A0A087Y2U1_POEFO Loading...

Nicastrin

AlphaFold DB , UniProt , Accession A0A087Y2U1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 701 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	33.4	Very low	51.1	Low	224 Å²	224	146.8 Å²	146.8	100%	1.103	73%	0.73	S	S	*	*				0	111.3	0	-67.5	169.9	68.2	0	0	107.2
2	D	36.5	Very low	51.9	Low	129 Å²	129	141.7 Å²	141.7	69%	0.69	71%	0.706	S	S	*	*			cis	-154.3	140.2	-1.6	-86.4	-40.4	0	0	0	108.9	L4	D2-L4 HydrophobicContact CB-CD1 4.42Å; D2-L4 PolarHBondContact O-N 3.38Å
3	L	40.8	Very low	52.6	Low	183 Å²	183	133.8 Å²	133.8	96%	0.958	68%	0.677	S	S	*	*			trans	-69.1	90.2	166.4	-85.3	107.7	0	0	0	109.4
4	L	45.4	Very low	53	Low	149 Å²	149	131.9 Å²	131.9	78%	0.78	67%	0.668	S	S	*	*			trans	-135.5	54.6	173.6	-91.2	164.6	0	0	0	111.6	D2	D2-L4 HydrophobicContact CB-CD1 4.42Å; D2-L4 PolarHBondContact O-N 3.38Å
5	S	54.3	Low	53.3	Low	109 Å²	109	129.3 Å²	129.3	76%	0.762	67%	0.666	S	S	*	*	S	Bend	trans	-161.6	73.3	163.4	-162.7	0	0	0	0	111.8
6	N	53.6	Low	53.3	Low	112 Å²	112	129.4 Å²	129.4	60%	0.599	67%	0.667	S	S	*	*	S	Bend	trans	-161.5	-15.8	167.2	-103.9	-22.6	0	0	0	112.6	W8 I9 V10	N6-W8 VanDerWaalsContact C-N 3.32Å; N6-W8 PolarHBondContact O-N 2.65Å; N6-I9 PolarHBondContact O-N 3.44Å; N6-V10 WeakPolarHBondContact O-CG2 3.48Å; N6-V10 PolarHBondContact O-N 3.35Å
7	K	54.2	Low	53.1	Low	156 Å²	156	132.7 Å²	132.7	68%	0.678	68%	0.676	S	S	*	*	H	α-helix	trans	-62.4	-36.9	175.8	-70.2	-174.6	176.7	-179.8	0	112.6	I9 V10 Y11	K7-I9 PolarHBondContact O-N 3.47Å; K7-V10 PolarHBondContact O-N 3.49Å; K7-Y11 HydrophobicContact CB-CD2 4.31Å; K7-Y11 HydrophobicContact CB-CE2 4.19Å; K7-Y11 WeakPolarHBondContact O-CD2 3.29Å; K7-Y11 PolarHBondContact O-N 2.98Å
8	W	56.9	Low	52.8	Low	206 Å²	206	131.7 Å²	131.7	78%	0.78	68%	0.677	S	S	*	*	H	α-helix	trans	-66.7	-37.1	-178.5	-138.9	77.4	0	0	0	112.6	N6 Y11 L12	N6-W8 VanDerWaalsContact C-N 3.32Å; N6-W8 PolarHBondContact O-N 2.65Å; W8-Y11 PolarHBondContact O-N 3.46Å; W8-L12 HydrophobicContact CE3-CD1 3.74Å; W8-L12 HydrophobicContact CH2-CD1 3.94Å; W8-L12 HydrophobicContact CZ3-CD1 3.34Å; W8-L12 WeakPolarHBondContact O-CB 3.5Å; W8-L12 PolarHBondContact O-N 3.22Å
9	I	62.5	Low	52.4	Low	113 Å²	113	128.5 Å²	128.5	58%	0.579	68%	0.68	S	S	*	*	H	α-helix	trans	-69.3	-39.5	176.2	-62.4	173.2	0	0	0	110.7	N6 K7 L12 A13	N6-I9 PolarHBondContact O-N 3.44Å; K7-I9 PolarHBondContact O-N 3.47Å; I9-L12 PolarHBondContact O-N 3.01Å; I9-A13 VanDerWaalsContact O-CB 3.26Å; I9-A13 WeakPolarHBondContact O-CB 3.34Å; I9-A13 PolarHBondContact O-N 3.4Å
10	V	63.2	Low	52	Low	84 Å²	84	125.5 Å²	125.5	51%	0.509	68%	0.681	S	S	.	*	H	α-helix	trans	-65.9	-39.2	174.7	175.7	0	0	0	0	111.3	N6 K7 L14	N6-V10 WeakPolarHBondContact O-CG2 3.48Å; N6-V10 PolarHBondContact O-N 3.35Å; K7-V10 PolarHBondContact O-N 3.49Å; V10-L14 HydrophobicContact CG1-CD1 4.17Å; V10-L14 WeakPolarHBondContact O-CB 3.28Å; V10-L14 PolarHBondContact O-N 3.04Å
11	Y	61.4	Low	51.6	Low	150 Å²	150	125.6 Å²	125.6	59%	0.588	69%	0.685	S	S	*	*	H	α-helix	trans	-68.5	-38.5	174	-77.4	-63.2	0	0	0	112.6	K7 W8 L14 C15	K7-Y11 HydrophobicContact CB-CD2 4.31Å; K7-Y11 HydrophobicContact CB-CE2 4.19Å; K7-Y11 WeakPolarHBondContact O-CD2 3.29Å; K7-Y11 PolarHBondContact O-N 2.98Å; W8-Y11 PolarHBondContact O-N 3.46Å; Y11-L14 PolarHBondContact O-N 3.36Å; Y11-C15 WeakPolarHBondContact O-CB 3.33Å; Y11-C15 PolarHBondContact O-N 3.31Å; Y11-C15 PolarHBondContact O-SG 3.47Å
12	L	61.1	Low	52.3	Low	85 Å²	85	120.6 Å²	120.6	45%	0.445	67%	0.672	S	S	.	*	H	α-helix	trans	-67.5	-39.3	176.1	-143.1	116.2	0	0	0	111.5	W8 I9 C15 L16	W8-L12 HydrophobicContact CE3-CD1 3.74Å; W8-L12 HydrophobicContact CH2-CD1 3.94Å; W8-L12 HydrophobicContact CZ3-CD1 3.34Å; W8-L12 WeakPolarHBondContact O-CB 3.5Å; W8-L12 PolarHBondContact O-N 3.22Å; I9-L12 PolarHBondContact O-N 3.01Å; L12-C15 PolarHBondContact O-N 3.28Å; L12-L16 HydrophobicContact CD2-CD1 4.2Å; L12-L16 WeakPolarHBondContact O-CB 3.48Å; L12-L16 WeakPolarHBondContact O-CD1 3.43Å; L12-L16 VanDerWaalsContact O-CG 3.3Å; L12-L16 WeakPolarHBondContact O-CG 3.48Å; L12-L16 PolarHBondContact O-N 2.98Å
13	A	60.6	Low	53.1	Low	40 Å²	40	119.9 Å²	119.9	33%	0.331	68%	0.676	S	S	.	*	H	α-helix	trans	-67	-42.3	173.3	0	0	0	0	0	111.8	I9 C15 L16 F17	I9-A13 VanDerWaalsContact O-CB 3.26Å; I9-A13 WeakPolarHBondContact O-CB 3.34Å; I9-A13 PolarHBondContact O-N 3.4Å; A13-C15 PolarHBondContact O-N 2.83Å; A13-L16 PolarHBondContact O-N 3.33Å; A13-F17 VanDerWaalsContact O-CD2 3.27Å; A13-F17 WeakPolarHBondContact O-CD2 3.43Å; A13-F17 PolarHBondContact O-N 3.44Å
14	L	58.1	Low	54.6	Low	106 Å²	106	115.4 Å²	115.4	56%	0.555	65%	0.653	S	S	*	*	H	α-helix	trans	-62.6	-41.1	173.7	-116.8	96.9	0	0	0	111.8	V10 Y11 L16 F17 V18	V10-L14 HydrophobicContact CG1-CD1 4.17Å; V10-L14 WeakPolarHBondContact O-CB 3.28Å; V10-L14 PolarHBondContact O-N 3.04Å; Y11-L14 PolarHBondContact O-N 3.36Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L14-L16 PolarHBondContact O-N 3.16Å; L14-F17 PolarHBondContact O-N 3.41Å; L14-V18 WeakPolarHBondContact O-CG2 3.4Å; L14-V18 PolarHBondContact O-N 2.85Å
15	C	56.8	Low	56.6	Low	94 Å²	94	111.7 Å²	111.7	64%	0.635	64%	0.64	S	S	*	*	H	α-helix	trans	-64.8	-35.1	175	-74.5	0	0	0	0	112.3	Y11 L12 A13	Y11-C15 WeakPolarHBondContact O-CB 3.33Å; Y11-C15 PolarHBondContact O-N 3.31Å; Y11-C15 PolarHBondContact O-SG 3.47Å; L12-C15 PolarHBondContact O-N 3.28Å; A13-C15 PolarHBondContact O-N 2.83Å
16	L	54.2	Low	58.3	Low	130 Å²	130	109.9 Å²	109.9	68%	0.681	62%	0.624	S	S	*	*	H	α-helix	trans	-70.1	-31.1	173.2	-76	162.1	0	0	0	112.5	L12 A13 L14	L12-L16 HydrophobicContact CD2-CD1 4.2Å; L12-L16 WeakPolarHBondContact O-CB 3.48Å; L12-L16 WeakPolarHBondContact O-CD1 3.43Å; L12-L16 VanDerWaalsContact O-CG 3.3Å; L12-L16 WeakPolarHBondContact O-CG 3.48Å; L12-L16 PolarHBondContact O-N 2.98Å; A13-L16 PolarHBondContact O-N 3.33Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L14-L16 PolarHBondContact O-N 3.16Å
17	F	49	Very low	60.1	Low	186 Å²	186	107.6 Å²	107.6	82%	0.816	61%	0.61	S	S	*	*	H	α-helix	trans	-79	-21	175.9	-89.8	-75.8	0	0	0	114.4	A13 L14 G19	A13-F17 VanDerWaalsContact O-CD2 3.27Å; A13-F17 WeakPolarHBondContact O-CD2 3.43Å; A13-F17 PolarHBondContact O-N 3.44Å; L14-F17 PolarHBondContact O-N 3.41Å; F17-G19 VanDerWaalsContact C-N 3.26Å
18	V	47.6	Very low	61.6	Low	114 Å²	114	106.3 Å²	106.3	69%	0.691	61%	0.61	S	S	*	*	S	Bend	trans	-80.7	-7.2	172.9	177.9	0	0	0	0	112.1	L14 G20	L14-V18 WeakPolarHBondContact O-CG2 3.4Å; L14-V18 PolarHBondContact O-N 2.85Å; V18-G20 PolarHBondContact O-N 2.87Å
19	G	45.5	Very low	63.2	Low	72 Å²	72	104.7 Å²	104.7	74%	0.742	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	13.2	177.9	0	0	0	0	0	116.5	F17	F17-G19 VanDerWaalsContact C-N 3.26Å
20	G	43.9	Very low	64.6	Low	67 Å²	67	103 Å²	103	69%	0.691	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.4	8.3	-170.6	0	0	0	0	0	116.6	V18	V18-G20 PolarHBondContact O-N 2.87Å
21	V	45.3	Very low	66.1	Low	128 Å²	128	102.1 Å²	102.1	78%	0.776	59%	0.588	S	S	*	*			trans	-132.5	79.8	175.1	-168.5	0	0	0	0	109.6	C23	V21-C23 VanDerWaalsContact C-N 3.29Å; V21-C23 PolarHBondContact O-N 3.25Å
22	S	48	Very low	67.7	Low	119 Å²	119	98.1 Å²	98.1	83%	0.832	58%	0.579	S	S	*	*			trans	-76.8	84.2	168.6	-171.4	0	0	0	0	108.9
23	C	52.8	Low	69.2	Low	114 Å²	114	99.6 Å²	99.6	77%	0.77	58%	0.582	S	S	*	*			trans	-94.5	83.8	165.7	-161.3	0	0	0	0	107.8	V21 S25	V21-C23 VanDerWaalsContact C-N 3.29Å; V21-C23 PolarHBondContact O-N 3.25Å; C23-S25 PolarHBondContact O-N 3.36Å; C23-S25 VanDerWaalsContact O-N 3.14Å
24	N	72.9	Confident	70.6	Confident	89 Å²	89	98.3 Å²	98.3	48%	0.476	57%	0.57	S	S	.	*			trans	-84.6	85.1	-177.6	-168.4	9	0	0	0	111.3	V26 E27	N24-V26 PolarHBondContact O-N 2.88Å; N24-V26 VanDerWaalsContact O-N 3.09Å; N24-V26 WeakPolarHBondContact OD1-CB 3.47Å; N24-V26 PolarHBondContact OD1-N 2.75Å; N24-E27 PolarHBondContact O-N 2.84Å
25	S	86.3	Confident	71.9	Confident	71 Å²	71	98.9 Å²	98.9	50%	0.497	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.8	-15.3	176.7	65.3	0	0	0	0	114.2	C23 E27 N28	C23-S25 PolarHBondContact O-N 3.36Å; C23-S25 VanDerWaalsContact O-N 3.14Å; S25-E27 VanDerWaalsContact C-N 3.32Å; S25-N28 PolarHBondContact O-N 3.4Å
26	V	91	Very high	73.2	Confident	72 Å²	72	102 Å²	102	44%	0.436	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.4	-32	177.6	-176	0	0	0	0	111.2	N24 N28 K29 I30	N24-V26 PolarHBondContact O-N 2.88Å; N24-V26 VanDerWaalsContact O-N 3.09Å; N24-V26 WeakPolarHBondContact OD1-CB 3.47Å; N24-V26 PolarHBondContact OD1-N 2.75Å; V26-N28 VanDerWaalsContact C-N 3.27Å; V26-N28 PolarHBondContact O-N 3.29Å; V26-K29 WeakPolarHBondContact O-CB 3.29Å; V26-K29 PolarHBondContact O-N 2.94Å; V26-I30 HydrophobicContact CG1-CD1 3.81Å; V26-I30 HydrophobicContact CG1-CG1 4.42Å; V26-I30 WeakPolarHBondContact O-CG1 3.48Å; V26-I30 PolarHBondContact O-N 3.31Å
27	E	89.6	Confident	74.9	Confident	64 Å²	64	97 Å²	97	30%	0.299	55%	0.548	S	S	.	.	H	α-helix	trans	-58	-43.9	176.3	-168.1	-175.7	148.5	0	0	110.6	N24 S25 K29 I30 Y31 K33	N24-E27 PolarHBondContact O-N 2.84Å; S25-E27 VanDerWaalsContact C-N 3.32Å; E27-K29 PolarHBondContact O-N 2.92Å; E27-I30 PolarHBondContact O-N 2.86Å; E27-I30 VanDerWaalsContact O-N 3.08Å; E27-Y31 HydrophobicContact CG-CD2 3.67Å; E27-Y31 HydrophobicContact CG-CE2 4.37Å; E27-Y31 PolarHBondContact O-N 3.19Å; E27-K33 WeakPolarHBondContact OE1-CE 3.48Å; E27-K33 IonicContact OE1-NZ 3.67Å; E27-K33 PolarHBondContact OE1-NZ 3.18Å
28	N	87.8	Confident	77	Confident	129 Å²	129	89.3 Å²	89.3	69%	0.69	52%	0.516	S	S	*	.	H	α-helix	trans	-68.6	-15.1	178.4	-63.7	-12.2	0	0	0	113.6	S25 V26	S25-N28 PolarHBondContact O-N 3.4Å; V26-N28 VanDerWaalsContact C-N 3.27Å; V26-N28 PolarHBondContact O-N 3.29Å
29	K	89.9	Confident	79.3	Confident	172 Å²	172	84 Å²	84	75%	0.748	48%	0.484	S	S	*	.	H	α-helix	trans	-86.8	-19.2	173.8	-65.8	-176.5	178.7	-176.5	0	112.8	V26 E27	V26-K29 WeakPolarHBondContact O-CB 3.29Å; V26-K29 PolarHBondContact O-N 2.94Å; E27-K29 PolarHBondContact O-N 2.92Å
30	I	92.6	Very high	81.7	Confident	78 Å²	78	80.7 Å²	80.7	40%	0.4	45%	0.449	S	S	.	.	H	α-helix	trans	-107.2	-48.2	-173.3	-61.8	172.1	0	0	0	110.5	V26 E27 F653	V26-I30 HydrophobicContact CG1-CD1 3.81Å; V26-I30 HydrophobicContact CG1-CG1 4.42Å; V26-I30 WeakPolarHBondContact O-CG1 3.48Å; V26-I30 PolarHBondContact O-N 3.31Å; E27-I30 PolarHBondContact O-N 2.86Å; E27-I30 VanDerWaalsContact O-N 3.08Å; I30-F653 HydrophobicContact CG2-CB 4.08Å; I30-F653 WeakPolarHBondContact O-CA 3.37Å; I30-F653 WeakPolarHBondContact O-CB 3.32Å
31	Y	94.1	Very high	84.1	Confident	64 Å²	64	78 Å²	78	25%	0.251	42%	0.419	S	S	.	.			trans	-107.4	133	-169.1	-58.4	-74	0	0	0	111.5	E27 R651 F653	E27-Y31 HydrophobicContact CG-CD2 3.67Å; E27-Y31 HydrophobicContact CG-CE2 4.37Å; E27-Y31 PolarHBondContact O-N 3.19Å; Y31-R651 HydrophobicContact CD1-CG 4.25Å; Y31-R651 VanDerWaalsContact CE1-CZ 3.48Å; Y31-F653 HydrophobicContact CD1-CB 3.73Å; Y31-F653 AromaticContact CD1-CD1 3.49Å; Y31-F653 HydrophobicContact CD1-CD1 3.49Å; Y31-F653 VanDerWaalsContact CD1-CD1 3.49Å; Y31-F653 HydrophobicContact CD1-CE1 4.21Å; Y31-F653 AromaticContact CD1-CG 3.71Å; Y31-F653 HydrophobicContact CD1-CG 3.71Å; Y31-F653 HydrophobicContact CE1-CB 4.05Å; Y31-F653 AromaticContact CE1-CD1 3.54Å; Y31-F653 HydrophobicContact CE1-CD1 3.54Å; Y31-F653 HydrophobicContact CE1-CD2 4.11Å; Y31-F653 AromaticContact CE1-CE1 3.9Å; Y31-F653 HydrophobicContact CE1-CE1 3.9Å; Y31-F653 HydrophobicContact CE1-CE2 4.43Å; Y31-F653 AromaticContact CE1-CG 3.64Å; Y31-F653 HydrophobicContact CE1-CG 3.64Å; Y31-F653 HydrophobicContact CE1-CZ 4.33Å
32	V	93.6	Very high	86.6	Confident	66 Å²	66	72 Å²	72	40%	0.4	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120.7	163.4	-172.4	0	0	0	0	108.2	L181 R651 I652	V32-L181 HydrophobicContact CB-CD2 4.1Å; V32-L181 HydrophobicContact CG1-CD2 3.56Å; V32-L181 HydrophobicContact CG2-CD2 4.32Å; V32-R651 CarbonylContact O-C 3.49Å; V32-R651 WeakPolarHBondContact O-CA 3.4Å; V32-R651 WeakPolarHBondContact O-CB 3.33Å; V32-I652 HydrophobicContact CB-CG1 3.86Å; V32-I652 HydrophobicContact CG2-CG1 4.47Å; V32-I652 PolarHBondContact N-O 3.5Å; V32-I652 PolarHBondContact O-N 2.94Å
33	K	92.6	Very high	89	Confident	116 Å²	116	66.5 Å²	66.5	50%	0.504	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	136.4	-180	-63.7	179.5	-177.8	176.6	0	109.2	E27	E27-K33 WeakPolarHBondContact OE1-CE 3.48Å; E27-K33 IonicContact OE1-NZ 3.67Å; E27-K33 PolarHBondContact OE1-NZ 3.18Å
34	L	91.2	Very high	91.1	Very high	14 Å²	14	61.1 Å²	61.1	7%	0.073	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	127.2	174	-54.5	-179.9	0	0	0	108.3	T37 M173 D178 I182 M205 G650 I652	L34-T37 HydrophobicContact CB-CG2 3.66Å; L34-T37 HydrophobicContact CD1-CG2 4.16Å; L34-M173 HydrophobicContact CD1-SD 4.19Å; L34-D178 HydrophobicContact CD2-CB 4.22Å; L34-I182 HydrophobicContact CD1-CD1 4.09Å; L34-I182 HydrophobicContact CD2-CD1 3.84Å; L34-I182 HydrophobicContact CD2-CG1 4.2Å; L34-M205 HydrophobicContact CD1-SD 3.96Å; L34-G650 PolarHBondContact N-O 2.89Å; L34-I652 HydrophobicContact CD2-CG2 4.46Å
35	N	85.6	Confident	92.2	Very high	118 Å²	118	58.3 Å²	58.3	63%	0.631	29%	0.293	S	S	*	.	S	Bend	trans	-90	-40.4	-172	-64.1	-56.2	0	0	0	112.5	D178	N35-D178 PolarHBondContact N-OD2 2.99Å
36	Y	84.6	Confident	92.6	Very high	159 Å²	159	56.3 Å²	56.3	62%	0.624	28%	0.278	S	S	*	.	S	Bend	trans	-113.8	86.7	-174.9	-67	-72.3	0	0	0	111
37	T	89.3	Confident	92.8	Very high	26 Å²	26	56.8 Å²	56.8	16%	0.16	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	132.2	175.8	65.7	0	0	0	0	111.6	L34 F171 S172 M173	L34-T37 HydrophobicContact CB-CG2 3.66Å; L34-T37 HydrophobicContact CD1-CG2 4.16Å; T37-F171 HydrophobicContact CG2-CD2 4.3Å; T37-S172 WeakPolarHBondContact CA-O 3.49Å; T37-M173 HydrophobicContact CG2-CG 4.18Å
38	V	92.9	Very high	93	Very high	24 Å²	24	59.9 Å²	59.9	15%	0.145	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.1	177.2	-174.3	0	0	0	0	110.3	F171 S172 F277 E279 I280	V38-F171 CarbonylContact O-C 3.56Å; V38-F171 WeakPolarHBondContact O-CA 3.45Å; V38-S172 PolarHBondContact N-O 3.13Å; V38-S172 PolarHBondContact O-N 3.18Å; V38-F277 HydrophobicContact CB-CB 4.48Å; V38-F277 HydrophobicContact CG1-CB 3.85Å; V38-F277 WeakPolarHBondContact O-CD1 2.97Å; V38-E279 HydrophobicContact CG1-CB 3.7Å; V38-E279 HydrophobicContact CG1-CG 4.23Å; V38-I280 HydrophobicContact CB-CD1 3.81Å; V38-I280 HydrophobicContact CB-CG1 4.23Å; V38-I280 HydrophobicContact CG1-CD1 4.13Å; V38-I280 HydrophobicContact CG1-CG1 4.09Å; V38-I280 HydrophobicContact CG2-CD1 3.67Å; V38-I280 HydrophobicContact CG2-CG1 3.91Å
39	P	95.1	Very high	93.4	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.019	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	152.8	-176.8	35.8	-40.2	0	0	0	112.3	V41 F171 S278 I648	P39-V41 HydrophobicContact CG-CG1 4.16Å; P39-F171 HydrophobicContact CB-CD1 4.33Å; P39-F171 HydrophobicContact CB-CE1 3.97Å; P39-F171 HydrophobicContact CB-CZ 4.15Å; P39-S278 PolarHBondContact O-N 2.91Å; P39-I648 HydrophobicContact CB-CD1 4.06Å; P39-I648 HydrophobicContact CB-CG2 3.85Å; P39-I648 HydrophobicContact CG-CD1 3.57Å; P39-I648 HydrophobicContact CG-CG2 3.85Å
40	C	96.3	Very high	93.7	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.014	23%	0.234	C	C	.	.			trans	-76.3	130.3	151.5	168	0	0	0	0	108.9	C52 I170 F276 F277	C40-C52 HydrophobicContact CB-CB 3.62Å; C40-C52 WeakPolarHBondContact CB-SG 3.32Å; C40-C52 WeakPolarHBondContact SG-CB 3.49Å; C40-C52 PolarHBondContact SG-N 3.14Å; C40-C52 CovalentContact SG-SG 2.04Å; C40-C52 PolarHBondContact SG-SG 3.47Å; C40-I170 HydrophobicContact CB-CB 4.11Å; C40-I170 VanDerWaalsContact CB-O 3.27Å; C40-I170 WeakPolarHBondContact CB-O 3.27Å; C40-I170 PolarHBondContact N-O 3.5Å; C40-F276 HydrophobicContact CB-CD1 4.26Å; C40-F276 HydrophobicContact CB-CE1 3.69Å; C40-F276 HydrophobicContact CB-CZ 4.31Å; C40-F277 HydrophobicContact CB-CD1 4.48Å
41	V	95.6	Very high	93.9	Very high	10 Å²	10	43.5 Å²	43.5	6%	0.061	22%	0.218	C	C	.	.			trans	-109.6	157.8	-176.1	-60	0	0	0	0	111.6	P39 L43 G51 M211 S278 E642 W645	P39-V41 HydrophobicContact CG-CG1 4.16Å; V41-L43 HydrophobicContact CG2-CD2 4.31Å; V41-G51 WeakPolarHBondContact O-CA 3.45Å; V41-M211 HydrophobicContact CB-CE 4.08Å; V41-M211 HydrophobicContact CG1-CE 4.05Å; V41-S278 WeakPolarHBondContact CG1-OG 3.49Å; V41-E642 WeakPolarHBondContact CG2-OE1 3.44Å; V41-W645 HydrophobicContact CB-CZ3 4.25Å; V41-W645 HydrophobicContact CG1-CE3 4.48Å; V41-W645 HydrophobicContact CG1-CH2 4.29Å; V41-W645 HydrophobicContact CG1-CZ3 4.12Å
42	R	97.3	Very high	94	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	21%	0.206	C	C	.	.			trans	-84.6	126.2	175.2	172.3	171.4	-72.1	155	-0.9	111.4	L44 I50 Q53 M211 A213 S643	R42-L44 HydrophobicContact CG-CD1 4.48Å; R42-L44 HydrophobicContact CG-CG 4.37Å; R42-I50 WeakPolarHBondContact CA-O 3.25Å; R42-Q53 VanDerWaalsContact NH2-CG 3.3Å; R42-M211 HydrophobicContact CB-CB 3.84Å; R42-M211 HydrophobicContact CB-CG 3.65Å; R42-M211 HydrophobicContact CB-SD 4.14Å; R42-A213 WeakPolarHBondContact CD-O 3.42Å; R42-A213 PolarHBondContact NH1-O 3.16Å; R42-S643 WeakPolarHBondContact O-CB 3.49Å; R42-S643 PolarHBondContact O-N 2.98Å
43	L	97.4	Very high	94.1	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	148.9	168.8	-54.6	176.6	0	0	0	109.8	V41 Q49 I50 F324 Y543 W640 T641 E642	V41-L43 HydrophobicContact CG2-CD2 4.31Å; L43-Q49 CarbonylContact O-C 3.5Å; L43-Q49 WeakPolarHBondContact O-CA 3.47Å; L43-I50 HydrophobicContact CB-CD1 4.14Å; L43-I50 HydrophobicContact CB-CG1 3.79Å; L43-I50 HydrophobicContact CD1-CD1 4.33Å; L43-I50 PolarHBondContact N-O 3.13Å; L43-I50 PolarHBondContact O-N 3.43Å; L43-F324 HydrophobicContact CD1-CE1 3.61Å; L43-F324 HydrophobicContact CD1-CZ 3.97Å; L43-Y543 WeakPolarHBondContact CD2-OH 3.39Å; L43-W640 HydrophobicContact CB-CE3 4.04Å; L43-W640 HydrophobicContact CB-CZ3 4.05Å; L43-T641 CarbonylContact C-O 3.58Å; L43-T641 VanDerWaalsContact CA-O 3.32Å; L43-T641 WeakPolarHBondContact CA-O 3.43Å; L43-E642 HydrophobicContact CD2-CB 3.7Å; L43-E642 HydrophobicContact CD2-CG 3.86Å
44	L	97.4	Very high	94.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	146.5	178.1	-41.5	96.2	0	0	0	110.4	R42 Q49 A213 T217 C236 W640 T641	R42-L44 HydrophobicContact CG-CD1 4.48Å; R42-L44 HydrophobicContact CG-CG 4.37Å; L44-Q49 HydrophobicContact CD2-CB 4.15Å; L44-Q49 HydrophobicContact CG-CB 4.21Å; L44-A213 HydrophobicContact CD1-CB 3.64Å; L44-A213 HydrophobicContact CD2-CB 4.04Å; L44-A213 HydrophobicContact CG-CB 4.47Å; L44-T217 VanDerWaalsContact C-OG1 3.3Å; L44-T217 PolarHBondContact O-OG1 3.25Å; L44-T217 VanDerWaalsContact O-OG1 3.08Å; L44-C236 HydrophobicContact CD1-CB 4.32Å; L44-W640 CarbonylContact O-C 3.51Å; L44-W640 VanDerWaalsContact O-CA 3.31Å; L44-W640 WeakPolarHBondContact O-CA 3.22Å; L44-T641 WeakPolarHBondContact CB-OG1 3.48Å; L44-T641 WeakPolarHBondContact CD1-OG1 3.37Å; L44-T641 PolarHBondContact N-O 2.88Å; L44-T641 PolarHBondContact O-N 2.96Å
45	N	95.1	Very high	94.4	Very high	31 Å²	31	36.4 Å²	36.4	17%	0.166	19%	0.192	C	C	.	.			trans	-121.3	-170.1	167.6	70.5	26.7	0	0	0	110.1	T47 H48 N216 T217 W640	N45-T47 PolarHBondContact O-N 3.43Å; N45-T47 VanDerWaalsContact O-N 3.13Å; N45-T47 PolarHBondContact OD1-N 3.31Å; N45-T47 PolarHBondContact OD1-OG1 2.89Å; N45-H48 PolarHBondContact N-O 2.99Å; N45-H48 PolarHBondContact OD1-N 2.9Å; N45-H48 PolarHBondContact OD1-O 3.14Å; N45-N216 WeakPolarHBondContact O-CB 3.44Å; N45-T217 WeakPolarHBondContact CA-OG1 3.37Å; N45-T217 WeakPolarHBondContact O-CB 3.34Å; N45-T217 PolarHBondContact O-N 3.22Å; N45-T217 PolarHBondContact O-OG1 3.39Å; N45-W640 HydrophobicContact CB-CD2 4.12Å; N45-W640 HydrophobicContact CB-CE3 4Å; N45-W640 HydrophobicContact CB-CH2 3.99Å; N45-W640 HydrophobicContact CB-CZ2 4.11Å; N45-W640 HydrophobicContact CB-CZ3 3.92Å
46	S	95.6	Very high	94.7	Very high	28 Å²	28	37.7 Å²	37.7	20%	0.196	20%	0.198	C	C	.	.	S	Bend	trans	-59.4	-26.1	-175.9	57.3	0	0	0	0	113.8	Y632 T639	S46-Y632 WeakPolarHBondContact CB-O 3.34Å; S46-T639 WeakPolarHBondContact CB-OG1 3.31Å; S46-T639 PolarHBondContact N-OG1 3.33Å
47	T	94.4	Very high	95.1	Very high	83 Å²	83	34.7 Å²	34.7	51%	0.509	20%	0.2	S	C	.	.	S	Bend	trans	-119.5	-40.2	-169.4	50.8	0	0	0	0	113.6	N45	N45-T47 PolarHBondContact O-N 3.43Å; N45-T47 VanDerWaalsContact O-N 3.13Å; N45-T47 PolarHBondContact OD1-N 3.31Å; N45-T47 PolarHBondContact OD1-OG1 2.89Å
48	H	94.2	Very high	95.3	Very high	128 Å²	128	33.8 Å²	33.8	59%	0.593	20%	0.195	S	C	*	.			trans	-134.8	173.8	-170.9	-56.1	85.9	0	0	0	111.5	N45 T215	N45-H48 PolarHBondContact N-O 2.99Å; N45-H48 PolarHBondContact OD1-N 2.9Å; N45-H48 PolarHBondContact OD1-O 3.14Å; H48-T215 CarbonylContact C-O 3.27Å
49	Q	96	Very high	95.5	Very high	21 Å²	21	33.7 Å²	33.7	10%	0.098	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	152.4	168.1	65.5	-176.9	28.8	0	0	109.9	L43 L44 E165 V214 T215	L43-Q49 CarbonylContact O-C 3.5Å; L43-Q49 WeakPolarHBondContact O-CA 3.47Å; L44-Q49 HydrophobicContact CD2-CB 4.15Å; L44-Q49 HydrophobicContact CG-CB 4.21Å; Q49-E165 HydrophobicContact CG-CG 4.32Å; Q49-E165 PolarHBondContact NE2-OE1 2.95Å; Q49-V214 VanDerWaalsContact OE1-C 3.29Å; Q49-V214 VanDerWaalsContact OE1-CA 3.29Å; Q49-T215 PolarHBondContact N-O 3.15Å
50	I	97.1	Very high	95.6	Very high	8 Å²	8	36.3 Å²	36.3	4%	0.041	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	169	178.9	65.5	173	0	0	0	109.5	R42 L43 S162 Y163 W640	R42-I50 WeakPolarHBondContact CA-O 3.25Å; L43-I50 HydrophobicContact CB-CD1 4.14Å; L43-I50 HydrophobicContact CB-CG1 3.79Å; L43-I50 HydrophobicContact CD1-CD1 4.33Å; L43-I50 PolarHBondContact N-O 3.13Å; L43-I50 PolarHBondContact O-N 3.43Å; I50-S162 WeakPolarHBondContact CD1-O 3.37Å; I50-Y163 HydrophobicContact CD1-CD1 4.15Å; I50-Y163 VanDerWaalsContact CG2-O 3.23Å; I50-Y163 WeakPolarHBondContact CG2-O 3.39Å; I50-W640 HydrophobicContact CD1-CH2 3.5Å; I50-W640 HydrophobicContact CD1-CZ3 3.45Å; I50-W640 VanDerWaalsContact CD1-CZ3 3.45Å; I50-W640 HydrophobicContact CG1-CH2 4.22Å; I50-W640 HydrophobicContact CG1-CZ3 3.85Å
51	G	96.6	Very high	95.5	Very high	6 Å²	6	36.3 Å²	36.3	6%	0.062	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85.7	-154.4	178.9	0	0	0	0	0	112.4	V41 E164 F166	V41-G51 WeakPolarHBondContact O-CA 3.45Å; G51-E164 PolarHBondContact N-O 3.26Å; G51-F166 PolarHBondContact O-N 3Å
52	C	96	Very high	95.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	159.1	-163	-44.8	0	0	0	0	112.1	C40 F166 M211	C40-C52 HydrophobicContact CB-CB 3.62Å; C40-C52 WeakPolarHBondContact CB-SG 3.32Å; C40-C52 WeakPolarHBondContact SG-CB 3.49Å; C40-C52 PolarHBondContact SG-N 3.14Å; C40-C52 CovalentContact SG-SG 2.04Å; C40-C52 PolarHBondContact SG-SG 3.47Å; C52-F166 HydrophobicContact CB-CB 4.36Å; C52-M211 WeakPolarHBondContact O-CG 3.47Å
53	Q	95.3	Very high	95.5	Very high	47 Å²	47	36.7 Å²	36.7	22%	0.22	21%	0.213	C	C	.	.			trans	-147.3	158.5	170.4	69.3	174.7	-11.4	0	0	110.5	R42 F168 P169 M211	R42-Q53 VanDerWaalsContact NH2-CG 3.3Å; Q53-F168 CarbonylContact O-C 3.59Å; Q53-F168 WeakPolarHBondContact O-CA 3.41Å; Q53-P169 WeakPolarHBondContact O-CD 3.45Å; Q53-P169 VanDerWaalsContact O-N 3.11Å; Q53-M211 HydrophobicContact CB-CB 4.07Å; Q53-M211 HydrophobicContact CB-CG 4.02Å
54	S	96.1	Very high	95.3	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.014	21%	0.213	C	C	.	.			trans	-106.7	166.8	159.7	78.6	0	0	0	0	112.8	D59 S209 H210	S54-D59 WeakPolarHBondContact CA-OD2 3.37Å; S54-D59 VanDerWaalsContact CB-OD2 3.24Å; S54-D59 WeakPolarHBondContact CB-OD2 3.39Å; S54-S209 PolarHBondContact N-O 3.3Å; S54-S209 VanDerWaalsContact OG-C 3.24Å; S54-S209 PolarHBondContact OG-N 3.15Å; S54-H210 PolarHBondContact O-ND1 2.94Å; S54-H210 PolarHBondContact OG-N 2.88Å
55	S	94.9	Very high	95.2	Very high	63 Å²	63	37.9 Å²	37.9	44%	0.441	22%	0.219	S	C	.	.			trans	-56.9	158.4	161.1	-57.5	0	0	0	0	111.6	S57 G58 D59	S55-S57 VanDerWaalsContact C-N 3.28Å; S55-S57 PolarHBondContact O-N 3.31Å; S55-G58 WeakPolarHBondContact O-CA 3.3Å; S55-G58 PolarHBondContact O-N 3.3Å; S55-D59 WeakPolarHBondContact CB-OD1 3.41Å; S55-D59 PolarHBondContact N-OD1 3.16Å; S55-D59 PolarHBondContact N-OD2 3.28Å; S55-D59 VanDerWaalsContact N-OD2 3.07Å; S55-D59 PolarHBondContact OG-OD1 3.22Å
56	L	92.3	Very high	95	Very high	145 Å²	145	36.5 Å²	36.5	76%	0.759	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-38.8	-175.3	-179.4	63.8	0	0	0	113.4	G58 H210	L56-G58 VanDerWaalsContact C-N 3.3Å; L56-H210 VanDerWaalsContact CD1-CD2 3.46Å; L56-H210 WeakPolarHBondContact CD1-CD2 3.05Å
57	S	91.9	Very high	94.7	Very high	96 Å²	96	41.3 Å²	41.3	67%	0.671	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	8.5	177.4	54.5	0	0	0	0	113.8	S55 Q206	S55-S57 VanDerWaalsContact C-N 3.28Å; S55-S57 PolarHBondContact O-N 3.31Å; S57-Q206 PolarHBondContact O-NE2 3.16Å
58	G	94	Very high	94.4	Very high	6 Å²	6	39.1 Å²	39.1	6%	0.062	22%	0.219	C	C	.	.			trans	76.8	158.5	-167.5	0	0	0	0	0	113.2	S55 L56 L207 S208	S55-G58 WeakPolarHBondContact O-CA 3.3Å; S55-G58 PolarHBondContact O-N 3.3Å; L56-G58 VanDerWaalsContact C-N 3.3Å; G58-L207 WeakPolarHBondContact CA-O 3.23Å; G58-S208 WeakPolarHBondContact CA-OG 3.26Å
59	D	96.4	Very high	94	Very high	23 Å²	23	37.1 Å²	37.1	12%	0.123	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.6	179.4	-64.1	-41.5	0	0	0	110.1	S54 S55 M85 A109 P169 Q206 L207	S54-D59 WeakPolarHBondContact CA-OD2 3.37Å; S54-D59 VanDerWaalsContact CB-OD2 3.24Å; S54-D59 WeakPolarHBondContact CB-OD2 3.39Å; S55-D59 WeakPolarHBondContact CB-OD1 3.41Å; S55-D59 PolarHBondContact N-OD1 3.16Å; S55-D59 PolarHBondContact N-OD2 3.28Å; S55-D59 VanDerWaalsContact N-OD2 3.07Å; S55-D59 PolarHBondContact OG-OD1 3.22Å; D59-M85 VanDerWaalsContact O-CE 3.31Å; D59-M85 WeakPolarHBondContact O-CE 3.36Å; D59-A109 HydrophobicContact CB-CB 4.22Å; D59-A109 VanDerWaalsContact CB-O 3.22Å; D59-A109 WeakPolarHBondContact CB-O 3.4Å; D59-P169 HydrophobicContact CB-CG 4.33Å; D59-P169 VanDerWaalsContact OD2-CD 3.23Å; D59-P169 WeakPolarHBondContact OD2-CD 3.38Å; D59-Q206 VanDerWaalsContact O-CA 3.23Å; D59-Q206 WeakPolarHBondContact O-CA 3.45Å; D59-L207 PolarHBondContact N-O 3.3Å; D59-L207 PolarHBondContact O-N 3.37Å
60	V	96.6	Very high	93.3	Very high	58 Å²	58	44.3 Å²	44.3	35%	0.352	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131.3	-179.1	-177.1	0	0	0	0	108.4	P83 A109 A204 M205 Q206 F653	V60-P83 WeakPolarHBondContact O-CG 3.42Å; V60-A109 WeakPolarHBondContact O-CB 3.32Å; V60-A204 HydrophobicContact CG1-CB 4.28Å; V60-M205 WeakPolarHBondContact CA-O 3.22Å; V60-Q206 HydrophobicContact CG2-CB 3.95Å; V60-Q206 HydrophobicContact CG2-CG 3.74Å; V60-F653 HydrophobicContact CG1-CE2 4.37Å; V60-F653 HydrophobicContact CG1-CZ 3.69Å; V60-F653 HydrophobicContact CG2-CZ 4.29Å
61	G	96	Very high	92.6	Very high	2 Å²	2	46.6 Å²	46.6	2%	0.021	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	150.3	174.1	0	0	0	0	0	112.8	L63 P83 A204 M205	G61-L63 PolarHBondContact O-N 3.48Å; G61-P83 CarbonylContact C-O 3.47Å; G61-P83 WeakPolarHBondContact CA-O 3.33Å; G61-A204 VanDerWaalsContact O-CA 3.29Å; G61-A204 WeakPolarHBondContact O-CA 3.3Å; G61-A204 WeakPolarHBondContact O-CB 3.5Å; G61-M205 PolarHBondContact N-O 2.85Å; G61-M205 PolarHBondContact O-N 3.24Å
62	V	96.1	Very high	92.2	Very high	18 Å²	18	46.5 Å²	46.5	11%	0.109	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	129	173.1	178.5	0	0	0	0	108.7	H64 N81 P83 Y84 M85 L202	V62-H64 PolarHBondContact O-N 3.23Å; V62-N81 HydrophobicContact CG2-CB 4.28Å; V62-P83 PolarHBondContact N-O 3.41Å; V62-Y84 HydrophobicContact CB-CD1 4.27Å; V62-Y84 HydrophobicContact CB-CE1 4.42Å; V62-Y84 HydrophobicContact CG1-CE1 4.48Å; V62-Y84 CarbonylContact O-C 3.54Å; V62-Y84 WeakPolarHBondContact O-CA 3.39Å; V62-M85 PolarHBondContact O-N 3.01Å; V62-L202 HydrophobicContact CG1-CB 4.27Å; V62-L202 HydrophobicContact CG1-CD1 4.15Å; V62-L202 HydrophobicContact CG2-CD1 4.23Å
63	L	95.8	Very high	91.8	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	133.8	-176.6	-76	179.6	0	0	0	112	G61 M85 I87 I182 Y186 N190 C203 M205 I652	G61-L63 PolarHBondContact O-N 3.48Å; L63-M85 WeakPolarHBondContact CA-O 3.46Å; L63-M85 HydrophobicContact CD2-CB 4.11Å; L63-M85 HydrophobicContact CD2-CG 4.21Å; L63-I87 HydrophobicContact CD1-CD1 4.44Å; L63-I87 HydrophobicContact CD2-CD1 3.53Å; L63-I87 HydrophobicContact CD2-CG1 4.17Å; L63-I87 HydrophobicContact CG-CD1 4.4Å; L63-I182 HydrophobicContact CD1-CG2 3.89Å; L63-I182 HydrophobicContact CD2-CG2 4.48Å; L63-Y186 WeakPolarHBondContact O-CD2 3.32Å; L63-N190 PolarHBondContact N-ND2 2.87Å; L63-N190 PolarHBondContact O-ND2 2.73Å; L63-C203 HydrophobicContact CD1-CB 4.32Å; L63-C203 PolarHBondContact N-O 3.45Å; L63-M205 HydrophobicContact CD1-CB 4.39Å; L63-M205 HydrophobicContact CD2-CB 3.33Å; L63-M205 HydrophobicContact CD2-CE 3.81Å; L63-M205 HydrophobicContact CD2-CG 4.3Å; L63-M205 HydrophobicContact CD2-SD 4.17Å; L63-M205 HydrophobicContact CG-CB 3.91Å; L63-I652 HydrophobicContact CD1-CG2 4.35Å
64	H	94.4	Very high	91.5	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.037	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	116.3	169.9	-171.2	80.1	0	0	0	110.5	V62 F74 V75 Y84 M85 V86 I87	V62-H64 PolarHBondContact O-N 3.23Å; H64-F74 AromaticContact CE1-CD1 3.27Å; H64-F74 WeakPolarHBondContact CE1-CD1 3.43Å; H64-F74 AromaticContact CE1-CE1 3.74Å; H64-F74 AromaticContact CE1-CG 3.92Å; H64-F74 AromaticContact ND1-CD1 3.51Å; H64-F74 AromaticContact ND1-CE1 3.59Å; H64-F74 AromaticContact NE2-CD1 3.88Å; H64-V75 HydrophobicContact CB-CG2 4.19Å; H64-V75 WeakPolarHBondContact CD2-CG2 3.49Å; H64-Y84 HydrophobicContact CB-CD1 4.18Å; H64-M85 PolarHBondContact N-O 3.2Å; H64-V86 WeakPolarHBondContact O-CA 3.38Å; H64-I87 PolarHBondContact O-N 2.86Å
65	V	93.9	Very high	91.3	Very high	21 Å²	21	50.8 Å²	50.8	13%	0.127	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	123.1	173.4	178.4	0	0	0	0	108.7	I87 Y186	V65-I87 HydrophobicContact CG2-CB 4.47Å; V65-I87 HydrophobicContact CG2-CD1 4.17Å; V65-Y186 HydrophobicContact CB-CD1 3.9Å; V65-Y186 HydrophobicContact CB-CD2 4.5Å; V65-Y186 HydrophobicContact CB-CE1 3.97Å; V65-Y186 HydrophobicContact CB-CG 4.18Å; V65-Y186 HydrophobicContact CG2-CD1 3.62Å; V65-Y186 HydrophobicContact CG2-CD2 4.13Å; V65-Y186 HydrophobicContact CG2-CE1 4.21Å; V65-Y186 HydrophobicContact CG2-CG 3.57Å
66	L	92.3	Very high	91.2	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.016	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	105	178	-169.4	74.1	0	0	0	109.2	S68 N71 L72 V86 I87 M88 L92 V97	L66-S68 WeakPolarHBondContact CD1-O 3.48Å; L66-N71 HydrophobicContact CD1-CB 3.86Å; L66-L72 HydrophobicContact CD1-CB 4.35Å; L66-L72 HydrophobicContact CD1-CD1 4.1Å; L66-L72 HydrophobicContact CD2-CD1 4.11Å; L66-V86 HydrophobicContact CB-CG1 3.92Å; L66-V86 HydrophobicContact CD2-CG1 4.4Å; L66-I87 PolarHBondContact N-O 3.1Å; L66-M88 HydrophobicContact CB-CB 4.21Å; L66-M88 HydrophobicContact CD2-CB 4.29Å; L66-M88 HydrophobicContact CD2-CE 4.22Å; L66-L92 HydrophobicContact CB-CD1 4.46Å; L66-L92 HydrophobicContact CD2-CD1 4.09Å; L66-L92 HydrophobicContact CG-CD1 4.07Å; L66-L92 WeakPolarHBondContact O-CD1 3.33Å; L66-V97 HydrophobicContact CD2-CG1 4.17Å
67	E	87.6	Confident	91	Very high	129 Å²	129	51.5 Å²	51.5	60%	0.603	26%	0.261	S	S	*	.			trans	-82.4	-31.8	178.4	-63.1	178.1	168.6	0	0	112.2
68	S	88.8	Confident	90.8	Very high	36 Å²	36	50.6 Å²	50.6	25%	0.252	26%	0.255	S	S	.	.	S	Bend	trans	-153	167.7	-178.5	77.9	0	0	0	0	111.7	L66 E70 N71	L66-S68 WeakPolarHBondContact CD1-O 3.48Å; S68-E70 PolarHBondContact O-N 2.91Å; S68-E70 PolarHBondContact OG-N 3.19Å; S68-N71 PolarHBondContact O-N 2.84Å; S68-N71 PolarHBondContact OG-OD1 2.94Å
69	E	86.5	Confident	90.5	Very high	86 Å²	86	50.6 Å²	50.6	40%	0.402	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-63.7	-24.8	174.2	-169.7	171	179	0	0	112.7	N71 L72 V97 K100	E69-N71 VanDerWaalsContact C-N 3.29Å; E69-N71 PolarHBondContact O-N 3.2Å; E69-L72 WeakPolarHBondContact O-CB 3.1Å; E69-L72 PolarHBondContact O-N 2.95Å; E69-V97 HydrophobicContact CG-CG2 4.32Å; E69-K100 IonicContact OE1-NZ 3.93Å; E69-K100 PolarHBondContact OE1-NZ 2.92Å
70	E	80.5	Confident	90.1	Very high	173 Å²	173	57.7 Å²	57.7	81%	0.808	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-68.5	-29.9	177.9	-60.1	-177	177.2	0	0	112.1	S68 L72	S68-E70 PolarHBondContact O-N 2.91Å; S68-E70 PolarHBondContact OG-N 3.19Å; E70-L72 PolarHBondContact O-N 3.04Å
71	N	82	Confident	89.8	Confident	56 Å²	56	56.5 Å²	56.5	30%	0.299	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-72.1	-10.7	176.4	-65.5	91.9	0	0	0	112.9	L66 S68 E69 D73 F74	L66-N71 HydrophobicContact CD1-CB 3.86Å; S68-N71 PolarHBondContact O-N 2.84Å; S68-N71 PolarHBondContact OG-OD1 2.94Å; E69-N71 VanDerWaalsContact C-N 3.29Å; E69-N71 PolarHBondContact O-N 3.2Å; N71-D73 VanDerWaalsContact C-N 3.28Å; N71-D73 PolarHBondContact O-N 2.96Å; N71-F74 VanDerWaalsContact O-CB 3.31Å; N71-F74 WeakPolarHBondContact O-CB 3.35Å; N71-F74 PolarHBondContact O-N 3.46Å; N71-F74 VanDerWaalsContact O-N 3.11Å
72	L	88.6	Confident	89.6	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-63.9	-34.1	-177.7	-161.9	70.2	0	0	0	112.2	L66 E69 E70 F74 V75 L76 V97 K100 L101	L66-L72 HydrophobicContact CD1-CB 4.35Å; L66-L72 HydrophobicContact CD1-CD1 4.1Å; L66-L72 HydrophobicContact CD2-CD1 4.11Å; E69-L72 WeakPolarHBondContact O-CB 3.1Å; E69-L72 PolarHBondContact O-N 2.95Å; E70-L72 PolarHBondContact O-N 3.04Å; L72-F74 PolarHBondContact O-N 3.03Å; L72-V75 PolarHBondContact O-N 2.76Å; L72-V75 VanDerWaalsContact O-N 3.16Å; L72-L76 HydrophobicContact CD2-CD1 3.86Å; L72-L76 HydrophobicContact CG-CD1 3.69Å; L72-L76 HydrophobicContact CG-CG 4.13Å; L72-L76 WeakPolarHBondContact O-CB 3.5Å; L72-L76 VanDerWaalsContact O-CG 3.29Å; L72-L76 WeakPolarHBondContact O-CG 3.39Å; L72-L76 PolarHBondContact O-N 2.83Å; L72-V97 HydrophobicContact CD1-CG1 4.19Å; L72-K100 HydrophobicContact CD2-CB 3.62Å; L72-K100 HydrophobicContact CD2-CD 3.57Å; L72-K100 HydrophobicContact CD2-CG 4.26Å; L72-L101 HydrophobicContact CD1-CD1 4.49Å; L72-L101 HydrophobicContact CD1-CD2 3.61Å; L72-L101 HydrophobicContact CD1-CG 3.97Å
73	D	88.2	Confident	89.6	Confident	92 Å²	92	61.2 Å²	61.2	49%	0.492	30%	0.302	S	S	.	.	H	α-helix	trans	-61.1	-26.2	177.1	-87.8	-13.6	0	0	0	112.6	N71 R77 S78	N71-D73 VanDerWaalsContact C-N 3.28Å; N71-D73 PolarHBondContact O-N 2.96Å; D73-R77 WeakPolarHBondContact O-CA 3.42Å; D73-R77 WeakPolarHBondContact O-CB 3.26Å; D73-R77 PolarHBondContact O-N 2.87Å; D73-S78 PolarHBondContact O-N 3.29Å; D73-S78 VanDerWaalsContact O-N 3.14Å
74	F	89.2	Confident	89.6	Confident	47 Å²	47	61.5 Å²	61.5	21%	0.206	30%	0.303	C	S	.	.	I	π-helix	trans	-63	-51.9	174.3	-178.7	-89.4	0	0	0	111.5	H64 N71 L72 S78 G79 Y84	H64-F74 AromaticContact CE1-CD1 3.27Å; H64-F74 WeakPolarHBondContact CE1-CD1 3.43Å; H64-F74 AromaticContact CE1-CE1 3.74Å; H64-F74 AromaticContact CE1-CG 3.92Å; H64-F74 AromaticContact ND1-CD1 3.51Å; H64-F74 AromaticContact ND1-CE1 3.59Å; H64-F74 AromaticContact NE2-CD1 3.88Å; N71-F74 VanDerWaalsContact O-CB 3.31Å; N71-F74 WeakPolarHBondContact O-CB 3.35Å; N71-F74 PolarHBondContact O-N 3.46Å; N71-F74 VanDerWaalsContact O-N 3.11Å; L72-F74 PolarHBondContact O-N 3.03Å; F74-S78 WeakPolarHBondContact CA-OG 3.28Å; F74-S78 PolarHBondContact O-N 3.42Å; F74-G79 WeakPolarHBondContact O-CA 3.29Å; F74-G79 PolarHBondContact O-N 3.3Å; F74-Y84 AromaticContact CE1-CE1 3.93Å; F74-Y84 HydrophobicContact CE1-CE1 3.93Å; F74-Y84 AromaticContact CE1-CZ 3.99Å
75	V	91.3	Very high	89.7	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.302	C	S	.	.	I	π-helix	trans	-62.9	-47.8	179.1	177.5	0	0	0	0	110	H64 L72 Y84 V86 L101 R107 V108	H64-V75 HydrophobicContact CB-CG2 4.19Å; H64-V75 WeakPolarHBondContact CD2-CG2 3.49Å; L72-V75 PolarHBondContact O-N 2.76Å; L72-V75 VanDerWaalsContact O-N 3.16Å; V75-Y84 HydrophobicContact CG1-CD2 4.23Å; V75-Y84 HydrophobicContact CG1-CG 4.23Å; V75-V86 HydrophobicContact CG1-CG2 3.83Å; V75-V86 HydrophobicContact CG2-CG2 4.13Å; V75-L101 HydrophobicContact CG1-CD2 4.38Å; V75-R107 PolarHBondContact O-NE 2.85Å; V75-R107 PolarHBondContact O-NH2 3.28Å; V75-V108 HydrophobicContact CG1-CG2 3.82Å
76	L	92.1	Very high	89.8	Confident	29 Å²	29	60.1 Å²	60.1	15%	0.152	30%	0.296	C	S	.	.	I	π-helix	trans	-74.9	-29.2	-171.9	-63.3	179.4	0	0	0	114	L72 K100 L101 R107	L72-L76 HydrophobicContact CD2-CD1 3.86Å; L72-L76 HydrophobicContact CG-CD1 3.69Å; L72-L76 HydrophobicContact CG-CG 4.13Å; L72-L76 WeakPolarHBondContact O-CB 3.5Å; L72-L76 VanDerWaalsContact O-CG 3.29Å; L72-L76 WeakPolarHBondContact O-CG 3.39Å; L72-L76 PolarHBondContact O-N 2.83Å; L76-K100 HydrophobicContact CD1-CB 4.24Å; L76-L101 HydrophobicContact CD2-CD2 4.3Å; L76-R107 WeakPolarHBondContact O-CD 3.23Å; L76-R107 PolarHBondContact O-NE 3.34Å
77	R	89.3	Confident	89.9	Confident	193 Å²	193	60.1 Å²	60.1	73%	0.728	30%	0.296	S	S	*	.	I	π-helix	trans	-137.5	-56.7	-170.2	-61.7	179.9	178.2	178.6	0.3	114.5	D73	D73-R77 WeakPolarHBondContact O-CA 3.42Å; D73-R77 WeakPolarHBondContact O-CB 3.26Å; D73-R77 PolarHBondContact O-N 2.87Å
78	S	87.3	Confident	90.3	Very high	78 Å²	78	54 Å²	54	55%	0.545	27%	0.267	S	S	.	.	I	π-helix	trans	-87.3	-18.7	-164.2	71.8	0	0	0	0	115	D73 F74	D73-S78 PolarHBondContact O-N 3.29Å; D73-S78 VanDerWaalsContact O-N 3.14Å; F74-S78 WeakPolarHBondContact CA-OG 3.28Å; F74-S78 PolarHBondContact O-N 3.42Å
79	G	87.8	Confident	90.4	Very high	5 Å²	5	55.5 Å²	55.5	5%	0.052	27%	0.27	C	S	.	.			trans	-63.5	136.6	-180	0	0	0	0	0	112.7	F74 Y84 R107	F74-G79 WeakPolarHBondContact O-CA 3.29Å; F74-G79 PolarHBondContact O-N 3.3Å; G79-Y84 WeakPolarHBondContact CA-OH 3.44Å; G79-R107 PolarHBondContact O-NH2 3.16Å
80	R	88.6	Confident	90.6	Very high	172 Å²	172	52 Å²	52	65%	0.649	26%	0.255	S	S	*	.	S	Bend	trans	-90	-13.6	-175.4	-69	-169.8	176.6	177.4	4.1	115.2	P82 Y84 H197	R80-P82 VanDerWaalsContact O-CD 3.23Å; R80-P82 WeakPolarHBondContact O-CD 3.17Å; R80-Y84 PolarHBondContact N-OH 2.9Å; R80-Y84 VanDerWaalsContact N-OH 3.14Å; R80-H197 PolarHBondContact NE-CE1 3.45Å; R80-H197 VanDerWaalsContact NE-CE1 3.26Å; R80-H197 PolarHBondContact NE-NE2 2.78Å; R80-H197 PolarHBondContact NH1-CD2 2.62Å; R80-H197 VanDerWaalsContact NH1-CD2 3.25Å; R80-H197 PolarHBondContact NH1-NE2 3.18Å; R80-H197 VanDerWaalsContact NH1-NE2 3.2Å; R80-H197 PolarHBondContact NH2-NE2 3.02Å; R80-H197 VanDerWaalsContact NH2-NE2 3.1Å
81	N	90.4	Very high	91.1	Very high	34 Å²	34	48 Å²	48	18%	0.182	25%	0.246	C	C	.	.	S	Bend	trans	-120.3	57.1	-170.8	-53.5	-35.2	0	0	0	111.7	V62 Y84 L202	V62-N81 HydrophobicContact CG2-CB 4.28Å; N81-Y84 PolarHBondContact N-OH 2.92Å; N81-L202 HydrophobicContact CB-CD1 4.26Å; N81-L202 VanDerWaalsContact ND2-CD1 3.35Å; N81-L202 WeakPolarHBondContact ND2-CD1 3.3Å
82	P	91.7	Very high	91.6	Very high	59 Å²	59	46.7 Å²	46.7	38%	0.383	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-67.2	154	169.6	32.6	-34.8	0	0	0	110.4	R80 Y84 R107	R80-P82 VanDerWaalsContact O-CD 3.23Å; R80-P82 WeakPolarHBondContact O-CD 3.17Å; P82-Y84 HydrophobicContact CB-CD2 4.45Å; P82-Y84 HydrophobicContact CB-CE2 4.36Å; P82-R107 HydrophobicContact CB-CB 4.37Å; P82-R107 HydrophobicContact CB-CG 4.3Å
83	P	94.9	Very high	91.9	Very high	60 Å²	60	46.6 Å²	46.6	39%	0.39	24%	0.238	S	C	.	.	S	Bend	cis	-82.4	152.4	-0.5	34.9	-37	0	0	0	113.2	V60 G61 V62 R107 A109	V60-P83 WeakPolarHBondContact O-CG 3.42Å; G61-P83 CarbonylContact C-O 3.47Å; G61-P83 WeakPolarHBondContact CA-O 3.33Å; V62-P83 PolarHBondContact N-O 3.41Å; P83-R107 CarbonylContact C-O 3.56Å; P83-R107 WeakPolarHBondContact CA-O 3.12Å; P83-A109 HydrophobicContact CB-CB 3.8Å; P83-A109 HydrophobicContact CG-CB 4.12Å
84	Y	95.6	Very high	92.2	Very high	7 Å²	7	44.7 Å²	44.7	3%	0.027	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	145.7	-179.6	-72	-76.8	0	0	0	112.1	V62 H64 F74 V75 G79 R80 N81 P82 R107 V108 A109	V62-Y84 HydrophobicContact CB-CD1 4.27Å; V62-Y84 HydrophobicContact CB-CE1 4.42Å; V62-Y84 HydrophobicContact CG1-CE1 4.48Å; V62-Y84 CarbonylContact O-C 3.54Å; V62-Y84 WeakPolarHBondContact O-CA 3.39Å; H64-Y84 HydrophobicContact CB-CD1 4.18Å; F74-Y84 AromaticContact CE1-CE1 3.93Å; F74-Y84 HydrophobicContact CE1-CE1 3.93Å; F74-Y84 AromaticContact CE1-CZ 3.99Å; V75-Y84 HydrophobicContact CG1-CD2 4.23Å; V75-Y84 HydrophobicContact CG1-CG 4.23Å; G79-Y84 WeakPolarHBondContact CA-OH 3.44Å; R80-Y84 PolarHBondContact N-OH 2.9Å; R80-Y84 VanDerWaalsContact N-OH 3.14Å; N81-Y84 PolarHBondContact N-OH 2.92Å; P82-Y84 HydrophobicContact CB-CD2 4.45Å; P82-Y84 HydrophobicContact CB-CE2 4.36Å; Y84-R107 PolarHBondContact N-O 2.97Å; Y84-V108 CarbonylContact O-C 3.54Å; Y84-V108 WeakPolarHBondContact O-CA 3.22Å; Y84-A109 PolarHBondContact O-N 2.74Å
85	M	96.6	Very high	92.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	113	169.8	-169.3	75.7	72.6	0	0	108.4	D59 V62 L63 H64 A109 G110 M205 L207	D59-M85 VanDerWaalsContact O-CE 3.31Å; D59-M85 WeakPolarHBondContact O-CE 3.36Å; V62-M85 PolarHBondContact O-N 3.01Å; L63-M85 WeakPolarHBondContact CA-O 3.46Å; L63-M85 HydrophobicContact CD2-CB 4.11Å; L63-M85 HydrophobicContact CD2-CG 4.21Å; H64-M85 PolarHBondContact N-O 3.2Å; M85-A109 HydrophobicContact CE-CB 4.38Å; M85-G110 WeakPolarHBondContact SD-CA 3.36Å; M85-M205 HydrophobicContact CB-CB 4.4Å; M85-M205 HydrophobicContact CB-CE 4.4Å; M85-M205 WeakPolarHBondContact CE-O 3.5Å; M85-M205 HydrophobicContact CG-CB 3.96Å; M85-M205 HydrophobicContact CG-CE 3.17Å; M85-M205 HydrophobicContact CG-CG 4.18Å; M85-M205 HydrophobicContact CG-SD 4.49Å; M85-M205 HydrophobicContact SD-CE 4.09Å; M85-L207 HydrophobicContact CE-CB 4.29Å; M85-L207 HydrophobicContact CE-CD1 4.16Å; M85-L207 HydrophobicContact CE-CG 3.91Å; M85-L207 HydrophobicContact SD-CD1 3.61Å; M85-L207 HydrophobicContact SD-CG 4.01Å
86	V	95.9	Very high	92.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	129	-170.1	-176.6	0	0	0	0	110.1	H64 L66 V75 M88 L101 V108 G110 V111 A112	H64-V86 WeakPolarHBondContact O-CA 3.38Å; L66-V86 HydrophobicContact CB-CG1 3.92Å; L66-V86 HydrophobicContact CD2-CG1 4.4Å; V75-V86 HydrophobicContact CG1-CG2 3.83Å; V75-V86 HydrophobicContact CG2-CG2 4.13Å; V86-M88 HydrophobicContact CG1-CE 3.75Å; V86-L101 HydrophobicContact CG2-CD2 4.13Å; V86-V108 HydrophobicContact CG2-CG1 4.46Å; V86-G110 PolarHBondContact N-O 2.89Å; V86-V111 HydrophobicContact CB-CG2 4.4Å; V86-V111 CarbonylContact O-C 3.56Å; V86-V111 VanDerWaalsContact O-CA 3.28Å; V86-V111 WeakPolarHBondContact O-CA 3.47Å; V86-A112 PolarHBondContact O-N 3.33Å
87	I	95.7	Very high	92.8	Very high	3 Å²	3	48 Å²	48	2%	0.015	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.5	171	-58.2	148	0	0	0	107.8	L63 H64 V65 L66 A112 V114 M173 I182 M205	L63-I87 HydrophobicContact CD1-CD1 4.44Å; L63-I87 HydrophobicContact CD2-CD1 3.53Å; L63-I87 HydrophobicContact CD2-CG1 4.17Å; L63-I87 HydrophobicContact CG-CD1 4.4Å; H64-I87 PolarHBondContact O-N 2.86Å; V65-I87 HydrophobicContact CG2-CB 4.47Å; V65-I87 HydrophobicContact CG2-CD1 4.17Å; L66-I87 PolarHBondContact N-O 3.1Å; I87-A112 VanDerWaalsContact CA-O 3.32Å; I87-A112 WeakPolarHBondContact CA-O 3.2Å; I87-A112 HydrophobicContact CG1-CB 4.28Å; I87-V114 HydrophobicContact CG2-CG2 3.95Å; I87-M173 HydrophobicContact CG2-CE 4.38Å; I87-I182 HydrophobicContact CD1-CG2 3.12Å; I87-I182 HydrophobicContact CG1-CG2 4.19Å; I87-M205 HydrophobicContact CG1-CE 4.18Å
88	M	94.9	Very high	93.1	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	148.8	-179.3	68.4	-175	65.5	0	0	111.4	L66 V86 L92 F93 V97 M98 L101 V111 A112 V113 V114	L66-M88 HydrophobicContact CB-CB 4.21Å; L66-M88 HydrophobicContact CD2-CB 4.29Å; L66-M88 HydrophobicContact CD2-CE 4.22Å; V86-M88 HydrophobicContact CG1-CE 3.75Å; M88-L92 HydrophobicContact CB-CB 4.2Å; M88-F93 HydrophobicContact SD-CB 4.31Å; M88-F93 HydrophobicContact SD-CD2 4.33Å; M88-V97 HydrophobicContact CE-CG1 4.27Å; M88-V97 HydrophobicContact SD-CG1 4.5Å; M88-M98 HydrophobicContact CE-SD 4.22Å; M88-M98 HydrophobicContact SD-SD 4.22Å; M88-L101 HydrophobicContact CE-CD1 3.59Å; M88-V111 HydrophobicContact CE-CG1 3.52Å; M88-V111 HydrophobicContact CE-CG2 4.48Å; M88-V111 HydrophobicContact CG-CG1 4.38Å; M88-V111 HydrophobicContact SD-CG1 4.15Å; M88-A112 PolarHBondContact N-O 3.01Å; M88-V113 HydrophobicContact CG-CG2 4.28Å; M88-V113 WeakPolarHBondContact O-CA 3.21Å; M88-V114 PolarHBondContact O-N 3.29Å
89	E	92.4	Very high	93.5	Very high	67 Å²	67	37.1 Å²	37.1	31%	0.313	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	153.1	166.6	-58.9	-57.3	151.8	0	0	110.2	S91 L92 F93 R183	E89-S91 PolarHBondContact O-N 2.89Å; E89-S91 VanDerWaalsContact O-N 3.08Å; E89-L92 PolarHBondContact O-N 2.69Å; E89-F93 PolarHBondContact O-N 2.94Å; E89-R183 IonicContact OE1-CZ 2.66Å; E89-R183 IonicContact OE1-NE 3.55Å; E89-R183 IonicContact OE1-NH2 2.7Å; E89-R183 PolarHBondContact OE1-NH2 3.39Å; E89-R183 IonicContact OE2-NH2 3.61Å
90	S	90.3	Very high	93.8	Very high	11 Å²	11	41.1 Å²	41.1	8%	0.077	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-21.1	179	-72.4	0	0	0	0	114.6	L92 F93 V113 V114 P116 M444	S90-L92 VanDerWaalsContact C-N 3.26Å; S90-L92 PolarHBondContact O-N 3.08Å; S90-F93 WeakPolarHBondContact O-CB 3.2Å; S90-F93 PolarHBondContact O-N 3.05Å; S90-V113 WeakPolarHBondContact OG-CG1 2.98Å; S90-V114 WeakPolarHBondContact CB-O 3.36Å; S90-V114 PolarHBondContact N-O 3.11Å; S90-V114 VanDerWaalsContact N-O 3.13Å; S90-V114 PolarHBondContact OG-O 3.24Å; S90-P116 WeakPolarHBondContact OG-CD 3.43Å; S90-M444 WeakPolarHBondContact OG-CE 3.49Å
91	S	90.5	Very high	94.1	Very high	91 Å²	91	32.9 Å²	32.9	64%	0.636	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-28.4	173	56.8	0	0	0	0	113.2	E89	E89-S91 PolarHBondContact O-N 2.89Å; E89-S91 VanDerWaalsContact O-N 3.08Å
92	L	93.3	Very high	94.3	Very high	28 Å²	28	33.5 Å²	33.5	15%	0.147	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-10.6	176.8	-63.9	175.9	0	0	0	112.4	L66 M88 E89 S90 T94 V97	L66-L92 HydrophobicContact CB-CD1 4.46Å; L66-L92 HydrophobicContact CD2-CD1 4.09Å; L66-L92 HydrophobicContact CG-CD1 4.07Å; L66-L92 WeakPolarHBondContact O-CD1 3.33Å; M88-L92 HydrophobicContact CB-CB 4.2Å; E89-L92 PolarHBondContact O-N 2.69Å; S90-L92 VanDerWaalsContact C-N 3.26Å; S90-L92 PolarHBondContact O-N 3.08Å; L92-T94 PolarHBondContact O-N 3.33Å; L92-V97 WeakPolarHBondContact O-CB 3.35Å
93	F	94.8	Very high	94.3	Very high	2 Å²	2	37 Å²	37	1%	0.009	20%	0.199	C	C	.	.			trans	-74	69.9	176.2	-174.6	-120.2	0	0	0	111.3	M88 E89 S90 M98 V113 F124 L161 I170 F276 F277	M88-F93 HydrophobicContact SD-CB 4.31Å; M88-F93 HydrophobicContact SD-CD2 4.33Å; E89-F93 PolarHBondContact O-N 2.94Å; S90-F93 WeakPolarHBondContact O-CB 3.2Å; S90-F93 PolarHBondContact O-N 3.05Å; F93-M98 HydrophobicContact CD2-CG 3.83Å; F93-M98 HydrophobicContact CD2-SD 3.72Å; F93-M98 HydrophobicContact CE2-CE 4.19Å; F93-M98 HydrophobicContact CE2-CG 3.76Å; F93-M98 HydrophobicContact CE2-SD 3.76Å; F93-V113 HydrophobicContact CB-CG1 3.88Å; F93-V113 HydrophobicContact CB-CG2 4.35Å; F93-V113 HydrophobicContact CD1-CG1 4.37Å; F93-V113 HydrophobicContact CD2-CG1 4.49Å; F93-V113 HydrophobicContact CD2-CG2 3.56Å; F93-V113 HydrophobicContact CE2-CG2 3.94Å; F93-V113 HydrophobicContact CG-CG1 4.01Å; F93-V113 HydrophobicContact CG-CG2 3.93Å; F93-F124 AromaticContact CD1-CE1 4Å; F93-F124 HydrophobicContact CD1-CE1 4Å; F93-F124 HydrophobicContact CD1-CE2 4.36Å; F93-F124 AromaticContact CD1-CZ 3.61Å; F93-F124 HydrophobicContact CD1-CZ 3.61Å; F93-F124 AromaticContact CE1-CE1 3.97Å; F93-F124 HydrophobicContact CE1-CE1 3.97Å; F93-F124 AromaticContact CE1-CZ 3.65Å; F93-F124 HydrophobicContact CE1-CZ 3.65Å; F93-F124 WeakPolarHBondContact O-CE2 3.23Å; F93-L161 HydrophobicContact CD1-CD2 4.49Å; F93-L161 HydrophobicContact CE1-CD2 3.83Å; F93-L161 HydrophobicContact CE2-CD2 3.86Å; F93-L161 HydrophobicContact CZ-CD2 3.47Å; F93-L161 VanDerWaalsContact CZ-CD2 3.47Å; F93-I170 HydrophobicContact CE2-CG2 4.45Å; F93-F276 HydrophobicContact CE1-CD1 4.3Å; F93-F276 HydrophobicContact CE1-CG 4.27Å; F93-F276 HydrophobicContact CE2-CE1 4.41Å; F93-F276 AromaticContact CZ-CD1 3.69Å; F93-F276 HydrophobicContact CZ-CD1 3.69Å; F93-F276 HydrophobicContact CZ-CD2 4.17Å; F93-F276 AromaticContact CZ-CE1 3.78Å; F93-F276 HydrophobicContact CZ-CE1 3.78Å; F93-F276 HydrophobicContact CZ-CE2 4.27Å; F93-F276 AromaticContact CZ-CG 3.89Å; F93-F276 HydrophobicContact CZ-CG 3.89Å; F93-F276 HydrophobicContact CZ-CZ 4.08Å; F93-F277 HydrophobicContact CE1-CE2 4.46Å; F93-F277 HydrophobicContact CZ-CZ 4.48Å
94	T	94	Very high	93.7	Very high	51 Å²	51	34.9 Å²	34.9	31%	0.313	19%	0.189	S	C	.	.			trans	-115.1	157.5	-179.2	69.1	0	0	0	0	110.9	L92 S96 V97 M98	L92-T94 PolarHBondContact O-N 3.33Å; T94-S96 PolarHBondContact O-N 3.2Å; T94-V97 PolarHBondContact O-N 3.37Å; T94-V97 WeakPolarHBondContact OG1-CG2 3.31Å; T94-V97 PolarHBondContact OG1-N 3.47Å; T94-M98 WeakPolarHBondContact O-CG 3.39Å; T94-M98 PolarHBondContact O-N 2.88Å
95	R	94.8	Very high	92.4	Very high	84 Å²	84	37.8 Å²	37.8	32%	0.317	21%	0.21	S	C	.	.	H	α-helix	trans	-55.6	-39.5	175.1	-174.2	-174.4	-176	75.1	9.7	112.4	M99 N159 G160 E164	R95-M99 HydrophobicContact CG-CG 3.94Å; R95-M99 WeakPolarHBondContact O-CB 3.49Å; R95-M99 WeakPolarHBondContact O-CG 3.31Å; R95-M99 PolarHBondContact O-N 3.14Å; R95-N159 HydrophobicContact CB-CB 4.16Å; R95-N159 WeakPolarHBondContact CD-O 3.26Å; R95-N159 PolarHBondContact NE-O 2.96Å; R95-N159 PolarHBondContact NH1-O 3.23Å; R95-G160 PolarHBondContact NH1-O 3.45Å; R95-E164 IonicContact CZ-OE1 2.75Å; R95-E164 IonicContact NH1-OE1 3.37Å; R95-E164 PolarHBondContact NH1-OE1 2.87Å; R95-E164 IonicContact NH2-OE1 2.67Å; R95-E164 PolarHBondContact NH2-OE1 3.26Å
96	S	94.3	Very high	91.8	Very high	60 Å²	60	40.9 Å²	40.9	42%	0.42	24%	0.242	S	C	.	.	H	α-helix	trans	-56.9	-53.5	178.8	177	0	0	0	0	111.4	T94 K100	T94-S96 PolarHBondContact O-N 3.2Å; S96-K100 WeakPolarHBondContact O-CG 3.48Å; S96-K100 PolarHBondContact O-N 3.49Å; S96-K100 VanDerWaalsContact O-N 3.11Å
97	V	95.1	Very high	91.7	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.012	25%	0.253	C	S	.	.	H	α-helix	trans	-64.8	-47	-178.6	174.5	0	0	0	0	110.8	L66 E69 L72 M88 L92 T94 M99 K100 L101	L66-V97 HydrophobicContact CD2-CG1 4.17Å; E69-V97 HydrophobicContact CG-CG2 4.32Å; L72-V97 HydrophobicContact CD1-CG1 4.19Å; M88-V97 HydrophobicContact CE-CG1 4.27Å; M88-V97 HydrophobicContact SD-CG1 4.5Å; L92-V97 WeakPolarHBondContact O-CB 3.35Å; T94-V97 PolarHBondContact O-N 3.37Å; T94-V97 WeakPolarHBondContact OG1-CG2 3.31Å; T94-V97 PolarHBondContact OG1-N 3.47Å; V97-M99 PolarHBondContact O-N 2.93Å; V97-K100 WeakPolarHBondContact O-CB 3.11Å; V97-K100 PolarHBondContact O-N 2.73Å; V97-L101 HydrophobicContact CG1-CD1 4.12Å; V97-L101 WeakPolarHBondContact O-CG 3.36Å; V97-L101 PolarHBondContact O-N 3.37Å
98	M	96	Very high	91.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.4	-37.9	-178.3	-66.9	-53.6	-57.6	0	0	113	M88 F93 T94 L101 K102 V111 L161 F166 F168 I170	M88-M98 HydrophobicContact CE-SD 4.22Å; M88-M98 HydrophobicContact SD-SD 4.22Å; F93-M98 HydrophobicContact CD2-CG 3.83Å; F93-M98 HydrophobicContact CD2-SD 3.72Å; F93-M98 HydrophobicContact CE2-CE 4.19Å; F93-M98 HydrophobicContact CE2-CG 3.76Å; F93-M98 HydrophobicContact CE2-SD 3.76Å; T94-M98 WeakPolarHBondContact O-CG 3.39Å; T94-M98 PolarHBondContact O-N 2.88Å; M98-L101 PolarHBondContact O-N 2.94Å; M98-L101 HydrophobicContact SD-CD1 4.09Å; M98-K102 WeakPolarHBondContact O-CB 3.21Å; M98-K102 PolarHBondContact O-N 3Å; M98-V111 HydrophobicContact CE-CG2 4.2Å; M98-V111 HydrophobicContact SD-CG1 4.47Å; M98-L161 HydrophobicContact CB-CD1 3.78Å; M98-L161 HydrophobicContact CG-CD1 4.16Å; M98-L161 HydrophobicContact CG-CD2 4.22Å; M98-F166 HydrophobicContact CB-CE1 4.18Å; M98-F166 HydrophobicContact CB-CZ 4.2Å; M98-F166 HydrophobicContact CE-CD1 4.41Å; M98-F166 HydrophobicContact CE-CE1 3.93Å; M98-F166 HydrophobicContact CE-CZ 4.3Å; M98-F168 HydrophobicContact CE-CE2 4.21Å; M98-F168 HydrophobicContact CE-CZ 4.48Å; M98-I170 HydrophobicContact CE-CD1 3.33Å; M98-I170 HydrophobicContact CE-CG1 4.2Å
99	M	95.7	Very high	91.7	Very high	42 Å²	42	44.5 Å²	44.5	21%	0.207	26%	0.259	C	S	.	.	H	α-helix	trans	-70.6	-33.6	175.5	-66.9	-56.1	-60.9	0	0	112.3	R95 V97 K102 N103 E164	R95-M99 HydrophobicContact CG-CG 3.94Å; R95-M99 WeakPolarHBondContact O-CB 3.49Å; R95-M99 WeakPolarHBondContact O-CG 3.31Å; R95-M99 PolarHBondContact O-N 3.14Å; V97-M99 PolarHBondContact O-N 2.93Å; M99-K102 HydrophobicContact CE-CD 4.03Å; M99-K102 PolarHBondContact O-N 3.37Å; M99-K102 HydrophobicContact SD-CD 4.11Å; M99-N103 WeakPolarHBondContact O-CB 3.18Å; M99-N103 PolarHBondContact O-N 2.97Å; M99-N103 PolarHBondContact O-ND2 2.75Å; M99-E164 HydrophobicContact SD-CG 4.04Å
100	K	94.8	Very high	91.9	Very high	89 Å²	89	41.3 Å²	41.3	39%	0.387	24%	0.244	S	C	.	.	H	α-helix	trans	-64.6	-41.6	171.6	-73.4	176.9	-177.1	-178.8	0	111.5	E69 L72 L76 S96 V97 N103 G104	E69-K100 IonicContact OE1-NZ 3.93Å; E69-K100 PolarHBondContact OE1-NZ 2.92Å; L72-K100 HydrophobicContact CD2-CB 3.62Å; L72-K100 HydrophobicContact CD2-CD 3.57Å; L72-K100 HydrophobicContact CD2-CG 4.26Å; L76-K100 HydrophobicContact CD1-CB 4.24Å; S96-K100 WeakPolarHBondContact O-CG 3.48Å; S96-K100 PolarHBondContact O-N 3.49Å; S96-K100 VanDerWaalsContact O-N 3.11Å; V97-K100 WeakPolarHBondContact O-CB 3.11Å; V97-K100 PolarHBondContact O-N 2.73Å; K100-N103 PolarHBondContact O-N 3.17Å; K100-G104 PolarHBondContact O-N 3.21Å
101	L	94.9	Very high	92.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.8	-45.4	174.3	-70.4	171.3	0	0	0	112	L72 V75 L76 V86 M88 V97 M98 N103 G104 V108 V111 F168	L72-L101 HydrophobicContact CD1-CD1 4.49Å; L72-L101 HydrophobicContact CD1-CD2 3.61Å; L72-L101 HydrophobicContact CD1-CG 3.97Å; V75-L101 HydrophobicContact CG1-CD2 4.38Å; L76-L101 HydrophobicContact CD2-CD2 4.3Å; V86-L101 HydrophobicContact CG2-CD2 4.13Å; M88-L101 HydrophobicContact CE-CD1 3.59Å; V97-L101 HydrophobicContact CG1-CD1 4.12Å; V97-L101 WeakPolarHBondContact O-CG 3.36Å; V97-L101 PolarHBondContact O-N 3.37Å; M98-L101 PolarHBondContact O-N 2.94Å; M98-L101 HydrophobicContact SD-CD1 4.09Å; L101-N103 PolarHBondContact O-N 2.88Å; L101-G104 PolarHBondContact O-N 3.01Å; L101-G104 VanDerWaalsContact O-N 3.14Å; L101-V108 HydrophobicContact CD2-CG2 3.91Å; L101-V111 HydrophobicContact CD1-CG2 3.97Å; L101-F168 HydrophobicContact CB-CZ 4.24Å
102	K	94.5	Very high	92.6	Very high	47 Å²	47	36.5 Å²	36.5	20%	0.204	21%	0.21	C	C	.	.	H	α-helix	trans	-57.9	-45.4	174.3	179.6	172.8	169.3	171.7	0	112.3	M98 M99 G104 S105 E164 E165 F166	M98-K102 WeakPolarHBondContact O-CB 3.21Å; M98-K102 PolarHBondContact O-N 3Å; M99-K102 HydrophobicContact CE-CD 4.03Å; M99-K102 PolarHBondContact O-N 3.37Å; M99-K102 HydrophobicContact SD-CD 4.11Å; K102-G104 VanDerWaalsContact C-N 3.26Å; K102-G104 PolarHBondContact O-N 3.25Å; K102-S105 VanDerWaalsContact O-CB 3.26Å; K102-S105 WeakPolarHBondContact O-CB 3.31Å; K102-S105 PolarHBondContact O-N 3.36Å; K102-S105 VanDerWaalsContact O-N 3.15Å; K102-E164 IonicContact NZ-OE2 2.77Å; K102-E164 PolarHBondContact NZ-OE2 3.03Å; K102-E165 WeakPolarHBondContact CD-O 3.32Å; K102-E165 WeakPolarHBondContact CE-O 3.48Å; K102-E165 PolarHBondContact NZ-O 3.08Å; K102-F166 HydrophobicContact CB-CD1 4.29Å; K102-F166 HydrophobicContact CB-CE1 4.18Å; K102-F166 HydrophobicContact CD-CD1 4.23Å; K102-F166 HydrophobicContact CD-CE1 4.15Å
103	N	90.7	Very high	92.7	Very high	131 Å²	131	35.1 Å²	35.1	70%	0.701	20%	0.203	S	C	*	.	H	α-helix	trans	-71	-21.3	178.1	-70.2	-16.9	0	0	0	113.4	M99 K100 L101 S105	M99-N103 WeakPolarHBondContact O-CB 3.18Å; M99-N103 PolarHBondContact O-N 2.97Å; M99-N103 PolarHBondContact O-ND2 2.75Å; K100-N103 PolarHBondContact O-N 3.17Å; L101-N103 PolarHBondContact O-N 2.88Å; N103-S105 PolarHBondContact O-N 3.4Å
104	G	83.1	Confident	92.6	Very high	17 Å²	17	35 Å²	35	18%	0.175	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	16.2	169.7	0	0	0	0	0	114.4	K100 L101 K102 R107	K100-G104 PolarHBondContact O-N 3.21Å; L101-G104 PolarHBondContact O-N 3.01Å; L101-G104 VanDerWaalsContact O-N 3.14Å; K102-G104 VanDerWaalsContact C-N 3.26Å; K102-G104 PolarHBondContact O-N 3.25Å; G104-R107 PolarHBondContact O-N 3.37Å
105	S	68.2	Low	92.3	Very high	68 Å²	68	34.6 Å²	34.6	48%	0.476	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	137.8	-177.2	173.5	0	0	0	0	112	K102 N103 D167	K102-S105 VanDerWaalsContact O-CB 3.26Å; K102-S105 WeakPolarHBondContact O-CB 3.31Å; K102-S105 PolarHBondContact O-N 3.36Å; K102-S105 VanDerWaalsContact O-N 3.15Å; N103-S105 PolarHBondContact O-N 3.4Å; S105-D167 WeakPolarHBondContact CB-OD2 3.31Å; S105-D167 PolarHBondContact OG-OD2 3.19Å
106	G	84.1	Confident	91.9	Very high	65 Å²	65	32.6 Å²	32.6	67%	0.67	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.7	-16.2	-172.2	0	0	0	0	0	114.9
107	R	93.9	Very high	91.3	Very high	59 Å²	59	35.7 Å²	35.7	22%	0.223	21%	0.211	C	C	.	.	S	Bend	trans	-108.5	-14.3	173.3	-66	-175.9	60.6	89.7	0.5	114.4	V75 L76 G79 P82 P83 Y84 G104	V75-R107 PolarHBondContact O-NE 2.85Å; V75-R107 PolarHBondContact O-NH2 3.28Å; L76-R107 WeakPolarHBondContact O-CD 3.23Å; L76-R107 PolarHBondContact O-NE 3.34Å; G79-R107 PolarHBondContact O-NH2 3.16Å; P82-R107 HydrophobicContact CB-CB 4.37Å; P82-R107 HydrophobicContact CB-CG 4.3Å; P83-R107 CarbonylContact C-O 3.56Å; P83-R107 WeakPolarHBondContact CA-O 3.12Å; Y84-R107 PolarHBondContact N-O 2.97Å; G104-R107 PolarHBondContact O-N 3.37Å
108	V	95.4	Very high	90.9	Very high	11 Å²	11	39.3 Å²	39.3	7%	0.067	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124.8	-179.9	-178.4	0	0	0	0	108.3	V75 Y84 V86 L101 V111 F168	V75-V108 HydrophobicContact CG1-CG2 3.82Å; Y84-V108 CarbonylContact O-C 3.54Å; Y84-V108 WeakPolarHBondContact O-CA 3.22Å; V86-V108 HydrophobicContact CG2-CG1 4.46Å; L101-V108 HydrophobicContact CD2-CG2 3.91Å; V108-V111 HydrophobicContact CG1-CG2 4.46Å; V108-F168 HydrophobicContact CG1-CD1 4.33Å; V108-F168 HydrophobicContact CG1-CE1 4.34Å; V108-F168 HydrophobicContact CG1-CG 4.45Å; V108-F168 HydrophobicContact CG1-CZ 4.47Å
109	A	96	Very high	90.7	Very high	10 Å²	10	40.6 Å²	40.6	8%	0.083	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-11.2	177	0	0	0	0	0	113	D59 V60 P83 Y84 M85 P169	D59-A109 HydrophobicContact CB-CB 4.22Å; D59-A109 VanDerWaalsContact CB-O 3.22Å; D59-A109 WeakPolarHBondContact CB-O 3.4Å; V60-A109 WeakPolarHBondContact O-CB 3.32Å; P83-A109 HydrophobicContact CB-CB 3.8Å; P83-A109 HydrophobicContact CG-CB 4.12Å; Y84-A109 PolarHBondContact O-N 2.74Å; M85-A109 HydrophobicContact CE-CB 4.38Å; A109-P169 WeakPolarHBondContact O-CD 2.88Å
110	G	96.6	Very high	90.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.2	172.8	177.2	0	0	0	0	0	113.1	M85 V86 P169	M85-G110 WeakPolarHBondContact SD-CA 3.36Å; V86-G110 PolarHBondContact N-O 2.89Å; G110-P169 CarbonylContact C-O 3.52Å; G110-P169 WeakPolarHBondContact CA-O 3.05Å
111	V	97.1	Very high	90.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	137.2	-178.1	178.5	0	0	0	0	110.1	V86 M88 M98 L101 V108 V113 F168 P169 I170 F171	V86-V111 HydrophobicContact CB-CG2 4.4Å; V86-V111 CarbonylContact O-C 3.56Å; V86-V111 VanDerWaalsContact O-CA 3.28Å; V86-V111 WeakPolarHBondContact O-CA 3.47Å; M88-V111 HydrophobicContact CE-CG1 3.52Å; M88-V111 HydrophobicContact CE-CG2 4.48Å; M88-V111 HydrophobicContact CG-CG1 4.38Å; M88-V111 HydrophobicContact SD-CG1 4.15Å; M98-V111 HydrophobicContact CE-CG2 4.2Å; M98-V111 HydrophobicContact SD-CG1 4.47Å; L101-V111 HydrophobicContact CD1-CG2 3.97Å; V108-V111 HydrophobicContact CG1-CG2 4.46Å; V111-V113 HydrophobicContact CG1-CG2 4.07Å; V111-F168 HydrophobicContact CB-CE2 4.47Å; V111-F168 HydrophobicContact CG2-CD2 4.19Å; V111-F168 HydrophobicContact CG2-CE2 3.63Å; V111-F168 HydrophobicContact CG2-CZ 4.4Å; V111-P169 PolarHBondContact N-O 2.91Å; V111-I170 HydrophobicContact CB-CG1 4.21Å; V111-I170 HydrophobicContact CB-CG2 4.19Å; V111-I170 HydrophobicContact CG1-CG2 4.34Å; V111-I170 CarbonylContact O-C 3.54Å; V111-I170 VanDerWaalsContact O-CA 3.25Å; V111-I170 WeakPolarHBondContact O-CA 3.45Å; V111-F171 PolarHBondContact O-N 3.03Å
112	A	96.6	Very high	90.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	124.5	167.2	0	0	0	0	0	109.7	V86 I87 M88 F171 M173 M205	V86-A112 PolarHBondContact O-N 3.33Å; I87-A112 VanDerWaalsContact CA-O 3.32Å; I87-A112 WeakPolarHBondContact CA-O 3.2Å; I87-A112 HydrophobicContact CG1-CB 4.28Å; M88-A112 PolarHBondContact N-O 3.01Å; A112-F171 CarbonylContact C-O 3.58Å; A112-F171 WeakPolarHBondContact CA-O 3.39Å; A112-M173 HydrophobicContact CB-CE 3.58Å; A112-M173 HydrophobicContact CB-CG 4.41Å; A112-M173 HydrophobicContact CB-SD 3.86Å; A112-M205 HydrophobicContact CB-CE 3.7Å
113	V	95.8	Very high	90	Very high	0 Å²	0	46 Å²	46	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.1	-179.7	-176.3	0	0	0	0	107.9	M88 S90 F93 V111 I170 F171 S172 M173 F277	M88-V113 HydrophobicContact CG-CG2 4.28Å; M88-V113 WeakPolarHBondContact O-CA 3.21Å; S90-V113 WeakPolarHBondContact OG-CG1 2.98Å; F93-V113 HydrophobicContact CB-CG1 3.88Å; F93-V113 HydrophobicContact CB-CG2 4.35Å; F93-V113 HydrophobicContact CD1-CG1 4.37Å; F93-V113 HydrophobicContact CD2-CG1 4.49Å; F93-V113 HydrophobicContact CD2-CG2 3.56Å; F93-V113 HydrophobicContact CE2-CG2 3.94Å; F93-V113 HydrophobicContact CG-CG1 4.01Å; F93-V113 HydrophobicContact CG-CG2 3.93Å; V111-V113 HydrophobicContact CG1-CG2 4.07Å; V113-I170 HydrophobicContact CG2-CG2 4.22Å; V113-F171 PolarHBondContact N-O 3.13Å; V113-S172 CarbonylContact O-C 3.55Å; V113-S172 WeakPolarHBondContact O-CA 3.44Å; V113-M173 PolarHBondContact O-N 3.45Å; V113-F277 HydrophobicContact CB-CZ 4.23Å; V113-F277 HydrophobicContact CG2-CZ 4.24Å
114	V	93.5	Very high	90.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	122.5	175.6	-176.3	0	0	0	0	108.8	I87 M88 S90 M173 D175 T179	I87-V114 HydrophobicContact CG2-CG2 3.95Å; M88-V114 PolarHBondContact O-N 3.29Å; S90-V114 WeakPolarHBondContact CB-O 3.36Å; S90-V114 PolarHBondContact N-O 3.11Å; S90-V114 VanDerWaalsContact N-O 3.13Å; S90-V114 PolarHBondContact OG-O 3.24Å; V114-M173 WeakPolarHBondContact CA-O 3.36Å; V114-M173 HydrophobicContact CG2-CE 4.14Å; V114-D175 HydrophobicContact CG1-CB 3.83Å; V114-T179 HydrophobicContact CB-CG2 4.45Å; V114-T179 HydrophobicContact CG1-CG2 3.89Å; V114-T179 HydrophobicContact CG2-CG2 3.64Å
115	E	88	Confident	90.9	Very high	42 Å²	42	40.1 Å²	40.1	20%	0.196	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-67.2	129.2	175	-170.5	176.5	-164.5	0	0	109.5	M173 M444	E115-M173 PolarHBondContact N-O 3.44Å; E115-M444 HydrophobicContact CG-CE 4.44Å
116	P	84.9	Confident	92.3	Very high	41 Å²	41	36.9 Å²	36.9	27%	0.266	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-76.5	156.2	-179.4	36	-33	0	0	0	110	S90 S118 F445	S90-P116 WeakPolarHBondContact OG-CD 3.43Å; P116-S118 WeakPolarHBondContact CB-O 3.08Å; P116-S118 WeakPolarHBondContact CG-O 3.49Å; P116-S118 PolarHBondContact O-N 2.81Å; P116-F445 HydrophobicContact CG-CD1 4.5Å; P116-F445 HydrophobicContact CG-CE1 3.46Å; P116-F445 VanDerWaalsContact CG-CE1 3.46Å; P116-F445 HydrophobicContact CG-CZ 3.92Å
117	T	82.3	Confident	92.9	Very high	125 Å²	125	33.8 Å²	33.8	77%	0.767	20%	0.2	S	C	*	.	S	Bend	trans	-69.6	-14.9	172.9	52.7	0	0	0	0	113.6
118	S	87.2	Confident	93	Very high	78 Å²	78	32.9 Å²	32.9	55%	0.545	20%	0.201	S	C	.	.	S	Bend	trans	-143.1	149.2	178.9	55.6	0	0	0	0	111.1	P116	P116-S118 WeakPolarHBondContact CB-O 3.08Å; P116-S118 WeakPolarHBondContact CG-O 3.49Å; P116-S118 PolarHBondContact O-N 2.81Å
119	N	91.3	Very high	93	Very high	28 Å²	28	39.3 Å²	39.3	15%	0.15	22%	0.224	C	C	.	.			trans	-64.3	142.5	-178.6	-66.6	-20	0	0	0	111.7	Y440 F445 N447	N119-Y440 HydrophobicContact CB-CE1 4.16Å; N119-Y440 HydrophobicContact CB-CE2 4.27Å; N119-F445 HydrophobicContact CB-CB 4.42Å; N119-F445 PolarHBondContact ND2-O 3.13Å; N119-F445 WeakPolarHBondContact OD1-CD1 3.48Å; N119-N447 PolarHBondContact ND2-OD1 3.4Å; N119-N447 PolarHBondContact OD1-ND2 3.28Å
120	P	91.6	Very high	93	Very high	31 Å²	31	39.5 Å²	39.5	20%	0.201	23%	0.225	C	C	.	.			trans	-69.7	123.1	-177.1	25.3	-31	0	0	0	111.4	D122 G123 F124 Y440 F445	P120-D122 VanDerWaalsContact C-N 3.25Å; P120-D122 PolarHBondContact O-N 3.13Å; P120-D122 VanDerWaalsContact O-N 3.14Å; P120-G123 PolarHBondContact O-N 3.08Å; P120-F124 HydrophobicContact CG-CB 4.2Å; P120-Y440 HydrophobicContact CG-CE1 4Å; P120-Y440 WeakPolarHBondContact O-CE1 3.41Å; P120-Y440 PolarHBondContact O-OH 2.81Å; P120-F445 HydrophobicContact CG-CD2 3.83Å; P120-F445 HydrophobicContact CG-CE2 3.77Å; P120-F445 HydrophobicContact CG-CG 4.23Å; P120-F445 HydrophobicContact CG-CZ 4.12Å
121	P	90.1	Very high	92.9	Very high	101 Å²	101	39.9 Å²	39.9	66%	0.656	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-29.1	-169.6	23.8	-34.7	0	0	0	114.5	G123 K439	P121-G123 PolarHBondContact O-N 2.95Å; P121-K439 PolarHBondContact O-NZ 3.2Å
122	D	90.3	Very high	92.8	Very high	141 Å²	141	40.7 Å²	40.7	75%	0.754	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-13.8	177.7	-64.4	-36.9	0	0	0	113	P120	P120-D122 VanDerWaalsContact C-N 3.25Å; P120-D122 PolarHBondContact O-N 3.13Å; P120-D122 VanDerWaalsContact O-N 3.14Å
123	G	93.9	Very high	92.5	Very high	18 Å²	18	44.2 Å²	44.2	19%	0.186	25%	0.248	C	C	.	.			trans	84.7	155.2	-174.6	0	0	0	0	0	113.3	P120 P121	P120-G123 PolarHBondContact O-N 3.08Å; P121-G123 PolarHBondContact O-N 2.95Å
124	F	95.4	Very high	92.2	Very high	24 Å²	24	50 Å²	50	11%	0.105	28%	0.279	C	S	.	.			trans	-152.7	113.4	174.9	178.9	-102.4	0	0	0	110.6	F93 P120 P126 N159 L161 K439 S443 F445	F93-F124 AromaticContact CD1-CE1 4Å; F93-F124 HydrophobicContact CD1-CE1 4Å; F93-F124 HydrophobicContact CD1-CE2 4.36Å; F93-F124 AromaticContact CD1-CZ 3.61Å; F93-F124 HydrophobicContact CD1-CZ 3.61Å; F93-F124 AromaticContact CE1-CE1 3.97Å; F93-F124 HydrophobicContact CE1-CE1 3.97Å; F93-F124 AromaticContact CE1-CZ 3.65Å; F93-F124 HydrophobicContact CE1-CZ 3.65Å; F93-F124 WeakPolarHBondContact O-CE2 3.23Å; P120-F124 HydrophobicContact CG-CB 4.2Å; F124-P126 HydrophobicContact CE1-CB 3.87Å; F124-P126 HydrophobicContact CE1-CG 4.02Å; F124-P126 HydrophobicContact CZ-CB 3.98Å; F124-N159 VanDerWaalsContact CE2-ND2 3.32Å; F124-N159 WeakPolarHBondContact CE2-ND2 3.49Å; F124-L161 HydrophobicContact CZ-CD2 4.12Å; F124-K439 PolarHBondContact N-O 3.26Å; F124-K439 VanDerWaalsContact N-O 3.15Å; F124-S443 WeakPolarHBondContact CD1-OG 3.45Å; F124-S443 WeakPolarHBondContact O-CB 3.02Å; F124-S443 PolarHBondContact O-OG 3.2Å; F124-F445 HydrophobicContact CB-CD2 4.04Å; F124-F445 HydrophobicContact CB-CE2 4.15Å; F124-F445 HydrophobicContact CD1-CD2 4.04Å; F124-F445 AromaticContact CD1-CE2 3.88Å; F124-F445 HydrophobicContact CD1-CE2 3.88Å; F124-F445 HydrophobicContact CG-CD2 4.48Å; F124-F445 HydrophobicContact CG-CE2 4.31Å
125	S	97.3	Very high	92.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-120.1	109.5	172.3	-179.8	0	0	0	0	110.1	H127 N155 N159 F441	S125-H127 PolarHBondContact O-N 3.24Å; S125-N155 PolarHBondContact OG-ND2 3.37Å; S125-N159 PolarHBondContact O-N 2.91Å; S125-N159 VanDerWaalsContact O-N 3.07Å; S125-N159 PolarHBondContact O-OD1 3.1Å; S125-F441 WeakPolarHBondContact CB-O 3.4Å; S125-F441 PolarHBondContact OG-O 3.14Å
126	P	96.8	Very high	92.3	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.278	C	S	.	.			trans	-76.4	-4.3	177.6	35.6	-37.3	0	0	0	112.4	F124 N159 G160 L161 S162 F276 Q442	F124-P126 HydrophobicContact CE1-CB 3.87Å; F124-P126 HydrophobicContact CE1-CG 4.02Å; F124-P126 HydrophobicContact CZ-CB 3.98Å; P126-N159 VanDerWaalsContact CA-OD1 3.31Å; P126-N159 WeakPolarHBondContact CA-OD1 3.48Å; P126-G160 CarbonylContact O-C 3.55Å; P126-G160 VanDerWaalsContact O-C 3.3Å; P126-G160 WeakPolarHBondContact O-CA 3.45Å; P126-G160 PolarHBondContact O-N 3.38Å; P126-L161 HydrophobicContact CB-CB 4.26Å; P126-L161 PolarHBondContact O-N 2.88Å; P126-S162 VanDerWaalsContact CB-OG 3.31Å; P126-S162 WeakPolarHBondContact CB-OG 3.34Å; P126-S162 WeakPolarHBondContact O-CB 3.37Å; P126-S162 PolarHBondContact O-N 2.8Å; P126-F276 HydrophobicContact CB-CB 4.33Å; P126-F276 HydrophobicContact CG-CB 4.3Å; P126-Q442 WeakPolarHBondContact CD-O 3.47Å; P126-Q442 WeakPolarHBondContact CG-O 3.26Å
127	H	96.5	Very high	92.8	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	27%	0.267	C	S	.	.	S	Bend	trans	-74.8	166.9	177.1	-150.7	-78.8	0	0	0	112.6	S125 G158 N159 G160 Y163 F441 Q442	S125-H127 PolarHBondContact O-N 3.24Å; H127-G158 CarbonylContact O-C 3.5Å; H127-G158 VanDerWaalsContact O-C 3.27Å; H127-G158 WeakPolarHBondContact O-CA 3.44Å; H127-N159 PolarHBondContact O-N 3.27Å; H127-N159 VanDerWaalsContact O-N 3.09Å; H127-G160 WeakPolarHBondContact O-CA 3.43Å; H127-G160 PolarHBondContact O-N 3.26Å; H127-Y163 AromaticContact CE1-CE2 3.92Å; H127-Y163 AromaticContact CE1-CZ 3.9Å; H127-Y163 PolarHBondContact CE1-OH 3.45Å; H127-Y163 AromaticContact ND1-CE2 3.99Å; H127-Y163 AromaticContact NE2-CZ 3.94Å; H127-Y163 PolarHBondContact NE2-OH 2.87Å; H127-F441 HydrophobicContact CB-CD1 4.04Å; H127-F441 HydrophobicContact CB-CE1 4.27Å; H127-F441 AromaticContact CG-CE1 3.95Å; H127-Q442 HydrophobicContact CB-CB 4.17Å; H127-Q442 HydrophobicContact CB-CG 4.5Å
128	T	95.9	Very high	93.4	Very high	39 Å²	39	42.1 Å²	42.1	24%	0.239	23%	0.233	C	C	.	.			trans	-64.2	161.1	170.1	59.4	0	0	0	0	112.6	C130 N155 Y163	T128-C130 VanDerWaalsContact C-N 3.32Å; T128-C130 PolarHBondContact OG1-O 2.69Å; T128-N155 PolarHBondContact O-ND2 3Å; T128-Y163 HydrophobicContact CG2-CD2 3.61Å; T128-Y163 HydrophobicContact CG2-CE2 3.72Å; T128-Y163 HydrophobicContact CG2-CG 4.08Å
129	R	95.9	Very high	93.6	Very high	146 Å²	146	40.7 Å²	40.7	55%	0.551	22%	0.224	S	C	*	.	S	Bend	trans	-70.3	-28.5	173.8	-64	-178.5	175.4	164.9	-6	114	N155 G158	R129-N155 VanDerWaalsContact CA-O 3.23Å; R129-N155 WeakPolarHBondContact CA-O 3.35Å; R129-N155 PolarHBondContact O-N 3.2Å; R129-G158 WeakPolarHBondContact CG-O 3.41Å; R129-G158 PolarHBondContact NE-O 3.39Å
130	C	94.9	Very high	93.5	Very high	15 Å²	15	45.2 Å²	45.2	10%	0.101	24%	0.244	C	C	.	.	S	Bend	trans	-119.8	92.6	176.2	-163.8	0	0	0	0	108.2	T128 E133 C149	T128-C130 VanDerWaalsContact C-N 3.32Å; T128-C130 PolarHBondContact OG1-O 2.69Å; C130-E133 HydrophobicContact CB-CB 4.08Å; C130-E133 HydrophobicContact CB-CG 4.26Å; C130-C149 VanDerWaalsContact CA-SG 3.59Å; C130-C149 HydrophobicContact CB-CB 3.62Å; C130-C149 WeakPolarHBondContact CB-SG 3.03Å; C130-C149 WeakPolarHBondContact SG-CB 3.41Å; C130-C149 CovalentContact SG-SG 2.02Å; C130-C149 PolarHBondContact SG-SG 2.92Å
131	P	95.6	Very high	93.4	Very high	8 Å²	8	51.3 Å²	51.3	5%	0.052	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	140.2	175.7	-21.6	34.3	0	0	0	111.1	E133 P412 F436 F441	P131-E133 PolarHBondContact O-N 3.09Å; P131-E133 VanDerWaalsContact O-N 3.12Å; P131-P412 HydrophobicContact CB-CB 4.27Å; P131-P412 HydrophobicContact CB-CG 4.11Å; P131-P412 HydrophobicContact CG-CG 4.29Å; P131-F436 HydrophobicContact CG-CE2 4.19Å; P131-F436 HydrophobicContact CG-CZ 4.3Å; P131-F441 HydrophobicContact CB-CE1 4.15Å; P131-F441 HydrophobicContact CB-CZ 4.3Å; P131-F441 HydrophobicContact CG-CD1 4.46Å; P131-F441 HydrophobicContact CG-CE1 3.53Å; P131-F441 HydrophobicContact CG-CZ 3.93Å
132	N	94.1	Very high	93.5	Very high	16 Å²	16	49 Å²	49	9%	0.086	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	31.9	177.2	-58.1	-22.1	0	0	0	115.3	N134 T135 G136 E322 D325 Y326	N132-N134 VanDerWaalsContact C-N 3.27Å; N132-N134 PolarHBondContact O-N 3.18Å; N132-N134 VanDerWaalsContact O-N 3.15Å; N132-T135 PolarHBondContact O-N 3.07Å; N132-T135 VanDerWaalsContact O-N 3.09Å; N132-T135 PolarHBondContact O-OG1 3.45Å; N132-G136 PolarHBondContact O-N 3.26Å; N132-G136 VanDerWaalsContact O-N 3.15Å; N132-E322 PolarHBondContact ND2-O 3.49Å; N132-D325 PolarHBondContact OD1-N 2.88Å; N132-Y326 HydrophobicContact CB-CD2 4.09Å; N132-Y326 HydrophobicContact CB-CE2 3.39Å; N132-Y326 WeakPolarHBondContact ND2-CE1 3.49Å; N132-Y326 VanDerWaalsContact ND2-CZ 3.33Å
133	E	90.6	Very high	93.5	Very high	74 Å²	74	42.5 Å²	42.5	35%	0.346	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-42.8	-173.2	-176.1	-179.9	164.4	0	0	113.9	C130 P131 H148	C130-E133 HydrophobicContact CB-CB 4.08Å; C130-E133 HydrophobicContact CB-CG 4.26Å; P131-E133 PolarHBondContact O-N 3.09Å; P131-E133 VanDerWaalsContact O-N 3.12Å; E133-H148 VanDerWaalsContact OE1-CA 3.3Å; E133-H148 WeakPolarHBondContact OE1-CA 3.2Å; E133-H148 VanDerWaalsContact OE1-CB 3.25Å; E133-H148 WeakPolarHBondContact OE1-CB 3.48Å; E133-H148 IonicContact OE1-CE1 3.3Å; E133-H148 IonicContact OE1-CG 3.6Å; E133-H148 IonicContact OE1-ND1 2.68Å; E133-H148 PolarHBondContact OE1-ND1 2.94Å
134	N	89.9	Confident	93.4	Very high	121 Å²	121	44.9 Å²	44.9	65%	0.647	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-7.3	-173.3	-63.2	-38.7	0	0	0	113.6	N132	N132-N134 VanDerWaalsContact C-N 3.27Å; N132-N134 PolarHBondContact O-N 3.18Å; N132-N134 VanDerWaalsContact O-N 3.15Å
135	T	91.6	Very high	93.2	Very high	9 Å²	9	46.1 Å²	46.1	6%	0.055	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-3.8	-172.6	58.8	0	0	0	0	113.4	N132 D325 R417	N132-T135 PolarHBondContact O-N 3.07Å; N132-T135 VanDerWaalsContact O-N 3.09Å; N132-T135 PolarHBondContact O-OG1 3.45Å; T135-D325 HydrophobicContact CG2-CB 3.64Å; T135-D325 WeakPolarHBondContact CG2-OD1 3.5Å; T135-D325 WeakPolarHBondContact OG1-CB 3.38Å; T135-D325 PolarHBondContact OG1-OD1 2.76Å; T135-R417 PolarHBondContact O-NH1 3.47Å
136	G	92.4	Very high	92.9	Very high	12 Å²	12	47.3 Å²	47.3	12%	0.124	26%	0.257	C	S	.	.	S	Bend	trans	-66.9	-177.2	167.1	0	0	0	0	0	114.3	N132	N132-G136 PolarHBondContact O-N 3.26Å; N132-G136 VanDerWaalsContact O-N 3.15Å
137	V	95.1	Very high	92.6	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.03	26%	0.257	C	S	.	.	S	Bend	trans	-80.9	-30.1	179	68.7	0	0	0	0	112.6	S139 Y142 Q416 L419 R420	V137-S139 PolarHBondContact O-N 2.84Å; V137-S139 VanDerWaalsContact O-N 3.07Å; V137-Y142 HydrophobicContact CG1-CD1 4.41Å; V137-Y142 HydrophobicContact CG1-CE1 4.26Å; V137-Y142 HydrophobicContact CG2-CD1 3.75Å; V137-Y142 HydrophobicContact CG2-CD2 4.32Å; V137-Y142 HydrophobicContact CG2-CE1 3.7Å; V137-Y142 HydrophobicContact CG2-CE2 4.29Å; V137-Y142 HydrophobicContact CG2-CG 4.06Å; V137-Y142 WeakPolarHBondContact O-CB 3.25Å; V137-Q416 HydrophobicContact CB-CB 4.34Å; V137-Q416 HydrophobicContact CG1-CB 4.26Å; V137-Q416 HydrophobicContact CG1-CG 4.3Å; V137-Q416 VanDerWaalsContact N-OE1 3.13Å; V137-L419 HydrophobicContact CB-CB 4.24Å; V137-L419 HydrophobicContact CG1-CB 4.46Å; V137-L419 HydrophobicContact CG1-CD1 4.42Å; V137-L419 HydrophobicContact CG2-CB 3.85Å; V137-R420 HydrophobicContact CB-CG 4.03Å; V137-R420 HydrophobicContact CG2-CG 4.01Å
138	Y	95	Very high	92.3	Very high	17 Å²	17	50.7 Å²	50.7	7%	0.067	27%	0.273	C	S	.	.			trans	-75.2	103.3	-176.1	-57.9	-65.4	0	0	0	111	Y142 L146 D370 V372 P409 L410	Y138-Y142 HydrophobicContact CD1-CD1 4.2Å; Y138-Y142 HydrophobicContact CE1-CD1 4.41Å; Y138-Y142 HydrophobicContact CE1-CE1 4.38Å; Y138-L146 HydrophobicContact CD1-CB 3.69Å; Y138-L146 HydrophobicContact CD1-CD1 4.03Å; Y138-L146 HydrophobicContact CE1-CB 4.17Å; Y138-L146 HydrophobicContact CE1-CD1 3.72Å; Y138-L146 HydrophobicContact CG-CB 4.02Å; Y138-D370 VanDerWaalsContact CE1-OD1 3.31Å; Y138-D370 WeakPolarHBondContact CE1-OD1 3.38Å; Y138-D370 PolarHBondContact OH-OD1 2.86Å; Y138-V372 HydrophobicContact CE1-CG2 4.29Å; Y138-P409 HydrophobicContact CD2-CB 3.72Å; Y138-P409 HydrophobicContact CE2-CB 3.43Å; Y138-P409 VanDerWaalsContact CE2-CB 3.43Å; Y138-P409 HydrophobicContact CG-CB 4.41Å; Y138-L410 HydrophobicContact CE2-CB 4.02Å; Y138-L410 VanDerWaalsContact CE2-N 3.31Å; Y138-L410 PolarHBondContact OH-N 2.66Å
139	S	91.9	Very high	91.9	Very high	49 Å²	49	49.5 Å²	49.5	34%	0.343	27%	0.266	S	S	.	.	S	Bend	trans	-125.9	174.5	175	60	0	0	0	0	109.9	V137 N141 Y142 G143	V137-S139 PolarHBondContact O-N 2.84Å; V137-S139 VanDerWaalsContact O-N 3.07Å; S139-N141 PolarHBondContact O-N 2.82Å; S139-Y142 PolarHBondContact O-N 3.48Å; S139-G143 CarbonylContact O-C 3.57Å; S139-G143 PolarHBondContact O-N 2.73Å
140	E	88.9	Confident	91.5	Very high	122 Å²	122	48 Å²	48	57%	0.57	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-29.8	172.1	-66	-59.7	151.1	0	0	113.2
141	N	90.2	Very high	91	Very high	159 Å²	159	51.2 Å²	51.2	85%	0.85	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-26.4	-176.3	-65	-28.2	0	0	0	114.2	S139	S139-N141 PolarHBondContact O-N 2.82Å
142	Y	91.1	Very high	90.8	Very high	53 Å²	53	51.4 Å²	51.4	21%	0.208	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-44	-174.3	-170.2	-98.6	0	0	0	112.3	V137 Y138 S139 D370 V372 S373	V137-Y142 HydrophobicContact CG1-CD1 4.41Å; V137-Y142 HydrophobicContact CG1-CE1 4.26Å; V137-Y142 HydrophobicContact CG2-CD1 3.75Å; V137-Y142 HydrophobicContact CG2-CD2 4.32Å; V137-Y142 HydrophobicContact CG2-CE1 3.7Å; V137-Y142 HydrophobicContact CG2-CE2 4.29Å; V137-Y142 HydrophobicContact CG2-CG 4.06Å; V137-Y142 WeakPolarHBondContact O-CB 3.25Å; Y138-Y142 HydrophobicContact CD1-CD1 4.2Å; Y138-Y142 HydrophobicContact CE1-CD1 4.41Å; Y138-Y142 HydrophobicContact CE1-CE1 4.38Å; S139-Y142 PolarHBondContact O-N 3.48Å; Y142-D370 PolarHBondContact OH-OD2 2.96Å; Y142-V372 HydrophobicContact CD1-CB 4.03Å; Y142-V372 HydrophobicContact CD1-CG1 3.98Å; Y142-V372 HydrophobicContact CD1-CG2 3.94Å; Y142-V372 HydrophobicContact CD2-CG1 4.32Å; Y142-V372 HydrophobicContact CE1-CB 3.39Å; Y142-V372 HydrophobicContact CE1-CG1 3.55Å; Y142-V372 HydrophobicContact CE1-CG2 3.73Å; Y142-V372 HydrophobicContact CE2-CG1 3.93Å; Y142-V372 HydrophobicContact CG-CG1 4.35Å; Y142-S373 PolarHBondContact OH-OG 3.46Å
143	G	91.2	Very high	90.8	Very high	5 Å²	5	56.8 Å²	56.8	5%	0.052	31%	0.312	C	S	.	.			trans	-159.8	71.4	-174.2	0	0	0	0	0	111.1	S139 G145 L146 A147	S139-G143 CarbonylContact O-C 3.57Å; S139-G143 PolarHBondContact O-N 2.73Å; G143-G145 VanDerWaalsContact C-N 3.3Å; G143-G145 PolarHBondContact O-N 2.73Å; G143-L146 CarbonylContact O-C 3.29Å; G143-L146 WeakPolarHBondContact O-CA 3.23Å; G143-L146 WeakPolarHBondContact O-CB 3.11Å; G143-L146 PolarHBondContact O-N 2.76Å; G143-A147 PolarHBondContact O-N 2.94Å
144	P	90.8	Very high	91	Very high	68 Å²	68	53.7 Å²	53.7	44%	0.442	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-58.8	-38.2	-171.4	20	-32.4	0	0	0	113.2	L146 A147	P144-L146 PolarHBondContact O-N 3.25Å; P144-A147 PolarHBondContact O-N 3.01Å
145	G	90.6	Very high	91.4	Very high	49 Å²	49	48 Å²	48	51%	0.505	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-69.7	-16.1	176	0	0	0	0	0	114.7	G143 T151	G143-G145 VanDerWaalsContact C-N 3.3Å; G143-G145 PolarHBondContact O-N 2.73Å; G145-T151 PolarHBondContact O-OG1 3.4Å
146	L	91.8	Very high	91.6	Very high	25 Å²	25	50.7 Å²	50.7	13%	0.131	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-104.6	-11.3	-179	-58.9	179.4	0	0	0	112.4	Y138 G143 P144 P371 V372 P409	Y138-L146 HydrophobicContact CD1-CB 3.69Å; Y138-L146 HydrophobicContact CD1-CD1 4.03Å; Y138-L146 HydrophobicContact CE1-CB 4.17Å; Y138-L146 HydrophobicContact CE1-CD1 3.72Å; Y138-L146 HydrophobicContact CG-CB 4.02Å; G143-L146 CarbonylContact O-C 3.29Å; G143-L146 WeakPolarHBondContact O-CA 3.23Å; G143-L146 WeakPolarHBondContact O-CB 3.11Å; G143-L146 PolarHBondContact O-N 2.76Å; P144-L146 PolarHBondContact O-N 3.25Å; L146-P371 HydrophobicContact CD1-CB 4.38Å; L146-P371 HydrophobicContact CD1-CG 4.17Å; L146-V372 HydrophobicContact CD1-CG2 4.29Å; L146-P409 HydrophobicContact CB-CB 4.18Å
147	A	90.9	Very high	91.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-69.4	160.6	178.2	0	0	0	0	0	111.8	G143 P144 C149 N150	G143-A147 PolarHBondContact O-N 2.94Å; P144-A147 PolarHBondContact O-N 3.01Å; A147-C149 PolarHBondContact O-N 2.79Å; A147-C149 VanDerWaalsContact O-N 3.08Å; A147-N150 WeakPolarHBondContact O-CB 3.39Å; A147-N150 PolarHBondContact O-N 2.94Å; A147-N150 VanDerWaalsContact O-N 3.12Å; A147-N150 PolarHBondContact O-ND2 2.68Å
148	H	89.9	Confident	91.8	Very high	73 Å²	73	53.8 Å²	53.8	34%	0.338	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	57.4	26.7	170.1	-60.3	-64.4	0	0	0	115.6	E133 N150	E133-H148 VanDerWaalsContact OE1-CA 3.3Å; E133-H148 WeakPolarHBondContact OE1-CA 3.2Å; E133-H148 VanDerWaalsContact OE1-CB 3.25Å; E133-H148 WeakPolarHBondContact OE1-CB 3.48Å; E133-H148 IonicContact OE1-CE1 3.3Å; E133-H148 IonicContact OE1-CG 3.6Å; E133-H148 IonicContact OE1-ND1 2.68Å; E133-H148 PolarHBondContact OE1-ND1 2.94Å; H148-N150 PolarHBondContact O-N 3.39Å
149	C	87.5	Confident	91.8	Very high	13 Å²	13	54.7 Å²	54.7	9%	0.088	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	48.8	32.3	-174.3	-71.9	0	0	0	0	113.5	C130 A147 T151 T152	C130-C149 VanDerWaalsContact CA-SG 3.59Å; C130-C149 HydrophobicContact CB-CB 3.62Å; C130-C149 WeakPolarHBondContact CB-SG 3.03Å; C130-C149 WeakPolarHBondContact SG-CB 3.41Å; C130-C149 CovalentContact SG-SG 2.02Å; C130-C149 PolarHBondContact SG-SG 2.92Å; A147-C149 PolarHBondContact O-N 2.79Å; A147-C149 VanDerWaalsContact O-N 3.08Å; C149-T151 VanDerWaalsContact C-N 3.28Å; C149-T151 PolarHBondContact O-N 3.21Å; C149-T152 WeakPolarHBondContact CA-O 3.42Å; C149-T152 WeakPolarHBondContact CB-O 3.33Å; C149-T152 PolarHBondContact SG-O 3.15Å
150	N	86.7	Confident	92	Very high	115 Å²	115	52.9 Å²	52.9	62%	0.615	29%	0.293	S	S	*	.	S	Bend	trans	-62.8	-37.9	-179.1	-79.2	-27.9	0	0	0	111.8	A147 H148	A147-N150 WeakPolarHBondContact O-CB 3.39Å; A147-N150 PolarHBondContact O-N 2.94Å; A147-N150 VanDerWaalsContact O-N 3.12Å; A147-N150 PolarHBondContact O-ND2 2.68Å; H148-N150 PolarHBondContact O-N 3.39Å
151	T	85.9	Confident	92.4	Very high	83 Å²	83	47 Å²	47	51%	0.509	27%	0.266	S	S	.	.	S	Bend	trans	-88.3	-53	180	-58.8	0	0	0	0	111.6	G145 C149	G145-T151 PolarHBondContact O-OG1 3.4Å; C149-T151 VanDerWaalsContact C-N 3.28Å; C149-T151 PolarHBondContact O-N 3.21Å
152	T	90.5	Very high	92.7	Very high	12 Å²	12	39.6 Å²	39.6	7%	0.074	23%	0.226	C	C	.	.			trans	-122.3	126	-173.1	-56.1	0	0	0	0	110.3	C149 W154 S434	C149-T152 WeakPolarHBondContact CA-O 3.42Å; C149-T152 WeakPolarHBondContact CB-O 3.33Å; C149-T152 PolarHBondContact SG-O 3.15Å; T152-W154 HydrophobicContact CG2-CD2 4.07Å; T152-W154 HydrophobicContact CG2-CE3 3.99Å; T152-W154 HydrophobicContact CG2-CH2 3.99Å; T152-W154 HydrophobicContact CG2-CZ2 4.07Å; T152-W154 HydrophobicContact CG2-CZ3 3.94Å; T152-S434 VanDerWaalsContact CG2-O 3.22Å; T152-S434 WeakPolarHBondContact CG2-O 3.34Å
153	K	94.5	Very high	93	Very high	129 Å²	129	39.8 Å²	39.8	56%	0.561	23%	0.227	S	C	*	.			trans	-100.6	103.1	173.2	-68.9	176.3	-177.5	170	0	109.2
154	W	95.4	Very high	93.2	Very high	8 Å²	8	41.3 Å²	41.3	3%	0.03	23%	0.233	C	C	.	.	S	Bend	trans	-64.2	-44.5	-174.9	-60.3	114	0	0	0	113.1	T152 P156 P409 L410 P411 Y432 S434 S435 F436	T152-W154 HydrophobicContact CG2-CD2 4.07Å; T152-W154 HydrophobicContact CG2-CE3 3.99Å; T152-W154 HydrophobicContact CG2-CH2 3.99Å; T152-W154 HydrophobicContact CG2-CZ2 4.07Å; T152-W154 HydrophobicContact CG2-CZ3 3.94Å; W154-P156 WeakPolarHBondContact O-CD 3.22Å; W154-P409 VanDerWaalsContact CH2-O 3.31Å; W154-P409 WeakPolarHBondContact CH2-O 3.35Å; W154-P409 HydrophobicContact CZ2-CB 4.38Å; W154-P409 HydrophobicContact CZ2-CG 3.95Å; W154-P409 WeakPolarHBondContact CZ2-O 3.32Å; W154-L410 VanDerWaalsContact CZ2-O 3.32Å; W154-L410 WeakPolarHBondContact CZ2-O 3.48Å; W154-P411 HydrophobicContact CD2-CB 4.34Å; W154-P411 HydrophobicContact CE3-CB 4.13Å; W154-P411 HydrophobicContact CH2-CB 4.03Å; W154-P411 VanDerWaalsContact CZ2-CA 3.46Å; W154-P411 HydrophobicContact CZ2-CB 4.21Å; W154-P411 HydrophobicContact CZ3-CB 3.99Å; W154-Y432 HydrophobicContact CE3-CD2 4.25Å; W154-Y432 AromaticContact CE3-CE2 3.56Å; W154-Y432 HydrophobicContact CE3-CE2 3.56Å; W154-Y432 HydrophobicContact CZ3-CD2 4.21Å; W154-Y432 AromaticContact CZ3-CE2 3.62Å; W154-Y432 HydrophobicContact CZ3-CE2 3.62Å; W154-S434 VanDerWaalsContact CZ3-O 3.23Å; W154-S434 WeakPolarHBondContact CZ3-O 3.38Å; W154-S435 CarbonylContact O-C 3.32Å; W154-S435 WeakPolarHBondContact O-CA 3.42Å; W154-F436 HydrophobicContact CB-CD1 4.28Å; W154-F436 HydrophobicContact CB-CE1 3.64Å; W154-F436 HydrophobicContact CB-CE2 4.2Å; W154-F436 HydrophobicContact CB-CZ 3.6Å; W154-F436 HydrophobicContact CG-CE1 4.4Å; W154-F436 WeakPolarHBondContact O-CD2 3.44Å; W154-F436 VanDerWaalsContact O-CG 3.25Å; W154-F436 WeakPolarHBondContact O-CG 3.43Å; W154-F436 PolarHBondContact O-N 2.96Å
155	N	97	Very high	93.5	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.011	23%	0.229	C	C	.	.			trans	-113	80.4	-178.5	-177	16.4	0	0	0	111.9	S125 T128 R129 L157 G158 F436 F441	S125-N155 PolarHBondContact OG-ND2 3.37Å; T128-N155 PolarHBondContact O-ND2 3Å; R129-N155 VanDerWaalsContact CA-O 3.23Å; R129-N155 WeakPolarHBondContact CA-O 3.35Å; R129-N155 PolarHBondContact O-N 3.2Å; N155-L157 VanDerWaalsContact C-N 3.26Å; N155-L157 PolarHBondContact O-N 2.75Å; N155-G158 VanDerWaalsContact ND2-CA 3.29Å; N155-G158 WeakPolarHBondContact ND2-CA 3.31Å; N155-G158 PolarHBondContact O-N 3.46Å; N155-G158 PolarHBondContact OD1-N 2.9Å; N155-F436 HydrophobicContact CB-CD2 3.79Å; N155-F436 HydrophobicContact CB-CE2 3.72Å; N155-F441 HydrophobicContact CB-CD1 4.48Å
156	P	95.6	Very high	93.7	Very high	66 Å²	66	39.5 Å²	39.5	43%	0.429	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-30.8	-175.8	25.4	-35	0	0	0	113.6	W154 G158	W154-P156 WeakPolarHBondContact O-CD 3.22Å; P156-G158 VanDerWaalsContact C-N 3.27Å
157	L	96.1	Very high	93.8	Very high	79 Å²	79	41.9 Å²	41.9	41%	0.414	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-5.6	177.1	-65.2	179.5	0	0	0	113.4	N155 N159 K439	N155-L157 VanDerWaalsContact C-N 3.26Å; N155-L157 PolarHBondContact O-N 2.75Å; L157-N159 PolarHBondContact O-N 3.35Å; L157-K439 HydrophobicContact CD1-CB 3.98Å; L157-K439 HydrophobicContact CD1-CG 4.15Å
158	G	96.5	Very high	94.1	Very high	2 Å²	2	42 Å²	42	2%	0.021	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-59.9	121.4	176.2	0	0	0	0	0	111.7	H127 R129 N155 P156	H127-G158 CarbonylContact O-C 3.5Å; H127-G158 VanDerWaalsContact O-C 3.27Å; H127-G158 WeakPolarHBondContact O-CA 3.44Å; R129-G158 WeakPolarHBondContact CG-O 3.41Å; R129-G158 PolarHBondContact NE-O 3.39Å; N155-G158 VanDerWaalsContact ND2-CA 3.29Å; N155-G158 WeakPolarHBondContact ND2-CA 3.31Å; N155-G158 PolarHBondContact O-N 3.46Å; N155-G158 PolarHBondContact OD1-N 2.9Å; P156-G158 VanDerWaalsContact C-N 3.27Å
159	N	95.3	Very high	94.4	Very high	37 Å²	37	38.6 Å²	38.6	20%	0.198	20%	0.202	C	C	.	.			trans	-105.4	-7.9	178.2	69.2	29.3	0	0	0	113.1	R95 F124 S125 P126 H127 L157 L161	R95-N159 HydrophobicContact CB-CB 4.16Å; R95-N159 WeakPolarHBondContact CD-O 3.26Å; R95-N159 PolarHBondContact NE-O 2.96Å; R95-N159 PolarHBondContact NH1-O 3.23Å; F124-N159 VanDerWaalsContact CE2-ND2 3.32Å; F124-N159 WeakPolarHBondContact CE2-ND2 3.49Å; S125-N159 PolarHBondContact O-N 2.91Å; S125-N159 VanDerWaalsContact O-N 3.07Å; S125-N159 PolarHBondContact O-OD1 3.1Å; P126-N159 VanDerWaalsContact CA-OD1 3.31Å; P126-N159 WeakPolarHBondContact CA-OD1 3.48Å; H127-N159 PolarHBondContact O-N 3.27Å; H127-N159 VanDerWaalsContact O-N 3.09Å; L157-N159 PolarHBondContact O-N 3.35Å; N159-L161 PolarHBondContact O-N 3.19Å; N159-L161 WeakPolarHBondContact OD1-CB 3.34Å; N159-L161 PolarHBondContact OD1-N 3.03Å
160	G	96.4	Very high	94.9	Very high	10 Å²	10	38 Å²	38	10%	0.103	20%	0.198	C	C	.	.			trans	65.7	18.3	178.3	0	0	0	0	0	114.7	R95 P126 H127 S162 Y163	R95-G160 PolarHBondContact NH1-O 3.45Å; P126-G160 CarbonylContact O-C 3.55Å; P126-G160 VanDerWaalsContact O-C 3.3Å; P126-G160 WeakPolarHBondContact O-CA 3.45Å; P126-G160 PolarHBondContact O-N 3.38Å; H127-G160 WeakPolarHBondContact O-CA 3.43Å; H127-G160 PolarHBondContact O-N 3.26Å; G160-S162 VanDerWaalsContact C-N 3.29Å; G160-S162 PolarHBondContact O-N 3.31Å; G160-Y163 PolarHBondContact O-N 3.48Å; G160-Y163 VanDerWaalsContact O-N 3.16Å
161	L	97.1	Very high	95.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-60.8	-36.6	179.3	-174.8	64.5	0	0	0	112.5	F93 M98 F124 P126 N159 Y163 E164 F166 F276	F93-L161 HydrophobicContact CD1-CD2 4.49Å; F93-L161 HydrophobicContact CE1-CD2 3.83Å; F93-L161 HydrophobicContact CE2-CD2 3.86Å; F93-L161 HydrophobicContact CZ-CD2 3.47Å; F93-L161 VanDerWaalsContact CZ-CD2 3.47Å; M98-L161 HydrophobicContact CB-CD1 3.78Å; M98-L161 HydrophobicContact CG-CD1 4.16Å; M98-L161 HydrophobicContact CG-CD2 4.22Å; F124-L161 HydrophobicContact CZ-CD2 4.12Å; P126-L161 HydrophobicContact CB-CB 4.26Å; P126-L161 PolarHBondContact O-N 2.88Å; N159-L161 PolarHBondContact O-N 3.19Å; N159-L161 WeakPolarHBondContact OD1-CB 3.34Å; N159-L161 PolarHBondContact OD1-N 3.03Å; L161-Y163 PolarHBondContact O-N 3.08Å; L161-Y163 VanDerWaalsContact O-N 3.13Å; L161-E164 WeakPolarHBondContact O-CB 3.42Å; L161-E164 PolarHBondContact O-N 3.32Å; L161-E164 VanDerWaalsContact O-N 3.15Å; L161-F166 HydrophobicContact CD1-CE2 4.23Å; L161-F166 HydrophobicContact CD1-CZ 3.68Å; L161-F276 HydrophobicContact CD2-CD2 4.42Å; L161-F276 HydrophobicContact CD2-CE2 4.37Å; L161-F276 HydrophobicContact CG-CD2 4.15Å; L161-F276 HydrophobicContact CG-CE2 3.87Å
162	S	96.3	Very high	95.8	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.021	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-64.9	-13.9	177.1	-67.4	0	0	0	0	114	I50 P126 G160	I50-S162 WeakPolarHBondContact CD1-O 3.37Å; P126-S162 VanDerWaalsContact CB-OG 3.31Å; P126-S162 WeakPolarHBondContact CB-OG 3.34Å; P126-S162 WeakPolarHBondContact O-CB 3.37Å; P126-S162 PolarHBondContact O-N 2.8Å; G160-S162 VanDerWaalsContact C-N 3.29Å; G160-S162 PolarHBondContact O-N 3.31Å
163	Y	96	Very high	95.9	Very high	56 Å²	56	28.4 Å²	28.4	22%	0.22	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-103.3	8.3	-179.8	-67.3	-93.7	0	0	0	112.4	I50 H127 T128 G160 L161 W640	I50-Y163 HydrophobicContact CD1-CD1 4.15Å; I50-Y163 VanDerWaalsContact CG2-O 3.23Å; I50-Y163 WeakPolarHBondContact CG2-O 3.39Å; H127-Y163 AromaticContact CE1-CE2 3.92Å; H127-Y163 AromaticContact CE1-CZ 3.9Å; H127-Y163 PolarHBondContact CE1-OH 3.45Å; H127-Y163 AromaticContact ND1-CE2 3.99Å; H127-Y163 AromaticContact NE2-CZ 3.94Å; H127-Y163 PolarHBondContact NE2-OH 2.87Å; T128-Y163 HydrophobicContact CG2-CD2 3.61Å; T128-Y163 HydrophobicContact CG2-CE2 3.72Å; T128-Y163 HydrophobicContact CG2-CG 4.08Å; G160-Y163 PolarHBondContact O-N 3.48Å; G160-Y163 VanDerWaalsContact O-N 3.16Å; L161-Y163 PolarHBondContact O-N 3.08Å; L161-Y163 VanDerWaalsContact O-N 3.13Å; Y163-W640 HydrophobicContact CD1-CH2 4.32Å; Y163-W640 HydrophobicContact CE1-CH2 4.2Å; Y163-W640 HydrophobicContact CE1-CZ2 4.02Å
164	E	96.9	Very high	95.6	Very high	38 Å²	38	27.4 Å²	27.4	18%	0.178	14%	0.139	C	C	.	.	S	Bend	trans	-88.8	147.8	172.5	-68.1	-64.1	152.5	0	0	111.1	G51 R95 M99 K102 L161 F166	G51-E164 PolarHBondContact N-O 3.26Å; R95-E164 IonicContact CZ-OE1 2.75Å; R95-E164 IonicContact NH1-OE1 3.37Å; R95-E164 PolarHBondContact NH1-OE1 2.87Å; R95-E164 IonicContact NH2-OE1 2.67Å; R95-E164 PolarHBondContact NH2-OE1 3.26Å; M99-E164 HydrophobicContact SD-CG 4.04Å; K102-E164 IonicContact NZ-OE2 2.77Å; K102-E164 PolarHBondContact NZ-OE2 3.03Å; L161-E164 WeakPolarHBondContact O-CB 3.42Å; L161-E164 PolarHBondContact O-N 3.32Å; L161-E164 VanDerWaalsContact O-N 3.15Å; E164-F166 HydrophobicContact CB-CD2 4.4Å; E164-F166 HydrophobicContact CB-CE2 3.65Å; E164-F166 HydrophobicContact CB-CZ 3.9Å
165	E	96.1	Very high	95.2	Very high	79 Å²	79	30.3 Å²	30.3	37%	0.369	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	131.7	168.1	-176.6	-178.2	174.1	0	0	110.6	Q49 K102	Q49-E165 HydrophobicContact CG-CG 4.32Å; Q49-E165 PolarHBondContact NE2-OE1 2.95Å; K102-E165 WeakPolarHBondContact CD-O 3.32Å; K102-E165 WeakPolarHBondContact CE-O 3.48Å; K102-E165 PolarHBondContact NZ-O 3.08Å
166	F	96	Very high	94.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.7	173.7	-64.3	-83.8	0	0	0	110.5	G51 C52 M98 K102 L161 E164 F168 I170 F276	G51-F166 PolarHBondContact O-N 3Å; C52-F166 HydrophobicContact CB-CB 4.36Å; M98-F166 HydrophobicContact CB-CE1 4.18Å; M98-F166 HydrophobicContact CB-CZ 4.2Å; M98-F166 HydrophobicContact CE-CD1 4.41Å; M98-F166 HydrophobicContact CE-CE1 3.93Å; M98-F166 HydrophobicContact CE-CZ 4.3Å; K102-F166 HydrophobicContact CB-CD1 4.29Å; K102-F166 HydrophobicContact CB-CE1 4.18Å; K102-F166 HydrophobicContact CD-CD1 4.23Å; K102-F166 HydrophobicContact CD-CE1 4.15Å; L161-F166 HydrophobicContact CD1-CE2 4.23Å; L161-F166 HydrophobicContact CD1-CZ 3.68Å; E164-F166 HydrophobicContact CB-CD2 4.4Å; E164-F166 HydrophobicContact CB-CE2 3.65Å; E164-F166 HydrophobicContact CB-CZ 3.9Å; F166-F168 VanDerWaalsContact C-N 3.25Å; F166-F168 HydrophobicContact CD1-CE1 4.41Å; F166-F168 HydrophobicContact CD1-CE2 4.06Å; F166-F168 AromaticContact CD1-CZ 3.77Å; F166-F168 HydrophobicContact CD1-CZ 3.77Å; F166-F168 HydrophobicContact CE1-CZ 4.46Å; F166-F168 PolarHBondContact O-N 2.99Å; F166-I170 HydrophobicContact CB-CD1 4.11Å; F166-I170 HydrophobicContact CD1-CD1 3.86Å; F166-I170 HydrophobicContact CD2-CD1 3.74Å; F166-I170 HydrophobicContact CE1-CD1 4.22Å; F166-I170 HydrophobicContact CE2-CD1 4.1Å; F166-I170 HydrophobicContact CG-CD1 3.61Å; F166-I170 HydrophobicContact CZ-CD1 4.33Å; F166-F276 HydrophobicContact CD2-CZ 4.29Å; F166-F276 HydrophobicContact CE2-CE2 4.06Å; F166-F276 AromaticContact CE2-CZ 4Å; F166-F276 HydrophobicContact CE2-CZ 4Å
167	D	93.9	Very high	94.5	Very high	74 Å²	74	36 Å²	36	40%	0.396	18%	0.182	S	C	.	.	S	Bend	trans	-85.2	3.1	178.2	61.3	-23.5	0	0	0	113.3	S105	S105-D167 WeakPolarHBondContact CB-OD2 3.31Å; S105-D167 PolarHBondContact OG-OD2 3.19Å
168	F	95.9	Very high	94.2	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.018	17%	0.17	C	C	.	.	S	Bend	trans	-132.1	154.7	175.6	54	-103.2	0	0	0	111.3	Q53 M98 L101 V108 V111 F166 I170	Q53-F168 CarbonylContact O-C 3.59Å; Q53-F168 WeakPolarHBondContact O-CA 3.41Å; M98-F168 HydrophobicContact CE-CE2 4.21Å; M98-F168 HydrophobicContact CE-CZ 4.48Å; L101-F168 HydrophobicContact CB-CZ 4.24Å; V108-F168 HydrophobicContact CG1-CD1 4.33Å; V108-F168 HydrophobicContact CG1-CE1 4.34Å; V108-F168 HydrophobicContact CG1-CG 4.45Å; V108-F168 HydrophobicContact CG1-CZ 4.47Å; V111-F168 HydrophobicContact CB-CE2 4.47Å; V111-F168 HydrophobicContact CG2-CD2 4.19Å; V111-F168 HydrophobicContact CG2-CE2 3.63Å; V111-F168 HydrophobicContact CG2-CZ 4.4Å; F166-F168 VanDerWaalsContact C-N 3.25Å; F166-F168 HydrophobicContact CD1-CE1 4.41Å; F166-F168 HydrophobicContact CD1-CE2 4.06Å; F166-F168 AromaticContact CD1-CZ 3.77Å; F166-F168 HydrophobicContact CD1-CZ 3.77Å; F166-F168 HydrophobicContact CE1-CZ 4.46Å; F166-F168 PolarHBondContact O-N 2.99Å; F168-I170 HydrophobicContact CD2-CD1 4.45Å; F168-I170 HydrophobicContact CD2-CG1 3.94Å; F168-I170 HydrophobicContact CE2-CD1 3.91Å; F168-I170 HydrophobicContact CE2-CG1 3.8Å
169	P	97	Very high	93.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.169	C	C	.	.			trans	-69.8	142	178.2	27	-35.3	0	0	0	111.8	Q53 D59 A109 G110 V111 F171 L207	Q53-P169 WeakPolarHBondContact O-CD 3.45Å; Q53-P169 VanDerWaalsContact O-N 3.11Å; D59-P169 HydrophobicContact CB-CG 4.33Å; D59-P169 VanDerWaalsContact OD2-CD 3.23Å; D59-P169 WeakPolarHBondContact OD2-CD 3.38Å; A109-P169 WeakPolarHBondContact O-CD 2.88Å; G110-P169 CarbonylContact C-O 3.52Å; G110-P169 WeakPolarHBondContact CA-O 3.05Å; V111-P169 PolarHBondContact N-O 2.91Å; P169-F171 HydrophobicContact CB-CD1 4.16Å; P169-F171 HydrophobicContact CB-CE1 3.82Å; P169-L207 HydrophobicContact CB-CB 4.05Å; P169-L207 HydrophobicContact CB-CD1 4.49Å; P169-L207 HydrophobicContact CG-CB 3.71Å; P169-L207 HydrophobicContact CG-CD1 4.33Å
170	I	97.6	Very high	93.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121.7	173.8	-53.8	173.1	0	0	0	108.3	C40 F93 M98 V111 V113 F166 F168 F276 F277	C40-I170 HydrophobicContact CB-CB 4.11Å; C40-I170 VanDerWaalsContact CB-O 3.27Å; C40-I170 WeakPolarHBondContact CB-O 3.27Å; C40-I170 PolarHBondContact N-O 3.5Å; F93-I170 HydrophobicContact CE2-CG2 4.45Å; M98-I170 HydrophobicContact CE-CD1 3.33Å; M98-I170 HydrophobicContact CE-CG1 4.2Å; V111-I170 HydrophobicContact CB-CG1 4.21Å; V111-I170 HydrophobicContact CB-CG2 4.19Å; V111-I170 HydrophobicContact CG1-CG2 4.34Å; V111-I170 CarbonylContact O-C 3.54Å; V111-I170 VanDerWaalsContact O-CA 3.25Å; V111-I170 WeakPolarHBondContact O-CA 3.45Å; V113-I170 HydrophobicContact CG2-CG2 4.22Å; F166-I170 HydrophobicContact CB-CD1 4.11Å; F166-I170 HydrophobicContact CD1-CD1 3.86Å; F166-I170 HydrophobicContact CD2-CD1 3.74Å; F166-I170 HydrophobicContact CE1-CD1 4.22Å; F166-I170 HydrophobicContact CE2-CD1 4.1Å; F166-I170 HydrophobicContact CG-CD1 3.61Å; F166-I170 HydrophobicContact CZ-CD1 4.33Å; F168-I170 HydrophobicContact CD2-CD1 4.45Å; F168-I170 HydrophobicContact CD2-CG1 3.94Å; F168-I170 HydrophobicContact CE2-CD1 3.91Å; F168-I170 HydrophobicContact CE2-CG1 3.8Å; I170-F276 HydrophobicContact CB-CE1 4.06Å; I170-F276 HydrophobicContact CD1-CE1 4.15Å; I170-F276 HydrophobicContact CD1-CZ 3.81Å; I170-F276 HydrophobicContact CG2-CE1 3.82Å; I170-F277 HydrophobicContact CG2-CE1 4.1Å; I170-F277 HydrophobicContact CG2-CZ 4.34Å
171	F	96.6	Very high	93.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.1	-174.8	-80.5	40.5	0	0	0	109.7	T37 V38 P39 V111 A112 V113 P169 L207 I648	T37-F171 HydrophobicContact CG2-CD2 4.3Å; V38-F171 CarbonylContact O-C 3.56Å; V38-F171 WeakPolarHBondContact O-CA 3.45Å; P39-F171 HydrophobicContact CB-CD1 4.33Å; P39-F171 HydrophobicContact CB-CE1 3.97Å; P39-F171 HydrophobicContact CB-CZ 4.15Å; V111-F171 PolarHBondContact O-N 3.03Å; A112-F171 CarbonylContact C-O 3.58Å; A112-F171 WeakPolarHBondContact CA-O 3.39Å; V113-F171 PolarHBondContact N-O 3.13Å; P169-F171 HydrophobicContact CB-CD1 4.16Å; P169-F171 HydrophobicContact CB-CE1 3.82Å; F171-L207 HydrophobicContact CB-CD1 4.35Å; F171-L207 HydrophobicContact CD1-CB 4.45Å; F171-L207 HydrophobicContact CD1-CD1 4.09Å; F171-L207 HydrophobicContact CD2-CD2 3.79Å; F171-L207 HydrophobicContact CE1-CB 4.2Å; F171-L207 HydrophobicContact CE2-CD2 4.1Å; F171-L207 HydrophobicContact CG-CD1 4.14Å; F171-L207 HydrophobicContact CG-CD2 4.08Å; F171-L207 HydrophobicContact CZ-CB 4.28Å; F171-I648 HydrophobicContact CE2-CG2 3.89Å; F171-I648 HydrophobicContact CZ-CG2 3.63Å
172	S	94.9	Very high	93.4	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	139.7	164.7	-172.1	0	0	0	0	109.5	T37 V38 V113 F277	T37-S172 WeakPolarHBondContact CA-O 3.49Å; V38-S172 PolarHBondContact N-O 3.13Å; V38-S172 PolarHBondContact O-N 3.18Å; V113-S172 CarbonylContact O-C 3.55Å; V113-S172 WeakPolarHBondContact O-CA 3.44Å; S172-F277 VanDerWaalsContact N-CE1 3.27Å
173	M	92.4	Very high	93.3	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.03	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	143.9	176.7	-54.7	-172.9	-52.1	0	0	109.3	L34 T37 I87 A112 V113 V114 E115 I182	L34-M173 HydrophobicContact CD1-SD 4.19Å; T37-M173 HydrophobicContact CG2-CG 4.18Å; I87-M173 HydrophobicContact CG2-CE 4.38Å; A112-M173 HydrophobicContact CB-CE 3.58Å; A112-M173 HydrophobicContact CB-CG 4.41Å; A112-M173 HydrophobicContact CB-SD 3.86Å; V113-M173 PolarHBondContact O-N 3.45Å; V114-M173 WeakPolarHBondContact CA-O 3.36Å; V114-M173 HydrophobicContact CG2-CE 4.14Å; E115-M173 PolarHBondContact N-O 3.44Å; M173-I182 HydrophobicContact CE-CD1 3.79Å; M173-I182 HydrophobicContact SD-CD1 3.78Å
174	K	87.9	Confident	93.2	Very high	108 Å²	108	43.8 Å²	43.8	47%	0.47	22%	0.215	S	C	.	.			trans	-73.9	148.9	171.8	-68.6	-171.2	174.3	-172.8	0	110.3	D176 T179	K174-D176 VanDerWaalsContact C-N 3.27Å; K174-D176 PolarHBondContact O-N 3.43Å; K174-T179 PolarHBondContact O-OG1 2.6Å
175	D	87	Confident	93.1	Very high	70 Å²	70	43 Å²	43	37%	0.374	21%	0.214	S	C	.	.	S	Bend	trans	-75.3	83.8	169.6	-167.9	29.4	0	0	0	109.9	V114 R183	V114-D175 HydrophobicContact CG1-CB 3.83Å; D175-R183 IonicContact OD1-CZ 2.78Å; D175-R183 IonicContact OD1-NH1 3.45Å; D175-R183 PolarHBondContact OD1-NH1 3.46Å; D175-R183 IonicContact OD1-NH2 3.38Å; D175-R183 PolarHBondContact OD1-NH2 3.37Å
176	D	88.8	Confident	93	Very high	45 Å²	45	40 Å²	40	24%	0.241	20%	0.199	C	C	.	.	S	Bend	trans	-133	-166.7	-177	68.7	9.9	0	0	0	111.7	K174 D178 T179 Q180	K174-D176 VanDerWaalsContact C-N 3.27Å; K174-D176 PolarHBondContact O-N 3.43Å; D176-D178 PolarHBondContact O-N 3.44Å; D176-D178 WeakPolarHBondContact OD1-CA 3.19Å; D176-D178 WeakPolarHBondContact OD1-CB 3.43Å; D176-D178 PolarHBondContact OD1-N 3.41Å; D176-T179 PolarHBondContact O-N 2.82Å; D176-T179 PolarHBondContact OD1-N 2.92Å; D176-Q180 WeakPolarHBondContact O-CG 3Å; D176-Q180 PolarHBondContact O-N 3.1Å
177	N	90.8	Very high	92.9	Very high	142 Å²	142	44.2 Å²	44.2	76%	0.759	22%	0.219	S	C	*	.	H	α-helix	trans	-58.9	-33.2	178.9	-72.1	-9.5	0	0	0	113.2	Q180 L181	N177-Q180 PolarHBondContact O-N 2.98Å; N177-L181 WeakPolarHBondContact O-CB 3.47Å; N177-L181 PolarHBondContact O-N 3.41Å
178	D	89.8	Confident	92.9	Very high	29 Å²	29	45.5 Å²	45.5	16%	0.155	23%	0.227	C	C	.	.	H	α-helix	trans	-67.2	-45.6	178.8	-70.7	-5.4	0	0	0	108.9	L34 N35 D176 Q180 L181 I182	L34-D178 HydrophobicContact CD2-CB 4.22Å; N35-D178 PolarHBondContact N-OD2 2.99Å; D176-D178 PolarHBondContact O-N 3.44Å; D176-D178 WeakPolarHBondContact OD1-CA 3.19Å; D176-D178 WeakPolarHBondContact OD1-CB 3.43Å; D176-D178 PolarHBondContact OD1-N 3.41Å; D178-Q180 PolarHBondContact O-N 3.24Å; D178-L181 WeakPolarHBondContact O-CB 3.02Å; D178-L181 PolarHBondContact O-N 2.58Å; D178-I182 WeakPolarHBondContact O-CG1 3.1Å; D178-I182 PolarHBondContact O-N 3.28Å
179	T	90.2	Very high	92.7	Very high	1 Å²	1	48 Å²	48	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-63.3	-40.1	176.2	-64.7	0	0	0	0	112.3	V114 K174 D176 I182 R183	V114-T179 HydrophobicContact CB-CG2 4.45Å; V114-T179 HydrophobicContact CG1-CG2 3.89Å; V114-T179 HydrophobicContact CG2-CG2 3.64Å; K174-T179 PolarHBondContact O-OG1 2.6Å; D176-T179 PolarHBondContact O-N 2.82Å; D176-T179 PolarHBondContact OD1-N 2.92Å; T179-I182 PolarHBondContact O-N 3.01Å; T179-R183 WeakPolarHBondContact O-CG 3.29Å; T179-R183 PolarHBondContact O-N 3.31Å
180	Q	91.7	Very high	92.5	Very high	97 Å²	97	48.4 Å²	48.4	45%	0.453	24%	0.24	S	C	.	.	H	α-helix	trans	-64.2	-40.2	175.2	-64.6	-59.9	-20	0	0	112.3	D176 N177 D178 I182 R183 Q184	D176-Q180 WeakPolarHBondContact O-CG 3Å; D176-Q180 PolarHBondContact O-N 3.1Å; N177-Q180 PolarHBondContact O-N 2.98Å; D178-Q180 PolarHBondContact O-N 3.24Å; Q180-I182 VanDerWaalsContact C-N 3.33Å; Q180-I182 PolarHBondContact O-N 3.4Å; Q180-R183 PolarHBondContact O-N 3.02Å; Q180-Q184 WeakPolarHBondContact O-CB 3.44Å; Q180-Q184 PolarHBondContact O-N 3.12Å
181	L	92.5	Very high	92	Very high	75 Å²	75	55.3 Å²	55.3	39%	0.393	27%	0.266	S	S	.	.	H	α-helix	trans	-60.9	-43.2	175	-176.4	92.1	0	0	0	111.4	V32 N177 D178 Q184 C185 I652	V32-L181 HydrophobicContact CB-CD2 4.1Å; V32-L181 HydrophobicContact CG1-CD2 3.56Å; V32-L181 HydrophobicContact CG2-CD2 4.32Å; N177-L181 WeakPolarHBondContact O-CB 3.47Å; N177-L181 PolarHBondContact O-N 3.41Å; D178-L181 WeakPolarHBondContact O-CB 3.02Å; D178-L181 PolarHBondContact O-N 2.58Å; L181-Q184 PolarHBondContact O-N 3.08Å; L181-C185 WeakPolarHBondContact O-CB 3.23Å; L181-C185 PolarHBondContact O-N 2.93Å; L181-I652 HydrophobicContact CD2-CD1 3.6Å; L181-I652 HydrophobicContact CD2-CG1 4.41Å; L181-I652 HydrophobicContact CG-CD1 4.15Å
182	I	93.4	Very high	91.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.8	-47.6	176.9	-65.5	168.4	0	0	0	110.5	L34 L63 I87 M173 D178 T179 Q180 Q184 C185 Y186 I652	L34-I182 HydrophobicContact CD1-CD1 4.09Å; L34-I182 HydrophobicContact CD2-CD1 3.84Å; L34-I182 HydrophobicContact CD2-CG1 4.2Å; L63-I182 HydrophobicContact CD1-CG2 3.89Å; L63-I182 HydrophobicContact CD2-CG2 4.48Å; I87-I182 HydrophobicContact CD1-CG2 3.12Å; I87-I182 HydrophobicContact CG1-CG2 4.19Å; M173-I182 HydrophobicContact CE-CD1 3.79Å; M173-I182 HydrophobicContact SD-CD1 3.78Å; D178-I182 WeakPolarHBondContact O-CG1 3.1Å; D178-I182 PolarHBondContact O-N 3.28Å; T179-I182 PolarHBondContact O-N 3.01Å; Q180-I182 VanDerWaalsContact C-N 3.33Å; Q180-I182 PolarHBondContact O-N 3.4Å; I182-Q184 VanDerWaalsContact C-N 3.33Å; I182-Q184 PolarHBondContact O-N 3.03Å; I182-C185 PolarHBondContact O-N 2.92Å; I182-Y186 PolarHBondContact O-N 3.49Å; I182-I652 HydrophobicContact CG1-CD1 4.14Å; I182-I652 HydrophobicContact CG1-CG2 4.02Å
183	R	93.5	Very high	90.4	Very high	47 Å²	47	61.8 Å²	61.8	18%	0.177	31%	0.307	C	S	.	.	H	α-helix	trans	-59.6	-43.8	176.8	-71.3	-179.1	-175.4	128.7	-2	111.2	E89 D175 T179 Q180 Y186 M187	E89-R183 IonicContact OE1-CZ 2.66Å; E89-R183 IonicContact OE1-NE 3.55Å; E89-R183 IonicContact OE1-NH2 2.7Å; E89-R183 PolarHBondContact OE1-NH2 3.39Å; E89-R183 IonicContact OE2-NH2 3.61Å; D175-R183 IonicContact OD1-CZ 2.78Å; D175-R183 IonicContact OD1-NH1 3.45Å; D175-R183 PolarHBondContact OD1-NH1 3.46Å; D175-R183 IonicContact OD1-NH2 3.38Å; D175-R183 PolarHBondContact OD1-NH2 3.37Å; T179-R183 WeakPolarHBondContact O-CG 3.29Å; T179-R183 PolarHBondContact O-N 3.31Å; Q180-R183 PolarHBondContact O-N 3.02Å; R183-Y186 WeakPolarHBondContact O-CB 3.17Å; R183-Y186 PolarHBondContact O-N 2.02Å; R183-M187 WeakPolarHBondContact O-CG 3.25Å; R183-M187 PolarHBondContact O-N 3.35Å
184	Q	94.4	Very high	89.6	Confident	102 Å²	102	69.4 Å²	69.4	48%	0.477	35%	0.347	S	S	.	.	H	α-helix	trans	-61.6	-46.1	176.9	-174.5	60.8	36.1	0	0	111.6	Q180 L181 I182 Y186 M187 D188	Q180-Q184 WeakPolarHBondContact O-CB 3.44Å; Q180-Q184 PolarHBondContact O-N 3.12Å; L181-Q184 PolarHBondContact O-N 3.08Å; I182-Q184 VanDerWaalsContact C-N 3.33Å; I182-Q184 PolarHBondContact O-N 3.03Å; Q184-Y186 VanDerWaalsContact C-N 3.29Å; Q184-Y186 PolarHBondContact O-N 2.63Å; Q184-M187 PolarHBondContact O-N 3.05Å; Q184-M187 VanDerWaalsContact O-N 3.1Å; Q184-D188 PolarHBondContact NE2-OD1 3.07Å; Q184-D188 PolarHBondContact NE2-OD2 2.89Å; Q184-D188 PolarHBondContact O-N 3.27Å
185	C	94.7	Very high	88.7	Confident	22 Å²	22	67.7 Å²	67.7	15%	0.149	36%	0.361	C	S	.	.	H	α-helix	trans	-60.7	-38.4	178	-160.9	0	0	0	0	112.3	L181 I182 H189 C203 I652	L181-C185 WeakPolarHBondContact O-CB 3.23Å; L181-C185 PolarHBondContact O-N 2.93Å; I182-C185 PolarHBondContact O-N 2.92Å; C185-H189 WeakPolarHBondContact O-CB 3.36Å; C185-H189 PolarHBondContact O-N 2.78Å; C185-C203 HydrophobicContact CB-CB 4.04Å; C185-C203 WeakPolarHBondContact CB-SG 3.42Å; C185-C203 WeakPolarHBondContact SG-CB 3.43Å; C185-C203 CovalentContact SG-SG 2.03Å; C185-C203 PolarHBondContact SG-SG 2.82Å; C185-I652 HydrophobicContact CB-CD1 4.44Å
186	Y	94.3	Very high	88.1	Confident	16 Å²	16	67.4 Å²	67.4	6%	0.063	36%	0.364	C	S	.	.	H	α-helix	trans	-63.5	-46.4	172.5	170.4	-96.4	0	0	0	112.1	L63 V65 I182 R183 Q184 D188 N190 R191	L63-Y186 WeakPolarHBondContact O-CD2 3.32Å; V65-Y186 HydrophobicContact CB-CD1 3.9Å; V65-Y186 HydrophobicContact CB-CD2 4.5Å; V65-Y186 HydrophobicContact CB-CE1 3.97Å; V65-Y186 HydrophobicContact CB-CG 4.18Å; V65-Y186 HydrophobicContact CG2-CD1 3.62Å; V65-Y186 HydrophobicContact CG2-CD2 4.13Å; V65-Y186 HydrophobicContact CG2-CE1 4.21Å; V65-Y186 HydrophobicContact CG2-CG 3.57Å; I182-Y186 PolarHBondContact O-N 3.49Å; R183-Y186 WeakPolarHBondContact O-CB 3.17Å; R183-Y186 PolarHBondContact O-N 2.02Å; Q184-Y186 VanDerWaalsContact C-N 3.29Å; Q184-Y186 PolarHBondContact O-N 2.63Å; Y186-D188 VanDerWaalsContact C-N 3.32Å; Y186-D188 PolarHBondContact O-N 3.45Å; Y186-N190 HydrophobicContact CD2-CB 3.53Å; Y186-N190 HydrophobicContact CE2-CB 3.83Å; Y186-N190 HydrophobicContact CG-CB 4.35Å; Y186-N190 WeakPolarHBondContact O-CA 3.49Å; Y186-N190 PolarHBondContact O-N 2.7Å; Y186-R191 PolarHBondContact O-N 2.95Å; Y186-R191 VanDerWaalsContact O-N 3.14Å
187	M	93.1	Very high	87.5	Confident	87 Å²	87	69.5 Å²	69.5	43%	0.429	37%	0.372	S	S	.	.	H	α-helix	trans	-62.4	-39	-179.6	-73.1	-61.2	-155.1	0	0	112.6	R183 Q184	R183-M187 WeakPolarHBondContact O-CG 3.25Å; R183-M187 PolarHBondContact O-N 3.35Å; Q184-M187 PolarHBondContact O-N 3.05Å; Q184-M187 VanDerWaalsContact O-N 3.1Å
188	D	93.5	Very high	87.3	Confident	102 Å²	102	64 Å²	64	55%	0.545	34%	0.344	S	S	.	.	H	α-helix	trans	-76.2	-34.3	-176.5	-68.3	-23	0	0	0	113	Q184 Y186	Q184-D188 PolarHBondContact NE2-OD1 3.07Å; Q184-D188 PolarHBondContact NE2-OD2 2.89Å; Q184-D188 PolarHBondContact O-N 3.27Å; Y186-D188 VanDerWaalsContact C-N 3.32Å; Y186-D188 PolarHBondContact O-N 3.45Å
189	H	93.6	Very high	87.1	Confident	57 Å²	57	70.5 Å²	70.5	26%	0.264	37%	0.374	S	S	.	.	H	α-helix	trans	-117.1	-33.3	-169.5	-69.2	-81.5	0	0	0	115.4	C185 P201 C203	C185-H189 WeakPolarHBondContact O-CB 3.36Å; C185-H189 PolarHBondContact O-N 2.78Å; H189-P201 PolarHBondContact ND1-O 2.83Å; H189-C203 HydrophobicContact CB-CB 4.11Å
190	N	92.8	Very high	87.1	Confident	8 Å²	8	75.1 Å²	75.1	4%	0.043	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-10	-165.7	-67.6	0.7	0	0	0	114	L63 Y186 P192 P198 L202 C203	L63-N190 PolarHBondContact N-ND2 2.87Å; L63-N190 PolarHBondContact O-ND2 2.73Å; Y186-N190 HydrophobicContact CD2-CB 3.53Å; Y186-N190 HydrophobicContact CE2-CB 3.83Å; Y186-N190 HydrophobicContact CG-CB 4.35Å; Y186-N190 WeakPolarHBondContact O-CA 3.49Å; Y186-N190 PolarHBondContact O-N 2.7Å; N190-P192 WeakPolarHBondContact O-CD 3.42Å; N190-P198 WeakPolarHBondContact O-CG 3.38Å; N190-L202 WeakPolarHBondContact OD1-CA 3.48Å; N190-L202 WeakPolarHBondContact OD1-CB 2.97Å; N190-C203 PolarHBondContact ND2-O 2.97Å; N190-C203 PolarHBondContact OD1-N 3.11Å
191	R	87.1	Confident	87.2	Confident	145 Å²	145	73.4 Å²	73.4	55%	0.547	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-71.1	126.5	-179.9	-170.2	-178.2	-175.1	-151.8	0.9	111.1	Y186 V193	Y186-R191 PolarHBondContact O-N 2.95Å; Y186-R191 VanDerWaalsContact O-N 3.14Å; R191-V193 PolarHBondContact O-N 3.35Å
192	P	80.9	Confident	87.4	Confident	50 Å²	50	69.9 Å²	69.9	33%	0.325	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-65.8	123.1	171.7	-18.1	31.3	0	0	0	110.6	N190 S196	N190-P192 WeakPolarHBondContact O-CD 3.42Å; P192-S196 WeakPolarHBondContact CB-O 3.48Å
193	V	76.3	Confident	87.5	Confident	89 Å²	89	69.9 Å²	69.9	54%	0.539	37%	0.37	S	S	.	.	S	Bend	trans	-98.5	123.3	174.5	-177.2	0	0	0	0	108.5	R191 G195 S196	R191-V193 PolarHBondContact O-N 3.35Å; V193-G195 VanDerWaalsContact C-N 3.28Å; V193-G195 PolarHBondContact O-N 3.32Å; V193-S196 WeakPolarHBondContact O-CB 3.38Å; V193-S196 PolarHBondContact O-N 3.18Å; V193-S196 PolarHBondContact O-OG 2.83Å
194	N	74.4	Confident	87.7	Confident	165 Å²	165	67.7 Å²	67.7	88%	0.882	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	35.8	177.4	-58.2	-31.4	0	0	0	114.9	S196	N194-S196 PolarHBondContact O-N 3.29Å
195	G	69.4	Low	87.8	Confident	73 Å²	73	62.8 Å²	62.8	75%	0.753	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	4.2	-179	0	0	0	0	0	114.8	V193	V193-G195 VanDerWaalsContact C-N 3.28Å; V193-G195 PolarHBondContact O-N 3.32Å
196	S	74.2	Confident	87.9	Confident	64 Å²	64	62.6 Å²	62.6	45%	0.448	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-80	155	172.4	71.5	0	0	0	0	111.4	P192 V193 N194	P192-S196 WeakPolarHBondContact CB-O 3.48Å; V193-S196 WeakPolarHBondContact O-CB 3.38Å; V193-S196 PolarHBondContact O-N 3.18Å; V193-S196 PolarHBondContact O-OG 2.83Å; N194-S196 PolarHBondContact O-N 3.29Å
197	H	77.8	Confident	88	Confident	88 Å²	88	61.8 Å²	61.8	41%	0.407	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-74.8	143.1	-179.3	-61.6	-68.1	0	0	0	111.2	R80 Q199	R80-H197 PolarHBondContact NE-CE1 3.45Å; R80-H197 VanDerWaalsContact NE-CE1 3.26Å; R80-H197 PolarHBondContact NE-NE2 2.78Å; R80-H197 PolarHBondContact NH1-CD2 2.62Å; R80-H197 VanDerWaalsContact NH1-CD2 3.25Å; R80-H197 PolarHBondContact NH1-NE2 3.18Å; R80-H197 VanDerWaalsContact NH1-NE2 3.2Å; R80-H197 PolarHBondContact NH2-NE2 3.02Å; R80-H197 VanDerWaalsContact NH2-NE2 3.1Å; H197-Q199 PolarHBondContact O-N 3.09Å
198	P	86.1	Confident	88.2	Confident	26 Å²	26	58.3 Å²	58.3	17%	0.169	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-55.3	132.1	174.1	-25.8	35.7	0	0	0	111.2	N190 L202	N190-P198 WeakPolarHBondContact O-CG 3.38Å; P198-L202 HydrophobicContact CB-CD2 3.55Å
199	Q	86.2	Confident	88.3	Confident	167 Å²	167	53.5 Å²	53.5	78%	0.78	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-90.9	145.6	177	-67.5	-169.6	-7.2	0	0	110.2	H197	H197-Q199 PolarHBondContact O-N 3.09Å
200	Y	89.7	Confident	88.4	Confident	97 Å²	97	53.6 Å²	53.6	38%	0.38	29%	0.292	S	S	.	.	S	Bend	trans	-66.4	147.9	173.4	-76.3	-86.3	0	0	0	111.2	L202 V655 A656 S657	Y200-L202 HydrophobicContact CD1-CB 4.39Å; Y200-L202 HydrophobicContact CD1-CD1 4.09Å; Y200-L202 HydrophobicContact CD1-CG 3.77Å; Y200-L202 HydrophobicContact CE1-CB 4.43Å; Y200-L202 HydrophobicContact CE1-CD1 3.63Å; Y200-L202 HydrophobicContact CE1-CG 3.83Å; Y200-L202 HydrophobicContact CE2-CD1 4.3Å; Y200-L202 HydrophobicContact CG-CG 4.24Å; Y200-V655 WeakPolarHBondContact CD1-O 3.36Å; Y200-V655 HydrophobicContact CE1-CG2 4.39Å; Y200-A656 VanDerWaalsContact CE1-O 3.23Å; Y200-A656 WeakPolarHBondContact CE1-O 3.41Å; Y200-S657 VanDerWaalsContact CD2-CB 3.46Å
201	P	93.8	Very high	88.6	Confident	61 Å²	61	53.3 Å²	53.3	40%	0.396	29%	0.291	S	S	.	.	S	Bend	cis	-77.8	142.6	3.9	31.9	-35	0	0	0	113.3	H189 L654 V655	H189-P201 PolarHBondContact ND1-O 2.83Å; P201-L654 HydrophobicContact CB-CB 4.3Å; P201-L654 HydrophobicContact CG-CD1 4.37Å; P201-V655 WeakPolarHBondContact CA-O 3.46Å
202	L	95.5	Very high	89	Confident	1 Å²	1	48 Å²	48	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	153.4	177.4	-58.1	176	0	0	0	110.5	V62 N81 N190 P198 Y200 L654 V655	V62-L202 HydrophobicContact CG1-CB 4.27Å; V62-L202 HydrophobicContact CG1-CD1 4.15Å; V62-L202 HydrophobicContact CG2-CD1 4.23Å; N81-L202 HydrophobicContact CB-CD1 4.26Å; N81-L202 VanDerWaalsContact ND2-CD1 3.35Å; N81-L202 WeakPolarHBondContact ND2-CD1 3.3Å; N190-L202 WeakPolarHBondContact OD1-CA 3.48Å; N190-L202 WeakPolarHBondContact OD1-CB 2.97Å; P198-L202 HydrophobicContact CB-CD2 3.55Å; Y200-L202 HydrophobicContact CD1-CB 4.39Å; Y200-L202 HydrophobicContact CD1-CD1 4.09Å; Y200-L202 HydrophobicContact CD1-CG 3.77Å; Y200-L202 HydrophobicContact CE1-CB 4.43Å; Y200-L202 HydrophobicContact CE1-CD1 3.63Å; Y200-L202 HydrophobicContact CE1-CG 3.83Å; Y200-L202 HydrophobicContact CE2-CD1 4.3Å; Y200-L202 HydrophobicContact CG-CG 4.24Å; L202-L654 CarbonylContact O-C 3.46Å; L202-L654 VanDerWaalsContact O-CA 3.3Å; L202-L654 WeakPolarHBondContact O-CA 3.27Å; L202-V655 HydrophobicContact CB-CG2 3.82Å; L202-V655 PolarHBondContact N-O 3.44Å; L202-V655 VanDerWaalsContact N-O 3.12Å; L202-V655 WeakPolarHBondContact O-CG2 3.5Å; L202-V655 PolarHBondContact O-N 3.39Å
203	C	96.9	Very high	89.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	129.2	171.2	-162.9	0	0	0	0	110.8	L63 C185 H189 N190 L654	L63-C203 HydrophobicContact CD1-CB 4.32Å; L63-C203 PolarHBondContact N-O 3.45Å; C185-C203 HydrophobicContact CB-CB 4.04Å; C185-C203 WeakPolarHBondContact CB-SG 3.42Å; C185-C203 WeakPolarHBondContact SG-CB 3.43Å; C185-C203 CovalentContact SG-SG 2.03Å; C185-C203 PolarHBondContact SG-SG 2.82Å; H189-C203 HydrophobicContact CB-CB 4.11Å; N190-C203 PolarHBondContact ND2-O 2.97Å; N190-C203 PolarHBondContact OD1-N 3.11Å; C203-L654 HydrophobicContact CB-CD2 4.18Å
204	A	97.2	Very high	90.5	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.008	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	158.2	178.3	0	0	0	0	0	110.6	V60 G61 I652 F653 V655	V60-A204 HydrophobicContact CG1-CB 4.28Å; G61-A204 VanDerWaalsContact O-CA 3.29Å; G61-A204 WeakPolarHBondContact O-CA 3.3Å; G61-A204 WeakPolarHBondContact O-CB 3.5Å; A204-I652 VanDerWaalsContact O-CA 3.32Å; A204-I652 WeakPolarHBondContact O-CA 3.21Å; A204-F653 HydrophobicContact CB-CE2 4.45Å; A204-F653 PolarHBondContact N-O 2.87Å; A204-F653 PolarHBondContact O-N 2.93Å; A204-F653 VanDerWaalsContact O-O 3.13Å; A204-V655 HydrophobicContact CB-CB 4.5Å; A204-V655 HydrophobicContact CB-CG1 3.58Å; A204-V655 HydrophobicContact CB-CG2 4.13Å
205	M	97	Very high	91.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	144.4	173.4	176.1	163.6	72	0	0	109.3	L34 V60 G61 L63 M85 I87 A112 L207 R651 I652	L34-M205 HydrophobicContact CD1-SD 3.96Å; V60-M205 WeakPolarHBondContact CA-O 3.22Å; G61-M205 PolarHBondContact N-O 2.85Å; G61-M205 PolarHBondContact O-N 3.24Å; L63-M205 HydrophobicContact CD1-CB 4.39Å; L63-M205 HydrophobicContact CD2-CB 3.33Å; L63-M205 HydrophobicContact CD2-CE 3.81Å; L63-M205 HydrophobicContact CD2-CG 4.3Å; L63-M205 HydrophobicContact CD2-SD 4.17Å; L63-M205 HydrophobicContact CG-CB 3.91Å; M85-M205 HydrophobicContact CB-CB 4.4Å; M85-M205 HydrophobicContact CB-CE 4.4Å; M85-M205 WeakPolarHBondContact CE-O 3.5Å; M85-M205 HydrophobicContact CG-CB 3.96Å; M85-M205 HydrophobicContact CG-CE 3.17Å; M85-M205 HydrophobicContact CG-CG 4.18Å; M85-M205 HydrophobicContact CG-SD 4.49Å; M85-M205 HydrophobicContact SD-CE 4.09Å; I87-M205 HydrophobicContact CG1-CE 4.18Å; A112-M205 HydrophobicContact CB-CE 3.7Å; M205-L207 HydrophobicContact CE-CD1 4.3Å; M205-L207 HydrophobicContact CE-CD2 4.41Å; M205-L207 HydrophobicContact CE-CG 4.45Å; M205-L207 HydrophobicContact CG-CD2 4.14Å; M205-L207 HydrophobicContact CG-CG 4.32Å; M205-L207 HydrophobicContact SD-CD2 4.1Å; M205-R651 CarbonylContact C-O 3.48Å; M205-R651 WeakPolarHBondContact CA-O 3.23Å; M205-I652 HydrophobicContact CB-CG2 3.9Å; M205-I652 HydrophobicContact CG-CG2 3.96Å; M205-I652 HydrophobicContact SD-CG2 4.09Å
206	Q	96.9	Very high	92.7	Very high	17 Å²	17	37.7 Å²	37.7	8%	0.079	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128	172.6	-176.4	176	16.9	0	0	109.8	S57 D59 V60 G650 R651 F653	S57-Q206 PolarHBondContact O-NE2 3.16Å; D59-Q206 VanDerWaalsContact O-CA 3.23Å; D59-Q206 WeakPolarHBondContact O-CA 3.45Å; V60-Q206 HydrophobicContact CG2-CB 3.95Å; V60-Q206 HydrophobicContact CG2-CG 3.74Å; Q206-G650 WeakPolarHBondContact O-CA 3.38Å; Q206-R651 HydrophobicContact CB-CG 4.08Å; Q206-R651 PolarHBondContact N-O 3.48Å; Q206-R651 PolarHBondContact O-N 2.86Å; Q206-F653 HydrophobicContact CB-CE1 3.83Å; Q206-F653 HydrophobicContact CB-CZ 4.48Å
207	L	96.7	Very high	93.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.8	172.5	-58.6	177	0	0	0	108.7	G58 D59 M85 P169 F171 M205	G58-L207 WeakPolarHBondContact CA-O 3.23Å; D59-L207 PolarHBondContact N-O 3.3Å; D59-L207 PolarHBondContact O-N 3.37Å; M85-L207 HydrophobicContact CE-CB 4.29Å; M85-L207 HydrophobicContact CE-CD1 4.16Å; M85-L207 HydrophobicContact CE-CG 3.91Å; M85-L207 HydrophobicContact SD-CD1 3.61Å; M85-L207 HydrophobicContact SD-CG 4.01Å; P169-L207 HydrophobicContact CB-CB 4.05Å; P169-L207 HydrophobicContact CB-CD1 4.49Å; P169-L207 HydrophobicContact CG-CB 3.71Å; P169-L207 HydrophobicContact CG-CD1 4.33Å; F171-L207 HydrophobicContact CB-CD1 4.35Å; F171-L207 HydrophobicContact CD1-CB 4.45Å; F171-L207 HydrophobicContact CD1-CD1 4.09Å; F171-L207 HydrophobicContact CD2-CD2 3.79Å; F171-L207 HydrophobicContact CE1-CB 4.2Å; F171-L207 HydrophobicContact CE2-CD2 4.1Å; F171-L207 HydrophobicContact CG-CD1 4.14Å; F171-L207 HydrophobicContact CG-CD2 4.08Å; F171-L207 HydrophobicContact CZ-CB 4.28Å; M205-L207 HydrophobicContact CE-CD1 4.3Å; M205-L207 HydrophobicContact CE-CD2 4.41Å; M205-L207 HydrophobicContact CE-CG 4.45Å; M205-L207 HydrophobicContact CG-CD2 4.14Å; M205-L207 HydrophobicContact CG-CG 4.32Å; M205-L207 HydrophobicContact SD-CD2 4.1Å
208	S	96.2	Very high	94.7	Very high	14 Å²	14	31.6 Å²	31.6	10%	0.098	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	115	176	-63.2	0	0	0	0	108.3	G58 I648 K649	G58-S208 WeakPolarHBondContact CA-OG 3.26Å; S208-I648 VanDerWaalsContact O-CA 3.24Å; S208-I648 WeakPolarHBondContact O-CA 3.42Å; S208-K649 PolarHBondContact N-O 2.93Å; S208-K649 PolarHBondContact O-N 3.39Å
209	S	95.8	Very high	95.2	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.007	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	60.1	174.2	-171.1	0	0	0	0	108.8	S54 M211	S54-S209 PolarHBondContact N-O 3.3Å; S54-S209 VanDerWaalsContact OG-C 3.24Å; S54-S209 PolarHBondContact OG-N 3.15Å; S209-M211 PolarHBondContact O-N 2.84Å; S209-M211 WeakPolarHBondContact OG-CE 3.43Å
210	H	96.4	Very high	95.6	Very high	59 Å²	59	23.7 Å²	23.7	27%	0.273	13%	0.132	S	C	.	.			trans	-75.3	125.2	-177.3	-176.9	67.1	0	0	0	110.8	S54 L56 W645	S54-H210 PolarHBondContact O-ND1 2.94Å; S54-H210 PolarHBondContact OG-N 2.88Å; L56-H210 VanDerWaalsContact CD1-CD2 3.46Å; L56-H210 WeakPolarHBondContact CD1-CD2 3.05Å; H210-W645 WeakPolarHBondContact O-CB 3.34Å
211	M	95.9	Very high	95.8	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.01	12%	0.12	C	C	.	.			trans	-103.9	123.6	-177.7	-63.3	-66.1	157.6	0	0	109.8	V41 R42 C52 Q53 S209 S643 W645 I648	V41-M211 HydrophobicContact CB-CE 4.08Å; V41-M211 HydrophobicContact CG1-CE 4.05Å; R42-M211 HydrophobicContact CB-CB 3.84Å; R42-M211 HydrophobicContact CB-CG 3.65Å; R42-M211 HydrophobicContact CB-SD 4.14Å; C52-M211 WeakPolarHBondContact O-CG 3.47Å; Q53-M211 HydrophobicContact CB-CB 4.07Å; Q53-M211 HydrophobicContact CB-CG 4.02Å; S209-M211 PolarHBondContact O-N 2.84Å; S209-M211 WeakPolarHBondContact OG-CE 3.43Å; M211-S643 WeakPolarHBondContact CB-OG 3.35Å; M211-W645 HydrophobicContact CE-CB 4.35Å; M211-W645 HydrophobicContact CE-CD2 4.4Å; M211-W645 HydrophobicContact CE-CE3 4.09Å; M211-W645 HydrophobicContact SD-CB 4.17Å; M211-W645 HydrophobicContact SD-CD2 4.41Å; M211-W645 HydrophobicContact SD-CE3 3.72Å; M211-I648 HydrophobicContact CE-CD1 4.37Å
212	S	95.1	Very high	95.7	Very high	34 Å²	34	25 Å²	25	24%	0.238	13%	0.13	C	C	.	.			trans	-72.8	-30.7	-173.5	-49.1	0	0	0	0	113.4	R223 V235 S643 R644	S212-R223 PolarHBondContact O-NH1 3.47Å; S212-V235 WeakPolarHBondContact O-CG1 3.36Å; S212-S643 PolarHBondContact N-OG 3.26Å; S212-S643 VanDerWaalsContact N-OG 3.08Å; S212-R644 VanDerWaalsContact CB-O 3.3Å; S212-R644 WeakPolarHBondContact CB-O 3.48Å; S212-R644 PolarHBondContact N-O 2.72Å; S212-R644 PolarHBondContact OG-O 2.9Å
213	A	94.9	Very high	95.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.147	C	C	.	.			trans	-83.8	150.2	-176.3	0	0	0	0	0	112.5	R42 L44 C220 V235 C236 S643	R42-A213 WeakPolarHBondContact CD-O 3.42Å; R42-A213 PolarHBondContact NH1-O 3.16Å; L44-A213 HydrophobicContact CD1-CB 3.64Å; L44-A213 HydrophobicContact CD2-CB 4.04Å; L44-A213 HydrophobicContact CG-CB 4.47Å; A213-C220 HydrophobicContact CB-CB 4.38Å; A213-V235 HydrophobicContact CB-CG1 4.04Å; A213-C236 HydrophobicContact CB-CB 4.04Å; A213-S643 WeakPolarHBondContact CB-OG 3.24Å; A213-S643 PolarHBondContact N-OG 3.43Å
214	V	94.2	Very high	95.2	Very high	56 Å²	56	30.8 Å²	30.8	34%	0.339	15%	0.153	S	C	.	.			trans	-145.1	157.3	-178.6	-62.7	0	0	0	0	111.5	Q49 N216	Q49-V214 VanDerWaalsContact OE1-C 3.29Å; Q49-V214 VanDerWaalsContact OE1-CA 3.29Å; V214-N216 PolarHBondContact O-N 3.41Å
215	T	94.8	Very high	94.5	Very high	77 Å²	77	35 Å²	35	47%	0.472	18%	0.183	S	C	.	.	S	Bend	trans	71.6	-76.6	174.6	-44.8	0	0	0	0	114.6	H48 Q49	H48-T215 CarbonylContact C-O 3.27Å; Q49-T215 PolarHBondContact N-O 3.15Å
216	N	96.7	Very high	93.7	Very high	27 Å²	27	39 Å²	39	14%	0.144	20%	0.203	C	C	.	.			trans	-165.2	169.3	-174.1	55.7	35	0	0	0	111.6	N45 V214 P218 T219 C220	N45-N216 WeakPolarHBondContact O-CB 3.44Å; V214-N216 PolarHBondContact O-N 3.41Å; N216-P218 WeakPolarHBondContact OD1-CD 3.4Å; N216-T219 PolarHBondContact O-N 2.82Å; N216-T219 WeakPolarHBondContact OD1-CB 3.12Å; N216-T219 PolarHBondContact OD1-N 2.77Å; N216-T219 PolarHBondContact OD1-OG1 3.46Å; N216-C220 PolarHBondContact O-N 3.02Å
217	T	96.8	Very high	92.2	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-55.6	-47.9	179.3	-63.8	0	0	0	0	113.1	L44 N45 T219 C220 M221 F627 T639 T641	L44-T217 VanDerWaalsContact C-OG1 3.3Å; L44-T217 PolarHBondContact O-OG1 3.25Å; L44-T217 VanDerWaalsContact O-OG1 3.08Å; N45-T217 WeakPolarHBondContact CA-OG1 3.37Å; N45-T217 WeakPolarHBondContact O-CB 3.34Å; N45-T217 PolarHBondContact O-N 3.22Å; N45-T217 PolarHBondContact O-OG1 3.39Å; T217-T219 VanDerWaalsContact C-N 3.32Å; T217-T219 PolarHBondContact O-N 2.91Å; T217-C220 PolarHBondContact O-N 3.28Å; T217-C220 VanDerWaalsContact O-N 3.16Å; T217-M221 HydrophobicContact CG2-CG 3.91Å; T217-M221 WeakPolarHBondContact O-CB 3.46Å; T217-M221 WeakPolarHBondContact O-CG 3.39Å; T217-M221 PolarHBondContact O-N 3.05Å; T217-F627 HydrophobicContact CG2-CE1 3.85Å; T217-F627 HydrophobicContact CG2-CZ 4.16Å; T217-T639 WeakPolarHBondContact CB-O 3.43Å; T217-T639 WeakPolarHBondContact CG2-O 3.47Å; T217-T639 PolarHBondContact OG1-O 3.13Å; T217-T641 HydrophobicContact CG2-CG2 3.47Å; T217-T641 VanDerWaalsContact CG2-CG2 3.47Å; T217-T641 PolarHBondContact OG1-OG1 2.89Å
218	P	96.5	Very high	91.1	Very high	24 Å²	24	52.3 Å²	52.3	16%	0.156	27%	0.274	C	S	.	.	H	α-helix	trans	-56.7	-43.1	176.9	-25.3	31.7	0	0	0	113.5	N216 C220 R222 T633	N216-P218 WeakPolarHBondContact OD1-CD 3.4Å; P218-C220 VanDerWaalsContact C-N 3.35Å; P218-R222 WeakPolarHBondContact O-CB 3.25Å; P218-R222 PolarHBondContact O-N 2.85Å; P218-T633 HydrophobicContact CB-CG2 4.22Å; P218-T633 HydrophobicContact CG-CG2 3.67Å
219	T	95.6	Very high	89.8	Confident	27 Å²	27	54.7 Å²	54.7	17%	0.166	29%	0.29	C	S	.	.	H	α-helix	trans	-66.3	-41.3	178.3	-61.9	0	0	0	0	110.9	N216 T217 R223	N216-T219 PolarHBondContact O-N 2.82Å; N216-T219 WeakPolarHBondContact OD1-CB 3.12Å; N216-T219 PolarHBondContact OD1-N 2.77Å; N216-T219 PolarHBondContact OD1-OG1 3.46Å; T217-T219 VanDerWaalsContact C-N 3.32Å; T217-T219 PolarHBondContact O-N 2.91Å; T219-R223 WeakPolarHBondContact O-CG 3.11Å; T219-R223 PolarHBondContact O-N 2.82Å
220	C	95	Very high	88.6	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-68	-51.8	180	-172.5	0	0	0	0	112.6	A213 N216 T217 P218 R222 R223 N224 C236	A213-C220 HydrophobicContact CB-CB 4.38Å; N216-C220 PolarHBondContact O-N 3.02Å; T217-C220 PolarHBondContact O-N 3.28Å; T217-C220 VanDerWaalsContact O-N 3.16Å; P218-C220 VanDerWaalsContact C-N 3.35Å; C220-R222 VanDerWaalsContact C-N 3.28Å; C220-R222 PolarHBondContact O-N 2.75Å; C220-R223 WeakPolarHBondContact O-CB 3.38Å; C220-R223 PolarHBondContact O-N 2.88Å; C220-N224 PolarHBondContact O-N 3.14Å; C220-N224 VanDerWaalsContact O-N 3.14Å; C220-C236 HydrophobicContact CB-CB 4.16Å; C220-C236 WeakPolarHBondContact CB-SG 3.21Å; C220-C236 WeakPolarHBondContact SG-CB 3.32Å; C220-C236 PolarHBondContact SG-N 3.31Å; C220-C236 VanDerWaalsContact SG-N 3.41Å; C220-C236 CovalentContact SG-SG 2Å; C220-C236 PolarHBondContact SG-SG 3.26Å
221	M	94.3	Very high	87.4	Confident	27 Å²	27	65.4 Å²	65.4	13%	0.133	35%	0.352	C	S	.	.	H	α-helix	trans	-61	-37.9	179	-66.3	-57.4	-67.1	0	0	111.8	T217 R223 N224 S225 F627 Y632 T641	T217-M221 HydrophobicContact CG2-CG 3.91Å; T217-M221 WeakPolarHBondContact O-CB 3.46Å; T217-M221 WeakPolarHBondContact O-CG 3.39Å; T217-M221 PolarHBondContact O-N 3.05Å; M221-R223 VanDerWaalsContact C-N 3.28Å; M221-R223 PolarHBondContact O-N 2.98Å; M221-N224 WeakPolarHBondContact O-CB 3.42Å; M221-N224 PolarHBondContact O-N 2.68Å; M221-S225 PolarHBondContact O-N 3.42Å; M221-F627 HydrophobicContact CE-CD1 4.23Å; M221-F627 HydrophobicContact CG-CE1 4.32Å; M221-F627 HydrophobicContact SD-CE1 4.35Å; M221-Y632 HydrophobicContact CB-CD2 3.68Å; M221-Y632 HydrophobicContact CB-CE1 4.39Å; M221-Y632 HydrophobicContact CB-CE2 3.41Å; M221-Y632 VanDerWaalsContact CB-CE2 3.41Å; M221-Y632 HydrophobicContact CB-CG 4.27Å; M221-Y632 HydrophobicContact CE-CE1 4.33Å; M221-Y632 HydrophobicContact CG-CD1 4.3Å; M221-Y632 HydrophobicContact CG-CD2 4.21Å; M221-Y632 HydrophobicContact CG-CE1 4.22Å; M221-Y632 HydrophobicContact CG-CE2 4.11Å; M221-Y632 HydrophobicContact CG-CG 4.31Å; M221-T641 HydrophobicContact SD-CG2 4.25Å
222	R	92.3	Very high	86.1	Confident	157 Å²	157	69.5 Å²	69.5	59%	0.592	37%	0.374	S	S	*	.	H	α-helix	trans	-61	-34.6	172.9	-178.3	179.5	64.8	-158.7	-4.3	112.8	P218 C220 S225 I226	P218-R222 WeakPolarHBondContact O-CB 3.25Å; P218-R222 PolarHBondContact O-N 2.85Å; C220-R222 VanDerWaalsContact C-N 3.28Å; C220-R222 PolarHBondContact O-N 2.75Å; R222-S225 PolarHBondContact O-OG 3.4Å; R222-I226 VanDerWaalsContact O-CG1 3.28Å; R222-I226 WeakPolarHBondContact O-CG1 3.4Å
223	R	90.9	Very high	85.4	Confident	100 Å²	100	73.6 Å²	73.6	38%	0.377	39%	0.389	S	S	.	.	H	α-helix	trans	-71.1	-36.5	176.4	-73.5	173.4	66	-159.7	-4	111.5	S212 T219 C220 M221 S225 I226 V235	S212-R223 PolarHBondContact O-NH1 3.47Å; T219-R223 WeakPolarHBondContact O-CG 3.11Å; T219-R223 PolarHBondContact O-N 2.82Å; C220-R223 WeakPolarHBondContact O-CB 3.38Å; C220-R223 PolarHBondContact O-N 2.88Å; M221-R223 VanDerWaalsContact C-N 3.28Å; M221-R223 PolarHBondContact O-N 2.98Å; R223-S225 VanDerWaalsContact C-N 3.27Å; R223-S225 PolarHBondContact O-N 3.07Å; R223-I226 PolarHBondContact O-N 3.48Å; R223-V235 HydrophobicContact CB-CG2 4.27Å
224	N	89.4	Confident	85	Confident	24 Å²	24	78 Å²	78	13%	0.128	41%	0.411	C	S	.	.	H	α-helix	trans	-64	-31.6	175.5	-69.5	-4.7	0	0	0	112.9	C220 M221 I226 N232 V235 C236	C220-N224 PolarHBondContact O-N 3.14Å; C220-N224 VanDerWaalsContact O-N 3.14Å; M221-N224 WeakPolarHBondContact O-CB 3.42Å; M221-N224 PolarHBondContact O-N 2.68Å; N224-I226 VanDerWaalsContact C-N 3.32Å; N224-I226 PolarHBondContact O-N 3.08Å; N224-N232 PolarHBondContact O-ND2 2.92Å; N224-V235 WeakPolarHBondContact OD1-CB 3.13Å; N224-V235 PolarHBondContact OD1-N 2.78Å; N224-C236 PolarHBondContact ND2-O 2.86Å
225	S	83.6	Confident	85	Confident	89 Å²	89	75.8 Å²	75.8	62%	0.622	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-1.1	-178	70.3	0	0	0	0	114.3	M221 R222 R223 S227	M221-S225 PolarHBondContact O-N 3.42Å; R222-S225 PolarHBondContact O-OG 3.4Å; R223-S225 VanDerWaalsContact C-N 3.27Å; R223-S225 PolarHBondContact O-N 3.07Å; S225-S227 PolarHBondContact O-N 3.36Å
226	I	80	Confident	84.9	Confident	85 Å²	85	72.1 Å²	72.1	44%	0.436	38%	0.375	S	S	.	.			trans	-76.1	95.2	-179.1	-57.8	179	0	0	0	109.6	R222 R223 N224 F228 N232	R222-I226 VanDerWaalsContact O-CG1 3.28Å; R222-I226 WeakPolarHBondContact O-CG1 3.4Å; R223-I226 PolarHBondContact O-N 3.48Å; N224-I226 VanDerWaalsContact C-N 3.32Å; N224-I226 PolarHBondContact O-N 3.08Å; I226-F228 HydrophobicContact CG2-CB 4.29Å; I226-F228 HydrophobicContact CG2-CD2 3.97Å; I226-F228 PolarHBondContact O-N 3.03Å; I226-F228 VanDerWaalsContact O-N 3.13Å; I226-N232 PolarHBondContact O-OD1 3.46Å
227	S	66.1	Low	84.8	Confident	100 Å²	100	71.9 Å²	71.9	70%	0.699	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	11.1	-177	76.5	0	0	0	0	115.5	S225	S225-S227 PolarHBondContact O-N 3.36Å
228	F	71.9	Confident	84.8	Confident	195 Å²	195	73 Å²	73	86%	0.855	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-7.9	-175	-68.6	-70.9	0	0	0	114.1	I226	I226-F228 HydrophobicContact CG2-CB 4.29Å; I226-F228 HydrophobicContact CG2-CD2 3.97Å; I226-F228 PolarHBondContact O-N 3.03Å; I226-F228 VanDerWaalsContact O-N 3.13Å
229	S	69.6	Low	84.8	Confident	64 Å²	64	71.9 Å²	71.9	45%	0.448	37%	0.374	S	S	.	.			trans	-92.3	134.8	179.5	-175.6	0	0	0	0	111.6	S231	S229-S231 WeakPolarHBondContact CB-O 3.28Å; S229-S231 PolarHBondContact O-N 3.46Å; S229-S231 PolarHBondContact OG-N 3.29Å; S229-S231 PolarHBondContact OG-O 3.06Å
230	M	70.7	Confident	84.8	Confident	206 Å²	206	70.9 Å²	70.9	100%	1.015	37%	0.368	S	S	*	.	S	Bend	trans	-64.3	-21.4	171.7	-68.9	-176.9	68.5	0	0	112.7
231	S	71.5	Confident	84.8	Confident	80 Å²	80	71 Å²	71	56%	0.559	37%	0.369	S	S	*	.	S	Bend	trans	-123.2	102.3	170.8	57.4	0	0	0	0	108.9	S229 E233	S229-S231 WeakPolarHBondContact CB-O 3.28Å; S229-S231 PolarHBondContact O-N 3.46Å; S229-S231 PolarHBondContact OG-N 3.29Å; S229-S231 PolarHBondContact OG-O 3.06Å; S231-E233 PolarHBondContact O-N 3.32Å; S231-E233 VanDerWaalsContact O-N 3.07Å
232	N	68.6	Low	84.9	Confident	87 Å²	87	71.2 Å²	71.2	47%	0.465	37%	0.369	S	S	.	.			trans	-76.5	97.7	-179.8	-152.2	24.6	0	0	0	109.4	N224 I226 M234	N224-N232 PolarHBondContact O-ND2 2.92Å; I226-N232 PolarHBondContact O-OD1 3.46Å; N232-M234 PolarHBondContact O-N 3.39Å
233	E	79.8	Confident	85.1	Confident	121 Å²	121	63.8 Å²	63.8	57%	0.565	34%	0.341	S	S	*	.			trans	-82.3	108.6	172.8	-71.4	-163.6	142.7	0	0	109.2	S231 V235 K646	S231-E233 PolarHBondContact O-N 3.32Å; S231-E233 VanDerWaalsContact O-N 3.07Å; E233-V235 WeakPolarHBondContact O-CG2 3.18Å; E233-K646 IonicContact OE1-NZ 2.81Å; E233-K646 PolarHBondContact OE1-NZ 3.47Å
234	M	87.3	Confident	85.5	Confident	93 Å²	93	59 Å²	59	46%	0.458	32%	0.323	S	S	.	.			trans	-68.7	139.9	168.7	-64.1	179.3	-177.4	0	0	109.7	N232 R644	N232-M234 PolarHBondContact O-N 3.39Å; M234-R644 WeakPolarHBondContact O-CD 3.21Å; M234-R644 PolarHBondContact SD-NH2 3.24Å; M234-R644 VanDerWaalsContact SD-NH2 3.39Å
235	V	93.1	Very high	85.8	Confident	9 Å²	9	58.3 Å²	58.3	6%	0.055	32%	0.319	C	S	.	.			trans	-111.6	-32	-167.7	-170.5	0	0	0	0	112.1	S212 A213 R223 N224 E233 R644	S212-V235 WeakPolarHBondContact O-CG1 3.36Å; A213-V235 HydrophobicContact CB-CG1 4.04Å; R223-V235 HydrophobicContact CB-CG2 4.27Å; N224-V235 WeakPolarHBondContact OD1-CB 3.13Å; N224-V235 PolarHBondContact OD1-N 2.78Å; E233-V235 WeakPolarHBondContact O-CG2 3.18Å; V235-R644 PolarHBondContact O-N 3.44Å
236	C	94.3	Very high	86.5	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	169.6	170.6	56.5	0	0	0	0	109.8	L44 A213 C220 N224 E642	L44-C236 HydrophobicContact CD1-CB 4.32Å; A213-C236 HydrophobicContact CB-CB 4.04Å; C220-C236 HydrophobicContact CB-CB 4.16Å; C220-C236 WeakPolarHBondContact CB-SG 3.21Å; C220-C236 WeakPolarHBondContact SG-CB 3.32Å; C220-C236 PolarHBondContact SG-N 3.31Å; C220-C236 VanDerWaalsContact SG-N 3.41Å; C220-C236 CovalentContact SG-SG 2Å; C220-C236 PolarHBondContact SG-SG 3.26Å; N224-C236 PolarHBondContact ND2-O 2.86Å; C236-E642 CarbonylContact C-O 3.53Å; C236-E642 WeakPolarHBondContact CA-O 3.49Å; C236-E642 WeakPolarHBondContact CB-O 3.28Å
237	D	94.8	Very high	87.2	Confident	22 Å²	22	50.1 Å²	50.1	12%	0.118	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	152.8	171.8	-56.7	-74.4	0	0	0	110.7	V546 T641 E642 R644	D237-V546 HydrophobicContact CB-CB 4.11Å; D237-V546 HydrophobicContact CB-CG1 3.21Å; D237-V546 HydrophobicContact CB-CG2 3.74Å; D237-T641 CarbonylContact O-C 3.07Å; D237-T641 WeakPolarHBondContact O-CA 3.23Å; D237-T641 WeakPolarHBondContact O-CB 3.46Å; D237-E642 PolarHBondContact N-O 2.9Å; D237-E642 PolarHBondContact O-N 3.46Å; D237-R644 IonicContact OD1-CZ 2.63Å; D237-R644 IonicContact OD1-NE 2.66Å; D237-R644 PolarHBondContact OD1-NE 3.31Å; D237-R644 IonicContact OD1-NH2 3.27Å; D237-R644 PolarHBondContact OD1-NH2 2.94Å; D237-R644 VanDerWaalsContact OD2-CG 3.32Å; D237-R644 WeakPolarHBondContact OD2-CG 3.45Å; D237-R644 IonicContact OD2-CZ 3.93Å; D237-R644 IonicContact OD2-NE 3.55Å; D237-R644 PolarHBondContact OD2-NE 3.03Å; D237-R644 IonicContact OD2-NH2 3.39Å; D237-R644 PolarHBondContact OD2-NH2 3.22Å
238	P	96.1	Very high	88.5	Confident	24 Å²	24	46.8 Å²	46.8	16%	0.156	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	142.3	168.7	27.2	-34.1	0	0	0	111.1	S240 I623 F627	P238-S240 PolarHBondContact O-N 2.83Å; P238-I623 HydrophobicContact CB-CD1 4.14Å; P238-I623 HydrophobicContact CB-CG1 4.47Å; P238-I623 HydrophobicContact CG-CD1 3.91Å; P238-F627 HydrophobicContact CB-CD1 3.96Å; P238-F627 HydrophobicContact CB-CD2 3.81Å; P238-F627 HydrophobicContact CB-CE1 3.93Å; P238-F627 HydrophobicContact CB-CE2 3.78Å; P238-F627 HydrophobicContact CB-CG 3.91Å; P238-F627 HydrophobicContact CB-CZ 3.84Å
239	L	96.1	Very high	89.4	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-68.1	122.8	164.5	-67.5	-173	0	0	0	108.3	F324 I327 I544 W640 E642	L239-F324 HydrophobicContact CD1-CB 4.31Å; L239-F324 HydrophobicContact CD1-CD1 3.68Å; L239-F324 HydrophobicContact CD1-CD2 3.87Å; L239-F324 HydrophobicContact CD1-CE1 3.89Å; L239-F324 HydrophobicContact CD1-CE2 4.06Å; L239-F324 HydrophobicContact CD1-CG 3.68Å; L239-F324 HydrophobicContact CD1-CZ 4.08Å; L239-I327 HydrophobicContact CB-CD1 3.83Å; L239-I544 HydrophobicContact CB-CG2 4.47Å; L239-I544 HydrophobicContact CD1-CG2 4.28Å; L239-W640 HydrophobicContact CD1-CB 3.73Å; L239-W640 HydrophobicContact CG-CB 4.2Å; L239-W640 PolarHBondContact N-O 3.27Å; L239-W640 VanDerWaalsContact N-O 3.15Å; L239-E642 HydrophobicContact CD2-CB 3.66Å
240	S	95.6	Very high	90.4	Very high	5 Å²	5	41.3 Å²	41.3	4%	0.035	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	145.6	-177.3	53.6	0	0	0	0	112	P238 S545 E547 A622	P238-S240 PolarHBondContact O-N 2.83Å; S240-S545 PolarHBondContact N-O 3.18Å; S240-S545 VanDerWaalsContact N-O 3.14Å; S240-E547 WeakPolarHBondContact O-CB 3.38Å; S240-E547 PolarHBondContact O-N 2.99Å; S240-E547 WeakPolarHBondContact OG-CB 3.45Å; S240-A622 WeakPolarHBondContact CA-O 3.39Å; S240-A622 WeakPolarHBondContact CB-O 3.3Å
241	D	95.3	Very high	91.3	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	-138.3	170.3	-163.1	-29.1	0	0	0	107.2	H320 I544 S551 T554 A622	D241-H320 HydrophobicContact CB-CB 4.49Å; D241-H320 IonicContact OD2-CD2 2.61Å; D241-H320 IonicContact OD2-NE2 3.77Å; D241-I544 HydrophobicContact CB-CD1 4.32Å; D241-I544 HydrophobicContact CB-CG1 4.04Å; D241-S551 WeakPolarHBondContact OD2-CB 3.44Å; D241-S551 PolarHBondContact OD2-N 3.43Å; D241-S551 VanDerWaalsContact OD2-N 3.09Å; D241-S551 PolarHBondContact OD2-OG 3.2Å; D241-T554 PolarHBondContact OD2-OG1 3.1Å; D241-A622 PolarHBondContact N-O 3.43Å; D241-A622 WeakPolarHBondContact O-CA 3.24Å; D241-A622 WeakPolarHBondContact O-CB 3.34Å; D241-A622 PolarHBondContact O-N 3.01Å
242	Q	96.1	Very high	92.2	Very high	30 Å²	30	30.3 Å²	30.3	14%	0.14	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	133.9	-173.4	-59.9	-84	-21.1	0	0	109.8	E547 T554 W619 S620	Q242-E547 PolarHBondContact NE2-OE1 3.25Å; Q242-T554 HydrophobicContact CB-CG2 4.13Å; Q242-T554 VanDerWaalsContact O-CG2 3.31Å; Q242-T554 WeakPolarHBondContact O-CG2 3.09Å; Q242-W619 HydrophobicContact CB-CD2 4.24Å; Q242-W619 HydrophobicContact CB-CE3 3.17Å; Q242-W619 HydrophobicContact CB-CZ3 3.44Å; Q242-W619 VanDerWaalsContact CB-CZ3 3.44Å; Q242-W619 HydrophobicContact CG-CE3 3.39Å; Q242-W619 HydrophobicContact CG-CZ3 3.67Å; Q242-S620 CarbonylContact C-O 3.59Å; Q242-S620 WeakPolarHBondContact CA-O 3.37Å; Q242-S620 VanDerWaalsContact OE1-C 3.3Å; Q242-S620 PolarHBondContact OE1-O 2.86Å
243	N	97.4	Very high	93.1	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	153.2	165.5	-54.5	-42.3	0	0	0	109.1	F318 F319 H320 G328 W619 S620 A622	N243-F318 WeakPolarHBondContact CA-O 3.24Å; N243-F318 WeakPolarHBondContact CB-O 3.3Å; N243-F319 HydrophobicContact CB-CD1 4.45Å; N243-F319 WeakPolarHBondContact OD1-CA 3.45Å; N243-H320 PolarHBondContact OD1-N 2.79Å; N243-G328 PolarHBondContact ND2-O 3Å; N243-G328 VanDerWaalsContact OD1-CA 3.22Å; N243-G328 WeakPolarHBondContact OD1-CA 3.27Å; N243-W619 WeakPolarHBondContact O-CA 3.25Å; N243-S620 WeakPolarHBondContact CB-OG 3.24Å; N243-S620 PolarHBondContact N-O 3.32Å; N243-S620 PolarHBondContact O-N 3.27Å; N243-A622 WeakPolarHBondContact OD1-CB 3.3Å
244	I	97.6	Very high	93.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137.7	173.9	-55.8	159.9	0	0	0	108	L271 T317 F318 T554 A557 K558 L561 V617	I244-L271 HydrophobicContact CD1-CD2 3.73Å; I244-L271 HydrophobicContact CG1-CD2 4.3Å; I244-T317 CarbonylContact O-C 3.53Å; I244-T317 WeakPolarHBondContact O-CA 3.4Å; I244-F318 HydrophobicContact CB-CB 4.2Å; I244-F318 HydrophobicContact CB-CD2 4.17Å; I244-F318 HydrophobicContact CG2-CD2 4.27Å; I244-F318 PolarHBondContact N-O 3.39Å; I244-F318 PolarHBondContact O-N 3.42Å; I244-T554 HydrophobicContact CD1-CG2 3.88Å; I244-T554 VanDerWaalsContact CD1-O 3.32Å; I244-T554 WeakPolarHBondContact CD1-O 3.21Å; I244-T554 HydrophobicContact CG1-CG2 3.88Å; I244-A557 HydrophobicContact CD1-CB 3.42Å; I244-A557 VanDerWaalsContact CD1-CB 3.42Å; I244-K558 HydrophobicContact CD1-CB 4.28Å; I244-L561 HydrophobicContact CG2-CD2 3.88Å; I244-V617 HydrophobicContact CG2-CG1 3.75Å
245	W	97.4	Very high	93.4	Very high	10 Å²	10	28.4 Å²	28.4	4%	0.038	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	152.6	174.2	61.8	-88.5	0	0	0	111.9	P247 I253 F315 Y316 T317 F341 P342 H618 W619	W245-P247 HydrophobicContact CZ3-CG 4.24Å; W245-I253 HydrophobicContact CH2-CG2 3.69Å; W245-I253 HydrophobicContact CZ3-CG2 4.47Å; W245-F315 HydrophobicContact CB-CE1 3.84Å; W245-F315 HydrophobicContact CB-CZ 4.21Å; W245-F315 HydrophobicContact CD2-CE1 4.25Å; W245-F315 AromaticContact CD2-CZ 3.72Å; W245-F315 HydrophobicContact CD2-CZ 3.72Å; W245-F315 AromaticContact CE3-CE1 3.98Å; W245-F315 HydrophobicContact CE3-CE1 3.98Å; W245-F315 AromaticContact CE3-CE2 3.63Å; W245-F315 HydrophobicContact CE3-CE2 3.63Å; W245-F315 AromaticContact CE3-CZ 3.15Å; W245-F315 HydrophobicContact CE3-CZ 3.15Å; W245-F315 HydrophobicContact CG-CE1 4.24Å; W245-F315 HydrophobicContact CG-CZ 4.19Å; W245-F315 AromaticContact CZ3-CE2 3.84Å; W245-F315 HydrophobicContact CZ3-CE2 3.84Å; W245-F315 AromaticContact CZ3-CZ 3.71Å; W245-F315 HydrophobicContact CZ3-CZ 3.71Å; W245-Y316 CarbonylContact C-O 3.39Å; W245-Y316 WeakPolarHBondContact CA-O 3.46Å; W245-T317 HydrophobicContact CB-CG2 3.98Å; W245-F341 HydrophobicContact CD2-CZ 4.01Å; W245-F341 AromaticContact CE2-CZ 3.9Å; W245-F341 HydrophobicContact CG-CZ 4.1Å; W245-F341 HydrophobicContact CZ2-CZ 4.43Å; W245-F341 AromaticContact NE1-CE2 3.85Å; W245-F341 AromaticContact NE1-CZ 3.96Å; W245-P342 HydrophobicContact CH2-CB 4.39Å; W245-P342 HydrophobicContact CH2-CG 3.81Å; W245-P342 HydrophobicContact CZ2-CG 3.92Å; W245-H618 HydrophobicContact CD2-CB 3.95Å; W245-H618 VanDerWaalsContact CE2-CB 3.41Å; W245-H618 HydrophobicContact CE3-CB 4.36Å; W245-H618 HydrophobicContact CH2-CB 3.86Å; W245-H618 AromaticContact CH2-CD2 3.61Å; W245-H618 AromaticContact CH2-CG 3.89Å; W245-H618 HydrophobicContact CZ2-CB 3.37Å; W245-H618 AromaticContact CZ2-CG 3.86Å; W245-H618 HydrophobicContact CZ3-CB 4.33Å; W245-H618 AromaticContact CZ3-CD2 3.82Å; W245-H618 PolarHBondContact N-O 2.74Å; W245-H618 PolarHBondContact O-N 2.76Å; W245-W619 PolarHBondContact NE1-O 3.18Å
246	A	96.8	Very high	93.3	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	121.9	177.9	0	0	0	0	0	111	Y316 L561 V617	A246-Y316 HydrophobicContact CB-CD2 4.45Å; A246-Y316 PolarHBondContact N-O 2.95Å; A246-Y316 VanDerWaalsContact O-CD2 3.24Å; A246-Y316 WeakPolarHBondContact O-CD2 3.3Å; A246-Y316 PolarHBondContact O-N 2.83Å; A246-L561 HydrophobicContact CB-CD2 3.7Å; A246-L561 HydrophobicContact CB-CG 4.35Å; A246-V617 HydrophobicContact CB-CB 4.47Å; A246-V617 HydrophobicContact CB-CG2 3.93Å
247	P	95.4	Very high	93.2	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	142	169.6	35	-35.3	0	0	0	110	W245 K249 L251 T313 I314 F315 T616	W245-P247 HydrophobicContact CZ3-CG 4.24Å; P247-K249 VanDerWaalsContact C-N 3.26Å; P247-K249 VanDerWaalsContact CB-O 3.25Å; P247-K249 WeakPolarHBondContact CB-O 3.49Å; P247-K249 WeakPolarHBondContact CG-O 3.15Å; P247-K249 PolarHBondContact O-N 3.48Å; P247-L251 HydrophobicContact CB-CD1 3.77Å; P247-L251 HydrophobicContact CB-CG 3.98Å; P247-L251 HydrophobicContact CG-CB 4.36Å; P247-L251 HydrophobicContact CG-CD1 4.1Å; P247-L251 HydrophobicContact CG-CG 4.06Å; P247-T313 HydrophobicContact CB-CG2 3.83Å; P247-I314 CarbonylContact C-O 3.58Å; P247-I314 WeakPolarHBondContact CA-O 3.45Å; P247-F315 HydrophobicContact CB-CD2 3.81Å; P247-F315 HydrophobicContact CB-CE2 4.06Å; P247-T616 WeakPolarHBondContact CD-O 3.06Å; P247-T616 WeakPolarHBondContact O-CB 3.37Å; P247-T616 PolarHBondContact O-OG1 2.87Å
248	S	93.9	Very high	93.2	Very high	31 Å²	31	36.3 Å²	36.3	22%	0.217	19%	0.189	C	C	.	.	S	Bend	trans	-65.8	-31.7	175.6	64.3	0	0	0	0	112.2	I314	S248-I314 PolarHBondContact N-O 3.4Å; S248-I314 PolarHBondContact OG-N 2.63Å; S248-I314 PolarHBondContact OG-O 3.21Å
249	K	90.9	Very high	93	Very high	104 Å²	104	36.5 Å²	36.5	45%	0.452	19%	0.188	S	C	.	.	S	Bend	trans	-105.2	131.4	172.2	-177	-174.1	173.3	-162.7	0	108.4	P247 L251 E262 T313	P247-K249 VanDerWaalsContact C-N 3.26Å; P247-K249 VanDerWaalsContact CB-O 3.25Å; P247-K249 WeakPolarHBondContact CB-O 3.49Å; P247-K249 WeakPolarHBondContact CG-O 3.15Å; P247-K249 PolarHBondContact O-N 3.48Å; K249-L251 PolarHBondContact O-N 2.88Å; K249-E262 IonicContact NZ-OE1 2.66Å; K249-E262 PolarHBondContact NZ-OE1 3.04Å; K249-E262 IonicContact NZ-OE2 2.86Å; K249-T313 HydrophobicContact CB-CG2 4.01Å
250	P	90.6	Very high	92.6	Very high	40 Å²	40	40 Å²	40	26%	0.26	22%	0.217	S	C	.	.			trans	-56.7	130.8	178.1	-21.7	30.9	0	0	0	111.5	L591 Y592 T616	P250-L591 HydrophobicContact CB-CB 4.16Å; P250-L591 HydrophobicContact CB-CD2 4.26Å; P250-Y592 HydrophobicContact CB-CE1 3.99Å; P250-Y592 HydrophobicContact CG-CD1 4.37Å; P250-Y592 HydrophobicContact CG-CE1 3.43Å; P250-Y592 VanDerWaalsContact CG-CE1 3.43Å; P250-Y592 HydrophobicContact CG-CE2 4.48Å; P250-Y592 VanDerWaalsContact CG-CZ 3.5Å; P250-Y592 VanDerWaalsContact CG-OH 3.31Å; P250-Y592 WeakPolarHBondContact CG-OH 3.13Å; P250-T616 HydrophobicContact CB-CG2 4.16Å; P250-T616 HydrophobicContact CG-CG2 4.03Å
251	L	89.8	Confident	92.2	Very high	6 Å²	6	48 Å²	48	3%	0.031	26%	0.259	C	S	.	.			trans	-115.2	145.7	178.6	-65.5	177.4	0	0	0	109.4	P247 K249 I253 K259 F315 I343	P247-L251 HydrophobicContact CB-CD1 3.77Å; P247-L251 HydrophobicContact CB-CG 3.98Å; P247-L251 HydrophobicContact CG-CB 4.36Å; P247-L251 HydrophobicContact CG-CD1 4.1Å; P247-L251 HydrophobicContact CG-CG 4.06Å; K249-L251 PolarHBondContact O-N 2.88Å; L251-I253 WeakPolarHBondContact O-CG2 3.41Å; L251-I253 PolarHBondContact O-N 3.36Å; L251-I253 VanDerWaalsContact O-N 3.07Å; L251-K259 HydrophobicContact CD2-CD 4.39Å; L251-F315 HydrophobicContact CD1-CD2 4.34Å; L251-F315 HydrophobicContact CD1-CE2 4.12Å; L251-I343 HydrophobicContact CD1-CG2 4.07Å
252	N	88.6	Confident	92	Very high	48 Å²	48	49.8 Å²	49.8	26%	0.257	27%	0.267	S	S	.	.			trans	-69.9	106.7	171.9	-174.6	-23.6	0	0	0	109.6	T254 K259 H590	N252-T254 VanDerWaalsContact C-N 3.34Å; N252-T254 WeakPolarHBondContact OD1-CB 3.16Å; N252-T254 PolarHBondContact OD1-N 2.99Å; N252-K259 PolarHBondContact O-NZ 2.91Å; N252-H590 WeakPolarHBondContact CA-O 3.42Å
253	I	87.6	Confident	92	Very high	44 Å²	44	50 Å²	50	23%	0.226	27%	0.273	C	S	.	.	S	Bend	trans	-83.6	-8.7	-175.1	63.7	154.6	0	0	0	113.9	W245 L251 P342 H590	W245-I253 HydrophobicContact CH2-CG2 3.69Å; W245-I253 HydrophobicContact CZ3-CG2 4.47Å; L251-I253 WeakPolarHBondContact O-CG2 3.41Å; L251-I253 PolarHBondContact O-N 3.36Å; L251-I253 VanDerWaalsContact O-N 3.07Å; I253-P342 HydrophobicContact CB-CG 4.43Å; I253-H590 WeakPolarHBondContact CG1-O 2.86Å; I253-H590 PolarHBondContact N-O 3.34Å
254	T	85.2	Confident	92	Very high	87 Å²	87	50 Å²	50	53%	0.534	27%	0.272	S	S	.	.	S	Bend	trans	-85	-21.9	-178.7	-53.6	0	0	0	0	111.9	N252 H590	N252-T254 VanDerWaalsContact C-N 3.34Å; N252-T254 WeakPolarHBondContact OD1-CB 3.16Å; N252-T254 PolarHBondContact OD1-N 2.99Å; T254-H590 PolarHBondContact OG1-ND1 3Å
255	Q	88.4	Confident	92	Very high	131 Å²	131	50 Å²	50	61%	0.612	27%	0.273	S	S	*	.	S	Bend	trans	-100.3	112.4	174.4	-66.4	178.7	-7.4	0	0	109.3	K259	Q255-K259 PolarHBondContact O-NZ 2.95Å
256	N	92.1	Very high	92.1	Very high	83 Å²	83	49.6 Å²	49.6	44%	0.444	27%	0.271	S	S	.	.			trans	-89.5	157	176.9	-65.6	-16.6	0	0	0	112	N339 Q340 F341	N256-N339 VanDerWaalsContact CB-O 3.24Å; N256-N339 WeakPolarHBondContact CB-O 3.31Å; N256-Q340 PolarHBondContact ND2-O 3.37Å; N256-F341 WeakPolarHBondContact CA-O 3.09Å; N256-F341 WeakPolarHBondContact CB-O 3.32Å
257	G	92.4	Very high	92.1	Very high	3 Å²	3	49.6 Å²	49.6	3%	0.031	27%	0.271	C	S	.	.	S	Bend	trans	91.1	-160.3	178.2	0	0	0	0	0	113.7	K259 N339 F341	G257-K259 PolarHBondContact O-N 3.43Å; G257-N339 WeakPolarHBondContact CA-OD1 3.5Å; G257-F341 PolarHBondContact N-O 2.61Å
258	H	93.5	Very high	92.3	Very high	110 Å²	110	49.5 Å²	49.5	51%	0.509	27%	0.27	S	S	.	.			trans	-56.9	129.4	-172.7	-163.7	66.5	0	0	0	113.5	D344	H258-D344 VanDerWaalsContact CA-OD2 3.32Å; H258-D344 WeakPolarHBondContact CA-OD2 3.48Å; H258-D344 WeakPolarHBondContact CB-OD2 3.43Å; H258-D344 IonicContact CG-OD2 3.98Å; H258-D344 IonicContact ND1-OD1 3.76Å; H258-D344 PolarHBondContact ND1-OD1 3.15Å; H258-D344 VanDerWaalsContact ND1-OD1 3.16Å; H258-D344 IonicContact ND1-OD2 2.81Å; H258-D344 PolarHBondContact ND1-OD2 3.44Å
259	K	92.1	Very high	92.5	Very high	28 Å²	28	48 Å²	48	12%	0.122	26%	0.26	C	S	.	.			trans	-105.7	114	168.9	-67.4	-170.7	-172.4	-57.5	0	110.6	L251 N252 Q255 G257 E262 P342 I343 N347	L251-K259 HydrophobicContact CD2-CD 4.39Å; N252-K259 PolarHBondContact O-NZ 2.91Å; Q255-K259 PolarHBondContact O-NZ 2.95Å; G257-K259 PolarHBondContact O-N 3.43Å; K259-E262 HydrophobicContact CB-CB 3.82Å; K259-E262 HydrophobicContact CB-CG 4Å; K259-E262 HydrophobicContact CD-CG 4.43Å; K259-E262 PolarHBondContact O-N 3.27Å; K259-P342 WeakPolarHBondContact CE-O 3.13Å; K259-I343 HydrophobicContact CD-CG2 4.38Å; K259-N347 PolarHBondContact N-OD1 2.63Å; K259-N347 PolarHBondContact O-ND2 3.44Å
260	A	87.8	Confident	92.8	Very high	74 Å²	74	44.9 Å²	44.9	61%	0.612	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	141.1	173.2	0	0	0	0	0	110.3	E262	A260-E262 PolarHBondContact O-N 3.26Å; A260-E262 VanDerWaalsContact O-N 3.16Å
261	D	86.6	Confident	93.1	Very high	172 Å²	172	43 Å²	43	92%	0.92	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	12.9	179.6	-50.2	-46.7	0	0	0	115.8
262	E	92.4	Very high	93.5	Very high	42 Å²	42	42.7 Å²	42.7	20%	0.196	23%	0.231	C	C	.	.			trans	-109.5	127	174	-71.3	-67.3	160.7	0	0	111.1	K249 K259 A260 T313 N347	K249-E262 IonicContact NZ-OE1 2.66Å; K249-E262 PolarHBondContact NZ-OE1 3.04Å; K249-E262 IonicContact NZ-OE2 2.86Å; K259-E262 HydrophobicContact CB-CB 3.82Å; K259-E262 HydrophobicContact CB-CG 4Å; K259-E262 HydrophobicContact CD-CG 4.43Å; K259-E262 PolarHBondContact O-N 3.27Å; A260-E262 PolarHBondContact O-N 3.26Å; A260-E262 VanDerWaalsContact O-N 3.16Å; E262-T313 PolarHBondContact OE2-OG1 3.21Å; E262-N347 PolarHBondContact O-ND2 3.43Å
263	S	95.9	Very high	93.8	Very high	36 Å²	36	40.4 Å²	40.4	25%	0.252	22%	0.219	S	C	.	.			trans	-124.7	127.4	176.4	175.2	0	0	0	0	108.3	R312 T313 N347 H349	S263-R312 CarbonylContact O-C 3.51Å; S263-R312 VanDerWaalsContact O-CA 3.3Å; S263-R312 WeakPolarHBondContact O-CA 3.47Å; S263-R312 WeakPolarHBondContact O-CB 3.21Å; S263-T313 PolarHBondContact O-N 3.48Å; S263-N347 CarbonylContact C-O 3.6Å; S263-N347 WeakPolarHBondContact CA-O 3.49Å; S263-H349 WeakPolarHBondContact OG-CB 3.06Å
264	V	96.9	Very high	94.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	145.2	-174.4	-50.8	0	0	0	0	113.2	I266 T313 F315 I343 N347 V348 H349	V264-I266 HydrophobicContact CG2-CD1 4.1Å; V264-I266 HydrophobicContact CG2-CG1 4.43Å; V264-T313 CarbonylContact C-O 3.58Å; V264-T313 VanDerWaalsContact CA-O 3.27Å; V264-T313 WeakPolarHBondContact CA-O 3.4Å; V264-F315 HydrophobicContact CB-CB 4.39Å; V264-I343 HydrophobicContact CB-CD1 4.48Å; V264-I343 HydrophobicContact CG1-CD1 4.25Å; V264-I343 HydrophobicContact CG2-CD1 3.71Å; V264-N347 PolarHBondContact N-O 2.88Å; V264-V348 HydrophobicContact CG2-CB 4.28Å; V264-V348 HydrophobicContact CG2-CG2 3.81Å; V264-H349 WeakPolarHBondContact O-CB 3.22Å; V264-H349 PolarHBondContact O-N 3.26Å
265	I	98.2	Very high	94.6	Very high	1 Å²	1	35 Å²	35	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	111.2	168	-57.7	158.8	0	0	0	106.7	V267 R312 T313 F315 S350 L486 Q489 A490	I265-V267 HydrophobicContact CG2-CG2 4.13Å; I265-V267 PolarHBondContact O-N 2.93Å; I265-R312 HydrophobicContact CD1-CB 4.06Å; I265-R312 HydrophobicContact CG1-CB 4.26Å; I265-T313 PolarHBondContact N-O 3.39Å; I265-F315 PolarHBondContact O-N 2.91Å; I265-S350 WeakPolarHBondContact CA-O 3.49Å; I265-L486 HydrophobicContact CG2-CD2 4.11Å; I265-Q489 HydrophobicContact CD1-CB 3.86Å; I265-Q489 HydrophobicContact CD1-CG 3.59Å; I265-Q489 HydrophobicContact CG1-CG 4.16Å; I265-A490 HydrophobicContact CD1-CB 4.04Å
266	I	98.4	Very high	95	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	124.1	175.3	-58.7	-68.5	0	0	0	107.6	V264 F315 T317 M336 I343 V348 S350 V351 L352 F418	V264-I266 HydrophobicContact CG2-CD1 4.1Å; V264-I266 HydrophobicContact CG2-CG1 4.43Å; I266-F315 HydrophobicContact CD1-CB 4.04Å; I266-F315 HydrophobicContact CD1-CD1 3.66Å; I266-F315 HydrophobicContact CD1-CE1 4.46Å; I266-F315 HydrophobicContact CD1-CG 4.06Å; I266-T317 HydrophobicContact CG2-CG2 4.46Å; I266-M336 HydrophobicContact CD1-CE 4.31Å; I266-I343 HydrophobicContact CD1-CD1 4.21Å; I266-V348 HydrophobicContact CD1-CG2 4.16Å; I266-V348 HydrophobicContact CG1-CB 4.47Å; I266-V348 HydrophobicContact CG1-CG1 3.78Å; I266-V348 HydrophobicContact CG1-CG2 3.87Å; I266-S350 PolarHBondContact N-O 3.26Å; I266-V351 HydrophobicContact CB-CG1 4.35Å; I266-V351 HydrophobicContact CB-CG2 4.29Å; I266-V351 HydrophobicContact CG2-CG1 4.34Å; I266-V351 CarbonylContact O-C 3.59Å; I266-V351 WeakPolarHBondContact O-CA 3.31Å; I266-L352 PolarHBondContact O-N 2.76Å; I266-F418 HydrophobicContact CG1-CE1 4.4Å; I266-F418 HydrophobicContact CG2-CZ 4.09Å
267	V	98.5	Very high	95.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121.8	172.4	-166.4	0	0	0	0	108	I265 L294 I314 F315 Y316 T317 L352 I354 L486	I265-V267 HydrophobicContact CG2-CG2 4.13Å; I265-V267 PolarHBondContact O-N 2.93Å; V267-L294 HydrophobicContact CB-CD1 4.13Å; V267-L294 HydrophobicContact CG1-CD1 3.41Å; V267-L294 VanDerWaalsContact CG1-CD1 3.41Å; V267-L294 HydrophobicContact CG1-CD2 4.38Å; V267-I314 HydrophobicContact CG2-CG2 3.81Å; V267-F315 PolarHBondContact N-O 3.12Å; V267-Y316 CarbonylContact O-C 3.56Å; V267-T317 PolarHBondContact O-N 3.47Å; V267-T317 PolarHBondContact O-OG1 2.7Å; V267-L352 CarbonylContact C-O 3.56Å; V267-L352 VanDerWaalsContact CA-O 3.23Å; V267-L352 WeakPolarHBondContact CA-O 3.09Å; V267-L352 HydrophobicContact CG1-CB 4.34Å; V267-L352 HydrophobicContact CG1-CD2 4.32Å; V267-I354 HydrophobicContact CG1-CD1 4.35Å; V267-L486 HydrophobicContact CB-CD1 4.41Å; V267-L486 HydrophobicContact CG1-CD1 4.01Å; V267-L486 HydrophobicContact CG1-CD2 4.42Å; V267-L486 HydrophobicContact CG2-CD1 3.75Å; V267-L486 HydrophobicContact CG2-CD2 3.31Å; V267-L486 HydrophobicContact CG2-CG 4.16Å
268	S	98.4	Very high	94.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	148.4	-169.1	56.3	0	0	0	0	113.1	T317 L352 E353 I354 S414	S268-T317 VanDerWaalsContact CA-O 3.26Å; S268-T317 WeakPolarHBondContact CA-O 3.35Å; S268-T317 WeakPolarHBondContact CA-OG1 3.48Å; S268-T317 WeakPolarHBondContact CB-OG1 3.29Å; S268-L352 PolarHBondContact N-O 3.47Å; S268-L352 PolarHBondContact OG-O 2.98Å; S268-E353 WeakPolarHBondContact O-CA 3.44Å; S268-E353 WeakPolarHBondContact OG-CB 3.44Å; S268-E353 WeakPolarHBondContact OG-CG 3.16Å; S268-I354 PolarHBondContact O-N 3.25Å; S268-S414 PolarHBondContact OG-OG 3.29Å
269	A	98.5	Very high	94.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	153.5	166.3	0	0	0	0	0	109.4	L294 T317 F318 F319	A269-L294 HydrophobicContact CB-CB 4.08Å; A269-L294 HydrophobicContact CB-CD2 3.72Å; A269-T317 PolarHBondContact N-O 3.22Å; A269-T317 VanDerWaalsContact N-O 3.12Å; A269-F318 HydrophobicContact CB-CD1 4.15Å; A269-F318 HydrophobicContact CB-CE1 4.33Å; A269-F318 WeakPolarHBondContact O-CA 3.38Å; A269-F319 PolarHBondContact O-N 3.07Å; A269-F319 VanDerWaalsContact O-N 3.15Å
270	R	97.8	Very high	94	Very high	37 Å²	37	26.7 Å²	26.7	14%	0.14	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	138.1	176.5	176.6	168.4	60.2	171.9	-8.3	111.7	D272 S286 E322	R270-D272 VanDerWaalsContact CD-O 3.28Å; R270-D272 WeakPolarHBondContact CD-O 3.41Å; R270-D272 WeakPolarHBondContact CD-OD1 3.45Å; R270-D272 WeakPolarHBondContact CG-O 3.42Å; R270-D272 VanDerWaalsContact CG-OD1 3.23Å; R270-D272 WeakPolarHBondContact CG-OD1 3.1Å; R270-S286 PolarHBondContact NE-O 3.15Å; R270-S286 VanDerWaalsContact NH2-C 3.33Å; R270-S286 VanDerWaalsContact NH2-CB 3.35Å; R270-S286 PolarHBondContact NH2-O 3.02Å; R270-E322 VanDerWaalsContact CA-OE1 3.27Å; R270-E322 WeakPolarHBondContact CA-OE1 3.43Å; R270-E322 HydrophobicContact CG-CB 4.1Å; R270-E322 WeakPolarHBondContact CG-OE1 3.29Å
271	L	96.8	Very high	94.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.119	C	C	.	.			trans	-109.5	0.9	179.4	-170.7	56.6	0	0	0	113	I244 L291 F318 F319 H320 F542 P553 T554 A557	I244-L271 HydrophobicContact CD1-CD2 3.73Å; I244-L271 HydrophobicContact CG1-CD2 4.3Å; L271-L291 HydrophobicContact CD1-CD1 3.87Å; L271-L291 HydrophobicContact CD1-CD2 3.68Å; L271-L291 HydrophobicContact CD1-CG 4.42Å; L271-F318 HydrophobicContact CB-CB 4.36Å; L271-F318 HydrophobicContact CD2-CB 4.21Å; L271-F319 WeakPolarHBondContact CA-O 3.15Å; L271-F319 WeakPolarHBondContact CB-O 3.16Å; L271-F319 PolarHBondContact N-O 3.14Å; L271-H320 HydrophobicContact CB-CB 4.47Å; L271-H320 HydrophobicContact CD2-CB 4.42Å; L271-F542 WeakPolarHBondContact O-CD1 3.05Å; L271-P553 HydrophobicContact CD1-CB 4.37Å; L271-T554 HydrophobicContact CD2-CG2 4.12Å; L271-A557 HydrophobicContact CD1-CB 3.77Å
272	D	96.8	Very high	94.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.077	C	C	.	.			trans	-128.6	154.1	-176.3	76.3	-53.9	0	0	0	114.4	R270 G321 E322 T323 F542	R270-D272 VanDerWaalsContact CD-O 3.28Å; R270-D272 WeakPolarHBondContact CD-O 3.41Å; R270-D272 WeakPolarHBondContact CD-OD1 3.45Å; R270-D272 WeakPolarHBondContact CG-O 3.42Å; R270-D272 VanDerWaalsContact CG-OD1 3.23Å; R270-D272 WeakPolarHBondContact CG-OD1 3.1Å; D272-G321 VanDerWaalsContact CG-CA 3.47Å; D272-G321 PolarHBondContact OD1-N 2.86Å; D272-G321 WeakPolarHBondContact OD2-CA 3.37Å; D272-G321 PolarHBondContact OD2-N 2.89Å; D272-E322 VanDerWaalsContact CG-N 3.26Å; D272-E322 PolarHBondContact OD1-N 3.33Å; D272-E322 PolarHBondContact OD2-N 3.28Å; D272-T323 WeakPolarHBondContact OD2-CB 3.46Å; D272-T323 VanDerWaalsContact OD2-CG2 3.22Å; D272-T323 WeakPolarHBondContact OD2-CG2 3.41Å; D272-T323 PolarHBondContact OD2-N 2.94Å; D272-F542 CarbonylContact C-O 3.39Å; D272-F542 VanDerWaalsContact CA-O 3.25Å; D272-F542 WeakPolarHBondContact CA-O 3.35Å; D272-F542 WeakPolarHBondContact CB-O 3.5Å
273	S	96	Very high	94.6	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.007	7%	0.068	C	C	.	.	B	Isolated β-bridge	trans	-140.7	-178.5	168.6	92.6	0	0	0	0	110.2	G281 G283 Q442 F542 Y543	S273-G281 PolarHBondContact OG-O 2.89Å; S273-G283 VanDerWaalsContact OG-CA 3.29Å; S273-G283 WeakPolarHBondContact OG-CA 3.49Å; S273-G283 PolarHBondContact OG-N 2.82Å; S273-Q442 VanDerWaalsContact CA-NE2 3.31Å; S273-F542 PolarHBondContact N-O 3.49Å; S273-F542 CarbonylContact O-C 3.55Å; S273-F542 VanDerWaalsContact O-O 3.14Å; S273-Y543 VanDerWaalsContact O-CA 3.31Å; S273-Y543 WeakPolarHBondContact O-CA 3.17Å
274	R	94.8	Very high	94.6	Very high	12 Å²	12	11.7 Å²	11.7	5%	0.045	6%	0.056	C	C	.	.			trans	-153.1	170.2	171.2	65.8	174.7	-70.1	179.6	2.2	110.4	T323 F324 Q442 S443 Y543	R274-T323 HydrophobicContact CB-CG2 3.95Å; R274-T323 HydrophobicContact CG-CG2 3.79Å; R274-F324 HydrophobicContact CB-CE2 4.29Å; R274-F324 HydrophobicContact CB-CZ 4.29Å; R274-Q442 HydrophobicContact CG-CB 3.86Å; R274-Q442 HydrophobicContact CG-CG 4.25Å; R274-Q442 CarbonylContact O-C 3.54Å; R274-Q442 WeakPolarHBondContact O-CA 3.42Å; R274-Q442 WeakPolarHBondContact O-CB 3.32Å; R274-S443 PolarHBondContact O-N 2.88Å; R274-Y543 HydrophobicContact CB-CD2 4.25Å
275	S	95.3	Very high	94.6	Very high	6 Å²	6	11.7 Å²	11.7	4%	0.042	6%	0.056	C	C	.	.			trans	-133.6	-160.9	160.1	83.3	0	0	0	0	111.4	F277 I280 Q442	S275-F277 VanDerWaalsContact C-N 3.33Å; S275-F277 PolarHBondContact OG-N 3.22Å; S275-F277 PolarHBondContact OG-O 3.49Å; S275-I280 WeakPolarHBondContact CB-O 3.47Å; S275-I280 PolarHBondContact OG-O 2.95Å; S275-Q442 WeakPolarHBondContact CA-O 3.31Å
276	F	96.1	Very high	94.4	Very high	15 Å²	15	11.8 Å²	11.8	7%	0.066	6%	0.056	C	C	.	.	S	Bend	trans	-71.9	-28.3	168.1	-172.3	-92.6	0	0	0	112.3	C40 F93 P126 L161 F166 I170	C40-F276 HydrophobicContact CB-CD1 4.26Å; C40-F276 HydrophobicContact CB-CE1 3.69Å; C40-F276 HydrophobicContact CB-CZ 4.31Å; F93-F276 HydrophobicContact CE1-CD1 4.3Å; F93-F276 HydrophobicContact CE1-CG 4.27Å; F93-F276 HydrophobicContact CE2-CE1 4.41Å; F93-F276 AromaticContact CZ-CD1 3.69Å; F93-F276 HydrophobicContact CZ-CD1 3.69Å; F93-F276 HydrophobicContact CZ-CD2 4.17Å; F93-F276 AromaticContact CZ-CE1 3.78Å; F93-F276 HydrophobicContact CZ-CE1 3.78Å; F93-F276 HydrophobicContact CZ-CE2 4.27Å; F93-F276 AromaticContact CZ-CG 3.89Å; F93-F276 HydrophobicContact CZ-CG 3.89Å; F93-F276 HydrophobicContact CZ-CZ 4.08Å; P126-F276 HydrophobicContact CB-CB 4.33Å; P126-F276 HydrophobicContact CG-CB 4.3Å; L161-F276 HydrophobicContact CD2-CD2 4.42Å; L161-F276 HydrophobicContact CD2-CE2 4.37Å; L161-F276 HydrophobicContact CG-CD2 4.15Å; L161-F276 HydrophobicContact CG-CE2 3.87Å; F166-F276 HydrophobicContact CD2-CZ 4.29Å; F166-F276 HydrophobicContact CE2-CE2 4.06Å; F166-F276 AromaticContact CE2-CZ 4Å; F166-F276 HydrophobicContact CE2-CZ 4Å; I170-F276 HydrophobicContact CB-CE1 4.06Å; I170-F276 HydrophobicContact CD1-CE1 4.15Å; I170-F276 HydrophobicContact CD1-CZ 3.81Å; I170-F276 HydrophobicContact CG2-CE1 3.82Å
277	F	94.6	Very high	94.4	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.009	6%	0.057	C	C	.	.	S	Bend	trans	-108.1	132	-177.7	-58.3	-74.7	0	0	0	109.8	V38 C40 F93 V113 I170 S172 S275 E279 I280 M444	V38-F277 HydrophobicContact CB-CB 4.48Å; V38-F277 HydrophobicContact CG1-CB 3.85Å; V38-F277 WeakPolarHBondContact O-CD1 2.97Å; C40-F277 HydrophobicContact CB-CD1 4.48Å; F93-F277 HydrophobicContact CE1-CE2 4.46Å; F93-F277 HydrophobicContact CZ-CZ 4.48Å; V113-F277 HydrophobicContact CB-CZ 4.23Å; V113-F277 HydrophobicContact CG2-CZ 4.24Å; I170-F277 HydrophobicContact CG2-CE1 4.1Å; I170-F277 HydrophobicContact CG2-CZ 4.34Å; S172-F277 VanDerWaalsContact N-CE1 3.27Å; S275-F277 VanDerWaalsContact C-N 3.33Å; S275-F277 PolarHBondContact OG-N 3.22Å; S275-F277 PolarHBondContact OG-O 3.49Å; F277-E279 PolarHBondContact O-N 2.86Å; F277-I280 HydrophobicContact CB-CD1 4.44Å; F277-I280 PolarHBondContact O-N 3.33Å; F277-M444 HydrophobicContact CD2-SD 3.87Å; F277-M444 HydrophobicContact CE2-SD 3.83Å
278	S	83.8	Confident	94.3	Very high	9 Å²	9	11.9 Å²	11.9	6%	0.063	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-37.5	-167.4	52.2	0	0	0	0	114.2	P39 V41 N541	P39-S278 PolarHBondContact O-N 2.91Å; V41-S278 WeakPolarHBondContact CG1-OG 3.49Å; S278-N541 PolarHBondContact O-ND2 2.74Å; S278-N541 VanDerWaalsContact O-ND2 3.12Å
279	E	83.1	Confident	94.2	Very high	122 Å²	122	11.9 Å²	11.9	57%	0.57	6%	0.057	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	7.8	-175.3	-51.4	-173.2	172.5	0	0	113.8	V38 F277 N541	V38-E279 HydrophobicContact CG1-CB 3.7Å; V38-E279 HydrophobicContact CG1-CG 4.23Å; F277-E279 PolarHBondContact O-N 2.86Å; E279-N541 WeakPolarHBondContact CA-ND2 3.31Å
280	I	87.4	Confident	94.2	Very high	32 Å²	32	12 Å²	12	16%	0.164	6%	0.058	C	C	.	.			trans	-127.6	82.5	178.7	-55.4	166.3	0	0	0	109.4	V38 S275 F277 M444	V38-I280 HydrophobicContact CB-CD1 3.81Å; V38-I280 HydrophobicContact CB-CG1 4.23Å; V38-I280 HydrophobicContact CG1-CD1 4.13Å; V38-I280 HydrophobicContact CG1-CG1 4.09Å; V38-I280 HydrophobicContact CG2-CD1 3.67Å; V38-I280 HydrophobicContact CG2-CG1 3.91Å; S275-I280 WeakPolarHBondContact CB-O 3.47Å; S275-I280 PolarHBondContact OG-O 2.95Å; F277-I280 HydrophobicContact CB-CD1 4.44Å; F277-I280 PolarHBondContact O-N 3.33Å; I280-M444 HydrophobicContact CB-CB 4.47Å; I280-M444 HydrophobicContact CG2-CB 3.58Å
281	G	90.4	Very high	94.2	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.01	5%	0.051	C	C	.	.			trans	-125.6	69.6	174.5	0	0	0	0	0	111.7	S273 G283 N541 F542	S273-G281 PolarHBondContact OG-O 2.89Å; G281-G283 PolarHBondContact O-N 2.82Å; G281-N541 WeakPolarHBondContact CA-OD1 3.28Å; G281-N541 PolarHBondContact N-OD1 2.85Å; G281-F542 WeakPolarHBondContact O-CB 3.43Å; G281-F542 PolarHBondContact O-N 3.27Å
282	P	92.7	Very high	94.3	Very high	7 Å²	7	10.2 Å²	10.2	5%	0.045	5%	0.051	C	C	.	.			trans	-66.5	-33.6	-171.5	24.6	-33.6	0	0	0	113.9	A284 M444 D446 N447 T539 F542	P282-A284 VanDerWaalsContact C-N 3.28Å; P282-A284 PolarHBondContact O-N 3.15Å; P282-A284 VanDerWaalsContact O-N 3.12Å; P282-M444 WeakPolarHBondContact CG-O 3.38Å; P282-D446 CarbonylContact C-O 3.53Å; P282-D446 VanDerWaalsContact CB-O 3.28Å; P282-D446 WeakPolarHBondContact CB-O 3.38Å; P282-D446 VanDerWaalsContact CG-O 3.24Å; P282-D446 WeakPolarHBondContact CG-O 3.47Å; P282-N447 HydrophobicContact CB-CB 4.26Å; P282-N447 HydrophobicContact CG-CB 4.28Å; P282-T539 HydrophobicContact CB-CG2 3.77Å; P282-F542 WeakPolarHBondContact O-CD2 3.23Å; P282-F542 WeakPolarHBondContact O-CE2 3.37Å
283	G	95.7	Very high	94.4	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.051	C	C	.	.			trans	53.6	35.8	168.7	0	0	0	0	0	116.2	S273 G281 E285 S286 A287 A288 D446	S273-G283 VanDerWaalsContact OG-CA 3.29Å; S273-G283 WeakPolarHBondContact OG-CA 3.49Å; S273-G283 PolarHBondContact OG-N 2.82Å; G281-G283 PolarHBondContact O-N 2.82Å; G283-E285 PolarHBondContact O-N 3.07Å; G283-S286 WeakPolarHBondContact CA-OG 3.48Å; G283-A287 PolarHBondContact O-N 2.61Å; G283-A288 PolarHBondContact O-N 3.02Å; G283-D446 PolarHBondContact N-O 3.36Å; G283-D446 VanDerWaalsContact N-O 3.14Å
284	A	96.6	Very high	94.5	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.051	C	C	.	.	I	π-helix	trans	-57.4	-53	-172.9	0	0	0	0	0	112	P282 A288 S289 D446 N447 L451 L515	P282-A284 VanDerWaalsContact C-N 3.28Å; P282-A284 PolarHBondContact O-N 3.15Å; P282-A284 VanDerWaalsContact O-N 3.12Å; A284-A288 WeakPolarHBondContact O-CB 3.27Å; A284-A288 PolarHBondContact O-N 3.19Å; A284-S289 PolarHBondContact O-N 2.75Å; A284-D446 VanDerWaalsContact CB-O 3.26Å; A284-D446 WeakPolarHBondContact CB-O 3.47Å; A284-D446 PolarHBondContact N-O 3.06Å; A284-N447 VanDerWaalsContact CB-O 3.25Å; A284-N447 WeakPolarHBondContact CB-O 3.37Å; A284-L451 HydrophobicContact CB-CD1 3.97Å; A284-L451 HydrophobicContact CB-CG 4.21Å; A284-L451 WeakPolarHBondContact O-CD1 3.36Å; A284-L515 HydrophobicContact CB-CD1 4.07Å; A284-L515 HydrophobicContact CB-CD2 3.78Å
285	E	96.2	Very high	94.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.049	C	C	.	.	I	π-helix	trans	-88.7	-37.8	176.5	179.3	56	-172.8	0	0	113	G283 A287 S289 Q356 V357 G358 F359 N438 D446 L451	G283-E285 PolarHBondContact O-N 3.07Å; E285-A287 PolarHBondContact O-N 3.43Å; E285-S289 VanDerWaalsContact CD-OG 3.29Å; E285-S289 PolarHBondContact O-OG 3.09Å; E285-S289 WeakPolarHBondContact OE2-CB 3.33Å; E285-S289 PolarHBondContact OE2-OG 3.39Å; E285-Q356 HydrophobicContact CG-CB 4.1Å; E285-Q356 HydrophobicContact CG-CG 4.12Å; E285-Q356 VanDerWaalsContact OE1-CA 3.23Å; E285-Q356 WeakPolarHBondContact OE1-CA 3.02Å; E285-Q356 WeakPolarHBondContact OE1-CB 3.39Å; E285-V357 PolarHBondContact OE1-N 3.28Å; E285-G358 PolarHBondContact OE1-N 3.43Å; E285-G358 WeakPolarHBondContact OE2-CA 3.33Å; E285-G358 PolarHBondContact OE2-N 3.19Å; E285-F359 HydrophobicContact CB-CE2 4.03Å; E285-F359 HydrophobicContact CG-CD2 3.87Å; E285-F359 HydrophobicContact CG-CE2 3.68Å; E285-N438 HydrophobicContact CB-CB 4.4Å; E285-N438 HydrophobicContact CG-CB 3.97Å; E285-D446 PolarHBondContact N-OD1 3.19Å; E285-L451 HydrophobicContact CB-CD1 4.49Å; E285-L451 HydrophobicContact CB-CD2 3.93Å; E285-L451 HydrophobicContact CB-CG 4.31Å; E285-L451 HydrophobicContact CG-CD2 4.37Å; E285-L451 WeakPolarHBondContact OE2-CD2 3.38Å
286	S	95.6	Very high	94.9	Very high	3 Å²	3	9.4 Å²	9.4	2%	0.021	5%	0.048	C	C	.	.	I	π-helix	trans	-63.9	-37	-177.5	48	0	0	0	0	113.6	R270 G283 Q442 D446	R270-S286 PolarHBondContact NE-O 3.15Å; R270-S286 VanDerWaalsContact NH2-C 3.33Å; R270-S286 VanDerWaalsContact NH2-CB 3.35Å; R270-S286 PolarHBondContact NH2-O 3.02Å; G283-S286 WeakPolarHBondContact CA-OG 3.48Å; S286-Q442 PolarHBondContact OG-OE1 3.4Å; S286-D446 VanDerWaalsContact CB-OD2 3.31Å; S286-D446 WeakPolarHBondContact CB-OD2 3.42Å; S286-D446 PolarHBondContact N-OD2 3.05Å; S286-D446 PolarHBondContact OG-OD2 2.68Å
287	A	96.7	Very high	95	Very high	2 Å²	2	8.7 Å²	8.7	2%	0.017	5%	0.045	C	C	.	.	I	π-helix	trans	-121	-54.2	-177.4	0	0	0	0	0	112.4	G283 E285 S289 G290 L291 F542	G283-A287 PolarHBondContact O-N 2.61Å; E285-A287 PolarHBondContact O-N 3.43Å; A287-S289 PolarHBondContact O-N 3.35Å; A287-G290 PolarHBondContact O-N 3Å; A287-L291 VanDerWaalsContact O-CB 3.25Å; A287-L291 WeakPolarHBondContact O-CB 3.4Å; A287-L291 PolarHBondContact O-N 3.22Å; A287-F542 HydrophobicContact CB-CD1 4.01Å; A287-F542 HydrophobicContact CB-CE1 4.33Å; A287-F542 HydrophobicContact CB-CG 4.26Å
288	A	97.4	Very high	95.1	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.045	C	C	.	.	I	π-helix	trans	-65.1	-39.3	-166.1	0	0	0	0	0	113.1	G283 A284 L291 I292 L515 F542	G283-A288 PolarHBondContact O-N 3.02Å; A284-A288 WeakPolarHBondContact O-CB 3.27Å; A284-A288 PolarHBondContact O-N 3.19Å; A288-L291 PolarHBondContact O-N 3.18Å; A288-I292 HydrophobicContact CB-CD1 4.19Å; A288-I292 WeakPolarHBondContact O-CB 3.29Å; A288-I292 WeakPolarHBondContact O-CD1 3.13Å; A288-I292 WeakPolarHBondContact O-CG1 3.25Å; A288-I292 PolarHBondContact O-N 3.5Å; A288-L515 HydrophobicContact CB-CD2 3.87Å; A288-F542 HydrophobicContact CB-CE2 4.26Å; A288-F542 HydrophobicContact CB-CZ 3.9Å
289	S	97.1	Very high	95.8	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62	-47.3	-178.6	67.8	0	0	0	0	113.1	A284 E285 A287 T293 V357	A284-S289 PolarHBondContact O-N 2.75Å; E285-S289 VanDerWaalsContact CD-OG 3.29Å; E285-S289 PolarHBondContact O-OG 3.09Å; E285-S289 WeakPolarHBondContact OE2-CB 3.33Å; E285-S289 PolarHBondContact OE2-OG 3.39Å; A287-S289 PolarHBondContact O-N 3.35Å; S289-T293 WeakPolarHBondContact O-CB 3.38Å; S289-T293 PolarHBondContact O-N 2.96Å; S289-T293 VanDerWaalsContact O-N 3.08Å; S289-T293 PolarHBondContact O-OG1 2.89Å; S289-V357 PolarHBondContact OG-N 3.3Å
290	G	97.6	Very high	96.4	Very high	2 Å²	2	5.9 Å²	5.9	2%	0.021	3%	0.034	C	C	.	.	H	α-helix	trans	-66.5	-45.9	175.5	0	0	0	0	0	113	A287 I292 T293 L294 G355	A287-G290 PolarHBondContact O-N 3Å; G290-I292 PolarHBondContact O-N 3.06Å; G290-T293 PolarHBondContact O-N 2.89Å; G290-L294 PolarHBondContact O-N 3.46Å; G290-G355 VanDerWaalsContact CA-O 3.22Å; G290-G355 WeakPolarHBondContact CA-O 3.03Å
291	L	98.3	Very high	96.8	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-54.3	-52.6	175.9	168.2	62.7	0	0	0	111.9	L271 A287 A288 T293 L294 L295 F318 F514 F542 A557	L271-L291 HydrophobicContact CD1-CD1 3.87Å; L271-L291 HydrophobicContact CD1-CD2 3.68Å; L271-L291 HydrophobicContact CD1-CG 4.42Å; A287-L291 VanDerWaalsContact O-CB 3.25Å; A287-L291 WeakPolarHBondContact O-CB 3.4Å; A287-L291 PolarHBondContact O-N 3.22Å; A288-L291 PolarHBondContact O-N 3.18Å; L291-T293 VanDerWaalsContact C-N 3.34Å; L291-T293 PolarHBondContact O-N 3.01Å; L291-L294 PolarHBondContact O-N 3Å; L291-L295 HydrophobicContact CD1-CD1 3.98Å; L291-L295 HydrophobicContact CD1-CG 4.29Å; L291-L295 HydrophobicContact CG-CD1 4.14Å; L291-L295 WeakPolarHBondContact O-CG 3.21Å; L291-L295 PolarHBondContact O-N 3.1Å; L291-F318 HydrophobicContact CD1-CD1 3.23Å; L291-F318 HydrophobicContact CD1-CE1 3.41Å; L291-F318 VanDerWaalsContact CD1-CE1 3.41Å; L291-F318 HydrophobicContact CD1-CG 4.14Å; L291-F318 HydrophobicContact CD1-CZ 4.45Å; L291-F514 HydrophobicContact CD2-CE1 3.97Å; L291-F514 HydrophobicContact CD2-CE2 4.21Å; L291-F514 HydrophobicContact CD2-CZ 3.81Å; L291-F542 HydrophobicContact CD2-CE1 3.82Å; L291-F542 HydrophobicContact CD2-CZ 4.42Å; L291-A557 HydrophobicContact CD1-CB 4.11Å
292	I	98.4	Very high	96.9	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-65.9	-39.3	-177.6	-69.8	169.4	0	0	0	110.7	A288 G290 L294 L295 A296 V507 M510 L511 F514	A288-I292 HydrophobicContact CB-CD1 4.19Å; A288-I292 WeakPolarHBondContact O-CB 3.29Å; A288-I292 WeakPolarHBondContact O-CD1 3.13Å; A288-I292 WeakPolarHBondContact O-CG1 3.25Å; A288-I292 PolarHBondContact O-N 3.5Å; G290-I292 PolarHBondContact O-N 3.06Å; I292-L294 VanDerWaalsContact C-N 3.33Å; I292-L294 PolarHBondContact O-N 3.16Å; I292-L295 PolarHBondContact O-N 3.25Å; I292-A296 VanDerWaalsContact O-CB 3.26Å; I292-A296 WeakPolarHBondContact O-CB 3.42Å; I292-A296 PolarHBondContact O-N 3.12Å; I292-V507 HydrophobicContact CG2-CG1 3.96Å; I292-M510 HydrophobicContact CD1-CB 4.36Å; I292-M510 HydrophobicContact CG1-CB 4.13Å; I292-M510 HydrophobicContact CG2-CB 4.01Å; I292-M510 HydrophobicContact CG2-CE 4Å; I292-L511 HydrophobicContact CD1-CB 4.4Å; I292-L511 HydrophobicContact CD1-CD2 3.54Å; I292-L511 HydrophobicContact CD1-CG 3.86Å; I292-F514 HydrophobicContact CD1-CD2 4.02Å; I292-F514 HydrophobicContact CG1-CD2 4.03Å; I292-F514 HydrophobicContact CG1-CE2 4.35Å
293	T	98.4	Very high	96.7	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.4	-43.6	176.3	-60.8	0	0	0	0	111.3	S289 G290 L291 A296 A297 I354 V357 V478 A479	S289-T293 WeakPolarHBondContact O-CB 3.38Å; S289-T293 PolarHBondContact O-N 2.96Å; S289-T293 VanDerWaalsContact O-N 3.08Å; S289-T293 PolarHBondContact O-OG1 2.89Å; G290-T293 PolarHBondContact O-N 2.89Å; L291-T293 VanDerWaalsContact C-N 3.34Å; L291-T293 PolarHBondContact O-N 3.01Å; T293-A296 PolarHBondContact O-N 3.37Å; T293-A297 WeakPolarHBondContact O-CB 3.36Å; T293-A297 PolarHBondContact O-N 3.49Å; T293-I354 HydrophobicContact CG2-CG2 4.17Å; T293-V357 HydrophobicContact CG2-CG2 4.42Å; T293-V357 WeakPolarHBondContact OG1-CG2 3.42Å; T293-V478 HydrophobicContact CG2-CB 4.07Å; T293-V478 HydrophobicContact CG2-CG1 3.76Å; T293-A479 HydrophobicContact CG2-CB 4.09Å; T293-A479 WeakPolarHBondContact O-CB 3.3Å
294	L	98.7	Very high	96.4	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-68.8	-42	177.5	-175.8	51.3	0	0	0	112.5	V267 A269 G290 L291 I292 A296 A297 A298 Y316 F318 I354	V267-L294 HydrophobicContact CB-CD1 4.13Å; V267-L294 HydrophobicContact CG1-CD1 3.41Å; V267-L294 VanDerWaalsContact CG1-CD1 3.41Å; V267-L294 HydrophobicContact CG1-CD2 4.38Å; A269-L294 HydrophobicContact CB-CB 4.08Å; A269-L294 HydrophobicContact CB-CD2 3.72Å; G290-L294 PolarHBondContact O-N 3.46Å; L291-L294 PolarHBondContact O-N 3Å; I292-L294 VanDerWaalsContact C-N 3.33Å; I292-L294 PolarHBondContact O-N 3.16Å; L294-A296 VanDerWaalsContact C-N 3.31Å; L294-A296 PolarHBondContact O-N 3Å; L294-A297 PolarHBondContact O-N 3.07Å; L294-A298 WeakPolarHBondContact O-CB 3.42Å; L294-A298 PolarHBondContact O-N 2.64Å; L294-Y316 HydrophobicContact CD1-CD1 3.91Å; L294-F318 HydrophobicContact CB-CE1 3.77Å; L294-F318 HydrophobicContact CB-CZ 4.06Å; L294-F318 HydrophobicContact CD2-CD1 4.14Å; L294-F318 HydrophobicContact CD2-CE1 3.6Å; L294-F318 HydrophobicContact CD2-CE2 4.41Å; L294-F318 HydrophobicContact CD2-CZ 3.76Å; L294-F318 HydrophobicContact CG-CE1 3.73Å; L294-F318 HydrophobicContact CG-CZ 3.64Å; L294-I354 HydrophobicContact CB-CD1 3.8Å; L294-I354 HydrophobicContact CD1-CD1 3.87Å; L294-I354 HydrophobicContact CG-CD1 4.3Å
295	L	98.6	Very high	95.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-58.7	-44.4	174.2	-72.7	171	0	0	0	111.4	L291 I292 A298 H299 F318 M510 F514 L560 L561 L564	L291-L295 HydrophobicContact CD1-CD1 3.98Å; L291-L295 HydrophobicContact CD1-CG 4.29Å; L291-L295 HydrophobicContact CG-CD1 4.14Å; L291-L295 WeakPolarHBondContact O-CG 3.21Å; L291-L295 PolarHBondContact O-N 3.1Å; I292-L295 PolarHBondContact O-N 3.25Å; L295-A298 PolarHBondContact O-N 2.86Å; L295-H299 PolarHBondContact O-N 3.3Å; L295-F318 HydrophobicContact CD2-CE1 4.29Å; L295-F318 HydrophobicContact CD2-CE2 4.21Å; L295-F318 HydrophobicContact CD2-CZ 3.67Å; L295-F318 HydrophobicContact CG-CE1 4.08Å; L295-F318 HydrophobicContact CG-CZ 3.89Å; L295-M510 HydrophobicContact CB-CE 4.23Å; L295-M510 HydrophobicContact CB-SD 3.7Å; L295-M510 HydrophobicContact CD1-SD 3.93Å; L295-M510 HydrophobicContact CG-SD 4.46Å; L295-F514 HydrophobicContact CD1-CE2 4.33Å; L295-L560 HydrophobicContact CD1-CB 4.37Å; L295-L560 HydrophobicContact CD1-CD1 4.34Å; L295-L561 HydrophobicContact CD2-CB 3.75Å; L295-L561 HydrophobicContact CD2-CD1 3.94Å; L295-L561 HydrophobicContact CD2-CG 4.39Å; L295-L564 HydrophobicContact CB-CD1 4.08Å
296	A	98.6	Very high	95.3	Very high	3 Å²	3	20 Å²	20	3%	0.025	10%	0.104	C	C	.	.	H	α-helix	trans	-67.2	-37.9	177.5	0	0	0	0	0	112.5	I292 T293 L294 H299 A300 A479 A502 V507 M510	I292-A296 VanDerWaalsContact O-CB 3.26Å; I292-A296 WeakPolarHBondContact O-CB 3.42Å; I292-A296 PolarHBondContact O-N 3.12Å; T293-A296 PolarHBondContact O-N 3.37Å; L294-A296 VanDerWaalsContact C-N 3.31Å; L294-A296 PolarHBondContact O-N 3Å; A296-H299 WeakPolarHBondContact O-CB 3.25Å; A296-H299 PolarHBondContact O-N 2.94Å; A296-A300 WeakPolarHBondContact O-CB 3.24Å; A296-A300 PolarHBondContact O-N 3.25Å; A296-A479 HydrophobicContact CB-CB 3.56Å; A296-A502 HydrophobicContact CB-CB 4.35Å; A296-V507 HydrophobicContact CB-CG2 3.59Å; A296-M510 HydrophobicContact CB-CE 3.9Å
297	A	98.4	Very high	94.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.9	-42	174.8	0	0	0	0	0	111.4	T293 L294 H299 A300 L301 A479 V482 A483	T293-A297 WeakPolarHBondContact O-CB 3.36Å; T293-A297 PolarHBondContact O-N 3.49Å; L294-A297 PolarHBondContact O-N 3.07Å; A297-H299 VanDerWaalsContact C-N 3.33Å; A297-H299 PolarHBondContact O-N 3.09Å; A297-A300 PolarHBondContact O-N 2.69Å; A297-L301 WeakPolarHBondContact O-CB 3.28Å; A297-L301 WeakPolarHBondContact O-CG 3.26Å; A297-L301 PolarHBondContact O-N 2.75Å; A297-A479 HydrophobicContact CB-CB 4.42Å; A297-A479 WeakPolarHBondContact CB-O 3.21Å; A297-V482 HydrophobicContact CB-CB 4.22Å; A297-V482 HydrophobicContact CB-CG1 3.93Å; A297-A483 HydrophobicContact CB-CB 4.18Å
298	A	97.8	Very high	93.7	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-62.3	-40.5	175.1	0	0	0	0	0	111.8	L294 L295 L301 R302 Y316 L561 T565	L294-A298 WeakPolarHBondContact O-CB 3.42Å; L294-A298 PolarHBondContact O-N 2.64Å; L295-A298 PolarHBondContact O-N 2.86Å; A298-L301 PolarHBondContact O-N 3.04Å; A298-R302 PolarHBondContact O-N 3.39Å; A298-Y316 HydrophobicContact CB-CD1 3.98Å; A298-Y316 HydrophobicContact CB-CD2 4.26Å; A298-Y316 HydrophobicContact CB-CE1 3.75Å; A298-Y316 HydrophobicContact CB-CE2 4.06Å; A298-Y316 HydrophobicContact CB-CG 4.24Å; A298-L561 HydrophobicContact CB-CD1 4.02Å; A298-T565 HydrophobicContact CB-CG2 3.82Å
299	H	97.4	Very high	92.9	Very high	56 Å²	56	36.3 Å²	36.3	26%	0.259	19%	0.187	S	C	.	.	H	α-helix	trans	-61.5	-48.4	173.6	-176.1	-145.6	0	0	0	112.1	L295 A296 A297 L301 R302 L564	L295-H299 PolarHBondContact O-N 3.3Å; A296-H299 WeakPolarHBondContact O-CB 3.25Å; A296-H299 PolarHBondContact O-N 2.94Å; A297-H299 VanDerWaalsContact C-N 3.33Å; A297-H299 PolarHBondContact O-N 3.09Å; H299-L301 PolarHBondContact O-N 3.42Å; H299-R302 WeakPolarHBondContact O-CB 3.22Å; H299-R302 PolarHBondContact O-N 2.92Å; H299-L564 HydrophobicContact CB-CB 3.97Å; H299-L564 HydrophobicContact CB-CD1 4.44Å; H299-L564 HydrophobicContact CB-CD2 3.95Å; H299-L564 HydrophobicContact CB-CG 4.32Å; H299-L564 PolarHBondContact CD2-O 3.38Å
300	A	96.9	Very high	92.5	Very high	17 Å²	17	38 Å²	38	14%	0.14	20%	0.196	C	C	.	.	H	α-helix	trans	-61.6	-31	179.6	0	0	0	0	0	112.6	A296 A297 A483 I500 A502	A296-A300 WeakPolarHBondContact O-CB 3.24Å; A296-A300 PolarHBondContact O-N 3.25Å; A297-A300 PolarHBondContact O-N 2.69Å; A300-A483 HydrophobicContact CB-CB 3.93Å; A300-I500 HydrophobicContact CB-CG2 4.13Å; A300-A502 HydrophobicContact CB-CB 4.13Å
301	L	95.6	Very high	92.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-80.1	-20.6	179.5	-82.9	170.3	0	0	0	114.4	A297 A298 H299 N303 A304 T305 I314 Y316 A483 L486 F487 I500	A297-L301 WeakPolarHBondContact O-CB 3.28Å; A297-L301 WeakPolarHBondContact O-CG 3.26Å; A297-L301 PolarHBondContact O-N 2.75Å; A298-L301 PolarHBondContact O-N 3.04Å; H299-L301 PolarHBondContact O-N 3.42Å; L301-N303 PolarHBondContact O-N 2.8Å; L301-A304 PolarHBondContact O-N 3.46Å; L301-A304 VanDerWaalsContact O-N 3.13Å; L301-T305 HydrophobicContact CB-CG2 4.1Å; L301-T305 HydrophobicContact CD2-CG2 4.36Å; L301-T305 WeakPolarHBondContact O-CG2 3.31Å; L301-T305 PolarHBondContact O-N 3.26Å; L301-T305 PolarHBondContact O-OG1 3.15Å; L301-T305 VanDerWaalsContact O-OG1 3.08Å; L301-I314 HydrophobicContact CD1-CD1 3.91Å; L301-Y316 HydrophobicContact CD1-CE1 4.35Å; L301-Y316 WeakPolarHBondContact CD1-OH 3.47Å; L301-A483 HydrophobicContact CD1-CB 4.27Å; L301-A483 HydrophobicContact CD2-CB 4.45Å; L301-A483 WeakPolarHBondContact CD2-O 3.41Å; L301-A483 HydrophobicContact CG-CB 3.86Å; L301-L486 HydrophobicContact CD1-CB 4.02Å; L301-L486 HydrophobicContact CD1-CD1 4.07Å; L301-F487 HydrophobicContact CD2-CB 3.84Å; L301-F487 HydrophobicContact CD2-CD2 4.22Å; L301-F487 HydrophobicContact CD2-CG 4.48Å; L301-I500 HydrophobicContact CD2-CD1 4.31Å
302	R	92.1	Very high	92.1	Very high	67 Å²	67	46.9 Å²	46.9	25%	0.253	24%	0.238	S	C	.	.	H	α-helix	trans	-46.1	-58.7	-171.8	172.8	176.3	162	174	3.7	112.9	A298 H299 T305 Q306 L564 G566	A298-R302 PolarHBondContact O-N 3.39Å; H299-R302 WeakPolarHBondContact O-CB 3.22Å; H299-R302 PolarHBondContact O-N 2.92Å; R302-T305 PolarHBondContact O-N 2.64Å; R302-T305 PolarHBondContact O-OG1 3.12Å; R302-Q306 WeakPolarHBondContact O-CG 3.05Å; R302-Q306 PolarHBondContact O-N 3.18Å; R302-L564 WeakPolarHBondContact CD-O 3.19Å; R302-L564 PolarHBondContact NH1-O 3.19Å; R302-G566 PolarHBondContact NH1-O 2.75Å; R302-G566 PolarHBondContact NH2-O 2.96Å
303	N	89	Confident	91.9	Very high	102 Å²	102	47.1 Å²	47.1	55%	0.545	24%	0.239	S	C	.	.	H	α-helix	trans	-67.1	-43.3	-176.1	-63.7	-12.1	0	0	0	111.4	L301 T305 Q306 D307	L301-N303 PolarHBondContact O-N 2.8Å; N303-T305 VanDerWaalsContact C-N 3.29Å; N303-T305 PolarHBondContact O-N 2.97Å; N303-Q306 PolarHBondContact O-N 3.44Å; N303-Q306 VanDerWaalsContact O-N 3.08Å; N303-D307 PolarHBondContact O-N 3.28Å
304	A	89.2	Confident	91.9	Very high	20 Å²	20	47.1 Å²	47.1	17%	0.165	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-37.2	-179.3	0	0	0	0	0	112.5	L301 Q306 A308 F487 I500	L301-A304 PolarHBondContact O-N 3.46Å; L301-A304 VanDerWaalsContact O-N 3.13Å; A304-Q306 VanDerWaalsContact C-N 3.33Å; A304-A308 VanDerWaalsContact O-CB 3.23Å; A304-A308 WeakPolarHBondContact O-CB 3.22Å; A304-A308 PolarHBondContact O-N 3.07Å; A304-F487 HydrophobicContact CB-CD2 4Å; A304-F487 HydrophobicContact CB-CE2 3.81Å; A304-I500 HydrophobicContact CB-CD1 3.88Å; A304-I500 HydrophobicContact CB-CG1 4.01Å
305	T	86.8	Confident	91.8	Very high	27 Å²	27	47.1 Å²	47.1	17%	0.166	24%	0.239	C	C	.	.	H	α-helix	trans	-74.9	-20.3	177.1	58.8	0	0	0	0	113.7	L301 R302 N303 L310 I314	L301-T305 HydrophobicContact CB-CG2 4.1Å; L301-T305 HydrophobicContact CD2-CG2 4.36Å; L301-T305 WeakPolarHBondContact O-CG2 3.31Å; L301-T305 PolarHBondContact O-N 3.26Å; L301-T305 PolarHBondContact O-OG1 3.15Å; L301-T305 VanDerWaalsContact O-OG1 3.08Å; R302-T305 PolarHBondContact O-N 2.64Å; R302-T305 PolarHBondContact O-OG1 3.12Å; N303-T305 VanDerWaalsContact C-N 3.29Å; N303-T305 PolarHBondContact O-N 2.97Å; T305-L310 HydrophobicContact CG2-CD1 3.86Å; T305-I314 HydrophobicContact CG2-CD1 4.41Å
306	Q	82.2	Confident	91.8	Very high	119 Å²	119	47.4 Å²	47.4	56%	0.556	24%	0.241	S	C	*	.	H	α-helix	trans	-82.9	-36.1	174.2	-71.5	177.4	-0.9	0	0	111.7	R302 N303 A304	R302-Q306 WeakPolarHBondContact O-CG 3.05Å; R302-Q306 PolarHBondContact O-N 3.18Å; N303-Q306 PolarHBondContact O-N 3.44Å; N303-Q306 VanDerWaalsContact O-N 3.08Å; A304-Q306 VanDerWaalsContact C-N 3.33Å
307	D	78.4	Confident	91.8	Very high	138 Å²	138	47.3 Å²	47.3	74%	0.738	24%	0.24	S	C	*	.	H	α-helix	trans	-84.7	-31	-176.8	-65.7	-25.4	0	0	0	113.3	N303	N303-D307 PolarHBondContact O-N 3.28Å
308	A	79.8	Confident	91.8	Very high	19 Å²	19	47.3 Å²	47.3	16%	0.157	24%	0.24	C	C	.	.	S	Bend	trans	-99.9	132.4	-176.8	0	0	0	0	0	111.9	A304 L310 F487	A304-A308 VanDerWaalsContact O-CB 3.23Å; A304-A308 WeakPolarHBondContact O-CB 3.22Å; A304-A308 PolarHBondContact O-N 3.07Å; A308-L310 HydrophobicContact CB-CD2 4.19Å; A308-L310 HydrophobicContact CB-CG 4.5Å; A308-L310 PolarHBondContact O-N 2.96Å; A308-F487 HydrophobicContact CB-CE2 3.85Å; A308-F487 HydrophobicContact CB-CZ 3.91Å
309	Q	81.6	Confident	91.8	Very high	192 Å²	192	47.2 Å²	47.2	90%	0.897	24%	0.239	S	C	*	.			trans	-76	105.5	165	-171.3	170.8	-0.4	0	0	108.6
310	L	89.3	Confident	91.8	Very high	35 Å²	35	44.6 Å²	44.6	18%	0.183	23%	0.227	C	C	.	.			trans	-90.9	146.2	178.9	-61.9	175.9	0	0	0	110.5	T305 A308 R312 F487 A490	T305-L310 HydrophobicContact CG2-CD1 3.86Å; A308-L310 HydrophobicContact CB-CD2 4.19Å; A308-L310 HydrophobicContact CB-CG 4.5Å; A308-L310 PolarHBondContact O-N 2.96Å; L310-R312 VanDerWaalsContact C-N 3.33Å; L310-F487 HydrophobicContact CD2-CD2 4.13Å; L310-F487 HydrophobicContact CD2-CE2 3.86Å; L310-F487 HydrophobicContact CD2-CZ 4.42Å; L310-A490 HydrophobicContact CB-CB 4.22Å; L310-A490 HydrophobicContact CD1-CB 3.92Å; L310-A490 HydrophobicContact CD2-CB 4.1Å; L310-A490 HydrophobicContact CG-CB 4.3Å
311	D	91.4	Very high	91.8	Very high	125 Å²	125	43.8 Å²	43.8	67%	0.668	22%	0.22	S	C	*	.	S	Bend	trans	-77.1	-24.9	178.3	-63.8	-27.9	0	0	0	111.8	A490	D311-A490 PolarHBondContact N-O 2.53Å
312	R	94.6	Very high	91.9	Very high	64 Å²	64	44 Å²	44	24%	0.242	22%	0.221	C	C	.	.	S	Bend	trans	-130.7	145.5	-177.7	-53.1	178.4	179.5	79.3	1.5	111	S263 I265 L310 H349 Q489 A490	S263-R312 CarbonylContact O-C 3.51Å; S263-R312 VanDerWaalsContact O-CA 3.3Å; S263-R312 WeakPolarHBondContact O-CA 3.47Å; S263-R312 WeakPolarHBondContact O-CB 3.21Å; I265-R312 HydrophobicContact CD1-CB 4.06Å; I265-R312 HydrophobicContact CG1-CB 4.26Å; L310-R312 VanDerWaalsContact C-N 3.33Å; R312-H349 PolarHBondContact NE-CD2 3.3Å; R312-H349 VanDerWaalsContact NE-CD2 3.26Å; R312-H349 PolarHBondContact NE-CE1 2.82Å; R312-H349 PolarHBondContact NE-NE2 3.47Å; R312-H349 VanDerWaalsContact NE-NE2 3.18Å; R312-H349 PolarHBondContact NH2-NE2 2.74Å; R312-Q489 PolarHBondContact NH1-O 2.95Å; R312-A490 PolarHBondContact N-O 3.39Å
313	T	95.3	Very high	92.1	Very high	4 Å²	4	41 Å²	41	3%	0.025	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	129.1	176.1	-62.9	0	0	0	0	109.8	P247 K249 E262 S263 V264 I265	P247-T313 HydrophobicContact CB-CG2 3.83Å; K249-T313 HydrophobicContact CB-CG2 4.01Å; E262-T313 PolarHBondContact OE2-OG1 3.21Å; S263-T313 PolarHBondContact O-N 3.48Å; V264-T313 CarbonylContact C-O 3.58Å; V264-T313 VanDerWaalsContact CA-O 3.27Å; V264-T313 WeakPolarHBondContact CA-O 3.4Å; I265-T313 PolarHBondContact N-O 3.39Å
314	I	97.4	Very high	92.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	126.6	172.9	-57.8	167.5	0	0	0	107.4	P247 S248 V267 L301 T305 Y316 L486 A490	P247-I314 CarbonylContact C-O 3.58Å; P247-I314 WeakPolarHBondContact CA-O 3.45Å; S248-I314 PolarHBondContact N-O 3.4Å; S248-I314 PolarHBondContact OG-N 2.63Å; S248-I314 PolarHBondContact OG-O 3.21Å; V267-I314 HydrophobicContact CG2-CG2 3.81Å; L301-I314 HydrophobicContact CD1-CD1 3.91Å; T305-I314 HydrophobicContact CG2-CD1 4.41Å; I314-Y316 HydrophobicContact CG2-CD1 4.04Å; I314-Y316 HydrophobicContact CG2-CE1 3.5Å; I314-Y316 HydrophobicContact CG2-CE2 4.27Å; I314-L486 HydrophobicContact CD1-CB 4.02Å; I314-L486 HydrophobicContact CG2-CD1 4.33Å; I314-A490 HydrophobicContact CD1-CB 4.14Å; I314-A490 HydrophobicContact CG1-CB 4.03Å
315	F	97.4	Very high	92.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	94.3	-173.6	-160.3	-88.5	0	0	0	109.1	W245 P247 L251 V264 I265 I266 V267 T317 F341 I343	W245-F315 HydrophobicContact CB-CE1 3.84Å; W245-F315 HydrophobicContact CB-CZ 4.21Å; W245-F315 HydrophobicContact CD2-CE1 4.25Å; W245-F315 AromaticContact CD2-CZ 3.72Å; W245-F315 HydrophobicContact CD2-CZ 3.72Å; W245-F315 AromaticContact CE3-CE1 3.98Å; W245-F315 HydrophobicContact CE3-CE1 3.98Å; W245-F315 AromaticContact CE3-CE2 3.63Å; W245-F315 HydrophobicContact CE3-CE2 3.63Å; W245-F315 AromaticContact CE3-CZ 3.15Å; W245-F315 HydrophobicContact CE3-CZ 3.15Å; W245-F315 HydrophobicContact CG-CE1 4.24Å; W245-F315 HydrophobicContact CG-CZ 4.19Å; W245-F315 AromaticContact CZ3-CE2 3.84Å; W245-F315 HydrophobicContact CZ3-CE2 3.84Å; W245-F315 AromaticContact CZ3-CZ 3.71Å; W245-F315 HydrophobicContact CZ3-CZ 3.71Å; P247-F315 HydrophobicContact CB-CD2 3.81Å; P247-F315 HydrophobicContact CB-CE2 4.06Å; L251-F315 HydrophobicContact CD1-CD2 4.34Å; L251-F315 HydrophobicContact CD1-CE2 4.12Å; V264-F315 HydrophobicContact CB-CB 4.39Å; I265-F315 PolarHBondContact O-N 2.91Å; I266-F315 HydrophobicContact CD1-CB 4.04Å; I266-F315 HydrophobicContact CD1-CD1 3.66Å; I266-F315 HydrophobicContact CD1-CE1 4.46Å; I266-F315 HydrophobicContact CD1-CG 4.06Å; V267-F315 PolarHBondContact N-O 3.12Å; F315-T317 HydrophobicContact CD1-CG2 3.42Å; F315-T317 VanDerWaalsContact CD1-CG2 3.42Å; F315-T317 HydrophobicContact CE1-CG2 3.6Å; F315-F341 AromaticContact CE1-CE1 3.94Å; F315-F341 HydrophobicContact CE1-CE1 3.94Å; F315-F341 HydrophobicContact CE1-CZ 4.06Å; F315-F341 AromaticContact CZ-CE1 3.63Å; F315-F341 HydrophobicContact CZ-CE1 3.63Å; F315-F341 AromaticContact CZ-CZ 3.83Å; F315-F341 HydrophobicContact CZ-CZ 3.83Å; F315-I343 HydrophobicContact CD1-CD1 4.47Å; F315-I343 HydrophobicContact CD2-CD1 4.13Å; F315-I343 HydrophobicContact CE1-CD1 4.38Å; F315-I343 HydrophobicContact CE2-CD1 4.02Å; F315-I343 HydrophobicContact CG-CD1 4.36Å; F315-I343 HydrophobicContact CZ-CD1 4.16Å
316	Y	98.3	Very high	93.3	Very high	6 Å²	6	35.4 Å²	35.4	2%	0.024	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	130.2	-179.8	-52.3	-70.6	0	0	0	109.4	W245 A246 V267 L294 A298 L301 I314	W245-Y316 CarbonylContact C-O 3.39Å; W245-Y316 WeakPolarHBondContact CA-O 3.46Å; A246-Y316 HydrophobicContact CB-CD2 4.45Å; A246-Y316 PolarHBondContact N-O 2.95Å; A246-Y316 VanDerWaalsContact O-CD2 3.24Å; A246-Y316 WeakPolarHBondContact O-CD2 3.3Å; A246-Y316 PolarHBondContact O-N 2.83Å; V267-Y316 CarbonylContact O-C 3.56Å; L294-Y316 HydrophobicContact CD1-CD1 3.91Å; A298-Y316 HydrophobicContact CB-CD1 3.98Å; A298-Y316 HydrophobicContact CB-CD2 4.26Å; A298-Y316 HydrophobicContact CB-CE1 3.75Å; A298-Y316 HydrophobicContact CB-CE2 4.06Å; A298-Y316 HydrophobicContact CB-CG 4.24Å; L301-Y316 HydrophobicContact CD1-CE1 4.35Å; L301-Y316 WeakPolarHBondContact CD1-OH 3.47Å; I314-Y316 HydrophobicContact CG2-CD1 4.04Å; I314-Y316 HydrophobicContact CG2-CE1 3.5Å; I314-Y316 HydrophobicContact CG2-CE2 4.27Å
317	T	98.3	Very high	94	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	135.7	-176.3	50.5	0	0	0	0	110.2	I244 W245 I266 V267 S268 A269 F315 M332	I244-T317 CarbonylContact O-C 3.53Å; I244-T317 WeakPolarHBondContact O-CA 3.4Å; W245-T317 HydrophobicContact CB-CG2 3.98Å; I266-T317 HydrophobicContact CG2-CG2 4.46Å; V267-T317 PolarHBondContact O-N 3.47Å; V267-T317 PolarHBondContact O-OG1 2.7Å; S268-T317 VanDerWaalsContact CA-O 3.26Å; S268-T317 WeakPolarHBondContact CA-O 3.35Å; S268-T317 WeakPolarHBondContact CA-OG1 3.48Å; S268-T317 WeakPolarHBondContact CB-OG1 3.29Å; A269-T317 PolarHBondContact N-O 3.22Å; A269-T317 VanDerWaalsContact N-O 3.12Å; F315-T317 HydrophobicContact CD1-CG2 3.42Å; F315-T317 VanDerWaalsContact CD1-CG2 3.42Å; F315-T317 HydrophobicContact CE1-CG2 3.6Å; T317-M332 HydrophobicContact CG2-CE 3.61Å; T317-M332 HydrophobicContact CG2-SD 4.3Å
318	F	98.6	Very high	94.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	111.6	175.1	-56.8	-88.8	0	0	0	106.7	N243 I244 A269 L271 L291 L294 L295 L561	N243-F318 WeakPolarHBondContact CA-O 3.24Å; N243-F318 WeakPolarHBondContact CB-O 3.3Å; I244-F318 HydrophobicContact CB-CB 4.2Å; I244-F318 HydrophobicContact CB-CD2 4.17Å; I244-F318 HydrophobicContact CG2-CD2 4.27Å; I244-F318 PolarHBondContact N-O 3.39Å; I244-F318 PolarHBondContact O-N 3.42Å; A269-F318 HydrophobicContact CB-CD1 4.15Å; A269-F318 HydrophobicContact CB-CE1 4.33Å; A269-F318 WeakPolarHBondContact O-CA 3.38Å; L271-F318 HydrophobicContact CB-CB 4.36Å; L271-F318 HydrophobicContact CD2-CB 4.21Å; L291-F318 HydrophobicContact CD1-CD1 3.23Å; L291-F318 HydrophobicContact CD1-CE1 3.41Å; L291-F318 VanDerWaalsContact CD1-CE1 3.41Å; L291-F318 HydrophobicContact CD1-CG 4.14Å; L291-F318 HydrophobicContact CD1-CZ 4.45Å; L294-F318 HydrophobicContact CB-CE1 3.77Å; L294-F318 HydrophobicContact CB-CZ 4.06Å; L294-F318 HydrophobicContact CD2-CD1 4.14Å; L294-F318 HydrophobicContact CD2-CE1 3.6Å; L294-F318 HydrophobicContact CD2-CE2 4.41Å; L294-F318 HydrophobicContact CD2-CZ 3.76Å; L294-F318 HydrophobicContact CG-CE1 3.73Å; L294-F318 HydrophobicContact CG-CZ 3.64Å; L295-F318 HydrophobicContact CD2-CE1 4.29Å; L295-F318 HydrophobicContact CD2-CE2 4.21Å; L295-F318 HydrophobicContact CD2-CZ 3.67Å; L295-F318 HydrophobicContact CG-CE1 4.08Å; L295-F318 HydrophobicContact CG-CZ 3.89Å; F318-L561 HydrophobicContact CD2-CD2 4.27Å; F318-L561 HydrophobicContact CE2-CD1 4.18Å; F318-L561 HydrophobicContact CE2-CD2 3.72Å; F318-L561 HydrophobicContact CE2-CG 4.48Å
319	F	98.5	Very high	95.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	138.7	-174.9	-64.2	-63.4	0	0	0	109.5	N243 A269 L271 E322 M332 S414 F418	N243-F319 HydrophobicContact CB-CD1 4.45Å; N243-F319 WeakPolarHBondContact OD1-CA 3.45Å; A269-F319 PolarHBondContact O-N 3.07Å; A269-F319 VanDerWaalsContact O-N 3.15Å; L271-F319 WeakPolarHBondContact CA-O 3.15Å; L271-F319 WeakPolarHBondContact CB-O 3.16Å; L271-F319 PolarHBondContact N-O 3.14Å; F319-E322 VanDerWaalsContact C-CD 3.43Å; F319-E322 HydrophobicContact CB-CG 4.21Å; F319-E322 WeakPolarHBondContact CB-OE1 3.4Å; F319-E322 WeakPolarHBondContact CB-OE2 3.47Å; F319-E322 VanDerWaalsContact O-CD 3.3Å; F319-M332 HydrophobicContact CE1-CB 3.88Å; F319-M332 HydrophobicContact CE1-CE 3.32Å; F319-M332 HydrophobicContact CE1-CG 4.34Å; F319-M332 HydrophobicContact CE1-SD 3.73Å; F319-M332 HydrophobicContact CZ-CE 3.3Å; F319-M332 HydrophobicContact CZ-SD 4.33Å; F319-S414 WeakPolarHBondContact CD2-OG 3.46Å; F319-S414 WeakPolarHBondContact CE2-OG 3.23Å; F319-F418 HydrophobicContact CE2-CE2 4.02Å; F319-F418 AromaticContact CZ-CE2 3.73Å; F319-F418 HydrophobicContact CZ-CE2 3.73Å; F319-F418 AromaticContact CZ-CZ 3.89Å; F319-F418 HydrophobicContact CZ-CZ 3.89Å
320	H	96.9	Very high	96.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.066	C	C	.	.	S	Bend	trans	-111.1	133	175.9	-154.5	-50.9	0	0	0	109.9	D241 N243 L271 E322 G328 I544 S551 T554 A622	D241-H320 HydrophobicContact CB-CB 4.49Å; D241-H320 IonicContact OD2-CD2 2.61Å; D241-H320 IonicContact OD2-NE2 3.77Å; N243-H320 PolarHBondContact OD1-N 2.79Å; L271-H320 HydrophobicContact CB-CB 4.47Å; L271-H320 HydrophobicContact CD2-CB 4.42Å; H320-E322 WeakPolarHBondContact CA-OE2 3.48Å; H320-E322 PolarHBondContact N-OE2 3.3Å; H320-E322 VanDerWaalsContact N-OE2 3.15Å; H320-G328 WeakPolarHBondContact O-CA 3.48Å; H320-G328 PolarHBondContact O-N 3.4Å; H320-I544 VanDerWaalsContact CE1-CA 3.42Å; H320-I544 WeakPolarHBondContact CE1-CA 3.47Å; H320-I544 WeakPolarHBondContact CE1-CB 3.47Å; H320-I544 VanDerWaalsContact ND1-CB 3.34Å; H320-I544 WeakPolarHBondContact ND1-CB 3.4Å; H320-I544 WeakPolarHBondContact ND1-CG1 3.38Å; H320-S551 PolarHBondContact NE2-OG 2.98Å; H320-T554 PolarHBondContact CD2-OG1 3.2Å; H320-A622 HydrophobicContact CB-CB 4.3Å
321	G	96.6	Very high	97	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.058	C	C	.	.			trans	95.4	25.5	176.4	0	0	0	0	0	114.5	D272 T323 F324 I327	D272-G321 VanDerWaalsContact CG-CA 3.47Å; D272-G321 PolarHBondContact OD1-N 2.86Å; D272-G321 WeakPolarHBondContact OD2-CA 3.37Å; D272-G321 PolarHBondContact OD2-N 2.89Å; G321-T323 VanDerWaalsContact C-N 3.29Å; G321-F324 PolarHBondContact O-N 2.66Å; G321-I327 PolarHBondContact O-N 2.72Å
322	E	97.9	Very high	97.3	Very high	5 Å²	5	6 Å²	6	2%	0.023	3%	0.027	C	C	.	.	G	3₁₀ helix	trans	-71.4	-27.3	176.4	-72.8	83.3	96.1	0	0	111.8	N132 R270 D272 F319 H320 F324 Y326	N132-E322 PolarHBondContact ND2-O 3.49Å; R270-E322 VanDerWaalsContact CA-OE1 3.27Å; R270-E322 WeakPolarHBondContact CA-OE1 3.43Å; R270-E322 HydrophobicContact CG-CB 4.1Å; R270-E322 WeakPolarHBondContact CG-OE1 3.29Å; D272-E322 VanDerWaalsContact CG-N 3.26Å; D272-E322 PolarHBondContact OD1-N 3.33Å; D272-E322 PolarHBondContact OD2-N 3.28Å; F319-E322 VanDerWaalsContact C-CD 3.43Å; F319-E322 HydrophobicContact CB-CG 4.21Å; F319-E322 WeakPolarHBondContact CB-OE1 3.4Å; F319-E322 WeakPolarHBondContact CB-OE2 3.47Å; F319-E322 VanDerWaalsContact O-CD 3.3Å; H320-E322 WeakPolarHBondContact CA-OE2 3.48Å; H320-E322 PolarHBondContact N-OE2 3.3Å; H320-E322 VanDerWaalsContact N-OE2 3.15Å; E322-F324 PolarHBondContact O-N 2.95Å; E322-Y326 HydrophobicContact CB-CD1 4.25Å; E322-Y326 HydrophobicContact CG-CD1 4.16Å
323	T	96	Very high	97.5	Very high	3 Å²	3	3.4 Å²	3.4	2%	0.018	2%	0.018	C	C	.	.	G	3₁₀ helix	trans	-70.4	-10.6	175.8	-158	0	0	0	0	113.4	D272 R274 G321 Q442	D272-T323 WeakPolarHBondContact OD2-CB 3.46Å; D272-T323 VanDerWaalsContact OD2-CG2 3.22Å; D272-T323 WeakPolarHBondContact OD2-CG2 3.41Å; D272-T323 PolarHBondContact OD2-N 2.94Å; R274-T323 HydrophobicContact CB-CG2 3.95Å; R274-T323 HydrophobicContact CG-CG2 3.79Å; G321-T323 VanDerWaalsContact C-N 3.29Å; T323-Q442 PolarHBondContact OG1-NE2 2.91Å
324	F	96	Very high	97.6	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.021	C	C	.	.	G	3₁₀ helix	trans	-117.2	57.6	-178.6	-71.5	-76.9	0	0	0	111.5	L43 L239 R274 G321 E322 Y326 I327 Y543 I544 S638 W640	L43-F324 HydrophobicContact CD1-CE1 3.61Å; L43-F324 HydrophobicContact CD1-CZ 3.97Å; L239-F324 HydrophobicContact CD1-CB 4.31Å; L239-F324 HydrophobicContact CD1-CD1 3.68Å; L239-F324 HydrophobicContact CD1-CD2 3.87Å; L239-F324 HydrophobicContact CD1-CE1 3.89Å; L239-F324 HydrophobicContact CD1-CE2 4.06Å; L239-F324 HydrophobicContact CD1-CG 3.68Å; L239-F324 HydrophobicContact CD1-CZ 4.08Å; R274-F324 HydrophobicContact CB-CE2 4.29Å; R274-F324 HydrophobicContact CB-CZ 4.29Å; G321-F324 PolarHBondContact O-N 2.66Å; E322-F324 PolarHBondContact O-N 2.95Å; F324-Y326 PolarHBondContact O-N 2.88Å; F324-I327 HydrophobicContact CB-CD1 3.62Å; F324-I327 HydrophobicContact CB-CG1 4.28Å; F324-I327 WeakPolarHBondContact O-CG1 3.26Å; F324-Y543 HydrophobicContact CE2-CD2 4.15Å; F324-Y543 AromaticContact CE2-CE2 3.84Å; F324-Y543 HydrophobicContact CE2-CE2 3.84Å; F324-Y543 HydrophobicContact CZ-CD2 4.33Å; F324-Y543 AromaticContact CZ-CE2 3.71Å; F324-Y543 HydrophobicContact CZ-CE2 3.71Å; F324-I544 HydrophobicContact CD2-CG2 3.25Å; F324-I544 HydrophobicContact CE2-CG2 3.59Å; F324-I544 HydrophobicContact CG-CG2 4.29Å; F324-S638 WeakPolarHBondContact O-CB 3.28Å; F324-S638 PolarHBondContact O-OG 3.14Å; F324-W640 HydrophobicContact CB-CB 4.41Å; F324-W640 HydrophobicContact CB-CG 4.14Å; F324-W640 HydrophobicContact CD1-CB 4.31Å; F324-W640 AromaticContact CD1-CD2 3.99Å; F324-W640 HydrophobicContact CD1-CD2 3.99Å; F324-W640 AromaticContact CD1-CG 3.84Å; F324-W640 HydrophobicContact CD1-CG 3.84Å; F324-W640 HydrophobicContact CG-CG 4.43Å
325	D	96.6	Very high	97.6	Very high	31 Å²	31	5 Å²	5	17%	0.166	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	41.4	178.5	-67.6	-51.4	0	0	0	113.6	N132 T135 W640	N132-D325 PolarHBondContact OD1-N 2.88Å; T135-D325 HydrophobicContact CG2-CB 3.64Å; T135-D325 WeakPolarHBondContact CG2-OD1 3.5Å; T135-D325 WeakPolarHBondContact OG1-CB 3.38Å; T135-D325 PolarHBondContact OG1-OD1 2.76Å; D325-W640 PolarHBondContact OD2-NE1 3.28Å
326	Y	97.8	Very high	97.6	Very high	2 Å²	2	5 Å²	5	1%	0.008	3%	0.025	C	C	.	.	S	Bend	trans	60.7	46.3	171.2	-52.5	-71.8	0	0	0	115.3	N132 E322 F324 G328 S330 P412 S413 R417	N132-Y326 HydrophobicContact CB-CD2 4.09Å; N132-Y326 HydrophobicContact CB-CE2 3.39Å; N132-Y326 WeakPolarHBondContact ND2-CE1 3.49Å; N132-Y326 VanDerWaalsContact ND2-CZ 3.33Å; E322-Y326 HydrophobicContact CB-CD1 4.25Å; E322-Y326 HydrophobicContact CG-CD1 4.16Å; F324-Y326 PolarHBondContact O-N 2.88Å; Y326-G328 PolarHBondContact O-N 3Å; Y326-S330 WeakPolarHBondContact O-CB 3.18Å; Y326-S330 PolarHBondContact O-N 3.2Å; Y326-P412 VanDerWaalsContact OH-C 3.26Å; Y326-P412 WeakPolarHBondContact OH-CA 3.35Å; Y326-P412 WeakPolarHBondContact OH-CB 3.47Å; Y326-S413 VanDerWaalsContact CE1-C 3.44Å; Y326-S413 WeakPolarHBondContact CE1-O 3.21Å; Y326-S413 PolarHBondContact OH-N 2.72Å; Y326-R417 VanDerWaalsContact CB-CG 3.42Å; Y326-R417 HydrophobicContact CD1-CG 4.17Å; Y326-R417 HydrophobicContact CD2-CG 4Å; Y326-R417 HydrophobicContact CG-CG 3.62Å
327	I	97.9	Very high	97.5	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	4%	0.043	C	C	.	.	H	α-helix	trans	-53.1	-56.7	179.9	-67	168.8	0	0	0	110.9	L239 G321 F324 K331 I544 A622 S638	L239-I327 HydrophobicContact CB-CD1 3.83Å; G321-I327 PolarHBondContact O-N 2.72Å; F324-I327 HydrophobicContact CB-CD1 3.62Å; F324-I327 HydrophobicContact CB-CG1 4.28Å; F324-I327 WeakPolarHBondContact O-CG1 3.26Å; I327-K331 WeakPolarHBondContact O-CB 3.42Å; I327-K331 PolarHBondContact O-N 3.42Å; I327-K331 VanDerWaalsContact O-N 3.08Å; I327-I544 HydrophobicContact CD1-CD1 4.26Å; I327-I544 HydrophobicContact CG2-CD1 4.4Å; I327-A622 WeakPolarHBondContact CG2-O 3.23Å; I327-S638 WeakPolarHBondContact CG1-OG 3.49Å
328	G	97.6	Very high	97.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-66	-52.7	-173.2	0	0	0	0	0	113.9	N243 H320 Y326 K331 M332	N243-G328 PolarHBondContact ND2-O 3Å; N243-G328 VanDerWaalsContact OD1-CA 3.22Å; N243-G328 WeakPolarHBondContact OD1-CA 3.27Å; H320-G328 WeakPolarHBondContact O-CA 3.48Å; H320-G328 PolarHBondContact O-N 3.4Å; Y326-G328 PolarHBondContact O-N 3Å; G328-K331 PolarHBondContact O-N 3.44Å; G328-M332 PolarHBondContact O-N 3.14Å; G328-M332 VanDerWaalsContact O-N 3.08Å
329	S	98.2	Very high	97.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-68.9	-36.9	-178.8	54.7	0	0	0	0	112.9	K331 M332 V333	S329-K331 VanDerWaalsContact C-N 3.29Å; S329-K331 PolarHBondContact O-N 3.32Å; S329-M332 PolarHBondContact O-N 2.85Å; S329-V333 WeakPolarHBondContact O-CG2 3.08Å; S329-V333 PolarHBondContact O-N 3.46Å
330	S	98	Very high	97.1	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.014	11%	0.114	C	C	.	.	H	α-helix	trans	-64.9	-35.2	174.2	-169.7	0	0	0	0	112.2	Y326 Y334 R417 Y637	Y326-S330 WeakPolarHBondContact O-CB 3.18Å; Y326-S330 PolarHBondContact O-N 3.2Å; S330-Y334 VanDerWaalsContact O-CB 3.3Å; S330-Y334 WeakPolarHBondContact O-CB 3.32Å; S330-Y334 PolarHBondContact O-N 3.31Å; S330-R417 PolarHBondContact OG-NH2 3.26Å; S330-Y637 WeakPolarHBondContact OG-CD1 3.19Å
331	K	97.9	Very high	97.1	Very high	5 Å²	5	24 Å²	24	2%	0.022	12%	0.115	C	C	.	.	H	α-helix	trans	-66.5	-45.1	175.7	179	49.1	175.7	160.9	0	111.5	I327 G328 S329 V333 Y334 D335 R621 I623 P625 E628	I327-K331 WeakPolarHBondContact O-CB 3.42Å; I327-K331 PolarHBondContact O-N 3.42Å; I327-K331 VanDerWaalsContact O-N 3.08Å; G328-K331 PolarHBondContact O-N 3.44Å; S329-K331 VanDerWaalsContact C-N 3.29Å; S329-K331 PolarHBondContact O-N 3.32Å; K331-V333 PolarHBondContact O-N 2.86Å; K331-Y334 HydrophobicContact CD-CD1 4.49Å; K331-Y334 WeakPolarHBondContact O-CB 3.11Å; K331-Y334 PolarHBondContact O-N 2.92Å; K331-D335 WeakPolarHBondContact CE-OD1 3.44Å; K331-D335 WeakPolarHBondContact CE-OD2 3.35Å; K331-D335 IonicContact NZ-OD1 2.76Å; K331-D335 PolarHBondContact NZ-OD1 3.23Å; K331-D335 IonicContact NZ-OD2 3.34Å; K331-D335 PolarHBondContact NZ-OD2 3Å; K331-D335 PolarHBondContact O-N 2.83Å; K331-R621 WeakPolarHBondContact CG-O 3.39Å; K331-I623 VanDerWaalsContact CB-O 3.3Å; K331-I623 WeakPolarHBondContact CB-O 3.48Å; K331-I623 VanDerWaalsContact CD-O 3.3Å; K331-I623 WeakPolarHBondContact CD-O 3.38Å; K331-I623 WeakPolarHBondContact CG-O 3.47Å; K331-P625 HydrophobicContact CD-CG 4.28Å; K331-E628 WeakPolarHBondContact CE-OE1 3.32Å; K331-E628 IonicContact NZ-OE1 2.88Å; K331-E628 PolarHBondContact NZ-OE1 3.38Å; K331-E628 IonicContact NZ-OE2 2.74Å; K331-E628 PolarHBondContact NZ-OE2 2.96Å
332	M	97.9	Very high	97	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-63.7	-42.9	178.1	-169.7	161.7	92.2	0	0	112.4	T317 F319 G328 S329 Y334 D335 M336 F341 F418	T317-M332 HydrophobicContact CG2-CE 3.61Å; T317-M332 HydrophobicContact CG2-SD 4.3Å; F319-M332 HydrophobicContact CE1-CB 3.88Å; F319-M332 HydrophobicContact CE1-CE 3.32Å; F319-M332 HydrophobicContact CE1-CG 4.34Å; F319-M332 HydrophobicContact CE1-SD 3.73Å; F319-M332 HydrophobicContact CZ-CE 3.3Å; F319-M332 HydrophobicContact CZ-SD 4.33Å; G328-M332 PolarHBondContact O-N 3.14Å; G328-M332 VanDerWaalsContact O-N 3.08Å; S329-M332 PolarHBondContact O-N 2.85Å; M332-Y334 VanDerWaalsContact C-N 3.33Å; M332-Y334 PolarHBondContact O-N 3.44Å; M332-D335 PolarHBondContact O-N 2.99Å; M332-M336 HydrophobicContact CE-CE 3.64Å; M332-M336 HydrophobicContact CG-CE 3.81Å; M332-M336 HydrophobicContact CG-SD 4.41Å; M332-M336 VanDerWaalsContact O-CG 3.31Å; M332-M336 WeakPolarHBondContact O-CG 3.08Å; M332-M336 PolarHBondContact O-N 3.26Å; M332-M336 HydrophobicContact SD-CE 4.08Å; M332-F341 HydrophobicContact CG-CD2 4.37Å; M332-F341 HydrophobicContact CG-CE1 4.43Å; M332-F341 HydrophobicContact CG-CE2 4.13Å; M332-F341 HydrophobicContact CG-CZ 4.17Å; M332-F341 HydrophobicContact SD-CE1 4.15Å; M332-F341 HydrophobicContact SD-CE2 4.02Å; M332-F341 HydrophobicContact SD-CZ 3.65Å; M332-F418 HydrophobicContact CE-CZ 3.91Å
333	V	97.9	Very high	96.8	Very high	10 Å²	10	24.3 Å²	24.3	6%	0.061	12%	0.117	C	C	.	.	H	α-helix	trans	-60.5	-44.5	175.3	171.3	0	0	0	0	111	S329 K331 D335 M336 E337 R417 F418 A421	S329-V333 WeakPolarHBondContact O-CG2 3.08Å; S329-V333 PolarHBondContact O-N 3.46Å; K331-V333 PolarHBondContact O-N 2.86Å; V333-D335 VanDerWaalsContact C-N 3.34Å; V333-D335 PolarHBondContact O-N 2.87Å; V333-M336 PolarHBondContact O-N 3.44Å; V333-E337 WeakPolarHBondContact O-CG 3.32Å; V333-E337 PolarHBondContact O-N 2.89Å; V333-R417 HydrophobicContact CG2-CB 4.49Å; V333-F418 HydrophobicContact CG2-CD1 3.89Å; V333-F418 HydrophobicContact CG2-CD2 4.08Å; V333-F418 HydrophobicContact CG2-CE1 3.99Å; V333-F418 HydrophobicContact CG2-CE2 4.17Å; V333-F418 HydrophobicContact CG2-CG 3.94Å; V333-F418 HydrophobicContact CG2-CZ 4.13Å; V333-A421 HydrophobicContact CG1-CB 3.67Å
334	Y	97.8	Very high	96.8	Very high	24 Å²	24	24.8 Å²	24.8	9%	0.094	12%	0.119	C	C	.	.	H	α-helix	trans	-59	-44	176.1	175.4	-96.5	0	0	0	112.1	S330 K331 M332 M336 E337 K338 P625 L629 Y637	S330-Y334 VanDerWaalsContact O-CB 3.3Å; S330-Y334 WeakPolarHBondContact O-CB 3.32Å; S330-Y334 PolarHBondContact O-N 3.31Å; K331-Y334 HydrophobicContact CD-CD1 4.49Å; K331-Y334 WeakPolarHBondContact O-CB 3.11Å; K331-Y334 PolarHBondContact O-N 2.92Å; M332-Y334 VanDerWaalsContact C-N 3.33Å; M332-Y334 PolarHBondContact O-N 3.44Å; Y334-M336 VanDerWaalsContact C-N 3.35Å; Y334-M336 PolarHBondContact O-N 3.15Å; Y334-E337 PolarHBondContact O-N 3.46Å; Y334-K338 HydrophobicContact CD1-CG 4.46Å; Y334-K338 HydrophobicContact CD2-CG 4.43Å; Y334-K338 HydrophobicContact CE1-CG 4.11Å; Y334-K338 HydrophobicContact CE2-CG 4.07Å; Y334-K338 WeakPolarHBondContact O-CB 3.49Å; Y334-K338 VanDerWaalsContact O-CG 3.32Å; Y334-K338 WeakPolarHBondContact O-CG 3.5Å; Y334-K338 PolarHBondContact O-N 2.87Å; Y334-P625 HydrophobicContact CD1-CB 4.02Å; Y334-P625 HydrophobicContact CD1-CG 3.96Å; Y334-P625 HydrophobicContact CD2-CB 3.91Å; Y334-P625 HydrophobicContact CD2-CG 4.13Å; Y334-P625 HydrophobicContact CE1-CB 4.32Å; Y334-P625 HydrophobicContact CE2-CB 4.22Å; Y334-P625 HydrophobicContact CG-CB 3.81Å; Y334-P625 HydrophobicContact CG-CG 3.62Å; Y334-L629 HydrophobicContact CE2-CD1 4.31Å; Y334-L629 WeakPolarHBondContact OH-CD2 3.5Å; Y334-Y637 HydrophobicContact CD2-CE1 4.48Å; Y334-Y637 WeakPolarHBondContact CD2-OH 3.37Å
335	D	97.8	Very high	96.8	Very high	14 Å²	14	25.5 Å²	25.5	8%	0.075	12%	0.123	C	C	.	.	H	α-helix	trans	-66.9	-35.9	178.5	-68.8	-19	0	0	0	112.3	K331 M332 V333 K338 N339 Q340 F341	K331-D335 WeakPolarHBondContact CE-OD1 3.44Å; K331-D335 WeakPolarHBondContact CE-OD2 3.35Å; K331-D335 IonicContact NZ-OD1 2.76Å; K331-D335 PolarHBondContact NZ-OD1 3.23Å; K331-D335 IonicContact NZ-OD2 3.34Å; K331-D335 PolarHBondContact NZ-OD2 3Å; K331-D335 PolarHBondContact O-N 2.83Å; M332-D335 PolarHBondContact O-N 2.99Å; V333-D335 VanDerWaalsContact C-N 3.34Å; V333-D335 PolarHBondContact O-N 2.87Å; D335-K338 PolarHBondContact O-N 2.87Å; D335-N339 PolarHBondContact O-N 3.25Å; D335-Q340 HydrophobicContact CB-CB 4.31Å; D335-Q340 PolarHBondContact O-N 3.02Å; D335-F341 HydrophobicContact CB-CB 4Å; D335-F341 PolarHBondContact O-N 3.34Å
336	M	97.3	Very high	96.8	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-64.7	-43.2	173.1	-70.1	175.3	173.2	0	0	111.7	I266 M332 V333 Y334 K338 N339 F341 I343 L345 F418	I266-M336 HydrophobicContact CD1-CE 4.31Å; M332-M336 HydrophobicContact CE-CE 3.64Å; M332-M336 HydrophobicContact CG-CE 3.81Å; M332-M336 HydrophobicContact CG-SD 4.41Å; M332-M336 VanDerWaalsContact O-CG 3.31Å; M332-M336 WeakPolarHBondContact O-CG 3.08Å; M332-M336 PolarHBondContact O-N 3.26Å; M332-M336 HydrophobicContact SD-CE 4.08Å; V333-M336 PolarHBondContact O-N 3.44Å; Y334-M336 VanDerWaalsContact C-N 3.35Å; Y334-M336 PolarHBondContact O-N 3.15Å; M336-K338 VanDerWaalsContact C-N 3.3Å; M336-K338 PolarHBondContact O-N 2.92Å; M336-N339 PolarHBondContact O-N 2.92Å; M336-F341 HydrophobicContact CE-CD1 3.57Å; M336-F341 HydrophobicContact CE-CE1 3.55Å; M336-F341 HydrophobicContact CE-CZ 4.47Å; M336-F341 HydrophobicContact CG-CB 3.97Å; M336-F341 HydrophobicContact CG-CD1 3.83Å; M336-F341 HydrophobicContact CG-CG 4.11Å; M336-I343 HydrophobicContact CE-CD1 3.91Å; M336-I343 HydrophobicContact CE-CG1 3.98Å; M336-I343 WeakPolarHBondContact CG-O 3.31Å; M336-L345 HydrophobicContact CB-CD2 3.91Å; M336-L345 HydrophobicContact CB-CG 3.97Å; M336-L345 HydrophobicContact SD-CD2 3.86Å; M336-F418 HydrophobicContact SD-CE1 4.16Å
337	E	96.8	Very high	96.7	Very high	87 Å²	87	29.3 Å²	29.3	41%	0.407	14%	0.144	S	C	.	.	H	α-helix	trans	-65.3	-33	176.4	-73.2	-174.6	146	0	0	112.9	V333 Y334 N339 L345 A421	V333-E337 WeakPolarHBondContact O-CG 3.32Å; V333-E337 PolarHBondContact O-N 2.89Å; Y334-E337 PolarHBondContact O-N 3.46Å; E337-N339 VanDerWaalsContact C-N 3.32Å; E337-L345 HydrophobicContact CG-CD1 3.49Å; E337-L345 VanDerWaalsContact CG-CD1 3.49Å; E337-L345 HydrophobicContact CG-CG 4.33Å; E337-A421 VanDerWaalsContact OE1-CB 3.27Å; E337-A421 WeakPolarHBondContact OE1-CB 3.47Å
338	K	96.2	Very high	96.7	Very high	115 Å²	115	29.5 Å²	29.5	50%	0.5	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	3.4	179.5	-63.9	-60.7	-178	-172.5	0	113.8	Y334 D335 M336 Q340	Y334-K338 HydrophobicContact CD1-CG 4.46Å; Y334-K338 HydrophobicContact CD2-CG 4.43Å; Y334-K338 HydrophobicContact CE1-CG 4.11Å; Y334-K338 HydrophobicContact CE2-CG 4.07Å; Y334-K338 WeakPolarHBondContact O-CB 3.49Å; Y334-K338 VanDerWaalsContact O-CG 3.32Å; Y334-K338 WeakPolarHBondContact O-CG 3.5Å; Y334-K338 PolarHBondContact O-N 2.87Å; D335-K338 PolarHBondContact O-N 2.87Å; M336-K338 VanDerWaalsContact C-N 3.3Å; M336-K338 PolarHBondContact O-N 2.92Å; K338-Q340 HydrophobicContact CB-CG 4Å; K338-Q340 PolarHBondContact O-N 2.96Å
339	N	95.4	Very high	96.7	Very high	87 Å²	87	31.5 Å²	31.5	47%	0.465	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	34.3	-172.8	-61.4	-58.8	0	0	0	112.7	N256 G257 D335 M336 E337	N256-N339 VanDerWaalsContact CB-O 3.24Å; N256-N339 WeakPolarHBondContact CB-O 3.31Å; G257-N339 WeakPolarHBondContact CA-OD1 3.5Å; D335-N339 PolarHBondContact O-N 3.25Å; M336-N339 PolarHBondContact O-N 2.92Å; E337-N339 VanDerWaalsContact C-N 3.32Å
340	Q	95.4	Very high	96.7	Very high	112 Å²	112	31.6 Å²	31.6	52%	0.523	16%	0.155	S	C	.	.			trans	-101.7	-0.6	175.8	-66.8	-174.9	-8.3	0	0	112.5	N256 D335 K338	N256-Q340 PolarHBondContact ND2-O 3.37Å; D335-Q340 HydrophobicContact CB-CB 4.31Å; D335-Q340 PolarHBondContact O-N 3.02Å; K338-Q340 HydrophobicContact CB-CG 4Å; K338-Q340 PolarHBondContact O-N 2.96Å
341	F	95.6	Very high	96.7	Very high	5 Å²	5	31.5 Å²	31.5	2%	0.022	15%	0.154	C	C	.	.	S	Bend	trans	-108.4	155.3	174.2	-161	-107.3	0	0	0	110.9	W245 N256 G257 F315 M332 D335 M336 I343	W245-F341 HydrophobicContact CD2-CZ 4.01Å; W245-F341 AromaticContact CE2-CZ 3.9Å; W245-F341 HydrophobicContact CG-CZ 4.1Å; W245-F341 HydrophobicContact CZ2-CZ 4.43Å; W245-F341 AromaticContact NE1-CE2 3.85Å; W245-F341 AromaticContact NE1-CZ 3.96Å; N256-F341 WeakPolarHBondContact CA-O 3.09Å; N256-F341 WeakPolarHBondContact CB-O 3.32Å; G257-F341 PolarHBondContact N-O 2.61Å; F315-F341 AromaticContact CE1-CE1 3.94Å; F315-F341 HydrophobicContact CE1-CE1 3.94Å; F315-F341 HydrophobicContact CE1-CZ 4.06Å; F315-F341 AromaticContact CZ-CE1 3.63Å; F315-F341 HydrophobicContact CZ-CE1 3.63Å; F315-F341 AromaticContact CZ-CZ 3.83Å; F315-F341 HydrophobicContact CZ-CZ 3.83Å; M332-F341 HydrophobicContact CG-CD2 4.37Å; M332-F341 HydrophobicContact CG-CE1 4.43Å; M332-F341 HydrophobicContact CG-CE2 4.13Å; M332-F341 HydrophobicContact CG-CZ 4.17Å; M332-F341 HydrophobicContact SD-CE1 4.15Å; M332-F341 HydrophobicContact SD-CE2 4.02Å; M332-F341 HydrophobicContact SD-CZ 3.65Å; D335-F341 HydrophobicContact CB-CB 4Å; D335-F341 PolarHBondContact O-N 3.34Å; M336-F341 HydrophobicContact CE-CD1 3.57Å; M336-F341 HydrophobicContact CE-CE1 3.55Å; M336-F341 HydrophobicContact CE-CZ 4.47Å; M336-F341 HydrophobicContact CG-CB 3.97Å; M336-F341 HydrophobicContact CG-CD1 3.83Å; M336-F341 HydrophobicContact CG-CG 4.11Å; F341-I343 HydrophobicContact CD1-CG1 3.65Å; F341-I343 HydrophobicContact CE1-CD1 4.35Å; F341-I343 HydrophobicContact CE1-CG1 3.75Å; F341-I343 PolarHBondContact O-N 3.21Å; F341-I343 VanDerWaalsContact O-N 3.11Å
342	P	94.2	Very high	96.7	Very high	10 Å²	10	31.3 Å²	31.3	7%	0.065	15%	0.153	C	C	.	.	S	Bend	trans	-59.3	-22	-178.7	-31.3	39.4	0	0	0	115.7	W245 I253 K259	W245-P342 HydrophobicContact CH2-CB 4.39Å; W245-P342 HydrophobicContact CH2-CG 3.81Å; W245-P342 HydrophobicContact CZ2-CG 3.92Å; I253-P342 HydrophobicContact CB-CG 4.43Å; K259-P342 WeakPolarHBondContact CE-O 3.13Å
343	I	95.3	Very high	96.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-128.2	153.9	173.4	55.5	167.3	0	0	0	108.9	L251 K259 V264 I266 F315 M336 F341 N347	L251-I343 HydrophobicContact CD1-CG2 4.07Å; K259-I343 HydrophobicContact CD-CG2 4.38Å; V264-I343 HydrophobicContact CB-CD1 4.48Å; V264-I343 HydrophobicContact CG1-CD1 4.25Å; V264-I343 HydrophobicContact CG2-CD1 3.71Å; I266-I343 HydrophobicContact CD1-CD1 4.21Å; F315-I343 HydrophobicContact CD1-CD1 4.47Å; F315-I343 HydrophobicContact CD2-CD1 4.13Å; F315-I343 HydrophobicContact CE1-CD1 4.38Å; F315-I343 HydrophobicContact CE2-CD1 4.02Å; F315-I343 HydrophobicContact CG-CD1 4.36Å; F315-I343 HydrophobicContact CZ-CD1 4.16Å; M336-I343 HydrophobicContact CE-CD1 3.91Å; M336-I343 HydrophobicContact CE-CG1 3.98Å; M336-I343 WeakPolarHBondContact CG-O 3.31Å; F341-I343 HydrophobicContact CD1-CG1 3.65Å; F341-I343 HydrophobicContact CE1-CD1 4.35Å; F341-I343 HydrophobicContact CE1-CG1 3.75Å; F341-I343 PolarHBondContact O-N 3.21Å; F341-I343 VanDerWaalsContact O-N 3.11Å; I343-N347 HydrophobicContact CB-CB 4.3Å
344	D	95.4	Very high	96.8	Very high	13 Å²	13	31.1 Å²	31.1	7%	0.07	15%	0.152	C	C	.	.			trans	-99.8	179.5	173	71.8	4.8	0	0	0	111.9	H258 D346 N347	H258-D344 VanDerWaalsContact CA-OD2 3.32Å; H258-D344 WeakPolarHBondContact CA-OD2 3.48Å; H258-D344 WeakPolarHBondContact CB-OD2 3.43Å; H258-D344 IonicContact CG-OD2 3.98Å; H258-D344 IonicContact ND1-OD1 3.76Å; H258-D344 PolarHBondContact ND1-OD1 3.15Å; H258-D344 VanDerWaalsContact ND1-OD1 3.16Å; H258-D344 IonicContact ND1-OD2 2.81Å; H258-D344 PolarHBondContact ND1-OD2 3.44Å; D344-D346 VanDerWaalsContact C-N 3.29Å; D344-D346 PolarHBondContact O-N 3.15Å; D344-D346 WeakPolarHBondContact OD1-CA 3.4Å; D344-D346 WeakPolarHBondContact OD1-CB 3.33Å; D344-D346 PolarHBondContact OD1-N 2.69Å; D344-N347 PolarHBondContact N-OD1 2.87Å; D344-N347 PolarHBondContact O-N 3.35Å; D344-N347 PolarHBondContact OD1-N 3.45Å; D344-N347 PolarHBondContact OD1-OD1 3.12Å
345	L	96.6	Very high	96.7	Very high	16 Å²	16	30.6 Å²	30.6	8%	0.084	15%	0.154	C	C	.	.	S	Bend	trans	-65.6	-32.4	176.4	-67.8	-179.4	0	0	0	112.1	M336 E337 N347 V348 F418 A421 R422 F424	M336-L345 HydrophobicContact CB-CD2 3.91Å; M336-L345 HydrophobicContact CB-CG 3.97Å; M336-L345 HydrophobicContact SD-CD2 3.86Å; E337-L345 HydrophobicContact CG-CD1 3.49Å; E337-L345 VanDerWaalsContact CG-CD1 3.49Å; E337-L345 HydrophobicContact CG-CG 4.33Å; L345-N347 VanDerWaalsContact C-N 3.28Å; L345-N347 PolarHBondContact O-N 3.09Å; L345-V348 WeakPolarHBondContact O-CB 3.42Å; L345-V348 PolarHBondContact O-N 3.5Å; L345-F418 HydrophobicContact CD2-CD1 4.45Å; L345-A421 HydrophobicContact CD1-CB 3.59Å; L345-R422 VanDerWaalsContact C-CZ 3.49Å; L345-R422 PolarHBondContact O-NH1 3.04Å; L345-R422 PolarHBondContact O-NH2 3.31Å; L345-F424 HydrophobicContact CB-CZ 4.3Å; L345-F424 HydrophobicContact CD2-CE2 4.42Å; L345-F424 HydrophobicContact CD2-CZ 4.15Å
346	D	96.2	Very high	96.7	Very high	109 Å²	109	30.1 Å²	30.1	58%	0.583	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-32.9	-179.6	-75.8	-29.8	0	0	0	112.8	D344 V348 R422	D344-D346 VanDerWaalsContact C-N 3.29Å; D344-D346 PolarHBondContact O-N 3.15Å; D344-D346 WeakPolarHBondContact OD1-CA 3.4Å; D344-D346 WeakPolarHBondContact OD1-CB 3.33Å; D344-D346 PolarHBondContact OD1-N 2.69Å; D346-V348 PolarHBondContact O-N 3.09Å; D346-R422 IonicContact OD1-CZ 2.9Å; D346-R422 IonicContact OD1-NH1 3.76Å; D346-R422 PolarHBondContact OD1-NH1 2.9Å
347	N	96.4	Very high	96.7	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.021	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-21.2	173	-67.3	132.2	0	0	0	113.6	K259 E262 S263 V264 I343 D344 L345 H349	K259-N347 PolarHBondContact N-OD1 2.63Å; K259-N347 PolarHBondContact O-ND2 3.44Å; E262-N347 PolarHBondContact O-ND2 3.43Å; S263-N347 CarbonylContact C-O 3.6Å; S263-N347 WeakPolarHBondContact CA-O 3.49Å; V264-N347 PolarHBondContact N-O 2.88Å; I343-N347 HydrophobicContact CB-CB 4.3Å; D344-N347 PolarHBondContact N-OD1 2.87Å; D344-N347 PolarHBondContact O-N 3.35Å; D344-N347 PolarHBondContact OD1-N 3.45Å; D344-N347 PolarHBondContact OD1-OD1 3.12Å; L345-N347 VanDerWaalsContact C-N 3.28Å; L345-N347 PolarHBondContact O-N 3.09Å; N347-H349 PolarHBondContact O-N 3.27Å
348	V	97.3	Very high	96.4	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.03	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	115.9	-176	178.8	0	0	0	0	111.1	V264 I266 L345 D346 V351 R422 F424	V264-V348 HydrophobicContact CG2-CB 4.28Å; V264-V348 HydrophobicContact CG2-CG2 3.81Å; I266-V348 HydrophobicContact CD1-CG2 4.16Å; I266-V348 HydrophobicContact CG1-CB 4.47Å; I266-V348 HydrophobicContact CG1-CG1 3.78Å; I266-V348 HydrophobicContact CG1-CG2 3.87Å; L345-V348 WeakPolarHBondContact O-CB 3.42Å; L345-V348 PolarHBondContact O-N 3.5Å; D346-V348 PolarHBondContact O-N 3.09Å; V348-V351 HydrophobicContact CG1-CG2 4.09Å; V348-R422 PolarHBondContact O-NH2 2.95Å; V348-F424 HydrophobicContact CB-CD1 4.37Å; V348-F424 HydrophobicContact CB-CE1 3.54Å; V348-F424 HydrophobicContact CB-CZ 3.98Å; V348-F424 HydrophobicContact CG1-CD1 3.88Å; V348-F424 HydrophobicContact CG1-CE1 3.5Å; V348-F424 HydrophobicContact CG1-CZ 4.06Å; V348-F424 WeakPolarHBondContact O-CE1 3.48Å
349	H	97.1	Very high	96	Very high	42 Å²	42	22.4 Å²	22.4	19%	0.194	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-51	177.8	175.2	-84.6	0	0	0	112.6	S263 V264 R312 N347 E382 P425	S263-H349 WeakPolarHBondContact OG-CB 3.06Å; V264-H349 WeakPolarHBondContact O-CB 3.22Å; V264-H349 PolarHBondContact O-N 3.26Å; R312-H349 PolarHBondContact NE-CD2 3.3Å; R312-H349 VanDerWaalsContact NE-CD2 3.26Å; R312-H349 PolarHBondContact NE-CE1 2.82Å; R312-H349 PolarHBondContact NE-NE2 3.47Å; R312-H349 VanDerWaalsContact NE-NE2 3.18Å; R312-H349 PolarHBondContact NH2-NE2 2.74Å; N347-H349 PolarHBondContact O-N 3.27Å; H349-E382 IonicContact CE1-OE2 2.78Å; H349-P425 WeakPolarHBondContact O-CD 3.34Å; H349-P425 WeakPolarHBondContact O-CG 3.42Å
350	S	97.6	Very high	95.1	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.007	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	156.1	-177.7	51.1	0	0	0	0	111.5	I265 I266 P425 Q489	I265-S350 WeakPolarHBondContact CA-O 3.49Å; I266-S350 PolarHBondContact N-O 3.26Å; S350-P425 CarbonylContact C-O 3.35Å; S350-P425 WeakPolarHBondContact CA-O 3.46Å; S350-P425 WeakPolarHBondContact CB-O 3.31Å; S350-Q489 PolarHBondContact OG-NE2 2.88Å
351	V	98.4	Very high	93.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.7	-179.6	-173.6	0	0	0	0	110.3	I266 V348 F415 F424 P425 G426 V427	I266-V351 HydrophobicContact CB-CG1 4.35Å; I266-V351 HydrophobicContact CB-CG2 4.29Å; I266-V351 HydrophobicContact CG2-CG1 4.34Å; I266-V351 CarbonylContact O-C 3.59Å; I266-V351 WeakPolarHBondContact O-CA 3.31Å; V348-V351 HydrophobicContact CG1-CG2 4.09Å; V351-F415 HydrophobicContact CB-CD2 3.59Å; V351-F415 HydrophobicContact CB-CE2 3.64Å; V351-F415 HydrophobicContact CB-CG 4.42Å; V351-F415 HydrophobicContact CB-CZ 4.49Å; V351-F415 HydrophobicContact CG1-CB 4.32Å; V351-F415 HydrophobicContact CG1-CD2 3.58Å; V351-F415 HydrophobicContact CG1-CE2 4.18Å; V351-F415 HydrophobicContact CG1-CG 4.13Å; V351-F415 HydrophobicContact CG2-CD2 3.97Å; V351-F415 HydrophobicContact CG2-CE2 3.87Å; V351-F424 HydrophobicContact CG2-CB 4.35Å; V351-F424 HydrophobicContact CG2-CG 4.49Å; V351-P425 PolarHBondContact N-O 3.37Å; V351-G426 CarbonylContact O-C 3.56Å; V351-G426 WeakPolarHBondContact O-CA 3.15Å; V351-V427 PolarHBondContact O-N 3.08Å; V351-V427 VanDerWaalsContact O-N 3.09Å
352	L	98.6	Very high	92	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.4	169.8	-175.8	70	0	0	0	108.2	I266 V267 S268 L386 L390 V427 I429 V482 L486	I266-L352 PolarHBondContact O-N 2.76Å; V267-L352 CarbonylContact C-O 3.56Å; V267-L352 VanDerWaalsContact CA-O 3.23Å; V267-L352 WeakPolarHBondContact CA-O 3.09Å; V267-L352 HydrophobicContact CG1-CB 4.34Å; V267-L352 HydrophobicContact CG1-CD2 4.32Å; S268-L352 PolarHBondContact N-O 3.47Å; S268-L352 PolarHBondContact OG-O 2.98Å; L352-L386 HydrophobicContact CD1-CD2 4.48Å; L352-L390 HydrophobicContact CD1-CD1 4.3Å; L352-V427 WeakPolarHBondContact CA-O 3.22Å; L352-V427 HydrophobicContact CD1-CB 3.97Å; L352-V427 HydrophobicContact CD1-CG1 4.24Å; L352-I429 HydrophobicContact CD1-CD1 3.92Å; L352-I429 HydrophobicContact CD1-CG1 4.08Å; L352-I429 HydrophobicContact CD2-CD1 4.35Å; L352-I429 HydrophobicContact CG-CD1 4.38Å; L352-V482 HydrophobicContact CD2-CG1 4.14Å; L352-L486 HydrophobicContact CD2-CD2 3.7Å; L352-L486 HydrophobicContact CD2-CG 4.14Å
353	E	98.7	Very high	91.1	Very high	7 Å²	7	23.3 Å²	23.3	3%	0.033	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	139.5	175.5	-175.6	166.3	-167.2	0	0	110.6	S268 S413 S414 F415 V427 V428 I429	S268-E353 WeakPolarHBondContact O-CA 3.44Å; S268-E353 WeakPolarHBondContact OG-CB 3.44Å; S268-E353 WeakPolarHBondContact OG-CG 3.16Å; E353-S413 WeakPolarHBondContact OE2-CB 3.18Å; E353-S413 PolarHBondContact OE2-OG 2.97Å; E353-S414 VanDerWaalsContact CD-N 3.3Å; E353-S414 WeakPolarHBondContact OE1-CB 3.37Å; E353-S414 PolarHBondContact OE1-N 3.19Å; E353-S414 PolarHBondContact OE1-OG 3.07Å; E353-S414 PolarHBondContact OE2-N 3.02Å; E353-S414 PolarHBondContact OE2-OG 2.96Å; E353-F415 VanDerWaalsContact OE2-CB 3.29Å; E353-F415 WeakPolarHBondContact OE2-CB 3.43Å; E353-F415 PolarHBondContact OE2-N 3.3Å; E353-V427 PolarHBondContact N-O 3.18Å; E353-V428 HydrophobicContact CB-CG1 4.2Å; E353-V428 HydrophobicContact CB-CG2 4.24Å; E353-V428 HydrophobicContact CG-CG1 4.34Å; E353-V428 CarbonylContact O-C 3.54Å; E353-V428 WeakPolarHBondContact O-CA 3.46Å; E353-I429 PolarHBondContact O-N 3.11Å
354	I	98.5	Very high	90.9	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	113.5	176.8	-54.4	153.5	0	0	0	106.9	V267 S268 T293 L294 V357 V482	V267-I354 HydrophobicContact CG1-CD1 4.35Å; S268-I354 PolarHBondContact O-N 3.25Å; T293-I354 HydrophobicContact CG2-CG2 4.17Å; L294-I354 HydrophobicContact CB-CD1 3.8Å; L294-I354 HydrophobicContact CD1-CD1 3.87Å; L294-I354 HydrophobicContact CG-CD1 4.3Å; I354-V357 HydrophobicContact CG2-CG1 3.91Å; I354-V357 HydrophobicContact CG2-CG2 3.98Å; I354-V482 HydrophobicContact CD1-CG1 3.96Å; I354-V482 HydrophobicContact CD1-CG2 4.33Å; I354-V482 HydrophobicContact CG1-CG2 4.44Å
355	G	97.1	Very high	90.9	Very high	13 Å²	13	24.6 Å²	24.6	13%	0.134	15%	0.149	C	C	.	.			trans	-95.7	-130.4	177.3	0	0	0	0	0	111.9	G290 V357 I429 E430	G290-G355 VanDerWaalsContact CA-O 3.22Å; G290-G355 WeakPolarHBondContact CA-O 3.03Å; G355-V357 PolarHBondContact O-N 3.44Å; G355-I429 PolarHBondContact N-O 2.92Å; G355-E430 WeakPolarHBondContact CA-OE2 3.19Å
356	Q	96.4	Very high	91	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.019	15%	0.152	C	C	.	.			trans	-76.9	110.4	179	-69.3	175.1	84.8	0	0	109	E285 E430 D431 Y432	E285-Q356 HydrophobicContact CG-CB 4.1Å; E285-Q356 HydrophobicContact CG-CG 4.12Å; E285-Q356 VanDerWaalsContact OE1-CA 3.23Å; E285-Q356 WeakPolarHBondContact OE1-CA 3.02Å; E285-Q356 WeakPolarHBondContact OE1-CB 3.39Å; Q356-E430 PolarHBondContact N-OE2 3.49Å; Q356-E430 CarbonylContact O-C 3.21Å; Q356-E430 WeakPolarHBondContact O-CA 3.3Å; Q356-D431 WeakPolarHBondContact O-CB 3.45Å; Q356-D431 PolarHBondContact O-N 2.86Å; Q356-Y432 HydrophobicContact CB-CE1 4.11Å
357	V	96.6	Very high	91	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.124	C	C	.	.			trans	-130.1	9.9	-176.4	-65.8	0	0	0	0	113.6	E285 S289 T293 I354 G355 Y360 L365 I429 L475	E285-V357 PolarHBondContact OE1-N 3.28Å; S289-V357 PolarHBondContact OG-N 3.3Å; T293-V357 HydrophobicContact CG2-CG2 4.42Å; T293-V357 WeakPolarHBondContact OG1-CG2 3.42Å; I354-V357 HydrophobicContact CG2-CG1 3.91Å; I354-V357 HydrophobicContact CG2-CG2 3.98Å; G355-V357 PolarHBondContact O-N 3.44Å; V357-Y360 WeakPolarHBondContact O-CD1 3.22Å; V357-L365 HydrophobicContact CB-CD2 4.38Å; V357-L365 HydrophobicContact CG1-CD2 4.14Å; V357-I429 HydrophobicContact CG1-CG2 4.06Å; V357-L475 HydrophobicContact CG2-CD2 3.97Å; V357-L475 WeakPolarHBondContact O-CD2 3.36Å
358	G	91.8	Very high	91.1	Very high	4 Å²	4	20.3 Å²	20.3	4%	0.041	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-22.5	-175.5	0	0	0	0	0	114.9	E285	E285-G358 PolarHBondContact OE1-N 3.43Å; E285-G358 WeakPolarHBondContact OE2-CA 3.33Å; E285-G358 PolarHBondContact OE2-N 3.19Å
359	F	86.8	Confident	91.1	Very high	36 Å²	36	21.2 Å²	21.2	16%	0.158	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	5.6	177.4	-62	-70.6	0	0	0	114.8	E285 S361 S362 D431 N438 S450 L451	E285-F359 HydrophobicContact CB-CE2 4.03Å; E285-F359 HydrophobicContact CG-CD2 3.87Å; E285-F359 HydrophobicContact CG-CE2 3.68Å; F359-S361 PolarHBondContact O-N 3.43Å; F359-S362 PolarHBondContact O-N 3.44Å; F359-S362 PolarHBondContact O-OG 3.25Å; F359-D431 WeakPolarHBondContact CA-OD2 3.41Å; F359-D431 WeakPolarHBondContact CB-OD2 3.36Å; F359-D431 PolarHBondContact N-OD2 3.15Å; F359-N438 HydrophobicContact CE2-CB 4.17Å; F359-S450 WeakPolarHBondContact CE1-O 3.36Å; F359-S450 VanDerWaalsContact CZ-O 3.23Å; F359-S450 WeakPolarHBondContact CZ-O 3.48Å; F359-L451 HydrophobicContact CD1-CD2 4.31Å; F359-L451 HydrophobicContact CD2-CD2 4.38Å; F359-L451 HydrophobicContact CE1-CD2 3.94Å; F359-L451 HydrophobicContact CE2-CD2 4.02Å; F359-L451 HydrophobicContact CZ-CD2 3.78Å
360	Y	76.5	Confident	91.1	Very high	10 Å²	10	19.4 Å²	19.4	4%	0.039	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-62.6	-22.7	-172.3	93.3	-86.7	0	0	0	113.8	V357 S362 S363 L365 V399 S474 V478	V357-Y360 WeakPolarHBondContact O-CD1 3.22Å; Y360-S362 PolarHBondContact O-N 3.26Å; Y360-S362 VanDerWaalsContact O-N 3.08Å; Y360-S363 CarbonylContact O-C 3.53Å; Y360-S363 PolarHBondContact O-N 2.94Å; Y360-L365 VanDerWaalsContact CB-CD2 3.43Å; Y360-L365 HydrophobicContact CD2-CG 4.32Å; Y360-L365 HydrophobicContact CG-CD2 3.96Å; Y360-L365 HydrophobicContact CG-CG 4.22Å; Y360-V399 HydrophobicContact CE2-CG2 4.04Å; Y360-S474 WeakPolarHBondContact CE1-O 3.47Å; Y360-S474 VanDerWaalsContact CZ-O 3.29Å; Y360-S474 WeakPolarHBondContact OH-CA 3.47Å; Y360-S474 WeakPolarHBondContact OH-CB 3.45Å; Y360-S474 PolarHBondContact OH-O 2.81Å; Y360-V478 HydrophobicContact CD1-CG2 3.43Å; Y360-V478 VanDerWaalsContact CD1-CG2 3.43Å; Y360-V478 HydrophobicContact CD2-CG2 4.35Å; Y360-V478 HydrophobicContact CE1-CG2 3.17Å; Y360-V478 HydrophobicContact CE2-CG2 4.19Å; Y360-V478 HydrophobicContact CG-CG2 4.01Å
361	S	64.1	Low	91	Very high	84 Å²	84	20.6 Å²	20.6	59%	0.587	13%	0.129	S	C	*	.	G	3₁₀ helix	trans	-58.8	-21.7	174.4	60.3	0	0	0	0	112.7	F359	F359-S361 PolarHBondContact O-N 3.43Å
362	S	62.1	Low	90.9	Very high	96 Å²	96	21.5 Å²	21.5	67%	0.671	13%	0.134	S	C	*	.	G	3₁₀ helix	trans	-99.1	-4.3	175.2	71.6	0	0	0	0	114.1	F359 Y360	F359-S362 PolarHBondContact O-N 3.44Å; F359-S362 PolarHBondContact O-OG 3.25Å; Y360-S362 PolarHBondContact O-N 3.26Å; Y360-S362 VanDerWaalsContact O-N 3.08Å
363	S	76.8	Confident	90.7	Very high	44 Å²	44	21.8 Å²	21.8	31%	0.308	14%	0.136	S	C	.	.	S	Bend	trans	-146.7	-160.1	-171.4	82.9	0	0	0	0	113.1	Y360 D431	Y360-S363 CarbonylContact O-C 3.53Å; Y360-S363 PolarHBondContact O-N 2.94Å; S363-D431 PolarHBondContact OG-O 2.66Å
364	N	90.8	Very high	90.5	Very high	39 Å²	39	23.3 Å²	23.3	21%	0.209	14%	0.144	C	C	.	.			trans	-107.3	154.3	170.3	-58.2	-92.4	0	0	0	107.4	W366 S400 K402	N364-W366 HydrophobicContact CB-CZ2 4.46Å; N364-W366 PolarHBondContact O-NE1 2.97Å; N364-S400 WeakPolarHBondContact CA-O 3.33Å; N364-S400 VanDerWaalsContact OD1-CB 3.29Å; N364-S400 WeakPolarHBondContact OD1-CB 3.4Å; N364-S400 PolarHBondContact OD1-OG 3.16Å; N364-K402 HydrophobicContact CB-CD 4.26Å; N364-K402 HydrophobicContact CB-CG 4.4Å; N364-K402 WeakPolarHBondContact OD1-CE 3.2Å; N364-K402 PolarHBondContact OD1-NZ 3.05Å
365	L	95.9	Very high	90.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	134.8	162	-69.5	-178.8	0	0	0	109.6	V357 Y360 V399 S400 V401 K402 I429 E430 V478 M481	V357-L365 HydrophobicContact CB-CD2 4.38Å; V357-L365 HydrophobicContact CG1-CD2 4.14Å; Y360-L365 VanDerWaalsContact CB-CD2 3.43Å; Y360-L365 HydrophobicContact CD2-CG 4.32Å; Y360-L365 HydrophobicContact CG-CD2 3.96Å; Y360-L365 HydrophobicContact CG-CG 4.22Å; L365-V399 HydrophobicContact CD1-CG1 3.44Å; L365-V399 VanDerWaalsContact CD1-CG1 3.44Å; L365-V399 HydrophobicContact CG-CG1 4.07Å; L365-S400 PolarHBondContact N-O 3.06Å; L365-V401 CarbonylContact O-C 2.93Å; L365-V401 WeakPolarHBondContact O-CA 3.41Å; L365-K402 PolarHBondContact O-N 3.42Å; L365-I429 HydrophobicContact CB-CG2 4.48Å; L365-I429 HydrophobicContact CD1-CG2 4.28Å; L365-I429 HydrophobicContact CD2-CG2 4.29Å; L365-E430 WeakPolarHBondContact CA-O 3.22Å; L365-V478 HydrophobicContact CD1-CB 4.39Å; L365-V478 HydrophobicContact CD1-CG1 3.74Å; L365-V478 HydrophobicContact CD1-CG2 3.93Å; L365-M481 HydrophobicContact CD1-CE 3.67Å; L365-M481 HydrophobicContact CD1-SD 4.22Å
366	W	96.8	Very high	90.2	Very high	36 Å²	36	35.7 Å²	35.7	14%	0.136	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.5	-177.9	-63.4	87.9	0	0	0	110.2	N364 K402 P404 E430 Y432 N433	N364-W366 HydrophobicContact CB-CZ2 4.46Å; N364-W366 PolarHBondContact O-NE1 2.97Å; W366-K402 CarbonylContact C-O 3.55Å; W366-K402 VanDerWaalsContact CA-O 3.29Å; W366-K402 WeakPolarHBondContact CA-O 3.03Å; W366-K402 HydrophobicContact CE3-CB 4.02Å; W366-K402 HydrophobicContact CH2-CB 4.38Å; W366-K402 HydrophobicContact CH2-CD 4.38Å; W366-K402 HydrophobicContact CZ3-CB 3.93Å; W366-P404 HydrophobicContact CE3-CG 4.48Å; W366-E430 PolarHBondContact N-O 2.98Å; W366-E430 PolarHBondContact O-N 2.9Å; W366-Y432 VanDerWaalsContact CB-O 3.29Å; W366-Y432 WeakPolarHBondContact CB-O 3.24Å; W366-N433 HydrophobicContact CD2-CB 3.65Å; W366-N433 HydrophobicContact CE3-CB 3.91Å; W366-N433 HydrophobicContact CG-CB 4.25Å; W366-N433 HydrophobicContact CH2-CB 3.91Å; W366-N433 HydrophobicContact CZ2-CB 3.66Å; W366-N433 HydrophobicContact CZ3-CB 4.03Å; W366-N433 VanDerWaalsContact CZ3-CG 3.48Å
367	L	97.7	Very high	90.2	Very high	1 Å²	1	40 Å²	40	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	106.1	176.5	-55.3	-171.6	0	0	0	108.9	I387 L390 V401 K402 E403 P404 V427 I429	L367-I387 HydrophobicContact CD1-CB 4.35Å; L367-I387 HydrophobicContact CD1-CG1 4.07Å; L367-I387 HydrophobicContact CD1-CG2 4.01Å; L367-L390 HydrophobicContact CD1-CB 4.12Å; L367-L390 HydrophobicContact CD1-CD1 3.81Å; L367-L390 HydrophobicContact CD2-CD1 3.92Å; L367-V401 HydrophobicContact CD1-CG1 3.42Å; L367-V401 VanDerWaalsContact CD1-CG1 3.42Å; L367-V401 HydrophobicContact CD2-CG1 3.74Å; L367-V401 HydrophobicContact CG-CG1 3.43Å; L367-V401 VanDerWaalsContact CG-CG1 3.43Å; L367-K402 PolarHBondContact N-O 2.78Å; L367-E403 HydrophobicContact CB-CG 4.4Å; L367-P404 WeakPolarHBondContact O-CD 3.48Å; L367-V427 HydrophobicContact CB-CG1 3.83Å; L367-V427 HydrophobicContact CD2-CG1 3.96Å; L367-V427 HydrophobicContact CG-CG1 4.33Å; L367-I429 HydrophobicContact CD2-CG1 3.9Å
368	H	97.7	Very high	90.2	Very high	3 Å²	3	43.8 Å²	43.8	1%	0.014	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	135.5	178.1	-62.1	-97.9	0	0	0	110.6	Q408 L410 P411 V427 V428 Y432 N433	H368-Q408 PolarHBondContact CE1-NE2 2.89Å; H368-Q408 PolarHBondContact ND1-NE2 2.92Å; H368-L410 HydrophobicContact CB-CD2 3.91Å; H368-P411 HydrophobicContact CB-CG 4.13Å; H368-V427 CarbonylContact O-C 3.58Å; H368-V427 WeakPolarHBondContact O-CA 3.44Å; H368-V428 HydrophobicContact CB-CB 4.28Å; H368-V428 PolarHBondContact N-O 2.92Å; H368-V428 PolarHBondContact O-N 2.99Å; H368-Y432 PolarHBondContact CE1-O 3.08Å; H368-Y432 PolarHBondContact NE2-O 3.16Å; H368-N433 PolarHBondContact CE1-O 2.79Å; H368-N433 VanDerWaalsContact CE1-O 3.23Å
369	T	97.3	Very high	90.4	Very high	23 Å²	23	44.4 Å²	44.4	14%	0.141	25%	0.252	C	S	.	.			trans	-132.8	150	-178.9	55.5	0	0	0	0	110.2	P371 M374 V383 I387 L410 V427	T369-P371 WeakPolarHBondContact O-CD 3.22Å; T369-M374 HydrophobicContact CG2-SD 4.5Å; T369-M374 PolarHBondContact OG1-SD 3.45Å; T369-V383 HydrophobicContact CG2-CG1 3.49Å; T369-V383 VanDerWaalsContact CG2-CG1 3.49Å; T369-I387 HydrophobicContact CG2-CD1 4Å; T369-L410 VanDerWaalsContact C-CD2 3.48Å; T369-V427 HydrophobicContact CG2-CG2 3.98Å
370	D	97.1	Very high	90.9	Very high	4 Å²	4	46 Å²	46	2%	0.021	26%	0.259	C	S	.	.			trans	-75.2	116	177.6	174.9	36.9	0	0	0	112.6	Y138 Y142 V372 S373 M374 L410 L419	Y138-D370 VanDerWaalsContact CE1-OD1 3.31Å; Y138-D370 WeakPolarHBondContact CE1-OD1 3.38Å; Y138-D370 PolarHBondContact OH-OD1 2.86Å; Y142-D370 PolarHBondContact OH-OD2 2.96Å; D370-V372 PolarHBondContact O-N 3.21Å; D370-V372 PolarHBondContact OD1-N 3.32Å; D370-S373 WeakPolarHBondContact OD2-CB 3.02Å; D370-S373 PolarHBondContact OD2-N 2.93Å; D370-S373 PolarHBondContact OD2-OG 3.48Å; D370-M374 WeakPolarHBondContact O-CB 3.37Å; D370-M374 VanDerWaalsContact O-CG 3.3Å; D370-M374 WeakPolarHBondContact O-CG 3.25Å; D370-M374 PolarHBondContact O-N 3.04Å; D370-M374 VanDerWaalsContact O-N 3.14Å; D370-L410 HydrophobicContact CB-CD1 3.78Å; D370-L410 HydrophobicContact CB-CG 4.07Å; D370-L419 HydrophobicContact CB-CD1 3.78Å
371	P	95.2	Very high	91.9	Very high	27 Å²	27	52.6 Å²	52.6	18%	0.175	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-25.8	179.3	-22.2	34.3	0	0	0	114.4	L146 T369 T407 Q408	L146-P371 HydrophobicContact CD1-CB 4.38Å; L146-P371 HydrophobicContact CD1-CG 4.17Å; T369-P371 WeakPolarHBondContact O-CD 3.22Å; P371-T407 HydrophobicContact CB-CG2 3.61Å; P371-T407 HydrophobicContact CG-CG2 3.67Å; P371-Q408 WeakPolarHBondContact CD-O 3.48Å; P371-Q408 WeakPolarHBondContact CG-O 3.47Å
372	V	95.8	Very high	93.5	Very high	19 Å²	19	50.7 Å²	50.7	12%	0.115	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-48.9	-177.7	-178.5	0	0	0	0	110.1	Y138 Y142 L146 D370 M374 R375	Y138-V372 HydrophobicContact CE1-CG2 4.29Å; Y142-V372 HydrophobicContact CD1-CB 4.03Å; Y142-V372 HydrophobicContact CD1-CG1 3.98Å; Y142-V372 HydrophobicContact CD1-CG2 3.94Å; Y142-V372 HydrophobicContact CD2-CG1 4.32Å; Y142-V372 HydrophobicContact CE1-CB 3.39Å; Y142-V372 HydrophobicContact CE1-CG1 3.55Å; Y142-V372 HydrophobicContact CE1-CG2 3.73Å; Y142-V372 HydrophobicContact CE2-CG1 3.93Å; Y142-V372 HydrophobicContact CG-CG1 4.35Å; L146-V372 HydrophobicContact CD1-CG2 4.29Å; D370-V372 PolarHBondContact O-N 3.21Å; D370-V372 PolarHBondContact OD1-N 3.32Å; V372-M374 VanDerWaalsContact C-N 3.27Å; V372-M374 PolarHBondContact O-N 2.85Å; V372-R375 VanDerWaalsContact O-CB 3.31Å; V372-R375 WeakPolarHBondContact O-CB 3.39Å; V372-R375 WeakPolarHBondContact O-CG 3.36Å; V372-R375 PolarHBondContact O-N 3.36Å; V372-R375 VanDerWaalsContact O-N 3.14Å
373	S	94.8	Very high	95.2	Very high	7 Å²	7	46.3 Å²	46.3	5%	0.049	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-61.3	-34.9	175.2	-64.1	0	0	0	0	112.3	Y142 D370 R375 N376	Y142-S373 PolarHBondContact OH-OG 3.46Å; D370-S373 WeakPolarHBondContact OD2-CB 3.02Å; D370-S373 PolarHBondContact OD2-N 2.93Å; D370-S373 PolarHBondContact OD2-OG 3.48Å; S373-R375 PolarHBondContact O-N 3.42Å; S373-R375 VanDerWaalsContact O-N 3.13Å; S373-N376 WeakPolarHBondContact O-CB 3.49Å; S373-N376 PolarHBondContact O-N 3.08Å; S373-N376 VanDerWaalsContact O-N 3.1Å
374	M	94.3	Very high	96.1	Very high	38 Å²	38	49.2 Å²	49.2	19%	0.187	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-66.2	-8.8	176.1	-76.9	-171.4	71.4	0	0	115.2	T369 D370 V372 N376 Q380 V383	T369-M374 HydrophobicContact CG2-SD 4.5Å; T369-M374 PolarHBondContact OG1-SD 3.45Å; D370-M374 WeakPolarHBondContact O-CB 3.37Å; D370-M374 VanDerWaalsContact O-CG 3.3Å; D370-M374 WeakPolarHBondContact O-CG 3.25Å; D370-M374 PolarHBondContact O-N 3.04Å; D370-M374 VanDerWaalsContact O-N 3.14Å; V372-M374 VanDerWaalsContact C-N 3.27Å; V372-M374 PolarHBondContact O-N 2.85Å; M374-N376 PolarHBondContact O-N 2.96Å; M374-Q380 HydrophobicContact CE-CG 3.99Å; M374-V383 HydrophobicContact SD-CG1 4.42Å
375	R	94.5	Very high	96.4	Very high	194 Å²	194	50.5 Å²	50.5	73%	0.732	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-68.5	-24.9	170.5	-63.2	175	-178.9	168.1	0.5	112.1	V372 S373	V372-R375 VanDerWaalsContact O-CB 3.31Å; V372-R375 WeakPolarHBondContact O-CB 3.39Å; V372-R375 WeakPolarHBondContact O-CG 3.36Å; V372-R375 PolarHBondContact O-N 3.36Å; V372-R375 VanDerWaalsContact O-N 3.14Å; S373-R375 PolarHBondContact O-N 3.42Å; S373-R375 VanDerWaalsContact O-N 3.13Å
376	N	96.1	Very high	96.5	Very high	81 Å²	81	50.7 Å²	50.7	43%	0.433	25%	0.254	S	S	.	.	S	Bend	trans	-80	121.9	173.7	-175.9	-42.1	0	0	0	109.8	S373 M374 S378 I379 Q380	S373-N376 WeakPolarHBondContact O-CB 3.49Å; S373-N376 PolarHBondContact O-N 3.08Å; S373-N376 VanDerWaalsContact O-N 3.1Å; M374-N376 PolarHBondContact O-N 2.96Å; N376-S378 VanDerWaalsContact C-N 3.3Å; N376-S378 PolarHBondContact O-N 3.27Å; N376-S378 WeakPolarHBondContact OD1-CB 3.46Å; N376-S378 PolarHBondContact OD1-N 3.29Å; N376-I379 HydrophobicContact CB-CB 4.2Å; N376-I379 HydrophobicContact CB-CD1 4.02Å; N376-I379 HydrophobicContact CB-CG1 4.14Å; N376-I379 PolarHBondContact O-N 3.29Å; N376-Q380 WeakPolarHBondContact O-CB 3.44Å; N376-Q380 PolarHBondContact O-N 2.96Å
377	S	95.9	Very high	96.5	Very high	94 Å²	94	49.1 Å²	49.1	66%	0.657	25%	0.249	S	C	*	.	H	α-helix	trans	-62.8	-32.1	-175.9	57.5	0	0	0	0	114.1	K381	S377-K381 PolarHBondContact O-N 3.11Å; S377-K381 VanDerWaalsContact O-N 3.15Å
378	S	96.3	Very high	96.5	Very high	79 Å²	79	53.5 Å²	53.5	55%	0.552	27%	0.272	S	S	*	.	H	α-helix	trans	-68.5	-48.8	177.6	-168.8	0	0	0	0	110.6	N376 Q380 K381 E382	N376-S378 VanDerWaalsContact C-N 3.3Å; N376-S378 PolarHBondContact O-N 3.27Å; N376-S378 WeakPolarHBondContact OD1-CB 3.46Å; N376-S378 PolarHBondContact OD1-N 3.29Å; S378-Q380 PolarHBondContact O-N 3.24Å; S378-K381 WeakPolarHBondContact O-CB 3.47Å; S378-K381 PolarHBondContact O-N 3.24Å; S378-E382 PolarHBondContact O-N 3.29Å
379	I	96.6	Very high	96.4	Very high	18 Å²	18	53.9 Å²	53.9	9%	0.092	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-44.4	177.6	-62.8	178.4	0	0	0	110.4	N376 K381 E382 V383 P423 P425	N376-I379 HydrophobicContact CB-CB 4.2Å; N376-I379 HydrophobicContact CB-CD1 4.02Å; N376-I379 HydrophobicContact CB-CG1 4.14Å; N376-I379 PolarHBondContact O-N 3.29Å; I379-K381 PolarHBondContact O-N 3.44Å; I379-E382 PolarHBondContact O-N 3.26Å; I379-E382 VanDerWaalsContact O-N 3.16Å; I379-V383 HydrophobicContact CG2-CG2 4.07Å; I379-V383 WeakPolarHBondContact O-CG2 3.35Å; I379-V383 PolarHBondContact O-N 2.74Å; I379-P423 HydrophobicContact CD1-CB 3.45Å; I379-P423 VanDerWaalsContact CD1-CB 3.45Å; I379-P425 HydrophobicContact CG2-CB 4.12Å
380	Q	97.1	Very high	96.4	Very high	69 Å²	69	52.8 Å²	52.8	32%	0.322	27%	0.268	S	S	.	.	H	α-helix	trans	-57.1	-39.6	177.8	-170.4	-173.3	56.2	0	0	112.1	M374 N376 S378 K384	M374-Q380 HydrophobicContact CE-CG 3.99Å; N376-Q380 WeakPolarHBondContact O-CB 3.44Å; N376-Q380 PolarHBondContact O-N 2.96Å; S378-Q380 PolarHBondContact O-N 3.24Å; Q380-K384 HydrophobicContact CG-CD 4.4Å; Q380-K384 WeakPolarHBondContact O-CB 3.23Å; Q380-K384 WeakPolarHBondContact O-CG 3.48Å; Q380-K384 PolarHBondContact O-N 2.8Å
381	K	97.3	Very high	96.3	Very high	148 Å²	148	55.6 Å²	55.6	64%	0.643	28%	0.283	S	S	*	.	H	α-helix	trans	-64.4	-45.7	177.6	-174.3	-174.4	175.2	-168.1	0	111.4	S377 S378 I379 K384 N385	S377-K381 PolarHBondContact O-N 3.11Å; S377-K381 VanDerWaalsContact O-N 3.15Å; S378-K381 WeakPolarHBondContact O-CB 3.47Å; S378-K381 PolarHBondContact O-N 3.24Å; I379-K381 PolarHBondContact O-N 3.44Å; K381-K384 PolarHBondContact O-N 3.45Å; K381-N385 WeakPolarHBondContact O-CB 3.43Å; K381-N385 PolarHBondContact O-N 3.22Å
382	E	97	Very high	96.3	Very high	45 Å²	45	56.2 Å²	56.2	21%	0.21	29%	0.287	C	S	.	.	H	α-helix	trans	-68.4	-37.6	179	-68.7	-53.5	141.3	0	0	112.7	H349 S378 I379 N385 L386 P425	H349-E382 IonicContact CE1-OE2 2.78Å; S378-E382 PolarHBondContact O-N 3.29Å; I379-E382 PolarHBondContact O-N 3.26Å; I379-E382 VanDerWaalsContact O-N 3.16Å; E382-N385 WeakPolarHBondContact O-CB 3.16Å; E382-N385 PolarHBondContact O-N 3.41Å; E382-L386 PolarHBondContact O-N 3.15Å; E382-P425 HydrophobicContact CB-CB 3.63Å; E382-P425 HydrophobicContact CB-CG 3.94Å
383	V	97.6	Very high	96.2	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.024	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-46.2	173.3	171.3	0	0	0	0	110.8	T369 M374 I379 N385 L386 I387 P425	T369-V383 HydrophobicContact CG2-CG1 3.49Å; T369-V383 VanDerWaalsContact CG2-CG1 3.49Å; M374-V383 HydrophobicContact SD-CG1 4.42Å; I379-V383 HydrophobicContact CG2-CG2 4.07Å; I379-V383 WeakPolarHBondContact O-CG2 3.35Å; I379-V383 PolarHBondContact O-N 2.74Å; V383-N385 VanDerWaalsContact C-N 3.33Å; V383-N385 PolarHBondContact O-N 2.95Å; V383-L386 PolarHBondContact O-N 2.89Å; V383-I387 HydrophobicContact CG1-CD1 3.87Å; V383-I387 WeakPolarHBondContact O-CG1 3.41Å; V383-I387 PolarHBondContact O-N 2.77Å; V383-P425 HydrophobicContact CG2-CB 3.8Å
384	K	97.1	Very high	96.2	Very high	105 Å²	105	55.5 Å²	55.5	46%	0.457	28%	0.284	S	S	.	.	H	α-helix	trans	-61.3	-41.2	176	-76.2	176.9	177.5	175.9	0	112.2	Q380 K381 L386 I387 D388	Q380-K384 HydrophobicContact CG-CD 4.4Å; Q380-K384 WeakPolarHBondContact O-CB 3.23Å; Q380-K384 WeakPolarHBondContact O-CG 3.48Å; Q380-K384 PolarHBondContact O-N 2.8Å; K381-K384 PolarHBondContact O-N 3.45Å; K384-L386 VanDerWaalsContact C-N 3.34Å; K384-L386 PolarHBondContact O-N 2.98Å; K384-I387 PolarHBondContact O-N 3.44Å; K384-D388 WeakPolarHBondContact O-CB 3.32Å; K384-D388 VanDerWaalsContact O-CG 3.26Å; K384-D388 PolarHBondContact O-N 2.77Å
385	N	96.9	Very high	96.1	Very high	66 Å²	66	59 Å²	59	35%	0.353	31%	0.307	S	S	.	.	H	α-helix	trans	-60.6	-42.8	175	-175	30.8	0	0	0	111.8	K381 E382 V383 D388 N389	K381-N385 WeakPolarHBondContact O-CB 3.43Å; K381-N385 PolarHBondContact O-N 3.22Å; E382-N385 WeakPolarHBondContact O-CB 3.16Å; E382-N385 PolarHBondContact O-N 3.41Å; V383-N385 VanDerWaalsContact C-N 3.33Å; V383-N385 PolarHBondContact O-N 2.95Å; N385-D388 PolarHBondContact O-N 2.98Å; N385-N389 WeakPolarHBondContact O-CB 3.05Å; N385-N389 VanDerWaalsContact O-CG 3.24Å; N385-N389 PolarHBondContact O-N 3.41Å; N385-N389 PolarHBondContact O-ND2 2.85Å
386	L	97.3	Very high	95.8	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.016	31%	0.311	C	S	.	.	H	α-helix	trans	-63.7	-42.2	175.8	-179.4	56.7	0	0	0	112.1	L352 E382 V383 K384 N389 L390 V427 Q489	L352-L386 HydrophobicContact CD1-CD2 4.48Å; E382-L386 PolarHBondContact O-N 3.15Å; V383-L386 PolarHBondContact O-N 2.89Å; K384-L386 VanDerWaalsContact C-N 3.34Å; K384-L386 PolarHBondContact O-N 2.98Å; L386-N389 WeakPolarHBondContact O-CB 3.34Å; L386-N389 PolarHBondContact O-N 3.07Å; L386-L390 HydrophobicContact CG-CD1 4.35Å; L386-L390 WeakPolarHBondContact O-CG 3.31Å; L386-L390 PolarHBondContact O-N 3.08Å; L386-V427 HydrophobicContact CD2-CB 4.02Å; L386-V427 HydrophobicContact CD2-CG2 3.73Å; L386-V427 HydrophobicContact CG-CG2 4.04Å; L386-Q489 HydrophobicContact CD1-CG 4.22Å
387	I	97.5	Very high	95.6	Very high	4 Å²	4	51 Å²	51	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-63.1	-44.1	175	-69.1	168	0	0	0	111.1	L367 T369 V383 K384 N389 L390 N391 E403 V427	L367-I387 HydrophobicContact CD1-CB 4.35Å; L367-I387 HydrophobicContact CD1-CG1 4.07Å; L367-I387 HydrophobicContact CD1-CG2 4.01Å; T369-I387 HydrophobicContact CG2-CD1 4Å; V383-I387 HydrophobicContact CG1-CD1 3.87Å; V383-I387 WeakPolarHBondContact O-CG1 3.41Å; V383-I387 PolarHBondContact O-N 2.77Å; K384-I387 PolarHBondContact O-N 3.44Å; I387-N389 VanDerWaalsContact C-N 3.29Å; I387-N389 PolarHBondContact O-N 3.13Å; I387-L390 WeakPolarHBondContact O-CB 3.14Å; I387-L390 PolarHBondContact O-N 2.67Å; I387-N391 WeakPolarHBondContact CG2-ND2 3.16Å; I387-N391 WeakPolarHBondContact O-CB 3.24Å; I387-N391 PolarHBondContact O-N 2.57Å; I387-N391 PolarHBondContact O-ND2 3.5Å; I387-E403 HydrophobicContact CD1-CG 4.34Å; I387-E403 WeakPolarHBondContact CD1-OE2 3.37Å; I387-E403 HydrophobicContact CG2-CG 4.44Å; I387-V427 HydrophobicContact CG1-CG2 4Å
388	D	96.8	Very high	95.3	Very high	93 Å²	93	53.2 Å²	53.2	50%	0.497	30%	0.302	S	S	.	.	H	α-helix	trans	-63	-36.4	176.6	-73.3	-22.6	0	0	0	111.8	K384 N385 S392	K384-D388 WeakPolarHBondContact O-CB 3.32Å; K384-D388 VanDerWaalsContact O-CG 3.26Å; K384-D388 PolarHBondContact O-N 2.77Å; N385-D388 PolarHBondContact O-N 2.98Å; D388-S392 VanDerWaalsContact O-CB 3.27Å; D388-S392 WeakPolarHBondContact O-CB 3.48Å; D388-S392 PolarHBondContact O-N 2.82Å; D388-S392 PolarHBondContact O-OG 2.88Å
389	N	96.6	Very high	95	Very high	11 Å²	11	50.2 Å²	50.2	6%	0.059	28%	0.28	C	S	.	.	H	α-helix	trans	-66	-42	173.5	-74	-26	0	0	0	111.7	N385 L386 I387 S392 A393 L488 Q489	N385-N389 WeakPolarHBondContact O-CB 3.05Å; N385-N389 VanDerWaalsContact O-CG 3.24Å; N385-N389 PolarHBondContact O-N 3.41Å; N385-N389 PolarHBondContact O-ND2 2.85Å; L386-N389 WeakPolarHBondContact O-CB 3.34Å; L386-N389 PolarHBondContact O-N 3.07Å; I387-N389 VanDerWaalsContact C-N 3.29Å; I387-N389 PolarHBondContact O-N 3.13Å; N389-S392 PolarHBondContact O-N 2.87Å; N389-A393 VanDerWaalsContact O-CB 3.22Å; N389-A393 WeakPolarHBondContact O-CB 3.28Å; N389-A393 PolarHBondContact O-N 3.44Å; N389-L488 HydrophobicContact CB-CB 4.27Å; N389-L488 HydrophobicContact CB-CD1 4.37Å; N389-Q489 PolarHBondContact ND2-OE1 3.03Å
390	L	96.6	Very high	94.8	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64	-46.2	174.4	-74.6	161.1	0	0	0	112	L352 L367 L386 I387 S392 A393 A394 V427 I429 M481 A485	L352-L390 HydrophobicContact CD1-CD1 4.3Å; L367-L390 HydrophobicContact CD1-CB 4.12Å; L367-L390 HydrophobicContact CD1-CD1 3.81Å; L367-L390 HydrophobicContact CD2-CD1 3.92Å; L386-L390 HydrophobicContact CG-CD1 4.35Å; L386-L390 WeakPolarHBondContact O-CG 3.31Å; L386-L390 PolarHBondContact O-N 3.08Å; I387-L390 WeakPolarHBondContact O-CB 3.14Å; I387-L390 PolarHBondContact O-N 2.67Å; L390-S392 VanDerWaalsContact C-N 3.35Å; L390-S392 PolarHBondContact O-N 3.06Å; L390-A393 WeakPolarHBondContact O-CB 3.33Å; L390-A393 PolarHBondContact O-N 3.31Å; L390-A394 PolarHBondContact O-N 2.97Å; L390-V427 HydrophobicContact CD1-CB 4.5Å; L390-V427 HydrophobicContact CD1-CG1 4.03Å; L390-I429 HydrophobicContact CD2-CD1 3.97Å; L390-M481 HydrophobicContact CD2-CE 4.18Å; L390-A485 HydrophobicContact CD2-CB 3.53Å; L390-A485 HydrophobicContact CG-CB 3.94Å
391	N	95.6	Very high	94.7	Very high	63 Å²	63	49.6 Å²	49.6	34%	0.337	28%	0.284	S	S	.	.	H	α-helix	trans	-60.6	-44.1	175.4	-77.3	-40	0	0	0	111.6	I387 A393 A394 V395	I387-N391 WeakPolarHBondContact CG2-ND2 3.16Å; I387-N391 WeakPolarHBondContact O-CB 3.24Å; I387-N391 PolarHBondContact O-N 2.57Å; I387-N391 PolarHBondContact O-ND2 3.5Å; N391-A393 VanDerWaalsContact C-N 3.32Å; N391-A393 PolarHBondContact O-N 3.07Å; N391-A394 PolarHBondContact O-N 2.66Å; N391-V395 WeakPolarHBondContact O-CG2 3.41Å; N391-V395 PolarHBondContact O-N 2.83Å
392	S	94.1	Very high	94.6	Very high	39 Å²	39	47.1 Å²	47.1	27%	0.273	27%	0.273	S	S	.	.	H	α-helix	trans	-63.4	-38.6	176.1	-61.4	0	0	0	0	111.9	D388 N389 L390 A394 V395	D388-S392 VanDerWaalsContact O-CB 3.27Å; D388-S392 WeakPolarHBondContact O-CB 3.48Å; D388-S392 PolarHBondContact O-N 2.82Å; D388-S392 PolarHBondContact O-OG 2.88Å; N389-S392 PolarHBondContact O-N 2.87Å; L390-S392 VanDerWaalsContact C-N 3.35Å; L390-S392 PolarHBondContact O-N 3.06Å; S392-A394 VanDerWaalsContact C-N 3.33Å; S392-V395 PolarHBondContact O-N 2.85Å
393	A	95.3	Very high	94.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-69.2	-29.8	179.3	0	0	0	0	0	113.3	N389 L390 N391 V395 L397 M481 R484 A485	N389-A393 VanDerWaalsContact O-CB 3.22Å; N389-A393 WeakPolarHBondContact O-CB 3.28Å; N389-A393 PolarHBondContact O-N 3.44Å; L390-A393 WeakPolarHBondContact O-CB 3.33Å; L390-A393 PolarHBondContact O-N 3.31Å; N391-A393 VanDerWaalsContact C-N 3.32Å; N391-A393 PolarHBondContact O-N 3.07Å; A393-V395 VanDerWaalsContact C-N 3.32Å; A393-L397 WeakPolarHBondContact O-CD1 3.18Å; A393-M481 HydrophobicContact CB-CG 4.09Å; A393-M481 VanDerWaalsContact CB-O 3.31Å; A393-M481 WeakPolarHBondContact CB-O 3.29Å; A393-R484 HydrophobicContact CB-CB 3.63Å; A393-A485 HydrophobicContact CB-CB 3.94Å
394	A	93.9	Very high	94.3	Very high	11 Å²	11	50.8 Å²	50.8	9%	0.091	29%	0.293	C	S	.	.	H	α-helix	trans	-74.5	-19.1	177.1	0	0	0	0	0	113.4	L390 N391 S392 G396 L397 V401 M481	L390-A394 PolarHBondContact O-N 2.97Å; N391-A394 PolarHBondContact O-N 2.66Å; S392-A394 VanDerWaalsContact C-N 3.33Å; A394-G396 PolarHBondContact O-N 3.41Å; A394-L397 WeakPolarHBondContact O-CB 3.48Å; A394-L397 PolarHBondContact O-N 3.31Å; A394-V401 HydrophobicContact CB-CG2 3.75Å; A394-M481 HydrophobicContact CB-CG 4.15Å; A394-M481 HydrophobicContact CB-SD 4.07Å
395	V	91.6	Very high	93.9	Very high	111 Å²	111	49.6 Å²	49.6	67%	0.673	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	124.6	-179.8	179.2	0	0	0	0	110.7	N391 S392 A393 L397	N391-V395 WeakPolarHBondContact O-CG2 3.41Å; N391-V395 PolarHBondContact O-N 2.83Å; S392-V395 PolarHBondContact O-N 2.85Å; A393-V395 VanDerWaalsContact C-N 3.32Å; V395-L397 VanDerWaalsContact C-N 3.28Å
396	G	87.9	Confident	93.6	Very high	80 Å²	80	51.2 Å²	51.2	83%	0.825	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	1.4	-179.6	0	0	0	0	0	114.7	A394	A394-G396 PolarHBondContact O-N 3.41Å
397	L	91.8	Very high	93.2	Very high	27 Å²	27	56.2 Å²	56.2	14%	0.141	35%	0.353	C	S	.	.	S	Bend	trans	-98.2	159	168.1	-58.8	178.7	0	0	0	109.7	A393 A394 V395 V399 E477 T480 M481	A393-L397 WeakPolarHBondContact O-CD1 3.18Å; A394-L397 WeakPolarHBondContact O-CB 3.48Å; A394-L397 PolarHBondContact O-N 3.31Å; V395-L397 VanDerWaalsContact C-N 3.28Å; L397-V399 HydrophobicContact CB-CB 4.38Å; L397-V399 HydrophobicContact CB-CG2 4.16Å; L397-V399 PolarHBondContact O-N 2.79Å; L397-E477 WeakPolarHBondContact CA-OE2 3.3Å; L397-E477 VanDerWaalsContact CB-OE2 3.3Å; L397-E477 WeakPolarHBondContact CB-OE2 3.41Å; L397-E477 VanDerWaalsContact CD2-OE2 3.32Å; L397-E477 WeakPolarHBondContact CD2-OE2 3.49Å; L397-T480 HydrophobicContact CD1-CG2 3.97Å; L397-T480 HydrophobicContact CD2-CG2 3.91Å; L397-M481 HydrophobicContact CD1-CB 3.8Å
398	N	90.3	Very high	93.1	Very high	142 Å²	142	56.6 Å²	56.6	76%	0.759	36%	0.355	S	S	*	.	S	Bend	trans	-83.2	50.8	173.7	-167.7	36.2	0	0	0	111.3	E477	N398-E477 PolarHBondContact N-OE2 2.85Å; N398-E477 VanDerWaalsContact N-OE2 3.16Å
399	V	90.8	Very high	93	Very high	15 Å²	15	52.3 Å²	52.3	9%	0.091	33%	0.332	C	S	.	.			trans	-130.9	122	-175	-177.7	0	0	0	0	109	Y360 L365 L397 V401 E477 M481	Y360-V399 HydrophobicContact CE2-CG2 4.04Å; L365-V399 HydrophobicContact CD1-CG1 3.44Å; L365-V399 VanDerWaalsContact CD1-CG1 3.44Å; L365-V399 HydrophobicContact CG-CG1 4.07Å; L397-V399 HydrophobicContact CB-CB 4.38Å; L397-V399 HydrophobicContact CB-CG2 4.16Å; L397-V399 PolarHBondContact O-N 2.79Å; V399-V401 HydrophobicContact CG1-CG2 4.02Å; V399-E477 HydrophobicContact CG2-CB 3.79Å; V399-M481 HydrophobicContact CG1-SD 3.82Å
400	S	91.4	Very high	92.9	Very high	55 Å²	55	51.9 Å²	51.9	39%	0.385	33%	0.33	S	S	.	.			trans	-102.6	119.9	174.7	176.2	0	0	0	0	109.3	N364 L365	N364-S400 WeakPolarHBondContact CA-O 3.33Å; N364-S400 VanDerWaalsContact OD1-CB 3.29Å; N364-S400 WeakPolarHBondContact OD1-CB 3.4Å; N364-S400 PolarHBondContact OD1-OG 3.16Å; L365-S400 PolarHBondContact N-O 3.06Å
401	V	94.6	Very high	92.9	Very high	19 Å²	19	51.9 Å²	51.9	12%	0.115	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	133.3	-176.1	-175.6	0	0	0	0	109.6	L365 L367 A394 V399 M481	L365-V401 CarbonylContact O-C 2.93Å; L365-V401 WeakPolarHBondContact O-CA 3.41Å; L367-V401 HydrophobicContact CD1-CG1 3.42Å; L367-V401 VanDerWaalsContact CD1-CG1 3.42Å; L367-V401 HydrophobicContact CD2-CG1 3.74Å; L367-V401 HydrophobicContact CG-CG1 3.43Å; L367-V401 VanDerWaalsContact CG-CG1 3.43Å; A394-V401 HydrophobicContact CB-CG2 3.75Å; V399-V401 HydrophobicContact CG1-CG2 4.02Å; V401-M481 HydrophobicContact CG2-SD 3.43Å; V401-M481 WeakPolarHBondContact CG2-SD 3.05Å
402	K	95.3	Very high	92.9	Very high	96 Å²	96	50.1 Å²	50.1	42%	0.417	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	155.3	-179.9	-66.4	-174	-179.5	169.1	0	112	N364 L365 W366 L367	N364-K402 HydrophobicContact CB-CD 4.26Å; N364-K402 HydrophobicContact CB-CG 4.4Å; N364-K402 WeakPolarHBondContact OD1-CE 3.2Å; N364-K402 PolarHBondContact OD1-NZ 3.05Å; L365-K402 PolarHBondContact O-N 3.42Å; W366-K402 CarbonylContact C-O 3.55Å; W366-K402 VanDerWaalsContact CA-O 3.29Å; W366-K402 WeakPolarHBondContact CA-O 3.03Å; W366-K402 HydrophobicContact CE3-CB 4.02Å; W366-K402 HydrophobicContact CH2-CB 4.38Å; W366-K402 HydrophobicContact CH2-CD 4.38Å; W366-K402 HydrophobicContact CZ3-CB 3.93Å; L367-K402 PolarHBondContact N-O 2.78Å
403	E	95.5	Very high	93	Very high	101 Å²	101	48.5 Å²	48.5	47%	0.472	31%	0.31	S	S	.	.			trans	-97.6	147.7	167.7	-66.8	170.7	-99.8	0	0	109.7	L367 I387 G405	L367-E403 HydrophobicContact CB-CG 4.4Å; I387-E403 HydrophobicContact CD1-CG 4.34Å; I387-E403 WeakPolarHBondContact CD1-OE2 3.37Å; I387-E403 HydrophobicContact CG2-CG 4.44Å; E403-G405 PolarHBondContact O-N 3.26Å
404	P	93.8	Very high	93.2	Very high	25 Å²	25	48.5 Å²	48.5	16%	0.162	31%	0.31	C	S	.	.			trans	-54.7	127.5	169.5	-26.2	35	0	0	0	111.5	W366 L367 V406 Q408 N433	W366-P404 HydrophobicContact CE3-CG 4.48Å; L367-P404 WeakPolarHBondContact O-CD 3.48Å; P404-V406 PolarHBondContact O-N 3.24Å; P404-V406 VanDerWaalsContact O-N 3.16Å; P404-Q408 HydrophobicContact CB-CG 4.24Å; P404-N433 WeakPolarHBondContact CB-OD1 3.41Å
405	G	89.2	Confident	93.4	Very high	80 Å²	80	48 Å²	48	83%	0.825	31%	0.306	S	S	*	.	S	Bend	trans	-73.4	-1	-179.6	0	0	0	0	0	114.7	E403	E403-G405 PolarHBondContact O-N 3.26Å
406	V	89.9	Confident	93.7	Very high	101 Å²	101	43.3 Å²	43.3	61%	0.612	28%	0.277	S	S	*	.	S	Bend	trans	-131.4	150	-179.6	-63.8	0	0	0	0	109.9	P404 Q408	P404-V406 PolarHBondContact O-N 3.24Å; P404-V406 VanDerWaalsContact O-N 3.16Å; V406-Q408 PolarHBondContact O-N 3.11Å
407	T	89.9	Confident	94.1	Very high	108 Å²	108	40 Å²	40	66%	0.663	24%	0.239	S	C	*	.			trans	-69.5	119.7	172	-53.9	0	0	0	0	109.8	P371	P371-T407 HydrophobicContact CB-CG2 3.61Å; P371-T407 HydrophobicContact CG-CG2 3.67Å
408	Q	93.7	Very high	94.4	Very high	11 Å²	11	38.7 Å²	38.7	5%	0.051	23%	0.233	C	C	.	.			trans	-143.3	159.8	-178.2	67	178.8	22.6	0	0	110.4	H368 P371 P404 V406 N433	H368-Q408 PolarHBondContact CE1-NE2 2.89Å; H368-Q408 PolarHBondContact ND1-NE2 2.92Å; P371-Q408 WeakPolarHBondContact CD-O 3.48Å; P371-Q408 WeakPolarHBondContact CG-O 3.47Å; P404-Q408 HydrophobicContact CB-CG 4.24Å; V406-Q408 PolarHBondContact O-N 3.11Å; Q408-N433 PolarHBondContact NE2-O 3.27Å; Q408-N433 PolarHBondContact OE1-O 3.04Å
409	P	94.7	Very high	94.7	Very high	4 Å²	4	32.1 Å²	32.1	3%	0.026	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-63.3	162.7	175.4	21.8	-26.1	0	0	0	111.5	Y138 L146 W154	Y138-P409 HydrophobicContact CD2-CB 3.72Å; Y138-P409 HydrophobicContact CE2-CB 3.43Å; Y138-P409 VanDerWaalsContact CE2-CB 3.43Å; Y138-P409 HydrophobicContact CG-CB 4.41Å; L146-P409 HydrophobicContact CB-CB 4.18Å; W154-P409 VanDerWaalsContact CH2-O 3.31Å; W154-P409 WeakPolarHBondContact CH2-O 3.35Å; W154-P409 HydrophobicContact CZ2-CB 4.38Å; W154-P409 HydrophobicContact CZ2-CG 3.95Å; W154-P409 WeakPolarHBondContact CZ2-O 3.32Å
410	L	95.7	Very high	94.9	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-61.5	144.2	161.8	-77	176	0	0	0	111.1	Y138 W154 H368 T369 D370 F415 Q416 L419 V428	Y138-L410 HydrophobicContact CE2-CB 4.02Å; Y138-L410 VanDerWaalsContact CE2-N 3.31Å; Y138-L410 PolarHBondContact OH-N 2.66Å; W154-L410 VanDerWaalsContact CZ2-O 3.32Å; W154-L410 WeakPolarHBondContact CZ2-O 3.48Å; H368-L410 HydrophobicContact CB-CD2 3.91Å; T369-L410 VanDerWaalsContact C-CD2 3.48Å; D370-L410 HydrophobicContact CB-CD1 3.78Å; D370-L410 HydrophobicContact CB-CG 4.07Å; L410-F415 HydrophobicContact CD1-CD1 3.61Å; L410-F415 HydrophobicContact CD1-CE1 3.89Å; L410-Q416 HydrophobicContact CB-CG 4.31Å; L410-Q416 HydrophobicContact CD1-CG 4.42Å; L410-Q416 PolarHBondContact O-NE2 2.57Å; L410-Q416 VanDerWaalsContact O-NE2 3.11Å; L410-L419 HydrophobicContact CD1-CD1 3.56Å; L410-V428 HydrophobicContact CD2-CG2 3.93Å
411	P	95.9	Very high	95.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-59.5	158.8	166.7	27.3	-34.7	0	0	0	111.2	W154 H368 S413 Q416 V428 E430 Y432	W154-P411 HydrophobicContact CD2-CB 4.34Å; W154-P411 HydrophobicContact CE3-CB 4.13Å; W154-P411 HydrophobicContact CH2-CB 4.03Å; W154-P411 VanDerWaalsContact CZ2-CA 3.46Å; W154-P411 HydrophobicContact CZ2-CB 4.21Å; W154-P411 HydrophobicContact CZ3-CB 3.99Å; H368-P411 HydrophobicContact CB-CG 4.13Å; P411-S413 PolarHBondContact O-N 3Å; P411-Q416 PolarHBondContact O-NE2 3.14Å; P411-V428 HydrophobicContact CG-CB 4.22Å; P411-V428 HydrophobicContact CG-CG1 3.95Å; P411-E430 HydrophobicContact CG-CG 3.98Å; P411-Y432 HydrophobicContact CB-CE2 4.17Å; P411-Y432 WeakPolarHBondContact CB-OH 3.48Å
412	P	95.8	Very high	95.1	Very high	27 Å²	27	36.7 Å²	36.7	18%	0.175	21%	0.21	C	C	.	.	S	Bend	trans	-64.7	105.1	179.5	27	-33.6	0	0	0	109.9	P131 Y326 F436	P131-P412 HydrophobicContact CB-CB 4.27Å; P131-P412 HydrophobicContact CB-CG 4.11Å; P131-P412 HydrophobicContact CG-CG 4.29Å; Y326-P412 VanDerWaalsContact OH-C 3.26Å; Y326-P412 WeakPolarHBondContact OH-CA 3.35Å; Y326-P412 WeakPolarHBondContact OH-CB 3.47Å; P412-F436 HydrophobicContact CG-CZ 4.02Å
413	S	97.1	Very high	95	Very high	4 Å²	4	35.5 Å²	35.5	3%	0.028	21%	0.212	C	C	.	.			trans	-146.7	156.5	-170.3	95.1	0	0	0	0	110.9	Y326 E353 P411 F415 Q416 V428	Y326-S413 VanDerWaalsContact CE1-C 3.44Å; Y326-S413 WeakPolarHBondContact CE1-O 3.21Å; Y326-S413 PolarHBondContact OH-N 2.72Å; E353-S413 WeakPolarHBondContact OE2-CB 3.18Å; E353-S413 PolarHBondContact OE2-OG 2.97Å; P411-S413 PolarHBondContact O-N 3Å; S413-F415 PolarHBondContact O-N 3.37Å; S413-F415 PolarHBondContact OG-N 2.81Å; S413-Q416 WeakPolarHBondContact O-CB 3.45Å; S413-Q416 PolarHBondContact O-N 3.45Å; S413-Q416 VanDerWaalsContact O-N 3.1Å; S413-V428 WeakPolarHBondContact OG-CG2 3.34Å
414	S	98	Very high	95.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.7	178.9	63.2	0	0	0	0	112.8	S268 F319 E353 Q416 R417	S268-S414 PolarHBondContact OG-OG 3.29Å; F319-S414 WeakPolarHBondContact CD2-OG 3.46Å; F319-S414 WeakPolarHBondContact CE2-OG 3.23Å; E353-S414 VanDerWaalsContact CD-N 3.3Å; E353-S414 WeakPolarHBondContact OE1-CB 3.37Å; E353-S414 PolarHBondContact OE1-N 3.19Å; E353-S414 PolarHBondContact OE1-OG 3.07Å; E353-S414 PolarHBondContact OE2-N 3.02Å; E353-S414 PolarHBondContact OE2-OG 2.96Å; S414-Q416 PolarHBondContact O-N 3.46Å; S414-R417 WeakPolarHBondContact O-CB 3.35Å; S414-R417 PolarHBondContact O-N 3.12Å
415	F	98.3	Very high	95.2	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-55.7	-32.9	174.4	-177.5	-144.8	0	0	0	112.5	V351 E353 L410 S413 R417 F418 L419 F424 G426 V428	V351-F415 HydrophobicContact CB-CD2 3.59Å; V351-F415 HydrophobicContact CB-CE2 3.64Å; V351-F415 HydrophobicContact CB-CG 4.42Å; V351-F415 HydrophobicContact CB-CZ 4.49Å; V351-F415 HydrophobicContact CG1-CB 4.32Å; V351-F415 HydrophobicContact CG1-CD2 3.58Å; V351-F415 HydrophobicContact CG1-CE2 4.18Å; V351-F415 HydrophobicContact CG1-CG 4.13Å; V351-F415 HydrophobicContact CG2-CD2 3.97Å; V351-F415 HydrophobicContact CG2-CE2 3.87Å; E353-F415 VanDerWaalsContact OE2-CB 3.29Å; E353-F415 WeakPolarHBondContact OE2-CB 3.43Å; E353-F415 PolarHBondContact OE2-N 3.3Å; L410-F415 HydrophobicContact CD1-CD1 3.61Å; L410-F415 HydrophobicContact CD1-CE1 3.89Å; S413-F415 PolarHBondContact O-N 3.37Å; S413-F415 PolarHBondContact OG-N 2.81Å; F415-R417 PolarHBondContact O-N 3.28Å; F415-F418 HydrophobicContact CD2-CB 4.25Å; F415-F418 WeakPolarHBondContact O-CB 3.01Å; F415-F418 PolarHBondContact O-N 2.83Å; F415-F418 VanDerWaalsContact O-N 3.12Å; F415-L419 HydrophobicContact CD1-CD1 4.25Å; F415-L419 HydrophobicContact CD2-CG 4.16Å; F415-L419 HydrophobicContact CE1-CD1 3.99Å; F415-L419 HydrophobicContact CE1-CD2 4.49Å; F415-L419 HydrophobicContact CE1-CG 4.37Å; F415-L419 HydrophobicContact CE2-CD1 4.35Å; F415-L419 HydrophobicContact CE2-CD2 3.78Å; F415-L419 HydrophobicContact CE2-CG 3.83Å; F415-L419 HydrophobicContact CZ-CD1 4.04Å; F415-L419 HydrophobicContact CZ-CD2 3.72Å; F415-L419 HydrophobicContact CZ-CG 3.94Å; F415-L419 WeakPolarHBondContact O-CG 3.3Å; F415-L419 PolarHBondContact O-N 2.73Å; F415-F424 HydrophobicContact CE2-CB 3.95Å; F415-F424 HydrophobicContact CZ-CB 4.45Å; F415-G426 VanDerWaalsContact CZ-CA 3.46Å; F415-V428 HydrophobicContact CB-CG2 4.23Å; F415-V428 HydrophobicContact CD1-CG2 3.95Å
416	Q	97.5	Very high	95.6	Very high	12 Å²	12	26.6 Å²	26.6	6%	0.056	15%	0.148	C	C	.	.	H	α-helix	trans	-60.5	-30.4	174.6	-61.8	-161.5	26.4	0	0	112.8	V137 L410 P411 S413 S414 L419 R420	V137-Q416 HydrophobicContact CB-CB 4.34Å; V137-Q416 HydrophobicContact CG1-CB 4.26Å; V137-Q416 HydrophobicContact CG1-CG 4.3Å; V137-Q416 VanDerWaalsContact N-OE1 3.13Å; L410-Q416 HydrophobicContact CB-CG 4.31Å; L410-Q416 HydrophobicContact CD1-CG 4.42Å; L410-Q416 PolarHBondContact O-NE2 2.57Å; L410-Q416 VanDerWaalsContact O-NE2 3.11Å; P411-Q416 PolarHBondContact O-NE2 3.14Å; S413-Q416 WeakPolarHBondContact O-CB 3.45Å; S413-Q416 PolarHBondContact O-N 3.45Å; S413-Q416 VanDerWaalsContact O-N 3.1Å; S414-Q416 PolarHBondContact O-N 3.46Å; Q416-L419 PolarHBondContact O-N 2.95Å; Q416-R420 PolarHBondContact O-N 3.4Å
417	R	97	Very high	96.1	Very high	10 Å²	10	21.8 Å²	21.8	4%	0.038	12%	0.119	C	C	.	.	H	α-helix	trans	-71.5	-36.2	176	-63.2	-51.3	-59	-167	-6.1	112.7	T135 Y326 S330 V333 S414 F415 L419 R420 E636	T135-R417 PolarHBondContact O-NH1 3.47Å; Y326-R417 VanDerWaalsContact CB-CG 3.42Å; Y326-R417 HydrophobicContact CD1-CG 4.17Å; Y326-R417 HydrophobicContact CD2-CG 4Å; Y326-R417 HydrophobicContact CG-CG 3.62Å; S330-R417 PolarHBondContact OG-NH2 3.26Å; V333-R417 HydrophobicContact CG2-CB 4.49Å; S414-R417 WeakPolarHBondContact O-CB 3.35Å; S414-R417 PolarHBondContact O-N 3.12Å; F415-R417 PolarHBondContact O-N 3.28Å; R417-L419 VanDerWaalsContact C-N 3.35Å; R417-R420 PolarHBondContact O-N 3.03Å; R417-E636 PolarHBondContact NH1-O 3.1Å; R417-E636 PolarHBondContact NH2-O 3.47Å; R417-E636 VanDerWaalsContact NH2-O 3.09Å
418	F	97.6	Very high	96.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.7	-43	171.8	-73.7	-94.2	0	0	0	111.2	I266 F319 M332 V333 M336 L345 F415 R420 A421 R422 F424	I266-F418 HydrophobicContact CG1-CE1 4.4Å; I266-F418 HydrophobicContact CG2-CZ 4.09Å; F319-F418 HydrophobicContact CE2-CE2 4.02Å; F319-F418 AromaticContact CZ-CE2 3.73Å; F319-F418 HydrophobicContact CZ-CE2 3.73Å; F319-F418 AromaticContact CZ-CZ 3.89Å; F319-F418 HydrophobicContact CZ-CZ 3.89Å; M332-F418 HydrophobicContact CE-CZ 3.91Å; V333-F418 HydrophobicContact CG2-CD1 3.89Å; V333-F418 HydrophobicContact CG2-CD2 4.08Å; V333-F418 HydrophobicContact CG2-CE1 3.99Å; V333-F418 HydrophobicContact CG2-CE2 4.17Å; V333-F418 HydrophobicContact CG2-CG 3.94Å; V333-F418 HydrophobicContact CG2-CZ 4.13Å; M336-F418 HydrophobicContact SD-CE1 4.16Å; L345-F418 HydrophobicContact CD2-CD1 4.45Å; F415-F418 HydrophobicContact CD2-CB 4.25Å; F415-F418 WeakPolarHBondContact O-CB 3.01Å; F415-F418 PolarHBondContact O-N 2.83Å; F415-F418 VanDerWaalsContact O-N 3.12Å; F418-R420 PolarHBondContact O-N 3.26Å; F418-A421 PolarHBondContact O-N 3.26Å; F418-A421 VanDerWaalsContact O-N 3.09Å; F418-R422 PolarHBondContact O-N 3.5Å; F418-R422 VanDerWaalsContact O-N 3.15Å; F418-R422 VanDerWaalsContact O-O 3.12Å; F418-F424 HydrophobicContact CB-CD2 3.97Å; F418-F424 HydrophobicContact CB-CE2 4.09Å; F418-F424 HydrophobicContact CD1-CE2 4.28Å
419	L	97.4	Very high	96.7	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-64.1	-26.1	179.5	-67.7	177.3	0	0	0	113.8	V137 D370 L410 F415 Q416 R417 A421 R422 F424	V137-L419 HydrophobicContact CB-CB 4.24Å; V137-L419 HydrophobicContact CG1-CB 4.46Å; V137-L419 HydrophobicContact CG1-CD1 4.42Å; V137-L419 HydrophobicContact CG2-CB 3.85Å; D370-L419 HydrophobicContact CB-CD1 3.78Å; L410-L419 HydrophobicContact CD1-CD1 3.56Å; F415-L419 HydrophobicContact CD1-CD1 4.25Å; F415-L419 HydrophobicContact CD2-CG 4.16Å; F415-L419 HydrophobicContact CE1-CD1 3.99Å; F415-L419 HydrophobicContact CE1-CD2 4.49Å; F415-L419 HydrophobicContact CE1-CG 4.37Å; F415-L419 HydrophobicContact CE2-CD1 4.35Å; F415-L419 HydrophobicContact CE2-CD2 3.78Å; F415-L419 HydrophobicContact CE2-CG 3.83Å; F415-L419 HydrophobicContact CZ-CD1 4.04Å; F415-L419 HydrophobicContact CZ-CD2 3.72Å; F415-L419 HydrophobicContact CZ-CG 3.94Å; F415-L419 WeakPolarHBondContact O-CG 3.3Å; F415-L419 PolarHBondContact O-N 2.73Å; Q416-L419 PolarHBondContact O-N 2.95Å; R417-L419 VanDerWaalsContact C-N 3.35Å; L419-A421 VanDerWaalsContact C-N 3.35Å; L419-R422 WeakPolarHBondContact CA-O 3.32Å; L419-F424 HydrophobicContact CD2-CB 4.32Å
420	R	95.5	Very high	96.8	Very high	88 Å²	88	16.2 Å²	16.2	33%	0.332	9%	0.085	S	C	.	.	H	α-helix	trans	-67.5	-33.3	173.1	-78.4	-171.2	62.2	163.8	-3.4	113.3	V137 Q416 R417 F418 E636	V137-R420 HydrophobicContact CB-CG 4.03Å; V137-R420 HydrophobicContact CG2-CG 4.01Å; Q416-R420 PolarHBondContact O-N 3.4Å; R417-R420 PolarHBondContact O-N 3.03Å; F418-R420 PolarHBondContact O-N 3.26Å; R420-E636 PolarHBondContact NH1-O 2.89Å; R420-E636 IonicContact NH2-OE1 3.25Å
421	A	94.9	Very high	96.8	Very high	33 Å²	33	16.2 Å²	16.2	27%	0.273	9%	0.085	S	C	.	.	H	α-helix	trans	-76.9	-48.7	176.2	0	0	0	0	0	110.8	V333 E337 L345 F418 L419	V333-A421 HydrophobicContact CG1-CB 3.67Å; E337-A421 VanDerWaalsContact OE1-CB 3.27Å; E337-A421 WeakPolarHBondContact OE1-CB 3.47Å; L345-A421 HydrophobicContact CD1-CB 3.59Å; F418-A421 PolarHBondContact O-N 3.26Å; F418-A421 VanDerWaalsContact O-N 3.09Å; L419-A421 VanDerWaalsContact C-N 3.35Å
422	R	93.6	Very high	96.8	Very high	64 Å²	64	16.5 Å²	16.5	24%	0.242	9%	0.086	C	C	.	.	S	Bend	trans	-161.6	159.9	174.8	68.5	-173.6	-152.5	172.2	6.9	112.9	L345 D346 V348 F418 L419 F424	L345-R422 VanDerWaalsContact C-CZ 3.49Å; L345-R422 PolarHBondContact O-NH1 3.04Å; L345-R422 PolarHBondContact O-NH2 3.31Å; D346-R422 IonicContact OD1-CZ 2.9Å; D346-R422 IonicContact OD1-NH1 3.76Å; D346-R422 PolarHBondContact OD1-NH1 2.9Å; V348-R422 PolarHBondContact O-NH2 2.95Å; F418-R422 PolarHBondContact O-N 3.5Å; F418-R422 VanDerWaalsContact O-N 3.15Å; F418-R422 VanDerWaalsContact O-O 3.12Å; L419-R422 WeakPolarHBondContact CA-O 3.32Å; R422-F424 HydrophobicContact CG-CD2 3.82Å; R422-F424 HydrophobicContact CG-CE1 4.15Å; R422-F424 HydrophobicContact CG-CE2 3.26Å; R422-F424 HydrophobicContact CG-CG 4.48Å; R422-F424 HydrophobicContact CG-CZ 3.49Å; R422-F424 VanDerWaalsContact CG-CZ 3.49Å; R422-F424 VanDerWaalsContact NH2-CE1 3.35Å; R422-F424 WeakPolarHBondContact O-CD2 3.49Å; R422-F424 PolarHBondContact O-N 3.07Å
423	P	94.8	Very high	96.7	Very high	72 Å²	72	17.7 Å²	17.7	47%	0.468	9%	0.091	S	C	.	.			trans	-65.2	130.5	174.1	-21.1	34.2	0	0	0	112.3	I379	I379-P423 HydrophobicContact CD1-CB 3.45Å; I379-P423 VanDerWaalsContact CD1-CB 3.45Å
424	F	96	Very high	96.4	Very high	4 Å²	4	20 Å²	20	2%	0.018	11%	0.107	C	C	.	.			trans	-130.2	147.5	177.8	-75.6	-75.2	0	0	0	110.8	L345 V348 V351 F415 F418 L419 R422 G426	L345-F424 HydrophobicContact CB-CZ 4.3Å; L345-F424 HydrophobicContact CD2-CE2 4.42Å; L345-F424 HydrophobicContact CD2-CZ 4.15Å; V348-F424 HydrophobicContact CB-CD1 4.37Å; V348-F424 HydrophobicContact CB-CE1 3.54Å; V348-F424 HydrophobicContact CB-CZ 3.98Å; V348-F424 HydrophobicContact CG1-CD1 3.88Å; V348-F424 HydrophobicContact CG1-CE1 3.5Å; V348-F424 HydrophobicContact CG1-CZ 4.06Å; V348-F424 WeakPolarHBondContact O-CE1 3.48Å; V351-F424 HydrophobicContact CG2-CB 4.35Å; V351-F424 HydrophobicContact CG2-CG 4.49Å; F415-F424 HydrophobicContact CE2-CB 3.95Å; F415-F424 HydrophobicContact CZ-CB 4.45Å; F418-F424 HydrophobicContact CB-CD2 3.97Å; F418-F424 HydrophobicContact CB-CE2 4.09Å; F418-F424 HydrophobicContact CD1-CE2 4.28Å; L419-F424 HydrophobicContact CD2-CB 4.32Å; R422-F424 HydrophobicContact CG-CD2 3.82Å; R422-F424 HydrophobicContact CG-CE1 4.15Å; R422-F424 HydrophobicContact CG-CE2 3.26Å; R422-F424 HydrophobicContact CG-CG 4.48Å; R422-F424 HydrophobicContact CG-CZ 3.49Å; R422-F424 VanDerWaalsContact CG-CZ 3.49Å; R422-F424 VanDerWaalsContact NH2-CE1 3.35Å; R422-F424 WeakPolarHBondContact O-CD2 3.49Å; R422-F424 PolarHBondContact O-N 3.07Å; F424-G426 PolarHBondContact O-N 3.5Å
425	P	97.7	Very high	96.2	Very high	14 Å²	14	22.5 Å²	22.5	9%	0.091	13%	0.125	C	C	.	.			trans	-72.4	125.2	165.1	30.6	-30.6	0	0	0	109.2	H349 S350 V351 I379 E382 V383	H349-P425 WeakPolarHBondContact O-CD 3.34Å; H349-P425 WeakPolarHBondContact O-CG 3.42Å; S350-P425 CarbonylContact C-O 3.35Å; S350-P425 WeakPolarHBondContact CA-O 3.46Å; S350-P425 WeakPolarHBondContact CB-O 3.31Å; V351-P425 PolarHBondContact N-O 3.37Å; I379-P425 HydrophobicContact CG2-CB 4.12Å; E382-P425 HydrophobicContact CB-CB 3.63Å; E382-P425 HydrophobicContact CB-CG 3.94Å; V383-P425 HydrophobicContact CG2-CB 3.8Å
426	G	97.6	Very high	96.1	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.01	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	164.9	176.8	0	0	0	0	0	114.6	V351 F415 F424	V351-G426 CarbonylContact O-C 3.56Å; V351-G426 WeakPolarHBondContact O-CA 3.15Å; F415-G426 VanDerWaalsContact CZ-CA 3.46Å; F424-G426 PolarHBondContact O-N 3.5Å
427	V	98.5	Very high	95.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	138.3	-175.8	172.9	0	0	0	0	108.4	V351 L352 E353 L367 H368 T369 L386 I387 L390 I429	V351-V427 PolarHBondContact O-N 3.08Å; V351-V427 VanDerWaalsContact O-N 3.09Å; L352-V427 WeakPolarHBondContact CA-O 3.22Å; L352-V427 HydrophobicContact CD1-CB 3.97Å; L352-V427 HydrophobicContact CD1-CG1 4.24Å; E353-V427 PolarHBondContact N-O 3.18Å; L367-V427 HydrophobicContact CB-CG1 3.83Å; L367-V427 HydrophobicContact CD2-CG1 3.96Å; L367-V427 HydrophobicContact CG-CG1 4.33Å; H368-V427 CarbonylContact O-C 3.58Å; H368-V427 WeakPolarHBondContact O-CA 3.44Å; T369-V427 HydrophobicContact CG2-CG2 3.98Å; L386-V427 HydrophobicContact CD2-CB 4.02Å; L386-V427 HydrophobicContact CD2-CG2 3.73Å; L386-V427 HydrophobicContact CG-CG2 4.04Å; I387-V427 HydrophobicContact CG1-CG2 4Å; L390-V427 HydrophobicContact CD1-CB 4.5Å; L390-V427 HydrophobicContact CD1-CG1 4.03Å; V427-I429 HydrophobicContact CG1-CG1 4.43Å
428	V	98.6	Very high	95.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124.8	169.5	-171.3	0	0	0	0	108.3	E353 H368 L410 P411 S413 F415 E430	E353-V428 HydrophobicContact CB-CG1 4.2Å; E353-V428 HydrophobicContact CB-CG2 4.24Å; E353-V428 HydrophobicContact CG-CG1 4.34Å; E353-V428 CarbonylContact O-C 3.54Å; E353-V428 WeakPolarHBondContact O-CA 3.46Å; H368-V428 HydrophobicContact CB-CB 4.28Å; H368-V428 PolarHBondContact N-O 2.92Å; H368-V428 PolarHBondContact O-N 2.99Å; L410-V428 HydrophobicContact CD2-CG2 3.93Å; P411-V428 HydrophobicContact CG-CB 4.22Å; P411-V428 HydrophobicContact CG-CG1 3.95Å; S413-V428 WeakPolarHBondContact OG-CG2 3.34Å; F415-V428 HydrophobicContact CB-CG2 4.23Å; F415-V428 HydrophobicContact CD1-CG2 3.95Å; V428-E430 HydrophobicContact CG1-CG 4.1Å; V428-E430 WeakPolarHBondContact CG1-OE1 3.3Å
429	I	98.3	Very high	95.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	124.6	179	-55.6	174.7	0	0	0	108.7	L352 E353 G355 V357 L365 L367 L390 V427 M481 V482	L352-I429 HydrophobicContact CD1-CD1 3.92Å; L352-I429 HydrophobicContact CD1-CG1 4.08Å; L352-I429 HydrophobicContact CD2-CD1 4.35Å; L352-I429 HydrophobicContact CG-CD1 4.38Å; E353-I429 PolarHBondContact O-N 3.11Å; G355-I429 PolarHBondContact N-O 2.92Å; V357-I429 HydrophobicContact CG1-CG2 4.06Å; L365-I429 HydrophobicContact CB-CG2 4.48Å; L365-I429 HydrophobicContact CD1-CG2 4.28Å; L365-I429 HydrophobicContact CD2-CG2 4.29Å; L367-I429 HydrophobicContact CD2-CG1 3.9Å; L390-I429 HydrophobicContact CD2-CD1 3.97Å; V427-I429 HydrophobicContact CG1-CG1 4.43Å; I429-M481 HydrophobicContact CD1-CE 4.17Å; I429-V482 HydrophobicContact CD1-CG2 3.79Å
430	E	97.4	Very high	95.7	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.028	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	160.7	-179.9	-59.3	-72.3	-176.2	0	0	110.6	G355 Q356 L365 W366 P411 V428 Y432	G355-E430 WeakPolarHBondContact CA-OE2 3.19Å; Q356-E430 PolarHBondContact N-OE2 3.49Å; Q356-E430 CarbonylContact O-C 3.21Å; Q356-E430 WeakPolarHBondContact O-CA 3.3Å; L365-E430 WeakPolarHBondContact CA-O 3.22Å; W366-E430 PolarHBondContact N-O 2.98Å; W366-E430 PolarHBondContact O-N 2.9Å; P411-E430 HydrophobicContact CG-CG 3.98Å; V428-E430 HydrophobicContact CG1-CG 4.1Å; V428-E430 WeakPolarHBondContact CG1-OE1 3.3Å; E430-Y432 VanDerWaalsContact C-N 3.31Å; E430-Y432 HydrophobicContact CB-CD1 3.93Å; E430-Y432 HydrophobicContact CB-CE1 3.65Å; E430-Y432 HydrophobicContact CB-CE2 4.28Å; E430-Y432 HydrophobicContact CB-CG 4.35Å; E430-Y432 HydrophobicContact CG-CE1 3.84Å; E430-Y432 HydrophobicContact CG-CE2 4.24Å; E430-Y432 WeakPolarHBondContact CG-OH 3.12Å; E430-Y432 PolarHBondContact OE1-OH 3.42Å; E430-Y432 VanDerWaalsContact OE1-OH 3.09Å; E430-Y432 WeakPolarHBondContact OE2-CE1 3.31Å; E430-Y432 PolarHBondContact OE2-OH 2.75Å
431	D	95.7	Very high	95.8	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	15%	0.15	C	C	.	.	S	Bend	trans	-87.3	-0.3	174.3	71.6	18.2	0	0	0	114	Q356 F359 S363 S437	Q356-D431 WeakPolarHBondContact O-CB 3.45Å; Q356-D431 PolarHBondContact O-N 2.86Å; F359-D431 WeakPolarHBondContact CA-OD2 3.41Å; F359-D431 WeakPolarHBondContact CB-OD2 3.36Å; F359-D431 PolarHBondContact N-OD2 3.15Å; S363-D431 PolarHBondContact OG-O 2.66Å; D431-S437 VanDerWaalsContact OD1-CB 3.26Å; D431-S437 WeakPolarHBondContact OD1-CB 3.32Å; D431-S437 PolarHBondContact OD1-OG 2.93Å
432	Y	94.7	Very high	95.9	Very high	6 Å²	6	25 Å²	25	2%	0.024	14%	0.137	C	C	.	.			trans	-124.4	147.5	-176.4	60.1	-91.8	0	0	0	113.3	W154 Q356 W366 H368 P411 E430 S435 F436	W154-Y432 HydrophobicContact CE3-CD2 4.25Å; W154-Y432 AromaticContact CE3-CE2 3.56Å; W154-Y432 HydrophobicContact CE3-CE2 3.56Å; W154-Y432 HydrophobicContact CZ3-CD2 4.21Å; W154-Y432 AromaticContact CZ3-CE2 3.62Å; W154-Y432 HydrophobicContact CZ3-CE2 3.62Å; Q356-Y432 HydrophobicContact CB-CE1 4.11Å; W366-Y432 VanDerWaalsContact CB-O 3.29Å; W366-Y432 WeakPolarHBondContact CB-O 3.24Å; H368-Y432 PolarHBondContact CE1-O 3.08Å; H368-Y432 PolarHBondContact NE2-O 3.16Å; P411-Y432 HydrophobicContact CB-CE2 4.17Å; P411-Y432 WeakPolarHBondContact CB-OH 3.48Å; E430-Y432 VanDerWaalsContact C-N 3.31Å; E430-Y432 HydrophobicContact CB-CD1 3.93Å; E430-Y432 HydrophobicContact CB-CE1 3.65Å; E430-Y432 HydrophobicContact CB-CE2 4.28Å; E430-Y432 HydrophobicContact CB-CG 4.35Å; E430-Y432 HydrophobicContact CG-CE1 3.84Å; E430-Y432 HydrophobicContact CG-CE2 4.24Å; E430-Y432 WeakPolarHBondContact CG-OH 3.12Å; E430-Y432 PolarHBondContact OE1-OH 3.42Å; E430-Y432 VanDerWaalsContact OE1-OH 3.09Å; E430-Y432 WeakPolarHBondContact OE2-CE1 3.31Å; E430-Y432 PolarHBondContact OE2-OH 2.75Å; Y432-S435 WeakPolarHBondContact CB-O 3.45Å; Y432-F436 HydrophobicContact CD1-CD1 4.02Å; Y432-F436 HydrophobicContact CD2-CD1 4.19Å; Y432-F436 AromaticContact CE1-CD1 3.55Å; Y432-F436 HydrophobicContact CE1-CD1 3.55Å; Y432-F436 HydrophobicContact CE1-CE1 4.01Å; Y432-F436 AromaticContact CE2-CD1 3.75Å; Y432-F436 HydrophobicContact CE2-CD1 3.75Å; Y432-F436 AromaticContact CE2-CE1 3.97Å; Y432-F436 HydrophobicContact CE2-CE1 3.97Å; Y432-F436 HydrophobicContact CG-CD1 4.34Å; Y432-F436 AromaticContact CZ-CD1 3.43Å; Y432-F436 VanDerWaalsContact CZ-CD1 3.43Å; Y432-F436 AromaticContact CZ-CE1 3.52Å; Y432-F436 WeakPolarHBondContact OH-CE1 3.41Å
433	N	93.8	Very high	96	Very high	51 Å²	51	22 Å²	22	27%	0.273	13%	0.126	S	C	.	.	S	Bend	trans	-81.2	-45.5	176.4	-171.1	6.8	0	0	0	112.5	W366 H368 P404 Q408	W366-N433 HydrophobicContact CD2-CB 3.65Å; W366-N433 HydrophobicContact CE3-CB 3.91Å; W366-N433 HydrophobicContact CG-CB 4.25Å; W366-N433 HydrophobicContact CH2-CB 3.91Å; W366-N433 HydrophobicContact CZ2-CB 3.66Å; W366-N433 HydrophobicContact CZ3-CB 4.03Å; W366-N433 VanDerWaalsContact CZ3-CG 3.48Å; H368-N433 PolarHBondContact CE1-O 2.79Å; H368-N433 VanDerWaalsContact CE1-O 3.23Å; P404-N433 WeakPolarHBondContact CB-OD1 3.41Å; Q408-N433 PolarHBondContact NE2-O 3.27Å; Q408-N433 PolarHBondContact OE1-O 3.04Å
434	S	91.6	Very high	96	Very high	53 Å²	53	19 Å²	19	37%	0.371	11%	0.106	S	C	.	.	S	Bend	trans	-140	-50.6	-171.8	54.1	0	0	0	0	113.6	T152 W154	T152-S434 VanDerWaalsContact CG2-O 3.22Å; T152-S434 WeakPolarHBondContact CG2-O 3.34Å; W154-S434 VanDerWaalsContact CZ3-O 3.23Å; W154-S434 WeakPolarHBondContact CZ3-O 3.38Å
435	S	94.7	Very high	95.9	Very high	52 Å²	52	19 Å²	19	36%	0.364	11%	0.106	S	C	.	.	S	Bend	trans	-108.5	145.9	171.5	57.5	0	0	0	0	110.5	W154 Y432 S437	W154-S435 CarbonylContact O-C 3.32Å; W154-S435 WeakPolarHBondContact O-CA 3.42Å; Y432-S435 WeakPolarHBondContact CB-O 3.45Å; S435-S437 PolarHBondContact O-N 3.48Å
436	F	95.1	Very high	95.8	Very high	15 Å²	15	18.3 Å²	18.3	7%	0.066	10%	0.101	C	C	.	.			trans	-50.7	137	179	-58.5	-25.8	0	0	0	112.4	P131 W154 N155 P412 Y432 N438 F441	P131-F436 HydrophobicContact CG-CE2 4.19Å; P131-F436 HydrophobicContact CG-CZ 4.3Å; W154-F436 HydrophobicContact CB-CD1 4.28Å; W154-F436 HydrophobicContact CB-CE1 3.64Å; W154-F436 HydrophobicContact CB-CE2 4.2Å; W154-F436 HydrophobicContact CB-CZ 3.6Å; W154-F436 HydrophobicContact CG-CE1 4.4Å; W154-F436 WeakPolarHBondContact O-CD2 3.44Å; W154-F436 VanDerWaalsContact O-CG 3.25Å; W154-F436 WeakPolarHBondContact O-CG 3.43Å; W154-F436 PolarHBondContact O-N 2.96Å; N155-F436 HydrophobicContact CB-CD2 3.79Å; N155-F436 HydrophobicContact CB-CE2 3.72Å; P412-F436 HydrophobicContact CG-CZ 4.02Å; Y432-F436 HydrophobicContact CD1-CD1 4.02Å; Y432-F436 HydrophobicContact CD2-CD1 4.19Å; Y432-F436 AromaticContact CE1-CD1 3.55Å; Y432-F436 HydrophobicContact CE1-CD1 3.55Å; Y432-F436 HydrophobicContact CE1-CE1 4.01Å; Y432-F436 AromaticContact CE2-CD1 3.75Å; Y432-F436 HydrophobicContact CE2-CD1 3.75Å; Y432-F436 AromaticContact CE2-CE1 3.97Å; Y432-F436 HydrophobicContact CE2-CE1 3.97Å; Y432-F436 HydrophobicContact CG-CD1 4.34Å; Y432-F436 AromaticContact CZ-CD1 3.43Å; Y432-F436 VanDerWaalsContact CZ-CD1 3.43Å; Y432-F436 AromaticContact CZ-CE1 3.52Å; Y432-F436 WeakPolarHBondContact OH-CE1 3.41Å; F436-N438 VanDerWaalsContact C-N 3.26Å; F436-F441 HydrophobicContact CD2-CB 4.05Å; F436-F441 HydrophobicContact CD2-CD1 4.22Å; F436-F441 AromaticContact CD2-CD2 3.72Å; F436-F441 HydrophobicContact CD2-CD2 3.72Å; F436-F441 HydrophobicContact CD2-CE2 4.19Å; F436-F441 AromaticContact CD2-CG 3.73Å; F436-F441 HydrophobicContact CD2-CG 3.73Å; F436-F441 HydrophobicContact CE2-CB 4.45Å; F436-F441 AromaticContact CE2-CD1 3.79Å; F436-F441 HydrophobicContact CE2-CD1 3.79Å; F436-F441 AromaticContact CE2-CD2 3.54Å; F436-F441 HydrophobicContact CE2-CD2 3.54Å; F436-F441 AromaticContact CE2-CE1 3.8Å; F436-F441 HydrophobicContact CE2-CE1 3.8Å; F436-F441 AromaticContact CE2-CE2 3.55Å; F436-F441 HydrophobicContact CE2-CE2 3.55Å; F436-F441 AromaticContact CE2-CG 3.66Å; F436-F441 HydrophobicContact CE2-CG 3.66Å; F436-F441 AromaticContact CE2-CZ 3.69Å; F436-F441 HydrophobicContact CE2-CZ 3.69Å; F436-F441 HydrophobicContact CZ-CD2 4.37Å; F436-F441 AromaticContact CZ-CE2 4Å; F436-F441 HydrophobicContact CZ-CE2 4Å; F436-F441 HydrophobicContact CZ-CZ 4.12Å
437	S	94.4	Very high	95.7	Very high	45 Å²	45	19.5 Å²	19.5	32%	0.315	11%	0.107	S	C	.	.	S	Bend	trans	-68.7	-31.9	167.1	-50	0	0	0	0	110.7	D431 S435 K439	D431-S437 VanDerWaalsContact OD1-CB 3.26Å; D431-S437 WeakPolarHBondContact OD1-CB 3.32Å; D431-S437 PolarHBondContact OD1-OG 2.93Å; S435-S437 PolarHBondContact O-N 3.48Å; S437-K439 PolarHBondContact O-N 3.26Å
438	N	95.3	Very high	95.5	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.016	11%	0.11	C	C	.	.			trans	-68.8	110.8	178.3	-172.8	-2.6	0	0	0	112.3	E285 F359 F436 Y440 F441 D446	E285-N438 HydrophobicContact CB-CB 4.4Å; E285-N438 HydrophobicContact CG-CB 3.97Å; F359-N438 HydrophobicContact CE2-CB 4.17Å; F436-N438 VanDerWaalsContact C-N 3.26Å; N438-Y440 VanDerWaalsContact C-N 3.26Å; N438-Y440 PolarHBondContact O-N 3.27Å; N438-Y440 WeakPolarHBondContact OD1-CA 3.45Å; N438-Y440 PolarHBondContact OD1-N 3.42Å; N438-F441 PolarHBondContact OD1-N 3.47Å; N438-D446 PolarHBondContact ND2-OD2 3.01Å
439	K	95.6	Very high	95.2	Very high	106 Å²	106	23.8 Å²	23.8	46%	0.461	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-12.4	176.3	-63.7	-176.7	179.9	-179.6	0	114.2	P121 F124 L157 S437	P121-K439 PolarHBondContact O-NZ 3.2Å; F124-K439 PolarHBondContact N-O 3.26Å; F124-K439 VanDerWaalsContact N-O 3.15Å; L157-K439 HydrophobicContact CD1-CB 3.98Å; L157-K439 HydrophobicContact CD1-CG 4.15Å; S437-K439 PolarHBondContact O-N 3.26Å
440	Y	96.8	Very high	94.8	Very high	28 Å²	28	24.3 Å²	24.3	11%	0.11	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	25.1	-172.6	-50.6	-68.6	0	0	0	112	N119 P120 N438 Q442 S443 F445 D446	N119-Y440 HydrophobicContact CB-CE1 4.16Å; N119-Y440 HydrophobicContact CB-CE2 4.27Å; P120-Y440 HydrophobicContact CG-CE1 4Å; P120-Y440 WeakPolarHBondContact O-CE1 3.41Å; P120-Y440 PolarHBondContact O-OH 2.81Å; N438-Y440 VanDerWaalsContact C-N 3.26Å; N438-Y440 PolarHBondContact O-N 3.27Å; N438-Y440 WeakPolarHBondContact OD1-CA 3.45Å; N438-Y440 PolarHBondContact OD1-N 3.42Å; Y440-Q442 PolarHBondContact O-N 2.95Å; Y440-S443 WeakPolarHBondContact O-CB 3.44Å; Y440-S443 PolarHBondContact O-N 3.27Å; Y440-S443 VanDerWaalsContact O-N 3.07Å; Y440-F445 HydrophobicContact CD1-CB 3.38Å; Y440-F445 HydrophobicContact CD1-CD2 4.31Å; Y440-F445 HydrophobicContact CD1-CG 4.19Å; Y440-F445 HydrophobicContact CD2-CB 4.47Å; Y440-F445 HydrophobicContact CE1-CB 3.95Å; Y440-F445 HydrophobicContact CG-CB 3.68Å; Y440-D446 WeakPolarHBondContact O-CB 3.27Å
441	F	97.4	Very high	94.6	Very high	3 Å²	3	24.1 Å²	24.1	1%	0.013	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	123.4	-177.3	-178.3	-101.7	0	0	0	112.7	S125 H127 P131 N155 F436 N438 S443	S125-F441 WeakPolarHBondContact CB-O 3.4Å; S125-F441 PolarHBondContact OG-O 3.14Å; H127-F441 HydrophobicContact CB-CD1 4.04Å; H127-F441 HydrophobicContact CB-CE1 4.27Å; H127-F441 AromaticContact CG-CE1 3.95Å; P131-F441 HydrophobicContact CB-CE1 4.15Å; P131-F441 HydrophobicContact CB-CZ 4.3Å; P131-F441 HydrophobicContact CG-CD1 4.46Å; P131-F441 HydrophobicContact CG-CE1 3.53Å; P131-F441 HydrophobicContact CG-CZ 3.93Å; N155-F441 HydrophobicContact CB-CD1 4.48Å; F436-F441 HydrophobicContact CD2-CB 4.05Å; F436-F441 HydrophobicContact CD2-CD1 4.22Å; F436-F441 AromaticContact CD2-CD2 3.72Å; F436-F441 HydrophobicContact CD2-CD2 3.72Å; F436-F441 HydrophobicContact CD2-CE2 4.19Å; F436-F441 AromaticContact CD2-CG 3.73Å; F436-F441 HydrophobicContact CD2-CG 3.73Å; F436-F441 HydrophobicContact CE2-CB 4.45Å; F436-F441 AromaticContact CE2-CD1 3.79Å; F436-F441 HydrophobicContact CE2-CD1 3.79Å; F436-F441 AromaticContact CE2-CD2 3.54Å; F436-F441 HydrophobicContact CE2-CD2 3.54Å; F436-F441 AromaticContact CE2-CE1 3.8Å; F436-F441 HydrophobicContact CE2-CE1 3.8Å; F436-F441 AromaticContact CE2-CE2 3.55Å; F436-F441 HydrophobicContact CE2-CE2 3.55Å; F436-F441 AromaticContact CE2-CG 3.66Å; F436-F441 HydrophobicContact CE2-CG 3.66Å; F436-F441 AromaticContact CE2-CZ 3.69Å; F436-F441 HydrophobicContact CE2-CZ 3.69Å; F436-F441 HydrophobicContact CZ-CD2 4.37Å; F436-F441 AromaticContact CZ-CE2 4Å; F436-F441 HydrophobicContact CZ-CE2 4Å; F436-F441 HydrophobicContact CZ-CZ 4.12Å; N438-F441 PolarHBondContact OD1-N 3.47Å; F441-S443 PolarHBondContact O-N 3.33Å
442	Q	96.8	Very high	94.3	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	53	-176.1	-47.5	-55.4	107	0	0	113.3	P126 H127 S273 R274 S275 S286 T323 Y440	P126-Q442 WeakPolarHBondContact CD-O 3.47Å; P126-Q442 WeakPolarHBondContact CG-O 3.26Å; H127-Q442 HydrophobicContact CB-CB 4.17Å; H127-Q442 HydrophobicContact CB-CG 4.5Å; S273-Q442 VanDerWaalsContact CA-NE2 3.31Å; R274-Q442 HydrophobicContact CG-CB 3.86Å; R274-Q442 HydrophobicContact CG-CG 4.25Å; R274-Q442 CarbonylContact O-C 3.54Å; R274-Q442 WeakPolarHBondContact O-CA 3.42Å; R274-Q442 WeakPolarHBondContact O-CB 3.32Å; S275-Q442 WeakPolarHBondContact CA-O 3.31Å; S286-Q442 PolarHBondContact OG-OE1 3.4Å; T323-Q442 PolarHBondContact OG1-NE2 2.91Å; Y440-Q442 PolarHBondContact O-N 2.95Å
443	S	95.8	Very high	94.1	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.014	16%	0.163	C	C	.	.	S	Bend	trans	-132.3	161.3	-177.5	-166.8	0	0	0	0	111	F124 R274 Y440 F441 F445 D446	F124-S443 WeakPolarHBondContact CD1-OG 3.45Å; F124-S443 WeakPolarHBondContact O-CB 3.02Å; F124-S443 PolarHBondContact O-OG 3.2Å; R274-S443 PolarHBondContact O-N 2.88Å; Y440-S443 WeakPolarHBondContact O-CB 3.44Å; Y440-S443 PolarHBondContact O-N 3.27Å; Y440-S443 VanDerWaalsContact O-N 3.07Å; F441-S443 PolarHBondContact O-N 3.33Å; S443-F445 PolarHBondContact O-N 3.36Å; S443-F445 WeakPolarHBondContact OG-CD2 3.39Å; S443-D446 PolarHBondContact O-N 3.08Å
444	M	93.6	Very high	93.9	Very high	7 Å²	7	31.9 Å²	31.9	3%	0.034	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-17.7	173.2	66.4	-168.5	-166.2	0	0	112.8	S90 E115 F277 I280 P282	S90-M444 WeakPolarHBondContact OG-CE 3.49Å; E115-M444 HydrophobicContact CG-CE 4.44Å; F277-M444 HydrophobicContact CD2-SD 3.87Å; F277-M444 HydrophobicContact CE2-SD 3.83Å; I280-M444 HydrophobicContact CB-CB 4.47Å; I280-M444 HydrophobicContact CG2-CB 3.58Å; P282-M444 WeakPolarHBondContact CG-O 3.38Å
445	F	95.2	Very high	93.8	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.018	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-1.5	178.5	-54.8	-58.5	0	0	0	114.2	P116 N119 P120 F124 Y440 S443 N447	P116-F445 HydrophobicContact CG-CD1 4.5Å; P116-F445 HydrophobicContact CG-CE1 3.46Å; P116-F445 VanDerWaalsContact CG-CE1 3.46Å; P116-F445 HydrophobicContact CG-CZ 3.92Å; N119-F445 HydrophobicContact CB-CB 4.42Å; N119-F445 PolarHBondContact ND2-O 3.13Å; N119-F445 WeakPolarHBondContact OD1-CD1 3.48Å; P120-F445 HydrophobicContact CG-CD2 3.83Å; P120-F445 HydrophobicContact CG-CE2 3.77Å; P120-F445 HydrophobicContact CG-CG 4.23Å; P120-F445 HydrophobicContact CG-CZ 4.12Å; F124-F445 HydrophobicContact CB-CD2 4.04Å; F124-F445 HydrophobicContact CB-CE2 4.15Å; F124-F445 HydrophobicContact CD1-CD2 4.04Å; F124-F445 AromaticContact CD1-CE2 3.88Å; F124-F445 HydrophobicContact CD1-CE2 3.88Å; F124-F445 HydrophobicContact CG-CD2 4.48Å; F124-F445 HydrophobicContact CG-CE2 4.31Å; Y440-F445 HydrophobicContact CD1-CB 3.38Å; Y440-F445 HydrophobicContact CD1-CD2 4.31Å; Y440-F445 HydrophobicContact CD1-CG 4.19Å; Y440-F445 HydrophobicContact CD2-CB 4.47Å; Y440-F445 HydrophobicContact CE1-CB 3.95Å; Y440-F445 HydrophobicContact CG-CB 3.68Å; S443-F445 PolarHBondContact O-N 3.36Å; S443-F445 WeakPolarHBondContact OG-CD2 3.39Å; F445-N447 PolarHBondContact O-N 2.95Å; F445-N447 PolarHBondContact O-OD1 3.02Å
446	D	96.1	Very high	93.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.			trans	-80.2	61.6	172.4	-165.9	13.4	0	0	0	110.4	P282 G283 A284 E285 S286 N438 Y440 S443 S450	P282-D446 CarbonylContact C-O 3.53Å; P282-D446 VanDerWaalsContact CB-O 3.28Å; P282-D446 WeakPolarHBondContact CB-O 3.38Å; P282-D446 VanDerWaalsContact CG-O 3.24Å; P282-D446 WeakPolarHBondContact CG-O 3.47Å; G283-D446 PolarHBondContact N-O 3.36Å; G283-D446 VanDerWaalsContact N-O 3.14Å; A284-D446 VanDerWaalsContact CB-O 3.26Å; A284-D446 WeakPolarHBondContact CB-O 3.47Å; A284-D446 PolarHBondContact N-O 3.06Å; E285-D446 PolarHBondContact N-OD1 3.19Å; S286-D446 VanDerWaalsContact CB-OD2 3.31Å; S286-D446 WeakPolarHBondContact CB-OD2 3.42Å; S286-D446 PolarHBondContact N-OD2 3.05Å; S286-D446 PolarHBondContact OG-OD2 2.68Å; N438-D446 PolarHBondContact ND2-OD2 3.01Å; Y440-D446 WeakPolarHBondContact O-CB 3.27Å; S443-D446 PolarHBondContact O-N 3.08Å; D446-S450 PolarHBondContact OD1-OG 3.3Å
447	N	94.1	Very high	93.3	Very high	26 Å²	26	36.4 Å²	36.4	14%	0.139	20%	0.199	C	C	.	.	S	Bend	trans	-113.2	-176.4	-170.6	58.7	27.1	0	0	0	112.1	N119 P282 A284 F445 D449 S450	N119-N447 PolarHBondContact ND2-OD1 3.4Å; N119-N447 PolarHBondContact OD1-ND2 3.28Å; P282-N447 HydrophobicContact CB-CB 4.26Å; P282-N447 HydrophobicContact CG-CB 4.28Å; A284-N447 VanDerWaalsContact CB-O 3.25Å; A284-N447 WeakPolarHBondContact CB-O 3.37Å; F445-N447 PolarHBondContact O-N 2.95Å; F445-N447 PolarHBondContact O-OD1 3.02Å; N447-D449 PolarHBondContact O-N 2.91Å; N447-D449 PolarHBondContact OD1-N 3.26Å; N447-S450 WeakPolarHBondContact O-CB 3.48Å; N447-S450 PolarHBondContact O-N 2.8Å; N447-S450 PolarHBondContact O-OG 3.01Å; N447-S450 PolarHBondContact OD1-N 2.78Å
448	A	94.1	Very high	93.2	Very high	8 Å²	8	41.6 Å²	41.6	7%	0.066	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-54	-37.4	-178.7	0	0	0	0	0	113.5	S450 L451 N452 V453 L515 I516	A448-S450 VanDerWaalsContact C-N 3.29Å; A448-S450 PolarHBondContact O-N 3.37Å; A448-L451 PolarHBondContact O-N 2.82Å; A448-N452 PolarHBondContact O-N 2.88Å; A448-V453 HydrophobicContact CB-CB 4.29Å; A448-V453 PolarHBondContact O-N 2.93Å; A448-L515 HydrophobicContact CB-CB 4.05Å; A448-I516 HydrophobicContact CB-CD1 3.65Å
449	D	92.1	Very high	93.1	Very high	82 Å²	82	43.6 Å²	43.6	44%	0.439	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-67.4	-30.5	179.2	-63.4	-23.1	0	0	0	112	N447 L451 N452 L454	N447-D449 PolarHBondContact O-N 2.91Å; N447-D449 PolarHBondContact OD1-N 3.26Å; D449-L451 PolarHBondContact O-N 3.35Å; D449-N452 PolarHBondContact O-N 3Å; D449-N452 VanDerWaalsContact O-N 3.15Å; D449-L454 WeakPolarHBondContact OD1-CD2 3.41Å
450	S	91.8	Very high	93	Very high	11 Å²	11	42 Å²	42	8%	0.077	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-60.7	-34.8	176.8	85.4	0	0	0	0	111.5	F359 D446 N447 A448	F359-S450 WeakPolarHBondContact CE1-O 3.36Å; F359-S450 VanDerWaalsContact CZ-O 3.23Å; F359-S450 WeakPolarHBondContact CZ-O 3.48Å; D446-S450 PolarHBondContact OD1-OG 3.3Å; N447-S450 WeakPolarHBondContact O-CB 3.48Å; N447-S450 PolarHBondContact O-N 2.8Å; N447-S450 PolarHBondContact O-OG 3.01Å; N447-S450 PolarHBondContact OD1-N 2.78Å; A448-S450 VanDerWaalsContact C-N 3.29Å; A448-S450 PolarHBondContact O-N 3.37Å
451	L	91.3	Very high	92.9	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.016	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-95.4	11.4	178.8	-74	-173.5	0	0	0	114.3	A284 E285 F359 A448 D449 V453 T471 L515	A284-L451 HydrophobicContact CB-CD1 3.97Å; A284-L451 HydrophobicContact CB-CG 4.21Å; A284-L451 WeakPolarHBondContact O-CD1 3.36Å; E285-L451 HydrophobicContact CB-CD1 4.49Å; E285-L451 HydrophobicContact CB-CD2 3.93Å; E285-L451 HydrophobicContact CB-CG 4.31Å; E285-L451 HydrophobicContact CG-CD2 4.37Å; E285-L451 WeakPolarHBondContact OE2-CD2 3.38Å; F359-L451 HydrophobicContact CD1-CD2 4.31Å; F359-L451 HydrophobicContact CD2-CD2 4.38Å; F359-L451 HydrophobicContact CE1-CD2 3.94Å; F359-L451 HydrophobicContact CE2-CD2 4.02Å; F359-L451 HydrophobicContact CZ-CD2 3.78Å; A448-L451 PolarHBondContact O-N 2.82Å; D449-L451 PolarHBondContact O-N 3.35Å; L451-V453 HydrophobicContact CB-CG2 3.9Å; L451-V453 PolarHBondContact O-N 2.95Å; L451-T471 HydrophobicContact CB-CG2 4.38Å; L451-T471 PolarHBondContact O-OG1 2.79Å; L451-L515 HydrophobicContact CD1-CD1 4.47Å
452	N	89.8	Confident	92.6	Very high	114 Å²	114	48.9 Å²	48.9	61%	0.61	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	33.6	-174.7	-61.2	-49.2	0	0	0	113.4	A448 D449 L454	A448-N452 PolarHBondContact O-N 2.88Å; D449-N452 PolarHBondContact O-N 3Å; D449-N452 VanDerWaalsContact O-N 3.15Å; N452-L454 PolarHBondContact O-N 3.12Å
453	V	90.9	Very high	92.5	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.012	30%	0.296	C	S	.	.			trans	-81.7	75.1	174.4	-174.9	0	0	0	0	108.2	A448 L451 Y455 T469 T471 L515	A448-V453 HydrophobicContact CB-CB 4.29Å; A448-V453 PolarHBondContact O-N 2.93Å; L451-V453 HydrophobicContact CB-CG2 3.9Å; L451-V453 PolarHBondContact O-N 2.95Å; V453-Y455 HydrophobicContact CG1-CE2 3.84Å; V453-T469 HydrophobicContact CG1-CG2 4.28Å; V453-T471 HydrophobicContact CG2-CG2 4.25Å; V453-L515 HydrophobicContact CG2-CD1 4.33Å
454	L	88.8	Confident	92.5	Very high	104 Å²	104	55.3 Å²	55.3	55%	0.545	30%	0.304	S	S	.	.			trans	-105.1	142.6	-176.2	-59.7	176	0	0	0	110.8	D449 N452	D449-L454 WeakPolarHBondContact OD1-CD2 3.41Å; N452-L454 PolarHBondContact O-N 3.12Å
455	Y	91.5	Very high	92.6	Very high	37 Å²	37	55 Å²	55	15%	0.145	30%	0.303	C	S	.	.			trans	-116.9	142.2	177.3	-61.2	-85.6	0	0	0	110.4	V453 Q464 H467 T469 Y512 I516	V453-Y455 HydrophobicContact CG1-CE2 3.84Å; Y455-Q464 HydrophobicContact CD1-CB 3.85Å; Y455-Q464 HydrophobicContact CD1-CG 4.07Å; Y455-Q464 HydrophobicContact CE1-CB 4.23Å; Y455-Q464 WeakPolarHBondContact CE1-O 3.27Å; Y455-Q464 HydrophobicContact CG-CB 4.17Å; Y455-Q464 HydrophobicContact CG-CG 4.04Å; Y455-H467 HydrophobicContact CD1-CB 4.12Å; Y455-H467 AromaticContact CD1-CD2 3.96Å; Y455-H467 HydrophobicContact CE1-CB 4.21Å; Y455-T469 HydrophobicContact CE1-CG2 3.91Å; Y455-Y512 HydrophobicContact CE1-CD2 4.34Å; Y455-Y512 HydrophobicContact CE2-CD2 4.15Å; Y455-Y512 AromaticContact CZ-CD2 3.8Å; Y455-I516 HydrophobicContact CE2-CD1 4.02Å; Y455-I516 HydrophobicContact CE2-CG1 3.74Å
456	P	91.1	Very high	92.6	Very high	55 Å²	55	57.3 Å²	57.3	36%	0.357	32%	0.315	S	S	.	.			trans	-57.4	137.3	171.7	-21.9	29.7	0	0	0	111.4	N458 L459	P456-N458 PolarHBondContact O-N 2.95Å; P456-L459 HydrophobicContact CB-CD1 4.33Å; P456-L459 HydrophobicContact CB-CG 4.13Å; P456-L459 HydrophobicContact CG-CD1 4.02Å; P456-L459 HydrophobicContact CG-CG 4.35Å; P456-L459 PolarHBondContact O-N 3.35Å
457	P	87.1	Confident	92.6	Very high	123 Å²	123	60.6 Å²	60.6	80%	0.799	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.9	-170.3	26.1	-35.7	0	0	0	114.4
458	N	92.3	Very high	92.7	Very high	155 Å²	155	61.3 Å²	61.3	83%	0.829	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-2.6	-177.5	-64.5	-16.6	0	0	0	113.7	P456	P456-N458 PolarHBondContact O-N 2.95Å
459	L	93.3	Very high	92.7	Very high	45 Å²	45	61.1 Å²	61.1	24%	0.236	33%	0.334	C	S	.	.			trans	-82.4	137.1	-178.9	-62.1	-174	0	0	0	111.3	P456 E463 Q464 H467	P456-L459 HydrophobicContact CB-CD1 4.33Å; P456-L459 HydrophobicContact CB-CG 4.13Å; P456-L459 HydrophobicContact CG-CD1 4.02Å; P456-L459 HydrophobicContact CG-CG 4.35Å; P456-L459 PolarHBondContact O-N 3.35Å; L459-E463 HydrophobicContact CB-CB 4.05Å; L459-E463 HydrophobicContact CD2-CB 4.16Å; L459-Q464 HydrophobicContact CB-CG 3.66Å; L459-Q464 HydrophobicContact CD1-CG 4.41Å; L459-Q464 PolarHBondContact O-NE2 3.01Å; L459-H467 HydrophobicContact CD1-CB 4.16Å
460	T	94.4	Very high	92.7	Very high	72 Å²	72	62.8 Å²	62.8	44%	0.442	34%	0.342	S	S	.	.			trans	-67.2	158.9	167.5	62.4	0	0	0	0	111.1	E462 E463 Q464	T460-E462 PolarHBondContact O-N 3.09Å; T460-E462 VanDerWaalsContact O-N 3.15Å; T460-E463 WeakPolarHBondContact CB-OE2 3.35Å; T460-E463 WeakPolarHBondContact CG2-OE2 3.08Å; T460-E463 PolarHBondContact N-OE2 3.34Å; T460-E463 PolarHBondContact O-N 3.39Å; T460-E463 VanDerWaalsContact OG1-CD 3.25Å; T460-E463 VanDerWaalsContact OG1-CG 3.24Å; T460-E463 WeakPolarHBondContact OG1-CG 3.43Å; T460-E463 PolarHBondContact OG1-N 3.03Å; T460-E463 PolarHBondContact OG1-OE2 3.16Å; T460-Q464 WeakPolarHBondContact O-CG 3.44Å; T460-Q464 PolarHBondContact O-N 3.16Å
461	P	92.7	Very high	92.8	Very high	88 Å²	88	62.8 Å²	62.8	57%	0.571	34%	0.342	S	S	*	.	H	α-helix	trans	-54.8	-34.3	178.6	-28.4	36	0	0	0	114.2	Q464 L465	P461-Q464 PolarHBondContact O-N 3.31Å; P461-L465 PolarHBondContact O-N 2.76Å
462	E	92.8	Very high	93	Very high	87 Å²	87	62.7 Å²	62.7	41%	0.407	34%	0.342	S	S	.	.	H	α-helix	trans	-73.1	-37.4	176.9	-172.8	58.2	-140.3	0	0	112.2	T460 Q464 L465 N466 S521	T460-E462 PolarHBondContact O-N 3.09Å; T460-E462 VanDerWaalsContact O-N 3.15Å; E462-Q464 VanDerWaalsContact C-N 3.34Å; E462-L465 PolarHBondContact O-N 3.48Å; E462-N466 PolarHBondContact O-N 2.86Å; E462-N466 PolarHBondContact O-ND2 3.27Å; E462-N466 PolarHBondContact OE1-ND2 2.94Å; E462-S521 VanDerWaalsContact CD-OG 3.27Å; E462-S521 PolarHBondContact OE1-OG 3.48Å; E462-S521 VanDerWaalsContact OE2-CB 3.23Å; E462-S521 WeakPolarHBondContact OE2-CB 3.37Å; E462-S521 PolarHBondContact OE2-OG 2.99Å
463	E	94.9	Very high	93.3	Very high	99 Å²	99	61.1 Å²	61.1	46%	0.463	33%	0.33	S	S	.	.	H	α-helix	trans	-68.6	-35.5	173.2	-70.7	165.4	146.5	0	0	111.5	L459 T460 N466 H467	L459-E463 HydrophobicContact CB-CB 4.05Å; L459-E463 HydrophobicContact CD2-CB 4.16Å; T460-E463 WeakPolarHBondContact CB-OE2 3.35Å; T460-E463 WeakPolarHBondContact CG2-OE2 3.08Å; T460-E463 PolarHBondContact N-OE2 3.34Å; T460-E463 PolarHBondContact O-N 3.39Å; T460-E463 VanDerWaalsContact OG1-CD 3.25Å; T460-E463 VanDerWaalsContact OG1-CG 3.24Å; T460-E463 WeakPolarHBondContact OG1-CG 3.43Å; T460-E463 PolarHBondContact OG1-N 3.03Å; T460-E463 PolarHBondContact OG1-OE2 3.16Å; E463-N466 CarbonylContact O-C 3.56Å; E463-N466 PolarHBondContact O-N 2.58Å; E463-H467 WeakPolarHBondContact O-CB 3.45Å; E463-H467 PolarHBondContact O-N 2.9Å
464	Q	94.7	Very high	93.4	Very high	39 Å²	39	61.9 Å²	61.9	18%	0.182	34%	0.335	C	S	.	.	H	α-helix	trans	-63.8	-45.2	173.9	-68.3	-178.7	0.3	0	0	111.5	Y455 L459 T460 P461 E462 N466 H467 Y512	Y455-Q464 HydrophobicContact CD1-CB 3.85Å; Y455-Q464 HydrophobicContact CD1-CG 4.07Å; Y455-Q464 HydrophobicContact CE1-CB 4.23Å; Y455-Q464 WeakPolarHBondContact CE1-O 3.27Å; Y455-Q464 HydrophobicContact CG-CB 4.17Å; Y455-Q464 HydrophobicContact CG-CG 4.04Å; L459-Q464 HydrophobicContact CB-CG 3.66Å; L459-Q464 HydrophobicContact CD1-CG 4.41Å; L459-Q464 PolarHBondContact O-NE2 3.01Å; T460-Q464 WeakPolarHBondContact O-CG 3.44Å; T460-Q464 PolarHBondContact O-N 3.16Å; P461-Q464 PolarHBondContact O-N 3.31Å; E462-Q464 VanDerWaalsContact C-N 3.34Å; Q464-N466 PolarHBondContact O-N 3.09Å; Q464-H467 WeakPolarHBondContact O-CB 3.31Å; Q464-H467 PolarHBondContact O-N 3.16Å; Q464-H467 VanDerWaalsContact O-N 3.1Å; Q464-Y512 HydrophobicContact CB-CD2 4.17Å; Q464-Y512 HydrophobicContact CB-CE2 3.61Å
465	L	94.9	Very high	93.8	Very high	1 Å²	1	57 Å²	57	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-55.5	-37.1	175.8	176.9	65.9	0	0	0	112.2	P461 E462 R509 Y512 N520 S521 W522	P461-L465 PolarHBondContact O-N 2.76Å; E462-L465 PolarHBondContact O-N 3.48Å; L465-R509 HydrophobicContact CD1-CB 4Å; L465-R509 HydrophobicContact CD1-CG 3.92Å; L465-R509 HydrophobicContact CG-CG 4.09Å; L465-R509 VanDerWaalsContact O-CG 3.28Å; L465-R509 WeakPolarHBondContact O-CG 3.25Å; L465-Y512 HydrophobicContact CB-CD1 4.15Å; L465-Y512 HydrophobicContact CB-CE1 4.24Å; L465-Y512 HydrophobicContact CB-CG 4.44Å; L465-Y512 HydrophobicContact CD1-CD1 3.53Å; L465-Y512 HydrophobicContact CD1-CE1 4.23Å; L465-Y512 HydrophobicContact CD1-CG 4.04Å; L465-Y512 HydrophobicContact CG-CD1 4.44Å; L465-N520 HydrophobicContact CD2-CB 4.24Å; L465-S521 WeakPolarHBondContact CD2-OG 3.39Å; L465-W522 HydrophobicContact CD2-CB 4.1Å
466	N	96	Very high	94.1	Very high	53 Å²	53	55.2 Å²	55.2	28%	0.283	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	3.6	-178.1	-63.9	-59.9	0	0	0	113.9	E462 E463 Q464 L505 R509	E462-N466 PolarHBondContact O-N 2.86Å; E462-N466 PolarHBondContact O-ND2 3.27Å; E462-N466 PolarHBondContact OE1-ND2 2.94Å; E463-N466 CarbonylContact O-C 3.56Å; E463-N466 PolarHBondContact O-N 2.58Å; Q464-N466 PolarHBondContact O-N 3.09Å; N466-L505 HydrophobicContact CB-CD1 4.34Å; N466-L505 WeakPolarHBondContact O-CD1 3.47Å; N466-R509 VanDerWaalsContact OD1-CZ 3.26Å; N466-R509 PolarHBondContact OD1-NE 3.36Å; N466-R509 PolarHBondContact OD1-NH2 3.16Å
467	H	95.9	Very high	94.3	Very high	68 Å²	68	54.3 Å²	54.3	32%	0.315	29%	0.293	S	S	.	.			trans	-83.4	124.8	177.6	-176.8	74.2	0	0	0	110.3	Y455 L459 E463 Q464 T469 S508	Y455-H467 HydrophobicContact CD1-CB 4.12Å; Y455-H467 AromaticContact CD1-CD2 3.96Å; Y455-H467 HydrophobicContact CE1-CB 4.21Å; L459-H467 HydrophobicContact CD1-CB 4.16Å; E463-H467 WeakPolarHBondContact O-CB 3.45Å; E463-H467 PolarHBondContact O-N 2.9Å; Q464-H467 WeakPolarHBondContact O-CB 3.31Å; Q464-H467 PolarHBondContact O-N 3.16Å; Q464-H467 VanDerWaalsContact O-N 3.1Å; H467-T469 PolarHBondContact O-N 3.21Å; H467-S508 WeakPolarHBondContact O-CB 3.48Å; H467-S508 PolarHBondContact O-OG 2.97Å
468	V	96.3	Very high	94.8	Very high	41 Å²	41	48.4 Å²	48.4	25%	0.248	26%	0.255	C	S	.	.			trans	-86.1	106.9	179.1	-177	0	0	0	0	110.3	K473 E504 L505	V468-K473 HydrophobicContact CG1-CD 4.44Å; V468-K473 HydrophobicContact CG1-CG 3.67Å; V468-E504 HydrophobicContact CG1-CB 3.98Å; V468-L505 HydrophobicContact CG2-CB 4.41Å; V468-L505 HydrophobicContact CG2-CD1 4.24Å
469	T	93.9	Very high	95	Very high	5 Å²	5	41 Å²	41	3%	0.031	22%	0.216	C	C	.	.			trans	-76.8	158.6	176.6	62.7	0	0	0	0	111.8	V453 Y455 H467 T471 A472 K473	V453-T469 HydrophobicContact CG1-CG2 4.28Å; Y455-T469 HydrophobicContact CE1-CG2 3.91Å; H467-T469 PolarHBondContact O-N 3.21Å; T469-T471 VanDerWaalsContact C-N 3.29Å; T469-T471 PolarHBondContact O-N 3Å; T469-A472 WeakPolarHBondContact O-CB 3Å; T469-A472 PolarHBondContact O-N 3.06Å; T469-A472 VanDerWaalsContact O-N 3.13Å; T469-A472 WeakPolarHBondContact OG1-CB 3.43Å; T469-A472 PolarHBondContact OG1-N 2.7Å; T469-K473 PolarHBondContact O-N 3.46Å; T469-K473 VanDerWaalsContact O-N 3.08Å
470	D	92.8	Very high	95.3	Very high	116 Å²	116	38.9 Å²	38.9	62%	0.62	20%	0.204	S	C	*	.	H	α-helix	trans	-66.7	-32.8	178	-68.8	-29.1	0	0	0	112.3	A472 K473 S474	D470-A472 VanDerWaalsContact C-N 3.34Å; D470-K473 PolarHBondContact O-N 3.44Å; D470-K473 IonicContact OD1-NZ 3.61Å; D470-K473 PolarHBondContact OD1-NZ 3.46Å; D470-S474 WeakPolarHBondContact O-CB 3.1Å; D470-S474 PolarHBondContact O-N 2.93Å; D470-S474 PolarHBondContact O-OG 3.08Å
471	T	93.4	Very high	95.4	Very high	12 Å²	12	35.5 Å²	35.5	7%	0.074	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-40.9	170.4	-50.7	0	0	0	0	111	L451 V453 T469 S474 L475	L451-T471 HydrophobicContact CB-CG2 4.38Å; L451-T471 PolarHBondContact O-OG1 2.79Å; V453-T471 HydrophobicContact CG2-CG2 4.25Å; T469-T471 VanDerWaalsContact C-N 3.29Å; T469-T471 PolarHBondContact O-N 3Å; T471-S474 WeakPolarHBondContact O-CB 3.4Å; T471-S474 PolarHBondContact O-N 3.04Å; T471-L475 HydrophobicContact CG2-CD1 4.46Å; T471-L475 WeakPolarHBondContact O-CG 3.2Å; T471-L475 PolarHBondContact O-N 2.93Å
472	A	95.6	Very high	95.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.3	-44.7	176	0	0	0	0	0	112.6	T469 D470 S474 L475 A476 V507 L511	T469-A472 WeakPolarHBondContact O-CB 3Å; T469-A472 PolarHBondContact O-N 3.06Å; T469-A472 VanDerWaalsContact O-N 3.13Å; T469-A472 WeakPolarHBondContact OG1-CB 3.43Å; T469-A472 PolarHBondContact OG1-N 2.7Å; D470-A472 VanDerWaalsContact C-N 3.34Å; A472-S474 PolarHBondContact O-N 2.54Å; A472-L475 PolarHBondContact O-N 3.18Å; A472-A476 WeakPolarHBondContact O-CB 3.27Å; A472-A476 PolarHBondContact O-N 3.4Å; A472-V507 HydrophobicContact CB-CB 4.49Å; A472-V507 HydrophobicContact CB-CG1 4.03Å; A472-V507 WeakPolarHBondContact O-CG1 3.27Å; A472-L511 HydrophobicContact CB-CD1 3.75Å
473	K	95.1	Very high	95.9	Very high	82 Å²	82	27.1 Å²	27.1	36%	0.357	14%	0.137	S	C	.	.	H	α-helix	trans	-58.5	-42.7	174.6	-62.8	175.2	-165.4	150.9	0	110.9	V468 T469 D470 A476 E477	V468-K473 HydrophobicContact CG1-CD 4.44Å; V468-K473 HydrophobicContact CG1-CG 3.67Å; T469-K473 PolarHBondContact O-N 3.46Å; T469-K473 VanDerWaalsContact O-N 3.08Å; D470-K473 PolarHBondContact O-N 3.44Å; D470-K473 IonicContact OD1-NZ 3.61Å; D470-K473 PolarHBondContact OD1-NZ 3.46Å; K473-A476 PolarHBondContact O-N 3.31Å; K473-E477 WeakPolarHBondContact O-CG 3.39Å; K473-E477 PolarHBondContact O-N 3.09Å; K473-E477 VanDerWaalsContact O-N 3.16Å
474	S	94.3	Very high	96	Very high	18 Å²	18	23.7 Å²	23.7	13%	0.126	12%	0.12	C	C	.	.	H	α-helix	trans	-62.7	-55.7	-179.7	-56.5	0	0	0	0	109.8	Y360 D470 T471 A472 A476 E477 V478	Y360-S474 WeakPolarHBondContact CE1-O 3.47Å; Y360-S474 VanDerWaalsContact CZ-O 3.29Å; Y360-S474 WeakPolarHBondContact OH-CA 3.47Å; Y360-S474 WeakPolarHBondContact OH-CB 3.45Å; Y360-S474 PolarHBondContact OH-O 2.81Å; D470-S474 WeakPolarHBondContact O-CB 3.1Å; D470-S474 PolarHBondContact O-N 2.93Å; D470-S474 PolarHBondContact O-OG 3.08Å; T471-S474 WeakPolarHBondContact O-CB 3.4Å; T471-S474 PolarHBondContact O-N 3.04Å; A472-S474 PolarHBondContact O-N 2.54Å; S474-A476 PolarHBondContact O-N 2.88Å; S474-E477 WeakPolarHBondContact O-CB 3.25Å; S474-E477 PolarHBondContact O-N 3.28Å; S474-V478 PolarHBondContact O-N 3.34Å
475	L	96.5	Very high	96.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.2	-32.2	178.7	-67.9	-176.2	0	0	0	112.9	V357 T471 A472 V478 A479 V507 L511	V357-L475 HydrophobicContact CG2-CD2 3.97Å; V357-L475 WeakPolarHBondContact O-CD2 3.36Å; T471-L475 HydrophobicContact CG2-CD1 4.46Å; T471-L475 WeakPolarHBondContact O-CG 3.2Å; T471-L475 PolarHBondContact O-N 2.93Å; A472-L475 PolarHBondContact O-N 3.18Å; L475-V478 PolarHBondContact O-N 2.97Å; L475-A479 VanDerWaalsContact O-CB 3.31Å; L475-A479 WeakPolarHBondContact O-CB 3.47Å; L475-A479 PolarHBondContact O-N 3.41Å; L475-V507 HydrophobicContact CB-CG1 3.91Å; L475-L511 HydrophobicContact CD1-CD1 4.17Å; L475-L511 HydrophobicContact CD1-CD2 4.02Å; L475-L511 HydrophobicContact CD1-CG 4.41Å
476	A	97.2	Very high	96.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.6	-36.5	174.6	0	0	0	0	0	113	A472 K473 S474 T480 E504 V507	A472-A476 WeakPolarHBondContact O-CB 3.27Å; A472-A476 PolarHBondContact O-N 3.4Å; K473-A476 PolarHBondContact O-N 3.31Å; S474-A476 PolarHBondContact O-N 2.88Å; A476-T480 WeakPolarHBondContact O-CB 3.4Å; A476-T480 PolarHBondContact O-N 3.29Å; A476-T480 PolarHBondContact O-OG1 3.01Å; A476-E504 HydrophobicContact CB-CB 4.44Å; A476-E504 HydrophobicContact CB-CG 3.81Å; A476-V507 HydrophobicContact CB-CB 4.47Å; A476-V507 HydrophobicContact CB-CG2 3.95Å
477	E	95.9	Very high	96.3	Very high	36 Å²	36	19.4 Å²	19.4	17%	0.168	10%	0.098	C	C	.	.	H	α-helix	trans	-67.2	-41.7	174.4	-68.4	-75.8	133.1	0	0	111.1	L397 N398 V399 K473 S474 T480 M481	L397-E477 WeakPolarHBondContact CA-OE2 3.3Å; L397-E477 VanDerWaalsContact CB-OE2 3.3Å; L397-E477 WeakPolarHBondContact CB-OE2 3.41Å; L397-E477 VanDerWaalsContact CD2-OE2 3.32Å; L397-E477 WeakPolarHBondContact CD2-OE2 3.49Å; N398-E477 PolarHBondContact N-OE2 2.85Å; N398-E477 VanDerWaalsContact N-OE2 3.16Å; V399-E477 HydrophobicContact CG2-CB 3.79Å; K473-E477 WeakPolarHBondContact O-CG 3.39Å; K473-E477 PolarHBondContact O-N 3.09Å; K473-E477 VanDerWaalsContact O-N 3.16Å; S474-E477 WeakPolarHBondContact O-CB 3.25Å; S474-E477 PolarHBondContact O-N 3.28Å; E477-T480 WeakPolarHBondContact O-CB 3.45Å; E477-T480 PolarHBondContact O-N 2.95Å; E477-M481 PolarHBondContact O-N 2.98Å
478	V	97.1	Very high	96.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.5	-46.3	174.3	-173.5	0	0	0	0	111	T293 Y360 L365 S474 L475 T480 M481 V482	T293-V478 HydrophobicContact CG2-CB 4.07Å; T293-V478 HydrophobicContact CG2-CG1 3.76Å; Y360-V478 HydrophobicContact CD1-CG2 3.43Å; Y360-V478 VanDerWaalsContact CD1-CG2 3.43Å; Y360-V478 HydrophobicContact CD2-CG2 4.35Å; Y360-V478 HydrophobicContact CE1-CG2 3.17Å; Y360-V478 HydrophobicContact CE2-CG2 4.19Å; Y360-V478 HydrophobicContact CG-CG2 4.01Å; L365-V478 HydrophobicContact CD1-CB 4.39Å; L365-V478 HydrophobicContact CD1-CG1 3.74Å; L365-V478 HydrophobicContact CD1-CG2 3.93Å; S474-V478 PolarHBondContact O-N 3.34Å; L475-V478 PolarHBondContact O-N 2.97Å; V478-T480 PolarHBondContact O-N 3.27Å; V478-M481 HydrophobicContact CG1-CE 4.33Å; V478-M481 WeakPolarHBondContact O-CB 3.26Å; V478-M481 PolarHBondContact O-N 2.94Å; V478-M481 VanDerWaalsContact O-N 3.14Å; V478-V482 HydrophobicContact CG1-CG2 4.42Å; V478-V482 WeakPolarHBondContact O-CG2 3.25Å; V478-V482 PolarHBondContact O-N 2.04Å
479	A	98.1	Very high	96.3	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.7	-38.2	176.6	0	0	0	0	0	111.6	T293 A296 A297 L475 V482 A483 A502	T293-A479 HydrophobicContact CG2-CB 4.09Å; T293-A479 WeakPolarHBondContact O-CB 3.3Å; A296-A479 HydrophobicContact CB-CB 3.56Å; A297-A479 HydrophobicContact CB-CB 4.42Å; A297-A479 WeakPolarHBondContact CB-O 3.21Å; L475-A479 VanDerWaalsContact O-CB 3.31Å; L475-A479 WeakPolarHBondContact O-CB 3.47Å; L475-A479 PolarHBondContact O-N 3.41Å; A479-V482 PolarHBondContact O-N 3.16Å; A479-A483 WeakPolarHBondContact O-CB 3.05Å; A479-A483 PolarHBondContact O-N 3.15Å; A479-A502 HydrophobicContact CB-CB 3.8Å
480	T	97.9	Very high	96.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-64.1	-45.7	174.6	-61.5	0	0	0	0	111.6	L397 A476 E477 V478 A483 R484 I500 K501 A502	L397-T480 HydrophobicContact CD1-CG2 3.97Å; L397-T480 HydrophobicContact CD2-CG2 3.91Å; A476-T480 WeakPolarHBondContact O-CB 3.4Å; A476-T480 PolarHBondContact O-N 3.29Å; A476-T480 PolarHBondContact O-OG1 3.01Å; E477-T480 WeakPolarHBondContact O-CB 3.45Å; E477-T480 PolarHBondContact O-N 2.95Å; V478-T480 PolarHBondContact O-N 3.27Å; T480-A483 PolarHBondContact O-N 2.95Å; T480-R484 WeakPolarHBondContact O-CB 3.31Å; T480-R484 VanDerWaalsContact O-CG 3.25Å; T480-R484 WeakPolarHBondContact O-CG 3.41Å; T480-R484 PolarHBondContact O-N 2.94Å; T480-I500 WeakPolarHBondContact CG2-O 3.39Å; T480-K501 HydrophobicContact CG2-CB 4.47Å; T480-K501 HydrophobicContact CG2-CG 4.41Å; T480-A502 PolarHBondContact OG1-N 3.37Å
481	M	97.1	Very high	96.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-59.1	-49.2	175.4	-179.5	-163.5	70.4	0	0	111	L365 L390 A393 A394 L397 V399 V401 I429 E477 V478 R484 A485	L365-M481 HydrophobicContact CD1-CE 3.67Å; L365-M481 HydrophobicContact CD1-SD 4.22Å; L390-M481 HydrophobicContact CD2-CE 4.18Å; A393-M481 HydrophobicContact CB-CG 4.09Å; A393-M481 VanDerWaalsContact CB-O 3.31Å; A393-M481 WeakPolarHBondContact CB-O 3.29Å; A394-M481 HydrophobicContact CB-CG 4.15Å; A394-M481 HydrophobicContact CB-SD 4.07Å; L397-M481 HydrophobicContact CD1-CB 3.8Å; V399-M481 HydrophobicContact CG1-SD 3.82Å; V401-M481 HydrophobicContact CG2-SD 3.43Å; V401-M481 WeakPolarHBondContact CG2-SD 3.05Å; I429-M481 HydrophobicContact CD1-CE 4.17Å; E477-M481 PolarHBondContact O-N 2.98Å; V478-M481 HydrophobicContact CG1-CE 4.33Å; V478-M481 WeakPolarHBondContact O-CB 3.26Å; V478-M481 PolarHBondContact O-N 2.94Å; V478-M481 VanDerWaalsContact O-N 3.14Å; M481-R484 PolarHBondContact O-N 3.22Å; M481-A485 WeakPolarHBondContact O-CB 3.38Å; M481-A485 PolarHBondContact O-N 3.37Å
482	V	98.1	Very high	96.4	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60.5	-49.1	179.1	170.4	0	0	0	0	110.6	A297 L352 I354 I429 V478 A479 R484 A485 L486	A297-V482 HydrophobicContact CB-CB 4.22Å; A297-V482 HydrophobicContact CB-CG1 3.93Å; L352-V482 HydrophobicContact CD2-CG1 4.14Å; I354-V482 HydrophobicContact CD1-CG1 3.96Å; I354-V482 HydrophobicContact CD1-CG2 4.33Å; I354-V482 HydrophobicContact CG1-CG2 4.44Å; I429-V482 HydrophobicContact CD1-CG2 3.79Å; V478-V482 HydrophobicContact CG1-CG2 4.42Å; V478-V482 WeakPolarHBondContact O-CG2 3.25Å; V478-V482 PolarHBondContact O-N 2.04Å; A479-V482 PolarHBondContact O-N 3.16Å; V482-R484 VanDerWaalsContact C-N 3.34Å; V482-R484 PolarHBondContact O-N 3.05Å; V482-A485 PolarHBondContact O-N 2.81Å; V482-L486 HydrophobicContact CG1-CD1 3.7Å; V482-L486 HydrophobicContact CG1-CG 4.18Å; V482-L486 WeakPolarHBondContact O-CB 3.36Å; V482-L486 VanDerWaalsContact O-CG 3.25Å; V482-L486 WeakPolarHBondContact O-CG 3.34Å; V482-L486 PolarHBondContact O-N 3.14Å
483	A	97.8	Very high	96.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-54.7	-49.4	177.9	0	0	0	0	0	111.8	A297 A300 L301 A479 T480 A485 L486 F487 I500	A297-A483 HydrophobicContact CB-CB 4.18Å; A300-A483 HydrophobicContact CB-CB 3.93Å; L301-A483 HydrophobicContact CD1-CB 4.27Å; L301-A483 HydrophobicContact CD2-CB 4.45Å; L301-A483 WeakPolarHBondContact CD2-O 3.41Å; L301-A483 HydrophobicContact CG-CB 3.86Å; A479-A483 WeakPolarHBondContact O-CB 3.05Å; A479-A483 PolarHBondContact O-N 3.15Å; T480-A483 PolarHBondContact O-N 2.95Å; A483-A485 PolarHBondContact O-N 2.87Å; A483-L486 PolarHBondContact O-N 3.38Å; A483-F487 WeakPolarHBondContact O-CB 3.48Å; A483-F487 PolarHBondContact O-N 3.15Å; A483-I500 HydrophobicContact CB-CG2 3.66Å
484	R	97.4	Very high	95.7	Very high	27 Å²	27	20.1 Å²	20.1	10%	0.102	10%	0.103	C	C	.	.	H	α-helix	trans	-62.2	-43.8	177.9	-71.4	174	180	-179.7	1.3	112.3	A393 T480 M481 V482 F487 L488 I497 I500	A393-R484 HydrophobicContact CB-CB 3.63Å; T480-R484 WeakPolarHBondContact O-CB 3.31Å; T480-R484 VanDerWaalsContact O-CG 3.25Å; T480-R484 WeakPolarHBondContact O-CG 3.41Å; T480-R484 PolarHBondContact O-N 2.94Å; M481-R484 PolarHBondContact O-N 3.22Å; V482-R484 VanDerWaalsContact C-N 3.34Å; V482-R484 PolarHBondContact O-N 3.05Å; R484-F487 PolarHBondContact O-N 2.72Å; R484-L488 WeakPolarHBondContact O-CG 3.29Å; R484-L488 PolarHBondContact O-N 2.84Å; R484-L488 VanDerWaalsContact O-N 3.11Å; R484-I497 HydrophobicContact CB-CB 4.22Å; R484-I497 HydrophobicContact CG-CB 4Å; R484-I497 WeakPolarHBondContact CG-O 3.4Å; R484-I497 PolarHBondContact NE-O 3.13Å; R484-I500 HydrophobicContact CG-CB 4.04Å; R484-I500 HydrophobicContact CG-CG2 4.21Å; R484-I500 PolarHBondContact NE-O 3Å; R484-I500 PolarHBondContact NH2-O 3.16Å
485	A	97.4	Very high	95.4	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-64.3	-42	179.5	0	0	0	0	0	111.8	L390 A393 M481 V482 A483 L488 Q489	L390-A485 HydrophobicContact CD2-CB 3.53Å; L390-A485 HydrophobicContact CG-CB 3.94Å; A393-A485 HydrophobicContact CB-CB 3.94Å; M481-A485 WeakPolarHBondContact O-CB 3.38Å; M481-A485 PolarHBondContact O-N 3.37Å; V482-A485 PolarHBondContact O-N 2.81Å; A483-A485 PolarHBondContact O-N 2.87Å; A485-L488 PolarHBondContact O-N 3.17Å; A485-Q489 WeakPolarHBondContact O-CB 3.5Å; A485-Q489 PolarHBondContact O-N 3.05Å
486	L	97.4	Very high	94.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.9	-41.1	176	-69.6	174.1	0	0	0	112.3	I265 V267 L301 I314 L352 V482 A483 L488 Q489 A490	I265-L486 HydrophobicContact CG2-CD2 4.11Å; V267-L486 HydrophobicContact CB-CD1 4.41Å; V267-L486 HydrophobicContact CG1-CD1 4.01Å; V267-L486 HydrophobicContact CG1-CD2 4.42Å; V267-L486 HydrophobicContact CG2-CD1 3.75Å; V267-L486 HydrophobicContact CG2-CD2 3.31Å; V267-L486 HydrophobicContact CG2-CG 4.16Å; L301-L486 HydrophobicContact CD1-CB 4.02Å; L301-L486 HydrophobicContact CD1-CD1 4.07Å; I314-L486 HydrophobicContact CD1-CB 4.02Å; I314-L486 HydrophobicContact CG2-CD1 4.33Å; L352-L486 HydrophobicContact CD2-CD2 3.7Å; L352-L486 HydrophobicContact CD2-CG 4.14Å; V482-L486 HydrophobicContact CG1-CD1 3.7Å; V482-L486 HydrophobicContact CG1-CG 4.18Å; V482-L486 WeakPolarHBondContact O-CB 3.36Å; V482-L486 VanDerWaalsContact O-CG 3.25Å; V482-L486 WeakPolarHBondContact O-CG 3.34Å; V482-L486 PolarHBondContact O-N 3.14Å; A483-L486 PolarHBondContact O-N 3.38Å; L486-L488 VanDerWaalsContact C-N 3.31Å; L486-L488 PolarHBondContact O-N 3.3Å; L486-Q489 PolarHBondContact O-N 3.46Å; L486-A490 VanDerWaalsContact O-CB 3.26Å; L486-A490 WeakPolarHBondContact O-CB 3.05Å; L486-A490 PolarHBondContact O-N 3.48Å
487	F	96.8	Very high	94.5	Very high	1 Å²	1	29.6 Å²	29.6	0%	0.004	15%	0.154	C	C	.	.	H	α-helix	trans	-58.4	-44.1	174.8	-174	-102.8	0	0	0	111.7	L301 A304 A308 L310 A483 R484 A490 G492 Q496 I497 I500	L301-F487 HydrophobicContact CD2-CB 3.84Å; L301-F487 HydrophobicContact CD2-CD2 4.22Å; L301-F487 HydrophobicContact CD2-CG 4.48Å; A304-F487 HydrophobicContact CB-CD2 4Å; A304-F487 HydrophobicContact CB-CE2 3.81Å; A308-F487 HydrophobicContact CB-CE2 3.85Å; A308-F487 HydrophobicContact CB-CZ 3.91Å; L310-F487 HydrophobicContact CD2-CD2 4.13Å; L310-F487 HydrophobicContact CD2-CE2 3.86Å; L310-F487 HydrophobicContact CD2-CZ 4.42Å; A483-F487 WeakPolarHBondContact O-CB 3.48Å; A483-F487 PolarHBondContact O-N 3.15Å; R484-F487 PolarHBondContact O-N 2.72Å; F487-A490 PolarHBondContact O-N 2.69Å; F487-G492 VanDerWaalsContact CE1-CA 3.41Å; F487-G492 VanDerWaalsContact O-CA 3.28Å; F487-G492 WeakPolarHBondContact O-CA 3.47Å; F487-G492 PolarHBondContact O-N 3Å; F487-Q496 HydrophobicContact CE1-CB 3.83Å; F487-Q496 HydrophobicContact CZ-CB 4.15Å; F487-I497 HydrophobicContact CD1-CG2 4.11Å; F487-I500 HydrophobicContact CB-CD1 3.74Å; F487-I500 HydrophobicContact CD1-CD1 3.9Å; F487-I500 HydrophobicContact CD2-CD1 3.94Å; F487-I500 HydrophobicContact CE1-CD1 4.49Å; F487-I500 HydrophobicContact CG-CD1 3.58Å
488	L	96	Very high	94.2	Very high	15 Å²	15	32.3 Å²	32.3	8%	0.079	18%	0.177	C	C	.	.	H	α-helix	trans	-64.9	-45.9	176	-67.1	177.4	0	0	0	112.1	N389 R484 A485 L486 A490 G491 K494 I497	N389-L488 HydrophobicContact CB-CB 4.27Å; N389-L488 HydrophobicContact CB-CD1 4.37Å; R484-L488 WeakPolarHBondContact O-CG 3.29Å; R484-L488 PolarHBondContact O-N 2.84Å; R484-L488 VanDerWaalsContact O-N 3.11Å; A485-L488 PolarHBondContact O-N 3.17Å; L486-L488 VanDerWaalsContact C-N 3.31Å; L486-L488 PolarHBondContact O-N 3.3Å; L488-A490 PolarHBondContact O-N 3.4Å; L488-G491 PolarHBondContact O-N 3.01Å; L488-K494 HydrophobicContact CD1-CG 4.46Å; L488-K494 HydrophobicContact CD2-CB 4.27Å; L488-K494 HydrophobicContact CD2-CG 3.55Å; L488-I497 HydrophobicContact CD1-CD1 4.49Å; L488-I497 HydrophobicContact CD1-CG2 4.3Å; L488-I497 HydrophobicContact CD2-CG2 3.62Å; L488-I497 HydrophobicContact CG-CG2 3.85Å
489	Q	96	Very high	93.9	Very high	3 Å²	3	37 Å²	37	1%	0.014	21%	0.21	C	C	.	.	H	α-helix	trans	-62.5	-31.7	178.9	-168.7	67.3	6.9	0	0	111.7	I265 R312 S350 L386 N389 A485 L486 G491	I265-Q489 HydrophobicContact CD1-CB 3.86Å; I265-Q489 HydrophobicContact CD1-CG 3.59Å; I265-Q489 HydrophobicContact CG1-CG 4.16Å; R312-Q489 PolarHBondContact NH1-O 2.95Å; S350-Q489 PolarHBondContact OG-NE2 2.88Å; L386-Q489 HydrophobicContact CD1-CG 4.22Å; N389-Q489 PolarHBondContact ND2-OE1 3.03Å; A485-Q489 WeakPolarHBondContact O-CB 3.5Å; A485-Q489 PolarHBondContact O-N 3.05Å; L486-Q489 PolarHBondContact O-N 3.46Å; Q489-G491 PolarHBondContact O-N 3.08Å
490	A	95.4	Very high	93.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-0.7	175.9	0	0	0	0	0	114.4	I265 L310 D311 R312 I314 L486 F487 L488	I265-A490 HydrophobicContact CD1-CB 4.04Å; L310-A490 HydrophobicContact CB-CB 4.22Å; L310-A490 HydrophobicContact CD1-CB 3.92Å; L310-A490 HydrophobicContact CD2-CB 4.1Å; L310-A490 HydrophobicContact CG-CB 4.3Å; D311-A490 PolarHBondContact N-O 2.53Å; R312-A490 PolarHBondContact N-O 3.39Å; I314-A490 HydrophobicContact CD1-CB 4.14Å; I314-A490 HydrophobicContact CG1-CB 4.03Å; L486-A490 VanDerWaalsContact O-CB 3.26Å; L486-A490 WeakPolarHBondContact O-CB 3.05Å; L486-A490 PolarHBondContact O-N 3.48Å; F487-A490 PolarHBondContact O-N 2.69Å; L488-A490 PolarHBondContact O-N 3.4Å
491	G	93.7	Very high	93.7	Very high	32 Å²	32	42.5 Å²	42.5	33%	0.33	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.8	5.3	-179.1	0	0	0	0	0	114.3	L488 Q489	L488-G491 PolarHBondContact O-N 3.01Å; Q489-G491 PolarHBondContact O-N 3.08Å
492	G	92.7	Very high	93.7	Very high	13 Å²	13	42.6 Å²	42.6	13%	0.134	23%	0.234	C	C	.	.			trans	-65.7	152	177.2	0	0	0	0	0	113.4	F487	F487-G492 VanDerWaalsContact CE1-CA 3.41Å; F487-G492 VanDerWaalsContact O-CA 3.28Å; F487-G492 WeakPolarHBondContact O-CA 3.47Å; F487-G492 PolarHBondContact O-N 3Å
493	K	90.3	Very high	93.6	Very high	148 Å²	148	46 Å²	46	64%	0.643	25%	0.253	S	S	*	.			trans	-80.7	136.9	-178	-64.5	178.1	-177.8	173.2	0	111.5	T495 Q496	K493-T495 PolarHBondContact O-N 3.21Å; K493-Q496 PolarHBondContact O-N 2.66Å
494	K	87.4	Confident	93.6	Very high	128 Å²	128	48.6 Å²	48.6	56%	0.557	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-54.1	-26.6	176	-72.3	-171.6	178	-165.9	0	114.5	L488 Q496 I497	L488-K494 HydrophobicContact CD1-CG 4.46Å; L488-K494 HydrophobicContact CD2-CB 4.27Å; L488-K494 HydrophobicContact CD2-CG 3.55Å; K494-Q496 PolarHBondContact O-N 2.95Å; K494-I497 VanDerWaalsContact O-CG1 3.28Å; K494-I497 WeakPolarHBondContact O-CG1 3.38Å
495	T	86.4	Confident	93.6	Very high	116 Å²	116	49.8 Å²	49.8	71%	0.712	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-70.7	-18.6	178.4	54	0	0	0	0	113.9	K493	K493-T495 PolarHBondContact O-N 3.21Å
496	Q	86	Confident	93.6	Very high	78 Å²	78	50.5 Å²	50.5	36%	0.364	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-96.6	-9	-176.1	-64.3	172.9	-62.7	0	0	112.8	F487 K493 K494 S498 S499	F487-Q496 HydrophobicContact CE1-CB 3.83Å; F487-Q496 HydrophobicContact CZ-CB 4.15Å; K493-Q496 PolarHBondContact O-N 2.66Å; K494-Q496 PolarHBondContact O-N 2.95Å; Q496-S498 VanDerWaalsContact C-N 3.26Å; Q496-S498 PolarHBondContact O-N 3.14Å; Q496-S499 PolarHBondContact O-N 3.38Å; Q496-S499 PolarHBondContact O-OG 3.2Å
497	I	90.1	Very high	93.6	Very high	24 Å²	24	50.5 Å²	50.5	12%	0.123	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-69.1	-25.7	-175.6	72.5	-170.9	0	0	0	112.7	R484 F487 L488 K494 S499 I500	R484-I497 HydrophobicContact CB-CB 4.22Å; R484-I497 HydrophobicContact CG-CB 4Å; R484-I497 WeakPolarHBondContact CG-O 3.4Å; R484-I497 PolarHBondContact NE-O 3.13Å; F487-I497 HydrophobicContact CD1-CG2 4.11Å; L488-I497 HydrophobicContact CD1-CD1 4.49Å; L488-I497 HydrophobicContact CD1-CG2 4.3Å; L488-I497 HydrophobicContact CD2-CG2 3.62Å; L488-I497 HydrophobicContact CG-CG2 3.85Å; K494-I497 VanDerWaalsContact O-CG1 3.28Å; K494-I497 WeakPolarHBondContact O-CG1 3.38Å; I497-S499 VanDerWaalsContact C-N 3.26Å; I497-S499 PolarHBondContact O-N 2.86Å; I497-I500 PolarHBondContact O-N 3.19Å; I497-I500 VanDerWaalsContact O-N 3.14Å
498	S	88.2	Confident	93.7	Very high	93 Å²	93	50.5 Å²	50.5	65%	0.65	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-67	-25.6	-178.4	54.7	0	0	0	0	113.4	Q496	Q496-S498 VanDerWaalsContact C-N 3.26Å; Q496-S498 PolarHBondContact O-N 3.14Å
499	S	90.9	Very high	93.7	Very high	99 Å²	99	52.9 Å²	52.9	69%	0.692	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-83.1	-12.8	175.5	53.8	0	0	0	0	113.5	Q496 I497 K501	Q496-S499 PolarHBondContact O-N 3.38Å; Q496-S499 PolarHBondContact O-OG 3.2Å; I497-S499 VanDerWaalsContact C-N 3.26Å; I497-S499 PolarHBondContact O-N 2.86Å; S499-K501 PolarHBondContact O-N 3.11Å
500	I	95.3	Very high	93.8	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.021	29%	0.285	C	S	.	.			trans	-84.3	111.3	177.8	-57	173.7	0	0	0	107.5	A300 L301 A304 T480 A483 R484 F487 I497	A300-I500 HydrophobicContact CB-CG2 4.13Å; L301-I500 HydrophobicContact CD2-CD1 4.31Å; A304-I500 HydrophobicContact CB-CD1 3.88Å; A304-I500 HydrophobicContact CB-CG1 4.01Å; T480-I500 WeakPolarHBondContact CG2-O 3.39Å; A483-I500 HydrophobicContact CB-CG2 3.66Å; R484-I500 HydrophobicContact CG-CB 4.04Å; R484-I500 HydrophobicContact CG-CG2 4.21Å; R484-I500 PolarHBondContact NE-O 3Å; R484-I500 PolarHBondContact NH2-O 3.16Å; F487-I500 HydrophobicContact CB-CD1 3.74Å; F487-I500 HydrophobicContact CD1-CD1 3.9Å; F487-I500 HydrophobicContact CD2-CD1 3.94Å; F487-I500 HydrophobicContact CE1-CD1 4.49Å; F487-I500 HydrophobicContact CG-CD1 3.58Å; I497-I500 PolarHBondContact O-N 3.19Å; I497-I500 VanDerWaalsContact O-N 3.14Å
501	K	96.3	Very high	93.9	Very high	111 Å²	111	52.8 Å²	52.8	48%	0.483	29%	0.285	S	S	.	.			trans	-141.4	134.6	175.1	-173	178.9	175.5	-174.1	0	109.7	T480 S499 E504	T480-K501 HydrophobicContact CG2-CB 4.47Å; T480-K501 HydrophobicContact CG2-CG 4.41Å; S499-K501 PolarHBondContact O-N 3.11Å; K501-E504 IonicContact NZ-OE1 3.42Å; K501-E504 PolarHBondContact NZ-OE1 3.15Å
502	A	97.3	Very high	94	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.008	27%	0.271	C	S	.	.			trans	-78.3	141.1	171.4	0	0	0	0	0	110.9	A296 A300 A479 T480	A296-A502 HydrophobicContact CB-CB 4.35Å; A300-A502 HydrophobicContact CB-CB 4.13Å; A479-A502 HydrophobicContact CB-CB 3.8Å; T480-A502 PolarHBondContact OG1-N 3.37Å
503	D	97.4	Very high	94.2	Very high	72 Å²	72	51.1 Å²	51.1	39%	0.385	27%	0.265	S	S	.	.			trans	-82.2	122.8	-178.5	175.4	54.2	0	0	0	111.8	L505 T506 V507	D503-L505 VanDerWaalsContact C-N 3.33Å; D503-L505 PolarHBondContact O-N 2.82Å; D503-T506 PolarHBondContact O-N 2.88Å; D503-T506 VanDerWaalsContact OD2-CB 3.31Å; D503-T506 WeakPolarHBondContact OD2-CB 3.2Å; D503-T506 PolarHBondContact OD2-N 2.77Å; D503-T506 PolarHBondContact OD2-OG1 3.05Å; D503-V507 WeakPolarHBondContact O-CG2 3.37Å; D503-V507 PolarHBondContact O-N 2.04Å; D503-V507 VanDerWaalsContact O-N 3.13Å
504	E	97.4	Very high	94.5	Very high	54 Å²	54	44.1 Å²	44.1	25%	0.252	23%	0.234	S	C	.	.	H	α-helix	trans	-65.3	-35.8	-176.4	-64.3	164.5	-145.6	0	0	111.9	V468 A476 K501 V507 S508	V468-E504 HydrophobicContact CG1-CB 3.98Å; A476-E504 HydrophobicContact CB-CB 4.44Å; A476-E504 HydrophobicContact CB-CG 3.81Å; K501-E504 IonicContact NZ-OE1 3.42Å; K501-E504 PolarHBondContact NZ-OE1 3.15Å; E504-V507 PolarHBondContact O-N 2.78Å; E504-S508 PolarHBondContact O-N 3.35Å
505	L	97.6	Very high	94.9	Very high	53 Å²	53	38 Å²	38	28%	0.277	21%	0.208	S	C	.	.	H	α-helix	trans	-67.4	-44.7	178.2	177.7	62.4	0	0	0	111.2	N466 V468 D503 V507 S508 R509	N466-L505 HydrophobicContact CB-CD1 4.34Å; N466-L505 WeakPolarHBondContact O-CD1 3.47Å; V468-L505 HydrophobicContact CG2-CB 4.41Å; V468-L505 HydrophobicContact CG2-CD1 4.24Å; D503-L505 VanDerWaalsContact C-N 3.33Å; D503-L505 PolarHBondContact O-N 2.82Å; L505-V507 VanDerWaalsContact C-N 3.33Å; L505-V507 PolarHBondContact O-N 3.3Å; L505-S508 PolarHBondContact O-N 3.07Å; L505-R509 WeakPolarHBondContact O-CG 3.32Å; L505-R509 PolarHBondContact O-N 2.7Å
506	T	97.5	Very high	95.3	Very high	15 Å²	15	34.6 Å²	34.6	9%	0.092	19%	0.185	C	C	.	.	H	α-helix	trans	-61	-42.1	176.7	-57.8	0	0	0	0	111.2	D503 S508 R509 M510 W522 L564	D503-T506 PolarHBondContact O-N 2.88Å; D503-T506 VanDerWaalsContact OD2-CB 3.31Å; D503-T506 WeakPolarHBondContact OD2-CB 3.2Å; D503-T506 PolarHBondContact OD2-N 2.77Å; D503-T506 PolarHBondContact OD2-OG1 3.05Å; T506-S508 VanDerWaalsContact C-N 3.35Å; T506-S508 PolarHBondContact O-N 3.31Å; T506-R509 PolarHBondContact O-N 2.93Å; T506-M510 HydrophobicContact CG2-CE 4.18Å; T506-M510 WeakPolarHBondContact O-CG 2.95Å; T506-M510 PolarHBondContact O-N 3.21Å; T506-W522 HydrophobicContact CG2-CH2 4.24Å; T506-W522 HydrophobicContact CG2-CZ2 4.36Å; T506-L564 HydrophobicContact CG2-CD2 3.6Å
507	V	97.9	Very high	95.8	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-60.9	-44.3	174	174.9	0	0	0	0	111.2	I292 A296 A472 L475 A476 D503 E504 L505 R509 M510 L511	I292-V507 HydrophobicContact CG2-CG1 3.96Å; A296-V507 HydrophobicContact CB-CG2 3.59Å; A472-V507 HydrophobicContact CB-CB 4.49Å; A472-V507 HydrophobicContact CB-CG1 4.03Å; A472-V507 WeakPolarHBondContact O-CG1 3.27Å; L475-V507 HydrophobicContact CB-CG1 3.91Å; A476-V507 HydrophobicContact CB-CB 4.47Å; A476-V507 HydrophobicContact CB-CG2 3.95Å; D503-V507 WeakPolarHBondContact O-CG2 3.37Å; D503-V507 PolarHBondContact O-N 2.04Å; D503-V507 VanDerWaalsContact O-N 3.13Å; E504-V507 PolarHBondContact O-N 2.78Å; L505-V507 VanDerWaalsContact C-N 3.33Å; L505-V507 PolarHBondContact O-N 3.3Å; V507-R509 PolarHBondContact O-N 3.14Å; V507-M510 HydrophobicContact CG2-CE 4.34Å; V507-M510 PolarHBondContact O-N 3.47Å; V507-L511 HydrophobicContact CG1-CD1 4.25Å; V507-L511 PolarHBondContact O-N 2.8Å
508	S	97.1	Very high	96	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.7	-41.4	178.8	-155.4	0	0	0	0	112.6	H467 E504 L505 T506 M510 L511 Y512	H467-S508 WeakPolarHBondContact O-CB 3.48Å; H467-S508 PolarHBondContact O-OG 2.97Å; E504-S508 PolarHBondContact O-N 3.35Å; L505-S508 PolarHBondContact O-N 3.07Å; T506-S508 VanDerWaalsContact C-N 3.35Å; T506-S508 PolarHBondContact O-N 3.31Å; S508-M510 VanDerWaalsContact C-N 3.32Å; S508-M510 PolarHBondContact O-N 2.9Å; S508-L511 PolarHBondContact O-N 2.91Å; S508-Y512 WeakPolarHBondContact O-CB 3.04Å; S508-Y512 PolarHBondContact O-N 3.36Å
509	R	97.6	Very high	96.3	Very high	66 Å²	66	28.2 Å²	28.2	25%	0.249	15%	0.147	C	C	.	.	H	α-helix	trans	-62.4	-38.8	175.4	-71.9	178.4	173.5	175.2	-2.7	112.3	L465 N466 L505 T506 V507 S513 W522	L465-R509 HydrophobicContact CD1-CB 4Å; L465-R509 HydrophobicContact CD1-CG 3.92Å; L465-R509 HydrophobicContact CG-CG 4.09Å; L465-R509 VanDerWaalsContact O-CG 3.28Å; L465-R509 WeakPolarHBondContact O-CG 3.25Å; N466-R509 VanDerWaalsContact OD1-CZ 3.26Å; N466-R509 PolarHBondContact OD1-NE 3.36Å; N466-R509 PolarHBondContact OD1-NH2 3.16Å; L505-R509 WeakPolarHBondContact O-CG 3.32Å; L505-R509 PolarHBondContact O-N 2.7Å; T506-R509 PolarHBondContact O-N 2.93Å; V507-R509 PolarHBondContact O-N 3.14Å; R509-S513 VanDerWaalsContact O-CB 3.32Å; R509-S513 WeakPolarHBondContact O-CB 3.27Å; R509-S513 PolarHBondContact O-N 3.19Å; R509-S513 PolarHBondContact O-OG 3.03Å; R509-W522 HydrophobicContact CB-CD2 4.22Å; R509-W522 HydrophobicContact CB-CE3 3.56Å; R509-W522 HydrophobicContact CB-CH2 4.22Å; R509-W522 HydrophobicContact CB-CZ3 3.55Å; R509-W522 HydrophobicContact CG-CE3 4.49Å
510	M	97.8	Very high	96.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.5	-46.8	174.4	-71	-171	-73.4	0	0	111.3	I292 L295 A296 T506 V507 S508 Y512 S513 F514 W522 L560 L564	I292-M510 HydrophobicContact CD1-CB 4.36Å; I292-M510 HydrophobicContact CG1-CB 4.13Å; I292-M510 HydrophobicContact CG2-CB 4.01Å; I292-M510 HydrophobicContact CG2-CE 4Å; L295-M510 HydrophobicContact CB-CE 4.23Å; L295-M510 HydrophobicContact CB-SD 3.7Å; L295-M510 HydrophobicContact CD1-SD 3.93Å; L295-M510 HydrophobicContact CG-SD 4.46Å; A296-M510 HydrophobicContact CB-CE 3.9Å; T506-M510 HydrophobicContact CG2-CE 4.18Å; T506-M510 WeakPolarHBondContact O-CG 2.95Å; T506-M510 PolarHBondContact O-N 3.21Å; V507-M510 HydrophobicContact CG2-CE 4.34Å; V507-M510 PolarHBondContact O-N 3.47Å; S508-M510 VanDerWaalsContact C-N 3.32Å; S508-M510 PolarHBondContact O-N 2.9Å; M510-Y512 VanDerWaalsContact C-N 3.35Å; M510-Y512 PolarHBondContact O-N 2.71Å; M510-S513 PolarHBondContact O-N 2.92Å; M510-S513 VanDerWaalsContact O-N 3.14Å; M510-F514 VanDerWaalsContact O-CD2 3.29Å; M510-F514 WeakPolarHBondContact O-CD2 3.24Å; M510-F514 PolarHBondContact O-N 3.31Å; M510-W522 HydrophobicContact CG-CH2 3.6Å; M510-W522 HydrophobicContact CG-CZ3 3.72Å; M510-L560 HydrophobicContact CG-CD1 4.3Å; M510-L560 HydrophobicContact CG-CD2 4.25Å; M510-L564 HydrophobicContact CE-CD1 4.44Å; M510-L564 HydrophobicContact SD-CD1 3.85Å
511	L	96.8	Very high	96.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-56.6	-48.2	176	-80.3	167.8	0	0	0	111.7	I292 A472 L475 V507 S508 S513 F514 L515	I292-L511 HydrophobicContact CD1-CB 4.4Å; I292-L511 HydrophobicContact CD1-CD2 3.54Å; I292-L511 HydrophobicContact CD1-CG 3.86Å; A472-L511 HydrophobicContact CB-CD1 3.75Å; L475-L511 HydrophobicContact CD1-CD1 4.17Å; L475-L511 HydrophobicContact CD1-CD2 4.02Å; L475-L511 HydrophobicContact CD1-CG 4.41Å; V507-L511 HydrophobicContact CG1-CD1 4.25Å; V507-L511 PolarHBondContact O-N 2.8Å; S508-L511 PolarHBondContact O-N 2.91Å; L511-S513 VanDerWaalsContact C-N 3.32Å; L511-S513 PolarHBondContact O-N 2.79Å; L511-F514 PolarHBondContact O-N 2.83Å; L511-L515 HydrophobicContact CD2-CD1 3.87Å; L511-L515 VanDerWaalsContact O-CB 3.3Å; L511-L515 WeakPolarHBondContact O-CB 3.45Å; L511-L515 WeakPolarHBondContact O-CG 3.08Å; L511-L515 PolarHBondContact O-N 3.43Å
512	Y	96.9	Very high	96.3	Very high	11 Å²	11	21.2 Å²	21.2	4%	0.043	11%	0.108	C	C	.	.	H	α-helix	trans	-58.9	-44.2	176.2	-177.5	-87.6	0	0	0	111.7	Y455 Q464 L465 S508 M510 F514 I516 S517 N520	Y455-Y512 HydrophobicContact CE1-CD2 4.34Å; Y455-Y512 HydrophobicContact CE2-CD2 4.15Å; Y455-Y512 AromaticContact CZ-CD2 3.8Å; Q464-Y512 HydrophobicContact CB-CD2 4.17Å; Q464-Y512 HydrophobicContact CB-CE2 3.61Å; L465-Y512 HydrophobicContact CB-CD1 4.15Å; L465-Y512 HydrophobicContact CB-CE1 4.24Å; L465-Y512 HydrophobicContact CB-CG 4.44Å; L465-Y512 HydrophobicContact CD1-CD1 3.53Å; L465-Y512 HydrophobicContact CD1-CE1 4.23Å; L465-Y512 HydrophobicContact CD1-CG 4.04Å; L465-Y512 HydrophobicContact CG-CD1 4.44Å; S508-Y512 WeakPolarHBondContact O-CB 3.04Å; S508-Y512 PolarHBondContact O-N 3.36Å; M510-Y512 VanDerWaalsContact C-N 3.35Å; M510-Y512 PolarHBondContact O-N 2.71Å; Y512-F514 PolarHBondContact O-N 3.14Å; Y512-I516 HydrophobicContact CD2-CB 3.83Å; Y512-I516 HydrophobicContact CD2-CG1 3.93Å; Y512-I516 HydrophobicContact CD2-CG2 4.07Å; Y512-I516 HydrophobicContact CE2-CB 3.87Å; Y512-I516 HydrophobicContact CE2-CG1 4.3Å; Y512-I516 HydrophobicContact CE2-CG2 3.59Å; Y512-I516 HydrophobicContact CG-CB 4.25Å; Y512-I516 WeakPolarHBondContact O-CA 3.45Å; Y512-I516 WeakPolarHBondContact O-CB 3.49Å; Y512-I516 PolarHBondContact O-N 2.94Å; Y512-S517 PolarHBondContact O-N 3.1Å; Y512-N520 HydrophobicContact CE1-CB 4.11Å
513	S	96.8	Very high	96.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-66.3	-34.5	-177.2	-59.8	0	0	0	0	113.5	R509 M510 L511 S517 S518 N520 T523	R509-S513 VanDerWaalsContact O-CB 3.32Å; R509-S513 WeakPolarHBondContact O-CB 3.27Å; R509-S513 PolarHBondContact O-N 3.19Å; R509-S513 PolarHBondContact O-OG 3.03Å; M510-S513 PolarHBondContact O-N 2.92Å; M510-S513 VanDerWaalsContact O-N 3.14Å; L511-S513 VanDerWaalsContact C-N 3.32Å; L511-S513 PolarHBondContact O-N 2.79Å; S513-S517 WeakPolarHBondContact CA-O 3.27Å; S513-S517 CarbonylContact O-C 3.55Å; S513-S518 WeakPolarHBondContact O-CA 3.48Å; S513-S518 PolarHBondContact O-N 2.62Å; S513-N520 PolarHBondContact OG-ND2 2.88Å; S513-T523 WeakPolarHBondContact OG-CG2 3.45Å
514	F	96.5	Very high	95.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-86.1	-39.7	177.4	-77	-72.3	0	0	0	112.8	L291 I292 L295 M510 L511 Y512 V540 F542 L556 A557 L560	L291-F514 HydrophobicContact CD2-CE1 3.97Å; L291-F514 HydrophobicContact CD2-CE2 4.21Å; L291-F514 HydrophobicContact CD2-CZ 3.81Å; I292-F514 HydrophobicContact CD1-CD2 4.02Å; I292-F514 HydrophobicContact CG1-CD2 4.03Å; I292-F514 HydrophobicContact CG1-CE2 4.35Å; L295-F514 HydrophobicContact CD1-CE2 4.33Å; M510-F514 VanDerWaalsContact O-CD2 3.29Å; M510-F514 WeakPolarHBondContact O-CD2 3.24Å; M510-F514 PolarHBondContact O-N 3.31Å; L511-F514 PolarHBondContact O-N 2.83Å; Y512-F514 PolarHBondContact O-N 3.14Å; F514-V540 HydrophobicContact CD1-CB 4.46Å; F514-V540 HydrophobicContact CD1-CG1 4.48Å; F514-V540 HydrophobicContact CD1-CG2 4.28Å; F514-V540 WeakPolarHBondContact O-CB 3.34Å; F514-V540 WeakPolarHBondContact O-CG2 3.02Å; F514-V540 PolarHBondContact O-N 2.85Å; F514-F542 HydrophobicContact CB-CZ 4.11Å; F514-F542 HydrophobicContact CD1-CE1 4.04Å; F514-F542 HydrophobicContact CD1-CE2 4.45Å; F514-F542 AromaticContact CD1-CZ 3.53Å; F514-F542 HydrophobicContact CD1-CZ 3.53Å; F514-F542 HydrophobicContact CE1-CE1 4.31Å; F514-F542 HydrophobicContact CE1-CZ 4.24Å; F514-F542 HydrophobicContact CG-CZ 4.06Å; F514-L556 HydrophobicContact CD1-CD1 4.24Å; F514-L556 HydrophobicContact CE1-CB 3.82Å; F514-L556 HydrophobicContact CE1-CD1 4.08Å; F514-L556 HydrophobicContact CZ-CB 3.93Å; F514-A557 HydrophobicContact CZ-CB 4.42Å; F514-L560 HydrophobicContact CD2-CD1 4.5Å; F514-L560 HydrophobicContact CE2-CD1 3.48Å; F514-L560 VanDerWaalsContact CE2-CD1 3.48Å; F514-L560 HydrophobicContact CZ-CD1 3.76Å
515	L	95.6	Very high	95.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-99.3	-24.4	-167.3	-56.5	-176.8	0	0	0	114.6	A284 A288 A448 L451 V453 L511 T539	A284-L515 HydrophobicContact CB-CD1 4.07Å; A284-L515 HydrophobicContact CB-CD2 3.78Å; A288-L515 HydrophobicContact CB-CD2 3.87Å; A448-L515 HydrophobicContact CB-CB 4.05Å; L451-L515 HydrophobicContact CD1-CD1 4.47Å; V453-L515 HydrophobicContact CG2-CD1 4.33Å; L511-L515 HydrophobicContact CD2-CD1 3.87Å; L511-L515 VanDerWaalsContact O-CB 3.3Å; L511-L515 WeakPolarHBondContact O-CB 3.45Å; L511-L515 WeakPolarHBondContact O-CG 3.08Å; L511-L515 PolarHBondContact O-N 3.43Å; L515-T539 WeakPolarHBondContact O-CB 3.41Å; L515-T539 WeakPolarHBondContact O-CG2 3.19Å; L515-T539 PolarHBondContact O-OG1 2.91Å
516	I	94.9	Very high	95.6	Very high	45 Å²	45	18.2 Å²	18.2	23%	0.231	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-63.4	-175.3	-52.2	-61.1	0	0	0	111.4	A448 Y455 Y512 N538	A448-I516 HydrophobicContact CB-CD1 3.65Å; Y455-I516 HydrophobicContact CE2-CD1 4.02Å; Y455-I516 HydrophobicContact CE2-CG1 3.74Å; Y512-I516 HydrophobicContact CD2-CB 3.83Å; Y512-I516 HydrophobicContact CD2-CG1 3.93Å; Y512-I516 HydrophobicContact CD2-CG2 4.07Å; Y512-I516 HydrophobicContact CE2-CB 3.87Å; Y512-I516 HydrophobicContact CE2-CG1 4.3Å; Y512-I516 HydrophobicContact CE2-CG2 3.59Å; Y512-I516 HydrophobicContact CG-CB 4.25Å; Y512-I516 WeakPolarHBondContact O-CA 3.45Å; Y512-I516 WeakPolarHBondContact O-CB 3.49Å; Y512-I516 PolarHBondContact O-N 2.94Å; I516-N538 CarbonylContact O-C 3.4Å; I516-N538 VanDerWaalsContact O-C 3.32Å
517	S	95	Very high	95.4	Very high	11 Å²	11	17.5 Å²	17.5	8%	0.077	9%	0.085	C	C	.	.			trans	-151.1	113.6	-177.4	179.5	0	0	0	0	111.3	Y512 S513 N519 N520 N537	Y512-S517 PolarHBondContact O-N 3.1Å; S513-S517 WeakPolarHBondContact CA-O 3.27Å; S513-S517 CarbonylContact O-C 3.55Å; S517-N519 VanDerWaalsContact C-N 3.26Å; S517-N519 PolarHBondContact O-N 2.89Å; S517-N519 PolarHBondContact OG-N 2.98Å; S517-N519 PolarHBondContact OG-O 3.33Å; S517-N519 VanDerWaalsContact OG-O 3.07Å; S517-N520 PolarHBondContact O-ND2 3.46Å; S517-N537 WeakPolarHBondContact OG-CA 3.37Å
518	S	94.6	Very high	95.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-70.2	-23.5	173.2	64.7	0	0	0	0	113.2	S513 N520 T523 N536	S513-S518 WeakPolarHBondContact O-CA 3.48Å; S513-S518 PolarHBondContact O-N 2.62Å; S518-N520 PolarHBondContact O-N 3.31Å; S518-T523 VanDerWaalsContact O-CB 3.3Å; S518-T523 WeakPolarHBondContact O-CB 3.46Å; S518-T523 PolarHBondContact O-OG1 3.02Å; S518-N536 PolarHBondContact N-O 3.07Å; S518-N536 PolarHBondContact OG-N 3.29Å; S518-N536 PolarHBondContact OG-O 3.26Å
519	N	95.1	Very high	94.7	Very high	49 Å²	49	20.6 Å²	20.6	26%	0.262	11%	0.106	S	C	.	.	S	Bend	trans	-91.7	91.1	175.9	-174.7	23.4	0	0	0	110.1	S517 Q524 L535 N536 N537	S517-N519 VanDerWaalsContact C-N 3.26Å; S517-N519 PolarHBondContact O-N 2.89Å; S517-N519 PolarHBondContact OG-N 2.98Å; S517-N519 PolarHBondContact OG-O 3.33Å; S517-N519 VanDerWaalsContact OG-O 3.07Å; N519-Q524 PolarHBondContact OD1-NE2 2.87Å; N519-L535 HydrophobicContact CB-CB 3.88Å; N519-N536 WeakPolarHBondContact CB-O 3.39Å; N519-N536 PolarHBondContact N-O 3.34Å; N519-N537 VanDerWaalsContact CB-OD1 3.31Å; N519-N537 WeakPolarHBondContact CB-OD1 3.28Å; N519-N537 PolarHBondContact ND2-OD1 3.11Å
520	N	93.9	Very high	94.3	Very high	13 Å²	13	24.7 Å²	24.7	7%	0.07	13%	0.126	C	C	.	.	S	Bend	trans	-140.2	171.2	-179.5	65	65.9	0	0	0	111	L465 Y512 S513 S517 S518 W522 T523 Q524	L465-N520 HydrophobicContact CD2-CB 4.24Å; Y512-N520 HydrophobicContact CE1-CB 4.11Å; S513-N520 PolarHBondContact OG-ND2 2.88Å; S517-N520 PolarHBondContact O-ND2 3.46Å; S518-N520 PolarHBondContact O-N 3.31Å; N520-W522 VanDerWaalsContact C-N 3.32Å; N520-W522 PolarHBondContact O-N 3.24Å; N520-W522 PolarHBondContact OD1-N 3.36Å; N520-W522 VanDerWaalsContact OD1-N 3.15Å; N520-T523 PolarHBondContact N-OG1 3.13Å; N520-T523 VanDerWaalsContact N-OG1 3.12Å; N520-T523 PolarHBondContact O-N 3.25Å; N520-T523 PolarHBondContact O-OG1 3.1Å; N520-T523 VanDerWaalsContact O-OG1 3.14Å; N520-T523 PolarHBondContact OD1-N 2.99Å; N520-T523 PolarHBondContact OD1-OG1 3.32Å; N520-Q524 WeakPolarHBondContact O-CB 3.33Å; N520-Q524 WeakPolarHBondContact O-CG 3.49Å; N520-Q524 PolarHBondContact O-N 2.91Å
521	S	93	Very high	94	Very high	32 Å²	32	25.8 Å²	25.8	22%	0.224	13%	0.132	C	C	.	.	H	α-helix	trans	-56.2	-45.7	-176.6	53.2	0	0	0	0	111.9	E462 L465 E525	E462-S521 VanDerWaalsContact CD-OG 3.27Å; E462-S521 PolarHBondContact OE1-OG 3.48Å; E462-S521 VanDerWaalsContact OE2-CB 3.23Å; E462-S521 WeakPolarHBondContact OE2-CB 3.37Å; E462-S521 PolarHBondContact OE2-OG 2.99Å; L465-S521 WeakPolarHBondContact CD2-OG 3.39Å; S521-E525 VanDerWaalsContact O-CG 3.26Å; S521-E525 WeakPolarHBondContact O-CG 3.39Å; S521-E525 PolarHBondContact O-N 3.31Å
522	W	94.9	Very high	93.6	Very high	22 Å²	22	27.7 Å²	27.7	8%	0.083	14%	0.141	C	C	.	.	H	α-helix	trans	-69.3	-43.6	-177.9	-176.2	49.4	0	0	0	113.5	L465 T506 R509 M510 N520 E525 I526 L560	L465-W522 HydrophobicContact CD2-CB 4.1Å; T506-W522 HydrophobicContact CG2-CH2 4.24Å; T506-W522 HydrophobicContact CG2-CZ2 4.36Å; R509-W522 HydrophobicContact CB-CD2 4.22Å; R509-W522 HydrophobicContact CB-CE3 3.56Å; R509-W522 HydrophobicContact CB-CH2 4.22Å; R509-W522 HydrophobicContact CB-CZ3 3.55Å; R509-W522 HydrophobicContact CG-CE3 4.49Å; M510-W522 HydrophobicContact CG-CH2 3.6Å; M510-W522 HydrophobicContact CG-CZ3 3.72Å; N520-W522 VanDerWaalsContact C-N 3.32Å; N520-W522 PolarHBondContact O-N 3.24Å; N520-W522 PolarHBondContact OD1-N 3.36Å; N520-W522 VanDerWaalsContact OD1-N 3.15Å; W522-E525 WeakPolarHBondContact O-CB 3.41Å; W522-E525 PolarHBondContact O-N 3.22Å; W522-I526 PolarHBondContact O-N 2.94Å; W522-L560 HydrophobicContact CE3-CD2 4.21Å; W522-L560 HydrophobicContact CH2-CD2 3.25Å; W522-L560 HydrophobicContact CZ2-CD2 3.83Å; W522-L560 HydrophobicContact CZ3-CD2 3.46Å; W522-L560 VanDerWaalsContact CZ3-CD2 3.46Å
523	T	94.6	Very high	93.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-67.6	-38	177.7	53.2	0	0	0	0	111.7	S513 S518 N520 E525 I526 V527 L556	S513-T523 WeakPolarHBondContact OG-CG2 3.45Å; S518-T523 VanDerWaalsContact O-CB 3.3Å; S518-T523 WeakPolarHBondContact O-CB 3.46Å; S518-T523 PolarHBondContact O-OG1 3.02Å; N520-T523 PolarHBondContact N-OG1 3.13Å; N520-T523 VanDerWaalsContact N-OG1 3.12Å; N520-T523 PolarHBondContact O-N 3.25Å; N520-T523 PolarHBondContact O-OG1 3.1Å; N520-T523 VanDerWaalsContact O-OG1 3.14Å; N520-T523 PolarHBondContact OD1-N 2.99Å; N520-T523 PolarHBondContact OD1-OG1 3.32Å; T523-E525 PolarHBondContact O-N 3.17Å; T523-I526 WeakPolarHBondContact O-CG1 3.33Å; T523-I526 PolarHBondContact O-N 3.35Å; T523-V527 WeakPolarHBondContact O-CB 3.39Å; T523-V527 WeakPolarHBondContact O-CG2 3.22Å; T523-V527 PolarHBondContact O-N 3.32Å; T523-V527 VanDerWaalsContact O-N 3.1Å; T523-L556 HydrophobicContact CG2-CD2 4.1Å
524	Q	93.3	Very high	92.8	Very high	48 Å²	48	35.6 Å²	35.6	22%	0.224	19%	0.187	C	C	.	.	H	α-helix	trans	-60.7	-31.1	174.6	-73.6	176.9	14.4	0	0	112.6	N519 N520 L535 Q598	N519-Q524 PolarHBondContact OD1-NE2 2.87Å; N520-Q524 WeakPolarHBondContact O-CB 3.33Å; N520-Q524 WeakPolarHBondContact O-CG 3.49Å; N520-Q524 PolarHBondContact O-N 2.91Å; Q524-L535 HydrophobicContact CG-CD1 4.22Å; Q524-Q598 WeakPolarHBondContact O-CB 3.44Å
525	E	92.9	Very high	92.6	Very high	61 Å²	61	36.3 Å²	36.3	29%	0.285	19%	0.191	S	C	.	.	H	α-helix	trans	-69.5	-36.3	178.4	-73	174.2	-176	0	0	113.4	S521 W522 T523 G599 A600	S521-E525 VanDerWaalsContact O-CG 3.26Å; S521-E525 WeakPolarHBondContact O-CG 3.39Å; S521-E525 PolarHBondContact O-N 3.31Å; W522-E525 WeakPolarHBondContact O-CB 3.41Å; W522-E525 PolarHBondContact O-N 3.22Å; T523-E525 PolarHBondContact O-N 3.17Å; E525-G599 WeakPolarHBondContact O-CA 3.1Å; E525-G599 PolarHBondContact O-N 2.8Å; E525-A600 HydrophobicContact CG-CB 4.19Å
526	I	94.3	Very high	92.4	Very high	8 Å²	8	39 Å²	39	4%	0.041	21%	0.205	C	C	.	.	H	α-helix	trans	-98.8	-14.9	-169.7	66.9	175.3	0	0	0	113.1	W522 T523 Y559 L560 N563 V597	W522-I526 PolarHBondContact O-N 2.94Å; T523-I526 WeakPolarHBondContact O-CG1 3.33Å; T523-I526 PolarHBondContact O-N 3.35Å; I526-Y559 WeakPolarHBondContact O-CD1 3.22Å; I526-L560 HydrophobicContact CD1-CD2 3.52Å; I526-L560 HydrophobicContact CD1-CG 3.99Å; I526-N563 HydrophobicContact CB-CB 4.44Å; I526-N563 HydrophobicContact CG2-CB 4.14Å; I526-N563 WeakPolarHBondContact CG2-ND2 2.95Å; I526-V597 WeakPolarHBondContact O-CG1 3.42Å
527	V	93.9	Very high	92.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-86.8	146.8	-179.1	174.4	0	0	0	0	110.5	T523 D531 I532 Y559 Q598	T523-V527 WeakPolarHBondContact O-CB 3.39Å; T523-V527 WeakPolarHBondContact O-CG2 3.22Å; T523-V527 PolarHBondContact O-N 3.32Å; T523-V527 VanDerWaalsContact O-N 3.1Å; V527-D531 HydrophobicContact CG1-CB 3.73Å; V527-I532 HydrophobicContact CB-CG1 4.5Å; V527-I532 HydrophobicContact CG1-CG1 4.06Å; V527-Y559 HydrophobicContact CB-CD2 4.45Å; V527-Y559 HydrophobicContact CG1-CD2 4.34Å; V527-Y559 HydrophobicContact CG1-CE2 4.14Å; V527-Y559 HydrophobicContact CG2-CD2 3.95Å; V527-Y559 HydrophobicContact CG2-CG 4.12Å; V527-Q598 PolarHBondContact O-N 3.14Å
528	A	92.1	Very high	91.7	Very high	8 Å²	8	46.3 Å²	46.3	7%	0.066	24%	0.244	C	C	.	.			trans	-69.9	149	175.2	0	0	0	0	0	111.2	K530 D531 Y559 W596	A528-K530 HydrophobicContact CB-CG 4.15Å; A528-K530 PolarHBondContact O-N 3.34Å; A528-D531 PolarHBondContact O-N 3Å; A528-Y559 HydrophobicContact CB-CE1 4.04Å; A528-Y559 WeakPolarHBondContact CB-OH 3.33Å; A528-W596 WeakPolarHBondContact CB-O 3.42Å
529	P	88.8	Confident	91.5	Very high	58 Å²	58	49 Å²	49	38%	0.377	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-32.6	-177.9	-26.2	29.6	0	0	0	115.4	Q598	P529-Q598 HydrophobicContact CB-CG 4.3Å; P529-Q598 HydrophobicContact CG-CG 3.8Å
530	K	88.9	Confident	91.4	Very high	153 Å²	153	46.7 Å²	46.7	67%	0.665	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-26.9	-179.3	55.8	162	-166.8	172.8	0	113.9	A528	A528-K530 HydrophobicContact CB-CG 4.15Å; A528-K530 PolarHBondContact O-N 3.34Å
531	D	90.7	Very high	91.4	Very high	22 Å²	22	48.4 Å²	48.4	12%	0.118	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-1	-169.8	-60.2	-26.9	0	0	0	112.1	V527 A528 V533 H534 I555 Y559	V527-D531 HydrophobicContact CG1-CB 3.73Å; A528-D531 PolarHBondContact O-N 3Å; D531-V533 PolarHBondContact O-N 3.34Å; D531-H534 WeakPolarHBondContact O-CB 3.4Å; D531-H534 PolarHBondContact O-CD2 2.95Å; D531-H534 PolarHBondContact O-N 3.12Å; D531-H534 VanDerWaalsContact O-N 3.14Å; D531-I555 HydrophobicContact CB-CG2 4.32Å; D531-Y559 HydrophobicContact CB-CE2 4.32Å; D531-Y559 WeakPolarHBondContact OD2-CE2 3.22Å; D531-Y559 PolarHBondContact OD2-OH 2.96Å
532	I	88.4	Confident	91.5	Very high	40 Å²	40	46.9 Å²	46.9	21%	0.205	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-65.8	-29.6	-180	-73.5	168.6	0	0	0	112.6	V527 H534 L535 Q598	V527-I532 HydrophobicContact CB-CG1 4.5Å; V527-I532 HydrophobicContact CG1-CG1 4.06Å; I532-H534 PolarHBondContact O-N 3.43Å; I532-H534 VanDerWaalsContact O-N 3.09Å; I532-L535 WeakPolarHBondContact O-CB 3.34Å; I532-L535 PolarHBondContact O-N 3.21Å; I532-Q598 HydrophobicContact CD1-CG 3.8Å
533	V	89.6	Confident	91.5	Very high	122 Å²	122	46.5 Å²	46.5	74%	0.739	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-61	-17.6	176.2	-61.3	0	0	0	0	112.8	D531	D531-V533 PolarHBondContact O-N 3.34Å
534	H	88.4	Confident	91.4	Very high	56 Å²	56	46.5 Å²	46.5	26%	0.259	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-85.5	-19.5	176.6	-56.8	-60.8	0	0	0	113.2	D531 I532 Q549 L552 I555	D531-H534 WeakPolarHBondContact O-CB 3.4Å; D531-H534 PolarHBondContact O-CD2 2.95Å; D531-H534 PolarHBondContact O-N 3.12Å; D531-H534 VanDerWaalsContact O-N 3.14Å; I532-H534 PolarHBondContact O-N 3.43Å; I532-H534 VanDerWaalsContact O-N 3.09Å; H534-Q549 PolarHBondContact CE1-OE1 3.33Å; H534-L552 HydrophobicContact CB-CD1 4.34Å; H534-I555 HydrophobicContact CB-CD1 4.32Å
535	L	91.5	Very high	90.9	Very high	15 Å²	15	46.8 Å²	46.8	8%	0.079	25%	0.252	C	S	.	.			trans	-70.3	139.5	178.4	-57.1	-177.1	0	0	0	110.1	N519 Q524 I532 L552 L556	N519-L535 HydrophobicContact CB-CB 3.88Å; Q524-L535 HydrophobicContact CG-CD1 4.22Å; I532-L535 WeakPolarHBondContact O-CB 3.34Å; I532-L535 PolarHBondContact O-N 3.21Å; L535-L552 HydrophobicContact CD2-CD1 3.94Å; L535-L556 HydrophobicContact CD2-CD2 3.76Å
536	N	90.6	Very high	90.6	Very high	55 Å²	55	45.2 Å²	45.2	29%	0.294	25%	0.247	S	C	.	.			trans	-140.5	164.2	179.6	65.6	58.2	0	0	0	111.9	S518 N519 N538 L552	S518-N536 PolarHBondContact N-O 3.07Å; S518-N536 PolarHBondContact OG-N 3.29Å; S518-N536 PolarHBondContact OG-O 3.26Å; N519-N536 WeakPolarHBondContact CB-O 3.39Å; N519-N536 PolarHBondContact N-O 3.34Å; N536-N538 PolarHBondContact O-N 2.62Å; N536-N538 PolarHBondContact OD1-N 2.96Å; N536-N538 PolarHBondContact OD1-O 2.69Å; N536-N538 VanDerWaalsContact OD1-O 3.05Å; N536-L552 WeakPolarHBondContact ND2-CD2 3.49Å
537	N	90	Very high	89.6	Confident	107 Å²	107	47.5 Å²	47.5	57%	0.572	26%	0.257	S	S	*	.	S	Bend	trans	-87.6	15.9	-178.1	-62.5	-3.1	0	0	0	113.2	S517 N519	S517-N537 WeakPolarHBondContact OG-CA 3.37Å; N519-N537 VanDerWaalsContact CB-OD1 3.31Å; N519-N537 WeakPolarHBondContact CB-OD1 3.28Å; N519-N537 PolarHBondContact ND2-OD1 3.11Å
538	N	87	Confident	88.4	Confident	103 Å²	103	55.2 Å²	55.2	55%	0.551	29%	0.293	S	S	*	.	S	Bend	trans	-112.9	169.5	-179.1	-61.5	-33	0	0	0	109.8	I516 N536	I516-N538 CarbonylContact O-C 3.4Å; I516-N538 VanDerWaalsContact O-C 3.32Å; N536-N538 PolarHBondContact O-N 2.62Å; N536-N538 PolarHBondContact OD1-N 2.96Å; N536-N538 PolarHBondContact OD1-O 2.69Å; N536-N538 VanDerWaalsContact OD1-O 3.05Å
539	T	89.2	Confident	87.7	Confident	57 Å²	57	61.3 Å²	61.3	35%	0.35	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-56.6	137.9	167.7	-53.9	0	0	0	0	110.7	P282 L515 N541	P282-T539 HydrophobicContact CB-CG2 3.77Å; L515-T539 WeakPolarHBondContact O-CB 3.41Å; L515-T539 WeakPolarHBondContact O-CG2 3.19Å; L515-T539 PolarHBondContact O-OG1 2.91Å; T539-N541 PolarHBondContact O-N 3.43Å
540	V	93.3	Very high	87.6	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.006	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-66	134.2	177.5	176.5	0	0	0	0	109.8	F514 F542 L552 P553 L556	F514-V540 HydrophobicContact CD1-CB 4.46Å; F514-V540 HydrophobicContact CD1-CG1 4.48Å; F514-V540 HydrophobicContact CD1-CG2 4.28Å; F514-V540 WeakPolarHBondContact O-CB 3.34Å; F514-V540 WeakPolarHBondContact O-CG2 3.02Å; F514-V540 PolarHBondContact O-N 2.85Å; V540-F542 HydrophobicContact CB-CE2 4.24Å; V540-F542 HydrophobicContact CG1-CD2 4.43Å; V540-F542 HydrophobicContact CG1-CE2 4.31Å; V540-L552 HydrophobicContact CG1-CD2 4.33Å; V540-L552 HydrophobicContact CG1-CG 4.25Å; V540-L552 HydrophobicContact CG2-CD2 3.99Å; V540-L552 HydrophobicContact CG2-CG 4.32Å; V540-P553 HydrophobicContact CG1-CB 3.83Å; V540-P553 HydrophobicContact CG1-CG 4.19Å; V540-L556 HydrophobicContact CG2-CD1 3.75Å
541	N	93.6	Very high	87.7	Confident	48 Å²	48	53.7 Å²	53.7	26%	0.257	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-87.6	116.5	170.7	-176.2	13.7	0	0	0	109.7	S278 E279 G281 T539 Y543 P553	S278-N541 PolarHBondContact O-ND2 2.74Å; S278-N541 VanDerWaalsContact O-ND2 3.12Å; E279-N541 WeakPolarHBondContact CA-ND2 3.31Å; G281-N541 WeakPolarHBondContact CA-OD1 3.28Å; G281-N541 PolarHBondContact N-OD1 2.85Å; T539-N541 PolarHBondContact O-N 3.43Å; N541-Y543 VanDerWaalsContact C-N 3.3Å; N541-Y543 VanDerWaalsContact OD1-CB 3.27Å; N541-Y543 WeakPolarHBondContact OD1-CB 3.47Å; N541-Y543 PolarHBondContact OD1-N 3Å; N541-Y543 VanDerWaalsContact OD1-N 3.09Å; N541-P553 WeakPolarHBondContact O-CD 3.29Å
542	F	95.6	Very high	87.8	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.29	C	S	.	.			trans	-87	8.8	178.2	-70	-92.5	0	0	0	113.7	L271 D272 S273 G281 P282 A287 A288 L291 F514 V540 I544 P553	L271-F542 WeakPolarHBondContact O-CD1 3.05Å; D272-F542 CarbonylContact C-O 3.39Å; D272-F542 VanDerWaalsContact CA-O 3.25Å; D272-F542 WeakPolarHBondContact CA-O 3.35Å; D272-F542 WeakPolarHBondContact CB-O 3.5Å; S273-F542 PolarHBondContact N-O 3.49Å; S273-F542 CarbonylContact O-C 3.55Å; S273-F542 VanDerWaalsContact O-O 3.14Å; G281-F542 WeakPolarHBondContact O-CB 3.43Å; G281-F542 PolarHBondContact O-N 3.27Å; P282-F542 WeakPolarHBondContact O-CD2 3.23Å; P282-F542 WeakPolarHBondContact O-CE2 3.37Å; A287-F542 HydrophobicContact CB-CD1 4.01Å; A287-F542 HydrophobicContact CB-CE1 4.33Å; A287-F542 HydrophobicContact CB-CG 4.26Å; A288-F542 HydrophobicContact CB-CE2 4.26Å; A288-F542 HydrophobicContact CB-CZ 3.9Å; L291-F542 HydrophobicContact CD2-CE1 3.82Å; L291-F542 HydrophobicContact CD2-CZ 4.42Å; F514-F542 HydrophobicContact CB-CZ 4.11Å; F514-F542 HydrophobicContact CD1-CE1 4.04Å; F514-F542 HydrophobicContact CD1-CE2 4.45Å; F514-F542 AromaticContact CD1-CZ 3.53Å; F514-F542 HydrophobicContact CD1-CZ 3.53Å; F514-F542 HydrophobicContact CE1-CE1 4.31Å; F514-F542 HydrophobicContact CE1-CZ 4.24Å; F514-F542 HydrophobicContact CG-CZ 4.06Å; V540-F542 HydrophobicContact CB-CE2 4.24Å; V540-F542 HydrophobicContact CG1-CD2 4.43Å; V540-F542 HydrophobicContact CG1-CE2 4.31Å; F542-I544 PolarHBondContact O-N 3.3Å; F542-P553 HydrophobicContact CD1-CB 3.64Å; F542-P553 HydrophobicContact CD1-CG 4.29Å; F542-P553 HydrophobicContact CE1-CB 3.79Å; F542-P553 HydrophobicContact CG-CB 4.39Å
543	Y	94.3	Very high	88.1	Confident	15 Å²	15	51.9 Å²	51.9	6%	0.059	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-64.5	126	175.8	177.9	-108.5	0	0	0	112.3	L43 S273 R274 F324 N541 S545 E642	L43-Y543 WeakPolarHBondContact CD2-OH 3.39Å; S273-Y543 VanDerWaalsContact O-CA 3.31Å; S273-Y543 WeakPolarHBondContact O-CA 3.17Å; R274-Y543 HydrophobicContact CB-CD2 4.25Å; F324-Y543 HydrophobicContact CE2-CD2 4.15Å; F324-Y543 AromaticContact CE2-CE2 3.84Å; F324-Y543 HydrophobicContact CE2-CE2 3.84Å; F324-Y543 HydrophobicContact CZ-CD2 4.33Å; F324-Y543 AromaticContact CZ-CE2 3.71Å; F324-Y543 HydrophobicContact CZ-CE2 3.71Å; N541-Y543 VanDerWaalsContact C-N 3.3Å; N541-Y543 VanDerWaalsContact OD1-CB 3.27Å; N541-Y543 WeakPolarHBondContact OD1-CB 3.47Å; N541-Y543 PolarHBondContact OD1-N 3Å; N541-Y543 VanDerWaalsContact OD1-N 3.09Å; Y543-S545 PolarHBondContact O-N 2.84Å; Y543-S545 VanDerWaalsContact O-N 3.16Å; Y543-E642 WeakPolarHBondContact CE1-OE2 3.5Å; Y543-E642 PolarHBondContact OH-OE1 3.46Å; Y543-E642 PolarHBondContact OH-OE2 2.94Å
544	I	92.1	Very high	88.4	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.			trans	-70.8	107	168.8	-169.1	170.9	0	0	0	108.8	L239 D241 H320 F324 I327 F542	L239-I544 HydrophobicContact CB-CG2 4.47Å; L239-I544 HydrophobicContact CD1-CG2 4.28Å; D241-I544 HydrophobicContact CB-CD1 4.32Å; D241-I544 HydrophobicContact CB-CG1 4.04Å; H320-I544 VanDerWaalsContact CE1-CA 3.42Å; H320-I544 WeakPolarHBondContact CE1-CA 3.47Å; H320-I544 WeakPolarHBondContact CE1-CB 3.47Å; H320-I544 VanDerWaalsContact ND1-CB 3.34Å; H320-I544 WeakPolarHBondContact ND1-CB 3.4Å; H320-I544 WeakPolarHBondContact ND1-CG1 3.38Å; F324-I544 HydrophobicContact CD2-CG2 3.25Å; F324-I544 HydrophobicContact CE2-CG2 3.59Å; F324-I544 HydrophobicContact CG-CG2 4.29Å; I327-I544 HydrophobicContact CD1-CD1 4.26Å; I327-I544 HydrophobicContact CG2-CD1 4.4Å; F542-I544 PolarHBondContact O-N 3.3Å
545	S	83.5	Confident	88.7	Confident	53 Å²	53	43.8 Å²	43.8	37%	0.371	24%	0.235	S	C	.	.			trans	-91.8	-162.1	177.7	-163	0	0	0	0	111.1	S240 Y543	S240-S545 PolarHBondContact N-O 3.18Å; S240-S545 VanDerWaalsContact N-O 3.14Å; Y543-S545 PolarHBondContact O-N 2.84Å; Y543-S545 VanDerWaalsContact O-N 3.16Å
546	V	85.9	Confident	88.9	Confident	28 Å²	28	43.1 Å²	43.1	17%	0.17	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-85.8	134	176.2	173.2	0	0	0	0	109.8	D237 Q548 E642	D237-V546 HydrophobicContact CB-CB 4.11Å; D237-V546 HydrophobicContact CB-CG1 3.21Å; D237-V546 HydrophobicContact CB-CG2 3.74Å; V546-Q548 PolarHBondContact O-N 2.72Å; V546-E642 HydrophobicContact CG2-CB 3.89Å; V546-E642 HydrophobicContact CG2-CG 4.32Å
547	E	74.1	Confident	89.2	Confident	57 Å²	57	40.5 Å²	40.5	27%	0.266	22%	0.217	S	C	.	.	S	Bend	trans	-70.7	93.2	-176.9	-173	177.4	-154.1	0	0	111.7	S240 Q242 R621	S240-E547 WeakPolarHBondContact O-CB 3.38Å; S240-E547 PolarHBondContact O-N 2.99Å; S240-E547 WeakPolarHBondContact OG-CB 3.45Å; Q242-E547 PolarHBondContact NE2-OE1 3.25Å; E547-R621 IonicContact OE2-CZ 2.94Å; E547-R621 IonicContact OE2-NE 3.16Å; E547-R621 IonicContact OE2-NH2 3.36Å; E547-R621 PolarHBondContact OE2-NH2 3.08Å
548	Q	69.3	Low	89.5	Confident	162 Å²	162	37.1 Å²	37.1	76%	0.757	20%	0.197	S	C	*	.	S	Bend	trans	-104.3	-38.4	156.7	-64.8	-175	7.1	0	0	110.9	V546	V546-Q548 PolarHBondContact O-N 2.72Å
549	Q	77.6	Confident	90	Very high	135 Å²	135	32.7 Å²	32.7	63%	0.631	17%	0.173	S	C	*	.	S	Bend	trans	-148	163.1	175.5	-66.1	-178.3	-7	0	0	108.3	H534	H534-Q549 PolarHBondContact CE1-OE1 3.33Å
550	A	85.3	Confident	90.4	Very high	28 Å²	28	30 Å²	30	23%	0.231	16%	0.156	C	C	.	.			trans	-62.4	139.5	174.5	0	0	0	0	0	111.4	I555 W619	A550-I555 HydrophobicContact CB-CD1 4.35Å; A550-I555 HydrophobicContact CB-CG1 3.94Å; A550-I555 WeakPolarHBondContact O-CD1 3.48Å; A550-W619 HydrophobicContact CB-CH2 3.48Å; A550-W619 VanDerWaalsContact CB-CH2 3.48Å; A550-W619 HydrophobicContact CB-CZ3 3.31Å
551	S	91.8	Very high	90.6	Very high	23 Å²	23	30 Å²	30	16%	0.161	16%	0.156	C	C	.	.			trans	-70.2	157.7	176.3	69.5	0	0	0	0	112.1	D241 H320 P553 T554 I555	D241-S551 WeakPolarHBondContact OD2-CB 3.44Å; D241-S551 PolarHBondContact OD2-N 3.43Å; D241-S551 VanDerWaalsContact OD2-N 3.09Å; D241-S551 PolarHBondContact OD2-OG 3.2Å; H320-S551 PolarHBondContact NE2-OG 2.98Å; S551-P553 WeakPolarHBondContact OG-CD 3.18Å; S551-P553 VanDerWaalsContact OG-CG 3.32Å; S551-P553 WeakPolarHBondContact OG-CG 3.47Å; S551-T554 WeakPolarHBondContact O-CB 3.39Å; S551-T554 PolarHBondContact O-N 2.97Å; S551-T554 VanDerWaalsContact O-N 3.16Å; S551-T554 PolarHBondContact OG-OG1 3.18Å; S551-I555 WeakPolarHBondContact O-CG1 3.49Å; S551-I555 PolarHBondContact O-N 3.34Å
552	L	93.3	Very high	90.7	Very high	25 Å²	25	27.8 Å²	27.8	13%	0.131	15%	0.145	C	C	.	.	H	α-helix	trans	-52.4	-46.9	177.1	-179.4	59.9	0	0	0	114.4	H534 L535 N536 V540 T554 I555 L556	H534-L552 HydrophobicContact CB-CD1 4.34Å; L535-L552 HydrophobicContact CD2-CD1 3.94Å; N536-L552 WeakPolarHBondContact ND2-CD2 3.49Å; V540-L552 HydrophobicContact CG1-CD2 4.33Å; V540-L552 HydrophobicContact CG1-CG 4.25Å; V540-L552 HydrophobicContact CG2-CD2 3.99Å; V540-L552 HydrophobicContact CG2-CG 4.32Å; L552-T554 VanDerWaalsContact C-N 3.28Å; L552-T554 PolarHBondContact O-N 2.85Å; L552-I555 PolarHBondContact O-N 3.25Å; L552-L556 HydrophobicContact CD1-CD1 3.93Å; L552-L556 HydrophobicContact CD1-CD2 4.46Å; L552-L556 HydrophobicContact CD1-CG 3.87Å; L552-L556 HydrophobicContact CG-CD1 3.95Å; L552-L556 HydrophobicContact CG-CG 4.33Å; L552-L556 WeakPolarHBondContact O-CB 3.16Å; L552-L556 WeakPolarHBondContact O-CG 3.43Å; L552-L556 PolarHBondContact O-N 3.5Å
553	P	94.8	Very high	90.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.5	-39.8	177.4	24.9	-36.4	0	0	0	111.9	L271 V540 N541 F542 S551 L556 A557	L271-P553 HydrophobicContact CD1-CB 4.37Å; V540-P553 HydrophobicContact CG1-CB 3.83Å; V540-P553 HydrophobicContact CG1-CG 4.19Å; N541-P553 WeakPolarHBondContact O-CD 3.29Å; F542-P553 HydrophobicContact CD1-CB 3.64Å; F542-P553 HydrophobicContact CD1-CG 4.29Å; F542-P553 HydrophobicContact CE1-CB 3.79Å; F542-P553 HydrophobicContact CG-CB 4.39Å; S551-P553 WeakPolarHBondContact OG-CD 3.18Å; S551-P553 VanDerWaalsContact OG-CG 3.32Å; S551-P553 WeakPolarHBondContact OG-CG 3.47Å; P553-L556 PolarHBondContact O-N 3.25Å; P553-A557 VanDerWaalsContact O-CB 3.23Å; P553-A557 WeakPolarHBondContact O-CB 3.37Å; P553-A557 PolarHBondContact O-N 3.14Å
554	T	95.2	Very high	90.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.1	-43.7	177.2	-44.9	0	0	0	0	112.3	D241 Q242 I244 L271 H320 S551 L552 K558 W619	D241-T554 PolarHBondContact OD2-OG1 3.1Å; Q242-T554 HydrophobicContact CB-CG2 4.13Å; Q242-T554 VanDerWaalsContact O-CG2 3.31Å; Q242-T554 WeakPolarHBondContact O-CG2 3.09Å; I244-T554 HydrophobicContact CD1-CG2 3.88Å; I244-T554 VanDerWaalsContact CD1-O 3.32Å; I244-T554 WeakPolarHBondContact CD1-O 3.21Å; I244-T554 HydrophobicContact CG1-CG2 3.88Å; L271-T554 HydrophobicContact CD2-CG2 4.12Å; H320-T554 PolarHBondContact CD2-OG1 3.2Å; S551-T554 WeakPolarHBondContact O-CB 3.39Å; S551-T554 PolarHBondContact O-N 2.97Å; S551-T554 VanDerWaalsContact O-N 3.16Å; S551-T554 PolarHBondContact OG-OG1 3.18Å; L552-T554 VanDerWaalsContact C-N 3.28Å; L552-T554 PolarHBondContact O-N 2.85Å; T554-K558 WeakPolarHBondContact O-CB 3.18Å; T554-K558 PolarHBondContact O-N 2.85Å; T554-W619 HydrophobicContact CG2-CE3 4.2Å; T554-W619 HydrophobicContact CG2-CH2 3.3Å; T554-W619 HydrophobicContact CG2-CZ2 4.07Å; T554-W619 HydrophobicContact CG2-CZ3 3.35Å
555	I	94.8	Very high	91	Very high	8 Å²	8	30.6 Å²	30.6	4%	0.041	16%	0.162	C	C	.	.	H	α-helix	trans	-57.2	-54.3	174.4	-71.5	173.1	0	0	0	109.7	D531 H534 A550 S551 L552 K558 Y559 W619	D531-I555 HydrophobicContact CB-CG2 4.32Å; H534-I555 HydrophobicContact CB-CD1 4.32Å; A550-I555 HydrophobicContact CB-CD1 4.35Å; A550-I555 HydrophobicContact CB-CG1 3.94Å; A550-I555 WeakPolarHBondContact O-CD1 3.48Å; S551-I555 WeakPolarHBondContact O-CG1 3.49Å; S551-I555 PolarHBondContact O-N 3.34Å; L552-I555 PolarHBondContact O-N 3.25Å; I555-K558 PolarHBondContact O-N 2.8Å; I555-Y559 HydrophobicContact CG2-CD2 3.77Å; I555-Y559 HydrophobicContact CG2-CE2 3.76Å; I555-Y559 WeakPolarHBondContact O-CD2 3.44Å; I555-Y559 PolarHBondContact O-N 2.99Å; I555-Y559 VanDerWaalsContact O-N 3.11Å; I555-W619 HydrophobicContact CG1-CH2 4.46Å
556	L	96	Very high	91.5	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-60.7	-49.5	-178.3	-72	174.1	0	0	0	112.1	F514 T523 L535 V540 L552 P553 K558 Y559 L560	F514-L556 HydrophobicContact CD1-CD1 4.24Å; F514-L556 HydrophobicContact CE1-CB 3.82Å; F514-L556 HydrophobicContact CE1-CD1 4.08Å; F514-L556 HydrophobicContact CZ-CB 3.93Å; T523-L556 HydrophobicContact CG2-CD2 4.1Å; L535-L556 HydrophobicContact CD2-CD2 3.76Å; V540-L556 HydrophobicContact CG2-CD1 3.75Å; L552-L556 HydrophobicContact CD1-CD1 3.93Å; L552-L556 HydrophobicContact CD1-CD2 4.46Å; L552-L556 HydrophobicContact CD1-CG 3.87Å; L552-L556 HydrophobicContact CG-CD1 3.95Å; L552-L556 HydrophobicContact CG-CG 4.33Å; L552-L556 WeakPolarHBondContact O-CB 3.16Å; L552-L556 WeakPolarHBondContact O-CG 3.43Å; L552-L556 PolarHBondContact O-N 3.5Å; P553-L556 PolarHBondContact O-N 3.25Å; L556-K558 VanDerWaalsContact C-N 3.27Å; L556-K558 PolarHBondContact O-N 2.8Å; L556-Y559 PolarHBondContact O-N 3.26Å; L556-L560 VanDerWaalsContact O-CB 3.3Å; L556-L560 WeakPolarHBondContact O-CB 3.34Å; L556-L560 VanDerWaalsContact O-CG 3.24Å; L556-L560 WeakPolarHBondContact O-CG 3.23Å; L556-L560 PolarHBondContact O-N 2.78Å
557	A	97	Very high	91.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.8	-37.6	-179.5	0	0	0	0	0	111.9	I244 L271 L291 F514 P553 L561	I244-A557 HydrophobicContact CD1-CB 3.42Å; I244-A557 VanDerWaalsContact CD1-CB 3.42Å; L271-A557 HydrophobicContact CD1-CB 3.77Å; L291-A557 HydrophobicContact CD1-CB 4.11Å; F514-A557 HydrophobicContact CZ-CB 4.42Å; P553-A557 VanDerWaalsContact O-CB 3.23Å; P553-A557 WeakPolarHBondContact O-CB 3.37Å; P553-A557 PolarHBondContact O-N 3.14Å; A557-L561 WeakPolarHBondContact O-CB 3.38Å; A557-L561 PolarHBondContact O-N 3.02Å
558	K	96.4	Very high	92.7	Very high	35 Å²	35	30.2 Å²	30.2	15%	0.152	16%	0.163	C	C	.	.	H	α-helix	trans	-64.2	-53.2	174.9	-178.9	-145.2	-161.3	138.8	0	111.4	I244 T554 I555 L556 L560 L561 A562 I595 V617 W619	I244-K558 HydrophobicContact CD1-CB 4.28Å; T554-K558 WeakPolarHBondContact O-CB 3.18Å; T554-K558 PolarHBondContact O-N 2.85Å; I555-K558 PolarHBondContact O-N 2.8Å; L556-K558 VanDerWaalsContact C-N 3.27Å; L556-K558 PolarHBondContact O-N 2.8Å; K558-L560 VanDerWaalsContact C-N 3.31Å; K558-L560 PolarHBondContact O-N 3.37Å; K558-L561 PolarHBondContact O-N 3.44Å; K558-A562 VanDerWaalsContact O-CB 3.31Å; K558-A562 WeakPolarHBondContact O-CB 3.37Å; K558-A562 PolarHBondContact O-N 2.85Å; K558-I595 HydrophobicContact CD-CD1 4.28Å; K558-V617 HydrophobicContact CG-CG1 3.76Å; K558-W619 HydrophobicContact CB-CZ2 3.62Å; K558-W619 HydrophobicContact CD-CZ2 3.62Å; K558-W619 HydrophobicContact CG-CZ2 3.94Å
559	Y	97.1	Very high	93.8	Very high	11 Å²	11	23.5 Å²	23.5	4%	0.043	13%	0.133	C	C	.	.	H	α-helix	trans	-64.2	-39.4	-176.1	-78.1	-70.9	0	0	0	111.3	I526 V527 A528 D531 I555 L556 A562 N563 I595	I526-Y559 WeakPolarHBondContact O-CD1 3.22Å; V527-Y559 HydrophobicContact CB-CD2 4.45Å; V527-Y559 HydrophobicContact CG1-CD2 4.34Å; V527-Y559 HydrophobicContact CG1-CE2 4.14Å; V527-Y559 HydrophobicContact CG2-CD2 3.95Å; V527-Y559 HydrophobicContact CG2-CG 4.12Å; A528-Y559 HydrophobicContact CB-CE1 4.04Å; A528-Y559 WeakPolarHBondContact CB-OH 3.33Å; D531-Y559 HydrophobicContact CB-CE2 4.32Å; D531-Y559 WeakPolarHBondContact OD2-CE2 3.22Å; D531-Y559 PolarHBondContact OD2-OH 2.96Å; I555-Y559 HydrophobicContact CG2-CD2 3.77Å; I555-Y559 HydrophobicContact CG2-CE2 3.76Å; I555-Y559 WeakPolarHBondContact O-CD2 3.44Å; I555-Y559 PolarHBondContact O-N 2.99Å; I555-Y559 VanDerWaalsContact O-N 3.11Å; L556-Y559 PolarHBondContact O-N 3.26Å; Y559-A562 PolarHBondContact O-N 2.91Å; Y559-N563 WeakPolarHBondContact O-CB 3.32Å; Y559-N563 PolarHBondContact O-N 2.82Å; Y559-I595 HydrophobicContact CD1-CG2 4.06Å; Y559-I595 HydrophobicContact CE1-CG2 3.43Å; Y559-I595 VanDerWaalsContact CE1-CG2 3.43Å
560	L	97.4	Very high	94.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.5	-52.1	173	-72.7	169.1	0	0	0	111.2	L295 M510 F514 W522 I526 L556 K558 A562 N563 L564	L295-L560 HydrophobicContact CD1-CB 4.37Å; L295-L560 HydrophobicContact CD1-CD1 4.34Å; M510-L560 HydrophobicContact CG-CD1 4.3Å; M510-L560 HydrophobicContact CG-CD2 4.25Å; F514-L560 HydrophobicContact CD2-CD1 4.5Å; F514-L560 HydrophobicContact CE2-CD1 3.48Å; F514-L560 VanDerWaalsContact CE2-CD1 3.48Å; F514-L560 HydrophobicContact CZ-CD1 3.76Å; W522-L560 HydrophobicContact CE3-CD2 4.21Å; W522-L560 HydrophobicContact CH2-CD2 3.25Å; W522-L560 HydrophobicContact CZ2-CD2 3.83Å; W522-L560 HydrophobicContact CZ3-CD2 3.46Å; W522-L560 VanDerWaalsContact CZ3-CD2 3.46Å; I526-L560 HydrophobicContact CD1-CD2 3.52Å; I526-L560 HydrophobicContact CD1-CG 3.99Å; L556-L560 VanDerWaalsContact O-CB 3.3Å; L556-L560 WeakPolarHBondContact O-CB 3.34Å; L556-L560 VanDerWaalsContact O-CG 3.24Å; L556-L560 WeakPolarHBondContact O-CG 3.23Å; L556-L560 PolarHBondContact O-N 2.78Å; K558-L560 VanDerWaalsContact C-N 3.31Å; K558-L560 PolarHBondContact O-N 3.37Å; L560-A562 VanDerWaalsContact C-N 3.28Å; L560-A562 PolarHBondContact O-N 2.84Å; L560-N563 PolarHBondContact O-N 2.94Å; L560-L564 HydrophobicContact CB-CD1 4.47Å; L560-L564 VanDerWaalsContact O-CB 3.28Å; L560-L564 WeakPolarHBondContact O-CB 3.38Å; L560-L564 WeakPolarHBondContact O-CG 3.42Å; L560-L564 PolarHBondContact O-N 3.45Å
561	L	97.6	Very high	94.6	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.1	-41.3	178.9	-173.8	64.7	0	0	0	111.7	I244 A246 L295 A298 F318 A557 K558 L564 T565 V617	I244-L561 HydrophobicContact CG2-CD2 3.88Å; A246-L561 HydrophobicContact CB-CD2 3.7Å; A246-L561 HydrophobicContact CB-CG 4.35Å; L295-L561 HydrophobicContact CD2-CB 3.75Å; L295-L561 HydrophobicContact CD2-CD1 3.94Å; L295-L561 HydrophobicContact CD2-CG 4.39Å; A298-L561 HydrophobicContact CB-CD1 4.02Å; F318-L561 HydrophobicContact CD2-CD2 4.27Å; F318-L561 HydrophobicContact CE2-CD1 4.18Å; F318-L561 HydrophobicContact CE2-CD2 3.72Å; F318-L561 HydrophobicContact CE2-CG 4.48Å; A557-L561 WeakPolarHBondContact O-CB 3.38Å; A557-L561 PolarHBondContact O-N 3.02Å; K558-L561 PolarHBondContact O-N 3.44Å; L561-L564 PolarHBondContact O-N 2.77Å; L561-T565 HydrophobicContact CD1-CG2 3.79Å; L561-T565 HydrophobicContact CG-CG2 4.49Å; L561-T565 WeakPolarHBondContact O-CB 3.49Å; L561-T565 PolarHBondContact O-N 2.03Å; L561-T565 PolarHBondContact O-OG1 2.95Å; L561-V617 HydrophobicContact CB-CG2 4.1Å; L561-V617 HydrophobicContact CD2-CG1 3.99Å; L561-V617 HydrophobicContact CD2-CG2 3.8Å; L561-V617 HydrophobicContact CG-CG2 3.65Å
562	A	96.9	Very high	94.6	Very high	2 Å²	2	27.7 Å²	27.7	2%	0.017	16%	0.158	C	C	.	.	H	α-helix	trans	-65.9	-40	178.8	0	0	0	0	0	112.2	K558 Y559 L560 G566 I595 V613 V617	K558-A562 VanDerWaalsContact O-CB 3.31Å; K558-A562 WeakPolarHBondContact O-CB 3.37Å; K558-A562 PolarHBondContact O-N 2.85Å; Y559-A562 PolarHBondContact O-N 2.91Å; L560-A562 VanDerWaalsContact C-N 3.28Å; L560-A562 PolarHBondContact O-N 2.84Å; A562-G566 WeakPolarHBondContact O-CA 3.09Å; A562-G566 PolarHBondContact O-N 2.96Å; A562-I595 HydrophobicContact CB-CD1 3.94Å; A562-V613 WeakPolarHBondContact O-CG1 3.39Å; A562-V617 HydrophobicContact CB-CB 4.39Å; A562-V617 HydrophobicContact CB-CG2 4.07Å
563	N	96.6	Very high	94.4	Very high	45 Å²	45	30.1 Å²	30.1	24%	0.241	17%	0.168	C	C	.	.	H	α-helix	trans	-68.2	-44.3	175	-176.9	35.7	0	0	0	112.1	I526 Y559 L560	I526-N563 HydrophobicContact CB-CB 4.44Å; I526-N563 HydrophobicContact CG2-CB 4.14Å; I526-N563 WeakPolarHBondContact CG2-ND2 2.95Å; Y559-N563 WeakPolarHBondContact O-CB 3.32Å; Y559-N563 PolarHBondContact O-N 2.82Å; L560-N563 PolarHBondContact O-N 2.94Å
564	L	96	Very high	94.2	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.026	20%	0.2	C	C	.	.	H	α-helix	trans	-70.7	-37.7	-175.3	-68.1	171.9	0	0	0	112.5	L295 H299 R302 T506 M510 L560 L561	L295-L564 HydrophobicContact CB-CD1 4.08Å; H299-L564 HydrophobicContact CB-CB 3.97Å; H299-L564 HydrophobicContact CB-CD1 4.44Å; H299-L564 HydrophobicContact CB-CD2 3.95Å; H299-L564 HydrophobicContact CB-CG 4.32Å; H299-L564 PolarHBondContact CD2-O 3.38Å; R302-L564 WeakPolarHBondContact CD-O 3.19Å; R302-L564 PolarHBondContact NH1-O 3.19Å; T506-L564 HydrophobicContact CG2-CD2 3.6Å; M510-L564 HydrophobicContact CE-CD1 4.44Å; M510-L564 HydrophobicContact SD-CD1 3.85Å; L560-L564 HydrophobicContact CB-CD1 4.47Å; L560-L564 VanDerWaalsContact O-CB 3.28Å; L560-L564 WeakPolarHBondContact O-CB 3.38Å; L560-L564 WeakPolarHBondContact O-CG 3.42Å; L560-L564 PolarHBondContact O-N 3.45Å; L561-L564 PolarHBondContact O-N 2.77Å
565	T	95.2	Very high	93.9	Very high	25 Å²	25	38.2 Å²	38.2	15%	0.153	21%	0.207	C	C	.	.	H	α-helix	trans	-102	-24.8	-176.9	63.6	0	0	0	0	113.8	A298 L561	A298-T565 HydrophobicContact CB-CG2 3.82Å; L561-T565 HydrophobicContact CD1-CG2 3.79Å; L561-T565 HydrophobicContact CG-CG2 4.49Å; L561-T565 WeakPolarHBondContact O-CB 3.49Å; L561-T565 PolarHBondContact O-N 2.03Å; L561-T565 PolarHBondContact O-OG1 2.95Å
566	G	93.4	Very high	93.7	Very high	6 Å²	6	37.9 Å²	37.9	6%	0.062	21%	0.205	C	C	.	.			trans	-83	177.1	-174.9	0	0	0	0	0	114.7	R302 A562 R614	R302-G566 PolarHBondContact NH1-O 2.75Å; R302-G566 PolarHBondContact NH2-O 2.96Å; A562-G566 WeakPolarHBondContact O-CA 3.09Å; A562-G566 PolarHBondContact O-N 2.96Å; G566-R614 CarbonylContact C-O 3.35Å; G566-R614 WeakPolarHBondContact CA-O 3.43Å
567	S	92.9	Very high	93.4	Very high	24 Å²	24	45.7 Å²	45.7	17%	0.168	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	138.3	179.5	59.1	0	0	0	0	110.9	R614	S567-R614 PolarHBondContact N-O 3.28Å; S567-R614 PolarHBondContact O-N 3.24Å; S567-R614 PolarHBondContact OG-NE 2.77Å; S567-R614 PolarHBondContact OG-NH2 3.48Å
568	V	93.4	Very high	93	Very high	99 Å²	99	49.9 Å²	49.9	60%	0.6	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	130.8	171.6	-179.2	0	0	0	0	109.3	F611 C612	V568-F611 HydrophobicContact CB-CD2 4.37Å; V568-F611 HydrophobicContact CG1-CB 4.27Å; V568-F611 HydrophobicContact CG1-CD2 3.72Å; V568-F611 HydrophobicContact CG1-CE2 4.39Å; V568-F611 HydrophobicContact CG1-CG 4.22Å; V568-F611 HydrophobicContact CG2-CD2 3.83Å; V568-F611 HydrophobicContact CG2-CE2 3.65Å; V568-C612 WeakPolarHBondContact CA-O 3.31Å
569	V	91.9	Very high	92.7	Very high	21 Å²	21	50.9 Å²	50.9	13%	0.127	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.4	178.5	-65.2	0	0	0	0	110.5	V571 Y594 C612 R614	V569-V571 HydrophobicContact CB-CG2 4.01Å; V569-V571 HydrophobicContact CG2-CB 4.31Å; V569-V571 HydrophobicContact CG2-CG2 3.73Å; V569-V571 PolarHBondContact O-N 3.05Å; V569-Y594 HydrophobicContact CG2-CD1 4.18Å; V569-Y594 HydrophobicContact CG2-CE1 4.2Å; V569-C612 HydrophobicContact CG2-CB 3.82Å; V569-C612 PolarHBondContact N-O 3.33Å; V569-R614 HydrophobicContact CG1-CB 3.76Å; V569-R614 HydrophobicContact CG2-CB 4.2Å
570	N	90.5	Very high	92.1	Very high	175 Å²	175	52.6 Å²	52.6	94%	0.936	27%	0.27	S	S	*	.			trans	-83.3	80.3	-179.2	-170.9	16.6	0	0	0	110.4
571	V	89.4	Confident	91.4	Very high	19 Å²	19	56 Å²	56	12%	0.115	29%	0.286	C	S	.	.			trans	-131.5	146.7	-174	-179.4	0	0	0	0	109.1	V569 N575 E581 W596 C612	V569-V571 HydrophobicContact CB-CG2 4.01Å; V569-V571 HydrophobicContact CG2-CB 4.31Å; V569-V571 HydrophobicContact CG2-CG2 3.73Å; V569-V571 PolarHBondContact O-N 3.05Å; V571-N575 HydrophobicContact CG1-CB 3.31Å; V571-E581 HydrophobicContact CG2-CB 4.29Å; V571-E581 HydrophobicContact CG2-CG 4.32Å; V571-W596 WeakPolarHBondContact O-CZ3 3.36Å; V571-C612 HydrophobicContact CB-CB 4.35Å
572	T	90.4	Very high	90.5	Very high	80 Å²	80	58.5 Å²	58.5	49%	0.491	30%	0.304	S	S	.	.			trans	-66.6	156.3	176.2	64.5	0	0	0	0	111.5	E574 N575 C576	T572-E574 PolarHBondContact O-N 3.06Å; T572-N575 PolarHBondContact O-N 3.16Å; T572-N575 WeakPolarHBondContact OG1-CB 3.22Å; T572-N575 PolarHBondContact OG1-N 2.84Å; T572-C576 WeakPolarHBondContact O-CB 3.44Å; T572-C576 PolarHBondContact O-N 2.96Å
573	Q	90.3	Very high	89.5	Confident	77 Å²	77	65.9 Å²	65.9	36%	0.36	34%	0.338	S	S	.	.	H	α-helix	trans	-55.5	-39	177.4	-176.3	174.8	35.5	0	0	112.7	R577 W596	Q573-R577 VanDerWaalsContact NE2-NH2 3.19Å; Q573-R577 WeakPolarHBondContact O-CB 3.41Å; Q573-R577 VanDerWaalsContact O-CG 3.29Å; Q573-R577 WeakPolarHBondContact O-CG 3.03Å; Q573-R577 PolarHBondContact O-N 3.14Å; Q573-W596 HydrophobicContact CB-CD2 3.9Å; Q573-W596 HydrophobicContact CB-CE3 4.05Å; Q573-W596 HydrophobicContact CB-CH2 3.93Å; Q573-W596 HydrophobicContact CB-CZ2 3.79Å; Q573-W596 HydrophobicContact CB-CZ3 4.07Å; Q573-W596 HydrophobicContact CG-CD2 3.72Å; Q573-W596 HydrophobicContact CG-CE3 4.3Å; Q573-W596 HydrophobicContact CG-CG 3.91Å; Q573-W596 HydrophobicContact CG-CZ2 4.21Å
574	E	90.1	Very high	88.5	Confident	140 Å²	140	70.7 Å²	70.7	65%	0.654	36%	0.364	S	S	*	.	H	α-helix	trans	-66.8	-46.1	179.4	-176	170.9	-170.7	0	0	112	T572 R577 N578	T572-E574 PolarHBondContact O-N 3.06Å; E574-R577 PolarHBondContact O-N 2.8Å; E574-N578 WeakPolarHBondContact O-CB 3.48Å; E574-N578 VanDerWaalsContact O-CG 3.27Å; E574-N578 PolarHBondContact O-N 3.41Å; E574-N578 PolarHBondContact O-ND2 2.96Å; E574-N578 VanDerWaalsContact O-ND2 3.07Å
575	N	89.4	Confident	87.6	Confident	30 Å²	30	71.9 Å²	71.9	16%	0.16	37%	0.37	C	S	.	.	H	α-helix	trans	-65.8	-41.3	178	-75.8	-6.8	0	0	0	111.6	V571 T572 R577 N578 Q579 K580	V571-N575 HydrophobicContact CG1-CB 3.31Å; T572-N575 PolarHBondContact O-N 3.16Å; T572-N575 WeakPolarHBondContact OG1-CB 3.22Å; T572-N575 PolarHBondContact OG1-N 2.84Å; N575-R577 PolarHBondContact O-N 2.99Å; N575-N578 CarbonylContact O-C 3.59Å; N575-N578 WeakPolarHBondContact O-CA 3.4Å; N575-N578 PolarHBondContact O-N 2.84Å; N575-N578 VanDerWaalsContact O-N 3.12Å; N575-Q579 PolarHBondContact O-N 2.76Å; N575-Q579 VanDerWaalsContact O-N 3.13Å; N575-K580 CarbonylContact C-O 3.6Å; N575-K580 VanDerWaalsContact C-O 3.29Å; N575-K580 HydrophobicContact CB-CG 4.15Å; N575-K580 WeakPolarHBondContact CB-O 3.08Å; N575-K580 PolarHBondContact O-N 3.31Å; N575-K580 VanDerWaalsContact O-N 3.08Å; N575-K580 VanDerWaalsContact O-O 3.05Å; N575-K580 WeakPolarHBondContact OD1-CE 3.21Å
576	C	90.2	Very high	86.6	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-59.1	-45.7	174.7	-168	0	0	0	0	111.8	T572 N578 Q579 I595 W596 C612	T572-C576 WeakPolarHBondContact O-CB 3.44Å; T572-C576 PolarHBondContact O-N 2.96Å; C576-N578 VanDerWaalsContact C-N 3.29Å; C576-N578 PolarHBondContact O-N 3.32Å; C576-Q579 PolarHBondContact O-N 2.92Å; C576-Q579 VanDerWaalsContact O-N 3.1Å; C576-Q579 PolarHBondContact O-NE2 2.63Å; C576-I595 VanDerWaalsContact SG-C 3.58Å; C576-W596 HydrophobicContact CB-CE3 3.81Å; C576-C612 HydrophobicContact CB-CB 3.69Å; C576-C612 WeakPolarHBondContact CB-SG 3.32Å; C576-C612 WeakPolarHBondContact SG-CB 3.43Å; C576-C612 CovalentContact SG-SG 2.04Å; C576-C612 PolarHBondContact SG-SG 3.36Å
577	R	89.1	Confident	85.8	Confident	165 Å²	165	83.6 Å²	83.6	62%	0.623	42%	0.419	S	S	*	.	H	α-helix	trans	-63.4	-35.6	175.7	-76.6	177.7	176	-175.6	0.5	112.4	Q573 E574 N575 Q579	Q573-R577 VanDerWaalsContact NE2-NH2 3.19Å; Q573-R577 WeakPolarHBondContact O-CB 3.41Å; Q573-R577 VanDerWaalsContact O-CG 3.29Å; Q573-R577 WeakPolarHBondContact O-CG 3.03Å; Q573-R577 PolarHBondContact O-N 3.14Å; E574-R577 PolarHBondContact O-N 2.8Å; N575-R577 PolarHBondContact O-N 2.99Å; R577-Q579 PolarHBondContact O-N 2Å
578	N	88.4	Confident	85.2	Confident	89 Å²	89	83.5 Å²	83.5	48%	0.476	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	8.2	176.1	-70.2	-35.1	0	0	0	113.8	E574 N575 C576 K580	E574-N578 WeakPolarHBondContact O-CB 3.48Å; E574-N578 VanDerWaalsContact O-CG 3.27Å; E574-N578 PolarHBondContact O-N 3.41Å; E574-N578 PolarHBondContact O-ND2 2.96Å; E574-N578 VanDerWaalsContact O-ND2 3.07Å; N575-N578 CarbonylContact O-C 3.59Å; N575-N578 WeakPolarHBondContact O-CA 3.4Å; N575-N578 PolarHBondContact O-N 2.84Å; N575-N578 VanDerWaalsContact O-N 3.12Å; C576-N578 VanDerWaalsContact C-N 3.29Å; C576-N578 PolarHBondContact O-N 3.32Å; N578-K580 VanDerWaalsContact C-N 3.29Å; N578-K580 HydrophobicContact CB-CD 4.06Å; N578-K580 HydrophobicContact CB-CG 4.04Å; N578-K580 PolarHBondContact O-N 3.07Å
579	Q	90	Very high	84.6	Confident	55 Å²	55	83.8 Å²	83.8	26%	0.257	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	38.1	177.7	-56.3	-62.4	-54.9	0	0	113.5	N575 C576 R577 K589 N593 Y594	N575-Q579 PolarHBondContact O-N 2.76Å; N575-Q579 VanDerWaalsContact O-N 3.13Å; C576-Q579 PolarHBondContact O-N 2.92Å; C576-Q579 VanDerWaalsContact O-N 3.1Å; C576-Q579 PolarHBondContact O-NE2 2.63Å; R577-Q579 PolarHBondContact O-N 2Å; Q579-K589 HydrophobicContact CB-CB 4.22Å; Q579-K589 WeakPolarHBondContact O-CB 3.48Å; Q579-N593 PolarHBondContact OE1-OD1 2.93Å; Q579-Y594 HydrophobicContact CB-CD2 4.41Å; Q579-Y594 PolarHBondContact NE2-O 2.85Å
580	K	85.1	Confident	84.3	Confident	47 Å²	47	85 Å²	85	20%	0.204	42%	0.416	C	S	.	.			trans	-138.5	146.4	-177.8	65.3	-175.5	-171.7	174.4	0	111.4	N575 N578	N575-K580 CarbonylContact C-O 3.6Å; N575-K580 VanDerWaalsContact C-O 3.29Å; N575-K580 HydrophobicContact CB-CG 4.15Å; N575-K580 WeakPolarHBondContact CB-O 3.08Å; N575-K580 PolarHBondContact O-N 3.31Å; N575-K580 VanDerWaalsContact O-N 3.08Å; N575-K580 VanDerWaalsContact O-O 3.05Å; N575-K580 WeakPolarHBondContact OD1-CE 3.21Å; N578-K580 VanDerWaalsContact C-N 3.29Å; N578-K580 HydrophobicContact CB-CD 4.06Å; N578-K580 HydrophobicContact CB-CG 4.04Å; N578-K580 PolarHBondContact O-N 3.07Å
581	E	82.1	Confident	84.2	Confident	71 Å²	71	79.4 Å²	79.4	33%	0.332	39%	0.386	S	S	.	.	S	Bend	trans	-83.3	-35.5	173.3	-66.2	-175.7	-172.5	0	0	111.9	V571 D585 Y594 R614	V571-E581 HydrophobicContact CG2-CB 4.29Å; V571-E581 HydrophobicContact CG2-CG 4.32Å; E581-D585 PolarHBondContact N-OD2 2.88Å; E581-Y594 HydrophobicContact CG-CE1 3.58Å; E581-Y594 WeakPolarHBondContact CG-OH 3.15Å; E581-Y594 PolarHBondContact OE1-OH 3.02Å; E581-R614 VanDerWaalsContact OE1-CD 3.28Å; E581-R614 WeakPolarHBondContact OE1-CD 3.43Å; E581-R614 IonicContact OE1-NH1 2.75Å
582	S	79.6	Confident	84.3	Confident	54 Å²	54	80.8 Å²	80.8	38%	0.378	39%	0.389	S	S	.	.	S	Bend	trans	-142	173.1	177.4	72.8	0	0	0	0	111.2	D584 D585	S582-D584 PolarHBondContact O-N 3.2Å; S582-D585 PolarHBondContact O-N 2.84Å; S582-D585 PolarHBondContact OG-N 3Å
583	E	75.3	Confident	84.4	Confident	156 Å²	156	78.2 Å²	78.2	73%	0.729	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-26.6	177.4	-65.8	-168.5	158.8	0	0	113.4
584	D	76.4	Confident	84.5	Confident	147 Å²	147	74.8 Å²	74.8	79%	0.786	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-11.3	179.2	-62.9	-44.3	0	0	0	113	S582 K586	S582-D584 PolarHBondContact O-N 3.2Å; D584-K586 PolarHBondContact O-N 3.44Å
585	D	75.9	Confident	84.7	Confident	30 Å²	30	68.8 Å²	68.8	16%	0.16	33%	0.328	C	S	.	.			trans	-77.5	101.2	-178.2	179.1	22.2	0	0	0	111.7	E581 S582 E587 S588	E581-D585 PolarHBondContact N-OD2 2.88Å; S582-D585 PolarHBondContact O-N 2.84Å; S582-D585 PolarHBondContact OG-N 3Å; D585-E587 PolarHBondContact OD1-N 2.95Å; D585-S588 VanDerWaalsContact OD1-CB 3.29Å; D585-S588 WeakPolarHBondContact OD1-CB 2.97Å; D585-S588 PolarHBondContact OD1-N 2.82Å; D585-S588 PolarHBondContact OD1-OG 3.25Å; D585-S588 WeakPolarHBondContact OD2-CB 3.39Å; D585-S588 PolarHBondContact OD2-OG 2.77Å
586	K	74.4	Confident	84.9	Confident	148 Å²	148	69.6 Å²	69.6	64%	0.643	33%	0.329	S	S	*	.			trans	-103.1	-18	178	-65	-178.5	-176.4	175.6	0	113.6	D584 K589 H590	D584-K586 PolarHBondContact O-N 3.44Å; K586-K589 VanDerWaalsContact O-CE 3.27Å; K586-K589 WeakPolarHBondContact O-CE 3.15Å; K586-H590 PolarHBondContact O-CD2 2.96Å
587	E	77.4	Confident	85.1	Confident	129 Å²	129	69.8 Å²	69.8	60%	0.603	33%	0.331	S	S	*	.	S	Bend	trans	-98.5	-31.7	-168.5	-64.8	-59.2	140.4	0	0	112.6	D585 K589 H590	D585-E587 PolarHBondContact OD1-N 2.95Å; E587-K589 VanDerWaalsContact C-N 3.26Å; E587-K589 PolarHBondContact O-N 3.39Å; E587-H590 WeakPolarHBondContact O-CB 3.41Å; E587-H590 PolarHBondContact O-N 2.67Å
588	S	79.9	Confident	85.2	Confident	22 Å²	22	64.1 Å²	64.1	15%	0.154	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-65.3	-29.6	-172.1	-52.4	0	0	0	0	113.4	D585 H590 L591 Y592 Y594	D585-S588 VanDerWaalsContact OD1-CB 3.29Å; D585-S588 WeakPolarHBondContact OD1-CB 2.97Å; D585-S588 PolarHBondContact OD1-N 2.82Å; D585-S588 PolarHBondContact OD1-OG 3.25Å; D585-S588 WeakPolarHBondContact OD2-CB 3.39Å; D585-S588 PolarHBondContact OD2-OG 2.77Å; S588-H590 PolarHBondContact O-N 3.08Å; S588-H590 VanDerWaalsContact O-N 3.16Å; S588-L591 PolarHBondContact O-N 2.94Å; S588-Y592 PolarHBondContact O-N 3.01Å; S588-Y594 VanDerWaalsContact CB-OH 3.24Å; S588-Y594 WeakPolarHBondContact CB-OH 3.23Å
589	K	81.8	Confident	85.3	Confident	105 Å²	105	59.9 Å²	59.9	46%	0.457	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-60.3	-22	173.4	72.8	-177.9	-176.8	179.8	0	114.2	Q579 K586 E587	Q579-K589 HydrophobicContact CB-CB 4.22Å; Q579-K589 WeakPolarHBondContact O-CB 3.48Å; K586-K589 VanDerWaalsContact O-CE 3.27Å; K586-K589 WeakPolarHBondContact O-CE 3.15Å; E587-K589 VanDerWaalsContact C-N 3.26Å; E587-K589 PolarHBondContact O-N 3.39Å
590	H	84.4	Confident	85.2	Confident	45 Å²	45	59.7 Å²	59.7	21%	0.208	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-86.4	-13	179.6	-63	-61.3	0	0	0	112.3	N252 I253 T254 K586 E587 S588	N252-H590 WeakPolarHBondContact CA-O 3.42Å; I253-H590 WeakPolarHBondContact CG1-O 2.86Å; I253-H590 PolarHBondContact N-O 3.34Å; T254-H590 PolarHBondContact OG1-ND1 3Å; K586-H590 PolarHBondContact O-CD2 2.96Å; E587-H590 WeakPolarHBondContact O-CB 3.41Å; E587-H590 PolarHBondContact O-N 2.67Å; S588-H590 PolarHBondContact O-N 3.08Å; S588-H590 VanDerWaalsContact O-N 3.16Å
591	L	88	Confident	85.1	Confident	59 Å²	59	59.4 Å²	59.4	31%	0.309	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-32.5	-173.5	-68.2	165.7	0	0	0	113	P250 S588	P250-L591 HydrophobicContact CB-CB 4.16Å; P250-L591 HydrophobicContact CB-CD2 4.26Å; S588-L591 PolarHBondContact O-N 2.94Å
592	Y	92.1	Very high	85	Confident	48 Å²	48	59.8 Å²	59.8	19%	0.188	31%	0.306	C	S	.	.			trans	-128.5	161	-173.2	-59.6	-77.4	0	0	0	111.5	P250 S588 R614 S615 T616	P250-Y592 HydrophobicContact CB-CE1 3.99Å; P250-Y592 HydrophobicContact CG-CD1 4.37Å; P250-Y592 HydrophobicContact CG-CE1 3.43Å; P250-Y592 VanDerWaalsContact CG-CE1 3.43Å; P250-Y592 HydrophobicContact CG-CE2 4.48Å; P250-Y592 VanDerWaalsContact CG-CZ 3.5Å; P250-Y592 VanDerWaalsContact CG-OH 3.31Å; P250-Y592 WeakPolarHBondContact CG-OH 3.13Å; S588-Y592 PolarHBondContact O-N 3.01Å; Y592-R614 HydrophobicContact CD1-CG 3.86Å; Y592-R614 HydrophobicContact CD2-CG 4.49Å; Y592-R614 HydrophobicContact CG-CG 3.81Å; Y592-S615 WeakPolarHBondContact CA-O 3.23Å; Y592-T616 HydrophobicContact CD1-CG2 4Å; Y592-T616 HydrophobicContact CE1-CG2 4.16Å
593	N	92.7	Very high	84.8	Confident	26 Å²	26	62.6 Å²	62.6	14%	0.139	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131.3	170.8	-175.2	23.5	0	0	0	109.4	Q579 S615 V617	Q579-N593 PolarHBondContact OE1-OD1 2.93Å; N593-S615 PolarHBondContact N-O 2.9Å; N593-S615 PolarHBondContact O-N 3.23Å; N593-V617 WeakPolarHBondContact CB-O 3.45Å; N593-V617 PolarHBondContact ND2-O 2.76Å
594	Y	93.1	Very high	85	Confident	5 Å²	5	63.6 Å²	63.6	2%	0.02	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.1	-177.4	-64.7	-92.8	0	0	0	110.2	V569 Q579 E581 S588 V613 R614	V569-Y594 HydrophobicContact CG2-CD1 4.18Å; V569-Y594 HydrophobicContact CG2-CE1 4.2Å; Q579-Y594 HydrophobicContact CB-CD2 4.41Å; Q579-Y594 PolarHBondContact NE2-O 2.85Å; E581-Y594 HydrophobicContact CG-CE1 3.58Å; E581-Y594 WeakPolarHBondContact CG-OH 3.15Å; E581-Y594 PolarHBondContact OE1-OH 3.02Å; S588-Y594 VanDerWaalsContact CB-OH 3.24Å; S588-Y594 WeakPolarHBondContact CB-OH 3.23Å; Y594-V613 WeakPolarHBondContact CA-O 3.35Å; Y594-R614 HydrophobicContact CD1-CB 3.95Å; Y594-R614 HydrophobicContact CD1-CG 4.14Å; Y594-R614 HydrophobicContact CE1-CB 3.69Å; Y594-R614 HydrophobicContact CE1-CG 3.54Å; Y594-R614 WeakPolarHBondContact OH-CD 3.29Å
595	I	93.1	Very high	85	Confident	13 Å²	13	58.8 Å²	58.8	7%	0.067	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	120.4	-175.5	-57.5	178.7	0	0	0	108.7	K558 Y559 A562 C576 V597 V613	K558-I595 HydrophobicContact CD-CD1 4.28Å; Y559-I595 HydrophobicContact CD1-CG2 4.06Å; Y559-I595 HydrophobicContact CE1-CG2 3.43Å; Y559-I595 VanDerWaalsContact CE1-CG2 3.43Å; A562-I595 HydrophobicContact CB-CD1 3.94Å; C576-I595 VanDerWaalsContact SG-C 3.58Å; I595-V597 HydrophobicContact CG2-CG1 3.89Å; I595-V597 PolarHBondContact O-N 3.12Å; I595-V613 PolarHBondContact N-O 3.19Å; I595-V613 PolarHBondContact O-N 2.97Å
596	W	94.4	Very high	85.1	Confident	47 Å²	47	64 Å²	64	18%	0.178	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	112.4	172.5	-172.4	-89.4	0	0	0	110.1	A528 V571 Q573 C576 G610 C612	A528-W596 WeakPolarHBondContact CB-O 3.42Å; V571-W596 WeakPolarHBondContact O-CZ3 3.36Å; Q573-W596 HydrophobicContact CB-CD2 3.9Å; Q573-W596 HydrophobicContact CB-CE3 4.05Å; Q573-W596 HydrophobicContact CB-CH2 3.93Å; Q573-W596 HydrophobicContact CB-CZ2 3.79Å; Q573-W596 HydrophobicContact CB-CZ3 4.07Å; Q573-W596 HydrophobicContact CG-CD2 3.72Å; Q573-W596 HydrophobicContact CG-CE3 4.3Å; Q573-W596 HydrophobicContact CG-CG 3.91Å; Q573-W596 HydrophobicContact CG-CZ2 4.21Å; C576-W596 HydrophobicContact CB-CE3 3.81Å; W596-G610 VanDerWaalsContact CH2-O 3.27Å; W596-G610 WeakPolarHBondContact CH2-O 3.21Å; W596-G610 WeakPolarHBondContact CZ2-O 3.49Å; W596-C612 HydrophobicContact CE3-CB 3.95Å; W596-C612 HydrophobicContact CZ3-CB 4.17Å
597	V	94.6	Very high	85.4	Confident	5 Å²	5	63.5 Å²	63.5	3%	0.03	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	162.6	-177.7	-55.2	0	0	0	0	110.8	I526 I595 G610 F611 V613	I526-V597 WeakPolarHBondContact O-CG1 3.42Å; I595-V597 HydrophobicContact CG2-CG1 3.89Å; I595-V597 PolarHBondContact O-N 3.12Å; V597-G610 WeakPolarHBondContact O-CA 3.06Å; V597-F611 HydrophobicContact CG2-CD1 4.07Å; V597-F611 HydrophobicContact CG2-CD2 3.64Å; V597-F611 HydrophobicContact CG2-CE1 3.86Å; V597-F611 HydrophobicContact CG2-CE2 3.39Å; V597-F611 HydrophobicContact CG2-CG 3.99Å; V597-F611 HydrophobicContact CG2-CZ 3.5Å; V597-F611 WeakPolarHBondContact CG2-O 3.24Å; V597-F611 PolarHBondContact N-O 2.82Å; V597-F611 PolarHBondContact O-N 3.41Å; V597-V613 HydrophobicContact CG1-CG2 4.06Å; V597-V613 HydrophobicContact CG2-CG2 4.01Å
598	Q	89.9	Confident	85.8	Confident	45 Å²	45	60.6 Å²	60.6	21%	0.21	33%	0.328	C	S	.	.			trans	-72.4	-34.1	-176.8	-85.9	-156.8	-16.4	0	0	114.7	Q524 V527 P529 I532 R608 D609 G610	Q524-Q598 WeakPolarHBondContact O-CB 3.44Å; V527-Q598 PolarHBondContact O-N 3.14Å; P529-Q598 HydrophobicContact CB-CG 4.3Å; P529-Q598 HydrophobicContact CG-CG 3.8Å; I532-Q598 HydrophobicContact CD1-CG 3.8Å; Q598-R608 WeakPolarHBondContact O-CB 3.3Å; Q598-D609 CarbonylContact O-C 3.55Å; Q598-G610 VanDerWaalsContact O-CA 3.25Å; Q598-G610 WeakPolarHBondContact O-CA 3.45Å; Q598-G610 PolarHBondContact O-N 3.22Å; Q598-G610 VanDerWaalsContact O-N 3.16Å
599	G	90.4	Very high	86	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.347	C	S	.	.			trans	73.1	176	-173	0	0	0	0	0	114.7	E525 R608	E525-G599 WeakPolarHBondContact O-CA 3.1Å; E525-G599 PolarHBondContact O-N 2.8Å; G599-R608 PolarHBondContact O-NH1 2.91Å
600	A	87.9	Confident	86.4	Confident	51 Å²	51	60.7 Å²	60.7	42%	0.421	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-67.8	144.4	-178.4	0	0	0	0	0	111.6	E525	E525-A600 HydrophobicContact CG-CB 4.19Å
601	A	83.1	Confident	86.8	Confident	42 Å²	42	61.5 Å²	61.5	35%	0.347	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-71.7	133.3	167.8	0	0	0	0	0	108.6	R608	A601-R608 HydrophobicContact CB-CG 4.04Å
602	L	79.6	Confident	87.1	Confident	78 Å²	78	58.7 Å²	58.7	41%	0.408	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-63	146.3	175.3	-75.9	160.5	0	0	0	110.1	N604 S605 E607	L602-N604 PolarHBondContact O-N 2.97Å; L602-N604 VanDerWaalsContact O-N 3.07Å; L602-S605 PolarHBondContact O-N 2.82Å; L602-E607 PolarHBondContact N-O 2.94Å
603	P	77.1	Confident	87.3	Confident	113 Å²	113	56.7 Å²	56.7	73%	0.734	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	120.2	176.9	-23.5	32.4	0	0	0	110.7	S605	P603-S605 VanDerWaalsContact C-N 3.35Å; P603-S605 PolarHBondContact O-N 2.98Å
604	N	79.2	Confident	87.4	Confident	178 Å²	178	58.6 Å²	58.6	95%	0.952	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	17.8	-177.7	-46.1	-49.1	0	0	0	116.3	L602	L602-N604 PolarHBondContact O-N 2.97Å; L602-N604 VanDerWaalsContact O-N 3.07Å
605	S	76.9	Confident	87.4	Confident	45 Å²	45	58.5 Å²	58.5	32%	0.315	33%	0.325	S	S	.	.			trans	-124.1	152.4	171.5	-172.3	0	0	0	0	111.4	L602 P603 E607	L602-S605 PolarHBondContact O-N 2.82Å; P603-S605 VanDerWaalsContact C-N 3.35Å; P603-S605 PolarHBondContact O-N 2.98Å; S605-E607 VanDerWaalsContact C-N 3.34Å; S605-E607 WeakPolarHBondContact OG-CB 3.41Å; S605-E607 PolarHBondContact OG-N 2.98Å
606	T	77.2	Confident	87.5	Confident	139 Å²	139	58.7 Å²	58.7	85%	0.853	33%	0.326	S	S	*	.	S	Bend	trans	-88	-7.1	167.5	53.7	0	0	0	0	112.3
607	E	80.7	Confident	87.7	Confident	138 Å²	138	56.5 Å²	56.5	65%	0.645	32%	0.318	S	S	*	.			trans	-75.2	132.5	175.7	-65.8	-177.4	165.1	0	0	110.2	L602 S605	L602-E607 PolarHBondContact N-O 2.94Å; S605-E607 VanDerWaalsContact C-N 3.34Å; S605-E607 WeakPolarHBondContact OG-CB 3.41Å; S605-E607 PolarHBondContact OG-N 2.98Å
608	R	84.6	Confident	87.7	Confident	68 Å²	68	57.3 Å²	57.3	26%	0.257	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-116	128.8	179	-66.3	-178	172.3	-88.4	2.3	109	Q598 G599 A601 G610	Q598-R608 WeakPolarHBondContact O-CB 3.3Å; G599-R608 PolarHBondContact O-NH1 2.91Å; A601-R608 HydrophobicContact CB-CG 4.04Å; R608-G610 PolarHBondContact O-N 3.17Å
609	D	84.9	Confident	87.8	Confident	104 Å²	104	58.3 Å²	58.3	56%	0.556	32%	0.323	S	S	*	.			trans	-87.9	101.3	178.1	-72.9	-29.4	0	0	0	110	Q598	Q598-D609 CarbonylContact O-C 3.55Å
610	G	89.9	Confident	88	Confident	25 Å²	25	58.9 Å²	58.9	26%	0.258	33%	0.328	S	S	.	.			trans	-68.2	147.9	178.3	0	0	0	0	0	112.7	W596 V597 Q598 R608	W596-G610 VanDerWaalsContact CH2-O 3.27Å; W596-G610 WeakPolarHBondContact CH2-O 3.21Å; W596-G610 WeakPolarHBondContact CZ2-O 3.49Å; V597-G610 WeakPolarHBondContact O-CA 3.06Å; Q598-G610 VanDerWaalsContact O-CA 3.25Å; Q598-G610 WeakPolarHBondContact O-CA 3.45Å; Q598-G610 PolarHBondContact O-N 3.22Å; Q598-G610 VanDerWaalsContact O-N 3.16Å; R608-G610 PolarHBondContact O-N 3.17Å
611	F	93.1	Very high	88.4	Confident	62 Å²	62	62.2 Å²	62.2	27%	0.272	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	165.8	175.8	59.7	-94.2	0	0	0	111.4	V568 V597 V613	V568-F611 HydrophobicContact CB-CD2 4.37Å; V568-F611 HydrophobicContact CG1-CB 4.27Å; V568-F611 HydrophobicContact CG1-CD2 3.72Å; V568-F611 HydrophobicContact CG1-CE2 4.39Å; V568-F611 HydrophobicContact CG1-CG 4.22Å; V568-F611 HydrophobicContact CG2-CD2 3.83Å; V568-F611 HydrophobicContact CG2-CE2 3.65Å; V597-F611 HydrophobicContact CG2-CD1 4.07Å; V597-F611 HydrophobicContact CG2-CD2 3.64Å; V597-F611 HydrophobicContact CG2-CE1 3.86Å; V597-F611 HydrophobicContact CG2-CE2 3.39Å; V597-F611 HydrophobicContact CG2-CG 3.99Å; V597-F611 HydrophobicContact CG2-CZ 3.5Å; V597-F611 WeakPolarHBondContact CG2-O 3.24Å; V597-F611 PolarHBondContact N-O 2.82Å; V597-F611 PolarHBondContact O-N 3.41Å; F611-V613 HydrophobicContact CD2-CG2 3.9Å; F611-V613 HydrophobicContact CE2-CG2 3.53Å
612	C	94.9	Very high	89	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.007	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128	179.1	-166.8	0	0	0	0	111.1	V568 V569 V571 C576 W596	V568-C612 WeakPolarHBondContact CA-O 3.31Å; V569-C612 HydrophobicContact CG2-CB 3.82Å; V569-C612 PolarHBondContact N-O 3.33Å; V571-C612 HydrophobicContact CB-CB 4.35Å; C576-C612 HydrophobicContact CB-CB 3.69Å; C576-C612 WeakPolarHBondContact CB-SG 3.32Å; C576-C612 WeakPolarHBondContact SG-CB 3.43Å; C576-C612 CovalentContact SG-SG 2.04Å; C576-C612 PolarHBondContact SG-SG 3.36Å; W596-C612 HydrophobicContact CE3-CB 3.95Å; W596-C612 HydrophobicContact CZ3-CB 4.17Å
613	V	95.3	Very high	89.8	Confident	6 Å²	6	57.2 Å²	57.2	4%	0.036	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	121.3	172.7	-179.5	0	0	0	0	108.8	A562 Y594 I595 V597 F611	A562-V613 WeakPolarHBondContact O-CG1 3.39Å; Y594-V613 WeakPolarHBondContact CA-O 3.35Å; I595-V613 PolarHBondContact N-O 3.19Å; I595-V613 PolarHBondContact O-N 2.97Å; V597-V613 HydrophobicContact CG1-CG2 4.06Å; V597-V613 HydrophobicContact CG2-CG2 4.01Å; F611-V613 HydrophobicContact CD2-CG2 3.9Å; F611-V613 HydrophobicContact CE2-CG2 3.53Å
614	R	94.6	Very high	90.7	Very high	66 Å²	66	51.9 Å²	51.9	25%	0.249	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.8	170.2	-177.9	-171	71.2	153.8	3.6	109.2	G566 S567 V569 E581 Y592 Y594	G566-R614 CarbonylContact C-O 3.35Å; G566-R614 WeakPolarHBondContact CA-O 3.43Å; S567-R614 PolarHBondContact N-O 3.28Å; S567-R614 PolarHBondContact O-N 3.24Å; S567-R614 PolarHBondContact OG-NE 2.77Å; S567-R614 PolarHBondContact OG-NH2 3.48Å; V569-R614 HydrophobicContact CG1-CB 3.76Å; V569-R614 HydrophobicContact CG2-CB 4.2Å; E581-R614 VanDerWaalsContact OE1-CD 3.28Å; E581-R614 WeakPolarHBondContact OE1-CD 3.43Å; E581-R614 IonicContact OE1-NH1 2.75Å; Y592-R614 HydrophobicContact CD1-CG 3.86Å; Y592-R614 HydrophobicContact CD2-CG 4.49Å; Y592-R614 HydrophobicContact CG-CG 3.81Å; Y594-R614 HydrophobicContact CD1-CB 3.95Å; Y594-R614 HydrophobicContact CD1-CG 4.14Å; Y594-R614 HydrophobicContact CE1-CB 3.69Å; Y594-R614 HydrophobicContact CE1-CG 3.54Å; Y594-R614 WeakPolarHBondContact OH-CD 3.29Å
615	S	94.8	Very high	91.6	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	171.4	179.6	71.2	0	0	0	0	111.4	Y592 N593 V617	Y592-S615 WeakPolarHBondContact CA-O 3.23Å; N593-S615 PolarHBondContact N-O 2.9Å; N593-S615 PolarHBondContact O-N 3.23Å; S615-V617 VanDerWaalsContact C-N 3.35Å; S615-V617 PolarHBondContact OG-N 3.43Å
616	T	95.1	Very high	92.6	Very high	17 Å²	17	41.2 Å²	41.2	10%	0.104	20%	0.202	C	C	.	.			trans	-98.5	16.6	171.4	55.5	0	0	0	0	111.8	P247 P250 Y592 H618	P247-T616 WeakPolarHBondContact CD-O 3.06Å; P247-T616 WeakPolarHBondContact O-CB 3.37Å; P247-T616 PolarHBondContact O-OG1 2.87Å; P250-T616 HydrophobicContact CB-CG2 4.16Å; P250-T616 HydrophobicContact CG-CG2 4.03Å; Y592-T616 HydrophobicContact CD1-CG2 4Å; Y592-T616 HydrophobicContact CE1-CG2 4.16Å; T616-H618 PolarHBondContact O-CD2 2.88Å
617	V	96.6	Very high	93.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.165	C	C	.	.			trans	-82.8	123.6	-173.9	-177.8	0	0	0	0	111.1	I244 A246 K558 L561 A562 N593 S615	I244-V617 HydrophobicContact CG2-CG1 3.75Å; A246-V617 HydrophobicContact CB-CB 4.47Å; A246-V617 HydrophobicContact CB-CG2 3.93Å; K558-V617 HydrophobicContact CG-CG1 3.76Å; L561-V617 HydrophobicContact CB-CG2 4.1Å; L561-V617 HydrophobicContact CD2-CG1 3.99Å; L561-V617 HydrophobicContact CD2-CG2 3.8Å; L561-V617 HydrophobicContact CG-CG2 3.65Å; A562-V617 HydrophobicContact CB-CB 4.39Å; A562-V617 HydrophobicContact CB-CG2 4.07Å; N593-V617 WeakPolarHBondContact CB-O 3.45Å; N593-V617 PolarHBondContact ND2-O 2.76Å; S615-V617 VanDerWaalsContact C-N 3.35Å; S615-V617 PolarHBondContact OG-N 3.43Å
618	H	94.9	Very high	94.1	Very high	22 Å²	22	32.8 Å²	32.8	10%	0.102	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	169	-179.3	-63.6	-75.6	0	0	0	111.9	W245 T616	W245-H618 HydrophobicContact CD2-CB 3.95Å; W245-H618 VanDerWaalsContact CE2-CB 3.41Å; W245-H618 HydrophobicContact CE3-CB 4.36Å; W245-H618 HydrophobicContact CH2-CB 3.86Å; W245-H618 AromaticContact CH2-CD2 3.61Å; W245-H618 AromaticContact CH2-CG 3.89Å; W245-H618 HydrophobicContact CZ2-CB 3.37Å; W245-H618 AromaticContact CZ2-CG 3.86Å; W245-H618 HydrophobicContact CZ3-CB 4.33Å; W245-H618 AromaticContact CZ3-CD2 3.82Å; W245-H618 PolarHBondContact N-O 2.74Å; W245-H618 PolarHBondContact O-N 2.76Å; T616-H618 PolarHBondContact O-CD2 2.88Å
619	W	92.9	Very high	94.6	Very high	66 Å²	66	33.7 Å²	33.7	25%	0.25	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	149.4	180	-69	52	0	0	0	107.8	Q242 N243 W245 A550 T554 I555 K558	Q242-W619 HydrophobicContact CB-CD2 4.24Å; Q242-W619 HydrophobicContact CB-CE3 3.17Å; Q242-W619 HydrophobicContact CB-CZ3 3.44Å; Q242-W619 VanDerWaalsContact CB-CZ3 3.44Å; Q242-W619 HydrophobicContact CG-CE3 3.39Å; Q242-W619 HydrophobicContact CG-CZ3 3.67Å; N243-W619 WeakPolarHBondContact O-CA 3.25Å; W245-W619 PolarHBondContact NE1-O 3.18Å; A550-W619 HydrophobicContact CB-CH2 3.48Å; A550-W619 VanDerWaalsContact CB-CH2 3.48Å; A550-W619 HydrophobicContact CB-CZ3 3.31Å; T554-W619 HydrophobicContact CG2-CE3 4.2Å; T554-W619 HydrophobicContact CG2-CH2 3.3Å; T554-W619 HydrophobicContact CG2-CZ2 4.07Å; T554-W619 HydrophobicContact CG2-CZ3 3.35Å; I555-W619 HydrophobicContact CG1-CH2 4.46Å; K558-W619 HydrophobicContact CB-CZ2 3.62Å; K558-W619 HydrophobicContact CD-CZ2 3.62Å; K558-W619 HydrophobicContact CG-CZ2 3.94Å
620	S	94.7	Very high	95.1	Very high	13 Å²	13	35.8 Å²	35.8	9%	0.091	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	141.3	165.2	57	0	0	0	0	108.7	Q242 N243 A622	Q242-S620 CarbonylContact C-O 3.59Å; Q242-S620 WeakPolarHBondContact CA-O 3.37Å; Q242-S620 VanDerWaalsContact OE1-C 3.3Å; Q242-S620 PolarHBondContact OE1-O 2.86Å; N243-S620 WeakPolarHBondContact CB-OG 3.24Å; N243-S620 PolarHBondContact N-O 3.32Å; N243-S620 PolarHBondContact O-N 3.27Å; S620-A622 PolarHBondContact O-N 3.22Å
621	R	95.3	Very high	95.3	Very high	121 Å²	121	38.1 Å²	38.1	46%	0.457	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	132.5	-177	-61.5	-169.8	72.2	-166.5	0.4	110.6	K331 E547 I623	K331-R621 WeakPolarHBondContact CG-O 3.39Å; E547-R621 IonicContact OE2-CZ 2.94Å; E547-R621 IonicContact OE2-NE 3.16Å; E547-R621 IonicContact OE2-NH2 3.36Å; E547-R621 PolarHBondContact OE2-NH2 3.08Å; R621-I623 HydrophobicContact CB-CG2 4.33Å
622	A	96.1	Very high	95.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	77.3	172.4	0	0	0	0	0	108.4	S240 D241 N243 H320 I327 S620	S240-A622 WeakPolarHBondContact CA-O 3.39Å; S240-A622 WeakPolarHBondContact CB-O 3.3Å; D241-A622 PolarHBondContact N-O 3.43Å; D241-A622 WeakPolarHBondContact O-CA 3.24Å; D241-A622 WeakPolarHBondContact O-CB 3.34Å; D241-A622 PolarHBondContact O-N 3.01Å; N243-A622 WeakPolarHBondContact OD1-CB 3.3Å; H320-A622 HydrophobicContact CB-CB 4.3Å; I327-A622 WeakPolarHBondContact CG2-O 3.23Å; S620-A622 PolarHBondContact O-N 3.22Å
623	I	96.4	Very high	95.3	Very high	14 Å²	14	42.2 Å²	42.2	7%	0.072	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.9	173.7	-175.6	167.3	0	0	0	108.4	P238 K331 R621 F627	P238-I623 HydrophobicContact CB-CD1 4.14Å; P238-I623 HydrophobicContact CB-CG1 4.47Å; P238-I623 HydrophobicContact CG-CD1 3.91Å; K331-I623 VanDerWaalsContact CB-O 3.3Å; K331-I623 WeakPolarHBondContact CB-O 3.48Å; K331-I623 VanDerWaalsContact CD-O 3.3Å; K331-I623 WeakPolarHBondContact CD-O 3.38Å; K331-I623 WeakPolarHBondContact CG-O 3.47Å; R621-I623 HydrophobicContact CB-CG2 4.33Å; I623-F627 HydrophobicContact CD1-CB 4.2Å; I623-F627 HydrophobicContact CG1-CB 4.33Å; I623-F627 HydrophobicContact CG1-CD2 4.24Å
624	S	97.4	Very high	95.2	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.007	20%	0.204	C	C	.	.			trans	-62.5	136.2	-175.6	176.7	0	0	0	0	111.5	A626 F627 S638	S624-A626 PolarHBondContact O-N 3.43Å; S624-A626 PolarHBondContact OG-N 2.81Å; S624-F627 PolarHBondContact O-N 3.35Å; S624-S638 WeakPolarHBondContact CB-O 3.43Å; S624-S638 PolarHBondContact OG-N 3.19Å; S624-S638 PolarHBondContact OG-O 3.09Å
625	P	97.2	Very high	94.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-55.1	-22.5	175	-27.3	35.5	0	0	0	114.3	K331 Y334 F627 E628 L629 Y637	K331-P625 HydrophobicContact CD-CG 4.28Å; Y334-P625 HydrophobicContact CD1-CB 4.02Å; Y334-P625 HydrophobicContact CD1-CG 3.96Å; Y334-P625 HydrophobicContact CD2-CB 3.91Å; Y334-P625 HydrophobicContact CD2-CG 4.13Å; Y334-P625 HydrophobicContact CE1-CB 4.32Å; Y334-P625 HydrophobicContact CE2-CB 4.22Å; Y334-P625 HydrophobicContact CG-CB 3.81Å; Y334-P625 HydrophobicContact CG-CG 3.62Å; P625-F627 PolarHBondContact O-N 3.48Å; P625-E628 PolarHBondContact O-N 3.38Å; P625-L629 WeakPolarHBondContact O-CB 3.31Å; P625-L629 VanDerWaalsContact O-CG 3.3Å; P625-L629 WeakPolarHBondContact O-CG 3.15Å; P625-L629 PolarHBondContact O-N 3.05Å; P625-Y637 HydrophobicContact CB-CD1 3.81Å; P625-Y637 HydrophobicContact CB-CD2 4.02Å; P625-Y637 HydrophobicContact CB-CE1 3.87Å; P625-Y637 HydrophobicContact CB-CE2 4.1Å; P625-Y637 HydrophobicContact CB-CG 3.89Å; P625-Y637 HydrophobicContact CG-CD1 3.69Å; P625-Y637 HydrophobicContact CG-CE1 3.74Å; P625-Y637 HydrophobicContact CG-CG 4.24Å
626	A	97.1	Very high	94.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-54.2	-35.3	173.6	0	0	0	0	0	113	S624 E630 N631 T634 S638 T639	S624-A626 PolarHBondContact O-N 3.43Å; S624-A626 PolarHBondContact OG-N 2.81Å; A626-E630 PolarHBondContact O-N 3.07Å; A626-N631 PolarHBondContact O-N 3.26Å; A626-T634 HydrophobicContact CB-CG2 3.77Å; A626-S638 WeakPolarHBondContact CB-O 3.05Å; A626-T639 HydrophobicContact CB-CG2 4Å
627	F	95.7	Very high	94.7	Very high	21 Å²	21	49.4 Å²	49.4	9%	0.092	25%	0.247	C	C	.	.	H	α-helix	trans	-82.6	-28.2	-178	-61.5	-77.1	0	0	0	113.1	T217 M221 P238 I623 S624 P625 Y632 W640 T641	T217-F627 HydrophobicContact CG2-CE1 3.85Å; T217-F627 HydrophobicContact CG2-CZ 4.16Å; M221-F627 HydrophobicContact CE-CD1 4.23Å; M221-F627 HydrophobicContact CG-CE1 4.32Å; M221-F627 HydrophobicContact SD-CE1 4.35Å; P238-F627 HydrophobicContact CB-CD1 3.96Å; P238-F627 HydrophobicContact CB-CD2 3.81Å; P238-F627 HydrophobicContact CB-CE1 3.93Å; P238-F627 HydrophobicContact CB-CE2 3.78Å; P238-F627 HydrophobicContact CB-CG 3.91Å; P238-F627 HydrophobicContact CB-CZ 3.84Å; I623-F627 HydrophobicContact CD1-CB 4.2Å; I623-F627 HydrophobicContact CG1-CB 4.33Å; I623-F627 HydrophobicContact CG1-CD2 4.24Å; S624-F627 PolarHBondContact O-N 3.35Å; P625-F627 PolarHBondContact O-N 3.48Å; F627-Y632 AromaticContact CD1-CD1 3.94Å; F627-Y632 HydrophobicContact CD1-CD1 3.94Å; F627-Y632 AromaticContact CD1-CE1 3.76Å; F627-Y632 HydrophobicContact CD1-CE1 3.76Å; F627-Y632 HydrophobicContact CE1-CD1 4.21Å; F627-Y632 HydrophobicContact CE1-CE1 4.4Å; F627-W640 WeakPolarHBondContact CZ-O 3.39Å; F627-T641 HydrophobicContact CE1-CG2 3.58Å; F627-T641 HydrophobicContact CZ-CG2 3.59Å
628	E	94.3	Very high	94.7	Very high	79 Å²	79	49.5 Å²	49.5	37%	0.369	25%	0.248	S	C	.	.	H	α-helix	trans	-76.2	-34	172.7	-67.2	-174.2	165.4	0	0	112.4	K331 P625 E630	K331-E628 WeakPolarHBondContact CE-OE1 3.32Å; K331-E628 IonicContact NZ-OE1 2.88Å; K331-E628 PolarHBondContact NZ-OE1 3.38Å; K331-E628 IonicContact NZ-OE2 2.74Å; K331-E628 PolarHBondContact NZ-OE2 2.96Å; P625-E628 PolarHBondContact O-N 3.38Å; E628-E630 VanDerWaalsContact C-N 3.26Å
629	L	95.7	Very high	94.8	Very high	86 Å²	86	48.9 Å²	48.9	45%	0.45	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-6.3	175.3	-65.1	172.9	0	0	0	113	Y334 P625 N631 Y637	Y334-L629 HydrophobicContact CE2-CD1 4.31Å; Y334-L629 WeakPolarHBondContact OH-CD2 3.5Å; P625-L629 WeakPolarHBondContact O-CB 3.31Å; P625-L629 VanDerWaalsContact O-CG 3.3Å; P625-L629 WeakPolarHBondContact O-CG 3.15Å; P625-L629 PolarHBondContact O-N 3.05Å; L629-N631 HydrophobicContact CB-CB 4.39Å; L629-N631 PolarHBondContact O-N 3.18Å; L629-N631 VanDerWaalsContact O-N 3.11Å; L629-Y637 HydrophobicContact CD1-CD2 4.27Å; L629-Y637 HydrophobicContact CD1-CE2 3.94Å
630	E	94.8	Very high	95	Very high	149 Å²	149	45.9 Å²	45.9	70%	0.696	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	27	-172.2	-58.3	-176.2	173.9	0	0	113.8	A626 E628	A626-E630 PolarHBondContact O-N 3.07Å; E628-E630 VanDerWaalsContact C-N 3.26Å
631	N	95.3	Very high	95.1	Very high	73 Å²	73	45.3 Å²	45.3	39%	0.39	23%	0.229	S	C	.	.			trans	-105.6	81.4	179.8	-174.4	3.2	0	0	0	110.9	A626 L629 T633 T634	A626-N631 PolarHBondContact O-N 3.26Å; L629-N631 HydrophobicContact CB-CB 4.39Å; L629-N631 PolarHBondContact O-N 3.18Å; L629-N631 VanDerWaalsContact O-N 3.11Å; N631-T633 VanDerWaalsContact C-N 3.27Å; N631-T633 PolarHBondContact O-N 2.91Å; N631-T633 PolarHBondContact OD1-OG1 3.23Å; N631-T634 VanDerWaalsContact O-CG2 3.25Å; N631-T634 WeakPolarHBondContact O-CG2 3.34Å
632	Y	93.9	Very high	95.2	Very high	47 Å²	47	39.6 Å²	39.6	18%	0.184	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-7.1	-174.2	-47.4	-45.2	0	0	0	114.8	S46 M221 F627 T639	S46-Y632 WeakPolarHBondContact CB-O 3.34Å; M221-Y632 HydrophobicContact CB-CD2 3.68Å; M221-Y632 HydrophobicContact CB-CE1 4.39Å; M221-Y632 HydrophobicContact CB-CE2 3.41Å; M221-Y632 VanDerWaalsContact CB-CE2 3.41Å; M221-Y632 HydrophobicContact CB-CG 4.27Å; M221-Y632 HydrophobicContact CE-CE1 4.33Å; M221-Y632 HydrophobicContact CG-CD1 4.3Å; M221-Y632 HydrophobicContact CG-CD2 4.21Å; M221-Y632 HydrophobicContact CG-CE1 4.22Å; M221-Y632 HydrophobicContact CG-CE2 4.11Å; M221-Y632 HydrophobicContact CG-CG 4.31Å; F627-Y632 AromaticContact CD1-CD1 3.94Å; F627-Y632 HydrophobicContact CD1-CD1 3.94Å; F627-Y632 AromaticContact CD1-CE1 3.76Å; F627-Y632 HydrophobicContact CD1-CE1 3.76Å; F627-Y632 HydrophobicContact CE1-CD1 4.21Å; F627-Y632 HydrophobicContact CE1-CE1 4.4Å; Y632-T639 WeakPolarHBondContact O-CG2 3.46Å
633	T	93.6	Very high	95.1	Very high	102 Å²	102	39.7 Å²	39.7	63%	0.626	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	4.5	179.7	49.5	0	0	0	0	113.2	P218 N631	P218-T633 HydrophobicContact CB-CG2 4.22Å; P218-T633 HydrophobicContact CG-CG2 3.67Å; N631-T633 VanDerWaalsContact C-N 3.27Å; N631-T633 PolarHBondContact O-N 2.91Å; N631-T633 PolarHBondContact OD1-OG1 3.23Å
634	T	92.6	Very high	95	Very high	19 Å²	19	43 Å²	43	12%	0.117	22%	0.22	C	C	.	.			trans	-65.7	148.1	-179	-172.5	0	0	0	0	112.4	A626 N631 E636 T639	A626-T634 HydrophobicContact CB-CG2 3.77Å; N631-T634 VanDerWaalsContact O-CG2 3.25Å; N631-T634 WeakPolarHBondContact O-CG2 3.34Å; T634-E636 PolarHBondContact OG1-N 3.14Å; T634-E636 VanDerWaalsContact OG1-N 3.08Å; T634-T639 HydrophobicContact CG2-CG2 3.98Å
635	S	87.9	Confident	94.8	Very high	107 Å²	107	47 Å²	47	75%	0.748	24%	0.235	S	C	*	.	S	Bend	trans	-99.5	-4.2	168.3	61	0	0	0	0	112.6
636	E	90.1	Very high	94.3	Very high	89 Å²	89	55 Å²	55	42%	0.416	27%	0.27	S	S	.	.	S	Bend	trans	-87.3	-39.7	-174.8	168.1	161.1	-131.3	0	0	113.2	R417 R420 T634	R417-E636 PolarHBondContact NH1-O 3.1Å; R417-E636 PolarHBondContact NH2-O 3.47Å; R417-E636 VanDerWaalsContact NH2-O 3.09Å; R420-E636 PolarHBondContact NH1-O 2.89Å; R420-E636 IonicContact NH2-OE1 3.25Å; T634-E636 PolarHBondContact OG1-N 3.14Å; T634-E636 VanDerWaalsContact OG1-N 3.08Å
637	Y	95.5	Very high	93.8	Very high	28 Å²	28	60.3 Å²	60.3	11%	0.11	30%	0.295	C	S	.	.	S	Bend	trans	-114.8	150.5	-177.2	-63.1	-61.5	0	0	0	110.3	S330 Y334 P625 L629	S330-Y637 WeakPolarHBondContact OG-CD1 3.19Å; Y334-Y637 HydrophobicContact CD2-CE1 4.48Å; Y334-Y637 WeakPolarHBondContact CD2-OH 3.37Å; P625-Y637 HydrophobicContact CB-CD1 3.81Å; P625-Y637 HydrophobicContact CB-CD2 4.02Å; P625-Y637 HydrophobicContact CB-CE1 3.87Å; P625-Y637 HydrophobicContact CB-CE2 4.1Å; P625-Y637 HydrophobicContact CB-CG 3.89Å; P625-Y637 HydrophobicContact CG-CD1 3.69Å; P625-Y637 HydrophobicContact CG-CE1 3.74Å; P625-Y637 HydrophobicContact CG-CG 4.24Å; L629-Y637 HydrophobicContact CD1-CD2 4.27Å; L629-Y637 HydrophobicContact CD1-CE2 3.94Å
638	S	96.8	Very high	93.6	Very high	3 Å²	3	61.5 Å²	61.5	2%	0.021	30%	0.302	C	S	.	.			trans	-59.6	139.9	176.8	176.6	0	0	0	0	111.3	F324 I327 S624 A626 W640	F324-S638 WeakPolarHBondContact O-CB 3.28Å; F324-S638 PolarHBondContact O-OG 3.14Å; I327-S638 WeakPolarHBondContact CG1-OG 3.49Å; S624-S638 WeakPolarHBondContact CB-O 3.43Å; S624-S638 PolarHBondContact OG-N 3.19Å; S624-S638 PolarHBondContact OG-O 3.09Å; A626-S638 WeakPolarHBondContact CB-O 3.05Å; S638-W640 VanDerWaalsContact OG-CD1 3.31Å
639	T	97.1	Very high	93.5	Very high	8 Å²	8	61.4 Å²	61.4	5%	0.049	30%	0.3	C	S	.	.			trans	-124.6	24.4	179.6	60.4	0	0	0	0	111.3	S46 T217 A626 Y632 T634 T641	S46-T639 WeakPolarHBondContact CB-OG1 3.31Å; S46-T639 PolarHBondContact N-OG1 3.33Å; T217-T639 WeakPolarHBondContact CB-O 3.43Å; T217-T639 WeakPolarHBondContact CG2-O 3.47Å; T217-T639 PolarHBondContact OG1-O 3.13Å; A626-T639 HydrophobicContact CB-CG2 4Å; Y632-T639 WeakPolarHBondContact O-CG2 3.46Å; T634-T639 HydrophobicContact CG2-CG2 3.98Å; T639-T641 PolarHBondContact O-N 2.75Å
640	W	97.3	Very high	93.4	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.015	28%	0.28	C	S	.	.			trans	-68.4	127.3	-177.6	-73.4	105.6	0	0	0	111.2	L43 L44 N45 I50 Y163 L239 F324 D325 F627 S638	L43-W640 HydrophobicContact CB-CE3 4.04Å; L43-W640 HydrophobicContact CB-CZ3 4.05Å; L44-W640 CarbonylContact O-C 3.51Å; L44-W640 VanDerWaalsContact O-CA 3.31Å; L44-W640 WeakPolarHBondContact O-CA 3.22Å; N45-W640 HydrophobicContact CB-CD2 4.12Å; N45-W640 HydrophobicContact CB-CE3 4Å; N45-W640 HydrophobicContact CB-CH2 3.99Å; N45-W640 HydrophobicContact CB-CZ2 4.11Å; N45-W640 HydrophobicContact CB-CZ3 3.92Å; I50-W640 HydrophobicContact CD1-CH2 3.5Å; I50-W640 HydrophobicContact CD1-CZ3 3.45Å; I50-W640 VanDerWaalsContact CD1-CZ3 3.45Å; I50-W640 HydrophobicContact CG1-CH2 4.22Å; I50-W640 HydrophobicContact CG1-CZ3 3.85Å; Y163-W640 HydrophobicContact CD1-CH2 4.32Å; Y163-W640 HydrophobicContact CE1-CH2 4.2Å; Y163-W640 HydrophobicContact CE1-CZ2 4.02Å; L239-W640 HydrophobicContact CD1-CB 3.73Å; L239-W640 HydrophobicContact CG-CB 4.2Å; L239-W640 PolarHBondContact N-O 3.27Å; L239-W640 VanDerWaalsContact N-O 3.15Å; F324-W640 HydrophobicContact CB-CB 4.41Å; F324-W640 HydrophobicContact CB-CG 4.14Å; F324-W640 HydrophobicContact CD1-CB 4.31Å; F324-W640 AromaticContact CD1-CD2 3.99Å; F324-W640 HydrophobicContact CD1-CD2 3.99Å; F324-W640 AromaticContact CD1-CG 3.84Å; F324-W640 HydrophobicContact CD1-CG 3.84Å; F324-W640 HydrophobicContact CG-CG 4.43Å; D325-W640 PolarHBondContact OD2-NE1 3.28Å; F627-W640 WeakPolarHBondContact CZ-O 3.39Å; S638-W640 VanDerWaalsContact OG-CD1 3.31Å
641	T	97.2	Very high	93.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	153.2	171	53.7	0	0	0	0	110	L43 L44 T217 M221 D237 F627 T639	L43-T641 CarbonylContact C-O 3.58Å; L43-T641 VanDerWaalsContact CA-O 3.32Å; L43-T641 WeakPolarHBondContact CA-O 3.43Å; L44-T641 WeakPolarHBondContact CB-OG1 3.48Å; L44-T641 WeakPolarHBondContact CD1-OG1 3.37Å; L44-T641 PolarHBondContact N-O 2.88Å; L44-T641 PolarHBondContact O-N 2.96Å; T217-T641 HydrophobicContact CG2-CG2 3.47Å; T217-T641 VanDerWaalsContact CG2-CG2 3.47Å; T217-T641 PolarHBondContact OG1-OG1 2.89Å; M221-T641 HydrophobicContact SD-CG2 4.25Å; D237-T641 CarbonylContact O-C 3.07Å; D237-T641 WeakPolarHBondContact O-CA 3.23Å; D237-T641 WeakPolarHBondContact O-CB 3.46Å; F627-T641 HydrophobicContact CE1-CG2 3.58Å; F627-T641 HydrophobicContact CZ-CG2 3.59Å; T639-T641 PolarHBondContact O-N 2.75Å
642	E	96.4	Very high	93.5	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.009	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	132.2	173.7	177.7	157	-153.9	0	0	109.7	V41 L43 C236 D237 L239 Y543 V546 W645	V41-E642 WeakPolarHBondContact CG2-OE1 3.44Å; L43-E642 HydrophobicContact CD2-CB 3.7Å; L43-E642 HydrophobicContact CD2-CG 3.86Å; C236-E642 CarbonylContact C-O 3.53Å; C236-E642 WeakPolarHBondContact CA-O 3.49Å; C236-E642 WeakPolarHBondContact CB-O 3.28Å; D237-E642 PolarHBondContact N-O 2.9Å; D237-E642 PolarHBondContact O-N 3.46Å; L239-E642 HydrophobicContact CD2-CB 3.66Å; Y543-E642 WeakPolarHBondContact CE1-OE2 3.5Å; Y543-E642 PolarHBondContact OH-OE1 3.46Å; Y543-E642 PolarHBondContact OH-OE2 2.94Å; V546-E642 HydrophobicContact CG2-CB 3.89Å; V546-E642 HydrophobicContact CG2-CG 4.32Å; E642-W645 HydrophobicContact CG-CH2 3.94Å; E642-W645 HydrophobicContact CG-CZ3 3.54Å; E642-W645 WeakPolarHBondContact OE1-CH2 3.35Å; E642-W645 VanDerWaalsContact OE1-CZ3 3.24Å; E642-W645 WeakPolarHBondContact OE1-CZ3 3.18Å
643	S	95.9	Very high	93.6	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.007	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	142.3	176.5	-179.9	0	0	0	0	109.9	R42 M211 S212 A213 W645	R42-S643 WeakPolarHBondContact O-CB 3.49Å; R42-S643 PolarHBondContact O-N 2.98Å; M211-S643 WeakPolarHBondContact CB-OG 3.35Å; S212-S643 PolarHBondContact N-OG 3.26Å; S212-S643 VanDerWaalsContact N-OG 3.08Å; A213-S643 WeakPolarHBondContact CB-OG 3.24Å; A213-S643 PolarHBondContact N-OG 3.43Å; S643-W645 WeakPolarHBondContact O-CZ3 3.44Å
644	R	94.1	Very high	93.8	Very high	84 Å²	84	47.7 Å²	47.7	32%	0.317	23%	0.226	S	C	.	.			trans	-76.8	145.9	165.8	-71.3	-163.4	174.3	-167.4	-0	111.3	S212 M234 V235 D237	S212-R644 VanDerWaalsContact CB-O 3.3Å; S212-R644 WeakPolarHBondContact CB-O 3.48Å; S212-R644 PolarHBondContact N-O 2.72Å; S212-R644 PolarHBondContact OG-O 2.9Å; M234-R644 WeakPolarHBondContact O-CD 3.21Å; M234-R644 PolarHBondContact SD-NH2 3.24Å; M234-R644 VanDerWaalsContact SD-NH2 3.39Å; V235-R644 PolarHBondContact O-N 3.44Å; D237-R644 IonicContact OD1-CZ 2.63Å; D237-R644 IonicContact OD1-NE 2.66Å; D237-R644 PolarHBondContact OD1-NE 3.31Å; D237-R644 IonicContact OD1-NH2 3.27Å; D237-R644 PolarHBondContact OD1-NH2 2.94Å; D237-R644 VanDerWaalsContact OD2-CG 3.32Å; D237-R644 WeakPolarHBondContact OD2-CG 3.45Å; D237-R644 IonicContact OD2-CZ 3.93Å; D237-R644 IonicContact OD2-NE 3.55Å; D237-R644 PolarHBondContact OD2-NE 3.03Å; D237-R644 IonicContact OD2-NH2 3.39Å; D237-R644 PolarHBondContact OD2-NH2 3.22Å
645	W	92.3	Very high	93.9	Very high	85 Å²	85	48.2 Å²	48.2	32%	0.322	23%	0.23	S	C	.	.			trans	-130.8	158.7	171	55.6	86.7	0	0	0	109.7	V41 H210 M211 E642 S643 I648	V41-W645 HydrophobicContact CB-CZ3 4.25Å; V41-W645 HydrophobicContact CG1-CE3 4.48Å; V41-W645 HydrophobicContact CG1-CH2 4.29Å; V41-W645 HydrophobicContact CG1-CZ3 4.12Å; H210-W645 WeakPolarHBondContact O-CB 3.34Å; M211-W645 HydrophobicContact CE-CB 4.35Å; M211-W645 HydrophobicContact CE-CD2 4.4Å; M211-W645 HydrophobicContact CE-CE3 4.09Å; M211-W645 HydrophobicContact SD-CB 4.17Å; M211-W645 HydrophobicContact SD-CD2 4.41Å; M211-W645 HydrophobicContact SD-CE3 3.72Å; E642-W645 HydrophobicContact CG-CH2 3.94Å; E642-W645 HydrophobicContact CG-CZ3 3.54Å; E642-W645 WeakPolarHBondContact OE1-CH2 3.35Å; E642-W645 VanDerWaalsContact OE1-CZ3 3.24Å; E642-W645 WeakPolarHBondContact OE1-CZ3 3.18Å; S643-W645 WeakPolarHBondContact O-CZ3 3.44Å; W645-I648 HydrophobicContact CB-CD1 4.43Å; W645-I648 HydrophobicContact CB-CG1 4.49Å; W645-I648 HydrophobicContact CD2-CD1 4.05Å; W645-I648 HydrophobicContact CG-CD1 3.71Å; W645-I648 HydrophobicContact CG-CG1 4.07Å
646	K	87	Confident	94.2	Very high	169 Å²	169	45 Å²	45	74%	0.735	21%	0.209	S	C	*	.	S	Bend	trans	-101.7	-52.6	-179.3	-71.3	-176.8	177.8	177.3	0	112.3	E233	E233-K646 IonicContact OE1-NZ 2.81Å; E233-K646 PolarHBondContact OE1-NZ 3.47Å
647	E	85.6	Confident	94.3	Very high	110 Å²	110	41.9 Å²	41.9	51%	0.514	20%	0.197	S	C	.	.			trans	-140.1	128.5	-176.5	-166	-177.8	-174.8	0	0	109.1	K649	E647-K649 VanDerWaalsContact CD-CE 3.46Å; E647-K649 HydrophobicContact CG-CD 4.28Å; E647-K649 HydrophobicContact CG-CG 4.44Å; E647-K649 VanDerWaalsContact OE1-CD 3.31Å; E647-K649 WeakPolarHBondContact OE1-CD 3.33Å; E647-K649 WeakPolarHBondContact OE1-CE 3.47Å; E647-K649 IonicContact OE1-NZ 3.65Å; E647-K649 PolarHBondContact OE1-NZ 2.95Å; E647-K649 WeakPolarHBondContact OE2-CE 3.25Å; E647-K649 IonicContact OE2-NZ 3.74Å; E647-K649 PolarHBondContact OE2-NZ 3.47Å
648	I	91.4	Very high	94.1	Very high	46 Å²	46	46.1 Å²	46.1	24%	0.236	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.3	173.4	-59.6	-172.6	0	0	0	107.6	P39 F171 S208 M211 W645	P39-I648 HydrophobicContact CB-CD1 4.06Å; P39-I648 HydrophobicContact CB-CG2 3.85Å; P39-I648 HydrophobicContact CG-CD1 3.57Å; P39-I648 HydrophobicContact CG-CG2 3.85Å; F171-I648 HydrophobicContact CE2-CG2 3.89Å; F171-I648 HydrophobicContact CZ-CG2 3.63Å; S208-I648 VanDerWaalsContact O-CA 3.24Å; S208-I648 WeakPolarHBondContact O-CA 3.42Å; M211-I648 HydrophobicContact CE-CD1 4.37Å; W645-I648 HydrophobicContact CB-CD1 4.43Å; W645-I648 HydrophobicContact CB-CG1 4.49Å; W645-I648 HydrophobicContact CD2-CD1 4.05Å; W645-I648 HydrophobicContact CG-CD1 3.71Å; W645-I648 HydrophobicContact CG-CG1 4.07Å
649	K	93.6	Very high	93.9	Very high	78 Å²	78	52.1 Å²	52.1	34%	0.339	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	148.8	-178.7	58.6	179.3	167.9	-157.4	0	112.4	S208 E647	S208-K649 PolarHBondContact N-O 2.93Å; S208-K649 PolarHBondContact O-N 3.39Å; E647-K649 VanDerWaalsContact CD-CE 3.46Å; E647-K649 HydrophobicContact CG-CD 4.28Å; E647-K649 HydrophobicContact CG-CG 4.44Å; E647-K649 VanDerWaalsContact OE1-CD 3.31Å; E647-K649 WeakPolarHBondContact OE1-CD 3.33Å; E647-K649 WeakPolarHBondContact OE1-CE 3.47Å; E647-K649 IonicContact OE1-NZ 3.65Å; E647-K649 PolarHBondContact OE1-NZ 2.95Å; E647-K649 WeakPolarHBondContact OE2-CE 3.25Å; E647-K649 IonicContact OE2-NZ 3.74Å; E647-K649 PolarHBondContact OE2-NZ 3.47Å
650	G	93.8	Very high	93.8	Very high	3 Å²	3	56 Å²	56	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	144.6	169.4	0	0	0	0	0	111.3	L34 Q206	L34-G650 PolarHBondContact N-O 2.89Å; Q206-G650 WeakPolarHBondContact O-CA 3.38Å
651	R	95.1	Very high	93.6	Very high	53 Å²	53	60.8 Å²	60.8	20%	0.2	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	151.6	171.7	63	-176	-177.9	173.9	0.3	112.1	Y31 V32 M205 Q206 F653	Y31-R651 HydrophobicContact CD1-CG 4.25Å; Y31-R651 VanDerWaalsContact CE1-CZ 3.48Å; V32-R651 CarbonylContact O-C 3.49Å; V32-R651 WeakPolarHBondContact O-CA 3.4Å; V32-R651 WeakPolarHBondContact O-CB 3.33Å; M205-R651 CarbonylContact C-O 3.48Å; M205-R651 WeakPolarHBondContact CA-O 3.23Å; Q206-R651 HydrophobicContact CB-CG 4.08Å; Q206-R651 PolarHBondContact N-O 3.48Å; Q206-R651 PolarHBondContact O-N 2.86Å; R651-F653 HydrophobicContact CG-CD1 4.4Å; R651-F653 HydrophobicContact CG-CE1 4.46Å
652	I	96.1	Very high	93.5	Very high	5 Å²	5	65.5 Å²	65.5	3%	0.026	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	151.5	172.5	67.6	170.5	0	0	0	111.4	V32 L34 L63 L181 I182 C185 A204 M205	V32-I652 HydrophobicContact CB-CG1 3.86Å; V32-I652 HydrophobicContact CG2-CG1 4.47Å; V32-I652 PolarHBondContact N-O 3.5Å; V32-I652 PolarHBondContact O-N 2.94Å; L34-I652 HydrophobicContact CD2-CG2 4.46Å; L63-I652 HydrophobicContact CD1-CG2 4.35Å; L181-I652 HydrophobicContact CD2-CD1 3.6Å; L181-I652 HydrophobicContact CD2-CG1 4.41Å; L181-I652 HydrophobicContact CG-CD1 4.15Å; I182-I652 HydrophobicContact CG1-CD1 4.14Å; I182-I652 HydrophobicContact CG1-CG2 4.02Å; C185-I652 HydrophobicContact CB-CD1 4.44Å; A204-I652 VanDerWaalsContact O-CA 3.32Å; A204-I652 WeakPolarHBondContact O-CA 3.21Å; M205-I652 HydrophobicContact CB-CG2 3.9Å; M205-I652 HydrophobicContact CG-CG2 3.96Å; M205-I652 HydrophobicContact SD-CG2 4.09Å
653	F	96.8	Very high	93.6	Very high	25 Å²	25	70.7 Å²	70.7	11%	0.11	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	168	179.9	54.5	-83.1	0	0	0	111.2	I30 Y31 V60 A204 Q206 R651 V655	I30-F653 HydrophobicContact CG2-CB 4.08Å; I30-F653 WeakPolarHBondContact O-CA 3.37Å; I30-F653 WeakPolarHBondContact O-CB 3.32Å; Y31-F653 HydrophobicContact CD1-CB 3.73Å; Y31-F653 AromaticContact CD1-CD1 3.49Å; Y31-F653 HydrophobicContact CD1-CD1 3.49Å; Y31-F653 VanDerWaalsContact CD1-CD1 3.49Å; Y31-F653 HydrophobicContact CD1-CE1 4.21Å; Y31-F653 AromaticContact CD1-CG 3.71Å; Y31-F653 HydrophobicContact CD1-CG 3.71Å; Y31-F653 HydrophobicContact CE1-CB 4.05Å; Y31-F653 AromaticContact CE1-CD1 3.54Å; Y31-F653 HydrophobicContact CE1-CD1 3.54Å; Y31-F653 HydrophobicContact CE1-CD2 4.11Å; Y31-F653 AromaticContact CE1-CE1 3.9Å; Y31-F653 HydrophobicContact CE1-CE1 3.9Å; Y31-F653 HydrophobicContact CE1-CE2 4.43Å; Y31-F653 AromaticContact CE1-CG 3.64Å; Y31-F653 HydrophobicContact CE1-CG 3.64Å; Y31-F653 HydrophobicContact CE1-CZ 4.33Å; V60-F653 HydrophobicContact CG1-CE2 4.37Å; V60-F653 HydrophobicContact CG1-CZ 3.69Å; V60-F653 HydrophobicContact CG2-CZ 4.29Å; A204-F653 HydrophobicContact CB-CE2 4.45Å; A204-F653 PolarHBondContact N-O 2.87Å; A204-F653 PolarHBondContact O-N 2.93Å; A204-F653 VanDerWaalsContact O-O 3.13Å; Q206-F653 HydrophobicContact CB-CE1 3.83Å; Q206-F653 HydrophobicContact CB-CZ 4.48Å; R651-F653 HydrophobicContact CG-CD1 4.4Å; R651-F653 HydrophobicContact CG-CE1 4.46Å; F653-V655 HydrophobicContact CD2-CG1 3.96Å; F653-V655 HydrophobicContact CE2-CG1 3.58Å
654	L	96.6	Very high	93.6	Very high	82 Å²	82	74.9 Å²	74.9	43%	0.429	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	137.7	173.9	-63.4	-179.7	0	0	0	111.3	P201 L202 C203	P201-L654 HydrophobicContact CB-CB 4.3Å; P201-L654 HydrophobicContact CG-CD1 4.37Å; L202-L654 CarbonylContact O-C 3.46Å; L202-L654 VanDerWaalsContact O-CA 3.3Å; L202-L654 WeakPolarHBondContact O-CA 3.27Å; C203-L654 HydrophobicContact CB-CD2 4.18Å
655	V	95	Very high	93.7	Very high	31 Å²	31	75.5 Å²	75.5	19%	0.188	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	140.5	174.7	-67.5	0	0	0	0	111.1	Y200 P201 L202 A204 F653	Y200-V655 WeakPolarHBondContact CD1-O 3.36Å; Y200-V655 HydrophobicContact CE1-CG2 4.39Å; P201-V655 WeakPolarHBondContact CA-O 3.46Å; L202-V655 HydrophobicContact CB-CG2 3.82Å; L202-V655 PolarHBondContact N-O 3.44Å; L202-V655 VanDerWaalsContact N-O 3.12Å; L202-V655 WeakPolarHBondContact O-CG2 3.5Å; L202-V655 PolarHBondContact O-N 3.39Å; A204-V655 HydrophobicContact CB-CB 4.5Å; A204-V655 HydrophobicContact CB-CG1 3.58Å; A204-V655 HydrophobicContact CB-CG2 4.13Å; F653-V655 HydrophobicContact CD2-CG1 3.96Å; F653-V655 HydrophobicContact CE2-CG1 3.58Å
656	A	94.1	Very high	94	Very high	39 Å²	39	73.5 Å²	73.5	32%	0.322	38%	0.383	S	S	.	.			trans	-82.1	163.6	172.5	0	0	0	0	0	111.1	Y200 L660 E661	Y200-A656 VanDerWaalsContact CE1-O 3.23Å; Y200-A656 WeakPolarHBondContact CE1-O 3.41Å; A656-L660 HydrophobicContact CB-CD2 4.24Å; A656-E661 HydrophobicContact CB-CG 4.39Å
657	S	93.4	Very high	94.5	Very high	23 Å²	23	69.5 Å²	69.5	16%	0.161	37%	0.373	C	S	.	.			trans	-69.4	143.3	170.4	57.9	0	0	0	0	110.3	Y200 D659 L660 E661	Y200-S657 VanDerWaalsContact CD2-CB 3.46Å; S657-D659 PolarHBondContact O-N 2.94Å; S657-L660 WeakPolarHBondContact O-CB 3.36Å; S657-L660 PolarHBondContact O-N 3.47Å; S657-L660 WeakPolarHBondContact OG-CB 3.35Å; S657-L660 PolarHBondContact OG-N 3.43Å; S657-E661 PolarHBondContact O-N 2.87Å; S657-E661 VanDerWaalsContact O-N 3.14Å
658	H	90.7	Very high	95	Very high	117 Å²	117	66.3 Å²	66.3	54%	0.542	37%	0.369	S	S	.	.	H	α-helix	trans	-55	-36	173.9	-170.2	58.7	0	0	0	112.5	L660 E661 M662	H658-L660 VanDerWaalsContact C-N 3.32Å; H658-L660 PolarHBondContact O-N 2.99Å; H658-E661 IonicContact ND1-OE2 3.57Å; H658-E661 PolarHBondContact O-N 3.24Å; H658-M662 WeakPolarHBondContact O-CB 3.37Å; H658-M662 WeakPolarHBondContact O-CG 3.29Å; H658-M662 PolarHBondContact O-N 2.91Å
659	D	92.2	Very high	95.3	Very high	130 Å²	130	68.2 Å²	68.2	70%	0.695	38%	0.379	S	S	*	.	H	α-helix	trans	-60.6	-39.3	176	-63	-26.1	0	0	0	112.6	S657 L663	S657-D659 PolarHBondContact O-N 2.94Å; D659-L663 VanDerWaalsContact O-CB 3.25Å; D659-L663 WeakPolarHBondContact O-CB 3.41Å; D659-L663 PolarHBondContact O-N 3.3Å
660	L	94.9	Very high	95.5	Very high	89 Å²	89	66 Å²	66	47%	0.466	38%	0.378	S	S	.	.	H	α-helix	trans	-70.4	-39.4	177	-178.5	62.1	0	0	0	111.4	A656 S657 H658 L663 T664	A656-L660 HydrophobicContact CB-CD2 4.24Å; S657-L660 WeakPolarHBondContact O-CB 3.36Å; S657-L660 PolarHBondContact O-N 3.47Å; S657-L660 WeakPolarHBondContact OG-CB 3.35Å; S657-L660 PolarHBondContact OG-N 3.43Å; H658-L660 VanDerWaalsContact C-N 3.32Å; H658-L660 PolarHBondContact O-N 2.99Å; L660-L663 PolarHBondContact O-N 2.75Å; L660-T664 WeakPolarHBondContact O-CB 3.45Å; L660-T664 PolarHBondContact O-N 3.4Å; L660-T664 PolarHBondContact O-OG1 3.4Å
661	E	93.6	Very high	95.7	Very high	104 Å²	104	70.3 Å²	70.3	49%	0.486	40%	0.404	S	S	.	.	H	α-helix	trans	-61.9	-46.8	175	-64.8	177.9	165.4	0	0	110.9	A656 S657 H658 T664 L665	A656-E661 HydrophobicContact CB-CG 4.39Å; S657-E661 PolarHBondContact O-N 2.87Å; S657-E661 VanDerWaalsContact O-N 3.14Å; H658-E661 IonicContact ND1-OE2 3.57Å; H658-E661 PolarHBondContact O-N 3.24Å; E661-T664 PolarHBondContact O-N 3.06Å; E661-L665 PolarHBondContact O-N 3.21Å
662	M	95.9	Very high	95.8	Very high	99 Å²	99	72.5 Å²	72.5	49%	0.488	42%	0.419	S	S	.	.	H	α-helix	trans	-66.4	-39.1	178	-69.6	-56.5	-62.8	0	0	112.3	H658 L665 G666	H658-M662 WeakPolarHBondContact O-CB 3.37Å; H658-M662 WeakPolarHBondContact O-CG 3.29Å; H658-M662 PolarHBondContact O-N 2.91Å; M662-L665 PolarHBondContact O-N 2.94Å; M662-G666 PolarHBondContact O-N 3.48Å
663	L	96.8	Very high	95.8	Very high	111 Å²	111	77.3 Å²	77.3	58%	0.581	44%	0.444	S	S	*	.	H	α-helix	trans	-61.3	-45.3	172.3	-179.5	67.2	0	0	0	111.2	D659 L660 L665 G666 V667	D659-L663 VanDerWaalsContact O-CB 3.25Å; D659-L663 WeakPolarHBondContact O-CB 3.41Å; D659-L663 PolarHBondContact O-N 3.3Å; L660-L663 PolarHBondContact O-N 2.75Å; L663-L665 PolarHBondContact O-N 3Å; L663-G666 PolarHBondContact O-N 3.25Å; L663-V667 HydrophobicContact CD1-CG2 4.39Å; L663-V667 WeakPolarHBondContact O-CG2 3.27Å; L663-V667 PolarHBondContact O-N 3.26Å
664	T	96.3	Very high	95.8	Very high	89 Å²	89	79.3 Å²	79.3	55%	0.546	46%	0.462	S	S	.	.	H	α-helix	trans	-61.9	-44.5	179.3	-56.1	0	0	0	0	111.2	L660 E661 V667 G668	L660-T664 WeakPolarHBondContact O-CB 3.45Å; L660-T664 PolarHBondContact O-N 3.4Å; L660-T664 PolarHBondContact O-OG1 3.4Å; E661-T664 PolarHBondContact O-N 3.06Å; T664-V667 PolarHBondContact O-N 2.84Å; T664-G668 PolarHBondContact O-N 3.28Å
665	L	96.8	Very high	95.8	Very high	97 Å²	97	77.7 Å²	77.7	51%	0.508	46%	0.457	S	S	.	.	H	α-helix	trans	-61.3	-45.7	174.5	-179.6	63.9	0	0	0	111.6	E661 M662 L663 G668 I669	E661-L665 PolarHBondContact O-N 3.21Å; M662-L665 PolarHBondContact O-N 2.94Å; L663-L665 PolarHBondContact O-N 3Å; L665-G668 PolarHBondContact O-N 2.92Å; L665-I669 HydrophobicContact CD1-CD1 4.2Å; L665-I669 HydrophobicContact CD1-CG1 4.49Å; L665-I669 HydrophobicContact CG-CD1 4.07Å; L665-I669 WeakPolarHBondContact O-CG1 3.3Å; L665-I669 PolarHBondContact O-N 2.71Å
666	G	97.4	Very high	95.9	Very high	43 Å²	43	81.2 Å²	81.2	44%	0.443	47%	0.474	S	S	.	.	H	α-helix	trans	-61	-44.5	178.5	0	0	0	0	0	112.9	M662 L663 I669 G670	M662-G666 PolarHBondContact O-N 3.48Å; L663-G666 PolarHBondContact O-N 3.25Å; G666-I669 PolarHBondContact O-N 2.96Å; G666-G670 PolarHBondContact O-N 3.41Å
667	V	97.7	Very high	96	Very high	86 Å²	86	84.2 Å²	84.2	52%	0.521	48%	0.484	S	S	.	.	H	α-helix	trans	-62.1	-44.1	174.1	171.6	0	0	0	0	110.5	L663 T664 I669 G670 V671	L663-V667 HydrophobicContact CD1-CG2 4.39Å; L663-V667 WeakPolarHBondContact O-CG2 3.27Å; L663-V667 PolarHBondContact O-N 3.26Å; T664-V667 PolarHBondContact O-N 2.84Å; V667-I669 PolarHBondContact O-N 3.49Å; V667-G670 PolarHBondContact O-N 2.85Å; V667-V671 HydrophobicContact CG1-CG2 4.25Å; V667-V671 WeakPolarHBondContact O-CB 3.46Å; V667-V671 WeakPolarHBondContact O-CG2 3.38Å; V667-V671 PolarHBondContact O-N 2.9Å
668	G	97.3	Very high	96.1	Very high	42 Å²	42	88.2 Å²	88.2	43%	0.433	50%	0.503	S	S	.	.	H	α-helix	trans	-57.9	-47.5	177	0	0	0	0	0	112.9	T664 L665 L672	T664-G668 PolarHBondContact O-N 3.28Å; L665-G668 PolarHBondContact O-N 2.92Å; G668-L672 WeakPolarHBondContact O-CB 3.39Å; G668-L672 PolarHBondContact O-N 3.23Å
669	I	97.6	Very high	96.3	Very high	86 Å²	86	87 Å²	87	44%	0.441	50%	0.504	S	S	.	.	H	α-helix	trans	-63.7	-43.7	176.1	-66.7	168.9	0	0	0	110.8	L665 G666 V667 V671 L672 L673	L665-I669 HydrophobicContact CD1-CD1 4.2Å; L665-I669 HydrophobicContact CD1-CG1 4.49Å; L665-I669 HydrophobicContact CG-CD1 4.07Å; L665-I669 WeakPolarHBondContact O-CG1 3.3Å; L665-I669 PolarHBondContact O-N 2.71Å; G666-I669 PolarHBondContact O-N 2.96Å; V667-I669 PolarHBondContact O-N 3.49Å; I669-V671 PolarHBondContact O-N 3.35Å; I669-L672 PolarHBondContact O-N 3.46Å; I669-L673 HydrophobicContact CG2-CD1 3.91Å; I669-L673 HydrophobicContact CG2-CG 4.3Å; I669-L673 WeakPolarHBondContact O-CG 3.3Å; I669-L673 PolarHBondContact O-N 2.88Å
670	G	97.5	Very high	96.4	Very high	32 Å²	32	88.8 Å²	88.8	33%	0.33	50%	0.502	S	S	.	.	H	α-helix	trans	-61.3	-44.8	179	0	0	0	0	0	112.9	G666 V667 S674	G666-G670 PolarHBondContact O-N 3.41Å; V667-G670 PolarHBondContact O-N 2.85Å; G670-S674 VanDerWaalsContact O-CB 3.29Å; G670-S674 WeakPolarHBondContact O-CB 3.35Å; G670-S674 PolarHBondContact O-N 2.94Å; G670-S674 PolarHBondContact O-OG 3.37Å
671	V	97.7	Very high	96.4	Very high	94 Å²	94	88.3 Å²	88.3	57%	0.57	50%	0.499	S	S	*	.	H	α-helix	trans	-63.8	-44.3	175.5	171.5	0	0	0	0	110.7	V667 I669 S674 S675	V667-V671 HydrophobicContact CG1-CG2 4.25Å; V667-V671 WeakPolarHBondContact O-CB 3.46Å; V667-V671 WeakPolarHBondContact O-CG2 3.38Å; V667-V671 PolarHBondContact O-N 2.9Å; I669-V671 PolarHBondContact O-N 3.35Å; V671-S674 PolarHBondContact O-N 2.81Å; V671-S675 WeakPolarHBondContact O-CB 3.38Å; V671-S675 PolarHBondContact O-N 3.45Å; V671-S675 PolarHBondContact O-OG 2.97Å
672	L	96.9	Very high	96.3	Very high	98 Å²	98	87.9 Å²	87.9	51%	0.513	50%	0.499	S	S	.	.	H	α-helix	trans	-58.9	-53.3	178.2	178.2	64.5	0	0	0	111.4	G668 I669 S674 S675 L676	G668-L672 WeakPolarHBondContact O-CB 3.39Å; G668-L672 PolarHBondContact O-N 3.23Å; I669-L672 PolarHBondContact O-N 3.46Å; L672-S674 VanDerWaalsContact C-N 3.33Å; L672-S674 PolarHBondContact O-N 2.86Å; L672-S675 PolarHBondContact O-N 3.45Å; L672-S675 PolarHBondContact O-OG 2.86Å; L672-L676 HydrophobicContact CD1-CD1 4.15Å; L672-L676 HydrophobicContact CD1-CG 4.34Å; L672-L676 HydrophobicContact CG-CD1 4.13Å; L672-L676 WeakPolarHBondContact O-CG 3.19Å; L672-L676 PolarHBondContact O-N 3.42Å
673	L	97.3	Very high	96.2	Very high	107 Å²	107	87.4 Å²	87.4	56%	0.56	51%	0.505	S	S	*	.	H	α-helix	trans	-62	-41.4	-179.6	-68.5	176.9	0	0	0	111.9	I669 L676 L677	I669-L673 HydrophobicContact CG2-CD1 3.91Å; I669-L673 HydrophobicContact CG2-CG 4.3Å; I669-L673 WeakPolarHBondContact O-CG 3.3Å; I669-L673 PolarHBondContact O-N 2.88Å; L673-L676 PolarHBondContact O-N 3.4Å; L673-L677 WeakPolarHBondContact O-CB 3.43Å; L673-L677 PolarHBondContact O-N 3.32Å
674	S	96.7	Very high	95.9	Very high	67 Å²	67	85.1 Å²	85.1	47%	0.469	50%	0.499	S	S	.	.	H	α-helix	trans	-64.3	-42.8	177	-57.7	0	0	0	0	111.7	G670 V671 L672 L677 L678	G670-S674 VanDerWaalsContact O-CB 3.29Å; G670-S674 WeakPolarHBondContact O-CB 3.35Å; G670-S674 PolarHBondContact O-N 2.94Å; G670-S674 PolarHBondContact O-OG 3.37Å; V671-S674 PolarHBondContact O-N 2.81Å; L672-S674 VanDerWaalsContact C-N 3.33Å; L672-S674 PolarHBondContact O-N 2.86Å; S674-L677 PolarHBondContact O-N 3.25Å; S674-L678 WeakPolarHBondContact O-CB 3.3Å; S674-L678 VanDerWaalsContact O-CG 3.3Å; S674-L678 WeakPolarHBondContact O-CG 3.39Å; S674-L678 PolarHBondContact O-N 3.33Å
675	S	96.9	Very high	95.6	Very high	48 Å²	48	86 Å²	86	34%	0.336	50%	0.495	S	S	.	.	H	α-helix	trans	-64.2	-43.5	176.5	69.8	0	0	0	0	112	V671 L672 L677 L678 T679	V671-S675 WeakPolarHBondContact O-CB 3.38Å; V671-S675 PolarHBondContact O-N 3.45Å; V671-S675 PolarHBondContact O-OG 2.97Å; L672-S675 PolarHBondContact O-N 3.45Å; L672-S675 PolarHBondContact O-OG 2.86Å; S675-L677 VanDerWaalsContact C-N 3.34Å; S675-L677 PolarHBondContact O-N 2.86Å; S675-L678 PolarHBondContact O-N 3.47Å; S675-T679 VanDerWaalsContact O-CB 3.3Å; S675-T679 WeakPolarHBondContact O-CB 3.26Å; S675-T679 PolarHBondContact O-N 2.87Å; S675-T679 PolarHBondContact O-OG1 3.46Å
676	L	96.3	Very high	95.2	Very high	104 Å²	104	82.8 Å²	82.8	55%	0.545	48%	0.482	S	S	.	.	H	α-helix	trans	-63.3	-42.7	178.3	-74.3	172.4	0	0	0	111	L672 L673 Y680	L672-L676 HydrophobicContact CD1-CD1 4.15Å; L672-L676 HydrophobicContact CD1-CG 4.34Å; L672-L676 HydrophobicContact CG-CD1 4.13Å; L672-L676 WeakPolarHBondContact O-CG 3.19Å; L672-L676 PolarHBondContact O-N 3.42Å; L673-L676 PolarHBondContact O-N 3.4Å; L676-Y680 WeakPolarHBondContact O-CB 3Å; L676-Y680 PolarHBondContact O-N 2.91Å
677	L	96.1	Very high	94.6	Very high	103 Å²	103	88 Å²	88	54%	0.539	50%	0.5	S	S	.	.	H	α-helix	trans	-64.2	-47.7	176.5	-178.1	65	0	0	0	111.6	L673 S674 S675 Y680 I681	L673-L677 WeakPolarHBondContact O-CB 3.43Å; L673-L677 PolarHBondContact O-N 3.32Å; S674-L677 PolarHBondContact O-N 3.25Å; S675-L677 VanDerWaalsContact C-N 3.34Å; S675-L677 PolarHBondContact O-N 2.86Å; L677-Y680 PolarHBondContact O-N 3.29Å; L677-I681 HydrophobicContact CD1-CD1 4.06Å; L677-I681 HydrophobicContact CD1-CG1 4.4Å; L677-I681 HydrophobicContact CG-CD1 3.9Å; L677-I681 WeakPolarHBondContact O-CB 3.26Å; L677-I681 VanDerWaalsContact O-CG1 3.26Å; L677-I681 WeakPolarHBondContact O-CG1 3.19Å; L677-I681 PolarHBondContact O-N 3.42Å
678	L	95.4	Very high	93.9	Very high	106 Å²	106	89.8 Å²	89.8	56%	0.555	51%	0.505	S	S	*	.	H	α-helix	trans	-62.9	-46.2	178.6	-76.5	168.2	0	0	0	111.4	S674 S675 Y680 I681 M682	S674-L678 WeakPolarHBondContact O-CB 3.3Å; S674-L678 VanDerWaalsContact O-CG 3.3Å; S674-L678 WeakPolarHBondContact O-CG 3.39Å; S674-L678 PolarHBondContact O-N 3.33Å; S675-L678 PolarHBondContact O-N 3.47Å; L678-Y680 VanDerWaalsContact C-N 3.33Å; L678-Y680 PolarHBondContact O-N 2.83Å; L678-I681 PolarHBondContact O-N 3.23Å; L678-M682 WeakPolarHBondContact O-CB 3.29Å; L678-M682 VanDerWaalsContact O-CG 3.29Å; L678-M682 WeakPolarHBondContact O-CG 3.49Å; L678-M682 PolarHBondContact O-N 2.84Å
679	T	95.5	Very high	93.2	Very high	92 Å²	92	92.5 Å²	92.5	56%	0.564	51%	0.509	S	S	*	.	H	α-helix	trans	-61.8	-41.5	175.9	-59.8	0	0	0	0	111.3	S675 M682 S683	S675-T679 VanDerWaalsContact O-CB 3.3Å; S675-T679 WeakPolarHBondContact O-CB 3.26Å; S675-T679 PolarHBondContact O-N 2.87Å; S675-T679 PolarHBondContact O-OG1 3.46Å; T679-M682 PolarHBondContact O-N 2.82Å; T679-S683 WeakPolarHBondContact O-CB 3.36Å; T679-S683 PolarHBondContact O-N 2.82Å
680	Y	94.8	Very high	92.6	Very high	167 Å²	167	95.4 Å²	95.4	66%	0.655	52%	0.519	S	S	*	.	H	α-helix	trans	-61.7	-47	174.9	177.3	-98.2	0	0	0	111.8	L676 L677 L678 S683 S684	L676-Y680 WeakPolarHBondContact O-CB 3Å; L676-Y680 PolarHBondContact O-N 2.91Å; L677-Y680 PolarHBondContact O-N 3.29Å; L678-Y680 VanDerWaalsContact C-N 3.33Å; L678-Y680 PolarHBondContact O-N 2.83Å; Y680-S683 PolarHBondContact O-N 3.44Å; Y680-S684 VanDerWaalsContact O-CB 3.28Å; Y680-S684 WeakPolarHBondContact O-CB 3.28Å; Y680-S684 PolarHBondContact O-N 3.47Å; Y680-S684 PolarHBondContact O-OG 3.18Å
681	I	93.9	Very high	91.5	Very high	79 Å²	79	97.9 Å²	97.9	41%	0.405	53%	0.531	S	S	.	.	H	α-helix	trans	-61.8	-49.4	177.5	-69.2	167.3	0	0	0	110.2	L677 L678 S683 S684 K685	L677-I681 HydrophobicContact CD1-CD1 4.06Å; L677-I681 HydrophobicContact CD1-CG1 4.4Å; L677-I681 HydrophobicContact CG-CD1 3.9Å; L677-I681 WeakPolarHBondContact O-CB 3.26Å; L677-I681 VanDerWaalsContact O-CG1 3.26Å; L677-I681 WeakPolarHBondContact O-CG1 3.19Å; L677-I681 PolarHBondContact O-N 3.42Å; L678-I681 PolarHBondContact O-N 3.23Å; I681-S683 VanDerWaalsContact C-N 3.32Å; I681-S683 PolarHBondContact O-N 3.22Å; I681-S684 PolarHBondContact O-N 3.27Å; I681-S684 PolarHBondContact O-OG 3.4Å; I681-K685 WeakPolarHBondContact O-CB 3.3Å; I681-K685 WeakPolarHBondContact O-CG 3.47Å; I681-K685 PolarHBondContact O-N 2.93Å
682	M	92.3	Very high	89.8	Confident	96 Å²	96	99 Å²	99	47%	0.473	54%	0.543	S	S	.	.	H	α-helix	trans	-60.9	-40.2	178.8	-73.5	-175.9	72.2	0	0	112.2	L678 T679 K685 A686 L689 F690	L678-M682 WeakPolarHBondContact O-CB 3.29Å; L678-M682 VanDerWaalsContact O-CG 3.29Å; L678-M682 WeakPolarHBondContact O-CG 3.49Å; L678-M682 PolarHBondContact O-N 2.84Å; T679-M682 PolarHBondContact O-N 2.82Å; M682-K685 CarbonylContact O-C 3.3Å; M682-A686 VanDerWaalsContact O-CA 3.3Å; M682-A686 WeakPolarHBondContact O-CA 3.28Å; M682-A686 WeakPolarHBondContact O-CB 3.45Å; M682-A686 PolarHBondContact O-N 3.38Å; M682-L689 HydrophobicContact CB-CD1 4.49Å; M682-L689 HydrophobicContact CG-CD1 4.43Å; M682-F690 HydrophobicContact CE-CZ 4.19Å
683	S	92.8	Very high	88	Confident	89 Å²	89	97.5 Å²	97.5	62%	0.622	55%	0.552	S	S	*	*	H	α-helix	trans	-67.2	-46.6	175.6	178.9	0	0	0	0	111.6	T679 Y680 I681 K685 A686	T679-S683 WeakPolarHBondContact O-CB 3.36Å; T679-S683 PolarHBondContact O-N 2.82Å; Y680-S683 PolarHBondContact O-N 3.44Å; I681-S683 VanDerWaalsContact C-N 3.32Å; I681-S683 PolarHBondContact O-N 3.22Å; S683-K685 PolarHBondContact O-N 3.07Å; S683-A686 VanDerWaalsContact O-CB 3.28Å; S683-A686 WeakPolarHBondContact O-CB 3.41Å; S683-A686 PolarHBondContact O-N 2.96Å
684	S	91.8	Very high	85.8	Confident	63 Å²	63	104.1 Å²	104.1	44%	0.441	57%	0.569	S	S	.	*	H	α-helix	trans	-65.4	-22.1	179	73.9	0	0	0	0	113.7	Y680 I681	Y680-S684 VanDerWaalsContact O-CB 3.28Å; Y680-S684 WeakPolarHBondContact O-CB 3.28Å; Y680-S684 PolarHBondContact O-N 3.47Å; Y680-S684 PolarHBondContact O-OG 3.18Å; I681-S684 PolarHBondContact O-N 3.27Å; I681-S684 PolarHBondContact O-OG 3.4Å
685	K	89.9	Confident	83.7	Confident	107 Å²	107	109.3 Å²	109.3	47%	0.465	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.9	13	178.5	-59.6	-61.6	179.4	-174.9	0	112.7	I681 M682 S683 D687 I688 L689	I681-K685 WeakPolarHBondContact O-CB 3.3Å; I681-K685 WeakPolarHBondContact O-CG 3.47Å; I681-K685 PolarHBondContact O-N 2.93Å; M682-K685 CarbonylContact O-C 3.3Å; S683-K685 PolarHBondContact O-N 3.07Å; K685-D687 VanDerWaalsContact C-N 3.29Å; K685-D687 PolarHBondContact O-N 2.88Å; K685-I688 HydrophobicContact CD-CD1 4.2Å; K685-I688 PolarHBondContact O-N 3.5Å; K685-L689 HydrophobicContact CB-CD1 3.81Å; K685-L689 HydrophobicContact CB-CG 4.09Å; K685-L689 WeakPolarHBondContact O-CB 3.33Å; K685-L689 WeakPolarHBondContact O-CG 3.49Å; K685-L689 PolarHBondContact O-N 3.26Å
686	A	87.6	Confident	81.4	Confident	30 Å²	30	112.7 Å²	112.7	25%	0.248	61%	0.607	C	S	.	*	H	α-helix	trans	-57.6	-41.1	-174	0	0	0	0	0	112.3	M682 S683 I688 L689 F690	M682-A686 VanDerWaalsContact O-CA 3.3Å; M682-A686 WeakPolarHBondContact O-CA 3.28Å; M682-A686 WeakPolarHBondContact O-CB 3.45Å; M682-A686 PolarHBondContact O-N 3.38Å; S683-A686 VanDerWaalsContact O-CB 3.28Å; S683-A686 WeakPolarHBondContact O-CB 3.41Å; S683-A686 PolarHBondContact O-N 2.96Å; A686-I688 PolarHBondContact O-N 3.03Å; A686-L689 PolarHBondContact O-N 2.86Å; A686-F690 HydrophobicContact CB-CD2 4.05Å; A686-F690 HydrophobicContact CB-CE2 4.4Å; A686-F690 WeakPolarHBondContact O-CB 3.36Å; A686-F690 WeakPolarHBondContact O-CD2 3.4Å; A686-F690 PolarHBondContact O-N 3.32Å
687	D	84.1	Confident	79	Confident	151 Å²	151	114.4 Å²	114.4	81%	0.807	62%	0.622	S	S	*	*	H	α-helix	trans	-63.5	-27	179.7	-61.8	-30.6	0	0	0	113.4	K685 S691	K685-D687 VanDerWaalsContact C-N 3.29Å; K685-D687 PolarHBondContact O-N 2.88Å; D687-S691 WeakPolarHBondContact O-CB 3.46Å
688	I	84.6	Confident	76.5	Confident	124 Å²	124	115.1 Å²	115.1	64%	0.636	64%	0.636	S	S	*	*	H	α-helix	trans	-88.7	-43.3	177.4	-58.2	174	0	0	0	110.2	K685 A686 F690	K685-I688 HydrophobicContact CD-CD1 4.2Å; K685-I688 PolarHBondContact O-N 3.5Å; A686-I688 PolarHBondContact O-N 3.03Å; I688-F690 VanDerWaalsContact C-N 3.32Å; I688-F690 PolarHBondContact O-N 3.23Å
689	L	82.1	Confident	74.1	Confident	100 Å²	100	114.3 Å²	114.3	52%	0.524	64%	0.644	S	S	.	*	H	α-helix	trans	-71.4	-28	-176.6	-69.7	170.5	0	0	0	112.6	M682 K685 A686	M682-L689 HydrophobicContact CB-CD1 4.49Å; M682-L689 HydrophobicContact CG-CD1 4.43Å; K685-L689 HydrophobicContact CB-CD1 3.81Å; K685-L689 HydrophobicContact CB-CG 4.09Å; K685-L689 WeakPolarHBondContact O-CB 3.33Å; K685-L689 WeakPolarHBondContact O-CG 3.49Å; K685-L689 PolarHBondContact O-N 3.26Å; A686-L689 PolarHBondContact O-N 2.86Å
690	F	84.6	Confident	71.4	Confident	146 Å²	146	116 Å²	116	64%	0.64	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120	24.2	-176.6	-54.5	-68.7	0	0	0	113	M682 A686 I688 S692	M682-F690 HydrophobicContact CE-CZ 4.19Å; A686-F690 HydrophobicContact CB-CD2 4.05Å; A686-F690 HydrophobicContact CB-CE2 4.4Å; A686-F690 WeakPolarHBondContact O-CB 3.36Å; A686-F690 WeakPolarHBondContact O-CD2 3.4Å; A686-F690 PolarHBondContact O-N 3.32Å; I688-F690 VanDerWaalsContact C-N 3.32Å; I688-F690 PolarHBondContact O-N 3.23Å; F690-S692 PolarHBondContact O-N 3.19Å
691	S	73.6	Confident	68.6	Low	85 Å²	85	122 Å²	122	59%	0.594	68%	0.678	S	S	*	*			trans	-62.7	111.7	175.1	65.7	0	0	0	0	110.2	D687 G693	D687-S691 WeakPolarHBondContact O-CB 3.46Å; S691-G693 PolarHBondContact O-N 3.05Å
692	S	63	Low	67.4	Low	116 Å²	116	124.2 Å²	124.2	81%	0.811	69%	0.692	S	S	*	*			trans	-66.4	116.2	171.2	-160.6	0	0	0	0	108.1	F690 R694	F690-S692 PolarHBondContact O-N 3.19Å; S692-R694 PolarHBondContact O-N 3.04Å
693	G	58.4	Low	66.1	Low	68 Å²	68	125.6 Å²	125.6	70%	0.701	70%	0.703	S	S	*	*			trans	-55.1	110.9	172.9	0	0	0	0	0	108.7	S691 E695	S691-G693 PolarHBondContact O-N 3.05Å; G693-E695 PolarHBondContact O-N 2.97Å
694	R	51.3	Low	64.6	Low	245 Å²	245	127.7 Å²	127.7	93%	0.925	71%	0.708	S	S	*	*			trans	-57.6	112.8	168.5	-91.1	178.8	170.2	153.6	-2.6	107.3	S692	S692-R694 PolarHBondContact O-N 3.04Å
695	E	53.4	Low	63	Low	176 Å²	176	131.5 Å²	131.5	82%	0.822	72%	0.723	S	S	*	*			trans	-53.1	133.7	159.1	-80.5	-175.2	152.4	0	0	108.3	G693 T697	G693-E695 PolarHBondContact O-N 2.97Å; E695-T697 PolarHBondContact O-N 3.22Å
696	P	47.6	Very low	61.3	Low	119 Å²	119	133 Å²	133	77%	0.773	74%	0.739	S	S	*	*			trans	-67.8	120.1	175.3	26.7	-29.4	0	0	0	108.2	S698	P696-S698 PolarHBondContact O-N 3.24Å
697	T	46.5	Very low	59.6	Low	141 Å²	141	139.9 Å²	139.9	87%	0.865	77%	0.772	S	S	*	*			trans	-55.7	107.3	165.3	44.8	0	0	0	0	108.4	E695 A699	E695-T697 PolarHBondContact O-N 3.22Å; T697-A699 PolarHBondContact O-N 2.95Å
698	S	44.3	Very low	57.8	Low	118 Å²	118	139.1 Å²	139.1	83%	0.825	77%	0.77	S	S	*	*			trans	-55.8	117.6	168.2	43.5	0	0	0	0	109.8	P696	P696-S698 PolarHBondContact O-N 3.24Å
699	A	43.6	Very low	55.7	Low	88 Å²	88	140.2 Å²	140.2	73%	0.727	78%	0.78	S	S	*	*			trans	-83.7	133.2	163.7	0	0	0	0	0	109.7	T697	T697-A699 PolarHBondContact O-N 2.95Å
700	T	39.1	Very low	53.5	Low	127 Å²	127	143.6 Å²	143.6	78%	0.779	80%	0.801	S	S	*	*			trans	146.3	128.3	153.3	37.7	0	0	0	0	108.5
701	Y	37.1	Very low	50.7	Low	294 Å²	294	143.4 Å²	143.4	100%	1.153	82%	0.816	S	S	*	*			cis	-135.6	0	13.6	-104.5	-89.1	0	0	0	110.9

Retrieved 701 of 701 residues in 797.6 ms (Link to these results)

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