	α-helix	trans	-60.3	-34	-177.7	0	0	0	0	0	114.2	S188 I193 A194	S188-A190 PolarHBondContact O-N 2.99Å; A190-I193 PolarHBondContact O-N 3.07Å; A190-A194 VanDerWaalsContact O-CB 3.31Å; A190-A194 WeakPolarHBondContact O-CB 3.39Å; A190-A194 PolarHBondContact O-N 3.36Å
191	D	97.5	Very high	95.2	Very high	115 Å²	115	56.5 Å²	56.5	62%	0.615	32%	0.316	S	S	*	.	H	α-helix	trans	-70.4	-37.4	177.8	-61.8	-34.4	0	0	0	111.1	V143 N189 A194 K195	V143-D191 HydrophobicContact CG2-CB 4.02Å; N189-D191 VanDerWaalsContact C-N 3.31Å; N189-D191 PolarHBondContact O-N 3.14Å; N189-D191 WeakPolarHBondContact OD1-CA 3.16Å; N189-D191 VanDerWaalsContact OD1-CB 3.31Å; N189-D191 WeakPolarHBondContact OD1-CB 3.35Å; N189-D191 PolarHBondContact OD1-N 3.5Å; D191-A194 PolarHBondContact O-N 3.2Å; D191-K195 VanDerWaalsContact O-CB 3.26Å; D191-K195 WeakPolarHBondContact O-CB 3.33Å; D191-K195 PolarHBondContact O-N 3Å
192	V	97.6	Very high	95.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.9	-46.6	174.4	178.4	0	0	0	0	110.2	S142 V143 A146 F160 S187 N189 A194 K195 Y196	S142-V192 WeakPolarHBondContact O-CG2 3.34Å; V143-V192 HydrophobicContact CG2-CG2 4.24Å; A146-V192 HydrophobicContact CB-CG1 3.93Å; F160-V192 HydrophobicContact CE1-CG1 4.01Å; S187-V192 WeakPolarHBondContact OG-CB 3.35Å; S187-V192 WeakPolarHBondContact OG-CG1 3.48Å; N189-V192 HydrophobicContact CB-CB 4.14Å; N189-V192 HydrophobicContact CB-CG2 3.84Å; N189-V192 WeakPolarHBondContact O-CB 3.47Å; N189-V192 PolarHBondContact O-N 3.48Å; N189-V192 VanDerWaalsContact O-N 3.15Å; N189-V192 PolarHBondContact OD1-N 2.87Å; V192-A194 VanDerWaalsContact C-N 3.34Å; V192-A194 PolarHBondContact O-N 2.9Å; V192-K195 PolarHBondContact O-N 3.36Å; V192-Y196 HydrophobicContact CG1-CD2 4.17Å; V192-Y196 HydrophobicContact CG1-CE2 4.23Å; V192-Y196 VanDerWaalsContact O-CD2 3.31Å; V192-Y196 WeakPolarHBondContact O-CD2 3.47Å; V192-Y196 PolarHBondContact O-N 2.76Å
193	I	96.4	Very high	96.3	Very high	22 Å²	22	50.9 Å²	50.9	11%	0.113	28%	0.283	C	S	.	.	H	α-helix	trans	-57.4	-47.4	175.7	-64.8	168.8	0	0	0	110.6	F160 N189 A190 E197 A198	F160-I193 HydrophobicContact CB-CG1 4.16Å; F160-I193 HydrophobicContact CD1-CB 4.43Å; F160-I193 HydrophobicContact CD1-CG1 3.84Å; F160-I193 HydrophobicContact CG-CG1 4.45Å; N189-I193 WeakPolarHBondContact O-CG1 3.5Å; N189-I193 PolarHBondContact O-N 3.21Å; A190-I193 PolarHBondContact O-N 3.07Å; I193-E197 PolarHBondContact O-N 3.01Å; I193-A198 HydrophobicContact CG2-CB 4.28Å; I193-A198 WeakPolarHBondContact CG2-O 3.44Å; I193-A198 PolarHBondContact O-N 3.46Å
194	A	96.3	Very high	96.6	Very high	70 Å²	70	48.7 Å²	48.7	58%	0.579	27%	0.269	S	S	*	.	H	α-helix	trans	-64.8	-42.8	179.7	0	0	0	0	0	112.6	A190 D191 V192 Y196 E197	A190-A194 VanDerWaalsContact O-CB 3.31Å; A190-A194 WeakPolarHBondContact O-CB 3.39Å; A190-A194 PolarHBondContact O-N 3.36Å; D191-A194 PolarHBondContact O-N 3.2Å; V192-A194 VanDerWaalsContact C-N 3.34Å; V192-A194 PolarHBondContact O-N 2.9Å; A194-Y196 VanDerWaalsContact C-N 3.29Å; A194-Y196 PolarHBondContact O-N 3.44Å; A194-E197 PolarHBondContact O-N 3.43Å; A194-E197 VanDerWaalsContact O-N 3.13Å
195	K	96.9	Very high	96.7	Very high	107 Å²	107	48.3 Å²	48.3	47%	0.465	27%	0.268	S	S	.	.	H	α-helix	trans	-56.8	-39.9	179.4	170	66.5	174.3	-159.5	0	112.9	V143 E147 D191 V192	V143-K195 HydrophobicContact CG1-CD 4.27Å; V143-K195 HydrophobicContact CG1-CG 4.05Å; V143-K195 HydrophobicContact CG2-CB 4.22Å; E147-K195 WeakPolarHBondContact OE1-CE 3.47Å; E147-K195 IonicContact OE1-NZ 2.76Å; E147-K195 PolarHBondContact OE1-NZ 2.79Å; D191-K195 VanDerWaalsContact O-CB 3.26Å; D191-K195 WeakPolarHBondContact O-CB 3.33Å; D191-K195 PolarHBondContact O-N 3Å; V192-K195 PolarHBondContact O-N 3.36Å
196	Y	96	Very high	96.7	Very high	27 Å²	27	49.4 Å²	49.4	11%	0.106	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	5.6	-178.8	-66.2	-71.5	0	0	0	113.7	A146 E147 L150 F160 V192 A194 A198 F206	A146-Y196 HydrophobicContact CB-CE2 3.66Å; E147-Y196 PolarHBondContact N-OH 3.05Å; L150-Y196 HydrophobicContact CD1-CD1 4.39Å; L150-Y196 HydrophobicContact CD1-CE1 3.4Å; L150-Y196 VanDerWaalsContact CD1-CE1 3.4Å; L150-Y196 WeakPolarHBondContact CD1-OH 3.14Å; F160-Y196 HydrophobicContact CE1-CD2 4.06Å; F160-Y196 HydrophobicContact CZ-CD2 4.06Å; F160-Y196 HydrophobicContact CZ-CG 4.16Å; V192-Y196 HydrophobicContact CG1-CD2 4.17Å; V192-Y196 HydrophobicContact CG1-CE2 4.23Å; V192-Y196 VanDerWaalsContact O-CD2 3.31Å; V192-Y196 WeakPolarHBondContact O-CD2 3.47Å; V192-Y196 PolarHBondContact O-N 2.76Å; A194-Y196 VanDerWaalsContact C-N 3.29Å; A194-Y196 PolarHBondContact O-N 3.44Å; Y196-A198 PolarHBondContact O-N 2.75Å; Y196-F206 AromaticContact CD1-CE1 3.49Å; Y196-F206 HydrophobicContact CD1-CE1 3.49Å; Y196-F206 VanDerWaalsContact CD1-CE1 3.49Å; Y196-F206 AromaticContact CD1-CZ 3.48Å; Y196-F206 HydrophobicContact CD1-CZ 3.48Å; Y196-F206 VanDerWaalsContact CD1-CZ 3.48Å; Y196-F206 AromaticContact CE1-CE1 3.87Å; Y196-F206 HydrophobicContact CE1-CE1 3.87Å; Y196-F206 HydrophobicContact CE1-CZ 4.04Å; Y196-F206 HydrophobicContact CG-CE1 4.32Å; Y196-F206 AromaticContact CG-CZ 3.86Å; Y196-F206 HydrophobicContact CG-CZ 3.86Å
197	E	95.7	Very high	96.6	Very high	157 Å²	157	49.4 Å²	49.4	73%	0.734	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	33.1	-178.3	-52.8	168	154.3	0	0	111.8	I193 A194 K213	I193-E197 PolarHBondContact O-N 3.01Å; A194-E197 PolarHBondContact O-N 3.43Å; A194-E197 VanDerWaalsContact O-N 3.13Å; E197-K213 IonicContact OE2-NZ 3.07Å; E197-K213 PolarHBondContact OE2-NZ 2.96Å
198	A	95	Very high	96.5	Very high	19 Å²	19	53 Å²	53	16%	0.157	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-80	152.7	-177.5	0	0	0	0	0	111	F160 I193 Y196	F160-A198 HydrophobicContact CB-CB 3.99Å; F160-A198 HydrophobicContact CD1-CB 3.8Å; F160-A198 HydrophobicContact CD2-CB 3.46Å; F160-A198 VanDerWaalsContact CD2-CB 3.46Å; F160-A198 HydrophobicContact CE1-CB 4.06Å; F160-A198 HydrophobicContact CE2-CB 3.78Å; F160-A198 HydrophobicContact CG-CB 3.47Å; F160-A198 VanDerWaalsContact CG-CB 3.47Å; F160-A198 HydrophobicContact CZ-CB 4.06Å; I193-A198 HydrophobicContact CG2-CB 4.28Å; I193-A198 WeakPolarHBondContact CG2-O 3.44Å; I193-A198 PolarHBondContact O-N 3.46Å; Y196-A198 PolarHBondContact O-N 2.75Å
199	K	93.7	Very high	96.4	Very high	171 Å²	171	52.6 Å²	52.6	74%	0.743	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-89.1	158.4	168.1	-63.4	178	-174.4	169.5	0	109.3	G202	K199-G202 WeakPolarHBondContact O-CA 3.26Å; K199-G202 PolarHBondContact O-N 3.43Å
200	D	92.6	Very high	96.3	Very high	68 Å²	68	52.9 Å²	52.9	36%	0.364	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	140.7	165.1	-162.5	18	0	0	0	109.7	K162 G202	K162-D200 VanDerWaalsContact CD-OD2 3.31Å; K162-D200 WeakPolarHBondContact CD-OD2 3.34Å; K162-D200 VanDerWaalsContact CE-OD2 3.31Å; K162-D200 WeakPolarHBondContact CE-OD2 3.43Å; K162-D200 WeakPolarHBondContact CG-OD1 3.2Å; K162-D200 PolarHBondContact N-OD1 3.32Å; K162-D200 IonicContact NZ-OD2 2.77Å; K162-D200 PolarHBondContact NZ-OD2 3.32Å; D200-G202 PolarHBondContact O-N 3.08Å
201	N	94.9	Very high	96.3	Very high	59 Å²	59	54.3 Å²	54.3	32%	0.316	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	16.6	-166.7	-61	-13.8	0	0	0	114.9	F160 F161 E168	F160-N201 WeakPolarHBondContact O-CA 3.18Å; F160-N201 PolarHBondContact O-N 2.88Å; F161-N201 HydrophobicContact CD1-CB 4.27Å; F161-N201 HydrophobicContact CE1-CB 4.42Å; E168-N201 HydrophobicContact CB-CB 4.44Å; E168-N201 HydrophobicContact CG-CB 4.33Å; E168-N201 PolarHBondContact OE1-ND2 3.13Å
202	G	97.2	Very high	96.2	Very high	11 Å²	11	55.6 Å²	55.6	11%	0.113	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	142.8	178.4	0	0	0	0	0	111.8	F160 K199 D200	F160-G202 WeakPolarHBondContact CD2-O 3.32Å; F160-G202 PolarHBondContact N-O 3.49Å; F160-G202 PolarHBondContact O-N 3.48Å; K199-G202 WeakPolarHBondContact O-CA 3.26Å; K199-G202 PolarHBondContact O-N 3.43Å; D200-G202 PolarHBondContact O-N 3.08Å
203	V	98.6	Very high	96.2	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.7	168.8	179.8	0	0	0	0	108.7	I157 I158 F161 F172 F216 L220 L225	I157-V203 HydrophobicContact CG2-CG1 3.55Å; I158-V203 WeakPolarHBondContact O-CA 2.93Å; F161-V203 HydrophobicContact CZ-CG2 3.99Å; F172-V203 HydrophobicContact CD2-CG1 4.08Å; F172-V203 HydrophobicContact CD2-CG2 3.72Å; F172-V203 HydrophobicContact CE2-CG1 3.71Å; F172-V203 HydrophobicContact CE2-CG2 4.09Å; V203-F216 HydrophobicContact CB-CB 3.82Å; V203-F216 HydrophobicContact CB-CG 4.44Å; V203-F216 HydrophobicContact CG1-CB 4.46Å; V203-F216 WeakPolarHBondContact O-CB 3.35Å; V203-F216 PolarHBondContact O-N 3.2Å; V203-L220 HydrophobicContact CG2-CD1 3.81Å; V203-L225 HydrophobicContact CB-CD1 4.46Å; V203-L225 HydrophobicContact CG1-CD1 3.87Å
204	V	98.6	Very high	96.2	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.024	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	128	-178.5	-173.2	0	0	0	0	109.5	I157 I158 F160 F206 K213 S214 V215	I157-V204 WeakPolarHBondContact CA-O 3.29Å; I158-V204 PolarHBondContact N-O 3.42Å; I158-V204 PolarHBondContact O-N 2.95Å; F160-V204 HydrophobicContact CD2-CG2 4.19Å; F160-V204 HydrophobicContact CE2-CB 3.98Å; F160-V204 HydrophobicContact CE2-CG2 3.72Å; V204-F206 HydrophobicContact CB-CD2 4.45Å; V204-F206 HydrophobicContact CB-CE2 3.73Å; V204-F206 HydrophobicContact CB-CZ 4.03Å; V204-F206 HydrophobicContact CG1-CD2 4.15Å; V204-F206 HydrophobicContact CG1-CE1 4.12Å; V204-F206 HydrophobicContact CG1-CE2 3.62Å; V204-F206 HydrophobicContact CG1-CZ 3.62Å; V204-K213 HydrophobicContact CG1-CB 3.96Å; V204-K213 HydrophobicContact CG1-CD 4.49Å; V204-S214 CarbonylContact C-O 3.52Å; V204-S214 WeakPolarHBondContact CA-O 3.47Å; V204-S214 WeakPolarHBondContact CG1-O 3.21Å; V204-V215 HydrophobicContact CG2-CG2 4.3Å
205	L	98.4	Very high	96.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.1	168.8	-176.1	152.5	0	0	0	109	I155 A156 I157 K207 K213 S214 F228 Q232	I155-L205 HydrophobicContact CG2-CD1 4.35Å; I155-L205 HydrophobicContact CG2-CD2 4.2Å; I155-L205 HydrophobicContact CG2-CG 4.31Å; A156-L205 CarbonylContact O-C 3.58Å; A156-L205 WeakPolarHBondContact O-CA 3.38Å; I157-L205 HydrophobicContact CD1-CD1 4.05Å; I157-L205 HydrophobicContact CG1-CB 4.18Å; I157-L205 HydrophobicContact CG1-CD1 3.85Å; I157-L205 HydrophobicContact CG1-CG 3.97Å; L205-K207 HydrophobicContact CD2-CB 4.04Å; L205-K207 HydrophobicContact CD2-CD 3.53Å; L205-K207 HydrophobicContact CD2-CG 4.28Å; L205-K213 CarbonylContact O-C 3.53Å; L205-K213 VanDerWaalsContact O-CA 3.22Å; L205-K213 WeakPolarHBondContact O-CA 3.37Å; L205-S214 PolarHBondContact N-O 3.11Å; L205-S214 PolarHBondContact O-N 3Å; L205-F228 HydrophobicContact CB-CE1 3.71Å; L205-F228 HydrophobicContact CB-CZ 3.9Å; L205-Q232 HydrophobicContact CD1-CB 4.01Å; L205-Q232 HydrophobicContact CD2-CB 4.33Å; L205-Q232 WeakPolarHBondContact CD2-O 3.36Å
206	F	98.4	Very high	96.3	Very high	23 Å²	23	55.2 Å²	55.2	10%	0.101	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	140.4	176.4	-64.1	-91.1	0	0	0	110	L150 I155 A156 I158 F160 Y196 V204 K213	L150-F206 HydrophobicContact CD1-CB 4.43Å; L150-F206 HydrophobicContact CD1-CD1 3.73Å; L150-F206 HydrophobicContact CD1-CD2 4.19Å; L150-F206 HydrophobicContact CD1-CE1 3.95Å; L150-F206 HydrophobicContact CD1-CE2 4.38Å; L150-F206 HydrophobicContact CD1-CG 3.85Å; L150-F206 HydrophobicContact CD1-CZ 4.26Å; L150-F206 HydrophobicContact CD2-CB 3.69Å; L150-F206 HydrophobicContact CD2-CD1 4.4Å; L150-F206 HydrophobicContact CD2-CD2 3.69Å; L150-F206 HydrophobicContact CD2-CE2 4.42Å; L150-F206 HydrophobicContact CD2-CG 3.66Å; L150-F206 HydrophobicContact CG-CG 4.43Å; I155-F206 WeakPolarHBondContact CA-O 3.43Å; A156-F206 PolarHBondContact N-O 2.95Å; A156-F206 VanDerWaalsContact N-O 3.1Å; A156-F206 PolarHBondContact O-N 2.93Å; I158-F206 HydrophobicContact CB-CE2 4.09Å; I158-F206 HydrophobicContact CD1-CD2 4.1Å; I158-F206 HydrophobicContact CD1-CE2 3.76Å; I158-F206 HydrophobicContact CG1-CD2 4.2Å; I158-F206 HydrophobicContact CG1-CE2 4.01Å; F160-F206 HydrophobicContact CZ-CE2 4.48Å; F160-F206 HydrophobicContact CZ-CZ 4.49Å; Y196-F206 AromaticContact CD1-CE1 3.49Å; Y196-F206 HydrophobicContact CD1-CE1 3.49Å; Y196-F206 VanDerWaalsContact CD1-CE1 3.49Å; Y196-F206 AromaticContact CD1-CZ 3.48Å; Y196-F206 HydrophobicContact CD1-CZ 3.48Å; Y196-F206 VanDerWaalsContact CD1-CZ 3.48Å; Y196-F206 AromaticContact CE1-CE1 3.87Å; Y196-F206 HydrophobicContact CE1-CE1 3.87Å; Y196-F206 HydrophobicContact CE1-CZ 4.04Å; Y196-F206 HydrophobicContact CG-CE1 4.32Å; Y196-F206 AromaticContact CG-CZ 3.86Å; Y196-F206 HydrophobicContact CG-CZ 3.86Å; V204-F206 HydrophobicContact CB-CD2 4.45Å; V204-F206 HydrophobicContact CB-CE2 3.73Å; V204-F206 HydrophobicContact CB-CZ 4.03Å; V204-F206 HydrophobicContact CG1-CD2 4.15Å; V204-F206 HydrophobicContact CG1-CE1 4.12Å; V204-F206 HydrophobicContact CG1-CE2 3.62Å; V204-F206 HydrophobicContact CG1-CZ 3.62Å; F206-K213 HydrophobicContact CD1-CB 4.14Å; F206-K213 HydrophobicContact CE1-CB 4.28Å
207	K	97	Very high	96.2	Very high	15 Å²	15	62 Å²	62	7%	0.065	31%	0.311	C	S	.	.			trans	-155.7	161.4	-174.4	67.1	-149.8	-163.3	-177.9	0	111.4	I155 L205 F209 K212 S214 Q232	I155-K207 HydrophobicContact CG1-CB 4.4Å; L205-K207 HydrophobicContact CD2-CB 4.04Å; L205-K207 HydrophobicContact CD2-CD 3.53Å; L205-K207 HydrophobicContact CD2-CG 4.28Å; K207-F209 HydrophobicContact CB-CD2 4.41Å; K207-F209 HydrophobicContact CB-CE1 4.06Å; K207-F209 HydrophobicContact CB-CE2 3.96Å; K207-F209 HydrophobicContact CB-CZ 3.74Å; K207-F209 HydrophobicContact CD-CD2 3.95Å; K207-F209 HydrophobicContact CD-CE2 3.33Å; K207-F209 HydrophobicContact CD-CZ 3.85Å; K207-F209 VanDerWaalsContact CE-CE2 3.47Å; K207-F209 HydrophobicContact CG-CD2 3.85Å; K207-F209 HydrophobicContact CG-CE2 3.61Å; K207-F209 HydrophobicContact CG-CG 4.42Å; K207-F209 HydrophobicContact CG-CZ 3.95Å; K207-K212 PolarHBondContact N-O 2.85Å; K207-K212 CarbonylContact O-C 3.59Å; K207-K212 WeakPolarHBondContact O-CA 3.49Å; K207-S214 PolarHBondContact NZ-OG 3.36Å; K207-Q232 VanDerWaalsContact CD-O 3.23Å; K207-Q232 WeakPolarHBondContact CD-O 3.35Å; K207-Q232 PolarHBondContact NZ-O 3.48Å
208	P	95.8	Very high	96.1	Very high	76 Å²	76	57.8 Å²	57.8	49%	0.494	31%	0.31	S	S	.	.	S	Bend	trans	-87.2	-9.2	-176.3	35.6	-38	0	0	0	114.2	E154	E154-P208 HydrophobicContact CG-CG 3.64Å; E154-P208 WeakPolarHBondContact O-CD 3.32Å
209	F	95.3	Very high	96.1	Very high	42 Å²	42	63.5 Å²	63.5	18%	0.184	33%	0.334	C	S	.	.	S	Bend	trans	-112.3	171.1	-174.1	49.7	-104.7	0	0	0	112.7	I155 K207 D211 K212 S233 L234 P235	I155-F209 HydrophobicContact CD1-CE1 4.25Å; I155-F209 HydrophobicContact CD1-CZ 4.38Å; K207-F209 HydrophobicContact CB-CD2 4.41Å; K207-F209 HydrophobicContact CB-CE1 4.06Å; K207-F209 HydrophobicContact CB-CE2 3.96Å; K207-F209 HydrophobicContact CB-CZ 3.74Å; K207-F209 HydrophobicContact CD-CD2 3.95Å; K207-F209 HydrophobicContact CD-CE2 3.33Å; K207-F209 HydrophobicContact CD-CZ 3.85Å; K207-F209 VanDerWaalsContact CE-CE2 3.47Å; K207-F209 HydrophobicContact CG-CD2 3.85Å; K207-F209 HydrophobicContact CG-CE2 3.61Å; K207-F209 HydrophobicContact CG-CG 4.42Å; K207-F209 HydrophobicContact CG-CZ 3.95Å; F209-D211 PolarHBondContact O-N 2.78Å; F209-K212 WeakPolarHBondContact O-CA 3.22Å; F209-K212 PolarHBondContact O-N 3.23Å; F209-S233 WeakPolarHBondContact CZ-O 3.33Å; F209-L234 WeakPolarHBondContact CE2-O 3.36Å; F209-P235 HydrophobicContact CB-CB 4.38Å; F209-P235 HydrophobicContact CD1-CB 4.38Å; F209-P235 VanDerWaalsContact CD2-CA 3.48Å; F209-P235 HydrophobicContact CD2-CB 3.76Å; F209-P235 VanDerWaalsContact CE2-CA 3.44Å; F209-P235 HydrophobicContact CE2-CB 4.1Å; F209-P235 VanDerWaalsContact CE2-N 3.33Å; F209-P235 HydrophobicContact CG-CB 3.91Å
210	D	95.1	Very high	96.2	Very high	53 Å²	53	56.7 Å²	56.7	28%	0.283	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	-127.9	-178.8	-51.3	-38.9	0	0	0	112.3	K212 P235 L236	D210-K212 PolarHBondContact O-N 2.89Å; D210-P235 VanDerWaalsContact OD2-CA 3.31Å; D210-P235 WeakPolarHBondContact OD2-CA 3.38Å; D210-L236 HydrophobicContact CB-CD1 4.26Å; D210-L236 HydrophobicContact CB-CG 4.4Å; D210-L236 WeakPolarHBondContact OD2-CG 3.06Å; D210-L236 PolarHBondContact OD2-N 2.93Å
211	D	94.6	Very high	96.4	Very high	101 Å²	101	55.5 Å²	55.5	54%	0.54	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	0.7	-179.7	-63.9	-35.6	0	0	0	113.8	F209 K213 K280	F209-D211 PolarHBondContact O-N 2.78Å; D211-K213 PolarHBondContact O-N 3.02Å; D211-K280 IonicContact OD1-NZ 2.67Å; D211-K280 IonicContact OD2-NZ 2.72Å; D211-K280 PolarHBondContact OD2-NZ 3.24Å
212	K	96.6	Very high	96.3	Very high	143 Å²	143	55.5 Å²	55.5	62%	0.622	30%	0.297	S	S	*	.	S	Bend	trans	62.2	-18.7	-178.5	-52.6	-179.4	-179.2	-179.4	0	116.8	K207 F209 D210	K207-K212 PolarHBondContact N-O 2.85Å; K207-K212 CarbonylContact O-C 3.59Å; K207-K212 WeakPolarHBondContact O-CA 3.49Å; F209-K212 WeakPolarHBondContact O-CA 3.22Å; F209-K212 PolarHBondContact O-N 3.23Å; D210-K212 PolarHBondContact O-N 2.89Å
213	K	96.5	Very high	96.2	Very high	72 Å²	72	62.1 Å²	62.1	31%	0.313	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	149.5	169.5	68.6	179.5	-176.5	179.7	0	110.9	E197 V204 L205 F206 D211	E197-K213 IonicContact OE2-NZ 3.07Å; E197-K213 PolarHBondContact OE2-NZ 2.96Å; V204-K213 HydrophobicContact CG1-CB 3.96Å; V204-K213 HydrophobicContact CG1-CD 4.49Å; L205-K213 CarbonylContact O-C 3.53Å; L205-K213 VanDerWaalsContact O-CA 3.22Å; L205-K213 WeakPolarHBondContact O-CA 3.37Å; F206-K213 HydrophobicContact CD1-CB 4.14Å; F206-K213 HydrophobicContact CE1-CB 4.28Å; D211-K213 PolarHBondContact O-N 3.02Å
214	S	97.1	Very high	96	Very high	15 Å²	15	64.8 Å²	64.8	11%	0.105	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128.3	171.3	-61.3	0	0	0	0	107.6	V204 L205 K207 F228 Q232	V204-S214 CarbonylContact C-O 3.52Å; V204-S214 WeakPolarHBondContact CA-O 3.47Å; V204-S214 WeakPolarHBondContact CG1-O 3.21Å; L205-S214 PolarHBondContact N-O 3.11Å; L205-S214 PolarHBondContact O-N 3Å; K207-S214 PolarHBondContact NZ-OG 3.36Å; S214-F228 WeakPolarHBondContact O-CZ 3.48Å; S214-Q232 PolarHBondContact OG-OE1 2.94Å; S214-Q232 VanDerWaalsContact OG-OE1 3.11Å
215	V	97.8	Very high	95.9	Very high	81 Å²	81	64.6 Å²	64.6	49%	0.491	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	132.6	177.7	-177.5	0	0	0	0	107.8	V204	V204-V215 HydrophobicContact CG2-CG2 4.3Å
216	F	97.7	Very high	95.7	Very high	23 Å²	23	67.5 Å²	67.5	10%	0.101	35%	0.351	C	S	.	.			trans	-67.6	132.2	172.8	179.3	-96.5	0	0	0	109.9	V203 E219 L220 N224 L225 F228	V203-F216 HydrophobicContact CB-CB 3.82Å; V203-F216 HydrophobicContact CB-CG 4.44Å; V203-F216 HydrophobicContact CG1-CB 4.46Å; V203-F216 WeakPolarHBondContact O-CB 3.35Å; V203-F216 PolarHBondContact O-N 3.2Å; F216-E219 WeakPolarHBondContact CZ-O 3.33Å; F216-L220 HydrophobicContact CD1-CD1 3.91Å; F216-L220 HydrophobicContact CE1-CB 4.06Å; F216-L220 HydrophobicContact CE1-CD1 3.71Å; F216-L220 HydrophobicContact CZ-CD1 4.17Å; F216-N224 HydrophobicContact CE2-CB 4.06Å; F216-N224 HydrophobicContact CZ-CB 3.92Å; F216-L225 HydrophobicContact CD2-CD1 4.04Å; F216-L225 HydrophobicContact CE2-CB 4.42Å; F216-L225 HydrophobicContact CE2-CD1 4.37Å; F216-F228 HydrophobicContact CB-CD1 4.4Å; F216-F228 HydrophobicContact CB-CD2 4.32Å; F216-F228 HydrophobicContact CB-CE1 4.16Å; F216-F228 HydrophobicContact CB-CE2 4.07Å; F216-F228 HydrophobicContact CB-CG 4.47Å; F216-F228 HydrophobicContact CB-CZ 3.99Å; F216-F228 HydrophobicContact CD2-CB 3.71Å; F216-F228 HydrophobicContact CD2-CD1 4Å; F216-F228 AromaticContact CD2-CD2 3.86Å; F216-F228 HydrophobicContact CD2-CD2 3.86Å; F216-F228 HydrophobicContact CD2-CE2 4.45Å; F216-F228 AromaticContact CD2-CG 3.6Å; F216-F228 HydrophobicContact CD2-CG 3.6Å; F216-F228 HydrophobicContact CE2-CB 4.02Å; F216-F228 HydrophobicContact CE2-CG 4.4Å
217	E	94.3	Very high	95.5	Very high	168 Å²	168	70.6 Å²	70.6	79%	0.785	36%	0.364	S	S	*	.			trans	-126.4	145.1	176.5	-61.1	-168.4	162	0	0	109.7
218	G	93.4	Very high	95.4	Very high	69 Å²	69	70.9 Å²	70.9	71%	0.711	37%	0.365	S	S	*	.	S	Bend	trans	103	-164.3	-179.2	0	0	0	0	0	113.6
219	E	94.9	Very high	95.3	Very high	140 Å²	140	67.2 Å²	67.2	65%	0.654	34%	0.342	S	S	*	.			trans	-74.6	123.9	-179.5	-175.4	-175.1	178.1	0	0	110.7	F216 N221 N224	F216-E219 WeakPolarHBondContact CZ-O 3.33Å; E219-N221 PolarHBondContact O-N 3.05Å; E219-N224 PolarHBondContact O-ND2 2.8Å
220	L	96.3	Very high	95.2	Very high	28 Å²	28	68.5 Å²	68.5	15%	0.147	35%	0.348	C	S	.	.			trans	-76.5	88.8	177.1	-169.3	74	0	0	0	110.4	F161 E168 V203 F216 L225	F161-L220 HydrophobicContact CE1-CD2 3.94Å; F161-L220 HydrophobicContact CZ-CD2 4.18Å; E168-L220 HydrophobicContact CB-CD2 3.61Å; E168-L220 HydrophobicContact CG-CD2 4.15Å; E168-L220 WeakPolarHBondContact O-CD2 3.47Å; V203-L220 HydrophobicContact CG2-CD1 3.81Å; F216-L220 HydrophobicContact CD1-CD1 3.91Å; F216-L220 HydrophobicContact CE1-CB 4.06Å; F216-L220 HydrophobicContact CE1-CD1 3.71Å; F216-L220 HydrophobicContact CZ-CD1 4.17Å; L220-L225 HydrophobicContact CD1-CB 4.44Å; L220-L225 HydrophobicContact CD1-CD1 4.34Å; L220-L225 HydrophobicContact CD1-CD2 4.06Å
221	N	95.8	Very high	95.1	Very high	42 Å²	42	66.3 Å²	66.3	23%	0.225	34%	0.337	C	S	.	.			trans	-125.9	169.6	170.3	66	45.8	0	0	0	110.3	E219 E223 N224 L225	E219-N221 PolarHBondContact O-N 3.05Å; N221-E223 PolarHBondContact O-N 3.48Å; N221-E223 PolarHBondContact OD1-N 3Å; N221-N224 PolarHBondContact ND2-ND2 2.99Å; N221-N224 VanDerWaalsContact ND2-ND2 3.1Å; N221-N224 VanDerWaalsContact OD1-CB 3.29Å; N221-N224 WeakPolarHBondContact OD1-CB 3.16Å; N221-N224 VanDerWaalsContact OD1-CG 3.27Å; N221-N224 PolarHBondContact OD1-N 3.3Å; N221-N224 PolarHBondContact OD1-ND2 3.43Å; N221-L225 WeakPolarHBondContact O-CB 3.49Å; N221-L225 PolarHBondContact O-N 2.95Å
222	E	93.7	Very high	95.1	Very high	59 Å²	59	63 Å²	63	28%	0.276	32%	0.318	S	S	.	.	H	α-helix	trans	-60.5	-43.8	-175.7	-72.7	-176	-122.5	0	0	113.8	K174 V175 K226	K174-E222 HydrophobicContact CD-CG 4.36Å; K174-E222 WeakPolarHBondContact CD-OE1 3.32Å; K174-E222 WeakPolarHBondContact CE-OE1 3.33Å; K174-E222 IonicContact NZ-OE1 2.62Å; K174-E222 PolarHBondContact NZ-OE1 2.84Å; V175-E222 HydrophobicContact CG2-CB 4.01Å; V175-E222 HydrophobicContact CG2-CG 3.82Å; E222-K226 VanDerWaalsContact O-CB 3.26Å; E222-K226 WeakPolarHBondContact O-CB 3.3Å; E222-K226 WeakPolarHBondContact O-CD 3.37Å; E222-K226 WeakPolarHBondContact O-CG 3.4Å; E222-K226 PolarHBondContact O-N 3.1Å; E222-K226 IonicContact OE2-NZ 3.94Å; E222-K226 PolarHBondContact OE2-NZ 2.88Å; E222-K226 VanDerWaalsContact OE2-NZ 3.07Å
223	E	94.3	Very high	95	Very high	150 Å²	150	56.5 Å²	56.5	70%	0.701	29%	0.291	S	S	*	.	H	α-helix	trans	-63.1	-52.1	-177.5	-176.4	-175	159.9	0	0	110.8	N221 L225 K226 K227	N221-E223 PolarHBondContact O-N 3.48Å; N221-E223 PolarHBondContact OD1-N 3Å; E223-L225 PolarHBondContact O-N 2.96Å; E223-K226 PolarHBondContact O-N 2.94Å; E223-K227 WeakPolarHBondContact O-CB 3.35Å; E223-K227 PolarHBondContact O-N 2.86Å
224	N	95.6	Very high	95	Very high	56 Å²	56	53.8 Å²	53.8	30%	0.299	28%	0.279	S	S	.	.	H	α-helix	trans	-62.6	-43.3	-179	-71.5	-16.2	0	0	0	111.5	F216 E219 N221 K227 F228	F216-N224 HydrophobicContact CE2-CB 4.06Å; F216-N224 HydrophobicContact CZ-CB 3.92Å; E219-N224 PolarHBondContact O-ND2 2.8Å; N221-N224 PolarHBondContact ND2-ND2 2.99Å; N221-N224 VanDerWaalsContact ND2-ND2 3.1Å; N221-N224 VanDerWaalsContact OD1-CB 3.29Å; N221-N224 WeakPolarHBondContact OD1-CB 3.16Å; N221-N224 VanDerWaalsContact OD1-CG 3.27Å; N221-N224 PolarHBondContact OD1-N 3.3Å; N221-N224 PolarHBondContact OD1-ND2 3.43Å; N224-K227 PolarHBondContact O-N 3.19Å; N224-F228 VanDerWaalsContact O-CB 3.28Å; N224-F228 WeakPolarHBondContact O-CB 3.32Å; N224-F228 PolarHBondContact O-N 2.99Å
225	L	96.2	Very high	94.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-71.5	-36.5	-179	-176	60.8	0	0	0	112	F172 V175 V203 F216 L220 N221 E223 F228 A229	F172-L225 HydrophobicContact CD2-CD2 3.83Å; V175-L225 HydrophobicContact CB-CD2 3.78Å; V175-L225 HydrophobicContact CB-CG 4.34Å; V175-L225 HydrophobicContact CG1-CB 4.37Å; V175-L225 HydrophobicContact CG1-CD2 3.87Å; V175-L225 HydrophobicContact CG1-CG 3.92Å; V175-L225 HydrophobicContact CG2-CB 4.23Å; V175-L225 HydrophobicContact CG2-CD2 3.95Å; V175-L225 HydrophobicContact CG2-CG 4.39Å; V203-L225 HydrophobicContact CB-CD1 4.46Å; V203-L225 HydrophobicContact CG1-CD1 3.87Å; F216-L225 HydrophobicContact CD2-CD1 4.04Å; F216-L225 HydrophobicContact CE2-CB 4.42Å; F216-L225 HydrophobicContact CE2-CD1 4.37Å; L220-L225 HydrophobicContact CD1-CB 4.44Å; L220-L225 HydrophobicContact CD1-CD1 4.34Å; L220-L225 HydrophobicContact CD1-CD2 4.06Å; N221-L225 WeakPolarHBondContact O-CB 3.49Å; N221-L225 PolarHBondContact O-N 2.95Å; E223-L225 PolarHBondContact O-N 2.96Å; L225-F228 HydrophobicContact CD1-CD1 3.97Å; L225-F228 PolarHBondContact O-N 3.28Å; L225-A229 WeakPolarHBondContact O-CB 3.45Å; L225-A229 PolarHBondContact O-N 3.06Å
226	K	93.4	Very high	94.9	Very high	62 Å²	62	51.3 Å²	51.3	27%	0.27	26%	0.264	S	S	.	.	H	α-helix	trans	-62.3	-48	172.6	-75	170.4	-175.3	166.4	0	111.2	V175 L179 E222 E223 F228 A229 Q230	V175-K226 HydrophobicContact CG1-CG 3.94Å; L179-K226 HydrophobicContact CD1-CB 4.45Å; L179-K226 HydrophobicContact CD1-CG 4.01Å; L179-K226 HydrophobicContact CD2-CG 4.19Å; L179-K226 HydrophobicContact CG-CG 4.16Å; E222-K226 VanDerWaalsContact O-CB 3.26Å; E222-K226 WeakPolarHBondContact O-CB 3.3Å; E222-K226 WeakPolarHBondContact O-CD 3.37Å; E222-K226 WeakPolarHBondContact O-CG 3.4Å; E222-K226 PolarHBondContact O-N 3.1Å; E222-K226 IonicContact OE2-NZ 3.94Å; E222-K226 PolarHBondContact OE2-NZ 2.88Å; E222-K226 VanDerWaalsContact OE2-NZ 3.07Å; E223-K226 PolarHBondContact O-N 2.94Å; K226-F228 VanDerWaalsContact C-N 3.34Å; K226-F228 PolarHBondContact O-N 2.81Å; K226-A229 PolarHBondContact O-N 2.71Å; K226-Q230 VanDerWaalsContact O-CG 3.32Å; K226-Q230 WeakPolarHBondContact O-CG 3.21Å; K226-Q230 PolarHBondContact O-N 2.81Å
227	K	93.2	Very high	94.9	Very high	87 Å²	87	51.3 Å²	51.3	38%	0.378	27%	0.265	S	S	.	.	H	α-helix	trans	-58.6	-46.8	175	-177.1	179.3	178.3	-177.8	0	111	E223 N224 A229 Q230 V231	E223-K227 WeakPolarHBondContact O-CB 3.35Å; E223-K227 PolarHBondContact O-N 2.86Å; N224-K227 PolarHBondContact O-N 3.19Å; K227-A229 PolarHBondContact O-N 3.44Å; K227-Q230 PolarHBondContact O-N 2.83Å; K227-V231 HydrophobicContact CG-CG2 4.11Å; K227-V231 WeakPolarHBondContact O-CB 3.45Å; K227-V231 WeakPolarHBondContact O-CG2 3.46Å; K227-V231 PolarHBondContact O-N 3.4Å
228	F	95.7	Very high	95.1	Very high	21 Å²	21	43.5 Å²	43.5	9%	0.092	23%	0.228	C	C	.	.	H	α-helix	trans	-57.1	-48.3	176.9	170.2	-96.7	0	0	0	112	L205 S214 F216 N224 L225 K226 Q230 Q232	L205-F228 HydrophobicContact CB-CE1 3.71Å; L205-F228 HydrophobicContact CB-CZ 3.9Å; S214-F228 WeakPolarHBondContact O-CZ 3.48Å; F216-F228 HydrophobicContact CB-CD1 4.4Å; F216-F228 HydrophobicContact CB-CD2 4.32Å; F216-F228 HydrophobicContact CB-CE1 4.16Å; F216-F228 HydrophobicContact CB-CE2 4.07Å; F216-F228 HydrophobicContact CB-CG 4.47Å; F216-F228 HydrophobicContact CB-CZ 3.99Å; F216-F228 HydrophobicContact CD2-CB 3.71Å; F216-F228 HydrophobicContact CD2-CD1 4Å; F216-F228 AromaticContact CD2-CD2 3.86Å; F216-F228 HydrophobicContact CD2-CD2 3.86Å; F216-F228 HydrophobicContact CD2-CE2 4.45Å; F216-F228 AromaticContact CD2-CG 3.6Å; F216-F228 HydrophobicContact CD2-CG 3.6Å; F216-F228 HydrophobicContact CE2-CB 4.02Å; F216-F228 HydrophobicContact CE2-CG 4.4Å; N224-F228 VanDerWaalsContact O-CB 3.28Å; N224-F228 WeakPolarHBondContact O-CB 3.32Å; N224-F228 PolarHBondContact O-N 2.99Å; L225-F228 HydrophobicContact CD1-CD1 3.97Å; L225-F228 PolarHBondContact O-N 3.28Å; K226-F228 VanDerWaalsContact C-N 3.34Å; K226-F228 PolarHBondContact O-N 2.81Å; F228-Q230 PolarHBondContact O-N 3.46Å; F228-Q232 HydrophobicContact CD2-CB 4.42Å; F228-Q232 HydrophobicContact CD2-CG 3.56Å; F228-Q232 HydrophobicContact CE2-CB 4.28Å; F228-Q232 HydrophobicContact CE2-CG 3.57Å; F228-Q232 HydrophobicContact CG-CG 4.22Å; F228-Q232 HydrophobicContact CZ-CB 4.46Å; F228-Q232 HydrophobicContact CZ-CG 4.23Å; F228-Q232 WeakPolarHBondContact O-CA 3.28Å; F228-Q232 WeakPolarHBondContact O-CB 3.44Å; F228-Q232 VanDerWaalsContact O-CG 3.3Å; F228-Q232 WeakPolarHBondContact O-CG 3.34Å; F228-Q232 PolarHBondContact O-N 3.48Å
229	A	94.5	Very high	95.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.4	-47.6	177.4	0	0	0	0	0	111.7	I157 L179 F182 L225 K226 K227 S233	I157-A229 HydrophobicContact CD1-CB 3.54Å; L179-A229 HydrophobicContact CD1-CB 3.81Å; F182-A229 HydrophobicContact CD2-CB 4.22Å; F182-A229 HydrophobicContact CE2-CB 4.09Å; L225-A229 WeakPolarHBondContact O-CB 3.45Å; L225-A229 PolarHBondContact O-N 3.06Å; K226-A229 PolarHBondContact O-N 2.71Å; K227-A229 PolarHBondContact O-N 3.44Å; A229-S233 WeakPolarHBondContact O-CB 3.23Å; A229-S233 PolarHBondContact O-N 2.92Å; A229-S233 PolarHBondContact O-OG 3.29Å
230	Q	91.5	Very high	95.2	Very high	69 Å²	69	37.1 Å²	37.1	32%	0.322	18%	0.181	S	C	.	.	H	α-helix	trans	-63	-48	179.9	-71.6	173.2	-22.7	0	0	112.5	K226 K227 F228 S233	K226-Q230 VanDerWaalsContact O-CG 3.32Å; K226-Q230 WeakPolarHBondContact O-CG 3.21Å; K226-Q230 PolarHBondContact O-N 2.81Å; K227-Q230 PolarHBondContact O-N 2.83Å; F228-Q230 PolarHBondContact O-N 3.46Å; Q230-S233 PolarHBondContact O-OG 3.45Å; Q230-S233 VanDerWaalsContact O-OG 3.12Å
231	V	93.9	Very high	95.1	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.042	19%	0.189	C	C	.	.	H	α-helix	trans	-72.2	-45.8	-178.4	174.7	0	0	0	0	110.8	K227 S233 L234 I253 R283	K227-V231 HydrophobicContact CG-CG2 4.11Å; K227-V231 WeakPolarHBondContact O-CB 3.45Å; K227-V231 WeakPolarHBondContact O-CG2 3.46Å; K227-V231 PolarHBondContact O-N 3.4Å; V231-S233 PolarHBondContact O-N 2.93Å; V231-L234 PolarHBondContact O-N 3.03Å; V231-I253 HydrophobicContact CG1-CD1 4.17Å; V231-I253 HydrophobicContact CG2-CD1 3.83Å; V231-I253 HydrophobicContact CG2-CG1 4.2Å; V231-R283 HydrophobicContact CG1-CG 3.77Å; V231-R283 PolarHBondContact O-NH2 2.85Å
232	Q	95.4	Very high	94.7	Very high	31 Å²	31	44.3 Å²	44.3	15%	0.145	21%	0.214	C	C	.	.	H	α-helix	trans	-78.7	-17.5	-173	-59.9	-60	-24.4	0	0	114.1	L205 K207 S214 F228 L234	L205-Q232 HydrophobicContact CD1-CB 4.01Å; L205-Q232 HydrophobicContact CD2-CB 4.33Å; L205-Q232 WeakPolarHBondContact CD2-O 3.36Å; K207-Q232 VanDerWaalsContact CD-O 3.23Å; K207-Q232 WeakPolarHBondContact CD-O 3.35Å; K207-Q232 PolarHBondContact NZ-O 3.48Å; S214-Q232 PolarHBondContact OG-OE1 2.94Å; S214-Q232 VanDerWaalsContact OG-OE1 3.11Å; F228-Q232 HydrophobicContact CD2-CB 4.42Å; F228-Q232 HydrophobicContact CD2-CG 3.56Å; F228-Q232 HydrophobicContact CE2-CB 4.28Å; F228-Q232 HydrophobicContact CE2-CG 3.57Å; F228-Q232 HydrophobicContact CG-CG 4.22Å; F228-Q232 HydrophobicContact CZ-CB 4.46Å; F228-Q232 HydrophobicContact CZ-CG 4.23Å; F228-Q232 WeakPolarHBondContact O-CA 3.28Å; F228-Q232 WeakPolarHBondContact O-CB 3.44Å; F228-Q232 VanDerWaalsContact O-CG 3.3Å; F228-Q232 WeakPolarHBondContact O-CG 3.34Å; F228-Q232 PolarHBondContact O-N 3.48Å; Q232-L234 VanDerWaalsContact C-N 3.29Å; Q232-L234 PolarHBondContact O-N 3.1Å
233	S	94.3	Very high	94.4	Very high	7 Å²	7	48.8 Å²	48.8	5%	0.049	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-4.3	174.6	62.1	0	0	0	0	115	I155 F182 F209 A229 Q230 V231	I155-S233 WeakPolarHBondContact CD1-O 3.29Å; F182-S233 WeakPolarHBondContact CE1-OG 3.5Å; F182-S233 WeakPolarHBondContact CZ-OG 3.32Å; F209-S233 WeakPolarHBondContact CZ-O 3.33Å; A229-S233 WeakPolarHBondContact O-CB 3.23Å; A229-S233 PolarHBondContact O-N 2.92Å; A229-S233 PolarHBondContact O-OG 3.29Å; Q230-S233 PolarHBondContact O-OG 3.45Å; Q230-S233 VanDerWaalsContact O-OG 3.12Å; V231-S233 PolarHBondContact O-N 2.93Å
234	L	95	Very high	94.3	Very high	14 Å²	14	42 Å²	42	7%	0.073	21%	0.205	C	C	.	.	S	Bend	trans	-102.3	147.1	172.1	-69.2	174.4	0	0	0	110.7	F209 V231 Q232 V238 K247 R283 L287	F209-L234 WeakPolarHBondContact CE2-O 3.36Å; V231-L234 PolarHBondContact O-N 3.03Å; Q232-L234 VanDerWaalsContact C-N 3.29Å; Q232-L234 PolarHBondContact O-N 3.1Å; L234-V238 HydrophobicContact CB-CG2 3.98Å; L234-V238 HydrophobicContact CD1-CG2 4.47Å; L234-V238 HydrophobicContact CD2-CG1 4.32Å; L234-V238 HydrophobicContact CD2-CG2 4.46Å; L234-K247 HydrophobicContact CD1-CB 4.47Å; L234-K247 HydrophobicContact CD2-CB 3.88Å; L234-K247 HydrophobicContact CD2-CD 3.92Å; L234-R283 PolarHBondContact O-NH2 3.08Å; L234-L287 HydrophobicContact CD1-CD1 4.22Å; L234-L287 HydrophobicContact CD1-CD2 4.29Å
235	P	96.7	Very high	93.9	Very high	30 Å²	30	40.3 Å²	40.3	20%	0.195	20%	0.198	C	C	.	.			trans	-61.6	162.2	169.8	27.6	-34.9	0	0	0	111.3	F209 D210 I237 V238	F209-P235 HydrophobicContact CB-CB 4.38Å; F209-P235 HydrophobicContact CD1-CB 4.38Å; F209-P235 VanDerWaalsContact CD2-CA 3.48Å; F209-P235 HydrophobicContact CD2-CB 3.76Å; F209-P235 VanDerWaalsContact CE2-CA 3.44Å; F209-P235 HydrophobicContact CE2-CB 4.1Å; F209-P235 VanDerWaalsContact CE2-N 3.33Å; F209-P235 HydrophobicContact CG-CB 3.91Å; D210-P235 VanDerWaalsContact OD2-CA 3.31Å; D210-P235 WeakPolarHBondContact OD2-CA 3.38Å; P235-I237 WeakPolarHBondContact CG-O 3.43Å; P235-I237 PolarHBondContact O-N 3.2Å; P235-V238 HydrophobicContact CG-CB 4.38Å; P235-V238 HydrophobicContact CG-CG2 4.07Å; P235-V238 WeakPolarHBondContact O-CG2 3.33Å
236	L	97.4	Very high	93.4	Very high	15 Å²	15	44.4 Å²	44.4	8%	0.079	23%	0.226	C	C	.	.	S	Bend	trans	-57.1	-34.9	173.3	-75.7	172.4	0	0	0	112.1	D210 K276 A279 K280	D210-L236 HydrophobicContact CB-CD1 4.26Å; D210-L236 HydrophobicContact CB-CG 4.4Å; D210-L236 WeakPolarHBondContact OD2-CG 3.06Å; D210-L236 PolarHBondContact OD2-N 2.93Å; L236-K276 HydrophobicContact CD1-CB 4.49Å; L236-A279 HydrophobicContact CB-CB 4.22Å; L236-K280 HydrophobicContact CD1-CB 4.04Å; L236-K280 VanDerWaalsContact CD2-CA 3.43Å; L236-K280 HydrophobicContact CD2-CB 3.73Å; L236-K280 HydrophobicContact CD2-CG 4.22Å
237	I	97.7	Very high	93.1	Very high	23 Å²	23	46.4 Å²	46.4	12%	0.118	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	110.8	177.1	-55.4	-177	0	0	0	106.4	P235 V272 K276 A279 F288 T290	P235-I237 WeakPolarHBondContact CG-O 3.43Å; P235-I237 PolarHBondContact O-N 3.2Å; I237-V272 HydrophobicContact CD1-CG1 3.57Å; I237-V272 VanDerWaalsContact CD1-O 3.3Å; I237-V272 WeakPolarHBondContact CD1-O 3.38Å; I237-V272 HydrophobicContact CG1-CG1 4.45Å; I237-V272 HydrophobicContact CG2-CG1 3.52Å; I237-K276 HydrophobicContact CD1-CG 3.81Å; I237-K276 HydrophobicContact CG1-CG 4.42Å; I237-A279 HydrophobicContact CG1-CB 4.29Å; I237-F288 HydrophobicContact CG1-CB 4.42Å; I237-T290 HydrophobicContact CG2-CG2 3.81Å
238	V	97.2	Very high	93	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.7	-174.3	-169.2	0	0	0	0	110	L234 P235 F240 I248 L287 F288 V289 T290	L234-V238 HydrophobicContact CB-CG2 3.98Å; L234-V238 HydrophobicContact CD1-CG2 4.47Å; L234-V238 HydrophobicContact CD2-CG1 4.32Å; L234-V238 HydrophobicContact CD2-CG2 4.46Å; P235-V238 HydrophobicContact CG-CB 4.38Å; P235-V238 HydrophobicContact CG-CG2 4.07Å; P235-V238 WeakPolarHBondContact O-CG2 3.33Å; V238-F240 PolarHBondContact O-N 3.2Å; V238-I248 HydrophobicContact CB-CD1 4.46Å; V238-I248 HydrophobicContact CG1-CD1 3.83Å; V238-I248 HydrophobicContact CG1-CG1 4Å; V238-L287 HydrophobicContact CG2-CD1 3.78Å; V238-L287 HydrophobicContact CG2-CD2 4.39Å; V238-L287 HydrophobicContact CG2-CG 4.17Å; V238-F288 PolarHBondContact N-O 3.36Å; V238-V289 HydrophobicContact CB-CG2 4.5Å; V238-V289 CarbonylContact O-C 3.5Å; V238-V289 WeakPolarHBondContact O-CA 3.49Å; V238-V289 WeakPolarHBondContact O-CG1 3.29Å; V238-T290 PolarHBondContact O-N 2.83Å
239	D	96.1	Very high	92.5	Very high	46 Å²	46	46.8 Å²	46.8	25%	0.246	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	124.6	170.7	-168.1	39.3	0	0	0	110.4	N241 S244 R263 T290	D239-N241 PolarHBondContact O-N 2.81Å; D239-S244 VanDerWaalsContact O-CB 3.24Å; D239-S244 WeakPolarHBondContact O-CB 3.29Å; D239-S244 PolarHBondContact O-OG 2.95Å; D239-R263 IonicContact OD1-NH2 3.81Å; D239-R263 PolarHBondContact OD1-NH2 3.3Å; D239-R263 IonicContact OD2-CZ 3.19Å; D239-R263 IonicContact OD2-NH1 2.82Å; D239-R263 IonicContact OD2-NH2 2.7Å; D239-R263 PolarHBondContact OD2-NH2 2.68Å; D239-T290 WeakPolarHBondContact CA-OG1 3.41Å; D239-T290 PolarHBondContact OD1-OG1 3.31Å
240	F	96.1	Very high	91.9	Very high	30 Å²	30	49.4 Å²	49.4	13%	0.132	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-74.9	120.7	176.9	-173.2	-89.2	0	0	0	110.2	V238 S244 A245 I248 F249 V289 T290 I291 H298 I301	V238-F240 PolarHBondContact O-N 3.2Å; F240-S244 WeakPolarHBondContact CA-OG 3.49Å; F240-A245 HydrophobicContact CE2-CB 3.89Å; F240-A245 HydrophobicContact CZ-CB 3.93Å; F240-I248 HydrophobicContact CD2-CD1 3.74Å; F240-I248 HydrophobicContact CE2-CD1 4.49Å; F240-F249 AromaticContact CE2-CE2 3.63Å; F240-F249 HydrophobicContact CE2-CE2 3.63Å; F240-F249 AromaticContact CE2-CZ 3.81Å; F240-F249 HydrophobicContact CE2-CZ 3.81Å; F240-F249 HydrophobicContact CZ-CE2 4.03Å; F240-F249 HydrophobicContact CZ-CZ 4.31Å; F240-V289 HydrophobicContact CB-CG1 3.77Å; F240-V289 HydrophobicContact CD2-CG1 4.4Å; F240-T290 VanDerWaalsContact CB-O 3.23Å; F240-T290 WeakPolarHBondContact CB-O 3.49Å; F240-T290 PolarHBondContact N-O 2.98Å; F240-I291 HydrophobicContact CB-CG1 3.79Å; F240-I291 HydrophobicContact CG-CG1 4.18Å; F240-H298 AromaticContact CD1-NE2 3.57Å; F240-H298 PolarHBondContact O-CE1 3.47Å; F240-H298 PolarHBondContact O-NE2 3.18Å; F240-I301 HydrophobicContact CD1-CD1 3.77Å; F240-I301 HydrophobicContact CE1-CD1 3.36Å; F240-I301 HydrophobicContact CZ-CD1 3.92Å
241	N	92.3	Very high	91.5	Very high	57 Å²	57	46.7 Å²	46.7	31%	0.305	26%	0.255	S	S	.	.	S	Bend	trans	-159.4	-178.3	175.9	60.2	46.8	0	0	0	110	D239 E243 S244 A245	D239-N241 PolarHBondContact O-N 2.81Å; N241-E243 PolarHBondContact O-N 3.49Å; N241-E243 WeakPolarHBondContact OD1-CA 3.31Å; N241-E243 WeakPolarHBondContact OD1-CB 3.43Å; N241-E243 PolarHBondContact OD1-N 2.8Å; N241-S244 PolarHBondContact N-OG 3.3Å; N241-S244 PolarHBondContact O-N 2.9Å; N241-S244 PolarHBondContact O-OG 3.03Å; N241-S244 PolarHBondContact OD1-N 3.11Å; N241-S244 PolarHBondContact OD1-OG 3.48Å; N241-A245 VanDerWaalsContact O-CB 3.29Å; N241-A245 WeakPolarHBondContact O-CB 3.24Å; N241-A245 PolarHBondContact O-N 3.31Å
242	H	88.4	Confident	91.1	Very high	163 Å²	163	49 Å²	49	76%	0.755	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-31.8	-179.5	-71.5	-67	0	0	0	114.5	D297	H242-D297 IonicContact NE2-OD2 2.62Å
243	E	87.4	Confident	91	Very high	153 Å²	153	48.2 Å²	48.2	72%	0.715	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-35.2	-178.4	-60.6	-176.5	173.8	0	0	112.6	N241	N241-E243 PolarHBondContact O-N 3.49Å; N241-E243 WeakPolarHBondContact OD1-CA 3.31Å; N241-E243 WeakPolarHBondContact OD1-CB 3.43Å; N241-E243 PolarHBondContact OD1-N 2.8Å
244	S	91.4	Very high	90.9	Very high	9 Å²	9	51.6 Å²	51.6	6%	0.063	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-25.8	-177.9	67.4	0	0	0	0	113.2	D239 F240 N241 S246 K247 I248	D239-S244 VanDerWaalsContact O-CB 3.24Å; D239-S244 WeakPolarHBondContact O-CB 3.29Å; D239-S244 PolarHBondContact O-OG 2.95Å; F240-S244 WeakPolarHBondContact CA-OG 3.49Å; N241-S244 PolarHBondContact N-OG 3.3Å; N241-S244 PolarHBondContact O-N 2.9Å; N241-S244 PolarHBondContact O-OG 3.03Å; N241-S244 PolarHBondContact OD1-N 3.11Å; N241-S244 PolarHBondContact OD1-OG 3.48Å; S244-S246 PolarHBondContact O-N 3.12Å; S244-K247 WeakPolarHBondContact O-CB 3.31Å; S244-K247 PolarHBondContact O-N 3.47Å; S244-I248 VanDerWaalsContact O-CG1 3.31Å; S244-I248 WeakPolarHBondContact O-CG1 3.46Å; S244-I248 PolarHBondContact O-N 2.88Å
245	A	88.7	Confident	91	Very high	20 Å²	20	51.7 Å²	51.7	17%	0.165	28%	0.283	C	S	.	.	H	α-helix	trans	-53.2	-49.6	-175.3	0	0	0	0	0	112.9	F240 N241 K247 I248 F249	F240-A245 HydrophobicContact CE2-CB 3.89Å; F240-A245 HydrophobicContact CZ-CB 3.93Å; N241-A245 VanDerWaalsContact O-CB 3.29Å; N241-A245 WeakPolarHBondContact O-CB 3.24Å; N241-A245 PolarHBondContact O-N 3.31Å; A245-K247 VanDerWaalsContact C-N 3.27Å; A245-K247 PolarHBondContact O-N 2.71Å; A245-I248 PolarHBondContact O-N 3.16Å; A245-F249 HydrophobicContact CB-CD2 4.33Å; A245-F249 HydrophobicContact CB-CE2 4.19Å; A245-F249 WeakPolarHBondContact O-CD2 3.02Å; A245-F249 PolarHBondContact O-N 2.77Å
246	S	84.3	Confident	91	Very high	85 Å²	85	50.4 Å²	50.4	59%	0.594	28%	0.275	S	S	*	.	H	α-helix	trans	-62.1	-34.7	179.6	59.8	0	0	0	0	112.7	S244 G250	S244-S246 PolarHBondContact O-N 3.12Å; S246-G250 WeakPolarHBondContact O-CA 3.33Å; S246-G250 PolarHBondContact O-N 2.93Å
247	K	87.3	Confident	91	Very high	104 Å²	104	49.7 Å²	49.7	45%	0.452	27%	0.271	S	S	.	.	H	α-helix	trans	-73.6	-38.9	177.5	-56.4	175.5	-175.3	170.6	0	111.7	L234 S244 A245 G251	L234-K247 HydrophobicContact CD1-CB 4.47Å; L234-K247 HydrophobicContact CD2-CB 3.88Å; L234-K247 HydrophobicContact CD2-CD 3.92Å; S244-K247 WeakPolarHBondContact O-CB 3.31Å; S244-K247 PolarHBondContact O-N 3.47Å; A245-K247 VanDerWaalsContact C-N 3.27Å; A245-K247 PolarHBondContact O-N 2.71Å; K247-G251 PolarHBondContact O-N 2.86Å; K247-G251 VanDerWaalsContact O-N 3.16Å
248	I	90.8	Very high	91	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.015	27%	0.268	C	S	.	.	H	α-helix	trans	-62.8	-53.8	175.7	-69.5	167.1	0	0	0	109.6	V238 F240 S244 A245 H256 L287 V289	V238-I248 HydrophobicContact CB-CD1 4.46Å; V238-I248 HydrophobicContact CG1-CD1 3.83Å; V238-I248 HydrophobicContact CG1-CG1 4Å; F240-I248 HydrophobicContact CD2-CD1 3.74Å; F240-I248 HydrophobicContact CE2-CD1 4.49Å; S244-I248 VanDerWaalsContact O-CG1 3.31Å; S244-I248 WeakPolarHBondContact O-CG1 3.46Å; S244-I248 PolarHBondContact O-N 2.88Å; A245-I248 PolarHBondContact O-N 3.16Å; I248-H256 WeakPolarHBondContact CG2-CE1 3.33Å; I248-H256 PolarHBondContact O-CE1 2.96Å; I248-H256 VanDerWaalsContact O-CE1 3.27Å; I248-L287 HydrophobicContact CB-CD2 4.35Å; I248-L287 HydrophobicContact CG1-CD2 4.02Å; I248-L287 HydrophobicContact CG2-CD2 4.2Å; I248-V289 HydrophobicContact CD1-CG1 3.88Å; I248-V289 HydrophobicContact CD1-CG2 4.28Å; I248-V289 HydrophobicContact CG2-CG2 4.41Å
249	F	85.7	Confident	91.1	Very high	113 Å²	113	49 Å²	49	50%	0.496	27%	0.268	S	S	.	.	H	α-helix	trans	-76.1	-32.3	-176.4	-63	-62.4	0	0	0	113.5	F240 A245 G251 L320	F240-F249 AromaticContact CE2-CE2 3.63Å; F240-F249 HydrophobicContact CE2-CE2 3.63Å; F240-F249 AromaticContact CE2-CZ 3.81Å; F240-F249 HydrophobicContact CE2-CZ 3.81Å; F240-F249 HydrophobicContact CZ-CE2 4.03Å; F240-F249 HydrophobicContact CZ-CZ 4.31Å; A245-F249 HydrophobicContact CB-CD2 4.33Å; A245-F249 HydrophobicContact CB-CE2 4.19Å; A245-F249 WeakPolarHBondContact O-CD2 3.02Å; A245-F249 PolarHBondContact O-N 2.77Å; F249-G251 VanDerWaalsContact C-N 3.33Å; F249-L320 HydrophobicContact CD1-CD1 3.71Å; F249-L320 HydrophobicContact CD1-CD2 4.43Å; F249-L320 HydrophobicContact CE1-CD1 4.26Å; F249-L320 HydrophobicContact CE1-CD2 4.35Å
250	G	82.1	Confident	91.1	Very high	55 Å²	55	46.9 Å²	46.9	57%	0.567	26%	0.256	S	S	*	.	H	α-helix	trans	-80.9	-7.3	178.5	0	0	0	0	0	114.8	S246	S246-G250 WeakPolarHBondContact O-CA 3.33Å; S246-G250 PolarHBondContact O-N 2.93Å
251	G	83.8	Confident	91.2	Very high	13 Å²	13	45.5 Å²	45.5	13%	0.134	25%	0.25	C	S	.	.	S	Bend	trans	-70.7	162.5	-177.4	0	0	0	0	0	114.3	K247 F249 I253 K254	K247-G251 PolarHBondContact O-N 2.86Å; K247-G251 VanDerWaalsContact O-N 3.16Å; F249-G251 VanDerWaalsContact C-N 3.33Å; G251-I253 VanDerWaalsContact C-N 3.32Å; G251-K254 WeakPolarHBondContact O-CE 3.26Å; G251-K254 PolarHBondContact O-NZ 3.37Å
252	S	86	Confident	91.5	Very high	54 Å²	54	43.6 Å²	43.6	38%	0.378	24%	0.241	S	C	.	.	S	Bend	trans	-73.5	-23.6	174.4	63.2	0	0	0	0	113.2	K254	S252-K254 PolarHBondContact O-N 3.33Å
253	I	92.5	Very high	91.7	Very high	15 Å²	15	40.2 Å²	40.2	8%	0.077	22%	0.222	C	C	.	.			trans	-80.2	118.1	177.4	-60.5	169.3	0	0	0	107.7	V231 G251 S255 H256 R283 L287	V231-I253 HydrophobicContact CG1-CD1 4.17Å; V231-I253 HydrophobicContact CG2-CD1 3.83Å; V231-I253 HydrophobicContact CG2-CG1 4.2Å; G251-I253 VanDerWaalsContact C-N 3.32Å; I253-S255 WeakPolarHBondContact CG2-O 3.07Å; I253-H256 PolarHBondContact O-NE2 3.43Å; I253-H256 VanDerWaalsContact O-NE2 3.16Å; I253-R283 WeakPolarHBondContact CD1-O 3.47Å; I253-L287 HydrophobicContact CG2-CB 4.15Å
254	K	92.4	Very high	92.1	Very high	79 Å²	79	41.3 Å²	41.3	34%	0.343	23%	0.227	S	C	.	.			trans	-99.6	-11.9	-177.8	-57.9	-52.8	-173.9	-172.1	0	113.6	G251 S252 K319 L320 E321	G251-K254 WeakPolarHBondContact O-CE 3.26Å; G251-K254 PolarHBondContact O-NZ 3.37Å; S252-K254 PolarHBondContact O-N 3.33Å; K254-K319 CarbonylContact O-C 3.54Å; K254-K319 WeakPolarHBondContact O-CA 3.04Å; K254-L320 HydrophobicContact CB-CB 4.44Å; K254-L320 HydrophobicContact CD-CB 4.45Å; K254-L320 WeakPolarHBondContact O-CB 3.38Å; K254-L320 PolarHBondContact O-N 2.95Å; K254-E321 HydrophobicContact CB-CG 4.49Å
255	S	96.1	Very high	92.3	Very high	15 Å²	15	43 Å²	43	11%	0.105	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.6	178.1	-54.1	0	0	0	0	109.9	I253 I286 L287 I318 F346	I253-S255 WeakPolarHBondContact CG2-O 3.07Å; S255-I286 CarbonylContact O-C 3.55Å; S255-I286 VanDerWaalsContact O-CA 3.25Å; S255-I286 WeakPolarHBondContact O-CA 3.11Å; S255-L287 PolarHBondContact O-N 3.38Å; S255-I318 CarbonylContact C-O 3.58Å; S255-I318 WeakPolarHBondContact CA-O 3.44Å; S255-F346 WeakPolarHBondContact OG-CE1 3.49Å; S255-F346 WeakPolarHBondContact OG-CZ 3.31Å
256	H	97.4	Very high	92.7	Very high	3 Å²	3	43.4 Å²	43.4	1%	0.014	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	129.5	-179.6	-58.7	166.9	0	0	0	110.9	I248 I253 L258 L287 L317 I318 L320	I248-H256 WeakPolarHBondContact CG2-CE1 3.33Å; I248-H256 PolarHBondContact O-CE1 2.96Å; I248-H256 VanDerWaalsContact O-CE1 3.27Å; I253-H256 PolarHBondContact O-NE2 3.43Å; I253-H256 VanDerWaalsContact O-NE2 3.16Å; H256-L258 HydrophobicContact CB-CD2 3.82Å; H256-L287 CarbonylContact C-O 3.53Å; H256-L287 VanDerWaalsContact CA-O 3.26Å; H256-L287 WeakPolarHBondContact CA-O 3.2Å; H256-L287 WeakPolarHBondContact CD2-CB 3.34Å; H256-L317 CarbonylContact O-C 3.56Å; H256-L317 WeakPolarHBondContact O-CA 3.3Å; H256-I318 HydrophobicContact CB-CG2 3.88Å; H256-I318 PolarHBondContact N-O 3.46Å; H256-I318 PolarHBondContact O-N 3.35Å; H256-L320 WeakPolarHBondContact CE1-CD1 3.21Å; H256-L320 WeakPolarHBondContact ND1-CD1 3.33Å
257	L	98.1	Very high	93.4	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	111.8	165.7	-176.8	67.8	0	0	0	108.6	F259 I286 L287 F288 V289 I315 L317 I339 F342 L343	L257-F259 HydrophobicContact CB-CE2 4.45Å; L257-F259 HydrophobicContact CD2-CE2 3.45Å; L257-F259 VanDerWaalsContact CD2-CE2 3.45Å; L257-F259 HydrophobicContact CD2-CZ 3.45Å; L257-F259 VanDerWaalsContact CD2-CZ 3.45Å; L257-F259 HydrophobicContact CG-CD2 4.38Å; L257-F259 HydrophobicContact CG-CE2 3.7Å; L257-F259 HydrophobicContact CG-CZ 4.09Å; L257-I286 HydrophobicContact CB-CG2 3.93Å; L257-L287 PolarHBondContact N-O 3.48Å; L257-F288 HydrophobicContact CB-CD2 4.4Å; L257-F288 HydrophobicContact CD2-CD1 4.02Å; L257-F288 HydrophobicContact CD2-CE1 3.68Å; L257-F288 HydrophobicContact CD2-CE2 4.43Å; L257-F288 HydrophobicContact CD2-CZ 3.91Å; L257-F288 WeakPolarHBondContact O-CA 3.45Å; L257-V289 PolarHBondContact O-N 2.99Å; L257-I315 HydrophobicContact CD1-CB 4.24Å; L257-I315 HydrophobicContact CD1-CD1 4.18Å; L257-L317 HydrophobicContact CD1-CB 4.24Å; L257-I339 HydrophobicContact CD2-CG2 3.82Å; L257-F342 HydrophobicContact CD1-CD1 4.27Å; L257-F342 HydrophobicContact CD1-CE1 3.93Å; L257-L343 HydrophobicContact CB-CD2 4.35Å; L257-L343 HydrophobicContact CD1-CD2 4.17Å; L257-L343 HydrophobicContact CD2-CD1 4.27Å; L257-L343 HydrophobicContact CD2-CD2 4.01Å; L257-L343 HydrophobicContact CD2-CG 4.46Å; L257-L343 HydrophobicContact CG-CD2 4.41Å
258	L	97.9	Very high	93.8	Very high	12 Å²	12	37.2 Å²	37.2	6%	0.063	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	123.9	-177.4	-53.6	-174.1	0	0	0	110.1	H256 F260 V289 I291 F305 I315 R316 I318	H256-L258 HydrophobicContact CB-CD2 3.82Å; L258-F260 HydrophobicContact CB-CD2 4.39Å; L258-F260 HydrophobicContact CB-CE2 3.66Å; L258-F260 HydrophobicContact CB-CZ 4.22Å; L258-F260 HydrophobicContact CD1-CE2 4.31Å; L258-F260 HydrophobicContact CD1-CZ 4.16Å; L258-V289 CarbonylContact C-O 3.47Å; L258-V289 WeakPolarHBondContact CA-O 3.27Å; L258-V289 HydrophobicContact CD2-CB 3.72Å; L258-V289 HydrophobicContact CD2-CG1 4.23Å; L258-V289 HydrophobicContact CD2-CG2 4.16Å; L258-I291 HydrophobicContact CB-CD1 4.16Å; L258-I291 HydrophobicContact CD1-CD1 3.9Å; L258-I291 HydrophobicContact CD2-CD1 4.23Å; L258-I291 HydrophobicContact CG-CD1 4.32Å; L258-F305 HydrophobicContact CD1-CD2 4.44Å; L258-F305 HydrophobicContact CD1-CE1 4.12Å; L258-F305 HydrophobicContact CD1-CE2 3.43Å; L258-F305 VanDerWaalsContact CD1-CE2 3.43Å; L258-F305 HydrophobicContact CD1-CZ 3.24Å; L258-I315 CarbonylContact O-C 3.59Å; L258-I315 WeakPolarHBondContact O-CA 3.05Å; L258-R316 WeakPolarHBondContact CA-O 3.39Å; L258-R316 WeakPolarHBondContact CB-O 3.27Å; L258-R316 PolarHBondContact N-O 2.94Å; L258-R316 PolarHBondContact O-N 3.35Å; L258-I318 HydrophobicContact CD1-CG2 3.89Å; L258-I318 HydrophobicContact CD2-CG2 4.45Å; L258-I318 HydrophobicContact CG-CG2 4.12Å
259	F	98	Very high	94.1	Very high	1 Å²	1	42.3 Å²	42.3	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	111.5	172.6	-69.1	-96	0	0	0	109.2	L257 V261 V272 L275 F288 V289 T290 I291 I315 I339	L257-F259 HydrophobicContact CB-CE2 4.45Å; L257-F259 HydrophobicContact CD2-CE2 3.45Å; L257-F259 VanDerWaalsContact CD2-CE2 3.45Å; L257-F259 HydrophobicContact CD2-CZ 3.45Å; L257-F259 VanDerWaalsContact CD2-CZ 3.45Å; L257-F259 HydrophobicContact CG-CD2 4.38Å; L257-F259 HydrophobicContact CG-CE2 3.7Å; L257-F259 HydrophobicContact CG-CZ 4.09Å; F259-V261 HydrophobicContact CB-CG1 4.01Å; F259-V272 HydrophobicContact CB-CG2 4.11Å; F259-V272 HydrophobicContact CD1-CG2 3.79Å; F259-V272 HydrophobicContact CE1-CG2 4.47Å; F259-V272 HydrophobicContact CG-CG2 4.01Å; F259-L275 HydrophobicContact CE1-CD1 3.37Å; F259-L275 HydrophobicContact CE2-CD1 4.48Å; F259-L275 HydrophobicContact CZ-CD1 3.34Å; F259-F288 HydrophobicContact CE2-CB 4.43Å; F259-F288 AromaticContact CE2-CD1 3.55Å; F259-F288 HydrophobicContact CE2-CD1 3.55Å; F259-F288 HydrophobicContact CE2-CE1 4.16Å; F259-F288 HydrophobicContact CE2-CG 4.26Å; F259-F288 HydrophobicContact CZ-CD1 4.01Å; F259-F288 HydrophobicContact CZ-CE1 4.22Å; F259-V289 PolarHBondContact N-O 2.88Å; F259-T290 HydrophobicContact CB-CG2 4.15Å; F259-T290 CarbonylContact O-C 3.47Å; F259-T290 WeakPolarHBondContact O-CA 3.39Å; F259-I291 PolarHBondContact O-N 3.07Å; F259-I315 HydrophobicContact CD1-CG2 3.29Å; F259-I315 HydrophobicContact CE1-CG2 3.44Å; F259-I315 VanDerWaalsContact CE1-CG2 3.44Å; F259-I315 HydrophobicContact CG-CG2 3.89Å; F259-I315 HydrophobicContact CZ-CG2 4.13Å; F259-I339 HydrophobicContact CE1-CD1 3.86Å; F259-I339 HydrophobicContact CZ-CD1 4.18Å
260	F	97.7	Very high	94.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	109.7	172.3	-64.8	-94.9	0	0	0	107.4	L258 I291 I301 F302 F305 M307 V312 P313 T314 R316	L258-F260 HydrophobicContact CB-CD2 4.39Å; L258-F260 HydrophobicContact CB-CE2 3.66Å; L258-F260 HydrophobicContact CB-CZ 4.22Å; L258-F260 HydrophobicContact CD1-CE2 4.31Å; L258-F260 HydrophobicContact CD1-CZ 4.16Å; F260-I291 WeakPolarHBondContact CA-O 3.22Å; F260-I291 HydrophobicContact CD1-CB 4.18Å; F260-I291 HydrophobicContact CD1-CG2 4.14Å; F260-I291 HydrophobicContact CE1-CB 4.25Å; F260-I291 HydrophobicContact CE1-CD1 3.89Å; F260-I291 HydrophobicContact CE1-CG2 4.12Å; F260-I291 HydrophobicContact CZ-CD1 3.83Å; F260-I301 HydrophobicContact CE1-CG2 4.01Å; F260-I301 HydrophobicContact CZ-CG2 4.29Å; F260-F302 HydrophobicContact CB-CE1 4.11Å; F260-F302 HydrophobicContact CB-CZ 4.03Å; F260-F302 HydrophobicContact CD1-CD1 4.15Å; F260-F302 HydrophobicContact CD1-CD2 4.13Å; F260-F302 AromaticContact CD1-CE1 3.8Å; F260-F302 HydrophobicContact CD1-CE1 3.8Å; F260-F302 AromaticContact CD1-CE2 3.79Å; F260-F302 HydrophobicContact CD1-CE2 3.79Å; F260-F302 HydrophobicContact CD1-CG 4.3Å; F260-F302 AromaticContact CD1-CZ 3.61Å; F260-F302 HydrophobicContact CD1-CZ 3.61Å; F260-F302 HydrophobicContact CE1-CD2 4.42Å; F260-F302 HydrophobicContact CE1-CE2 4.45Å; F260-F302 HydrophobicContact CG-CE1 4.35Å; F260-F302 HydrophobicContact CG-CZ 4.3Å; F260-F305 HydrophobicContact CE1-CD2 4.23Å; F260-F305 HydrophobicContact CE2-CD2 4.39Å; F260-F305 HydrophobicContact CE2-CG 4.48Å; F260-F305 HydrophobicContact CZ-CB 4.33Å; F260-F305 AromaticContact CZ-CD2 3.49Å; F260-F305 HydrophobicContact CZ-CD2 3.49Å; F260-F305 VanDerWaalsContact CZ-CD2 3.49Å; F260-F305 AromaticContact CZ-CE2 3.93Å; F260-F305 HydrophobicContact CZ-CE2 3.93Å; F260-F305 AromaticContact CZ-CG 3.92Å; F260-F305 HydrophobicContact CZ-CG 3.92Å; F260-M307 HydrophobicContact CB-CE 4.43Å; F260-M307 HydrophobicContact CD1-CE 3.6Å; F260-M307 HydrophobicContact CD2-CE 3.35Å; F260-M307 HydrophobicContact CD2-SD 4.39Å; F260-M307 HydrophobicContact CE1-CE 3.54Å; F260-M307 HydrophobicContact CE2-CE 3.32Å; F260-M307 HydrophobicContact CG-CE 3.51Å; F260-M307 HydrophobicContact CZ-CE 3.41Å; F260-M307 VanDerWaalsContact CZ-CE 3.41Å; F260-V312 HydrophobicContact CB-CG2 4.48Å; F260-P313 VanDerWaalsContact O-CA 3.28Å; F260-P313 WeakPolarHBondContact O-CA 3.4Å; F260-T314 HydrophobicContact CB-CG2 4.06Å; F260-T314 PolarHBondContact N-O 3.48Å; F260-T314 PolarHBondContact O-N 2.57Å; F260-T314 VanDerWaalsContact O-N 3.09Å; F260-R316 HydrophobicContact CE2-CB 4.04Å; F260-R316 HydrophobicContact CE2-CG 4.04Å
261	V	97.6	Very high	95.3	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	159.7	-165.8	-71	0	0	0	0	111.2	F259 H267 I268 V272 T290 I291 S292 S293 P313	F259-V261 HydrophobicContact CB-CG1 4.01Å; V261-H267 HydrophobicContact CB-CB 3.84Å; V261-H267 HydrophobicContact CG1-CB 4.04Å; V261-I268 HydrophobicContact CG2-CG1 4.06Å; V261-V272 HydrophobicContact CG1-CG2 3.9Å; V261-T290 HydrophobicContact CG2-CG2 4.17Å; V261-I291 PolarHBondContact N-O 3.42Å; V261-S292 CarbonylContact O-C 3.52Å; V261-S292 VanDerWaalsContact O-CA 3.23Å; V261-S292 WeakPolarHBondContact O-CA 3.37Å; V261-S293 PolarHBondContact O-N 3.05Å; V261-S293 PolarHBondContact O-OG 3.08Å; V261-P313 HydrophobicContact CG1-CB 4.32Å
262	S	97.4	Very high	95.9	Very high	17 Å²	17	43.1 Å²	43.1	12%	0.119	22%	0.222	C	C	.	.			trans	-106.3	121.1	167.2	175.9	0	0	0	0	107.8	G265 G266 H267 S293 D294	S262-G265 PolarHBondContact OG-N 2.93Å; S262-G266 PolarHBondContact O-N 2.88Å; S262-H267 PolarHBondContact N-ND1 3.38Å; S262-H267 VanDerWaalsContact N-ND1 3.2Å; S262-H267 VanDerWaalsContact O-CB 3.28Å; S262-H267 WeakPolarHBondContact O-CB 3.45Å; S262-H267 PolarHBondContact O-N 2.81Å; S262-S293 WeakPolarHBondContact CA-OG 3.1Å; S262-S293 WeakPolarHBondContact CB-OG 3.23Å; S262-D294 WeakPolarHBondContact CA-OD2 3.3Å; S262-D294 WeakPolarHBondContact CB-OD1 3.48Å; S262-D294 VanDerWaalsContact OG-CG 3.28Å; S262-D294 PolarHBondContact OG-OD1 3.49Å; S262-D294 PolarHBondContact OG-OD2 3.37Å; S262-D294 VanDerWaalsContact OG-OD2 3.14Å
263	R	94.2	Very high	96.4	Very high	93 Å²	93	43.2 Å²	43.2	35%	0.351	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-43.7	173.2	177.4	175.5	-71	119.3	0.6	109.7	D239 G265 G266 I268 D294	D239-R263 IonicContact OD1-NH2 3.81Å; D239-R263 PolarHBondContact OD1-NH2 3.3Å; D239-R263 IonicContact OD2-CZ 3.19Å; D239-R263 IonicContact OD2-NH1 2.82Å; D239-R263 IonicContact OD2-NH2 2.7Å; D239-R263 PolarHBondContact OD2-NH2 2.68Å; R263-G265 PolarHBondContact O-N 3.23Å; R263-G266 PolarHBondContact O-N 3.27Å; R263-I268 HydrophobicContact CB-CD1 4.02Å; R263-I268 HydrophobicContact CG-CD1 4.11Å; R263-D294 WeakPolarHBondContact CA-OD2 3.18Å; R263-D294 PolarHBondContact N-OD2 3.48Å
264	E	95.3	Very high	96.5	Very high	175 Å²	175	46.4 Å²	46.4	82%	0.818	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-32.1	176.4	-63.7	-171.6	173.4	0	0	112.1	G266 D294	E264-G266 PolarHBondContact O-N 2.7Å; E264-D294 HydrophobicContact CG-CB 4.43Å; E264-D294 PolarHBondContact N-OD2 2.97Å
265	G	95.9	Very high	96.7	Very high	46 Å²	46	42.8 Å²	42.8	47%	0.474	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-2.4	173.3	0	0	0	0	0	115.2	S262 R263 H267	S262-G265 PolarHBondContact OG-N 2.93Å; R263-G265 PolarHBondContact O-N 3.23Å; G265-H267 VanDerWaalsContact C-N 3.26Å; G265-H267 PolarHBondContact O-CD2 3.18Å; G265-H267 PolarHBondContact O-N 2.95Å
266	G	96.9	Very high	96.7	Very high	27 Å²	27	45.8 Å²	45.8	28%	0.278	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	24.8	-177.8	0	0	0	0	0	113.8	S262 R263 E264 I268 E269 K270	S262-G266 PolarHBondContact O-N 2.88Å; R263-G266 PolarHBondContact O-N 3.27Å; E264-G266 PolarHBondContact O-N 2.7Å; G266-I268 VanDerWaalsContact C-N 3.32Å; G266-E269 WeakPolarHBondContact CA-OE2 3.47Å; G266-K270 VanDerWaalsContact O-CB 3.31Å; G266-K270 WeakPolarHBondContact O-CB 3.17Å; G266-K270 PolarHBondContact O-N 3.16Å
267	H	97.6	Very high	96.7	Very high	35 Å²	35	52.4 Å²	52.4	16%	0.162	27%	0.267	C	S	.	.	H	α-helix	trans	-71.9	-28.7	-177.4	-66.4	176	0	0	0	112.1	V261 S262 G265 K270 Y271 P313	V261-H267 HydrophobicContact CB-CB 3.84Å; V261-H267 HydrophobicContact CG1-CB 4.04Å; S262-H267 PolarHBondContact N-ND1 3.38Å; S262-H267 VanDerWaalsContact N-ND1 3.2Å; S262-H267 VanDerWaalsContact O-CB 3.28Å; S262-H267 WeakPolarHBondContact O-CB 3.45Å; S262-H267 PolarHBondContact O-N 2.81Å; G265-H267 VanDerWaalsContact C-N 3.26Å; G265-H267 PolarHBondContact O-CD2 3.18Å; G265-H267 PolarHBondContact O-N 2.95Å; H267-K270 PolarHBondContact O-N 3.08Å; H267-Y271 HydrophobicContact CB-CD2 4.08Å; H267-Y271 WeakPolarHBondContact O-CB 3.4Å; H267-Y271 WeakPolarHBondContact O-CD2 3.46Å; H267-Y271 PolarHBondContact O-N 3.47Å; H267-P313 HydrophobicContact CB-CB 4.47Å
268	I	96.4	Very high	96.6	Very high	25 Å²	25	53.3 Å²	53.3	13%	0.128	27%	0.271	C	S	.	.	I	π-helix	trans	-63.5	-54.4	-179.8	-63	177.2	0	0	0	109.7	V261 R263 G266 K270 V272 D273	V261-I268 HydrophobicContact CG2-CG1 4.06Å; R263-I268 HydrophobicContact CB-CD1 4.02Å; R263-I268 HydrophobicContact CG-CD1 4.11Å; G266-I268 VanDerWaalsContact C-N 3.32Å; I268-K270 VanDerWaalsContact C-N 3.25Å; I268-K270 PolarHBondContact O-N 2.67Å; I268-V272 HydrophobicContact CG2-CB 4.39Å; I268-V272 CarbonylContact O-C 3.5Å; I268-V272 WeakPolarHBondContact O-CA 3.49Å; I268-V272 WeakPolarHBondContact O-CB 3.47Å; I268-V272 PolarHBondContact O-N 2.89Å; I268-D273 PolarHBondContact O-N 3.48Å
269	E	96.6	Very high	96.6	Very high	110 Å²	110	52.9 Å²	52.9	51%	0.514	27%	0.269	S	S	.	.	I	π-helix	trans	-64.7	-34.1	-178.1	-61.2	76.8	-171.3	0	0	111.4	G266	G266-E269 WeakPolarHBondContact CA-OE2 3.47Å
270	K	96.7	Very high	96.5	Very high	134 Å²	134	57 Å²	57	58%	0.583	29%	0.287	S	S	*	.	I	π-helix	trans	-79.7	-41.9	-175.8	-174.4	174.8	176.6	-163.8	0	113.7	G266 H267 I268	G266-K270 VanDerWaalsContact O-CB 3.31Å; G266-K270 WeakPolarHBondContact O-CB 3.17Å; G266-K270 PolarHBondContact O-N 3.16Å; H267-K270 PolarHBondContact O-N 3.08Å; I268-K270 VanDerWaalsContact C-N 3.25Å; I268-K270 PolarHBondContact O-N 2.67Å
271	Y	96.3	Very high	96.4	Very high	63 Å²	63	63.2 Å²	63.2	25%	0.247	31%	0.314	C	S	.	.	I	π-helix	trans	-117.7	-28.3	-169	-60	-72.7	0	0	0	113.8	H267 L275 P313 L334	H267-Y271 HydrophobicContact CB-CD2 4.08Å; H267-Y271 WeakPolarHBondContact O-CB 3.4Å; H267-Y271 WeakPolarHBondContact O-CD2 3.46Å; H267-Y271 PolarHBondContact O-N 3.47Å; Y271-L275 VanDerWaalsContact O-CD1 3.27Å; Y271-L275 WeakPolarHBondContact O-CD1 3.43Å; Y271-L275 WeakPolarHBondContact O-CG 3.39Å; Y271-P313 HydrophobicContact CD2-CB 4.38Å; Y271-P313 HydrophobicContact CD2-CG 3.97Å; Y271-P313 HydrophobicContact CE2-CG 3.7Å; Y271-L334 HydrophobicContact CD1-CB 3.93Å; Y271-L334 HydrophobicContact CD1-CD1 4.16Å; Y271-L334 HydrophobicContact CG-CB 4.49Å; Y271-L334 HydrophobicContact CG-CD1 4.11Å
272	V	97.3	Very high	96.4	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.318	C	S	.	.	I	π-helix	trans	-101	-48.5	-169.9	-177.2	0	0	0	0	111.8	I237 F259 V261 I268 P274 L275 T290	I237-V272 HydrophobicContact CD1-CG1 3.57Å; I237-V272 VanDerWaalsContact CD1-O 3.3Å; I237-V272 WeakPolarHBondContact CD1-O 3.38Å; I237-V272 HydrophobicContact CG1-CG1 4.45Å; I237-V272 HydrophobicContact CG2-CG1 3.52Å; F259-V272 HydrophobicContact CB-CG2 4.11Å; F259-V272 HydrophobicContact CD1-CG2 3.79Å; F259-V272 HydrophobicContact CE1-CG2 4.47Å; F259-V272 HydrophobicContact CG-CG2 4.01Å; V261-V272 HydrophobicContact CG1-CG2 3.9Å; I268-V272 HydrophobicContact CG2-CB 4.39Å; I268-V272 CarbonylContact O-C 3.5Å; I268-V272 WeakPolarHBondContact O-CA 3.49Å; I268-V272 WeakPolarHBondContact O-CB 3.47Å; I268-V272 PolarHBondContact O-N 2.89Å; V272-P274 VanDerWaalsContact C-CD 3.43Å; V272-P274 VanDerWaalsContact C-N 3.34Å; V272-L275 VanDerWaalsContact O-CB 3.27Å; V272-L275 WeakPolarHBondContact O-CB 3.26Å; V272-L275 PolarHBondContact O-N 2.92Å; V272-T290 HydrophobicContact CB-CG2 4.47Å; V272-T290 HydrophobicContact CG1-CG2 3.74Å; V272-T290 HydrophobicContact CG2-CG2 4.21Å
273	D	95.4	Very high	96.2	Very high	56 Å²	56	64.4 Å²	64.4	30%	0.299	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-53.7	-40.5	177.5	-91.4	-19.7	0	0	0	114.2	I268 L275 K276	I268-D273 PolarHBondContact O-N 3.48Å; D273-L275 PolarHBondContact O-N 2.82Å; D273-K276 WeakPolarHBondContact O-CG 3.49Å; D273-K276 PolarHBondContact O-N 2.9Å; D273-K276 WeakPolarHBondContact OD1-CE 3.37Å; D273-K276 IonicContact OD1-NZ 2.9Å; D273-K276 PolarHBondContact OD1-NZ 3Å
274	P	96	Very high	96.1	Very high	83 Å²	83	64.2 Å²	64.2	54%	0.539	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-60.5	-15.1	175.2	-25.7	36.5	0	0	0	114.5	V272	V272-P274 VanDerWaalsContact C-CD 3.43Å; V272-P274 VanDerWaalsContact C-N 3.34Å
275	L	96.5	Very high	96.1	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.01	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-92.6	2.2	-177.4	-53.4	173.2	0	0	0	113.3	F259 Y271 V272 D273 E277 I278 A279 A336 I339	F259-L275 HydrophobicContact CE1-CD1 3.37Å; F259-L275 HydrophobicContact CE2-CD1 4.48Å; F259-L275 HydrophobicContact CZ-CD1 3.34Å; Y271-L275 VanDerWaalsContact O-CD1 3.27Å; Y271-L275 WeakPolarHBondContact O-CD1 3.43Å; Y271-L275 WeakPolarHBondContact O-CG 3.39Å; V272-L275 VanDerWaalsContact O-CB 3.27Å; V272-L275 WeakPolarHBondContact O-CB 3.26Å; V272-L275 PolarHBondContact O-N 2.92Å; D273-L275 PolarHBondContact O-N 2.82Å; L275-E277 VanDerWaalsContact C-N 3.27Å; L275-E277 PolarHBondContact O-N 3.38Å; L275-I278 HydrophobicContact CD2-CD1 3.95Å; L275-I278 CarbonylContact O-C 3.56Å; L275-I278 WeakPolarHBondContact O-CA 3.33Å; L275-I278 WeakPolarHBondContact O-CB 3.42Å; L275-I278 PolarHBondContact O-N 3.42Å; L275-A279 PolarHBondContact O-N 2.85Å; L275-A336 HydrophobicContact CD2-CB 3.9Å; L275-I339 HydrophobicContact CD1-CD1 3.36Å; L275-I339 HydrophobicContact CD2-CD1 4Å; L275-I339 HydrophobicContact CG-CD1 4.33Å
276	K	96.1	Very high	96.1	Very high	79 Å²	79	58 Å²	58	34%	0.343	28%	0.284	S	S	.	.	H	α-helix	trans	-53.2	-41	-179.2	-79	174.7	-179	158.8	0	113.5	L236 I237 D273 I278 A279 K280	L236-K276 HydrophobicContact CD1-CB 4.49Å; I237-K276 HydrophobicContact CD1-CG 3.81Å; I237-K276 HydrophobicContact CG1-CG 4.42Å; D273-K276 WeakPolarHBondContact O-CG 3.49Å; D273-K276 PolarHBondContact O-N 2.9Å; D273-K276 WeakPolarHBondContact OD1-CE 3.37Å; D273-K276 IonicContact OD1-NZ 2.9Å; D273-K276 PolarHBondContact OD1-NZ 3Å; K276-I278 VanDerWaalsContact C-N 3.33Å; K276-I278 PolarHBondContact O-N 3.38Å; K276-A279 PolarHBondContact O-N 2.75Å; K276-K280 WeakPolarHBondContact O-CB 3.44Å; K276-K280 PolarHBondContact O-N 2.72Å
277	E	95.8	Very high	96.1	Very high	142 Å²	142	57.3 Å²	57.3	66%	0.664	27%	0.273	S	S	*	.	H	α-helix	trans	-67.2	-35	177.1	-65.2	-55.6	127.5	0	0	112.4	L275 K280 K281	L275-E277 VanDerWaalsContact C-N 3.27Å; L275-E277 PolarHBondContact O-N 3.38Å; E277-K280 PolarHBondContact O-N 3.42Å; E277-K281 PolarHBondContact O-N 2.85Å; E277-K281 VanDerWaalsContact O-N 3.08Å
278	I	97.1	Very high	96.2	Very high	19 Å²	19	55.7 Å²	55.7	10%	0.097	27%	0.266	C	S	.	.	H	α-helix	trans	-69	-48.3	173.7	-64.9	177.7	0	0	0	109.6	L275 K276 K280 K281 Y282 F288 A336 E340 L343	L275-I278 HydrophobicContact CD2-CD1 3.95Å; L275-I278 CarbonylContact O-C 3.56Å; L275-I278 WeakPolarHBondContact O-CA 3.33Å; L275-I278 WeakPolarHBondContact O-CB 3.42Å; L275-I278 PolarHBondContact O-N 3.42Å; K276-I278 VanDerWaalsContact C-N 3.33Å; K276-I278 PolarHBondContact O-N 3.38Å; I278-K280 PolarHBondContact O-N 2.85Å; I278-K281 WeakPolarHBondContact O-CB 3.4Å; I278-K281 PolarHBondContact O-N 3.08Å; I278-Y282 HydrophobicContact CG2-CD2 3.73Å; I278-Y282 HydrophobicContact CG2-CE2 3.88Å; I278-Y282 VanDerWaalsContact O-CD2 3.3Å; I278-Y282 WeakPolarHBondContact O-CD2 3.32Å; I278-Y282 PolarHBondContact O-N 3.35Å; I278-F288 HydrophobicContact CG2-CE1 4.31Å; I278-F288 HydrophobicContact CG2-CZ 3.93Å; I278-A336 HydrophobicContact CD1-CB 3.63Å; I278-A336 WeakPolarHBondContact CD1-O 3.34Å; I278-E340 HydrophobicContact CD1-CB 4.32Å; I278-L343 HydrophobicContact CG2-CD1 4.21Å
279	A	97.3	Very high	96.3	Very high	2 Å²	2	54.5 Å²	54.5	2%	0.017	26%	0.26	C	S	.	.	H	α-helix	trans	-56.1	-38	176.2	0	0	0	0	0	111.5	L236 I237 L275 K276 Y282 R283 F288	L236-A279 HydrophobicContact CB-CB 4.22Å; I237-A279 HydrophobicContact CG1-CB 4.29Å; L275-A279 PolarHBondContact O-N 2.85Å; K276-A279 PolarHBondContact O-N 2.75Å; A279-Y282 PolarHBondContact O-N 3.48Å; A279-R283 WeakPolarHBondContact O-CA 3.44Å; A279-R283 PolarHBondContact O-N 3.03Å; A279-R283 VanDerWaalsContact O-N 3.07Å; A279-F288 HydrophobicContact CB-CB 4.27Å; A279-F288 HydrophobicContact CB-CD1 3.78Å; A279-F288 HydrophobicContact CB-CD2 4.04Å; A279-F288 HydrophobicContact CB-CE1 4.05Å; A279-F288 HydrophobicContact CB-CE2 4.31Å; A279-F288 HydrophobicContact CB-CG 3.78Å; A279-F288 HydrophobicContact CB-CZ 4.29Å
280	K	96.4	Very high	96.3	Very high	88 Å²	88	49.5 Å²	49.5	38%	0.383	24%	0.237	S	C	.	.	H	α-helix	trans	-65.3	-42.2	175.5	-172.9	169.2	179.6	167.4	0	112.4	D211 L236 K276 E277 I278 Y282 R283	D211-K280 IonicContact OD1-NZ 2.67Å; D211-K280 IonicContact OD2-NZ 2.72Å; D211-K280 PolarHBondContact OD2-NZ 3.24Å; L236-K280 HydrophobicContact CD1-CB 4.04Å; L236-K280 VanDerWaalsContact CD2-CA 3.43Å; L236-K280 HydrophobicContact CD2-CB 3.73Å; L236-K280 HydrophobicContact CD2-CG 4.22Å; K276-K280 WeakPolarHBondContact O-CB 3.44Å; K276-K280 PolarHBondContact O-N 2.72Å; E277-K280 PolarHBondContact O-N 3.42Å; I278-K280 PolarHBondContact O-N 2.85Å; K280-Y282 VanDerWaalsContact C-N 3.33Å; K280-Y282 PolarHBondContact O-N 3.35Å; K280-R283 VanDerWaalsContact O-CB 3.31Å; K280-R283 WeakPolarHBondContact O-CB 3.25Å; K280-R283 PolarHBondContact O-N 3.28Å
281	K	96.5	Very high	96.4	Very high	131 Å²	131	43.3 Å²	43.3	57%	0.57	21%	0.21	S	C	*	.	H	α-helix	trans	-62.6	-37.2	176.5	178.1	-178.7	173.8	-177.9	0	112.9	E277 I278 E340	E277-K281 PolarHBondContact O-N 2.85Å; E277-K281 VanDerWaalsContact O-N 3.08Å; I278-K281 WeakPolarHBondContact O-CB 3.4Å; I278-K281 PolarHBondContact O-N 3.08Å; K281-E340 IonicContact NZ-OE1 3Å; K281-E340 PolarHBondContact NZ-OE1 3.4Å
282	Y	96.6	Very high	96.4	Very high	20 Å²	20	40.4 Å²	40.4	8%	0.078	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	10.3	-178.1	-70.5	-77.1	0	0	0	113.8	I278 A279 K280 D284 D285 I286 E340 L343 L347	I278-Y282 HydrophobicContact CG2-CD2 3.73Å; I278-Y282 HydrophobicContact CG2-CE2 3.88Å; I278-Y282 VanDerWaalsContact O-CD2 3.3Å; I278-Y282 WeakPolarHBondContact O-CD2 3.32Å; I278-Y282 PolarHBondContact O-N 3.35Å; A279-Y282 PolarHBondContact O-N 3.48Å; K280-Y282 VanDerWaalsContact C-N 3.33Å; K280-Y282 PolarHBondContact O-N 3.35Å; Y282-D284 PolarHBondContact O-N 3.17Å; Y282-D284 VanDerWaalsContact O-N 3.08Å; Y282-D285 PolarHBondContact O-N 3.5Å; Y282-I286 HydrophobicContact CD1-CD1 4.45Å; Y282-I286 PolarHBondContact O-N 3.49Å; Y282-E340 HydrophobicContact CE2-CG 4.26Å; Y282-L343 HydrophobicContact CD2-CD1 3.89Å; Y282-L343 HydrophobicContact CE1-CB 4.43Å; Y282-L343 HydrophobicContact CE2-CB 4.47Å; Y282-L343 HydrophobicContact CE2-CD1 4.08Å; Y282-L343 HydrophobicContact CG-CD1 4.29Å; Y282-L347 HydrophobicContact CD1-CD1 3.67Å; Y282-L347 HydrophobicContact CE1-CD1 3.44Å; Y282-L347 VanDerWaalsContact CE1-CD1 3.44Å
283	R	93.6	Very high	96.3	Very high	22 Å²	22	40.9 Å²	40.9	8%	0.083	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.7	-167.6	-179.6	167.7	-171.6	72.6	-5.8	114.9	V231 L234 I253 A279 K280	V231-R283 HydrophobicContact CG1-CG 3.77Å; V231-R283 PolarHBondContact O-NH2 2.85Å; L234-R283 PolarHBondContact O-NH2 3.08Å; I253-R283 WeakPolarHBondContact CD1-O 3.47Å; A279-R283 WeakPolarHBondContact O-CA 3.44Å; A279-R283 PolarHBondContact O-N 3.03Å; A279-R283 VanDerWaalsContact O-N 3.07Å; K280-R283 VanDerWaalsContact O-CB 3.31Å; K280-R283 WeakPolarHBondContact O-CB 3.25Å; K280-R283 PolarHBondContact O-N 3.28Å
284	D	92.4	Very high	96.3	Very high	90 Å²	90	40.6 Å²	40.6	48%	0.481	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-11.9	-179	-68	-50.8	0	0	0	113.5	Y282	Y282-D284 PolarHBondContact O-N 3.17Å; Y282-D284 VanDerWaalsContact O-N 3.08Å
285	D	94.5	Very high	96.2	Very high	88 Å²	88	41 Å²	41	47%	0.471	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-37.4	-172.4	-59.6	-56.4	0	0	0	112.8	Y282 L347	Y282-D285 PolarHBondContact O-N 3.5Å; D285-L347 HydrophobicContact CB-CD2 4.31Å
286	I	97.1	Very high	95.9	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	123.3	-172	-53	-176.8	0	0	0	110.6	S255 L257 Y282 F288 L317 L343 F346 L347	S255-I286 CarbonylContact O-C 3.55Å; S255-I286 VanDerWaalsContact O-CA 3.25Å; S255-I286 WeakPolarHBondContact O-CA 3.11Å; L257-I286 HydrophobicContact CB-CG2 3.93Å; Y282-I286 HydrophobicContact CD1-CD1 4.45Å; Y282-I286 PolarHBondContact O-N 3.49Å; I286-F288 HydrophobicContact CB-CE2 4.34Å; I286-F288 HydrophobicContact CG2-CD2 4.22Å; I286-F288 HydrophobicContact CG2-CE2 4.06Å; I286-L317 HydrophobicContact CD1-CD1 4.38Å; I286-L343 HydrophobicContact CD1-CB 4.26Å; I286-L343 HydrophobicContact CD1-CD2 3.67Å; I286-L343 HydrophobicContact CD1-CG 4.35Å; I286-L343 HydrophobicContact CG2-CD2 4.45Å; I286-F346 HydrophobicContact CD1-CD1 4Å; I286-F346 HydrophobicContact CD1-CE1 4.38Å; I286-L347 HydrophobicContact CD1-CD1 4.14Å; I286-L347 HydrophobicContact CD1-CD2 4.09Å; I286-L347 HydrophobicContact CD1-CG 4.09Å; I286-L347 HydrophobicContact CG1-CD2 4.29Å
287	L	97.1	Very high	95.6	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.063	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	130.1	172.9	-168	65.4	0	0	0	110	L234 V238 I248 I253 S255 H256 L257 V289	L234-L287 HydrophobicContact CD1-CD1 4.22Å; L234-L287 HydrophobicContact CD1-CD2 4.29Å; V238-L287 HydrophobicContact CG2-CD1 3.78Å; V238-L287 HydrophobicContact CG2-CD2 4.39Å; V238-L287 HydrophobicContact CG2-CG 4.17Å; I248-L287 HydrophobicContact CB-CD2 4.35Å; I248-L287 HydrophobicContact CG1-CD2 4.02Å; I248-L287 HydrophobicContact CG2-CD2 4.2Å; I253-L287 HydrophobicContact CG2-CB 4.15Å; S255-L287 PolarHBondContact O-N 3.38Å; H256-L287 CarbonylContact C-O 3.53Å; H256-L287 VanDerWaalsContact CA-O 3.26Å; H256-L287 WeakPolarHBondContact CA-O 3.2Å; H256-L287 WeakPolarHBondContact CD2-CB 3.34Å; L257-L287 PolarHBondContact N-O 3.48Å; L287-V289 HydrophobicContact CD2-CG2 3.98Å; L287-V289 HydrophobicContact CG-CG2 3.96Å
288	F	98.2	Very high	95.5	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.7	176.4	-76.2	-133.8	0	0	0	108.2	I237 V238 L257 F259 I278 A279 I286 L343	I237-F288 HydrophobicContact CG1-CB 4.42Å; V238-F288 PolarHBondContact N-O 3.36Å; L257-F288 HydrophobicContact CB-CD2 4.4Å; L257-F288 HydrophobicContact CD2-CD1 4.02Å; L257-F288 HydrophobicContact CD2-CE1 3.68Å; L257-F288 HydrophobicContact CD2-CE2 4.43Å; L257-F288 HydrophobicContact CD2-CZ 3.91Å; L257-F288 WeakPolarHBondContact O-CA 3.45Å; F259-F288 HydrophobicContact CE2-CB 4.43Å; F259-F288 AromaticContact CE2-CD1 3.55Å; F259-F288 HydrophobicContact CE2-CD1 3.55Å; F259-F288 HydrophobicContact CE2-CE1 4.16Å; F259-F288 HydrophobicContact CE2-CG 4.26Å; F259-F288 HydrophobicContact CZ-CD1 4.01Å; F259-F288 HydrophobicContact CZ-CE1 4.22Å; I278-F288 HydrophobicContact CG2-CE1 4.31Å; I278-F288 HydrophobicContact CG2-CZ 3.93Å; A279-F288 HydrophobicContact CB-CB 4.27Å; A279-F288 HydrophobicContact CB-CD1 3.78Å; A279-F288 HydrophobicContact CB-CD2 4.04Å; A279-F288 HydrophobicContact CB-CE1 4.05Å; A279-F288 HydrophobicContact CB-CE2 4.31Å; A279-F288 HydrophobicContact CB-CG 3.78Å; A279-F288 HydrophobicContact CB-CZ 4.29Å; I286-F288 HydrophobicContact CB-CE2 4.34Å; I286-F288 HydrophobicContact CG2-CD2 4.22Å; I286-F288 HydrophobicContact CG2-CE2 4.06Å; F288-L343 HydrophobicContact CE1-CD1 4.43Å; F288-L343 HydrophobicContact CE2-CD1 3.99Å; F288-L343 HydrophobicContact CZ-CD1 3.44Å; F288-L343 VanDerWaalsContact CZ-CD1 3.44Å
289	V	98.2	Very high	95.2	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	132.6	-173.6	-176.3	0	0	0	0	109.9	V238 F240 I248 L257 L258 F259 L287 I291	V238-V289 HydrophobicContact CB-CG2 4.5Å; V238-V289 CarbonylContact O-C 3.5Å; V238-V289 WeakPolarHBondContact O-CA 3.49Å; V238-V289 WeakPolarHBondContact O-CG1 3.29Å; F240-V289 HydrophobicContact CB-CG1 3.77Å; F240-V289 HydrophobicContact CD2-CG1 4.4Å; I248-V289 HydrophobicContact CD1-CG1 3.88Å; I248-V289 HydrophobicContact CD1-CG2 4.28Å; I248-V289 HydrophobicContact CG2-CG2 4.41Å; L257-V289 PolarHBondContact O-N 2.99Å; L258-V289 CarbonylContact C-O 3.47Å; L258-V289 WeakPolarHBondContact CA-O 3.27Å; L258-V289 HydrophobicContact CD2-CB 3.72Å; L258-V289 HydrophobicContact CD2-CG1 4.23Å; L258-V289 HydrophobicContact CD2-CG2 4.16Å; F259-V289 PolarHBondContact N-O 2.88Å; L287-V289 HydrophobicContact CD2-CG2 3.98Å; L287-V289 HydrophobicContact CG-CG2 3.96Å; V289-I291 HydrophobicContact CG1-CG1 4.48Å
290	T	98.2	Very high	94.6	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.031	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	135.4	169.5	52.2	0	0	0	0	110.7	I237 V238 D239 F240 F259 V261 V272	I237-T290 HydrophobicContact CG2-CG2 3.81Å; V238-T290 PolarHBondContact O-N 2.83Å; D239-T290 WeakPolarHBondContact CA-OG1 3.41Å; D239-T290 PolarHBondContact OD1-OG1 3.31Å; F240-T290 VanDerWaalsContact CB-O 3.23Å; F240-T290 WeakPolarHBondContact CB-O 3.49Å; F240-T290 PolarHBondContact N-O 2.98Å; F259-T290 HydrophobicContact CB-CG2 4.15Å; F259-T290 CarbonylContact O-C 3.47Å; F259-T290 WeakPolarHBondContact O-CA 3.39Å; V261-T290 HydrophobicContact CG2-CG2 4.17Å; V272-T290 HydrophobicContact CB-CG2 4.47Å; V272-T290 HydrophobicContact CG1-CG2 3.74Å; V272-T290 HydrophobicContact CG2-CG2 4.21Å
291	I	97.1	Very high	94.3	Very high	4 Å²	4	52 Å²	52	2%	0.021	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	113	173.2	-64.5	163.8	0	0	0	106.9	F240 L258 F259 F260 V261 V289 H298 I301 F302	F240-I291 HydrophobicContact CB-CG1 3.79Å; F240-I291 HydrophobicContact CG-CG1 4.18Å; L258-I291 HydrophobicContact CB-CD1 4.16Å; L258-I291 HydrophobicContact CD1-CD1 3.9Å; L258-I291 HydrophobicContact CD2-CD1 4.23Å; L258-I291 HydrophobicContact CG-CD1 4.32Å; F259-I291 PolarHBondContact O-N 3.07Å; F260-I291 WeakPolarHBondContact CA-O 3.22Å; F260-I291 HydrophobicContact CD1-CB 4.18Å; F260-I291 HydrophobicContact CD1-CG2 4.14Å; F260-I291 HydrophobicContact CE1-CB 4.25Å; F260-I291 HydrophobicContact CE1-CD1 3.89Å; F260-I291 HydrophobicContact CE1-CG2 4.12Å; F260-I291 HydrophobicContact CZ-CD1 3.83Å; V261-I291 PolarHBondContact N-O 3.42Å; V289-I291 HydrophobicContact CG1-CG1 4.48Å; I291-H298 HydrophobicContact CG2-CB 3.94Å; I291-I301 HydrophobicContact CD1-CG2 3.79Å; I291-I301 HydrophobicContact CG2-CD1 4.32Å; I291-I301 HydrophobicContact CG2-CG2 4.48Å; I291-F302 HydrophobicContact CG2-CE2 4.22Å
292	S	96.2	Very high	94.1	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.014	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	129.9	-176.9	-177.9	0	0	0	0	111.6	V261 D294 H298	V261-S292 CarbonylContact O-C 3.52Å; V261-S292 VanDerWaalsContact O-CA 3.23Å; V261-S292 WeakPolarHBondContact O-CA 3.37Å; S292-D294 PolarHBondContact O-N 2.87Å; S292-D294 WeakPolarHBondContact OG-CB 3.21Å; S292-D294 PolarHBondContact OG-N 3.23Å; S292-D294 VanDerWaalsContact OG-N 3.16Å; S292-D294 PolarHBondContact OG-OD2 3.22Å; S292-H298 PolarHBondContact N-ND1 2.84Å; S292-H298 PolarHBondContact O-ND1 3.41Å
293	S	95.9	Very high	93.6	Very high	10 Å²	10	50 Å²	50	7%	0.07	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-14	169.4	57.9	0	0	0	0	113.5	V261 S262 E295 K309	V261-S293 PolarHBondContact O-N 3.05Å; V261-S293 PolarHBondContact O-OG 3.08Å; S262-S293 WeakPolarHBondContact CA-OG 3.1Å; S262-S293 WeakPolarHBondContact CB-OG 3.23Å; S293-E295 VanDerWaalsContact C-N 3.31Å; S293-K309 WeakPolarHBondContact O-CE 3.47Å; S293-K309 PolarHBondContact O-NZ 3.32Å
294	D	95.3	Very high	93.3	Very high	50 Å²	50	52.6 Å²	52.6	27%	0.267	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-17.5	-176.9	-46.7	-29.7	0	0	0	111	S262 R263 E264 S292	S262-D294 WeakPolarHBondContact CA-OD2 3.3Å; S262-D294 WeakPolarHBondContact CB-OD1 3.48Å; S262-D294 VanDerWaalsContact OG-CG 3.28Å; S262-D294 PolarHBondContact OG-OD1 3.49Å; S262-D294 PolarHBondContact OG-OD2 3.37Å; S262-D294 VanDerWaalsContact OG-OD2 3.14Å; R263-D294 WeakPolarHBondContact CA-OD2 3.18Å; R263-D294 PolarHBondContact N-OD2 3.48Å; E264-D294 HydrophobicContact CG-CB 4.43Å; E264-D294 PolarHBondContact N-OD2 2.97Å; S292-D294 PolarHBondContact O-N 2.87Å; S292-D294 WeakPolarHBondContact OG-CB 3.21Å; S292-D294 PolarHBondContact OG-N 3.23Å; S292-D294 VanDerWaalsContact OG-N 3.16Å; S292-D294 PolarHBondContact OG-OD2 3.22Å
295	E	93.7	Very high	93.2	Very high	90 Å²	90	48.6 Å²	48.6	42%	0.421	23%	0.234	S	C	.	.			trans	-90.5	121.1	178.1	-57.7	-68.8	167	0	0	110.4	S293 D297 H298	S293-E295 VanDerWaalsContact C-N 3.31Å; E295-D297 VanDerWaalsContact C-N 3.29Å; E295-D297 PolarHBondContact O-N 2.83Å; E295-H298 HydrophobicContact CB-CB 4.4Å; E295-H298 PolarHBondContact O-N 2.72Å
296	E	91.5	Very high	92.9	Very high	162 Å²	162	46.5 Å²	46.5	76%	0.757	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-63.7	-35	-179.6	-67.6	-171.9	168.3	0	0	112.6	H298 T299	E296-H298 PolarHBondContact O-N 2.94Å; E296-H298 VanDerWaalsContact O-N 3.13Å; E296-T299 WeakPolarHBondContact O-CB 3.47Å; E296-T299 PolarHBondContact O-N 3.35Å; E296-T299 PolarHBondContact O-OG1 2.98Å
297	D	89.8	Confident	92.4	Very high	124 Å²	124	47 Å²	47	66%	0.663	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-64.8	-17.1	179.7	-71.4	-25.2	0	0	0	113	H242 E295 T299	H242-D297 IonicContact NE2-OD2 2.62Å; E295-D297 VanDerWaalsContact C-N 3.29Å; E295-D297 PolarHBondContact O-N 2.83Å; D297-T299 VanDerWaalsContact C-N 3.32Å
298	H	92.7	Very high	91.9	Very high	13 Å²	13	50.1 Å²	50.1	6%	0.06	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-81.3	-7.9	175.9	-64.3	171.1	0	0	0	113.5	F240 I291 S292 E295 E296 R300 I301 F302	F240-H298 AromaticContact CD1-NE2 3.57Å; F240-H298 PolarHBondContact O-CE1 3.47Å; F240-H298 PolarHBondContact O-NE2 3.18Å; I291-H298 HydrophobicContact CG2-CB 3.94Å; S292-H298 PolarHBondContact N-ND1 2.84Å; S292-H298 PolarHBondContact O-ND1 3.41Å; E295-H298 HydrophobicContact CB-CB 4.4Å; E295-H298 PolarHBondContact O-N 2.72Å; E296-H298 PolarHBondContact O-N 2.94Å; E296-H298 VanDerWaalsContact O-N 3.13Å; H298-R300 PolarHBondContact O-N 2.67Å; H298-R300 VanDerWaalsContact O-N 3.16Å; H298-I301 HydrophobicContact CB-CD1 4.4Å; H298-I301 WeakPolarHBondContact O-CA 3.32Å; H298-I301 VanDerWaalsContact O-CB 3.32Å; H298-I301 WeakPolarHBondContact O-CB 3.23Å; H298-I301 PolarHBondContact O-N 2.96Å; H298-F302 HydrophobicContact CB-CD2 4.47Å; H298-F302 HydrophobicContact CB-CE2 4.43Å; H298-F302 WeakPolarHBondContact O-CD2 3.45Å; H298-F302 PolarHBondContact O-N 2.89Å; H298-F302 VanDerWaalsContact O-N 3.17Å
299	T	90.4	Very high	91.4	Very high	58 Å²	58	55.4 Å²	55.4	36%	0.356	28%	0.275	S	S	.	.	H	α-helix	trans	-52.4	-41.9	-178.4	-57.5	0	0	0	0	112.4	E296 D297 I301 F302 E303	E296-T299 WeakPolarHBondContact O-CB 3.47Å; E296-T299 PolarHBondContact O-N 3.35Å; E296-T299 PolarHBondContact O-OG1 2.98Å; D297-T299 VanDerWaalsContact C-N 3.32Å; T299-I301 PolarHBondContact O-N 2.94Å; T299-F302 WeakPolarHBondContact O-CB 3.39Å; T299-F302 PolarHBondContact O-N 3.33Å; T299-E303 WeakPolarHBondContact O-CG 3.46Å; T299-E303 PolarHBondContact O-N 3.4Å
300	R	84.9	Confident	91	Very high	175 Å²	175	63.9 Å²	63.9	66%	0.66	31%	0.314	S	S	*	.	H	α-helix	trans	-65	-27.7	177.8	-67.7	-175	-176.5	172.8	3.7	113.6	H298 F304	H298-R300 PolarHBondContact O-N 2.67Å; H298-R300 VanDerWaalsContact O-N 3.16Å; R300-F304 WeakPolarHBondContact O-CB 3.49Å; R300-F304 PolarHBondContact O-N 3.12Å
301	I	90	Very high	90.7	Very high	33 Å²	33	66.7 Å²	66.7	17%	0.169	33%	0.327	C	S	.	.	H	α-helix	trans	-73.2	-43.7	176.1	-52.4	174.8	0	0	0	109	F240 F260 I291 H298 T299 E303 F304 F305	F240-I301 HydrophobicContact CD1-CD1 3.77Å; F240-I301 HydrophobicContact CE1-CD1 3.36Å; F240-I301 HydrophobicContact CZ-CD1 3.92Å; F260-I301 HydrophobicContact CE1-CG2 4.01Å; F260-I301 HydrophobicContact CZ-CG2 4.29Å; I291-I301 HydrophobicContact CD1-CG2 3.79Å; I291-I301 HydrophobicContact CG2-CD1 4.32Å; I291-I301 HydrophobicContact CG2-CG2 4.48Å; H298-I301 HydrophobicContact CB-CD1 4.4Å; H298-I301 WeakPolarHBondContact O-CA 3.32Å; H298-I301 VanDerWaalsContact O-CB 3.32Å; H298-I301 WeakPolarHBondContact O-CB 3.23Å; H298-I301 PolarHBondContact O-N 2.96Å; T299-I301 PolarHBondContact O-N 2.94Å; I301-E303 VanDerWaalsContact C-N 3.34Å; I301-E303 PolarHBondContact O-N 3.05Å; I301-F304 WeakPolarHBondContact O-CB 3.39Å; I301-F304 PolarHBondContact O-N 2.95Å; I301-F305 HydrophobicContact CG2-CD2 4Å; I301-F305 HydrophobicContact CG2-CE2 4.02Å; I301-F305 VanDerWaalsContact O-CD2 3.3Å; I301-F305 WeakPolarHBondContact O-CD2 3.45Å; I301-F305 PolarHBondContact O-N 3.28Å; I301-F305 VanDerWaalsContact O-N 3.08Å
302	F	91.9	Very high	90.7	Very high	9 Å²	9	67.6 Å²	67.6	4%	0.039	33%	0.333	C	S	.	.	H	α-helix	trans	-56.8	-48	172.9	-82.8	-98.8	0	0	0	111.5	F260 I291 H298 T299 F304 F305 G306 M307 V312	F260-F302 HydrophobicContact CB-CE1 4.11Å; F260-F302 HydrophobicContact CB-CZ 4.03Å; F260-F302 HydrophobicContact CD1-CD1 4.15Å; F260-F302 HydrophobicContact CD1-CD2 4.13Å; F260-F302 AromaticContact CD1-CE1 3.8Å; F260-F302 HydrophobicContact CD1-CE1 3.8Å; F260-F302 AromaticContact CD1-CE2 3.79Å; F260-F302 HydrophobicContact CD1-CE2 3.79Å; F260-F302 HydrophobicContact CD1-CG 4.3Å; F260-F302 AromaticContact CD1-CZ 3.61Å; F260-F302 HydrophobicContact CD1-CZ 3.61Å; F260-F302 HydrophobicContact CE1-CD2 4.42Å; F260-F302 HydrophobicContact CE1-CE2 4.45Å; F260-F302 HydrophobicContact CG-CE1 4.35Å; F260-F302 HydrophobicContact CG-CZ 4.3Å; I291-F302 HydrophobicContact CG2-CE2 4.22Å; H298-F302 HydrophobicContact CB-CD2 4.47Å; H298-F302 HydrophobicContact CB-CE2 4.43Å; H298-F302 WeakPolarHBondContact O-CD2 3.45Å; H298-F302 PolarHBondContact O-N 2.89Å; H298-F302 VanDerWaalsContact O-N 3.17Å; T299-F302 WeakPolarHBondContact O-CB 3.39Å; T299-F302 PolarHBondContact O-N 3.33Å; F302-F304 PolarHBondContact O-N 3.36Å; F302-F305 CarbonylContact O-C 3.59Å; F302-F305 PolarHBondContact O-N 3.5Å; F302-F305 VanDerWaalsContact O-N 3.15Å; F302-G306 PolarHBondContact O-N 3Å; F302-M307 CarbonylContact C-O 3.58Å; F302-M307 HydrophobicContact CD1-CB 4.24Å; F302-M307 PolarHBondContact O-N 2.63Å; F302-V312 HydrophobicContact CE1-CG2 3.5Å; F302-V312 HydrophobicContact CZ-CG2 3.86Å
303	E	87.5	Confident	90.7	Very high	98 Å²	98	69 Å²	69	46%	0.458	34%	0.342	S	S	.	.	H	α-helix	trans	-57.9	-45.1	174.5	-70	170.9	175	0	0	111.9	T299 I301 F305 G306	T299-E303 WeakPolarHBondContact O-CG 3.46Å; T299-E303 PolarHBondContact O-N 3.4Å; I301-E303 VanDerWaalsContact C-N 3.34Å; I301-E303 PolarHBondContact O-N 3.05Å; E303-F305 PolarHBondContact O-N 2.88Å; E303-G306 WeakPolarHBondContact O-CA 3.37Å; E303-G306 PolarHBondContact O-N 3.47Å
304	F	86.7	Confident	90.8	Very high	77 Å²	77	68.8 Å²	68.8	34%	0.338	34%	0.34	S	S	.	.	H	α-helix	trans	-59.9	-31.8	177.9	179.3	-105.6	0	0	0	112.9	R300 I301 F302 I318 M324 K326	R300-F304 WeakPolarHBondContact O-CB 3.49Å; R300-F304 PolarHBondContact O-N 3.12Å; I301-F304 WeakPolarHBondContact O-CB 3.39Å; I301-F304 PolarHBondContact O-N 2.95Å; F302-F304 PolarHBondContact O-N 3.36Å; F304-I318 HydrophobicContact CE1-CD1 3.86Å; F304-M324 HydrophobicContact CZ-CB 4.42Å; F304-M324 HydrophobicContact CZ-SD 3.94Å; F304-K326 WeakPolarHBondContact O-CE 2.91Å; F304-K326 PolarHBondContact O-NZ 2.92Å
305	F	90.2	Very high	90.9	Very high	7 Å²	7	66.5 Å²	66.5	3%	0.031	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	6.4	174.3	-76.2	-81.1	0	0	0	113.6	L258 F260 I301 F302 E303 M307 R316 I318 K326	L258-F305 HydrophobicContact CD1-CD2 4.44Å; L258-F305 HydrophobicContact CD1-CE1 4.12Å; L258-F305 HydrophobicContact CD1-CE2 3.43Å; L258-F305 VanDerWaalsContact CD1-CE2 3.43Å; L258-F305 HydrophobicContact CD1-CZ 3.24Å; F260-F305 HydrophobicContact CE1-CD2 4.23Å; F260-F305 HydrophobicContact CE2-CD2 4.39Å; F260-F305 HydrophobicContact CE2-CG 4.48Å; F260-F305 HydrophobicContact CZ-CB 4.33Å; F260-F305 AromaticContact CZ-CD2 3.49Å; F260-F305 HydrophobicContact CZ-CD2 3.49Å; F260-F305 VanDerWaalsContact CZ-CD2 3.49Å; F260-F305 AromaticContact CZ-CE2 3.93Å; F260-F305 HydrophobicContact CZ-CE2 3.93Å; F260-F305 AromaticContact CZ-CG 3.92Å; F260-F305 HydrophobicContact CZ-CG 3.92Å; I301-F305 HydrophobicContact CG2-CD2 4Å; I301-F305 HydrophobicContact CG2-CE2 4.02Å; I301-F305 VanDerWaalsContact O-CD2 3.3Å; I301-F305 WeakPolarHBondContact O-CD2 3.45Å; I301-F305 PolarHBondContact O-N 3.28Å; I301-F305 VanDerWaalsContact O-N 3.08Å; F302-F305 CarbonylContact O-C 3.59Å; F302-F305 PolarHBondContact O-N 3.5Å; F302-F305 VanDerWaalsContact O-N 3.15Å; E303-F305 PolarHBondContact O-N 2.88Å; F305-M307 HydrophobicContact CB-CE 3.47Å; F305-M307 VanDerWaalsContact CB-CE 3.47Å; F305-M307 HydrophobicContact CB-CG 4.38Å; F305-M307 HydrophobicContact CB-SD 4.48Å; F305-M307 HydrophobicContact CG-CE 4.21Å; F305-M307 PolarHBondContact O-N 2.65Å; F305-R316 HydrophobicContact CB-CG 4.45Å; F305-R316 HydrophobicContact CD1-CB 3.75Å; F305-R316 HydrophobicContact CD1-CG 3.78Å; F305-R316 HydrophobicContact CE1-CB 3.87Å; F305-R316 HydrophobicContact CE1-CG 4.42Å; F305-R316 HydrophobicContact CG-CG 4.32Å; F305-I318 HydrophobicContact CE1-CB 4.2Å; F305-I318 HydrophobicContact CE1-CD1 4.3Å; F305-I318 HydrophobicContact CZ-CB 4.02Å; F305-I318 HydrophobicContact CZ-CD1 3.76Å; F305-I318 HydrophobicContact CZ-CG1 4.45Å; F305-I318 HydrophobicContact CZ-CG2 4.28Å; F305-K326 HydrophobicContact CD1-CD 4.11Å; F305-K326 HydrophobicContact CD1-CG 4.23Å; F305-K326 HydrophobicContact CE1-CB 4.49Å; F305-K326 HydrophobicContact CE1-CD 4.22Å; F305-K326 HydrophobicContact CE1-CG 3.92Å
306	G	87.2	Confident	91	Very high	44 Å²	44	62.4 Å²	62.4	45%	0.454	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	33	-179.5	0	0	0	0	0	113.4	F302 E303	F302-G306 PolarHBondContact O-N 3Å; E303-G306 WeakPolarHBondContact O-CA 3.37Å; E303-G306 PolarHBondContact O-N 3.47Å
307	M	88.6	Confident	91.3	Very high	13 Å²	13	54.7 Å²	54.7	6%	0.064	27%	0.273	C	S	.	.			trans	-114.5	154.4	-177.7	-64.6	-179	-58.4	0	0	112.1	F260 F302 F305 E311 T314 R316	F260-M307 HydrophobicContact CB-CE 4.43Å; F260-M307 HydrophobicContact CD1-CE 3.6Å; F260-M307 HydrophobicContact CD2-CE 3.35Å; F260-M307 HydrophobicContact CD2-SD 4.39Å; F260-M307 HydrophobicContact CE1-CE 3.54Å; F260-M307 HydrophobicContact CE2-CE 3.32Å; F260-M307 HydrophobicContact CG-CE 3.51Å; F260-M307 HydrophobicContact CZ-CE 3.41Å; F260-M307 VanDerWaalsContact CZ-CE 3.41Å; F302-M307 CarbonylContact C-O 3.58Å; F302-M307 HydrophobicContact CD1-CB 4.24Å; F302-M307 PolarHBondContact O-N 2.63Å; F305-M307 HydrophobicContact CB-CE 3.47Å; F305-M307 VanDerWaalsContact CB-CE 3.47Å; F305-M307 HydrophobicContact CB-CG 4.38Å; F305-M307 HydrophobicContact CB-SD 4.48Å; F305-M307 HydrophobicContact CG-CE 4.21Å; F305-M307 PolarHBondContact O-N 2.65Å; M307-E311 WeakPolarHBondContact CA-OE2 3.32Å; M307-T314 HydrophobicContact CE-CG2 4.4Å; M307-T314 HydrophobicContact SD-CG2 3.48Å; M307-T314 WeakPolarHBondContact SD-CG2 3.45Å; M307-R316 HydrophobicContact CE-CG 3.91Å; M307-R316 HydrophobicContact SD-CG 3.87Å; M307-R316 PolarHBondContact SD-NH2 2.87Å
308	N	86	Confident	91.5	Very high	77 Å²	77	49.1 Å²	49.1	41%	0.412	24%	0.243	S	C	.	.			trans	-110.9	172.7	170.1	65.7	46.8	0	0	0	111.7	E310 E311	N308-E310 PolarHBondContact O-N 3.28Å; N308-E310 WeakPolarHBondContact OD1-CA 3.32Å; N308-E310 VanDerWaalsContact OD1-CB 3.28Å; N308-E310 WeakPolarHBondContact OD1-CB 3.44Å; N308-E310 PolarHBondContact OD1-N 3.41Å; N308-E311 PolarHBondContact N-OE2 2.96Å; N308-E311 VanDerWaalsContact N-OE2 3.09Å; N308-E311 PolarHBondContact O-N 2.87Å; N308-E311 PolarHBondContact OD1-N 3.31Å
309	K	87.4	Confident	91.5	Very high	112 Å²	112	51.3 Å²	51.3	49%	0.487	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-68.3	-18.3	179.7	-64.1	-167.1	-178.4	-160.3	0	113.5	S293 E311 V312	S293-K309 WeakPolarHBondContact O-CE 3.47Å; S293-K309 PolarHBondContact O-NZ 3.32Å; K309-E311 VanDerWaalsContact C-N 3.33Å; K309-V312 WeakPolarHBondContact O-CB 3.41Å; K309-V312 PolarHBondContact O-N 2.8Å
310	E	89.7	Confident	91.3	Very high	178 Å²	178	50 Å²	50	83%	0.832	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-76.9	-21.8	-179.7	-53.2	-178.4	167.3	0	0	112.3	N308 V312	N308-E310 PolarHBondContact O-N 3.28Å; N308-E310 WeakPolarHBondContact OD1-CA 3.32Å; N308-E310 VanDerWaalsContact OD1-CB 3.28Å; N308-E310 WeakPolarHBondContact OD1-CB 3.44Å; N308-E310 PolarHBondContact OD1-N 3.41Å; E310-V312 PolarHBondContact O-N 2.86Å
311	E	92.4	Very high	91	Very high	64 Å²	64	46.3 Å²	46.3	30%	0.299	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-76.7	-5	173.3	-69.8	176.5	84.7	0	0	113.3	M307 N308 K309 P313 T314 R316	M307-E311 WeakPolarHBondContact CA-OE2 3.32Å; N308-E311 PolarHBondContact N-OE2 2.96Å; N308-E311 VanDerWaalsContact N-OE2 3.09Å; N308-E311 PolarHBondContact O-N 2.87Å; N308-E311 PolarHBondContact OD1-N 3.31Å; K309-E311 VanDerWaalsContact C-N 3.33Å; E311-P313 CarbonylContact O-C 3.58Å; E311-T314 HydrophobicContact CB-CG2 4.46Å; E311-T314 WeakPolarHBondContact O-CB 3.43Å; E311-R316 IonicContact OE1-NH2 2.72Å
312	V	96.2	Very high	89.9	Confident	23 Å²	23	54.4 Å²	54.4	14%	0.139	27%	0.27	C	S	.	.			trans	-79.1	131.9	-178.6	176.5	0	0	0	0	110.4	F260 F302 K309 E310	F260-V312 HydrophobicContact CB-CG2 4.48Å; F302-V312 HydrophobicContact CE1-CG2 3.5Å; F302-V312 HydrophobicContact CZ-CG2 3.86Å; K309-V312 WeakPolarHBondContact O-CB 3.41Å; K309-V312 PolarHBondContact O-N 2.8Å; E310-V312 PolarHBondContact O-N 2.86Å
313	P	97	Very high	88.9	Confident	32 Å²	32	56.6 Å²	56.6	21%	0.208	28%	0.282	C	S	.	.	S	Bend	cis	-87.2	142.5	4.9	34.4	-32.6	0	0	0	113.4	F260 V261 H267 Y271 E311 L334	F260-P313 VanDerWaalsContact O-CA 3.28Å; F260-P313 WeakPolarHBondContact O-CA 3.4Å; V261-P313 HydrophobicContact CG1-CB 4.32Å; H267-P313 HydrophobicContact CB-CB 4.47Å; Y271-P313 HydrophobicContact CD2-CB 4.38Å; Y271-P313 HydrophobicContact CD2-CG 3.97Å; Y271-P313 HydrophobicContact CE2-CG 3.7Å; E311-P313 CarbonylContact O-C 3.58Å; P313-L334 HydrophobicContact CB-CD1 3.74Å; P313-L334 HydrophobicContact CG-CD1 3.86Å
314	T	97	Very high	88.8	Confident	5 Å²	5	56.7 Å²	56.7	3%	0.031	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	172.1	175.3	-167.8	0	0	0	0	111	F260 M307 E311 R316	F260-T314 HydrophobicContact CB-CG2 4.06Å; F260-T314 PolarHBondContact N-O 3.48Å; F260-T314 PolarHBondContact O-N 2.57Å; F260-T314 VanDerWaalsContact O-N 3.09Å; M307-T314 HydrophobicContact CE-CG2 4.4Å; M307-T314 HydrophobicContact SD-CG2 3.48Å; M307-T314 WeakPolarHBondContact SD-CG2 3.45Å; E311-T314 HydrophobicContact CB-CG2 4.46Å; E311-T314 WeakPolarHBondContact O-CB 3.43Å; T314-R316 PolarHBondContact OG1-NH1 2.94Å
315	I	97.6	Very high	88.9	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.015	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149.5	177.2	59.2	171.5	0	0	0	112	L257 L258 F259 P329 L334 I339 F342	L257-I315 HydrophobicContact CD1-CB 4.24Å; L257-I315 HydrophobicContact CD1-CD1 4.18Å; L258-I315 CarbonylContact O-C 3.59Å; L258-I315 WeakPolarHBondContact O-CA 3.05Å; F259-I315 HydrophobicContact CD1-CG2 3.29Å; F259-I315 HydrophobicContact CE1-CG2 3.44Å; F259-I315 VanDerWaalsContact CE1-CG2 3.44Å; F259-I315 HydrophobicContact CG-CG2 3.89Å; F259-I315 HydrophobicContact CZ-CG2 4.13Å; I315-P329 HydrophobicContact CD1-CB 4.4Å; I315-P329 HydrophobicContact CD1-CG 4.16Å; I315-P329 HydrophobicContact CG1-CB 4.48Å; I315-P329 HydrophobicContact CG1-CG 3.73Å; I315-P329 WeakPolarHBondContact O-CD 3.45Å; I315-L334 HydrophobicContact CD1-CD2 4.4Å; I315-L334 HydrophobicContact CG1-CD2 4.09Å; I315-L334 HydrophobicContact CG2-CD2 3.85Å; I315-I339 HydrophobicContact CD1-CG1 4.04Å; I315-F342 HydrophobicContact CD1-CD1 4.03Å; I315-F342 HydrophobicContact CD1-CE1 4.26Å
316	R	96.8	Very high	89	Confident	3 Å²	3	53.3 Å²	53.3	1%	0.011	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	146.2	164.5	-63.6	-66.8	-178.5	-82.6	-3.9	108.7	L258 F260 F305 M307 E311 T314	L258-R316 WeakPolarHBondContact CA-O 3.39Å; L258-R316 WeakPolarHBondContact CB-O 3.27Å; L258-R316 PolarHBondContact N-O 2.94Å; L258-R316 PolarHBondContact O-N 3.35Å; F260-R316 HydrophobicContact CE2-CB 4.04Å; F260-R316 HydrophobicContact CE2-CG 4.04Å; F305-R316 HydrophobicContact CB-CG 4.45Å; F305-R316 HydrophobicContact CD1-CB 3.75Å; F305-R316 HydrophobicContact CD1-CG 3.78Å; F305-R316 HydrophobicContact CE1-CB 3.87Å; F305-R316 HydrophobicContact CE1-CG 4.42Å; F305-R316 HydrophobicContact CG-CG 4.32Å; M307-R316 HydrophobicContact CE-CG 3.91Å; M307-R316 HydrophobicContact SD-CG 3.87Å; M307-R316 PolarHBondContact SD-NH2 2.87Å; E311-R316 IonicContact OE1-NH2 2.72Å; T314-R316 PolarHBondContact OG1-NH1 2.94Å
317	L	97.1	Very high	89.4	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.2	168.5	-175.1	156.1	0	0	0	108.7	H256 L257 I286 K326 Y327 F342 L343 F346	H256-L317 CarbonylContact O-C 3.56Å; H256-L317 WeakPolarHBondContact O-CA 3.3Å; L257-L317 HydrophobicContact CD1-CB 4.24Å; I286-L317 HydrophobicContact CD1-CD1 4.38Å; L317-K326 CarbonylContact O-C 3.5Å; L317-K326 WeakPolarHBondContact O-CA 3.48Å; L317-Y327 HydrophobicContact CD2-CD2 3.6Å; L317-Y327 HydrophobicContact CD2-CE2 4.22Å; L317-Y327 HydrophobicContact CD2-CG 4.35Å; L317-Y327 PolarHBondContact N-O 3.13Å; L317-Y327 PolarHBondContact O-N 3.19Å; L317-F342 HydrophobicContact CB-CE1 3.8Å; L317-F342 HydrophobicContact CB-CZ 3.94Å; L317-F342 HydrophobicContact CD1-CE1 4.43Å; L317-L343 HydrophobicContact CD1-CD2 3.78Å; L317-F346 HydrophobicContact CD1-CB 3.92Å; L317-F346 HydrophobicContact CD1-CD1 3.47Å; L317-F346 VanDerWaalsContact CD1-CD1 3.47Å; L317-F346 HydrophobicContact CD1-CD2 4.03Å; L317-F346 HydrophobicContact CD1-CE1 3.97Å; L317-F346 HydrophobicContact CD1-CE2 4.48Å; L317-F346 HydrophobicContact CD1-CG 3.5Å; L317-F346 VanDerWaalsContact CD1-CG 3.5Å; L317-F346 HydrophobicContact CD1-CZ 4.45Å; L317-F346 HydrophobicContact CD2-CD1 3.98Å; L317-F346 HydrophobicContact CD2-CD2 3.45Å; L317-F346 VanDerWaalsContact CD2-CD2 3.45Å; L317-F346 HydrophobicContact CD2-CE1 3.81Å; L317-F346 HydrophobicContact CD2-CE2 3.26Å; L317-F346 HydrophobicContact CD2-CG 3.81Å; L317-F346 HydrophobicContact CD2-CZ 3.45Å; L317-F346 VanDerWaalsContact CD2-CZ 3.45Å; L317-F346 HydrophobicContact CG-CD1 4.38Å; L317-F346 HydrophobicContact CG-CD2 4.4Å; L317-F346 HydrophobicContact CG-CE1 4.48Å; L317-F346 HydrophobicContact CG-CG 4.33Å
318	I	94.5	Very high	89.7	Confident	8 Å²	8	55.6 Å²	55.6	4%	0.041	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	140.4	175	-173.1	165.7	0	0	0	110.8	S255 H256 L258 F304 F305 L320 M324 A325	S255-I318 CarbonylContact C-O 3.58Å; S255-I318 WeakPolarHBondContact CA-O 3.44Å; H256-I318 HydrophobicContact CB-CG2 3.88Å; H256-I318 PolarHBondContact N-O 3.46Å; H256-I318 PolarHBondContact O-N 3.35Å; L258-I318 HydrophobicContact CD1-CG2 3.89Å; L258-I318 HydrophobicContact CD2-CG2 4.45Å; L258-I318 HydrophobicContact CG-CG2 4.12Å; F304-I318 HydrophobicContact CE1-CD1 3.86Å; F305-I318 HydrophobicContact CE1-CB 4.2Å; F305-I318 HydrophobicContact CE1-CD1 4.3Å; F305-I318 HydrophobicContact CZ-CB 4.02Å; F305-I318 HydrophobicContact CZ-CD1 3.76Å; F305-I318 HydrophobicContact CZ-CG1 4.45Å; F305-I318 HydrophobicContact CZ-CG2 4.28Å; I318-L320 HydrophobicContact CD1-CD2 3.95Å; I318-L320 HydrophobicContact CG1-CD2 4.05Å; I318-L320 HydrophobicContact CG2-CD2 4.2Å; I318-M324 HydrophobicContact CD1-CB 4.25Å; I318-A325 CarbonylContact C-O 3.43Å; I318-A325 VanDerWaalsContact CA-O 3.3Å; I318-A325 WeakPolarHBondContact CA-O 3.43Å
319	K	92.8	Very high	90.1	Very high	59 Å²	59	52.4 Å²	52.4	26%	0.257	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	109.2	169.5	-162.4	-174	-167	-155.7	0	109.5	K254 E321 M324 A325	K254-K319 CarbonylContact O-C 3.54Å; K254-K319 WeakPolarHBondContact O-CA 3.04Å; K319-E321 HydrophobicContact CD-CG 4.36Å; K319-E321 WeakPolarHBondContact CE-OE1 3.45Å; K319-E321 WeakPolarHBondContact CE-OE2 3.35Å; K319-E321 HydrophobicContact CG-CG 4.26Å; K319-E321 IonicContact NZ-OE1 3.86Å; K319-E321 PolarHBondContact NZ-OE1 3.16Å; K319-E321 IonicContact NZ-OE2 3.21Å; K319-E321 PolarHBondContact NZ-OE2 3.38Å; K319-E321 PolarHBondContact O-N 3.43Å; K319-M324 CarbonylContact O-C 3.52Å; K319-M324 WeakPolarHBondContact O-CA 3.46Å; K319-A325 HydrophobicContact CB-CB 4.25Å; K319-A325 PolarHBondContact N-O 2.77Å; K319-A325 PolarHBondContact O-N 2.72Å
320	L	85.9	Confident	90.2	Very high	29 Å²	29	54.9 Å²	54.9	15%	0.152	26%	0.263	C	S	.	.			trans	-76.9	44.9	-179.5	-56.9	-174.3	0	0	0	113.4	F249 K254 H256 I318	F249-L320 HydrophobicContact CD1-CD1 3.71Å; F249-L320 HydrophobicContact CD1-CD2 4.43Å; F249-L320 HydrophobicContact CE1-CD1 4.26Å; F249-L320 HydrophobicContact CE1-CD2 4.35Å; K254-L320 HydrophobicContact CB-CB 4.44Å; K254-L320 HydrophobicContact CD-CB 4.45Å; K254-L320 WeakPolarHBondContact O-CB 3.38Å; K254-L320 PolarHBondContact O-N 2.95Å; H256-L320 WeakPolarHBondContact CE1-CD1 3.21Å; H256-L320 WeakPolarHBondContact ND1-CD1 3.33Å; I318-L320 HydrophobicContact CD1-CD2 3.95Å; I318-L320 HydrophobicContact CG1-CD2 4.05Å; I318-L320 HydrophobicContact CG2-CD2 4.2Å
321	E	78.3	Confident	90.3	Very high	99 Å²	99	49 Å²	49	46%	0.463	24%	0.242	S	C	.	.	S	Bend	trans	-94.1	-171.3	165.2	-71.9	178.1	-176.9	0	0	109.5	K254 K319 D323 M324	K254-E321 HydrophobicContact CB-CG 4.49Å; K319-E321 HydrophobicContact CD-CG 4.36Å; K319-E321 WeakPolarHBondContact CE-OE1 3.45Å; K319-E321 WeakPolarHBondContact CE-OE2 3.35Å; K319-E321 HydrophobicContact CG-CG 4.26Å; K319-E321 IonicContact NZ-OE1 3.86Å; K319-E321 PolarHBondContact NZ-OE1 3.16Å; K319-E321 IonicContact NZ-OE2 3.21Å; K319-E321 PolarHBondContact NZ-OE2 3.38Å; K319-E321 PolarHBondContact O-N 3.43Å; E321-D323 PolarHBondContact O-N 2.92Å; E321-M324 PolarHBondContact O-N 3.14Å; E321-M324 VanDerWaalsContact O-N 3.12Å
322	E	66.3	Low	90.2	Very high	203 Å²	203	51.6 Å²	51.6	95%	0.949	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-25.6	-174.4	-66.8	-178.1	175.3	0	0	114.2
323	D	72.2	Confident	90.2	Very high	54 Å²	54	54.1 Å²	54.1	29%	0.289	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-3.3	-175.8	76.3	-19	0	0	0	115.6	E321 A325 Q353 K436	E321-D323 PolarHBondContact O-N 2.92Å; D323-A325 PolarHBondContact O-N 2.72Å; D323-A325 PolarHBondContact OD1-N 2.7Å; D323-Q353 PolarHBondContact OD2-NE2 2.67Å; D323-K436 HydrophobicContact CB-CD 4.18Å; D323-K436 HydrophobicContact CB-CG 4.35Å
324	M	84	Confident	90.1	Very high	101 Å²	101	53.3 Å²	53.3	50%	0.498	26%	0.264	S	S	.	.			trans	45.4	37.7	-175.8	-67.8	-167.9	-176.7	0	0	113.7	F304 I318 K319 E321 K326	F304-M324 HydrophobicContact CZ-CB 4.42Å; F304-M324 HydrophobicContact CZ-SD 3.94Å; I318-M324 HydrophobicContact CD1-CB 4.25Å; K319-M324 CarbonylContact O-C 3.52Å; K319-M324 WeakPolarHBondContact O-CA 3.46Å; E321-M324 PolarHBondContact O-N 3.14Å; E321-M324 VanDerWaalsContact O-N 3.12Å; M324-K326 WeakPolarHBondContact O-CG 3.3Å; M324-K326 PolarHBondContact O-N 3.04Å
325	A	89.5	Confident	90	Very high	4 Å²	4	55 Å²	55	3%	0.033	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.6	126.2	-171.5	0	0	0	0	0	113.3	I318 K319 D323 Y327 Q353	I318-A325 CarbonylContact C-O 3.43Å; I318-A325 VanDerWaalsContact CA-O 3.3Å; I318-A325 WeakPolarHBondContact CA-O 3.43Å; K319-A325 HydrophobicContact CB-CB 4.25Å; K319-A325 PolarHBondContact N-O 2.77Å; K319-A325 PolarHBondContact O-N 2.72Å; D323-A325 PolarHBondContact O-N 2.72Å; D323-A325 PolarHBondContact OD1-N 2.7Å; A325-Y327 HydrophobicContact CB-CE2 3.79Å; A325-Q353 HydrophobicContact CB-CG 4.14Å; A325-Q353 VanDerWaalsContact CB-NE2 3.27Å
326	K	93.3	Very high	89.9	Confident	9 Å²	9	57 Å²	57	4%	0.039	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	145.2	-179.1	-58.9	169.1	-172.8	163.4	0	110.7	F304 F305 L317 M324 Q353 H354 E431	F304-K326 WeakPolarHBondContact O-CE 2.91Å; F304-K326 PolarHBondContact O-NZ 2.92Å; F305-K326 HydrophobicContact CD1-CD 4.11Å; F305-K326 HydrophobicContact CD1-CG 4.23Å; F305-K326 HydrophobicContact CE1-CB 4.49Å; F305-K326 HydrophobicContact CE1-CD 4.22Å; F305-K326 HydrophobicContact CE1-CG 3.92Å; L317-K326 CarbonylContact O-C 3.5Å; L317-K326 WeakPolarHBondContact O-CA 3.48Å; M324-K326 WeakPolarHBondContact O-CG 3.3Å; M324-K326 PolarHBondContact O-N 3.04Å; K326-Q353 CarbonylContact O-C 3.34Å; K326-Q353 WeakPolarHBondContact O-CA 3.48Å; K326-H354 PolarHBondContact O-N 2.91Å; K326-E431 WeakPolarHBondContact CE-OE1 3.41Å; K326-E431 IonicContact NZ-OE1 2.83Å; K326-E431 PolarHBondContact NZ-OE1 2.9Å; K326-E431 IonicContact NZ-OE2 2.75Å
327	Y	95.5	Very high	89.8	Confident	28 Å²	28	64.4 Å²	64.4	11%	0.11	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	133	177.4	-58.3	-93.3	0	0	0	109.9	L317 A325 F346 L351 K352 Q353	L317-Y327 HydrophobicContact CD2-CD2 3.6Å; L317-Y327 HydrophobicContact CD2-CE2 4.22Å; L317-Y327 HydrophobicContact CD2-CG 4.35Å; L317-Y327 PolarHBondContact N-O 3.13Å; L317-Y327 PolarHBondContact O-N 3.19Å; A325-Y327 HydrophobicContact CB-CE2 3.79Å; Y327-F346 HydrophobicContact CD2-CD2 4.09Å; Y327-F346 AromaticContact CD2-CE2 3.97Å; Y327-F346 HydrophobicContact CD2-CE2 3.97Å; Y327-F346 HydrophobicContact CE1-CD2 4.49Å; Y327-F346 HydrophobicContact CE2-CD2 4.02Å; Y327-F346 AromaticContact CE2-CE2 3.58Å; Y327-F346 HydrophobicContact CE2-CE2 3.58Å; Y327-F346 HydrophobicContact CG-CD2 4.38Å; Y327-F346 AromaticContact CZ-CE2 3.97Å; Y327-L351 HydrophobicContact CD1-CB 3.59Å; Y327-L351 HydrophobicContact CD1-CD1 4.21Å; Y327-L351 HydrophobicContact CE1-CB 3.96Å; Y327-L351 HydrophobicContact CG-CD1 4.45Å; Y327-K352 WeakPolarHBondContact CD1-O 3.38Å; Y327-Q353 HydrophobicContact CE1-CG 4.05Å
328	K	94.8	Very high	89.8	Confident	76 Å²	76	66.2 Å²	66.2	33%	0.33	34%	0.339	S	S	.	.			trans	-109.4	135.4	176.7	-177.3	174.5	-179.9	170	0	109	H354	K328-H354 HydrophobicContact CB-CB 3.9Å
329	P	93.7	Very high	89.9	Confident	11 Å²	11	65.9 Å²	65.9	7%	0.071	34%	0.338	C	S	.	.			trans	-63.6	152.8	172.8	31	-39.7	0	0	0	111.3	I315 S331 F342	I315-P329 HydrophobicContact CD1-CB 4.4Å; I315-P329 HydrophobicContact CD1-CG 4.16Å; I315-P329 HydrophobicContact CG1-CB 4.48Å; I315-P329 HydrophobicContact CG1-CG 3.73Å; I315-P329 WeakPolarHBondContact O-CD 3.45Å; P329-S331 WeakPolarHBondContact CB-O 3.41Å; P329-S331 WeakPolarHBondContact CG-O 3.49Å; P329-S331 PolarHBondContact O-N 3.22Å; P329-F342 HydrophobicContact CB-CD2 4.06Å; P329-F342 HydrophobicContact CB-CE2 4.13Å; P329-F342 HydrophobicContact CB-CG 4.3Å; P329-F342 HydrophobicContact CB-CZ 4.44Å
330	E	89.8	Confident	90	Very high	164 Å²	164	66.2 Å²	66.2	77%	0.766	34%	0.34	S	S	*	.	S	Bend	trans	-72.6	-16.4	175.8	-67.2	166.9	-175.7	0	0	112.7	K345	E330-K345 IonicContact OE1-NZ 2.65Å; E330-K345 PolarHBondContact OE1-NZ 2.81Å; E330-K345 IonicContact OE2-NZ 3.52Å; E330-K345 PolarHBondContact OE2-NZ 3.06Å
331	S	90.7	Very high	90.6	Very high	55 Å²	55	67.2 Å²	67.2	39%	0.385	35%	0.353	S	S	.	.	S	Bend	trans	-131.5	146.1	-176.1	178.9	0	0	0	0	109.7	P329 D333	P329-S331 WeakPolarHBondContact CB-O 3.41Å; P329-S331 WeakPolarHBondContact CG-O 3.49Å; P329-S331 PolarHBondContact O-N 3.22Å; S331-D333 WeakPolarHBondContact OG-CB 3.17Å; S331-D333 PolarHBondContact OG-N 2.85Å; S331-D333 VanDerWaalsContact OG-N 3.14Å
332	D	91.9	Very high	91.5	Very high	117 Å²	117	63 Å²	63	63%	0.626	33%	0.333	S	S	*	.			trans	-84.7	3.4	171.9	-59.6	-44.1	0	0	0	112.6	L334	D332-L334 PolarHBondContact O-N 3.36Å
333	D	94.9	Very high	93	Very high	76 Å²	76	53.4 Å²	53.4	41%	0.406	29%	0.288	S	S	.	.			trans	-69.5	121.4	173.5	177.7	30.2	0	0	0	111.5	S331 S335 T338	S331-D333 WeakPolarHBondContact OG-CB 3.17Å; S331-D333 PolarHBondContact OG-N 2.85Å; S331-D333 VanDerWaalsContact OG-N 3.14Å; D333-S335 WeakPolarHBondContact OD1-CB 3.42Å; D333-S335 PolarHBondContact OD1-N 2.77Å; D333-S335 WeakPolarHBondContact OD2-CB 3.44Å; D333-S335 PolarHBondContact OD2-OG 2.85Å; D333-T338 HydrophobicContact CB-CG2 4.28Å; D333-T338 VanDerWaalsContact O-CG2 3.23Å; D333-T338 WeakPolarHBondContact O-CG2 3.39Å; D333-T338 PolarHBondContact OD2-OG1 3.16Å
334	L	95.9	Very high	94.1	Very high	15 Å²	15	56.6 Å²	56.6	8%	0.079	30%	0.299	C	S	.	.			trans	-97.3	20.1	179.6	-58.3	-177.6	0	0	0	112.9	Y271 P313 I315 D332 I339	Y271-L334 HydrophobicContact CD1-CB 3.93Å; Y271-L334 HydrophobicContact CD1-CD1 4.16Å; Y271-L334 HydrophobicContact CG-CB 4.49Å; Y271-L334 HydrophobicContact CG-CD1 4.11Å; P313-L334 HydrophobicContact CB-CD1 3.74Å; P313-L334 HydrophobicContact CG-CD1 3.86Å; I315-L334 HydrophobicContact CD1-CD2 4.4Å; I315-L334 HydrophobicContact CG1-CD2 4.09Å; I315-L334 HydrophobicContact CG2-CD2 3.85Å; D332-L334 PolarHBondContact O-N 3.36Å; L334-I339 HydrophobicContact CB-CD1 4.45Å; L334-I339 WeakPolarHBondContact O-CD1 3.3Å
335	S	94.9	Very high	94.8	Very high	41 Å²	41	55.3 Å²	55.3	29%	0.287	29%	0.291	S	S	.	.			trans	-63.7	149.9	172.6	71.4	0	0	0	0	112.1	D333 E337 T338 I339	D333-S335 WeakPolarHBondContact OD1-CB 3.42Å; D333-S335 PolarHBondContact OD1-N 2.77Å; D333-S335 WeakPolarHBondContact OD2-CB 3.44Å; D333-S335 PolarHBondContact OD2-OG 2.85Å; S335-E337 VanDerWaalsContact C-N 3.25Å; S335-E337 PolarHBondContact O-N 3.04Å; S335-T338 PolarHBondContact O-N 3.06Å; S335-T338 VanDerWaalsContact O-N 3.15Å; S335-T338 WeakPolarHBondContact OG-CB 3.49Å; S335-T338 PolarHBondContact OG-N 3.49Å; S335-T338 PolarHBondContact OG-OG1 3.18Å; S335-T338 VanDerWaalsContact OG-OG1 3.08Å; S335-I339 WeakPolarHBondContact O-CG1 3.38Å; S335-I339 PolarHBondContact O-N 3.17Å
336	A	94.8	Very high	95.1	Very high	44 Å²	44	56 Å²	56	36%	0.364	29%	0.293	S	S	.	.	H	α-helix	trans	-53	-41	177.9	0	0	0	0	0	113.1	L275 I278 E340	L275-A336 HydrophobicContact CD2-CB 3.9Å; I278-A336 HydrophobicContact CD1-CB 3.63Å; I278-A336 WeakPolarHBondContact CD1-O 3.34Å; A336-E340 VanDerWaalsContact O-CB 3.32Å; A336-E340 WeakPolarHBondContact O-CB 3.49Å; A336-E340 PolarHBondContact O-N 3.23Å
337	E	95.3	Very high	95.3	Very high	160 Å²	160	59.1 Å²	59.1	75%	0.748	31%	0.31	S	S	*	.	H	α-helix	trans	-64.3	-46.1	178	-176.9	178.5	176.5	0	0	111.8	S335 E340 A341	S335-E337 VanDerWaalsContact C-N 3.25Å; S335-E337 PolarHBondContact O-N 3.04Å; E337-E340 PolarHBondContact O-N 3.29Å; E337-A341 WeakPolarHBondContact O-CB 3.5Å; E337-A341 PolarHBondContact O-N 2.94Å
338	T	96.2	Very high	95.3	Very high	38 Å²	38	61.5 Å²	61.5	23%	0.233	32%	0.324	C	S	.	.	H	α-helix	trans	-65.4	-42.9	-179.4	-65	0	0	0	0	111.1	D333 S335 A341 F342	D333-T338 HydrophobicContact CB-CG2 4.28Å; D333-T338 VanDerWaalsContact O-CG2 3.23Å; D333-T338 WeakPolarHBondContact O-CG2 3.39Å; D333-T338 PolarHBondContact OD2-OG1 3.16Å; S335-T338 PolarHBondContact O-N 3.06Å; S335-T338 VanDerWaalsContact O-N 3.15Å; S335-T338 WeakPolarHBondContact OG-CB 3.49Å; S335-T338 PolarHBondContact OG-N 3.49Å; S335-T338 PolarHBondContact OG-OG1 3.18Å; S335-T338 VanDerWaalsContact OG-OG1 3.08Å; T338-A341 PolarHBondContact O-N 2.97Å; T338-F342 WeakPolarHBondContact O-CB 3.3Å; T338-F342 PolarHBondContact O-N 2.77Å
339	I	97	Very high	95.3	Very high	1 Å²	1	61 Å²	61	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-65.2	-45.9	177.3	-67.2	176	0	0	0	110.5	L257 F259 L275 I315 L334 S335 A341 F342 L343	L257-I339 HydrophobicContact CD2-CG2 3.82Å; F259-I339 HydrophobicContact CE1-CD1 3.86Å; F259-I339 HydrophobicContact CZ-CD1 4.18Å; L275-I339 HydrophobicContact CD1-CD1 3.36Å; L275-I339 HydrophobicContact CD2-CD1 4Å; L275-I339 HydrophobicContact CG-CD1 4.33Å; I315-I339 HydrophobicContact CD1-CG1 4.04Å; L334-I339 HydrophobicContact CB-CD1 4.45Å; L334-I339 WeakPolarHBondContact O-CD1 3.3Å; S335-I339 WeakPolarHBondContact O-CG1 3.38Å; S335-I339 PolarHBondContact O-N 3.17Å; I339-A341 VanDerWaalsContact C-N 3.33Å; I339-A341 PolarHBondContact O-N 2.78Å; I339-F342 WeakPolarHBondContact O-CB 3.32Å; I339-F342 PolarHBondContact O-N 2.92Å; I339-L343 HydrophobicContact CG2-CD1 4.15Å; I339-L343 HydrophobicContact CG2-CG 4.34Å; I339-L343 VanDerWaalsContact O-CG 3.31Å; I339-L343 WeakPolarHBondContact O-CG 3.31Å; I339-L343 PolarHBondContact O-N 3.2Å
340	E	96	Very high	95.4	Very high	65 Å²	65	67.3 Å²	67.3	30%	0.304	37%	0.367	S	S	.	.	H	α-helix	trans	-62.1	-40.7	178	-171.9	171.4	-141.8	0	0	112	I278 K281 Y282 A336 E337 F342 L343 K344	I278-E340 HydrophobicContact CD1-CB 4.32Å; K281-E340 IonicContact NZ-OE1 3Å; K281-E340 PolarHBondContact NZ-OE1 3.4Å; Y282-E340 HydrophobicContact CE2-CG 4.26Å; A336-E340 VanDerWaalsContact O-CB 3.32Å; A336-E340 WeakPolarHBondContact O-CB 3.49Å; A336-E340 PolarHBondContact O-N 3.23Å; E337-E340 PolarHBondContact O-N 3.29Å; E340-F342 PolarHBondContact O-N 3.21Å; E340-L343 PolarHBondContact O-N 3.44Å; E340-K344 WeakPolarHBondContact O-CB 3.33Å; E340-K344 PolarHBondContact O-N 2.86Å
341	A	96.6	Very high	95.6	Very high	51 Å²	51	60.7 Å²	60.7	42%	0.421	34%	0.337	S	S	.	.	H	α-helix	trans	-62.6	-41.1	174.4	0	0	0	0	0	112.3	E337 T338 I339 K344 K345	E337-A341 WeakPolarHBondContact O-CB 3.5Å; E337-A341 PolarHBondContact O-N 2.94Å; T338-A341 PolarHBondContact O-N 2.97Å; I339-A341 VanDerWaalsContact C-N 3.33Å; I339-A341 PolarHBondContact O-N 2.78Å; A341-K344 PolarHBondContact O-N 2.77Å; A341-K345 WeakPolarHBondContact O-CG 3.48Å; A341-K345 PolarHBondContact O-N 2.96Å
342	F	97.6	Very high	95.5	Very high	11 Å²	11	67.2 Å²	67.2	5%	0.048	36%	0.359	C	S	.	.	H	α-helix	trans	-62.2	-48.7	175.5	176	-119.5	0	0	0	111.8	L257 I315 L317 P329 T338 I339 E340 K344 K345 F346 L351	L257-F342 HydrophobicContact CD1-CD1 4.27Å; L257-F342 HydrophobicContact CD1-CE1 3.93Å; I315-F342 HydrophobicContact CD1-CD1 4.03Å; I315-F342 HydrophobicContact CD1-CE1 4.26Å; L317-F342 HydrophobicContact CB-CE1 3.8Å; L317-F342 HydrophobicContact CB-CZ 3.94Å; L317-F342 HydrophobicContact CD1-CE1 4.43Å; P329-F342 HydrophobicContact CB-CD2 4.06Å; P329-F342 HydrophobicContact CB-CE2 4.13Å; P329-F342 HydrophobicContact CB-CG 4.3Å; P329-F342 HydrophobicContact CB-CZ 4.44Å; T338-F342 WeakPolarHBondContact O-CB 3.3Å; T338-F342 PolarHBondContact O-N 2.77Å; I339-F342 WeakPolarHBondContact O-CB 3.32Å; I339-F342 PolarHBondContact O-N 2.92Å; E340-F342 PolarHBondContact O-N 3.21Å; F342-K344 VanDerWaalsContact C-N 3.34Å; F342-K344 PolarHBondContact O-N 3.09Å; F342-K345 PolarHBondContact O-N 2.7Å; F342-F346 PolarHBondContact O-N 2.95Å; F342-L351 HydrophobicContact CD2-CD1 3.66Å; F342-L351 HydrophobicContact CD2-CD2 4.21Å; F342-L351 HydrophobicContact CE2-CD1 3.3Å; F342-L351 HydrophobicContact CE2-CD2 4.28Å; F342-L351 HydrophobicContact CE2-CG 4.44Å; F342-L351 HydrophobicContact CZ-CD1 4.01Å
343	L	97.6	Very high	95.5	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-62.1	-40.2	177.3	-65.6	-177.8	0	0	0	112.3	L257 I278 Y282 I286 F288 L317 I339 E340 F346 L347	L257-L343 HydrophobicContact CB-CD2 4.35Å; L257-L343 HydrophobicContact CD1-CD2 4.17Å; L257-L343 HydrophobicContact CD2-CD1 4.27Å; L257-L343 HydrophobicContact CD2-CD2 4.01Å; L257-L343 HydrophobicContact CD2-CG 4.46Å; L257-L343 HydrophobicContact CG-CD2 4.41Å; I278-L343 HydrophobicContact CG2-CD1 4.21Å; Y282-L343 HydrophobicContact CD2-CD1 3.89Å; Y282-L343 HydrophobicContact CE1-CB 4.43Å; Y282-L343 HydrophobicContact CE2-CB 4.47Å; Y282-L343 HydrophobicContact CE2-CD1 4.08Å; Y282-L343 HydrophobicContact CG-CD1 4.29Å; I286-L343 HydrophobicContact CD1-CB 4.26Å; I286-L343 HydrophobicContact CD1-CD2 3.67Å; I286-L343 HydrophobicContact CD1-CG 4.35Å; I286-L343 HydrophobicContact CG2-CD2 4.45Å; F288-L343 HydrophobicContact CE1-CD1 4.43Å; F288-L343 HydrophobicContact CE2-CD1 3.99Å; F288-L343 HydrophobicContact CZ-CD1 3.44Å; F288-L343 VanDerWaalsContact CZ-CD1 3.44Å; L317-L343 HydrophobicContact CD1-CD2 3.78Å; I339-L343 HydrophobicContact CG2-CD1 4.15Å; I339-L343 HydrophobicContact CG2-CG 4.34Å; I339-L343 VanDerWaalsContact O-CG 3.31Å; I339-L343 WeakPolarHBondContact O-CG 3.31Å; I339-L343 PolarHBondContact O-N 3.2Å; E340-L343 PolarHBondContact O-N 3.44Å; L343-F346 WeakPolarHBondContact O-CB 3.48Å; L343-F346 PolarHBondContact O-N 3.08Å; L343-L347 WeakPolarHBondContact O-CG 3.5Å; L343-L347 PolarHBondContact O-N 3.37Å
344	K	97	Very high	95.3	Very high	122 Å²	122	63.7 Å²	63.7	53%	0.53	34%	0.336	S	S	.	.	H	α-helix	trans	-62.9	-45.6	174.9	-171	-171	-179.3	81.8	0	111.6	E340 A341 F342 F346 L347 D348	E340-K344 WeakPolarHBondContact O-CB 3.33Å; E340-K344 PolarHBondContact O-N 2.86Å; A341-K344 PolarHBondContact O-N 2.77Å; F342-K344 VanDerWaalsContact C-N 3.34Å; F342-K344 PolarHBondContact O-N 3.09Å; K344-F346 VanDerWaalsContact C-N 3.26Å; K344-F346 PolarHBondContact O-N 3.17Å; K344-L347 PolarHBondContact O-N 2.93Å; K344-D348 VanDerWaalsContact O-CB 3.26Å; K344-D348 WeakPolarHBondContact O-CB 3.27Å; K344-D348 VanDerWaalsContact O-CG 3.23Å; K344-D348 PolarHBondContact O-N 3.24Å
345	K	97.4	Very high	95.1	Very high	73 Å²	73	65.6 Å²	65.6	32%	0.317	35%	0.346	S	S	.	.	H	α-helix	trans	-59.9	-38.8	175.7	-75.4	-178.9	176.5	-177	0	111.4	E330 A341 F342 G349 K350 L351	E330-K345 IonicContact OE1-NZ 2.65Å; E330-K345 PolarHBondContact OE1-NZ 2.81Å; E330-K345 IonicContact OE2-NZ 3.52Å; E330-K345 PolarHBondContact OE2-NZ 3.06Å; A341-K345 WeakPolarHBondContact O-CG 3.48Å; A341-K345 PolarHBondContact O-N 2.96Å; F342-K345 PolarHBondContact O-N 2.7Å; K345-G349 PolarHBondContact O-N 2.93Å; K345-K350 HydrophobicContact CB-CB 4.42Å; K345-K350 WeakPolarHBondContact O-CB 3.5Å; K345-K350 PolarHBondContact O-N 2.81Å; K345-L351 HydrophobicContact CB-CD2 3.6Å; K345-L351 HydrophobicContact CB-CG 3.78Å; K345-L351 HydrophobicContact CD-CD2 3.87Å; K345-L351 HydrophobicContact CG-CD2 4.4Å
346	F	96.7	Very high	94.9	Very high	18 Å²	18	64.3 Å²	64.3	8%	0.079	34%	0.336	C	S	.	.	H	α-helix	trans	-61.9	-55.1	176.2	171.8	-109.6	0	0	0	111.6	S255 I286 L317 Y327 F342 L343 K344 D348 G349 L351	S255-F346 WeakPolarHBondContact OG-CE1 3.49Å; S255-F346 WeakPolarHBondContact OG-CZ 3.31Å; I286-F346 HydrophobicContact CD1-CD1 4Å; I286-F346 HydrophobicContact CD1-CE1 4.38Å; L317-F346 HydrophobicContact CD1-CB 3.92Å; L317-F346 HydrophobicContact CD1-CD1 3.47Å; L317-F346 VanDerWaalsContact CD1-CD1 3.47Å; L317-F346 HydrophobicContact CD1-CD2 4.03Å; L317-F346 HydrophobicContact CD1-CE1 3.97Å; L317-F346 HydrophobicContact CD1-CE2 4.48Å; L317-F346 HydrophobicContact CD1-CG 3.5Å; L317-F346 VanDerWaalsContact CD1-CG 3.5Å; L317-F346 HydrophobicContact CD1-CZ 4.45Å; L317-F346 HydrophobicContact CD2-CD1 3.98Å; L317-F346 HydrophobicContact CD2-CD2 3.45Å; L317-F346 VanDerWaalsContact CD2-CD2 3.45Å; L317-F346 HydrophobicContact CD2-CE1 3.81Å; L317-F346 HydrophobicContact CD2-CE2 3.26Å; L317-F346 HydrophobicContact CD2-CG 3.81Å; L317-F346 HydrophobicContact CD2-CZ 3.45Å; L317-F346 VanDerWaalsContact CD2-CZ 3.45Å; L317-F346 HydrophobicContact CG-CD1 4.38Å; L317-F346 HydrophobicContact CG-CD2 4.4Å; L317-F346 HydrophobicContact CG-CE1 4.48Å; L317-F346 HydrophobicContact CG-CG 4.33Å; Y327-F346 HydrophobicContact CD2-CD2 4.09Å; Y327-F346 AromaticContact CD2-CE2 3.97Å; Y327-F346 HydrophobicContact CD2-CE2 3.97Å; Y327-F346 HydrophobicContact CE1-CD2 4.49Å; Y327-F346 HydrophobicContact CE2-CD2 4.02Å; Y327-F346 AromaticContact CE2-CE2 3.58Å; Y327-F346 HydrophobicContact CE2-CE2 3.58Å; Y327-F346 HydrophobicContact CG-CD2 4.38Å; Y327-F346 AromaticContact CZ-CE2 3.97Å; F342-F346 PolarHBondContact O-N 2.95Å; L343-F346 WeakPolarHBondContact O-CB 3.48Å; L343-F346 PolarHBondContact O-N 3.08Å; K344-F346 VanDerWaalsContact C-N 3.26Å; K344-F346 PolarHBondContact O-N 3.17Å; F346-D348 VanDerWaalsContact C-N 3.26Å; F346-D348 PolarHBondContact O-N 2.91Å; F346-G349 WeakPolarHBondContact O-CA 3.47Å; F346-G349 PolarHBondContact O-N 2.94Å; F346-L351 HydrophobicContact CB-CD1 3.64Å; F346-L351 HydrophobicContact CB-CG 4.4Å; F346-L351 HydrophobicContact CD2-CD1 4.48Å
347	L	95.8	Very high	94.7	Very high	76 Å²	76	65.5 Å²	65.5	40%	0.398	34%	0.341	S	S	.	.	H	α-helix	trans	-64.7	-30.5	-178.3	-66.9	171.3	0	0	0	112.8	Y282 D285 I286 L343 K344 G349	Y282-L347 HydrophobicContact CD1-CD1 3.67Å; Y282-L347 HydrophobicContact CE1-CD1 3.44Å; Y282-L347 VanDerWaalsContact CE1-CD1 3.44Å; D285-L347 HydrophobicContact CB-CD2 4.31Å; I286-L347 HydrophobicContact CD1-CD1 4.14Å; I286-L347 HydrophobicContact CD1-CD2 4.09Å; I286-L347 HydrophobicContact CD1-CG 4.09Å; I286-L347 HydrophobicContact CG1-CD2 4.29Å; L343-L347 WeakPolarHBondContact O-CG 3.5Å; L343-L347 PolarHBondContact O-N 3.37Å; K344-L347 PolarHBondContact O-N 2.93Å; L347-G349 PolarHBondContact O-N 3.01Å
348	D	96.4	Very high	94.5	Very high	77 Å²	77	60.9 Å²	60.9	41%	0.412	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-3	172.8	-74.9	-1.7	0	0	0	113.1	K344 F346 K350	K344-D348 VanDerWaalsContact O-CB 3.26Å; K344-D348 WeakPolarHBondContact O-CB 3.27Å; K344-D348 VanDerWaalsContact O-CG 3.23Å; K344-D348 PolarHBondContact O-N 3.24Å; F346-D348 VanDerWaalsContact C-N 3.26Å; F346-D348 PolarHBondContact O-N 2.91Å; D348-K350 VanDerWaalsContact C-N 3.29Å; D348-K350 HydrophobicContact CB-CD 3.76Å; D348-K350 HydrophobicContact CB-CG 3.93Å; D348-K350 PolarHBondContact O-N 3.41Å; D348-K350 IonicContact OD2-NZ 3.75Å; D348-K350 PolarHBondContact OD2-NZ 2.91Å
349	G	94.2	Very high	94.4	Very high	67 Å²	67	67.7 Å²	67.7	69%	0.691	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	22.9	-176.8	0	0	0	0	0	114.3	K345 F346 L347	K345-G349 PolarHBondContact O-N 2.93Å; F346-G349 WeakPolarHBondContact O-CA 3.47Å; F346-G349 PolarHBondContact O-N 2.94Å; L347-G349 PolarHBondContact O-N 3.01Å
350	K	96	Very high	94.4	Very high	142 Å²	142	70.9 Å²	70.9	62%	0.617	37%	0.366	S	S	*	.			trans	-96	-9.6	-173.9	-68.2	172	-176.6	156.1	0	114.1	K345 D348	K345-K350 HydrophobicContact CB-CB 4.42Å; K345-K350 WeakPolarHBondContact O-CB 3.5Å; K345-K350 PolarHBondContact O-N 2.81Å; D348-K350 VanDerWaalsContact C-N 3.29Å; D348-K350 HydrophobicContact CB-CD 3.76Å; D348-K350 HydrophobicContact CB-CG 3.93Å; D348-K350 PolarHBondContact O-N 3.41Å; D348-K350 IonicContact OD2-NZ 3.75Å; D348-K350 PolarHBondContact OD2-NZ 2.91Å
351	L	93.5	Very high	94.3	Very high	25 Å²	25	69.8 Å²	69.8	13%	0.131	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-84.1	139.5	175.6	-64.2	-178.6	0	0	0	111	Y327 F342 K345 F346	Y327-L351 HydrophobicContact CD1-CB 3.59Å; Y327-L351 HydrophobicContact CD1-CD1 4.21Å; Y327-L351 HydrophobicContact CE1-CB 3.96Å; Y327-L351 HydrophobicContact CG-CD1 4.45Å; F342-L351 HydrophobicContact CD2-CD1 3.66Å; F342-L351 HydrophobicContact CD2-CD2 4.21Å; F342-L351 HydrophobicContact CE2-CD1 3.3Å; F342-L351 HydrophobicContact CE2-CD2 4.28Å; F342-L351 HydrophobicContact CE2-CG 4.44Å; F342-L351 HydrophobicContact CZ-CD1 4.01Å; K345-L351 HydrophobicContact CB-CD2 3.6Å; K345-L351 HydrophobicContact CB-CG 3.78Å; K345-L351 HydrophobicContact CD-CD2 3.87Å; K345-L351 HydrophobicContact CG-CD2 4.4Å; F346-L351 HydrophobicContact CB-CD1 3.64Å; F346-L351 HydrophobicContact CB-CG 4.4Å; F346-L351 HydrophobicContact CD2-CD1 4.48Å
352	K	90.6	Very high	94.3	Very high	193 Å²	193	76.9 Å²	76.9	84%	0.839	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-81.3	144.2	165.8	-66.8	-172.3	175.8	-170.9	0	109.6	Y327 H354	Y327-K352 WeakPolarHBondContact CD1-O 3.38Å; K352-H354 PolarHBondContact O-N 2.78Å
353	Q	91.4	Very high	94.2	Very high	61 Å²	61	80.4 Å²	80.4	29%	0.285	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-57.9	136.7	170.7	-65.9	-171.9	-4.1	0	0	109.2	D323 A325 K326 Y327 L355 K436	D323-Q353 PolarHBondContact OD2-NE2 2.67Å; A325-Q353 HydrophobicContact CB-CG 4.14Å; A325-Q353 VanDerWaalsContact CB-NE2 3.27Å; K326-Q353 CarbonylContact O-C 3.34Å; K326-Q353 WeakPolarHBondContact O-CA 3.48Å; Y327-Q353 HydrophobicContact CE1-CG 4.05Å; Q353-L355 HydrophobicContact CB-CD2 4.45Å; Q353-K436 VanDerWaalsContact OE1-NZ 3.1Å
354	H	91.2	Very high	94.2	Very high	58 Å²	58	83.3 Å²	83.3	27%	0.269	42%	0.419	S	S	.	.			trans	-86.9	112.9	168.3	178.9	58.4	0	0	0	107.8	K326 K328 K352	K326-H354 PolarHBondContact O-N 2.91Å; K328-H354 HydrophobicContact CB-CB 3.9Å; K352-H354 PolarHBondContact O-N 2.78Å
355	L	90.9	Very high	94.1	Very high	55 Å²	55	81.3 Å²	81.3	29%	0.288	41%	0.414	S	S	.	.			trans	-101	130.9	176.7	-58.9	175.6	0	0	0	108.9	Q353 E431 E433	Q353-L355 HydrophobicContact CB-CD2 4.45Å; L355-E431 HydrophobicContact CB-CB 4.06Å; L355-E431 HydrophobicContact CD2-CB 3.92Å; L355-E433 HydrophobicContact CD1-CB 3.96Å
356	L	90.5	Very high	94.1	Very high	14 Å²	14	85.3 Å²	85.3	7%	0.073	43%	0.431	C	S	.	.			trans	-64.2	144.1	172	-61.8	-178.4	0	0	0	110.9	S374 T428 A429 N430 E431	L356-S374 PolarHBondContact O-OG 3.4Å; L356-T428 WeakPolarHBondContact CD1-O 3.43Å; L356-A429 CarbonylContact C-O 3.57Å; L356-N430 WeakPolarHBondContact O-CA 3.48Å; L356-E431 HydrophobicContact CB-CG 4.21Å; L356-E431 WeakPolarHBondContact CG-OE2 3.47Å; L356-E431 PolarHBondContact N-OE2 2.76Å; L356-E431 PolarHBondContact O-N 2.76Å
357	S	90.9	Very high	94	Very high	68 Å²	68	88.8 Å²	88.8	48%	0.476	45%	0.451	S	S	.	.			trans	-151.4	124.5	171.4	-176.7	0	0	0	0	108.7	S374 A429	S357-S374 WeakPolarHBondContact OG-CB 3.47Å; S357-A429 CarbonylContact C-O 3.57Å; S357-A429 PolarHBondContact N-O 2.92Å
358	Q	91.2	Very high	94.1	Very high	64 Å²	64	87.3 Å²	87.3	30%	0.299	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-81.4	165.2	166.7	74.5	-166.8	-15	0	0	110.8	V373 A429 N430	Q358-V373 HydrophobicContact CG-CB 3.91Å; Q358-V373 HydrophobicContact CG-CG1 3.48Å; Q358-V373 VanDerWaalsContact CG-CG1 3.48Å; Q358-A429 HydrophobicContact CB-CB 4.43Å; Q358-A429 PolarHBondContact N-O 2.84Å; Q358-N430 VanDerWaalsContact CD-ND2 3.33Å; Q358-N430 WeakPolarHBondContact CG-OD1 3.24Å; Q358-N430 PolarHBondContact N-OD1 2.86Å; Q358-N430 VanDerWaalsContact N-OD1 3.09Å; Q358-N430 PolarHBondContact NE2-ND2 2.89Å
359	E	94	Very high	94.2	Very high	181 Å²	181	83.8 Å²	83.8	85%	0.846	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-65.6	141.9	168.8	-67.6	-172.1	166.5	0	0	110.1	P361	E359-P361 VanDerWaalsContact O-CD 3.24Å; E359-P361 WeakPolarHBondContact O-CD 3.41Å
360	L	96	Very high	94.4	Very high	68 Å²	68	83.1 Å²	83.1	36%	0.356	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-67.2	119.5	175.9	-180	64.5	0	0	0	109.4	W364 V373 N376	L360-W364 HydrophobicContact CD1-CB 3.7Å; L360-W364 HydrophobicContact CD1-CD2 4.22Å; L360-W364 HydrophobicContact CD1-CG 3.66Å; L360-W364 HydrophobicContact CD2-CG 4.38Å; L360-W364 HydrophobicContact CG-CB 4.36Å; L360-W364 HydrophobicContact CG-CG 4.11Å; L360-V373 HydrophobicContact CB-CG2 3.94Å; L360-V373 HydrophobicContact CD1-CG1 4.24Å; L360-V373 HydrophobicContact CD1-CG2 3.85Å; L360-N376 HydrophobicContact CD1-CB 4.07Å; L360-N376 VanDerWaalsContact CD1-CG 3.49Å; L360-N376 VanDerWaalsContact CD1-ND2 3.28Å; L360-N376 WeakPolarHBondContact CD1-ND2 3.49Å; L360-N376 HydrophobicContact CD2-CB 4.2Å
361	P	95	Very high	94.5	Very high	42 Å²	42	77.8 Å²	77.8	27%	0.273	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-60.8	142.1	176.1	-23.6	35.2	0	0	0	111.4	E359 D363 W364 V371	E359-P361 VanDerWaalsContact O-CD 3.24Å; E359-P361 WeakPolarHBondContact O-CD 3.41Å; P361-D363 PolarHBondContact O-N 2.62Å; P361-W364 WeakPolarHBondContact O-CB 3.26Å; P361-W364 VanDerWaalsContact O-CD1 3.28Å; P361-W364 PolarHBondContact O-N 3.41Å; P361-V371 HydrophobicContact CG-CG1 4.39Å
362	E	95.9	Very high	94.7	Very high	199 Å²	199	76.6 Å²	76.6	93%	0.93	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-27.1	178.5	-66.8	-171.6	162	0	0	112.8
363	D	95.6	Very high	95	Very high	85 Å²	85	67.4 Å²	67.4	46%	0.455	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	20.7	-178.8	69	-23.5	0	0	0	113.5	P361 D365 K366	P361-D363 PolarHBondContact O-N 2.62Å; D363-D365 PolarHBondContact O-N 3.36Å; D363-K366 HydrophobicContact CB-CB 3.93Å; D363-K366 HydrophobicContact CB-CD 3.99Å; D363-K366 VanDerWaalsContact O-CB 3.3Å; D363-K366 WeakPolarHBondContact O-CB 3.48Å; D363-K366 PolarHBondContact O-N 2.91Å
364	W	97.2	Very high	95.2	Very high	62 Å²	62	65.9 Å²	65.9	24%	0.235	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-29.9	-176.5	74.4	-85.6	0	0	0	113.9	L360 P361 K370 V371 N376 V380	L360-W364 HydrophobicContact CD1-CB 3.7Å; L360-W364 HydrophobicContact CD1-CD2 4.22Å; L360-W364 HydrophobicContact CD1-CG 3.66Å; L360-W364 HydrophobicContact CD2-CG 4.38Å; L360-W364 HydrophobicContact CG-CB 4.36Å; L360-W364 HydrophobicContact CG-CG 4.11Å; P361-W364 WeakPolarHBondContact O-CB 3.26Å; P361-W364 VanDerWaalsContact O-CD1 3.28Å; P361-W364 PolarHBondContact O-N 3.41Å; W364-K370 HydrophobicContact CE3-CB 4.41Å; W364-K370 HydrophobicContact CZ3-CB 4.34Å; W364-K370 CarbonylContact O-C 3.57Å; W364-K370 WeakPolarHBondContact O-CA 3.42Å; W364-V371 HydrophobicContact CB-CB 4.26Å; W364-V371 PolarHBondContact O-N 2.9Å; W364-N376 VanDerWaalsContact CE3-ND2 3.34Å; W364-V380 HydrophobicContact CH2-CG2 3.79Å; W364-V380 HydrophobicContact CZ3-CG2 3.7Å
365	D	96.3	Very high	95.3	Very high	79 Å²	79	67.2 Å²	67.2	42%	0.422	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	7.2	-179.8	68.3	-10.7	0	0	0	114.5	D363 K370	D363-D365 PolarHBondContact O-N 3.36Å; D365-K370 HydrophobicContact CB-CD 3.88Å; D365-K370 PolarHBondContact O-NZ 2.81Å
366	K	95.8	Very high	95.6	Very high	158 Å²	158	65 Å²	65	69%	0.687	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-37.9	-175.4	-177.9	-179.4	175.2	-175	0	113.3	D363	D363-K366 HydrophobicContact CB-CB 3.93Å; D363-K366 HydrophobicContact CB-CD 3.99Å; D363-K366 VanDerWaalsContact O-CB 3.3Å; D363-K366 WeakPolarHBondContact O-CB 3.48Å; D363-K366 PolarHBondContact O-N 2.91Å
367	N	96.1	Very high	96	Very high	91 Å²	91	64.3 Å²	64.3	49%	0.487	34%	0.335	S	S	.	.	S	Bend	trans	-93.5	163.3	-178.9	-62.6	-50.6	0	0	0	111	V369 K370	N367-V369 VanDerWaalsContact C-N 3.3Å; N367-V369 PolarHBondContact O-N 2.96Å; N367-K370 PolarHBondContact O-NZ 3.02Å
368	P	97.4	Very high	96.2	Very high	44 Å²	44	67.3 Å²	67.3	29%	0.286	34%	0.341	S	S	.	.	S	Bend	trans	-55.7	-43.4	174.4	-27.4	35.9	0	0	0	112.6	K370 A411 E412 K415	P368-K370 PolarHBondContact O-N 3.24Å; P368-A411 HydrophobicContact CB-CB 3.63Å; P368-E412 WeakPolarHBondContact CG-OE2 3.44Å; P368-K415 HydrophobicContact CB-CB 4.34Å
369	V	98.3	Very high	96.4	Very high	4 Å²	4	68.3 Å²	68.3	2%	0.024	36%	0.356	C	S	.	.	S	Bend	trans	-77.7	113.7	169.8	-174.3	0	0	0	0	109.3	N367 Y407 D408 A411 I422 K424	N367-V369 VanDerWaalsContact C-N 3.3Å; N367-V369 PolarHBondContact O-N 2.96Å; V369-Y407 HydrophobicContact CG1-CD1 3.97Å; V369-Y407 HydrophobicContact CG1-CE1 4.03Å; V369-Y407 HydrophobicContact CG2-CD1 4.06Å; V369-D408 WeakPolarHBondContact CG2-OD1 3.13Å; V369-A411 HydrophobicContact CB-CB 4.29Å; V369-A411 HydrophobicContact CG2-CB 3.36Å; V369-I422 WeakPolarHBondContact CA-O 3.43Å; V369-I422 HydrophobicContact CG2-CG2 4.48Å; V369-K424 HydrophobicContact CG1-CB 4.05Å; V369-K424 HydrophobicContact CG1-CD 3.8Å; V369-K424 HydrophobicContact CG1-CG 3.75Å
370	K	98.3	Very high	96.6	Very high	53 Å²	53	60.6 Å²	60.6	23%	0.23	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	140	176.7	-51.5	-59.4	173.6	-159.5	0	111	W364 D365 N367 P368 V421 I422 A423 K424	W364-K370 HydrophobicContact CE3-CB 4.41Å; W364-K370 HydrophobicContact CZ3-CB 4.34Å; W364-K370 CarbonylContact O-C 3.57Å; W364-K370 WeakPolarHBondContact O-CA 3.42Å; D365-K370 HydrophobicContact CB-CD 3.88Å; D365-K370 PolarHBondContact O-NZ 2.81Å; N367-K370 PolarHBondContact O-NZ 3.02Å; P368-K370 PolarHBondContact O-N 3.24Å; K370-V421 HydrophobicContact CG-CG1 3.89Å; K370-I422 PolarHBondContact N-O 2.79Å; K370-A423 HydrophobicContact CB-CB 4.02Å; K370-A423 CarbonylContact O-C 3.51Å; K370-A423 WeakPolarHBondContact O-CA 3.35Å; K370-K424 PolarHBondContact O-N 3.46Å
371	V	98.2	Very high	96.7	Very high	29 Å²	29	57.4 Å²	57.4	18%	0.176	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	122.8	174.8	-178	0	0	0	0	109	P361 W364 N376	P361-V371 HydrophobicContact CG-CG1 4.39Å; W364-V371 HydrophobicContact CB-CB 4.26Å; W364-V371 PolarHBondContact O-N 2.9Å; V371-N376 PolarHBondContact O-ND2 3.2Å
372	L	98.2	Very high	96.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	148.9	174.5	-52.5	-175.5	0	0	0	110.4	N376 F377 V380 A381 V390 A423 K424 M425	L372-N376 WeakPolarHBondContact CA-OD1 3.4Å; L372-F377 HydrophobicContact CB-CD2 4.29Å; L372-F377 HydrophobicContact CD1-CD2 3.71Å; L372-F377 HydrophobicContact CD1-CE2 4.08Å; L372-V380 HydrophobicContact CD2-CB 3.74Å; L372-V380 HydrophobicContact CD2-CG1 3.8Å; L372-V380 HydrophobicContact CD2-CG2 3.93Å; L372-A381 HydrophobicContact CD1-CB 4.27Å; L372-V390 HydrophobicContact CD1-CG1 4.16Å; L372-V390 HydrophobicContact CD1-CG2 4Å; L372-A423 HydrophobicContact CD1-CB 3.85Å; L372-A423 HydrophobicContact CD2-CB 4.39Å; L372-A423 HydrophobicContact CG-CB 3.93Å; L372-K424 PolarHBondContact N-O 2.97Å; L372-M425 HydrophobicContact CB-CB 4.16Å; L372-M425 HydrophobicContact CB-CG 4.23Å; L372-M425 HydrophobicContact CB-SD 4.5Å; L372-M425 WeakPolarHBondContact O-CG 3.49Å
373	V	96.7	Very high	96.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.275	C	S	.	.			trans	-134.1	169.2	170.2	-46.1	0	0	0	0	107.1	Q358 L360 S375 N376 F377 N430	Q358-V373 HydrophobicContact CG-CB 3.91Å; Q358-V373 HydrophobicContact CG-CG1 3.48Å; Q358-V373 VanDerWaalsContact CG-CG1 3.48Å; L360-V373 HydrophobicContact CB-CG2 3.94Å; L360-V373 HydrophobicContact CD1-CG1 4.24Å; L360-V373 HydrophobicContact CD1-CG2 3.85Å; V373-S375 WeakPolarHBondContact CG2-OG 3.47Å; V373-S375 PolarHBondContact O-N 3.07Å; V373-N376 PolarHBondContact N-OD1 2.83Å; V373-N376 PolarHBondContact O-N 3.28Å; V373-N376 PolarHBondContact O-OD1 2.99Å; V373-F377 WeakPolarHBondContact O-CB 3.39Å; V373-F377 PolarHBondContact O-N 3.22Å; V373-N430 VanDerWaalsContact CA-OD1 3.32Å; V373-N430 WeakPolarHBondContact CA-OD1 3.35Å; V373-N430 VanDerWaalsContact CB-OD1 3.3Å; V373-N430 WeakPolarHBondContact CB-OD1 3.3Å
374	S	94.8	Very high	96.8	Very high	30 Å²	30	52.6 Å²	52.6	21%	0.21	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-29.7	-175.1	-44.7	0	0	0	0	113.4	L356 S357 N430 E431	L356-S374 PolarHBondContact O-OG 3.4Å; S357-S374 WeakPolarHBondContact OG-CB 3.47Å; S374-N430 PolarHBondContact N-OD1 3.4Å; S374-N430 WeakPolarHBondContact OG-CB 3.21Å; S374-E431 PolarHBondContact OG-N 2.83Å; S374-E431 PolarHBondContact OG-O 3Å
375	S	94.7	Very high	96.8	Very high	86 Å²	86	52.2 Å²	52.2	60%	0.601	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-26.1	-177.4	66.9	0	0	0	0	116	V373	V373-S375 WeakPolarHBondContact CG2-OG 3.47Å; V373-S375 PolarHBondContact O-N 3.07Å
376	N	97.1	Very high	96.9	Very high	7 Å²	7	51.3 Å²	51.3	4%	0.037	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-3.7	176.7	76.4	-28.2	0	0	0	113.2	L360 W364 V371 L372 V373 E378 S379 V380	L360-N376 HydrophobicContact CD1-CB 4.07Å; L360-N376 VanDerWaalsContact CD1-CG 3.49Å; L360-N376 VanDerWaalsContact CD1-ND2 3.28Å; L360-N376 WeakPolarHBondContact CD1-ND2 3.49Å; L360-N376 HydrophobicContact CD2-CB 4.2Å; W364-N376 VanDerWaalsContact CE3-ND2 3.34Å; V371-N376 PolarHBondContact O-ND2 3.2Å; L372-N376 WeakPolarHBondContact CA-OD1 3.4Å; V373-N376 PolarHBondContact N-OD1 2.83Å; V373-N376 PolarHBondContact O-N 3.28Å; V373-N376 PolarHBondContact O-OD1 2.99Å; N376-E378 PolarHBondContact O-N 2.91Å; N376-S379 PolarHBondContact O-N 2.97Å; N376-S379 PolarHBondContact O-OG 3.27Å; N376-V380 WeakPolarHBondContact O-CG2 3.37Å; N376-V380 PolarHBondContact O-N 3.07Å
377	F	97.4	Very high	97	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56.8	-52	-176.2	-178.3	-89.8	0	0	0	112.1	L372 V373 S379 V380 A381 V390 F392 M425 L432 I435 F446	L372-F377 HydrophobicContact CB-CD2 4.29Å; L372-F377 HydrophobicContact CD1-CD2 3.71Å; L372-F377 HydrophobicContact CD1-CE2 4.08Å; V373-F377 WeakPolarHBondContact O-CB 3.39Å; V373-F377 PolarHBondContact O-N 3.22Å; F377-S379 PolarHBondContact O-N 3.41Å; F377-V380 PolarHBondContact O-N 2.96Å; F377-A381 HydrophobicContact CD1-CB 4.2Å; F377-A381 HydrophobicContact CD2-CB 4.15Å; F377-A381 HydrophobicContact CE1-CB 3.82Å; F377-A381 HydrophobicContact CE2-CB 3.78Å; F377-A381 HydrophobicContact CG-CB 4.35Å; F377-A381 HydrophobicContact CZ-CB 3.59Å; F377-A381 VanDerWaalsContact O-CB 3.27Å; F377-A381 WeakPolarHBondContact O-CB 3.36Å; F377-A381 PolarHBondContact O-N 3.32Å; F377-V390 HydrophobicContact CE2-CG1 4.27Å; F377-V390 HydrophobicContact CE2-CG2 4.35Å; F377-F392 AromaticContact CE2-CE1 3.82Å; F377-F392 HydrophobicContact CE2-CE1 3.82Å; F377-F392 AromaticContact CE2-CZ 3.58Å; F377-F392 HydrophobicContact CE2-CZ 3.58Å; F377-F392 HydrophobicContact CZ-CE1 4.34Å; F377-F392 AromaticContact CZ-CZ 3.81Å; F377-F392 HydrophobicContact CZ-CZ 3.81Å; F377-M425 HydrophobicContact CD2-SD 3.64Å; F377-M425 HydrophobicContact CE2-SD 4.22Å; F377-M425 HydrophobicContact CG-SD 4.37Å; F377-L432 HydrophobicContact CB-CD1 4.47Å; F377-L432 HydrophobicContact CB-CD2 3.74Å; F377-L432 HydrophobicContact CD1-CD1 3.51Å; F377-L432 HydrophobicContact CD1-CD2 3.83Å; F377-L432 HydrophobicContact CD1-CG 4.31Å; F377-L432 HydrophobicContact CD2-CD1 3.59Å; F377-L432 HydrophobicContact CD2-CD2 4.38Å; F377-L432 HydrophobicContact CE1-CD1 3.49Å; F377-L432 VanDerWaalsContact CE1-CD1 3.49Å; F377-L432 HydrophobicContact CE2-CD1 3.55Å; F377-L432 HydrophobicContact CG-CD1 3.56Å; F377-L432 HydrophobicContact CG-CD2 3.7Å; F377-L432 HydrophobicContact CG-CG 4.29Å; F377-L432 HydrophobicContact CZ-CD1 3.5Å; F377-L432 VanDerWaalsContact CZ-CD1 3.5Å; F377-I435 HydrophobicContact CE1-CG1 4.31Å; F377-I435 HydrophobicContact CZ-CG1 4.31Å; F377-F446 HydrophobicContact CE1-CE1 4.42Å; F377-F446 HydrophobicContact CE1-CZ 4.27Å; F377-F446 HydrophobicContact CE2-CZ 4.5Å; F377-F446 HydrophobicContact CZ-CE1 4.12Å; F377-F446 AromaticContact CZ-CE2 3.99Å; F377-F446 HydrophobicContact CZ-CE2 3.99Å; F377-F446 AromaticContact CZ-CZ 3.54Å; F377-F446 HydrophobicContact CZ-CZ 3.54Å
378	E	95.6	Very high	97.1	Very high	132 Å²	132	39.9 Å²	39.9	62%	0.617	22%	0.223	S	C	*	.	H	α-helix	trans	-63.3	-40.7	-177.2	-69.4	-170.5	160.2	0	0	112.5	N376 V380 L382	N376-E378 PolarHBondContact O-N 2.91Å; E378-V380 VanDerWaalsContact C-N 3.26Å; E378-V380 PolarHBondContact O-N 3.39Å; E378-L382 HydrophobicContact CB-CD1 4.25Å; E378-L382 HydrophobicContact CG-CD1 4.03Å; E378-L382 VanDerWaalsContact O-CB 3.27Å; E378-L382 WeakPolarHBondContact O-CB 3.46Å; E378-L382 PolarHBondContact O-N 2.93Å
379	S	96.4	Very high	97.2	Very high	85 Å²	85	37.8 Å²	37.8	59%	0.594	21%	0.209	S	C	*	.	H	α-helix	trans	-69.9	-24.4	-178.1	59.3	0	0	0	0	113.2	N376 F377	N376-S379 PolarHBondContact O-N 2.97Å; N376-S379 PolarHBondContact O-OG 3.27Å; F377-S379 PolarHBondContact O-N 3.41Å
380	V	97.4	Very high	97.2	Very high	19 Å²	19	37.6 Å²	37.6	12%	0.115	21%	0.208	C	C	.	.	H	α-helix	trans	-97.2	-60.4	178.4	-177.9	0	0	0	0	110.9	W364 L372 N376 F377 E378 L382 D383 V388 V421	W364-V380 HydrophobicContact CH2-CG2 3.79Å; W364-V380 HydrophobicContact CZ3-CG2 3.7Å; L372-V380 HydrophobicContact CD2-CB 3.74Å; L372-V380 HydrophobicContact CD2-CG1 3.8Å; L372-V380 HydrophobicContact CD2-CG2 3.93Å; N376-V380 WeakPolarHBondContact O-CG2 3.37Å; N376-V380 PolarHBondContact O-N 3.07Å; F377-V380 PolarHBondContact O-N 2.96Å; E378-V380 VanDerWaalsContact C-N 3.26Å; E378-V380 PolarHBondContact O-N 3.39Å; V380-L382 VanDerWaalsContact C-N 3.32Å; V380-L382 PolarHBondContact O-N 2.76Å; V380-D383 PolarHBondContact O-N 3.32Å; V380-V388 WeakPolarHBondContact O-CG2 3.45Å; V380-V421 HydrophobicContact CG1-CG1 4.23Å
381	A	97.4	Very high	97.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-69.9	-26.2	-172.4	0	0	0	0	0	113.4	L372 F377 V388 V390 F446	L372-A381 HydrophobicContact CD1-CB 4.27Å; F377-A381 HydrophobicContact CD1-CB 4.2Å; F377-A381 HydrophobicContact CD2-CB 4.15Å; F377-A381 HydrophobicContact CE1-CB 3.82Å; F377-A381 HydrophobicContact CE2-CB 3.78Å; F377-A381 HydrophobicContact CG-CB 4.35Å; F377-A381 HydrophobicContact CZ-CB 3.59Å; F377-A381 VanDerWaalsContact O-CB 3.27Å; F377-A381 WeakPolarHBondContact O-CB 3.36Å; F377-A381 PolarHBondContact O-N 3.32Å; A381-V388 HydrophobicContact CB-CG1 4.46Å; A381-V390 HydrophobicContact CB-CG2 4.13Å; A381-F446 HydrophobicContact CB-CD2 4.1Å; A381-F446 HydrophobicContact CB-CE2 4.27Å; A381-F446 HydrophobicContact CB-CG 4.32Å; A381-F446 WeakPolarHBondContact O-CB 3.37Å; A381-F446 WeakPolarHBondContact O-CG 3.41Å
382	L	96	Very high	97.1	Very high	51 Å²	51	34 Å²	34	27%	0.267	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	15.4	179.9	-48.5	-178.5	0	0	0	112.7	E378 V380 K384 F446 N451	E378-L382 HydrophobicContact CB-CD1 4.25Å; E378-L382 HydrophobicContact CG-CD1 4.03Å; E378-L382 VanDerWaalsContact O-CB 3.27Å; E378-L382 WeakPolarHBondContact O-CB 3.46Å; E378-L382 PolarHBondContact O-N 2.93Å; V380-L382 VanDerWaalsContact C-N 3.32Å; V380-L382 PolarHBondContact O-N 2.76Å; L382-K384 PolarHBondContact O-N 2.77Å; L382-K384 VanDerWaalsContact O-N 3.09Å; L382-F446 HydrophobicContact CD2-CD1 3.45Å; L382-F446 VanDerWaalsContact CD2-CD1 3.45Å; L382-F446 HydrophobicContact CD2-CE1 3.78Å; L382-F446 HydrophobicContact CD2-CG 4.4Å; L382-N451 PolarHBondContact O-ND2 3.41Å; L382-N451 PolarHBondContact O-OD1 3.39Å
383	D	97.2	Very high	97	Very high	62 Å²	62	36.3 Å²	36.3	33%	0.332	20%	0.199	S	C	.	.			trans	-68	104.5	169.6	-177.8	-6.9	0	0	0	109.7	V380 S385 K386	V380-D383 PolarHBondContact O-N 3.32Å; D383-S385 PolarHBondContact O-N 2.6Å; D383-S385 VanDerWaalsContact OD1-CB 3.31Å; D383-S385 WeakPolarHBondContact OD1-CB 3.5Å; D383-S385 PolarHBondContact OD1-N 2.72Å; D383-S385 PolarHBondContact OD1-OG 2.92Å; D383-S385 PolarHBondContact OD2-OG 3.19Å; D383-S385 VanDerWaalsContact OD2-OG 3.06Å; D383-K386 HydrophobicContact CB-CB 4.47Å; D383-K386 HydrophobicContact CB-CG 4.21Å; D383-K386 PolarHBondContact O-N 3.18Å
384	K	96.8	Very high	96.6	Very high	113 Å²	113	36.3 Å²	36.3	49%	0.491	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-12.4	-179.9	-68.9	-177.8	170.7	-163.5	0	114.2	L382 K386 K448 E449 N451	L382-K384 PolarHBondContact O-N 2.77Å; L382-K384 VanDerWaalsContact O-N 3.09Å; K384-K386 VanDerWaalsContact C-N 3.27Å; K384-K448 VanDerWaalsContact O-CG 3.3Å; K384-K448 WeakPolarHBondContact O-CG 3.43Å; K384-E449 WeakPolarHBondContact CD-O 3.44Å; K384-E449 WeakPolarHBondContact O-CA 3.47Å; K384-E449 PolarHBondContact O-N 3.31Å; K384-N451 VanDerWaalsContact CG-ND2 3.35Å; K384-N451 WeakPolarHBondContact CG-ND2 3.37Å
385	S	97.3	Very high	96.3	Very high	54 Å²	54	37.9 Å²	37.9	38%	0.378	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-9.3	172.6	76.1	0	0	0	0	113.2	D383 K448	D383-S385 PolarHBondContact O-N 2.6Å; D383-S385 VanDerWaalsContact OD1-CB 3.31Å; D383-S385 WeakPolarHBondContact OD1-CB 3.5Å; D383-S385 PolarHBondContact OD1-N 2.72Å; D383-S385 PolarHBondContact OD1-OG 2.92Å; D383-S385 PolarHBondContact OD2-OG 3.19Å; D383-S385 VanDerWaalsContact OD2-OG 3.06Å; S385-K448 WeakPolarHBondContact O-CD 3.15Å; S385-K448 WeakPolarHBondContact O-CE 3.25Å; S385-K448 PolarHBondContact O-NZ 3.05Å
386	K	97.6	Very high	95.7	Very high	59 Å²	59	40 Å²	40	26%	0.257	20%	0.204	S	C	.	.	S	Bend	trans	-122.7	153.8	-175.1	-53.6	-59.6	176.8	-169.1	0	112.4	D383 K384 V388 E418 D419 V421 K448	D383-K386 HydrophobicContact CB-CB 4.47Å; D383-K386 HydrophobicContact CB-CG 4.21Å; D383-K386 PolarHBondContact O-N 3.18Å; K384-K386 VanDerWaalsContact C-N 3.27Å; K386-V388 HydrophobicContact CB-CG2 3.84Å; K386-E418 WeakPolarHBondContact CD-O 3.42Å; K386-E418 PolarHBondContact NZ-O 3.42Å; K386-D419 CarbonylContact C-O 3.41Å; K386-D419 VanDerWaalsContact CA-O 3.27Å; K386-D419 WeakPolarHBondContact CA-O 3.42Å; K386-V421 HydrophobicContact CB-CG2 4.2Å; K386-V421 HydrophobicContact CD-CG2 4.35Å; K386-V421 HydrophobicContact CG-CG2 4.17Å; K386-K448 WeakPolarHBondContact O-CA 3.32Å; K386-K448 WeakPolarHBondContact O-CB 3.39Å; K386-K448 PolarHBondContact O-N 3.4Å
387	S	97.9	Very high	95.1	Very high	9 Å²	9	40.3 Å²	40.3	6%	0.063	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	108.1	166.5	-81.2	0	0	0	0	107.7	D419 I420 V421 Y445 K448	S387-D419 PolarHBondContact N-O 2.79Å; S387-I420 WeakPolarHBondContact O-CA 3.33Å; S387-V421 PolarHBondContact O-N 3.2Å; S387-Y445 WeakPolarHBondContact CB-OH 3.47Å; S387-Y445 PolarHBondContact OG-OH 2.8Å; S387-K448 WeakPolarHBondContact OG-CB 3.43Å
388	V	98.4	Very high	94.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.2	-170.6	-167.9	0	0	0	0	111.2	V380 A381 K386 V390 V421 A423 Y445 F446	V380-V388 WeakPolarHBondContact O-CG2 3.45Å; A381-V388 HydrophobicContact CB-CG1 4.46Å; K386-V388 HydrophobicContact CB-CG2 3.84Å; V388-V390 HydrophobicContact CG1-CG2 3.89Å; V388-V421 CarbonylContact C-O 3.58Å; V388-V421 WeakPolarHBondContact CA-O 3.44Å; V388-V421 HydrophobicContact CB-CB 4.45Å; V388-V421 HydrophobicContact CG1-CB 4.06Å; V388-V421 HydrophobicContact CG1-CG1 4.12Å; V388-V421 HydrophobicContact CG2-CB 4.12Å; V388-A423 HydrophobicContact CG1-CB 4.45Å; V388-Y445 CarbonylContact O-C 3.54Å; V388-Y445 WeakPolarHBondContact O-CA 3.44Å; V388-F446 HydrophobicContact CB-CB 4.28Å; V388-F446 PolarHBondContact N-O 3.21Å; V388-F446 PolarHBondContact O-N 2.97Å
389	L	98.5	Very high	94.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	124.5	170.3	-166.3	71.3	0	0	0	108.7	Y407 L410 V421 I422 A423 I443 Y445 F465 F468 L469	L389-Y407 HydrophobicContact CD2-CE2 3.92Å; L389-Y407 HydrophobicContact CG-CE2 4.49Å; L389-Y407 PolarHBondContact O-OH 3.17Å; L389-Y407 VanDerWaalsContact O-OH 3.07Å; L389-L410 HydrophobicContact CD2-CD2 3.69Å; L389-V421 PolarHBondContact N-O 3.44Å; L389-I422 HydrophobicContact CB-CD1 3.87Å; L389-I422 HydrophobicContact CD2-CD1 4.21Å; L389-A423 PolarHBondContact O-N 2.87Å; L389-I443 HydrophobicContact CD1-CG2 3.61Å; L389-I443 HydrophobicContact CD2-CG2 4.3Å; L389-I443 HydrophobicContact CG-CG2 3.83Å; L389-Y445 HydrophobicContact CD1-CD2 4.24Å; L389-F465 HydrophobicContact CD2-CD1 3.85Å; L389-F465 HydrophobicContact CD2-CE1 4.19Å; L389-F468 HydrophobicContact CD1-CE1 4.29Å; L389-L469 HydrophobicContact CB-CD2 4.23Å; L389-L469 HydrophobicContact CD2-CD1 4.4Å; L389-L469 HydrophobicContact CD2-CD2 4.46Å
390	V	98.7	Very high	94.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.8	-179.9	-171.6	0	0	0	0	110.5	L372 F377 A381 V388 F392 A423 M425 I443 K444 F446	L372-V390 HydrophobicContact CD1-CG1 4.16Å; L372-V390 HydrophobicContact CD1-CG2 4Å; F377-V390 HydrophobicContact CE2-CG1 4.27Å; F377-V390 HydrophobicContact CE2-CG2 4.35Å; A381-V390 HydrophobicContact CB-CG2 4.13Å; V388-V390 HydrophobicContact CG1-CG2 3.89Å; V390-F392 HydrophobicContact CB-CE2 3.92Å; V390-F392 HydrophobicContact CB-CZ 4.23Å; V390-F392 HydrophobicContact CG1-CD2 4.23Å; V390-F392 HydrophobicContact CG1-CE1 4.21Å; V390-F392 HydrophobicContact CG1-CE2 3.84Å; V390-F392 HydrophobicContact CG1-CZ 3.85Å; V390-A423 CarbonylContact C-O 3.52Å; V390-A423 VanDerWaalsContact CA-O 3.28Å; V390-A423 WeakPolarHBondContact CA-O 3.37Å; V390-A423 HydrophobicContact CG2-CB 4.34Å; V390-M425 HydrophobicContact CG1-CB 4.33Å; V390-I443 WeakPolarHBondContact O-CA 3.46Å; V390-K444 PolarHBondContact N-O 2.82Å; V390-K444 PolarHBondContact O-N 2.85Å; V390-F446 HydrophobicContact CB-CE2 4.1Å; V390-F446 HydrophobicContact CG2-CD2 3.87Å; V390-F446 HydrophobicContact CG2-CE2 3.67Å
391	E	98.5	Very high	94.2	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.028	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	115	164.5	-173.9	-165.4	-177.3	0	0	110.2	L403 Y407 A423 K424 M425 P441 I443	E391-L403 HydrophobicContact CG-CD2 4.15Å; E391-L403 WeakPolarHBondContact OE1-CD2 3.39Å; E391-Y407 HydrophobicContact CB-CD1 4.42Å; E391-Y407 HydrophobicContact CB-CE1 3.89Å; E391-Y407 HydrophobicContact CB-CE2 4.11Å; E391-Y407 PolarHBondContact N-OH 3.2Å; E391-A423 PolarHBondContact N-O 3.36Å; E391-K424 HydrophobicContact CB-CB 4.22Å; E391-K424 CarbonylContact O-C 3.46Å; E391-K424 VanDerWaalsContact O-CA 3.26Å; E391-K424 WeakPolarHBondContact O-CA 3.34Å; E391-M425 PolarHBondContact O-N 2.85Å; E391-P441 HydrophobicContact CG-CB 4.04Å; E391-I443 HydrophobicContact CB-CG1 4.44Å; E391-I443 HydrophobicContact CG-CG1 4.31Å
392	F	97.6	Very high	94.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	112.3	167.7	-62.7	-86.7	0	0	0	108.9	F377 V390 M425 S427 L432 I435 I437 P441 T442 K444 F446	F377-F392 AromaticContact CE2-CE1 3.82Å; F377-F392 HydrophobicContact CE2-CE1 3.82Å; F377-F392 AromaticContact CE2-CZ 3.58Å; F377-F392 HydrophobicContact CE2-CZ 3.58Å; F377-F392 HydrophobicContact CZ-CE1 4.34Å; F377-F392 AromaticContact CZ-CZ 3.81Å; F377-F392 HydrophobicContact CZ-CZ 3.81Å; V390-F392 HydrophobicContact CB-CE2 3.92Å; V390-F392 HydrophobicContact CB-CZ 4.23Å; V390-F392 HydrophobicContact CG1-CD2 4.23Å; V390-F392 HydrophobicContact CG1-CE1 4.21Å; V390-F392 HydrophobicContact CG1-CE2 3.84Å; V390-F392 HydrophobicContact CG1-CZ 3.85Å; F392-M425 WeakPolarHBondContact CA-O 3.28Å; F392-M425 HydrophobicContact CD1-CB 4.13Å; F392-M425 HydrophobicContact CD1-CE 3.6Å; F392-M425 HydrophobicContact CD1-SD 4.42Å; F392-M425 HydrophobicContact CE1-CB 4.33Å; F392-M425 HydrophobicContact CE1-CE 3.48Å; F392-M425 VanDerWaalsContact CE1-CE 3.48Å; F392-M425 HydrophobicContact CE1-SD 4Å; F392-S427 WeakPolarHBondContact CB-OG 3.46Å; F392-S427 WeakPolarHBondContact CD1-OG 3.32Å; F392-L432 HydrophobicContact CE1-CD1 3.91Å; F392-L432 HydrophobicContact CZ-CD1 4.38Å; F392-I435 HydrophobicContact CE1-CG2 4.2Å; F392-I435 HydrophobicContact CE2-CG2 4.25Å; F392-I435 HydrophobicContact CZ-CG2 3.81Å; F392-I437 HydrophobicContact CB-CD1 3.76Å; F392-I437 HydrophobicContact CB-CG1 3.86Å; F392-I437 HydrophobicContact CB-CG2 4Å; F392-I437 HydrophobicContact CD1-CD1 3.81Å; F392-I437 HydrophobicContact CD1-CG1 3.72Å; F392-I437 HydrophobicContact CD2-CD1 3.56Å; F392-I437 HydrophobicContact CD2-CG1 4.36Å; F392-I437 HydrophobicContact CE1-CD1 4.27Å; F392-I437 HydrophobicContact CE1-CG1 4.34Å; F392-I437 HydrophobicContact CE2-CD1 4.06Å; F392-I437 HydrophobicContact CG-CD1 3.41Å; F392-I437 VanDerWaalsContact CG-CD1 3.41Å; F392-I437 HydrophobicContact CG-CG1 3.71Å; F392-I437 HydrophobicContact CZ-CD1 4.37Å; F392-P441 VanDerWaalsContact O-CA 3.32Å; F392-P441 WeakPolarHBondContact O-CA 3.21Å; F392-T442 WeakPolarHBondContact CA-O 3.48Å; F392-T442 WeakPolarHBondContact CB-O 3.35Å; F392-T442 PolarHBondContact N-O 3.38Å; F392-T442 PolarHBondContact O-N 2.83Å; F392-K444 HydrophobicContact CD2-CD 4.48Å; F392-K444 HydrophobicContact CD2-CG 4.33Å; F392-K444 HydrophobicContact CE2-CB 3.98Å; F392-K444 HydrophobicContact CE2-CD 3.95Å; F392-K444 HydrophobicContact CE2-CG 4Å; F392-F446 HydrophobicContact CZ-CZ 4.45Å
393	Y	95.4	Very high	94.1	Very high	50 Å²	50	47.3 Å²	47.3	20%	0.196	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	168.8	-170.5	76.6	-82.2	0	0	0	112.6	P395 C400 K424 M425 D426 S427	Y393-P395 HydrophobicContact CE2-CG 4.41Å; Y393-C400 VanDerWaalsContact CB-SG 3.54Å; Y393-K424 HydrophobicContact CD1-CB 4.09Å; Y393-K424 HydrophobicContact CE1-CB 3.96Å; Y393-K424 HydrophobicContact CE1-CD 4.02Å; Y393-K424 HydrophobicContact CE1-CG 3.93Å; Y393-M425 VanDerWaalsContact CD1-C 3.47Å; Y393-M425 WeakPolarHBondContact CD1-O 3.39Å; Y393-M425 PolarHBondContact N-O 2.64Å; Y393-D426 HydrophobicContact CE1-CB 4.08Å; Y393-D426 VanDerWaalsContact CE1-N 3.34Å; Y393-D426 HydrophobicContact CE2-CB 4.31Å; Y393-S427 PolarHBondContact O-N 2.94Å
394	A	88.8	Confident	94.1	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.234	C	C	.	.			trans	-124.3	136.2	167.3	0	0	0	0	0	109.7	W396 C397 T428 F440	A394-W396 HydrophobicContact CB-CD2 4.15Å; A394-W396 HydrophobicContact CB-CH2 4.36Å; A394-W396 HydrophobicContact CB-CZ2 3.91Å; A394-W396 PolarHBondContact O-N 3.35Å; A394-W396 VanDerWaalsContact O-N 3.09Å; A394-C397 HydrophobicContact CB-CB 4.14Å; A394-C397 WeakPolarHBondContact O-CB 3.43Å; A394-C397 PolarHBondContact O-N 3.46Å; A394-T428 HydrophobicContact CB-CG2 3.43Å; A394-T428 VanDerWaalsContact CB-CG2 3.43Å; A394-F440 HydrophobicContact CB-CB 4.29Å; A394-F440 HydrophobicContact CB-CD1 4.38Å; A394-F440 HydrophobicContact CB-CD2 3.49Å; A394-F440 VanDerWaalsContact CB-CD2 3.49Å; A394-F440 HydrophobicContact CB-CE2 3.84Å; A394-F440 HydrophobicContact CB-CG 3.79Å; A394-F440 HydrophobicContact CB-CZ 4.44Å
395	P	87.7	Confident	94.2	Very high	62 Å²	62	44.1 Å²	44.1	40%	0.403	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.2	-176.4	-27.6	35.1	0	0	0	114.5	Y393 K401 D426 T428	Y393-P395 HydrophobicContact CE2-CG 4.41Å; P395-K401 WeakPolarHBondContact O-CE 3.27Å; P395-K401 PolarHBondContact O-NZ 2.91Å; P395-D426 WeakPolarHBondContact CD-OD1 3.46Å; P395-D426 WeakPolarHBondContact CD-OD2 3.39Å; P395-D426 WeakPolarHBondContact CG-OD2 3.35Å; P395-T428 WeakPolarHBondContact CD-OG1 3.31Å
396	W	81.8	Confident	94.2	Very high	131 Å²	131	43.8 Å²	43.8	50%	0.496	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-6.9	179.4	49.9	-103.8	0	0	0	113.9	A394 G398 T428 F440	A394-W396 HydrophobicContact CB-CD2 4.15Å; A394-W396 HydrophobicContact CB-CH2 4.36Å; A394-W396 HydrophobicContact CB-CZ2 3.91Å; A394-W396 PolarHBondContact O-N 3.35Å; A394-W396 VanDerWaalsContact O-N 3.09Å; W396-G398 PolarHBondContact O-N 3.04Å; W396-T428 HydrophobicContact CZ2-CG2 4.5Å; W396-F440 HydrophobicContact CH2-CD2 4.15Å; W396-F440 HydrophobicContact CH2-CE2 4.43Å; W396-F440 HydrophobicContact CZ2-CD2 4.4Å; W396-F440 HydrophobicContact CZ2-CE2 4.35Å
397	C	84.9	Confident	94.2	Very high	13 Å²	13	41 Å²	41	9%	0.088	22%	0.215	C	C	.	.			trans	-74.2	123.1	-177.8	177.2	0	0	0	0	111.9	A394 H399 C400 K401 F440	A394-C397 HydrophobicContact CB-CB 4.14Å; A394-C397 WeakPolarHBondContact O-CB 3.43Å; A394-C397 PolarHBondContact O-N 3.46Å; C397-H399 PolarHBondContact O-N 3.2Å; C397-C400 HydrophobicContact CB-CB 3.91Å; C397-C400 WeakPolarHBondContact CB-SG 3.48Å; C397-C400 PolarHBondContact O-N 3.38Å; C397-C400 PolarHBondContact SG-SG 3.35Å; C397-K401 WeakPolarHBondContact O-CG 3.4Å; C397-K401 PolarHBondContact O-N 2.9Å; C397-F440 HydrophobicContact CB-CB 4.13Å; C397-F440 PolarHBondContact SG-O 3.03Å; C397-F440 VanDerWaalsContact SG-O 3.38Å
398	G	88	Confident	94.3	Very high	43 Å²	43	44.7 Å²	44.7	44%	0.443	23%	0.234	S	C	.	.	H	α-helix	trans	-61.8	-41.7	178.1	0	0	0	0	0	113.2	W396 C400 K401 Q402	W396-G398 PolarHBondContact O-N 3.04Å; G398-C400 PolarHBondContact O-N 3.23Å; G398-K401 PolarHBondContact O-N 3.49Å; G398-Q402 WeakPolarHBondContact O-CG 3.43Å; G398-Q402 PolarHBondContact O-N 3.32Å; G398-Q402 VanDerWaalsContact O-N 3.08Å
399	H	90.2	Very high	94.2	Very high	110 Å²	110	49.8 Å²	49.8	51%	0.509	26%	0.258	S	S	.	.	H	α-helix	trans	-66	-36.8	177.9	-61.5	155.7	0	0	0	112.5	C397 Q402 L403	C397-H399 PolarHBondContact O-N 3.2Å; H399-Q402 PolarHBondContact O-N 3.46Å; H399-L403 WeakPolarHBondContact O-CB 3.06Å; H399-L403 PolarHBondContact O-N 3.09Å
400	C	94.1	Very high	94.2	Very high	6 Å²	6	49.8 Å²	49.8	4%	0.041	26%	0.258	C	S	.	.	H	α-helix	trans	-63.3	-42.6	173.8	-62.3	0	0	0	0	111.6	Y393 C397 G398 Q402 L403 A404 P441	Y393-C400 VanDerWaalsContact CB-SG 3.54Å; C397-C400 HydrophobicContact CB-CB 3.91Å; C397-C400 WeakPolarHBondContact CB-SG 3.48Å; C397-C400 PolarHBondContact O-N 3.38Å; C397-C400 PolarHBondContact SG-SG 3.35Å; G398-C400 PolarHBondContact O-N 3.23Å; C400-Q402 VanDerWaalsContact C-N 3.3Å; C400-Q402 PolarHBondContact O-N 2.87Å; C400-L403 PolarHBondContact O-N 3.47Å; C400-A404 PolarHBondContact O-N 2.89Å; C400-P441 VanDerWaalsContact SG-CB 3.59Å; C400-P441 VanDerWaalsContact SG-CD 3.53Å; C400-P441 VanDerWaalsContact SG-N 3.45Å
401	K	95	Very high	94.2	Very high	131 Å²	131	49.9 Å²	49.9	57%	0.57	26%	0.258	S	S	*	.	H	α-helix	trans	-63.3	-36.2	177.2	-69.2	175.4	-175.8	176.6	0	112.6	P395 C397 G398 P405	P395-K401 WeakPolarHBondContact O-CE 3.27Å; P395-K401 PolarHBondContact O-NZ 2.91Å; C397-K401 WeakPolarHBondContact O-CG 3.4Å; C397-K401 PolarHBondContact O-N 2.9Å; G398-K401 PolarHBondContact O-N 3.49Å; K401-P405 WeakPolarHBondContact O-CD 3.28Å
402	Q	95.2	Very high	94.2	Very high	142 Å²	142	54.1 Å²	54.1	66%	0.664	28%	0.278	S	S	*	.	H	α-helix	trans	-72	-34.4	175.4	-71.2	173.9	0.8	0	0	112.4	G398 H399 C400 P405	G398-Q402 WeakPolarHBondContact O-CG 3.43Å; G398-Q402 PolarHBondContact O-N 3.32Å; G398-Q402 VanDerWaalsContact O-N 3.08Å; H399-Q402 PolarHBondContact O-N 3.46Å; C400-Q402 VanDerWaalsContact C-N 3.3Å; C400-Q402 PolarHBondContact O-N 2.87Å; Q402-P405 WeakPolarHBondContact O-CD 3.47Å
403	L	97.1	Very high	94.2	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-72.6	-34.7	177.5	176.3	56.5	0	0	0	112.6	E391 H399 C400 I406 Y407 P441 I443 R460 F465	E391-L403 HydrophobicContact CG-CD2 4.15Å; E391-L403 WeakPolarHBondContact OE1-CD2 3.39Å; H399-L403 WeakPolarHBondContact O-CB 3.06Å; H399-L403 PolarHBondContact O-N 3.09Å; C400-L403 PolarHBondContact O-N 3.47Å; L403-I406 HydrophobicContact CD1-CB 4.3Å; L403-I406 HydrophobicContact CD1-CG2 4.49Å; L403-I406 WeakPolarHBondContact O-CA 3.35Å; L403-I406 WeakPolarHBondContact O-CB 3.43Å; L403-I406 PolarHBondContact O-N 2.92Å; L403-Y407 HydrophobicContact CD1-CD2 4.47Å; L403-Y407 PolarHBondContact O-N 2.59Å; L403-P441 HydrophobicContact CD2-CB 4.06Å; L403-P441 HydrophobicContact CD2-CG 3.83Å; L403-I443 HydrophobicContact CD2-CD1 3.96Å; L403-I443 HydrophobicContact CD2-CG1 4.32Å; L403-R460 HydrophobicContact CD1-CB 4.25Å; L403-F465 HydrophobicContact CD1-CE2 3.6Å; L403-F465 HydrophobicContact CD1-CZ 3.89Å
404	A	97.4	Very high	94.2	Very high	34 Å²	34	58.6 Å²	58.6	28%	0.281	30%	0.298	S	S	.	.	H	α-helix	trans	-49	-46.9	-172.2	0	0	0	0	0	114.8	C400 I406 Y407 D408	C400-A404 PolarHBondContact O-N 2.89Å; A404-I406 VanDerWaalsContact C-N 3.33Å; A404-I406 PolarHBondContact O-N 3.06Å; A404-Y407 PolarHBondContact O-N 3.24Å; A404-D408 PolarHBondContact O-N 2.94Å
405	P	97.7	Very high	94.5	Very high	73 Å²	73	63.6 Å²	63.6	47%	0.474	32%	0.32	S	S	.	.	H	α-helix	trans	-64.2	-33.7	177.6	-21.4	33.9	0	0	0	114.1	K401 Q402 Q409	K401-P405 WeakPolarHBondContact O-CD 3.28Å; Q402-P405 WeakPolarHBondContact O-CD 3.47Å; P405-Q409 WeakPolarHBondContact O-CG 3.34Å; P405-Q409 PolarHBondContact O-N 3.35Å
406	I	98.2	Very high	94.9	Very high	47 Å²	47	67.3 Å²	67.3	24%	0.241	34%	0.337	C	S	.	.	H	α-helix	trans	-71.3	-41.2	177.1	-62	170.6	0	0	0	109.4	L403 A404 D408 Q409 L410 R460 L462 F465	L403-I406 HydrophobicContact CD1-CB 4.3Å; L403-I406 HydrophobicContact CD1-CG2 4.49Å; L403-I406 WeakPolarHBondContact O-CA 3.35Å; L403-I406 WeakPolarHBondContact O-CB 3.43Å; L403-I406 PolarHBondContact O-N 2.92Å; A404-I406 VanDerWaalsContact C-N 3.33Å; A404-I406 PolarHBondContact O-N 3.06Å; I406-D408 VanDerWaalsContact C-N 3.35Å; I406-Q409 WeakPolarHBondContact O-CB 3.42Å; I406-Q409 PolarHBondContact O-N 3.39Å; I406-L410 PolarHBondContact O-N 3.35Å; I406-R460 WeakPolarHBondContact CD1-O 3.35Å; I406-L462 HydrophobicContact CG2-CB 4.17Å; I406-F465 HydrophobicContact CG2-CD2 4.24Å; I406-F465 HydrophobicContact CG2-CE2 4.33Å
407	Y	98.1	Very high	95.5	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.008	33%	0.331	C	S	.	.	H	α-helix	trans	-66.1	-37.3	178.1	-147.7	-107.5	0	0	0	112.2	V369 L389 E391 L403 A404 L410 A411 I422 A423 F465	V369-Y407 HydrophobicContact CG1-CD1 3.97Å; V369-Y407 HydrophobicContact CG1-CE1 4.03Å; V369-Y407 HydrophobicContact CG2-CD1 4.06Å; L389-Y407 HydrophobicContact CD2-CE2 3.92Å; L389-Y407 HydrophobicContact CG-CE2 4.49Å; L389-Y407 PolarHBondContact O-OH 3.17Å; L389-Y407 VanDerWaalsContact O-OH 3.07Å; E391-Y407 HydrophobicContact CB-CD1 4.42Å; E391-Y407 HydrophobicContact CB-CE1 3.89Å; E391-Y407 HydrophobicContact CB-CE2 4.11Å; E391-Y407 PolarHBondContact N-OH 3.2Å; L403-Y407 HydrophobicContact CD1-CD2 4.47Å; L403-Y407 PolarHBondContact O-N 2.59Å; A404-Y407 PolarHBondContact O-N 3.24Å; Y407-L410 HydrophobicContact CD2-CD2 4.31Å; Y407-L410 HydrophobicContact CE2-CD2 4.25Å; Y407-L410 WeakPolarHBondContact O-CB 3.39Å; Y407-L410 PolarHBondContact O-N 3.05Å; Y407-A411 WeakPolarHBondContact O-CB 3.32Å; Y407-A411 PolarHBondContact O-N 3.15Å; Y407-I422 HydrophobicContact CD1-CG2 3.82Å; Y407-I422 HydrophobicContact CE1-CG2 3.28Å; Y407-I422 HydrophobicContact CE2-CG2 4.23Å; Y407-I422 HydrophobicContact CG-CG2 4.48Å; Y407-A423 VanDerWaalsContact CE1-O 3.27Å; Y407-A423 WeakPolarHBondContact CE1-O 3.44Å; Y407-A423 PolarHBondContact OH-O 2.77Å; Y407-F465 HydrophobicContact CD2-CZ 4.48Å
408	D	98.3	Very high	95.9	Very high	85 Å²	85	71.8 Å²	71.8	46%	0.455	36%	0.364	S	S	.	.	H	α-helix	trans	-63.7	-42.1	172.1	-71.8	-25.4	0	0	0	111.6	V369 A404 I406 A411 E412	V369-D408 WeakPolarHBondContact CG2-OD1 3.13Å; A404-D408 PolarHBondContact O-N 2.94Å; I406-D408 VanDerWaalsContact C-N 3.35Å; D408-A411 PolarHBondContact O-N 3.16Å; D408-E412 WeakPolarHBondContact O-CB 3.39Å; D408-E412 PolarHBondContact O-N 3.43Å
409	Q	98.3	Very high	96.3	Very high	108 Å²	108	72.9 Å²	72.9	51%	0.505	36%	0.36	S	S	.	.	H	α-helix	trans	-63.8	-40.6	174.6	-72.2	174.2	19	0	0	112.3	P405 I406 E412 K413 L462	P405-Q409 WeakPolarHBondContact O-CG 3.34Å; P405-Q409 PolarHBondContact O-N 3.35Å; I406-Q409 WeakPolarHBondContact O-CB 3.42Å; I406-Q409 PolarHBondContact O-N 3.39Å; Q409-E412 PolarHBondContact O-N 2.91Å; Q409-K413 PolarHBondContact O-N 2.98Å; Q409-L462 HydrophobicContact CB-CD1 4.26Å; Q409-L462 HydrophobicContact CB-CD2 4.3Å
410	L	98.3	Very high	96.7	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-60.6	-49.1	175.9	-178.6	68.5	0	0	0	110.9	L389 I406 Y407 E412 K413 Y414 I422 L462 F465 V466 L469	L389-L410 HydrophobicContact CD2-CD2 3.69Å; I406-L410 PolarHBondContact O-N 3.35Å; Y407-L410 HydrophobicContact CD2-CD2 4.31Å; Y407-L410 HydrophobicContact CE2-CD2 4.25Å; Y407-L410 WeakPolarHBondContact O-CB 3.39Å; Y407-L410 PolarHBondContact O-N 3.05Å; L410-E412 VanDerWaalsContact C-N 3.34Å; L410-E412 PolarHBondContact O-N 2.91Å; L410-K413 WeakPolarHBondContact O-CB 3.38Å; L410-K413 PolarHBondContact O-N 3.49Å; L410-Y414 HydrophobicContact CD1-CD2 3.95Å; L410-Y414 HydrophobicContact CD1-CE2 3.71Å; L410-Y414 HydrophobicContact CG-CD2 4.38Å; L410-Y414 WeakPolarHBondContact O-CD2 3.42Å; L410-Y414 PolarHBondContact O-N 2.96Å; L410-I422 HydrophobicContact CD2-CD1 4.1Å; L410-I422 HydrophobicContact CD2-CG2 4.46Å; L410-I422 HydrophobicContact CG-CD1 4.25Å; L410-I422 HydrophobicContact CG-CG1 4.44Å; L410-L462 HydrophobicContact CB-CD1 3.9Å; L410-L462 HydrophobicContact CD1-CD1 4.03Å; L410-F465 HydrophobicContact CD1-CB 3.67Å; L410-F465 HydrophobicContact CD2-CB 3.66Å; L410-F465 HydrophobicContact CD2-CD1 4.1Å; L410-F465 HydrophobicContact CD2-CD2 4.27Å; L410-F465 HydrophobicContact CD2-CG 3.76Å; L410-F465 HydrophobicContact CG-CB 4.26Å; L410-V466 HydrophobicContact CD1-CG2 4Å; L410-L469 HydrophobicContact CD1-CD1 4.01Å; L410-L469 HydrophobicContact CD2-CD1 4.28Å; L410-L469 HydrophobicContact CG-CD1 4.39Å
411	A	98.2	Very high	96.9	Very high	1 Å²	1	69.9 Å²	69.9	1%	0.008	35%	0.348	C	S	.	.	H	α-helix	trans	-64.3	-38.9	178.5	0	0	0	0	0	112.5	P368 V369 Y407 D408 K413 Y414 K415 I422	P368-A411 HydrophobicContact CB-CB 3.63Å; V369-A411 HydrophobicContact CB-CB 4.29Å; V369-A411 HydrophobicContact CG2-CB 3.36Å; Y407-A411 WeakPolarHBondContact O-CB 3.32Å; Y407-A411 PolarHBondContact O-N 3.15Å; D408-A411 PolarHBondContact O-N 3.16Å; A411-K413 VanDerWaalsContact C-N 3.29Å; A411-K413 PolarHBondContact O-N 3.17Å; A411-Y414 CarbonylContact O-C 3.59Å; A411-Y414 PolarHBondContact O-N 3.4Å; A411-K415 PolarHBondContact O-N 2.96Å; A411-I422 HydrophobicContact CB-CB 3.75Å; A411-I422 HydrophobicContact CB-CG1 4.17Å; A411-I422 HydrophobicContact CB-CG2 3.81Å
412	E	97.8	Very high	97	Very high	95 Å²	95	63.9 Å²	63.9	44%	0.444	32%	0.322	S	S	.	.	H	α-helix	trans	-62	-37.1	174.7	-175.9	62	-160.7	0	0	112	P368 D408 Q409 L410 K415	P368-E412 WeakPolarHBondContact CG-OE2 3.44Å; D408-E412 WeakPolarHBondContact O-CB 3.39Å; D408-E412 PolarHBondContact O-N 3.43Å; Q409-E412 PolarHBondContact O-N 2.91Å; L410-E412 VanDerWaalsContact C-N 3.34Å; L410-E412 PolarHBondContact O-N 2.91Å; E412-K415 WeakPolarHBondContact O-CD 3.28Å; E412-K415 WeakPolarHBondContact O-CG 3.48Å; E412-K415 WeakPolarHBondContact OE1-CD 3.43Å; E412-K415 WeakPolarHBondContact OE1-CE 3.17Å; E412-K415 IonicContact OE1-NZ 2.63Å; E412-K415 PolarHBondContact OE1-NZ 2.95Å
413	K	97.3	Very high	97.2	Very high	128 Å²	128	57.1 Å²	57.1	56%	0.557	29%	0.29	S	S	*	.	H	α-helix	trans	-63.9	-38.4	175.4	-176.2	-171.2	172.5	75.9	0	112.4	Q409 L410 A411 V466	Q409-K413 PolarHBondContact O-N 2.98Å; L410-K413 WeakPolarHBondContact O-CB 3.38Å; L410-K413 PolarHBondContact O-N 3.49Å; A411-K413 VanDerWaalsContact C-N 3.29Å; A411-K413 PolarHBondContact O-N 3.17Å; K413-V466 HydrophobicContact CD-CG2 3.54Å
414	Y	96.5	Very high	97.3	Very high	16 Å²	16	59.7 Å²	59.7	6%	0.063	30%	0.301	C	S	.	.	H	α-helix	trans	-99.2	5.5	-177	-71.3	-77.5	0	0	0	114.3	L410 A411 D416 N417 I420 V466 L469 D470	L410-Y414 HydrophobicContact CD1-CD2 3.95Å; L410-Y414 HydrophobicContact CD1-CE2 3.71Å; L410-Y414 HydrophobicContact CG-CD2 4.38Å; L410-Y414 WeakPolarHBondContact O-CD2 3.42Å; L410-Y414 PolarHBondContact O-N 2.96Å; A411-Y414 CarbonylContact O-C 3.59Å; A411-Y414 PolarHBondContact O-N 3.4Å; Y414-D416 PolarHBondContact O-N 2.92Å; Y414-D416 VanDerWaalsContact O-N 3.09Å; Y414-N417 HydrophobicContact CD1-CB 4.1Å; Y414-N417 VanDerWaalsContact O-CB 3.24Å; Y414-N417 WeakPolarHBondContact O-CB 3.4Å; Y414-N417 PolarHBondContact O-N 3.43Å; Y414-I420 HydrophobicContact CD1-CB 4.11Å; Y414-I420 HydrophobicContact CD1-CD1 3.5Å; Y414-I420 HydrophobicContact CD1-CG1 4.38Å; Y414-I420 HydrophobicContact CD1-CG2 4.06Å; Y414-I420 HydrophobicContact CD2-CG2 4.46Å; Y414-I420 HydrophobicContact CE1-CD1 3.37Å; Y414-I420 HydrophobicContact CG-CB 4.4Å; Y414-I420 HydrophobicContact CG-CD1 4.4Å; Y414-I420 HydrophobicContact CG-CG2 3.93Å; Y414-V466 HydrophobicContact CE2-CG2 4.25Å; Y414-L469 HydrophobicContact CD2-CD1 3.97Å; Y414-L469 HydrophobicContact CE2-CD1 3.54Å; Y414-D470 PolarHBondContact OH-OD1 3.41Å
415	K	95.4	Very high	97.3	Very high	106 Å²	106	58.1 Å²	58.1	46%	0.461	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-30.7	-174.3	74.6	-174.8	179.7	-180	0	115.1	P368 A411 E412	P368-K415 HydrophobicContact CB-CB 4.34Å; A411-K415 PolarHBondContact O-N 2.96Å; E412-K415 WeakPolarHBondContact O-CD 3.28Å; E412-K415 WeakPolarHBondContact O-CG 3.48Å; E412-K415 WeakPolarHBondContact OE1-CD 3.43Å; E412-K415 WeakPolarHBondContact OE1-CE 3.17Å; E412-K415 IonicContact OE1-NZ 2.63Å; E412-K415 PolarHBondContact OE1-NZ 2.95Å
416	D	94.5	Very high	97.2	Very high	140 Å²	140	55.4 Å²	55.4	75%	0.749	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	0.9	-179.5	-60.5	-48.4	0	0	0	112	Y414	Y414-D416 PolarHBondContact O-N 2.92Å; Y414-D416 VanDerWaalsContact O-N 3.09Å
417	N	95.3	Very high	96.9	Very high	70 Å²	70	53.9 Å²	53.9	37%	0.374	26%	0.263	S	S	.	.			trans	-77.6	125.1	176.1	-171.1	-59.5	0	0	0	109.4	Y414 D419 I420	Y414-N417 HydrophobicContact CD1-CB 4.1Å; Y414-N417 VanDerWaalsContact O-CB 3.24Å; Y414-N417 WeakPolarHBondContact O-CB 3.4Å; Y414-N417 PolarHBondContact O-N 3.43Å; N417-D419 VanDerWaalsContact C-N 3.29Å; N417-D419 PolarHBondContact O-N 3.42Å; N417-D419 WeakPolarHBondContact OD1-CA 3.42Å; N417-D419 PolarHBondContact OD1-N 2.95Å; N417-I420 HydrophobicContact CB-CB 4.34Å; N417-I420 PolarHBondContact OD1-N 3.47Å
418	E	93.9	Very high	96.4	Very high	167 Å²	167	55.3 Å²	55.3	78%	0.78	27%	0.272	S	S	*	.	S	Bend	trans	-72.3	-22	-177.3	-64.7	-172.2	171.1	0	0	113.2	K386	K386-E418 WeakPolarHBondContact CD-O 3.42Å; K386-E418 PolarHBondContact NZ-O 3.42Å
419	D	95.8	Very high	96	Very high	67 Å²	67	52.5 Å²	52.5	36%	0.358	26%	0.261	S	S	.	.	S	Bend	trans	-103	-27.5	-172.6	-75.2	-20.7	0	0	0	113.5	K386 S387 N417 K448	K386-D419 CarbonylContact C-O 3.41Å; K386-D419 VanDerWaalsContact CA-O 3.27Å; K386-D419 WeakPolarHBondContact CA-O 3.42Å; S387-D419 PolarHBondContact N-O 2.79Å; N417-D419 VanDerWaalsContact C-N 3.29Å; N417-D419 PolarHBondContact O-N 3.42Å; N417-D419 WeakPolarHBondContact OD1-CA 3.42Å; N417-D419 PolarHBondContact OD1-N 2.95Å; D419-K448 IonicContact OD1-NZ 2.72Å; D419-K448 PolarHBondContact OD1-NZ 3.03Å; D419-K448 IonicContact OD2-NZ 3Å; D419-K448 PolarHBondContact OD2-NZ 2.82Å
420	I	97.7	Very high	95.8	Very high	24 Å²	24	47.4 Å²	47.4	12%	0.123	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.7	-173.1	-65.5	171.7	0	0	0	111.1	S387 Y414 N417 I422 L469	S387-I420 WeakPolarHBondContact O-CA 3.33Å; Y414-I420 HydrophobicContact CD1-CB 4.11Å; Y414-I420 HydrophobicContact CD1-CD1 3.5Å; Y414-I420 HydrophobicContact CD1-CG1 4.38Å; Y414-I420 HydrophobicContact CD1-CG2 4.06Å; Y414-I420 HydrophobicContact CD2-CG2 4.46Å; Y414-I420 HydrophobicContact CE1-CD1 3.37Å; Y414-I420 HydrophobicContact CG-CB 4.4Å; Y414-I420 HydrophobicContact CG-CD1 4.4Å; Y414-I420 HydrophobicContact CG-CG2 3.93Å; N417-I420 HydrophobicContact CB-CB 4.34Å; N417-I420 PolarHBondContact OD1-N 3.47Å; I420-I422 HydrophobicContact CG2-CD1 3.8Å; I420-I422 HydrophobicContact CG2-CG1 4.4Å; I420-L469 HydrophobicContact CG2-CD1 4.29Å; I420-L469 HydrophobicContact CG2-CD2 4.45Å
421	V	98.1	Very high	95.5	Very high	29 Å²	29	49.5 Å²	49.5	18%	0.176	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.9	174.4	179.2	0	0	0	0	109.2	K370 V380 K386 S387 V388 L389	K370-V421 HydrophobicContact CG-CG1 3.89Å; V380-V421 HydrophobicContact CG1-CG1 4.23Å; K386-V421 HydrophobicContact CB-CG2 4.2Å; K386-V421 HydrophobicContact CD-CG2 4.35Å; K386-V421 HydrophobicContact CG-CG2 4.17Å; S387-V421 PolarHBondContact O-N 3.2Å; V388-V421 CarbonylContact C-O 3.58Å; V388-V421 WeakPolarHBondContact CA-O 3.44Å; V388-V421 HydrophobicContact CB-CB 4.45Å; V388-V421 HydrophobicContact CG1-CB 4.06Å; V388-V421 HydrophobicContact CG1-CG1 4.12Å; V388-V421 HydrophobicContact CG2-CB 4.12Å; L389-V421 PolarHBondContact N-O 3.44Å
422	I	98.6	Very high	95.2	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.026	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	125.1	173.8	-52.2	-55.7	0	0	0	108.1	V369 K370 L389 Y407 L410 A411 I420 L469	V369-I422 WeakPolarHBondContact CA-O 3.43Å; V369-I422 HydrophobicContact CG2-CG2 4.48Å; K370-I422 PolarHBondContact N-O 2.79Å; L389-I422 HydrophobicContact CB-CD1 3.87Å; L389-I422 HydrophobicContact CD2-CD1 4.21Å; Y407-I422 HydrophobicContact CD1-CG2 3.82Å; Y407-I422 HydrophobicContact CE1-CG2 3.28Å; Y407-I422 HydrophobicContact CE2-CG2 4.23Å; Y407-I422 HydrophobicContact CG-CG2 4.48Å; L410-I422 HydrophobicContact CD2-CD1 4.1Å; L410-I422 HydrophobicContact CD2-CG2 4.46Å; L410-I422 HydrophobicContact CG-CD1 4.25Å; L410-I422 HydrophobicContact CG-CG1 4.44Å; A411-I422 HydrophobicContact CB-CB 3.75Å; A411-I422 HydrophobicContact CB-CG1 4.17Å; A411-I422 HydrophobicContact CB-CG2 3.81Å; I420-I422 HydrophobicContact CG2-CD1 3.8Å; I420-I422 HydrophobicContact CG2-CG1 4.4Å; I422-L469 HydrophobicContact CD1-CD1 3.82Å
423	A	98.6	Very high	94.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	159.1	-171.4	0	0	0	0	0	112.3	K370 L372 V388 L389 V390 E391 Y407	K370-A423 HydrophobicContact CB-CB 4.02Å; K370-A423 CarbonylContact O-C 3.51Å; K370-A423 WeakPolarHBondContact O-CA 3.35Å; L372-A423 HydrophobicContact CD1-CB 3.85Å; L372-A423 HydrophobicContact CD2-CB 4.39Å; L372-A423 HydrophobicContact CG-CB 3.93Å; V388-A423 HydrophobicContact CG1-CB 4.45Å; L389-A423 PolarHBondContact O-N 2.87Å; V390-A423 CarbonylContact C-O 3.52Å; V390-A423 VanDerWaalsContact CA-O 3.28Å; V390-A423 WeakPolarHBondContact CA-O 3.37Å; V390-A423 HydrophobicContact CG2-CB 4.34Å; E391-A423 PolarHBondContact N-O 3.36Å; Y407-A423 VanDerWaalsContact CE1-O 3.27Å; Y407-A423 WeakPolarHBondContact CE1-O 3.44Å; Y407-A423 PolarHBondContact OH-O 2.77Å
424	K	98.4	Very high	94.2	Very high	56 Å²	56	50.9 Å²	50.9	24%	0.243	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	147.6	175.8	68.1	-176.6	173.2	-171.5	0	111.1	V369 K370 L372 E391 Y393	V369-K424 HydrophobicContact CG1-CB 4.05Å; V369-K424 HydrophobicContact CG1-CD 3.8Å; V369-K424 HydrophobicContact CG1-CG 3.75Å; K370-K424 PolarHBondContact O-N 3.46Å; L372-K424 PolarHBondContact N-O 2.97Å; E391-K424 HydrophobicContact CB-CB 4.22Å; E391-K424 CarbonylContact O-C 3.46Å; E391-K424 VanDerWaalsContact O-CA 3.26Å; E391-K424 WeakPolarHBondContact O-CA 3.34Å; Y393-K424 HydrophobicContact CD1-CB 4.09Å; Y393-K424 HydrophobicContact CE1-CB 3.96Å; Y393-K424 HydrophobicContact CE1-CD 4.02Å; Y393-K424 HydrophobicContact CE1-CG 3.93Å
425	M	97.8	Very high	93.8	Very high	2 Å²	2	51 Å²	51	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	126.5	177.9	-165.8	176	93.5	0	0	109.7	L372 F377 V390 E391 F392 Y393 S427 N430 L432	L372-M425 HydrophobicContact CB-CB 4.16Å; L372-M425 HydrophobicContact CB-CG 4.23Å; L372-M425 HydrophobicContact CB-SD 4.5Å; L372-M425 WeakPolarHBondContact O-CG 3.49Å; F377-M425 HydrophobicContact CD2-SD 3.64Å; F377-M425 HydrophobicContact CE2-SD 4.22Å; F377-M425 HydrophobicContact CG-SD 4.37Å; V390-M425 HydrophobicContact CG1-CB 4.33Å; E391-M425 PolarHBondContact O-N 2.85Å; F392-M425 WeakPolarHBondContact CA-O 3.28Å; F392-M425 HydrophobicContact CD1-CB 4.13Å; F392-M425 HydrophobicContact CD1-CE 3.6Å; F392-M425 HydrophobicContact CD1-SD 4.42Å; F392-M425 HydrophobicContact CE1-CB 4.33Å; F392-M425 HydrophobicContact CE1-CE 3.48Å; F392-M425 VanDerWaalsContact CE1-CE 3.48Å; F392-M425 HydrophobicContact CE1-SD 4Å; Y393-M425 VanDerWaalsContact CD1-C 3.47Å; Y393-M425 WeakPolarHBondContact CD1-O 3.39Å; Y393-M425 PolarHBondContact N-O 2.64Å; M425-S427 PolarHBondContact O-N 3.46Å; M425-S427 VanDerWaalsContact O-N 3.16Å; M425-N430 HydrophobicContact CE-CB 3.99Å; M425-N430 HydrophobicContact CG-CB 4.01Å; M425-N430 HydrophobicContact SD-CB 4.12Å; M425-L432 HydrophobicContact CE-CD1 3.69Å; M425-L432 HydrophobicContact CE-CG 3.81Å; M425-L432 HydrophobicContact SD-CD1 3.93Å; M425-L432 HydrophobicContact SD-CD2 4.4Å; M425-L432 HydrophobicContact SD-CG 4.22Å
426	D	95.2	Very high	93.4	Very high	16 Å²	16	50 Å²	50	9%	0.086	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	105.3	170.1	-176.6	-15.7	0	0	0	108.5	Y393 P395 T428 A429 N430	Y393-D426 HydrophobicContact CE1-CB 4.08Å; Y393-D426 VanDerWaalsContact CE1-N 3.34Å; Y393-D426 HydrophobicContact CE2-CB 4.31Å; P395-D426 WeakPolarHBondContact CD-OD1 3.46Å; P395-D426 WeakPolarHBondContact CD-OD2 3.39Å; P395-D426 WeakPolarHBondContact CG-OD2 3.35Å; D426-T428 PolarHBondContact O-N 3.24Å; D426-T428 WeakPolarHBondContact OD1-CA 3.48Å; D426-T428 WeakPolarHBondContact OD1-CB 3.02Å; D426-T428 PolarHBondContact OD1-N 3.21Å; D426-T428 PolarHBondContact OD1-OG1 3.42Å; D426-T428 PolarHBondContact OD2-OG1 3.21Å; D426-A429 HydrophobicContact CB-CB 4.43Å; D426-A429 PolarHBondContact O-N 3.39Å; D426-A429 PolarHBondContact OD1-N 2.98Å; D426-N430 WeakPolarHBondContact O-CB 3.26Å; D426-N430 PolarHBondContact O-N 3.23Å; D426-N430 PolarHBondContact O-ND2 3.43Å
427	S	92.9	Very high	93.1	Very high	14 Å²	14	45.2 Å²	45.2	10%	0.098	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-5.3	-179.4	-78.9	0	0	0	0	114	F392 Y393 M425 N430	F392-S427 WeakPolarHBondContact CB-OG 3.46Å; F392-S427 WeakPolarHBondContact CD1-OG 3.32Å; Y393-S427 PolarHBondContact O-N 2.94Å; M425-S427 PolarHBondContact O-N 3.46Å; M425-S427 VanDerWaalsContact O-N 3.16Å; S427-N430 WeakPolarHBondContact CA-O 3.27Å
428	T	86.7	Confident	92.5	Very high	33 Å²	33	47.3 Å²	47.3	20%	0.202	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-24.5	170.6	70.1	0	0	0	0	111.9	L356 A394 P395 W396 D426 F440	L356-T428 WeakPolarHBondContact CD1-O 3.43Å; A394-T428 HydrophobicContact CB-CG2 3.43Å; A394-T428 VanDerWaalsContact CB-CG2 3.43Å; P395-T428 WeakPolarHBondContact CD-OG1 3.31Å; W396-T428 HydrophobicContact CZ2-CG2 4.5Å; D426-T428 PolarHBondContact O-N 3.24Å; D426-T428 WeakPolarHBondContact OD1-CA 3.48Å; D426-T428 WeakPolarHBondContact OD1-CB 3.02Å; D426-T428 PolarHBondContact OD1-N 3.21Å; D426-T428 PolarHBondContact OD1-OG1 3.42Å; D426-T428 PolarHBondContact OD2-OG1 3.21Å; T428-F440 HydrophobicContact CG2-CE2 4.45Å
429	A	90.8	Very high	92.2	Very high	26 Å²	26	42.5 Å²	42.5	22%	0.215	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-10.8	178.2	0	0	0	0	0	113.8	L356 S357 Q358 D426	L356-A429 CarbonylContact C-O 3.57Å; S357-A429 CarbonylContact C-O 3.57Å; S357-A429 PolarHBondContact N-O 2.92Å; Q358-A429 HydrophobicContact CB-CB 4.43Å; Q358-A429 PolarHBondContact N-O 2.84Å; D426-A429 HydrophobicContact CB-CB 4.43Å; D426-A429 PolarHBondContact O-N 3.39Å; D426-A429 PolarHBondContact OD1-N 2.98Å
430	N	93.7	Very high	91.9	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	23%	0.234	C	C	.	.			trans	-138.8	129	-176.4	-56.7	-84.2	0	0	0	111.3	L356 Q358 V373 S374 M425 D426 S427	L356-N430 WeakPolarHBondContact O-CA 3.48Å; Q358-N430 VanDerWaalsContact CD-ND2 3.33Å; Q358-N430 WeakPolarHBondContact CG-OD1 3.24Å; Q358-N430 PolarHBondContact N-OD1 2.86Å; Q358-N430 VanDerWaalsContact N-OD1 3.09Å; Q358-N430 PolarHBondContact NE2-ND2 2.89Å; V373-N430 VanDerWaalsContact CA-OD1 3.32Å; V373-N430 WeakPolarHBondContact CA-OD1 3.35Å; V373-N430 VanDerWaalsContact CB-OD1 3.3Å; V373-N430 WeakPolarHBondContact CB-OD1 3.3Å; S374-N430 PolarHBondContact N-OD1 3.4Å; S374-N430 WeakPolarHBondContact OG-CB 3.21Å; M425-N430 HydrophobicContact CE-CB 3.99Å; M425-N430 HydrophobicContact CG-CB 4.01Å; M425-N430 HydrophobicContact SD-CB 4.12Å; D426-N430 WeakPolarHBondContact O-CB 3.26Å; D426-N430 PolarHBondContact O-N 3.23Å; D426-N430 PolarHBondContact O-ND2 3.43Å; S427-N430 WeakPolarHBondContact CA-O 3.27Å
431	E	92.3	Very high	91.8	Very high	43 Å²	43	40.7 Å²	40.7	20%	0.201	23%	0.229	C	C	.	.			trans	-124.6	146.7	176.2	-65.3	175.8	132.3	0	0	110.6	K326 L355 L356 S374	K326-E431 WeakPolarHBondContact CE-OE1 3.41Å; K326-E431 IonicContact NZ-OE1 2.83Å; K326-E431 PolarHBondContact NZ-OE1 2.9Å; K326-E431 IonicContact NZ-OE2 2.75Å; L355-E431 HydrophobicContact CB-CB 4.06Å; L355-E431 HydrophobicContact CD2-CB 3.92Å; L356-E431 HydrophobicContact CB-CG 4.21Å; L356-E431 WeakPolarHBondContact CG-OE2 3.47Å; L356-E431 PolarHBondContact N-OE2 2.76Å; L356-E431 PolarHBondContact O-N 2.76Å; S374-E431 PolarHBondContact OG-N 2.83Å; S374-E431 PolarHBondContact OG-O 3Å
432	L	91.6	Very high	91.7	Very high	15 Å²	15	40.2 Å²	40.2	8%	0.079	23%	0.226	C	C	.	.			trans	-118.7	148.6	-177.2	-59.5	170.3	0	0	0	110.2	F377 F392 M425 I435 K436	F377-L432 HydrophobicContact CB-CD1 4.47Å; F377-L432 HydrophobicContact CB-CD2 3.74Å; F377-L432 HydrophobicContact CD1-CD1 3.51Å; F377-L432 HydrophobicContact CD1-CD2 3.83Å; F377-L432 HydrophobicContact CD1-CG 4.31Å; F377-L432 HydrophobicContact CD2-CD1 3.59Å; F377-L432 HydrophobicContact CD2-CD2 4.38Å; F377-L432 HydrophobicContact CE1-CD1 3.49Å; F377-L432 VanDerWaalsContact CE1-CD1 3.49Å; F377-L432 HydrophobicContact CE2-CD1 3.55Å; F377-L432 HydrophobicContact CG-CD1 3.56Å; F377-L432 HydrophobicContact CG-CD2 3.7Å; F377-L432 HydrophobicContact CG-CG 4.29Å; F377-L432 HydrophobicContact CZ-CD1 3.5Å; F377-L432 VanDerWaalsContact CZ-CD1 3.5Å; F392-L432 HydrophobicContact CE1-CD1 3.91Å; F392-L432 HydrophobicContact CZ-CD1 4.38Å; M425-L432 HydrophobicContact CE-CD1 3.69Å; M425-L432 HydrophobicContact CE-CG 3.81Å; M425-L432 HydrophobicContact SD-CD1 3.93Å; M425-L432 HydrophobicContact SD-CD2 4.4Å; M425-L432 HydrophobicContact SD-CG 4.22Å; L432-I435 HydrophobicContact CB-CB 4.19Å; L432-I435 HydrophobicContact CD1-CB 3.96Å; L432-I435 HydrophobicContact CD1-CG1 4.28Å; L432-K436 PolarHBondContact O-NZ 2.92Å
433	E	87.3	Confident	91.7	Very high	160 Å²	160	40.2 Å²	40.2	75%	0.748	23%	0.226	S	C	*	.	S	Bend	trans	-71.3	-44.9	177.2	-169.9	166.1	-159.7	0	0	110.8	L355 K436	L355-E433 HydrophobicContact CD1-CB 3.96Å; E433-K436 WeakPolarHBondContact O-CE 3.4Å
434	S	86.4	Confident	91.7	Very high	79 Å²	79	41.4 Å²	41.4	55%	0.552	23%	0.231	S	C	*	.	S	Bend	trans	-86.3	-18.3	-173.3	55.5	0	0	0	0	114.9
435	I	89.8	Confident	91.6	Very high	18 Å²	18	38.9 Å²	38.9	9%	0.092	22%	0.22	C	C	.	.			trans	-124.7	116.2	-176.2	-57.1	-64.9	0	0	0	109.5	F377 F392 L432 I437 K444 F446 V453	F377-I435 HydrophobicContact CE1-CG1 4.31Å; F377-I435 HydrophobicContact CZ-CG1 4.31Å; F392-I435 HydrophobicContact CE1-CG2 4.2Å; F392-I435 HydrophobicContact CE2-CG2 4.25Å; F392-I435 HydrophobicContact CZ-CG2 3.81Å; L432-I435 HydrophobicContact CB-CB 4.19Å; L432-I435 HydrophobicContact CD1-CB 3.96Å; L432-I435 HydrophobicContact CD1-CG1 4.28Å; I435-I437 HydrophobicContact CG2-CD1 3.68Å; I435-I437 HydrophobicContact CG2-CG1 4.24Å; I435-K444 HydrophobicContact CD1-CD 4.43Å; I435-K444 HydrophobicContact CG2-CD 3.8Å; I435-F446 HydrophobicContact CD1-CE1 3.97Å; I435-F446 HydrophobicContact CD1-CZ 4.06Å; I435-F446 HydrophobicContact CG1-CE1 4.38Å; I435-F446 HydrophobicContact CG1-CZ 4.25Å; I435-V453 HydrophobicContact CD1-CG1 4.26Å; I435-V453 HydrophobicContact CD1-CG2 4.17Å
436	K	85.6	Confident	91.6	Very high	84 Å²	84	38.8 Å²	38.8	37%	0.365	22%	0.219	S	C	.	.			trans	-102.8	129.5	176.8	-56	-56.5	-176.1	-177.3	0	109.8	D323 Q353 L432 E433	D323-K436 HydrophobicContact CB-CD 4.18Å; D323-K436 HydrophobicContact CB-CG 4.35Å; Q353-K436 VanDerWaalsContact OE1-NZ 3.1Å; L432-K436 PolarHBondContact O-NZ 2.92Å; E433-K436 WeakPolarHBondContact O-CE 3.4Å
437	I	88.9	Confident	91.7	Very high	40 Å²	40	39.4 Å²	39.4	21%	0.205	22%	0.221	C	C	.	.			trans	-117.8	116.9	-178.1	-53.5	-62.4	0	0	0	108.8	F392 I435 S439 F440 T442 K444	F392-I437 HydrophobicContact CB-CD1 3.76Å; F392-I437 HydrophobicContact CB-CG1 3.86Å; F392-I437 HydrophobicContact CB-CG2 4Å; F392-I437 HydrophobicContact CD1-CD1 3.81Å; F392-I437 HydrophobicContact CD1-CG1 3.72Å; F392-I437 HydrophobicContact CD2-CD1 3.56Å; F392-I437 HydrophobicContact CD2-CG1 4.36Å; F392-I437 HydrophobicContact CE1-CD1 4.27Å; F392-I437 HydrophobicContact CE1-CG1 4.34Å; F392-I437 HydrophobicContact CE2-CD1 4.06Å; F392-I437 HydrophobicContact CG-CD1 3.41Å; F392-I437 VanDerWaalsContact CG-CD1 3.41Å; F392-I437 HydrophobicContact CG-CG1 3.71Å; F392-I437 HydrophobicContact CZ-CD1 4.37Å; I435-I437 HydrophobicContact CG2-CD1 3.68Å; I435-I437 HydrophobicContact CG2-CG1 4.24Å; I437-S439 WeakPolarHBondContact CG2-O 3.39Å; I437-F440 HydrophobicContact CB-CE1 4.39Å; I437-F440 HydrophobicContact CG2-CD1 3.9Å; I437-F440 HydrophobicContact CG2-CE1 3.44Å; I437-F440 VanDerWaalsContact CG2-CE1 3.44Å; I437-F440 HydrophobicContact CG2-CZ 4.35Å; I437-T442 HydrophobicContact CD1-CG2 3.83Å; I437-K444 HydrophobicContact CD1-CD 4.4Å
438	S	83.1	Confident	91.9	Very high	114 Å²	114	41.2 Å²	41.2	80%	0.797	23%	0.227	S	C	*	.			trans	-107.4	-11.8	-176.9	56.5	0	0	0	0	113.8
439	S	87	Confident	92.3	Very high	67 Å²	67	46 Å²	46	47%	0.469	25%	0.247	S	C	.	.	S	Bend	trans	-148.9	160.4	179.6	71.3	0	0	0	0	111.7	I437 T442	I437-S439 WeakPolarHBondContact CG2-O 3.39Å; S439-T442 PolarHBondContact O-OG1 3.41Å
440	F	90.2	Very high	92.5	Very high	51 Å²	51	48.3 Å²	48.3	22%	0.224	26%	0.256	C	S	.	.	S	Bend	trans	-129.3	140.3	-176.6	-55.1	-59.2	0	0	0	112.4	A394 W396 C397 T428 I437	A394-F440 HydrophobicContact CB-CB 4.29Å; A394-F440 HydrophobicContact CB-CD1 4.38Å; A394-F440 HydrophobicContact CB-CD2 3.49Å; A394-F440 VanDerWaalsContact CB-CD2 3.49Å; A394-F440 HydrophobicContact CB-CE2 3.84Å; A394-F440 HydrophobicContact CB-CG 3.79Å; A394-F440 HydrophobicContact CB-CZ 4.44Å; W396-F440 HydrophobicContact CH2-CD2 4.15Å; W396-F440 HydrophobicContact CH2-CE2 4.43Å; W396-F440 HydrophobicContact CZ2-CD2 4.4Å; W396-F440 HydrophobicContact CZ2-CE2 4.35Å; C397-F440 HydrophobicContact CB-CB 4.13Å; C397-F440 PolarHBondContact SG-O 3.03Å; C397-F440 VanDerWaalsContact SG-O 3.38Å; T428-F440 HydrophobicContact CG2-CE2 4.45Å; I437-F440 HydrophobicContact CB-CE1 4.39Å; I437-F440 HydrophobicContact CG2-CD1 3.9Å; I437-F440 HydrophobicContact CG2-CE1 3.44Å; I437-F440 VanDerWaalsContact CG2-CE1 3.44Å; I437-F440 HydrophobicContact CG2-CZ 4.35Å
441	P	95.4	Very high	92.5	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.006	26%	0.264	C	S	.	.	S	Bend	cis	-70	143.1	-15.3	27.7	-30.7	0	0	0	110.5	E391 F392 C400 L403 I443 R460	E391-P441 HydrophobicContact CG-CB 4.04Å; F392-P441 VanDerWaalsContact O-CA 3.32Å; F392-P441 WeakPolarHBondContact O-CA 3.21Å; C400-P441 VanDerWaalsContact SG-CB 3.59Å; C400-P441 VanDerWaalsContact SG-CD 3.53Å; C400-P441 VanDerWaalsContact SG-N 3.45Å; L403-P441 HydrophobicContact CD2-CB 4.06Å; L403-P441 HydrophobicContact CD2-CG 3.83Å; P441-I443 HydrophobicContact CB-CD1 3.98Å; P441-I443 HydrophobicContact CG-CD1 4.21Å; P441-R460 VanDerWaalsContact CD-NH1 3.28Å; P441-R460 VanDerWaalsContact CG-CZ 3.49Å; P441-R460 VanDerWaalsContact CG-NH1 3.3Å; P441-R460 PolarHBondContact O-NH2 3.03Å
442	T	96.1	Very high	92.7	Very high	20 Å²	20	53 Å²	53	12%	0.123	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130.1	162.6	-70	0	0	0	0	106.9	F392 I437 S439 K444	F392-T442 WeakPolarHBondContact CA-O 3.48Å; F392-T442 WeakPolarHBondContact CB-O 3.35Å; F392-T442 PolarHBondContact N-O 3.38Å; F392-T442 PolarHBondContact O-N 2.83Å; I437-T442 HydrophobicContact CD1-CG2 3.83Å; S439-T442 PolarHBondContact O-OG1 3.41Å; T442-K444 HydrophobicContact CG2-CG 4.11Å
443	I	97.9	Very high	92.9	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.026	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124	179.7	-59.1	91.4	0	0	0	108.3	L389 V390 E391 L403 P441 F456 F465	L389-I443 HydrophobicContact CD1-CG2 3.61Å; L389-I443 HydrophobicContact CD2-CG2 4.3Å; L389-I443 HydrophobicContact CG-CG2 3.83Å; V390-I443 WeakPolarHBondContact O-CA 3.46Å; E391-I443 HydrophobicContact CB-CG1 4.44Å; E391-I443 HydrophobicContact CG-CG1 4.31Å; L403-I443 HydrophobicContact CD2-CD1 3.96Å; L403-I443 HydrophobicContact CD2-CG1 4.32Å; P441-I443 HydrophobicContact CB-CD1 3.98Å; P441-I443 HydrophobicContact CG-CD1 4.21Å; I443-F456 HydrophobicContact CB-CB 3.93Å; I443-F456 HydrophobicContact CG2-CB 3.88Å; I443-F456 HydrophobicContact CG2-CG 4.42Å; I443-F456 PolarHBondContact O-N 3.25Å; I443-F465 HydrophobicContact CG2-CE1 4.2Å
444	K	97.7	Very high	93.3	Very high	25 Å²	25	48.6 Å²	48.6	11%	0.109	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	140.6	177.5	-59.2	-177.8	173.6	-69.7	0	110.7	V390 F392 I435 I437 T442 F446 V453 I454 D455	V390-K444 PolarHBondContact N-O 2.82Å; V390-K444 PolarHBondContact O-N 2.85Å; F392-K444 HydrophobicContact CD2-CD 4.48Å; F392-K444 HydrophobicContact CD2-CG 4.33Å; F392-K444 HydrophobicContact CE2-CB 3.98Å; F392-K444 HydrophobicContact CE2-CD 3.95Å; F392-K444 HydrophobicContact CE2-CG 4Å; I435-K444 HydrophobicContact CD1-CD 4.43Å; I435-K444 HydrophobicContact CG2-CD 3.8Å; I437-K444 HydrophobicContact CD1-CD 4.4Å; T442-K444 HydrophobicContact CG2-CG 4.11Å; K444-F446 HydrophobicContact CB-CE2 3.99Å; K444-F446 HydrophobicContact CB-CZ 4.25Å; K444-V453 HydrophobicContact CB-CG1 4.06Å; K444-V453 HydrophobicContact CD-CG1 3.82Å; K444-V453 HydrophobicContact CG-CG1 4.28Å; K444-I454 WeakPolarHBondContact CA-O 3.23Å; K444-D455 WeakPolarHBondContact CG-OD1 3.46Å; K444-D455 IonicContact NZ-OD1 3.38Å; K444-D455 PolarHBondContact NZ-OD1 2.61Å; K444-D455 IonicContact NZ-OD2 3.86Å
445	Y	98	Very high	93.7	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.008	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.1	174.5	176.2	-109.8	0	0	0	110.4	S387 V388 L389 R447 K452 V453 I454 F468 L469 N472	S387-Y445 WeakPolarHBondContact CB-OH 3.47Å; S387-Y445 PolarHBondContact OG-OH 2.8Å; V388-Y445 CarbonylContact O-C 3.54Å; V388-Y445 WeakPolarHBondContact O-CA 3.44Å; L389-Y445 HydrophobicContact CD1-CD2 4.24Å; Y445-R447 HydrophobicContact CD1-CB 4.21Å; Y445-R447 HydrophobicContact CE1-CB 3.69Å; Y445-R447 HydrophobicContact CE1-CG 3.99Å; Y445-K452 VanDerWaalsContact O-O 3.14Å; Y445-V453 CarbonylContact O-C 3.58Å; Y445-V453 WeakPolarHBondContact O-CA 3.47Å; Y445-I454 HydrophobicContact CD1-CB 4.38Å; Y445-I454 HydrophobicContact CD1-CD1 4.11Å; Y445-I454 HydrophobicContact CD1-CG1 4.47Å; Y445-I454 PolarHBondContact N-O 3.15Å; Y445-I454 PolarHBondContact O-N 3.42Å; Y445-F468 HydrophobicContact CD1-CE1 4.32Å; Y445-F468 AromaticContact CG-CE1 3.94Å; Y445-F468 HydrophobicContact CG-CE1 3.94Å; Y445-L469 HydrophobicContact CD2-CD2 3.95Å; Y445-L469 HydrophobicContact CE2-CD2 3.78Å; Y445-N472 WeakPolarHBondContact CE1-O 3.28Å; Y445-N472 PolarHBondContact OH-OD1 3.17Å
446	F	97.7	Very high	93.9	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	105.6	176	-60.1	-94.2	0	0	0	107.2	F377 A381 L382 V388 V390 F392 I435 K444 V453	F377-F446 HydrophobicContact CE1-CE1 4.42Å; F377-F446 HydrophobicContact CE1-CZ 4.27Å; F377-F446 HydrophobicContact CE2-CZ 4.5Å; F377-F446 HydrophobicContact CZ-CE1 4.12Å; F377-F446 AromaticContact CZ-CE2 3.99Å; F377-F446 HydrophobicContact CZ-CE2 3.99Å; F377-F446 AromaticContact CZ-CZ 3.54Å; F377-F446 HydrophobicContact CZ-CZ 3.54Å; A381-F446 HydrophobicContact CB-CD2 4.1Å; A381-F446 HydrophobicContact CB-CE2 4.27Å; A381-F446 HydrophobicContact CB-CG 4.32Å; A381-F446 WeakPolarHBondContact O-CB 3.37Å; A381-F446 WeakPolarHBondContact O-CG 3.41Å; L382-F446 HydrophobicContact CD2-CD1 3.45Å; L382-F446 VanDerWaalsContact CD2-CD1 3.45Å; L382-F446 HydrophobicContact CD2-CE1 3.78Å; L382-F446 HydrophobicContact CD2-CG 4.4Å; V388-F446 HydrophobicContact CB-CB 4.28Å; V388-F446 PolarHBondContact N-O 3.21Å; V388-F446 PolarHBondContact O-N 2.97Å; V390-F446 HydrophobicContact CB-CE2 4.1Å; V390-F446 HydrophobicContact CG2-CD2 3.87Å; V390-F446 HydrophobicContact CG2-CE2 3.67Å; F392-F446 HydrophobicContact CZ-CZ 4.45Å; I435-F446 HydrophobicContact CD1-CE1 3.97Å; I435-F446 HydrophobicContact CD1-CZ 4.06Å; I435-F446 HydrophobicContact CG1-CE1 4.38Å; I435-F446 HydrophobicContact CG1-CZ 4.25Å; K444-F446 HydrophobicContact CB-CE2 3.99Å; K444-F446 HydrophobicContact CB-CZ 4.25Å; F446-V453 HydrophobicContact CD1-CG2 3.89Å; F446-V453 HydrophobicContact CE1-CG1 4.29Å; F446-V453 HydrophobicContact CE1-CG2 3.68Å; F446-V453 HydrophobicContact CZ-CG1 4.44Å
447	R	97.3	Very high	94.2	Very high	30 Å²	30	49.9 Å²	49.9	11%	0.113	27%	0.265	C	S	.	.			trans	-73.8	136.8	-171.9	-175.9	162.5	71	171.4	11	111.8	Y445 D450 N451 K452 N472 E474	Y445-R447 HydrophobicContact CD1-CB 4.21Å; Y445-R447 HydrophobicContact CE1-CB 3.69Å; Y445-R447 HydrophobicContact CE1-CG 3.99Å; R447-D450 WeakPolarHBondContact CB-OD1 3.42Å; R447-D450 IonicContact CZ-OD2 3.56Å; R447-D450 IonicContact NE-OD1 2.77Å; R447-D450 PolarHBondContact NE-OD1 2.9Å; R447-D450 IonicContact NE-OD2 2.67Å; R447-D450 PolarHBondContact NE-OD2 3.09Å; R447-D450 IonicContact NH2-OD2 3.66Å; R447-D450 PolarHBondContact NH2-OD2 3.37Å; R447-N451 VanDerWaalsContact O-CA 3.24Å; R447-N451 WeakPolarHBondContact O-CA 3.43Å; R447-N451 PolarHBondContact O-N 3.17Å; R447-K452 HydrophobicContact CB-CB 4.32Å; R447-K452 PolarHBondContact N-O 3.08Å; R447-N472 WeakPolarHBondContact CD-ND2 3.3Å; R447-N472 WeakPolarHBondContact CG-OD1 3.14Å; R447-E474 IonicContact CZ-OE1 2.76Å; R447-E474 IonicContact NH1-OE1 3.2Å; R447-E474 PolarHBondContact NH1-OE1 3.37Å
448	K	95.9	Very high	94.3	Very high	51 Å²	51	49.6 Å²	49.6	22%	0.222	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	149.8	171.7	-170.1	174.7	171.5	167.2	0	111.6	K384 S385 K386 S387 D419 D450	K384-K448 VanDerWaalsContact O-CG 3.3Å; K384-K448 WeakPolarHBondContact O-CG 3.43Å; S385-K448 WeakPolarHBondContact O-CD 3.15Å; S385-K448 WeakPolarHBondContact O-CE 3.25Å; S385-K448 PolarHBondContact O-NZ 3.05Å; K386-K448 WeakPolarHBondContact O-CA 3.32Å; K386-K448 WeakPolarHBondContact O-CB 3.39Å; K386-K448 PolarHBondContact O-N 3.4Å; S387-K448 WeakPolarHBondContact OG-CB 3.43Å; D419-K448 IonicContact OD1-NZ 2.72Å; D419-K448 PolarHBondContact OD1-NZ 3.03Å; D419-K448 IonicContact OD2-NZ 3Å; D419-K448 PolarHBondContact OD2-NZ 2.82Å; K448-D450 PolarHBondContact O-N 3.41Å
449	E	94.7	Very high	94.7	Very high	133 Å²	133	49.8 Å²	49.8	62%	0.621	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	-45.3	-177.5	-51.3	-57.7	144.6	0	0	116	K384	K384-E449 WeakPolarHBondContact CD-O 3.44Å; K384-E449 WeakPolarHBondContact O-CA 3.47Å; K384-E449 PolarHBondContact O-N 3.31Å
450	D	95	Very high	95	Very high	76 Å²	76	51.3 Å²	51.3	41%	0.406	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-11.4	-171.7	69.4	8.7	0	0	0	115.5	R447 K448 K452	R447-D450 WeakPolarHBondContact CB-OD1 3.42Å; R447-D450 IonicContact CZ-OD2 3.56Å; R447-D450 IonicContact NE-OD1 2.77Å; R447-D450 PolarHBondContact NE-OD1 2.9Å; R447-D450 IonicContact NE-OD2 2.67Å; R447-D450 PolarHBondContact NE-OD2 3.09Å; R447-D450 IonicContact NH2-OD2 3.66Å; R447-D450 PolarHBondContact NH2-OD2 3.37Å; K448-D450 PolarHBondContact O-N 3.41Å; D450-K452 PolarHBondContact O-N 3.04Å; D450-K452 VanDerWaalsContact OD1-CB 3.25Å; D450-K452 WeakPolarHBondContact OD1-CB 3.44Å; D450-K452 PolarHBondContact OD1-N 3Å
451	N	95.2	Very high	95.3	Very high	32 Å²	32	51.6 Å²	51.6	17%	0.171	26%	0.257	C	S	.	.			trans	51.7	28	-172.2	-68.2	-19.7	0	0	0	113	L382 K384 R447 V453	L382-N451 PolarHBondContact O-ND2 3.41Å; L382-N451 PolarHBondContact O-OD1 3.39Å; K384-N451 VanDerWaalsContact CG-ND2 3.35Å; K384-N451 WeakPolarHBondContact CG-ND2 3.37Å; R447-N451 VanDerWaalsContact O-CA 3.24Å; R447-N451 WeakPolarHBondContact O-CA 3.43Å; R447-N451 PolarHBondContact O-N 3.17Å; N451-V453 PolarHBondContact O-N 2.73Å
452	K	95.7	Very high	95.4	Very high	110 Å²	110	53.9 Å²	53.9	48%	0.478	27%	0.269	S	S	.	.			trans	-59.7	125.2	172.5	-175	-177.3	177.8	-169.5	0	108	Y445 R447 D450 I454	Y445-K452 VanDerWaalsContact O-O 3.14Å; R447-K452 HydrophobicContact CB-CB 4.32Å; R447-K452 PolarHBondContact N-O 3.08Å; D450-K452 PolarHBondContact O-N 3.04Å; D450-K452 VanDerWaalsContact OD1-CB 3.25Å; D450-K452 WeakPolarHBondContact OD1-CB 3.44Å; D450-K452 PolarHBondContact OD1-N 3Å; K452-I454 HydrophobicContact CD-CD1 4.29Å; K452-I454 HydrophobicContact CD-CG1 4.22Å; K452-I454 HydrophobicContact CG-CG1 4.11Å
453	V	96	Very high	95.4	Very high	60 Å²	60	58.1 Å²	58.1	36%	0.364	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	122.9	175.9	-172.5	0	0	0	0	108.3	I435 K444 Y445 F446 N451	I435-V453 HydrophobicContact CD1-CG1 4.26Å; I435-V453 HydrophobicContact CD1-CG2 4.17Å; K444-V453 HydrophobicContact CB-CG1 4.06Å; K444-V453 HydrophobicContact CD-CG1 3.82Å; K444-V453 HydrophobicContact CG-CG1 4.28Å; Y445-V453 CarbonylContact O-C 3.58Å; Y445-V453 WeakPolarHBondContact O-CA 3.47Å; F446-V453 HydrophobicContact CD1-CG2 3.89Å; F446-V453 HydrophobicContact CE1-CG1 4.29Å; F446-V453 HydrophobicContact CE1-CG2 3.68Å; F446-V453 HydrophobicContact CZ-CG1 4.44Å; N451-V453 PolarHBondContact O-N 2.73Å
454	I	95.7	Very high	95.4	Very high	23 Å²	23	59 Å²	59	12%	0.118	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126	-179.4	-52.9	178.9	0	0	0	107.9	K444 Y445 K452 F468	K444-I454 WeakPolarHBondContact CA-O 3.23Å; Y445-I454 HydrophobicContact CD1-CB 4.38Å; Y445-I454 HydrophobicContact CD1-CD1 4.11Å; Y445-I454 HydrophobicContact CD1-CG1 4.47Å; Y445-I454 PolarHBondContact N-O 3.15Å; Y445-I454 PolarHBondContact O-N 3.42Å; K452-I454 HydrophobicContact CD-CD1 4.29Å; K452-I454 HydrophobicContact CD-CG1 4.22Å; K452-I454 HydrophobicContact CG-CG1 4.11Å; I454-F468 HydrophobicContact CB-CZ 4.38Å; I454-F468 HydrophobicContact CG2-CE2 4.18Å; I454-F468 HydrophobicContact CG2-CZ 3.83Å
455	D	94.9	Very high	95.4	Very high	73 Å²	73	57.9 Å²	57.9	39%	0.39	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	135.2	174.1	-73.2	-53.4	0	0	0	110.5	K444	K444-D455 WeakPolarHBondContact CG-OD1 3.46Å; K444-D455 IonicContact NZ-OD1 3.38Å; K444-D455 PolarHBondContact NZ-OD1 2.61Å; K444-D455 IonicContact NZ-OD2 3.86Å
456	F	94.6	Very high	95.3	Very high	12 Å²	12	58.7 Å²	58.7	5%	0.053	30%	0.296	C	S	.	.			trans	-85.7	110.9	170.4	177.3	-88.6	0	0	0	109.3	I443 L458 D459 R460 D464 F465 F468	I443-F456 HydrophobicContact CB-CB 3.93Å; I443-F456 HydrophobicContact CG2-CB 3.88Å; I443-F456 HydrophobicContact CG2-CG 4.42Å; I443-F456 PolarHBondContact O-N 3.25Å; F456-L458 HydrophobicContact CE1-CB 4.2Å; F456-L458 WeakPolarHBondContact CE1-O 3.24Å; F456-L458 HydrophobicContact CE2-CB 3.96Å; F456-L458 HydrophobicContact CE2-CD1 4.23Å; F456-L458 HydrophobicContact CE2-CG 4.31Å; F456-L458 HydrophobicContact CZ-CB 3.69Å; F456-D459 WeakPolarHBondContact CZ-O 3.41Å; F456-R460 HydrophobicContact CE1-CG 4.3Å; F456-D464 HydrophobicContact CZ-CB 4.41Å; F456-F465 HydrophobicContact CD1-CD1 4.37Å; F456-F465 AromaticContact CD1-CE1 3.65Å; F456-F465 HydrophobicContact CD1-CE1 3.65Å; F456-F465 HydrophobicContact CD1-CZ 4.16Å; F456-F465 AromaticContact CD2-CD1 3.91Å; F456-F465 HydrophobicContact CD2-CD1 3.91Å; F456-F465 AromaticContact CD2-CE1 3.96Å; F456-F465 HydrophobicContact CD2-CE1 3.96Å; F456-F465 HydrophobicContact CE1-CD1 4.02Å; F456-F465 AromaticContact CE1-CE1 3.48Å; F456-F465 HydrophobicContact CE1-CE1 3.48Å; F456-F465 VanDerWaalsContact CE1-CE1 3.48Å; F456-F465 HydrophobicContact CE1-CE2 4.49Å; F456-F465 AromaticContact CE1-CZ 3.75Å; F456-F465 HydrophobicContact CE1-CZ 3.75Å; F456-F465 AromaticContact CE2-CD1 3.51Å; F456-F465 HydrophobicContact CE2-CD1 3.51Å; F456-F465 AromaticContact CE2-CE1 3.79Å; F456-F465 HydrophobicContact CE2-CE1 3.79Å; F456-F465 HydrophobicContact CE2-CG 4.21Å; F456-F465 HydrophobicContact CG-CD1 4.32Å; F456-F465 AromaticContact CG-CE1 3.88Å; F456-F465 HydrophobicContact CG-CE1 3.88Å; F456-F465 AromaticContact CZ-CD1 3.56Å; F456-F465 HydrophobicContact CZ-CD1 3.56Å; F456-F465 AromaticContact CZ-CE1 3.54Å; F456-F465 HydrophobicContact CZ-CE1 3.54Å; F456-F465 HydrophobicContact CZ-CE2 4.49Å; F456-F465 HydrophobicContact CZ-CG 4.05Å; F456-F465 HydrophobicContact CZ-CZ 4.04Å; F456-F468 HydrophobicContact CB-CZ 4.43Å; F456-F468 HydrophobicContact CD2-CB 3.95Å; F456-F468 AromaticContact CD2-CD1 3.74Å; F456-F468 HydrophobicContact CD2-CD1 3.74Å; F456-F468 AromaticContact CD2-CD2 3.89Å; F456-F468 HydrophobicContact CD2-CD2 3.89Å; F456-F468 HydrophobicContact CD2-CE1 4.15Å; F456-F468 HydrophobicContact CD2-CE2 4.29Å; F456-F468 AromaticContact CD2-CG 3.59Å; F456-F468 HydrophobicContact CD2-CG 3.59Å; F456-F468 HydrophobicContact CD2-CZ 4.4Å; F456-F468 HydrophobicContact CE2-CB 3.77Å; F456-F468 HydrophobicContact CE2-CD1 4.37Å; F456-F468 HydrophobicContact CE2-CD2 4.39Å; F456-F468 AromaticContact CE2-CG 3.95Å; F456-F468 HydrophobicContact CE2-CG 3.95Å
457	N	91.6	Very high	95.2	Very high	122 Å²	122	64.4 Å²	64.4	65%	0.652	32%	0.321	S	S	*	.			trans	-114.7	6.5	-176.3	-63.8	-34.1	0	0	0	113.8
458	L	89.9	Confident	95.2	Very high	34 Å²	34	63.4 Å²	63.4	18%	0.178	32%	0.317	C	S	.	.	S	Bend	trans	-80.8	175.9	176	-53.9	179.3	0	0	0	111.4	F456 D464 F468 V475	F456-L458 HydrophobicContact CE1-CB 4.2Å; F456-L458 WeakPolarHBondContact CE1-O 3.24Å; F456-L458 HydrophobicContact CE2-CB 3.96Å; F456-L458 HydrophobicContact CE2-CD1 4.23Å; F456-L458 HydrophobicContact CE2-CG 4.31Å; F456-L458 HydrophobicContact CZ-CB 3.69Å; L458-D464 HydrophobicContact CB-CB 4.09Å; L458-D464 HydrophobicContact CD1-CB 4.23Å; L458-F468 HydrophobicContact CD1-CB 4.17Å; L458-F468 HydrophobicContact CD1-CD2 4.39Å; L458-V475 HydrophobicContact CD1-CB 4.28Å; L458-V475 HydrophobicContact CD1-CG1 4.07Å; L458-V475 HydrophobicContact CD1-CG2 4.16Å; L458-V475 HydrophobicContact CD2-CG1 4.21Å
459	D	92.3	Very high	95.2	Very high	119 Å²	119	61.3 Å²	61.3	64%	0.636	31%	0.309	S	S	*	.			trans	-58.3	142.2	170.3	-69.5	-38	0	0	0	111.3	F456 T461 D464	F456-D459 WeakPolarHBondContact CZ-O 3.41Å; D459-T461 HydrophobicContact CB-CG2 4.09Å; D459-T461 PolarHBondContact O-N 3.23Å; D459-D464 WeakPolarHBondContact O-CB 3.27Å
460	R	93.9	Very high	95	Very high	98 Å²	98	60.4 Å²	60.4	37%	0.37	31%	0.308	S	S	.	.	S	Bend	trans	-82.9	45.6	-175.3	-66.3	175.3	-176.1	166.5	-3.6	112.1	L403 I406 P441 F456 F465	L403-R460 HydrophobicContact CD1-CB 4.25Å; I406-R460 WeakPolarHBondContact CD1-O 3.35Å; P441-R460 VanDerWaalsContact CD-NH1 3.28Å; P441-R460 VanDerWaalsContact CG-CZ 3.49Å; P441-R460 VanDerWaalsContact CG-NH1 3.3Å; P441-R460 PolarHBondContact O-NH2 3.03Å; F456-R460 HydrophobicContact CE1-CG 4.3Å; R460-F465 HydrophobicContact CB-CE2 4.42Å
461	T	96.3	Very high	95	Very high	58 Å²	58	58.6 Å²	58.6	36%	0.356	30%	0.303	S	S	.	.	S	Bend	trans	-96.6	157.4	175.9	79.9	0	0	0	0	110.5	D459 D463 D464 F465	D459-T461 HydrophobicContact CB-CG2 4.09Å; D459-T461 PolarHBondContact O-N 3.23Å; T461-D463 PolarHBondContact O-N 3.09Å; T461-D463 PolarHBondContact OG1-N 3.42Å; T461-D464 PolarHBondContact O-N 3Å; T461-D464 PolarHBondContact OG1-N 3.42Å; T461-D464 PolarHBondContact OG1-OD2 2.67Å; T461-F465 WeakPolarHBondContact O-CD2 3.31Å; T461-F465 PolarHBondContact O-N 3.33Å
462	L	97.2	Very high	94.8	Very high	48 Å²	48	60 Å²	60	25%	0.251	31%	0.311	S	S	.	.	H	α-helix	trans	-57.3	-41.5	175.1	179.6	61.6	0	0	0	111.5	I406 Q409 L410 F465 V466	I406-L462 HydrophobicContact CG2-CB 4.17Å; Q409-L462 HydrophobicContact CB-CD1 4.26Å; Q409-L462 HydrophobicContact CB-CD2 4.3Å; L410-L462 HydrophobicContact CB-CD1 3.9Å; L410-L462 HydrophobicContact CD1-CD1 4.03Å; L462-F465 PolarHBondContact O-N 3.41Å; L462-V466 HydrophobicContact CD1-CG2 4.4Å; L462-V466 VanDerWaalsContact O-CG2 3.27Å; L462-V466 WeakPolarHBondContact O-CG2 3.38Å; L462-V466 PolarHBondContact O-N 2.94Å
463	D	96.6	Very high	94.5	Very high	110 Å²	110	55.1 Å²	55.1	59%	0.588	29%	0.292	S	S	*	.	H	α-helix	trans	-66.8	-39.4	-176.2	-74.6	-14	0	0	0	112	T461 V466 K467	T461-D463 PolarHBondContact O-N 3.09Å; T461-D463 PolarHBondContact OG1-N 3.42Å; D463-V466 PolarHBondContact O-N 2.79Å; D463-K467 VanDerWaalsContact O-CG 3.29Å; D463-K467 WeakPolarHBondContact O-CG 3.27Å; D463-K467 PolarHBondContact O-N 3.4Å
464	D	96.4	Very high	94.1	Very high	24 Å²	24	58.6 Å²	58.6	13%	0.128	30%	0.304	C	S	.	.	H	α-helix	trans	-75.1	-32.9	-179.7	-61.8	-47.6	0	0	0	112.3	F456 L458 D459 T461 V466 K467 F468	F456-D464 HydrophobicContact CZ-CB 4.41Å; L458-D464 HydrophobicContact CB-CB 4.09Å; L458-D464 HydrophobicContact CD1-CB 4.23Å; D459-D464 WeakPolarHBondContact O-CB 3.27Å; T461-D464 PolarHBondContact O-N 3Å; T461-D464 PolarHBondContact OG1-N 3.42Å; T461-D464 PolarHBondContact OG1-OD2 2.67Å; D464-V466 VanDerWaalsContact C-N 3.35Å; D464-K467 PolarHBondContact O-N 3.03Å; D464-K467 IonicContact OD1-NZ 2.75Å; D464-K467 PolarHBondContact OD1-NZ 2.77Å; D464-F468 WeakPolarHBondContact O-CB 3.47Å; D464-F468 PolarHBondContact O-N 2.8Å
465	F	98	Very high	93.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.9	-43.9	167.4	-78.6	-60	0	0	0	112.2	L389 L403 I406 Y407 L410 I443 F456 R460 T461 L462 F468 L469	L389-F465 HydrophobicContact CD2-CD1 3.85Å; L389-F465 HydrophobicContact CD2-CE1 4.19Å; L403-F465 HydrophobicContact CD1-CE2 3.6Å; L403-F465 HydrophobicContact CD1-CZ 3.89Å; I406-F465 HydrophobicContact CG2-CD2 4.24Å; I406-F465 HydrophobicContact CG2-CE2 4.33Å; Y407-F465 HydrophobicContact CD2-CZ 4.48Å; L410-F465 HydrophobicContact CD1-CB 3.67Å; L410-F465 HydrophobicContact CD2-CB 3.66Å; L410-F465 HydrophobicContact CD2-CD1 4.1Å; L410-F465 HydrophobicContact CD2-CD2 4.27Å; L410-F465 HydrophobicContact CD2-CG 3.76Å; L410-F465 HydrophobicContact CG-CB 4.26Å; I443-F465 HydrophobicContact CG2-CE1 4.2Å; F456-F465 HydrophobicContact CD1-CD1 4.37Å; F456-F465 AromaticContact CD1-CE1 3.65Å; F456-F465 HydrophobicContact CD1-CE1 3.65Å; F456-F465 HydrophobicContact CD1-CZ 4.16Å; F456-F465 AromaticContact CD2-CD1 3.91Å; F456-F465 HydrophobicContact CD2-CD1 3.91Å; F456-F465 AromaticContact CD2-CE1 3.96Å; F456-F465 HydrophobicContact CD2-CE1 3.96Å; F456-F465 HydrophobicContact CE1-CD1 4.02Å; F456-F465 AromaticContact CE1-CE1 3.48Å; F456-F465 HydrophobicContact CE1-CE1 3.48Å; F456-F465 VanDerWaalsContact CE1-CE1 3.48Å; F456-F465 HydrophobicContact CE1-CE2 4.49Å; F456-F465 AromaticContact CE1-CZ 3.75Å; F456-F465 HydrophobicContact CE1-CZ 3.75Å; F456-F465 AromaticContact CE2-CD1 3.51Å; F456-F465 HydrophobicContact CE2-CD1 3.51Å; F456-F465 AromaticContact CE2-CE1 3.79Å; F456-F465 HydrophobicContact CE2-CE1 3.79Å; F456-F465 HydrophobicContact CE2-CG 4.21Å; F456-F465 HydrophobicContact CG-CD1 4.32Å; F456-F465 AromaticContact CG-CE1 3.88Å; F456-F465 HydrophobicContact CG-CE1 3.88Å; F456-F465 AromaticContact CZ-CD1 3.56Å; F456-F465 HydrophobicContact CZ-CD1 3.56Å; F456-F465 AromaticContact CZ-CE1 3.54Å; F456-F465 HydrophobicContact CZ-CE1 3.54Å; F456-F465 HydrophobicContact CZ-CE2 4.49Å; F456-F465 HydrophobicContact CZ-CG 4.05Å; F456-F465 HydrophobicContact CZ-CZ 4.04Å; R460-F465 HydrophobicContact CB-CE2 4.42Å; T461-F465 WeakPolarHBondContact O-CD2 3.31Å; T461-F465 PolarHBondContact O-N 3.33Å; L462-F465 PolarHBondContact O-N 3.41Å; F465-F468 PolarHBondContact O-N 2.88Å; F465-L469 WeakPolarHBondContact O-CB 3.42Å; F465-L469 WeakPolarHBondContact O-CG 3.15Å; F465-L469 PolarHBondContact O-N 3.32Å
466	V	97	Very high	91.6	Very high	19 Å²	19	60.8 Å²	60.8	12%	0.115	33%	0.33	C	S	.	.	H	α-helix	trans	-63.2	-49.3	177.9	169.5	0	0	0	0	110.6	L410 K413 Y414 L462 D463 D464 F468 L469 D470	L410-V466 HydrophobicContact CD1-CG2 4Å; K413-V466 HydrophobicContact CD-CG2 3.54Å; Y414-V466 HydrophobicContact CE2-CG2 4.25Å; L462-V466 HydrophobicContact CD1-CG2 4.4Å; L462-V466 VanDerWaalsContact O-CG2 3.27Å; L462-V466 WeakPolarHBondContact O-CG2 3.38Å; L462-V466 PolarHBondContact O-N 2.94Å; D463-V466 PolarHBondContact O-N 2.79Å; D464-V466 VanDerWaalsContact C-N 3.35Å; V466-F468 VanDerWaalsContact C-N 3.27Å; V466-F468 PolarHBondContact O-N 3.23Å; V466-L469 PolarHBondContact O-N 3.04Å; V466-D470 WeakPolarHBondContact CG1-OD2 3.24Å; V466-D470 VanDerWaalsContact O-CB 3.3Å; V466-D470 WeakPolarHBondContact O-CB 3.28Å; V466-D470 VanDerWaalsContact O-CG 3.22Å; V466-D470 PolarHBondContact O-N 3.03Å
467	K	95.4	Very high	89.6	Confident	121 Å²	121	66.4 Å²	66.4	53%	0.526	36%	0.36	S	S	.	.	H	α-helix	trans	-55.6	-43.8	175.7	-72.1	172.3	-160	157.4	0	111.7	D463 D464 A471	D463-K467 VanDerWaalsContact O-CG 3.29Å; D463-K467 WeakPolarHBondContact O-CG 3.27Å; D463-K467 PolarHBondContact O-N 3.4Å; D464-K467 PolarHBondContact O-N 3.03Å; D464-K467 IonicContact OD1-NZ 2.75Å; D464-K467 PolarHBondContact OD1-NZ 2.77Å; K467-A471 WeakPolarHBondContact O-CB 3.3Å; K467-A471 PolarHBondContact O-N 2.8Å
468	F	96.9	Very high	87.2	Confident	8 Å²	8	64.6 Å²	64.6	4%	0.035	36%	0.358	C	S	.	.	H	α-helix	trans	-65.8	-45	-179.2	-178.9	-93.7	0	0	0	112.7	L389 Y445 I454 F456 L458 D464 F465 V466 A471 N472 G473 V475	L389-F468 HydrophobicContact CD1-CE1 4.29Å; Y445-F468 HydrophobicContact CD1-CE1 4.32Å; Y445-F468 AromaticContact CG-CE1 3.94Å; Y445-F468 HydrophobicContact CG-CE1 3.94Å; I454-F468 HydrophobicContact CB-CZ 4.38Å; I454-F468 HydrophobicContact CG2-CE2 4.18Å; I454-F468 HydrophobicContact CG2-CZ 3.83Å; F456-F468 HydrophobicContact CB-CZ 4.43Å; F456-F468 HydrophobicContact CD2-CB 3.95Å; F456-F468 AromaticContact CD2-CD1 3.74Å; F456-F468 HydrophobicContact CD2-CD1 3.74Å; F456-F468 AromaticContact CD2-CD2 3.89Å; F456-F468 HydrophobicContact CD2-CD2 3.89Å; F456-F468 HydrophobicContact CD2-CE1 4.15Å; F456-F468 HydrophobicContact CD2-CE2 4.29Å; F456-F468 AromaticContact CD2-CG 3.59Å; F456-F468 HydrophobicContact CD2-CG 3.59Å; F456-F468 HydrophobicContact CD2-CZ 4.4Å; F456-F468 HydrophobicContact CE2-CB 3.77Å; F456-F468 HydrophobicContact CE2-CD1 4.37Å; F456-F468 HydrophobicContact CE2-CD2 4.39Å; F456-F468 AromaticContact CE2-CG 3.95Å; F456-F468 HydrophobicContact CE2-CG 3.95Å; L458-F468 HydrophobicContact CD1-CB 4.17Å; L458-F468 HydrophobicContact CD1-CD2 4.39Å; D464-F468 WeakPolarHBondContact O-CB 3.47Å; D464-F468 PolarHBondContact O-N 2.8Å; F465-F468 PolarHBondContact O-N 2.88Å; V466-F468 VanDerWaalsContact C-N 3.27Å; V466-F468 PolarHBondContact O-N 3.23Å; F468-A471 CarbonylContact O-C 3.59Å; F468-A471 PolarHBondContact O-N 3Å; F468-N472 PolarHBondContact O-N 3.09Å; F468-G473 PolarHBondContact O-N 2.92Å; F468-V475 HydrophobicContact CB-CG2 4.22Å; F468-V475 HydrophobicContact CD2-CG2 3.91Å; F468-V475 HydrophobicContact CG-CG2 4.47Å
469	L	95.9	Very high	84.4	Confident	8 Å²	8	71.3 Å²	71.3	4%	0.042	39%	0.388	C	S	.	.	H	α-helix	trans	-66.9	-43.8	176.9	-73.1	172.3	0	0	0	112	L389 L410 Y414 I420 I422 Y445 F465 V466 A471 N472	L389-L469 HydrophobicContact CB-CD2 4.23Å; L389-L469 HydrophobicContact CD2-CD1 4.4Å; L389-L469 HydrophobicContact CD2-CD2 4.46Å; L410-L469 HydrophobicContact CD1-CD1 4.01Å; L410-L469 HydrophobicContact CD2-CD1 4.28Å; L410-L469 HydrophobicContact CG-CD1 4.39Å; Y414-L469 HydrophobicContact CD2-CD1 3.97Å; Y414-L469 HydrophobicContact CE2-CD1 3.54Å; I420-L469 HydrophobicContact CG2-CD1 4.29Å; I420-L469 HydrophobicContact CG2-CD2 4.45Å; I422-L469 HydrophobicContact CD1-CD1 3.82Å; Y445-L469 HydrophobicContact CD2-CD2 3.95Å; Y445-L469 HydrophobicContact CE2-CD2 3.78Å; F465-L469 WeakPolarHBondContact O-CB 3.42Å; F465-L469 WeakPolarHBondContact O-CG 3.15Å; F465-L469 PolarHBondContact O-N 3.32Å; V466-L469 PolarHBondContact O-N 3.04Å; L469-A471 PolarHBondContact O-N 2.78Å; L469-N472 PolarHBondContact O-N 3.38Å
470	D	91.3	Very high	81.7	Confident	114 Å²	114	71.6 Å²	71.6	61%	0.61	40%	0.396	S	S	*	.	H	α-helix	trans	-65	-30.2	178.1	-69.7	-7.7	0	0	0	111.6	Y414 V466 N472	Y414-D470 PolarHBondContact OH-OD1 3.41Å; V466-D470 WeakPolarHBondContact CG1-OD2 3.24Å; V466-D470 VanDerWaalsContact O-CB 3.3Å; V466-D470 WeakPolarHBondContact O-CB 3.28Å; V466-D470 VanDerWaalsContact O-CG 3.22Å; V466-D470 PolarHBondContact O-N 3.03Å; D470-N472 VanDerWaalsContact C-N 3.27Å; D470-N472 PolarHBondContact O-N 3.43Å
471	A	93.7	Very high	78.8	Confident	37 Å²	37	72.4 Å²	72.4	31%	0.306	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	5.9	171.8	0	0	0	0	0	113.8	K467 F468 L469 G473 E474 V475	K467-A471 WeakPolarHBondContact O-CB 3.3Å; K467-A471 PolarHBondContact O-N 2.8Å; F468-A471 CarbonylContact O-C 3.59Å; F468-A471 PolarHBondContact O-N 3Å; L469-A471 PolarHBondContact O-N 2.78Å; A471-G473 PolarHBondContact O-N 3.3Å; A471-E474 WeakPolarHBondContact O-CB 3.33Å; A471-E474 PolarHBondContact O-N 3Å; A471-V475 HydrophobicContact CB-CG2 3.87Å
472	N	92.6	Very high	75.7	Confident	63 Å²	63	78.1 Å²	78.1	34%	0.337	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	33.9	-178.2	-164.2	25.6	0	0	0	113.6	Y445 R447 F468 L469 D470 E474	Y445-N472 WeakPolarHBondContact CE1-O 3.28Å; Y445-N472 PolarHBondContact OH-OD1 3.17Å; R447-N472 WeakPolarHBondContact CD-ND2 3.3Å; R447-N472 WeakPolarHBondContact CG-OD1 3.14Å; F468-N472 PolarHBondContact O-N 3.09Å; L469-N472 PolarHBondContact O-N 3.38Å; D470-N472 VanDerWaalsContact C-N 3.27Å; D470-N472 PolarHBondContact O-N 3.43Å; N472-E474 VanDerWaalsContact C-N 3.29Å; N472-E474 PolarHBondContact O-N 3.4Å
473	G	89.5	Confident	72.7	Confident	7 Å²	7	84.8 Å²	84.8	7%	0.072	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	3.8	-175.9	0	0	0	0	0	115.2	F468 A471 V475	F468-G473 PolarHBondContact O-N 2.92Å; A471-G473 PolarHBondContact O-N 3.3Å; G473-V475 PolarHBondContact O-N 3.17Å
474	E	86.2	Confident	69.6	Low	132 Å²	132	85.3 Å²	85.3	62%	0.617	47%	0.472	S	S	*	.			trans	-97.1	65.9	179.3	-59.8	-171.7	171.4	0	0	111	R447 A471 N472	R447-E474 IonicContact CZ-OE1 2.76Å; R447-E474 IonicContact NH1-OE1 3.2Å; R447-E474 PolarHBondContact NH1-OE1 3.37Å; A471-E474 WeakPolarHBondContact O-CB 3.33Å; A471-E474 PolarHBondContact O-N 3Å; N472-E474 VanDerWaalsContact C-N 3.29Å; N472-E474 PolarHBondContact O-N 3.4Å
475	V	77.1	Confident	66.7	Low	55 Å²	55	93.2 Å²	93.2	33%	0.333	51%	0.508	S	S	.	.			trans	-97.7	125.1	168.3	-169.5	0	0	0	0	107.1	L458 F468 A471 G473 D477	L458-V475 HydrophobicContact CD1-CB 4.28Å; L458-V475 HydrophobicContact CD1-CG1 4.07Å; L458-V475 HydrophobicContact CD1-CG2 4.16Å; L458-V475 HydrophobicContact CD2-CG1 4.21Å; F468-V475 HydrophobicContact CB-CG2 4.22Å; F468-V475 HydrophobicContact CD2-CG2 3.91Å; F468-V475 HydrophobicContact CG-CG2 4.47Å; A471-V475 HydrophobicContact CB-CG2 3.87Å; G473-V475 PolarHBondContact O-N 3.17Å; V475-D477 PolarHBondContact O-N 3.36Å
476	A	61.1	Low	63.7	Low	87 Å²	87	102 Å²	102	72%	0.719	55%	0.549	S	S	*	.			trans	-60.6	129.1	170.5	0	0	0	0	0	107.6	S478	A476-S478 PolarHBondContact O-N 3.36Å
477	D	52.1	Low	60.8	Low	130 Å²	130	110 Å²	110	70%	0.695	59%	0.585	S	S	*	*			trans	-47	114.6	170.5	-72.2	-39	0	0	0	106.8	V475 E479	V475-D477 PolarHBondContact O-N 3.36Å; D477-E479 PolarHBondContact O-N 2.72Å; D477-E479 VanDerWaalsContact O-N 3.08Å
478	S	41.4	Very low	58.1	Low	85 Å²	85	113.4 Å²	113.4	59%	0.594	60%	0.603	S	S	*	*			trans	-57.2	120.1	168.4	44.8	0	0	0	0	105.8	A476	A476-S478 PolarHBondContact O-N 3.36Å
479	E	32.6	Very low	55.2	Low	174 Å²	174	121.8 Å²	121.8	81%	0.813	64%	0.642	S	S	*	*			trans	-44.6	137.5	168.2	-71.4	-179.3	161.2	0	0	108.1	D477 V481	D477-E479 PolarHBondContact O-N 2.72Å; D477-E479 VanDerWaalsContact O-N 3.08Å; E479-V481 PolarHBondContact O-N 2.61Å
480	P	34.2	Very low	52.5	Low	126 Å²	126	125.6 Å²	125.6	82%	0.818	68%	0.675	S	S	*	*			trans	-50.3	119	-175.8	19.4	-30.6	0	0	0	108.4	E482	P480-E482 PolarHBondContact O-N 2.89Å
481	V	33.8	Very low	50.2	Low	115 Å²	115	126.1 Å²	126.1	70%	0.697	69%	0.685	S	S	*	*			trans	-61.8	108.1	178.7	179.4	0	0	0	0	105.8	E479 E483	E479-V481 PolarHBondContact O-N 2.61Å; V481-E483 PolarHBondContact O-N 3.06Å
482	E	30.1	Very low	47.8	Very low	177 Å²	177	134 Å²	134	83%	0.827	71%	0.712	S	S	*	*			trans	-53.2	116.1	159.9	-83.5	-171.9	159	0	0	105.8	P480 T484	P480-E482 PolarHBondContact O-N 2.89Å; E482-T484 VanDerWaalsContact C-N 3.35Å; E482-T484 PolarHBondContact O-N 2.71Å
483	E	36	Very low	45.4	Very low	188 Å²	188	140.4 Å²	140.4	88%	0.879	74%	0.737	S	S	*	*			trans	-49.9	102.3	174.8	-70.9	-178.9	160.9	0	0	107.8	V481 E485	V481-E483 PolarHBondContact O-N 3.06Å; E483-E485 PolarHBondContact O-N 3.43Å
484	T	30.2	Very low	43.2	Very low	122 Å²	122	147.8 Å²	147.8	75%	0.748	77%	0.774	S	S	*	*			trans	-75.8	110.6	167.4	30.4	0	0	0	0	104.8	E482 E486	E482-T484 VanDerWaalsContact C-N 3.35Å; E482-T484 PolarHBondContact O-N 2.71Å; T484-E486 PolarHBondContact O-N 2.85Å
485	E	34.9	Very low	41.1	Very low	190 Å²	190	149.9 Å²	149.9	89%	0.888	78%	0.784	S	S	*	*			trans	-41.5	105.9	174.4	-65.5	179.9	158.1	0	0	109.2	E483 E487	E483-E485 PolarHBondContact O-N 3.43Å; E485-E487 PolarHBondContact O-N 3.01Å
486	E	36.2	Very low	39.7	Very low	184 Å²	184	158.8 Å²	158.8	86%	0.86	83%	0.829	S	S	*	*			trans	-62	110.7	166.1	-76.3	-171.6	158.8	0	0	106.3	T484 E488	T484-E486 PolarHBondContact O-N 2.85Å; E486-E488 PolarHBondContact O-N 3.09Å
487	E	35.8	Very low	38.6	Very low	188 Å²	188	162.4 Å²	162.4	88%	0.879	83%	0.834	S	S	*	*			trans	-52.5	107.2	170.3	-73.3	-175.7	157	0	0	108.3	E485 E489	E485-E487 PolarHBondContact O-N 3.01Å; E487-E489 PolarHBondContact O-N 3.14Å
488	E	38.4	Very low	37.9	Very low	191 Å²	191	164.1 Å²	164.1	89%	0.893	84%	0.842	S	S	*	*			trans	-51.8	109.5	173.2	-74.5	-171.5	150.6	0	0	109.3	E486 A490	E486-E488 PolarHBondContact O-N 3.09Å; E488-A490 PolarHBondContact O-N 3.18Å
489	E	35.7	Very low	37.7	Very low	185 Å²	185	168.5 Å²	168.5	86%	0.864	86%	0.855	S	S	*	*			trans	-58.7	109.2	168.2	-85.9	-160.9	152.7	0	0	108.9	E487	E487-E489 PolarHBondContact O-N 3.14Å
490	A	40.2	Very low	38	Very low	88 Å²	88	168.2 Å²	168.2	73%	0.727	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-55.4	135.6	175.9	0	0	0	0	0	111.3	E488 K492	E488-A490 PolarHBondContact O-N 3.18Å; A490-K492 PolarHBondContact O-N 3.04Å
491	P	42	Very low	38.2	Very low	125 Å²	125	170.8 Å²	170.8	81%	0.812	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-66.1	128.7	-171.6	23.7	-31.9	0	0	0	111.9	K493	P491-K493 PolarHBondContact O-N 3Å
492	K	44.3	Very low	38.5	Very low	202 Å²	202	174.5 Å²	174.5	88%	0.878	87%	0.871	S	S	*	*	P	Polyproline II helix	trans	-58.8	122.8	174.1	-74.2	177.5	180	164.5	0	110.1	A490 D494	A490-K492 PolarHBondContact O-N 3.04Å; K492-D494 PolarHBondContact O-N 3.19Å
493	K	40.8	Very low	39.1	Very low	198 Å²	198	174.4 Å²	174.4	86%	0.861	88%	0.875	S	S	*	*	P	Polyproline II helix	trans	-59.9	124.3	169.6	-89.7	-179.4	172.2	178.5	0	110.1	P491 E495	P491-K493 PolarHBondContact O-N 3Å; K493-E495 PolarHBondContact O-N 2.69Å
494	D	44.2	Very low	39.3	Very low	161 Å²	161	173.3 Å²	173.3	86%	0.861	87%	0.874	S	S	*	*			trans	-73.2	109.2	171.3	-144.5	-3.5	0	0	0	108.4	K492	K492-D494 PolarHBondContact O-N 3.19Å
495	E	42.4	Very low	40.1	Very low	177 Å²	177	177.6 Å²	177.6	83%	0.827	89%	0.885	S	S	*	*			trans	-111.3	100.5	168.2	-75.9	-168.6	170.6	0	0	108.7	K493	K493-E495 PolarHBondContact O-N 2.69Å
496	L	46.5	Very low	40.6	Very low	242 Å²	242	176.5 Å²	176.5	100%	1.267	88%	0.884	S	S	*	*			trans	-133.1	0	149.9	-81.8	178.5	0	0	0	109.7

Retrieved 496 of 496 residues in 223 ms (Link to these results)

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