A0A087X492_POEFO Loading...

Acylamino-acid-releasing enzyme

AlphaFold DB , UniProt , Accession A0A087X492, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 754 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	34.1	Very low	32.4	Very low	241 Å²	241	148.1 Å²	148.1	100%	1.187	75%	0.745	S	S	*	*				0	90.9	0	-80	166.7	168.7	0	0	107.9
2	N	33.3	Very low	33.1	Very low	158 Å²	158	145.5 Å²	145.5	85%	0.845	73%	0.726	S	S	*	*			trans	-147.5	66.3	-169.9	-108.1	-9.8	0	0	0	109.4
3	R	25.5	Very low	33	Very low	236 Å²	236	139.6 Å²	139.6	89%	0.891	71%	0.707	S	S	*	*	S	Bend	trans	-137.4	-4.7	178.3	-82.3	-168.1	172.9	-176.5	-2.6	116
4	T	33.1	Very low	32.8	Very low	128 Å²	128	138.6 Å²	138.6	79%	0.785	70%	0.703	S	S	*	*	S	Bend	trans	-100.1	-16.4	-177.7	-25.2	0	0	0	0	113.7	F6	T4-F6 VanDerWaalsContact C-N 3.29Å; T4-F6 PolarHBondContact O-N 3.36Å
5	L	32.1	Very low	33.3	Very low	151 Å²	151	141.8 Å²	141.8	79%	0.791	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-7	178	-125.9	85.7	0	0	0	114.4
6	F	30.3	Very low	33.5	Very low	150 Å²	150	147.9 Å²	147.9	66%	0.658	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-18.2	-177	-105.9	-92.1	0	0	0	113.9	T4 H10	T4-F6 VanDerWaalsContact C-N 3.29Å; T4-F6 PolarHBondContact O-N 3.36Å; F6-H10 AromaticContact CD1-CD2 3.94Å; F6-H10 VanDerWaalsContact O-CB 3.26Å; F6-H10 WeakPolarHBondContact O-CB 3.46Å; F6-H10 PolarHBondContact O-N 3.23Å
7	A	30.5	Very low	33.4	Very low	61 Å²	61	153.6 Å²	153.6	50%	0.504	73%	0.728	S	S	.	*	H	α-helix	trans	-77.7	-33.4	-171.1	0	0	0	0	0	113.9	L11	A7-L11 PolarHBondContact O-N 3.4Å
8	V	37.5	Very low	33.4	Very low	110 Å²	110	150.8 Å²	150.8	67%	0.667	73%	0.726	S	S	*	*	H	α-helix	trans	-83.8	-34.1	178.9	-175.8	0	0	0	0	111.7	H10	V8-H10 VanDerWaalsContact C-N 3.28Å; V8-H10 PolarHBondContact O-N 3.14Å
9	K	34.1	Very low	33.6	Very low	161 Å²	161	149.3 Å²	149.3	70%	0.7	73%	0.733	S	S	*	*	H	α-helix	trans	-65.2	-31.5	167.4	-81	-174.6	175.1	-178.4	0	111.9	S13	K9-S13 WeakPolarHBondContact O-CA 3.49Å; K9-S13 WeakPolarHBondContact O-CB 3.32Å; K9-S13 PolarHBondContact O-N 3.47Å
10	H	29.9	Very low	33.6	Very low	83 Å²	83	145.7 Å²	145.7	38%	0.384	72%	0.723	S	S	.	*	H	α-helix	trans	-76	-27.2	-179.5	-106.1	-44.8	0	0	0	115.7	F6 V8 F12 S13 L14	F6-H10 AromaticContact CD1-CD2 3.94Å; F6-H10 VanDerWaalsContact O-CB 3.26Å; F6-H10 WeakPolarHBondContact O-CB 3.46Å; F6-H10 PolarHBondContact O-N 3.23Å; V8-H10 VanDerWaalsContact C-N 3.28Å; V8-H10 PolarHBondContact O-N 3.14Å; H10-F12 PolarHBondContact O-N 3.26Å; H10-S13 PolarHBondContact O-N 3.39Å; H10-L14 HydrophobicContact CB-CD1 4.29Å; H10-L14 WeakPolarHBondContact ND1-CD1 3.33Å; H10-L14 WeakPolarHBondContact ND1-CG 3.21Å; H10-L14 WeakPolarHBondContact O-CB 3.41Å; H10-L14 PolarHBondContact O-N 3.44Å
11	L	35.8	Very low	34	Very low	150 Å²	150	145.3 Å²	145.3	79%	0.785	72%	0.724	S	S	*	*	H	α-helix	trans	-67.8	-26.9	174.6	-98.5	141.5	0	0	0	112.5	A7	A7-L11 PolarHBondContact O-N 3.4Å
12	F	41.6	Very low	34.7	Very low	117 Å²	117	142 Å²	142	51%	0.513	70%	0.698	S	S	.	*	H	α-helix	trans	-102.2	-14	174.7	-67.3	-80.6	0	0	0	114.3	H10 L41	H10-F12 PolarHBondContact O-N 3.26Å; F12-L41 HydrophobicContact CZ-CD1 4.46Å
13	S	31.8	Very low	35.6	Very low	69 Å²	69	135.7 Å²	135.7	48%	0.483	67%	0.665	S	S	.	*	H	α-helix	trans	-97.8	-9.4	-178.6	176.2	0	0	0	0	115	K9 H10	K9-S13 WeakPolarHBondContact O-CA 3.49Å; K9-S13 WeakPolarHBondContact O-CB 3.32Å; K9-S13 PolarHBondContact O-N 3.47Å; H10-S13 PolarHBondContact O-N 3.39Å
14	L	29.7	Very low	38.1	Very low	125 Å²	125	132.6 Å²	132.6	65%	0.654	66%	0.661	S	S	*	*	S	Bend	trans	-100.3	51	-179.4	-94.8	159	0	0	0	113.4	H10	H10-L14 HydrophobicContact CB-CD1 4.29Å; H10-L14 WeakPolarHBondContact ND1-CD1 3.33Å; H10-L14 WeakPolarHBondContact ND1-CG 3.21Å; H10-L14 WeakPolarHBondContact O-CB 3.41Å; H10-L14 PolarHBondContact O-N 3.44Å
15	R	40.7	Very low	40.8	Very low	187 Å²	187	127.4 Å²	127.4	71%	0.706	63%	0.629	S	S	*	*			trans	-142.5	50.7	156.3	-80.4	-168.2	171	-162.9	-13	111.7	R17	R15-R17 VanDerWaalsContact C-N 3.3Å
16	R	35.4	Very low	43.8	Very low	239 Å²	239	120.9 Å²	120.9	90%	0.902	60%	0.596	S	S	*	*			trans	-89.3	18.2	165.6	-93.1	-173	176.9	-174.5	-0.4	114.2
17	R	33.2	Very low	47	Very low	245 Å²	245	116.4 Å²	116.4	93%	0.925	58%	0.581	S	S	*	*	S	Bend	trans	-134.2	70.7	171.9	-75.4	-171.3	-177.5	-173.4	1	110.9	R15	R15-R17 VanDerWaalsContact C-N 3.3Å
18	C	32.4	Very low	50.1	Low	103 Å²	103	116.8 Å²	116.8	70%	0.696	57%	0.574	S	S	*	*			trans	-162.2	55.1	148.7	-129.2	0	0	0	0	108.5	S20	C18-S20 PolarHBondContact O-N 2.66Å
19	S	36.5	Very low	53	Low	123 Å²	123	114.7 Å²	114.7	86%	0.86	56%	0.563	S	S	*	*			trans	-80.1	60.1	169.5	59	0	0	0	0	109.7
20	S	35.1	Very low	56	Low	76 Å²	76	114.6 Å²	114.6	53%	0.531	57%	0.565	S	S	.	*	S	Bend	trans	-111.3	97.9	168.4	61	0	0	0	0	108.9	C18 R22	C18-S20 PolarHBondContact O-N 2.66Å; S20-R22 PolarHBondContact O-N 2.9Å
21	L	41.8	Very low	59.2	Low	139 Å²	139	115.3 Å²	115.3	73%	0.728	57%	0.569	S	S	*	*			trans	49	56.3	144	-65.2	152.3	0	0	0	116.6	C23	L21-C23 PolarHBondContact O-N 3.34Å
22	R	47.6	Very low	62.2	Low	172 Å²	172	108.2 Å²	108.2	65%	0.649	53%	0.531	S	S	*	.			trans	-83.9	81.3	172.7	-72.5	-172.3	-176.8	-155.1	-6.8	111.4	S20	S20-R22 PolarHBondContact O-N 2.9Å
23	C	52.8	Low	64.8	Low	24 Å²	24	104.1 Å²	104.1	16%	0.162	52%	0.519	C	S	.	.			trans	-113.5	14	169.8	-148.9	0	0	0	0	112.1	L21 K518	L21-C23 PolarHBondContact O-N 3.34Å; C23-K518 HydrophobicContact CB-CB 4.28Å; C23-K518 HydrophobicContact CB-CD 3.47Å; C23-K518 VanDerWaalsContact CB-CD 3.47Å; C23-K518 HydrophobicContact CB-CG 3.69Å; C23-K518 VanDerWaalsContact SG-CB 3.51Å; C23-K518 VanDerWaalsContact SG-CG 3.55Å; C23-K518 PolarHBondContact SG-N 2.87Å
24	Q	77.3	Confident	68	Low	171 Å²	171	106 Å²	106	80%	0.799	52%	0.519	S	S	*	.	S	Bend	trans	-117.3	143.1	176.7	-81	179.6	-24.5	0	0	108.8	T26	Q24-T26 PolarHBondContact O-N 2.84Å
25	V	91.4	Very high	71.2	Confident	19 Å²	19	100.8 Å²	100.8	12%	0.115	49%	0.491	C	S	.	.			trans	-60.5	136	174.2	176.6	0	0	0	0	109.5	T27 P524 M551 F553 I749 L754	V25-T27 HydrophobicContact CG1-CG2 4.42Å; V25-T27 PolarHBondContact O-N 2.97Å; V25-P524 HydrophobicContact CG2-CG 3.42Å; V25-P524 VanDerWaalsContact CG2-CG 3.42Å; V25-M551 CarbonylContact C-O 3.51Å; V25-M551 WeakPolarHBondContact CA-O 3.21Å; V25-F553 HydrophobicContact CG1-CD2 4.13Å; V25-F553 HydrophobicContact CG1-CE1 4.18Å; V25-F553 HydrophobicContact CG1-CE2 3.4Å; V25-F553 VanDerWaalsContact CG1-CE2 3.4Å; V25-F553 HydrophobicContact CG1-CZ 3.44Å; V25-F553 VanDerWaalsContact CG1-CZ 3.44Å; V25-F553 HydrophobicContact CG2-CD1 4.49Å; V25-F553 HydrophobicContact CG2-CE1 4.28Å; V25-F553 HydrophobicContact CG2-CZ 4.35Å; V25-I749 HydrophobicContact CG1-CG1 4.5Å; V25-L754 HydrophobicContact CB-CD1 4.13Å; V25-L754 HydrophobicContact CG1-CD1 4.16Å; V25-L754 HydrophobicContact CG2-CD1 3.96Å
26	T	95	Very high	73.9	Confident	15 Å²	15	92.2 Å²	92.2	9%	0.092	46%	0.459	C	S	.	.			trans	-70.6	109.9	173	-54.6	0	0	0	0	108.4	Q24 E31 I32 M551	Q24-T26 PolarHBondContact O-N 2.84Å; T26-E31 HydrophobicContact CG2-CB 3.65Å; T26-I32 HydrophobicContact CG2-CG1 4.08Å; T26-M551 PolarHBondContact N-O 3Å; T26-M551 PolarHBondContact OG1-O 3.18Å
27	T	96.3	Very high	76.8	Confident	55 Å²	55	85.6 Å²	85.6	34%	0.337	44%	0.437	S	S	.	.			trans	-106.4	-14.9	-176.7	56.5	0	0	0	0	114.1	V25 P29 I749 L754	V25-T27 HydrophobicContact CG1-CG2 4.42Å; V25-T27 PolarHBondContact O-N 2.97Å; T27-P29 WeakPolarHBondContact O-CD 3.35Å; T27-I749 HydrophobicContact CG2-CD1 4.48Å; T27-I749 HydrophobicContact CG2-CG1 4.36Å; T27-I749 HydrophobicContact CG2-CG2 3.64Å; T27-L754 HydrophobicContact CG2-CB 4.12Å
28	N	96.6	Very high	79.7	Confident	70 Å²	70	77.2 Å²	77.2	37%	0.374	41%	0.408	S	S	.	.			trans	-71.7	122.3	179.4	-178.7	-61.9	0	0	0	110.8	E30 E31 I32	N28-E30 VanDerWaalsContact C-N 3.31Å; N28-E30 PolarHBondContact O-N 2.84Å; N28-E30 WeakPolarHBondContact OD1-CA 3.5Å; N28-E30 WeakPolarHBondContact OD1-CB 3.49Å; N28-E30 PolarHBondContact OD1-N 3.06Å; N28-E31 HydrophobicContact CB-CB 4.18Å; N28-E31 HydrophobicContact CB-CG 4Å; N28-E31 PolarHBondContact O-N 3.47Å; N28-E31 VanDerWaalsContact O-N 3.15Å; N28-E31 PolarHBondContact OD1-N 3.4Å; N28-I32 VanDerWaalsContact O-CG1 3.29Å; N28-I32 WeakPolarHBondContact O-CG1 3.09Å; N28-I32 PolarHBondContact O-N 2.75Å
29	P	97.6	Very high	82.7	Confident	66 Å²	66	72.4 Å²	72.4	43%	0.429	38%	0.376	S	S	.	.	H	α-helix	trans	-57.5	-36.3	-178.3	-25.1	32.8	0	0	0	114.8	T27 I32 A33 M742 L746	T27-P29 WeakPolarHBondContact O-CD 3.35Å; P29-I32 PolarHBondContact O-N 2.6Å; P29-A33 VanDerWaalsContact O-CB 3.31Å; P29-A33 WeakPolarHBondContact O-CB 3.45Å; P29-A33 PolarHBondContact O-N 3.04Å; P29-M742 WeakPolarHBondContact O-CE 3.31Å; P29-L746 HydrophobicContact CB-CD2 4.32Å; P29-L746 HydrophobicContact CG-CD2 3.91Å
30	E	97.5	Very high	85.4	Confident	159 Å²	159	66.8 Å²	66.8	74%	0.743	34%	0.336	S	S	*	.	H	α-helix	trans	-70.1	-37.4	179.4	-59.1	179.3	176.6	0	0	111.5	N28 K34	N28-E30 VanDerWaalsContact C-N 3.31Å; N28-E30 PolarHBondContact O-N 2.84Å; N28-E30 WeakPolarHBondContact OD1-CA 3.5Å; N28-E30 WeakPolarHBondContact OD1-CB 3.49Å; N28-E30 PolarHBondContact OD1-N 3.06Å; E30-K34 VanDerWaalsContact O-CB 3.29Å; E30-K34 WeakPolarHBondContact O-CB 3.13Å; E30-K34 PolarHBondContact O-N 3.4Å
31	E	97.6	Very high	88.2	Confident	98 Å²	98	67.3 Å²	67.3	46%	0.458	33%	0.332	S	S	.	.	H	α-helix	trans	-69.1	-40.2	175.2	-65	-165.4	157.9	0	0	111.9	T26 N28 K34 L35	T26-E31 HydrophobicContact CG2-CB 3.65Å; N28-E31 HydrophobicContact CB-CB 4.18Å; N28-E31 HydrophobicContact CB-CG 4Å; N28-E31 PolarHBondContact O-N 3.47Å; N28-E31 VanDerWaalsContact O-N 3.15Å; N28-E31 PolarHBondContact OD1-N 3.4Å; E31-K34 PolarHBondContact O-N 3.32Å; E31-L35 WeakPolarHBondContact O-CB 3.28Å; E31-L35 PolarHBondContact O-N 3.4Å
32	I	97.9	Very high	90.6	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.1	-48.4	175.5	-62	162.8	0	0	0	109.9	T26 N28 P29 K34 L35 Y36 M551 F741 M742 A745 L746 I749	T26-I32 HydrophobicContact CG2-CG1 4.08Å; N28-I32 VanDerWaalsContact O-CG1 3.29Å; N28-I32 WeakPolarHBondContact O-CG1 3.09Å; N28-I32 PolarHBondContact O-N 2.75Å; P29-I32 PolarHBondContact O-N 2.6Å; I32-K34 VanDerWaalsContact C-N 3.29Å; I32-K34 PolarHBondContact O-N 2.94Å; I32-L35 PolarHBondContact O-N 2.9Å; I32-L35 VanDerWaalsContact O-N 3.16Å; I32-Y36 PolarHBondContact O-N 3.32Å; I32-M551 HydrophobicContact CD1-CE 3.78Å; I32-M551 HydrophobicContact CG1-CE 3.81Å; I32-M551 HydrophobicContact CG1-SD 4.44Å; I32-M551 HydrophobicContact CG2-CE 4.07Å; I32-M551 HydrophobicContact CG2-SD 3.96Å; I32-F741 HydrophobicContact CG2-CE1 3.94Å; I32-M742 HydrophobicContact CB-CE 4.07Å; I32-M742 HydrophobicContact CB-SD 4.41Å; I32-M742 HydrophobicContact CG2-CE 3.91Å; I32-M742 HydrophobicContact CG2-SD 3.73Å; I32-A745 HydrophobicContact CG2-CB 4.38Å; I32-L746 HydrophobicContact CD1-CD2 4.13Å; I32-I749 HydrophobicContact CD1-CD1 3.64Å
33	A	97.6	Very high	92.7	Very high	32 Å²	32	55.6 Å²	55.6	26%	0.264	28%	0.284	S	S	.	.	H	α-helix	trans	-60	-41.5	177.3	0	0	0	0	0	111.3	P29 L35 Y36 K37 M742	P29-A33 VanDerWaalsContact O-CB 3.31Å; P29-A33 WeakPolarHBondContact O-CB 3.45Å; P29-A33 PolarHBondContact O-N 3.04Å; A33-L35 PolarHBondContact O-N 2.77Å; A33-Y36 PolarHBondContact O-N 3.42Å; A33-K37 WeakPolarHBondContact O-CB 3.33Å; A33-K37 VanDerWaalsContact O-CG 3.28Å; A33-K37 WeakPolarHBondContact O-CG 3.45Å; A33-K37 PolarHBondContact O-N 2.92Å; A33-M742 HydrophobicContact CB-CE 4.04Å; A33-M742 HydrophobicContact CB-SD 4.1Å
34	K	97.6	Very high	94.4	Very high	108 Å²	108	57.1 Å²	57.1	47%	0.47	29%	0.294	S	S	.	.	H	α-helix	trans	-61.8	-42.8	175.3	-178.5	173.4	-177.3	158.4	0	112.4	E30 E31 I32 K37 E38	E30-K34 VanDerWaalsContact O-CB 3.29Å; E30-K34 WeakPolarHBondContact O-CB 3.13Å; E30-K34 PolarHBondContact O-N 3.4Å; E31-K34 PolarHBondContact O-N 3.32Å; I32-K34 VanDerWaalsContact C-N 3.29Å; I32-K34 PolarHBondContact O-N 2.94Å; K34-K37 PolarHBondContact O-N 2.94Å; K34-E38 WeakPolarHBondContact O-CB 3.45Å; K34-E38 PolarHBondContact O-N 2.84Å
35	L	96.6	Very high	95	Very high	15 Å²	15	50 Å²	50	8%	0.079	26%	0.262	C	S	.	.	H	α-helix	trans	-66.1	-42.5	177.7	179	65.5	0	0	0	111.6	E31 I32 A33 E38 L39 V547 R550 M551	E31-L35 WeakPolarHBondContact O-CB 3.28Å; E31-L35 PolarHBondContact O-N 3.4Å; I32-L35 PolarHBondContact O-N 2.9Å; I32-L35 VanDerWaalsContact O-N 3.16Å; A33-L35 PolarHBondContact O-N 2.77Å; L35-E38 WeakPolarHBondContact O-CB 3.4Å; L35-E38 PolarHBondContact O-N 2.7Å; L35-L39 HydrophobicContact CD1-CD1 4.38Å; L35-L39 HydrophobicContact CD1-CG 4.44Å; L35-L39 PolarHBondContact O-N 2.89Å; L35-V547 HydrophobicContact CD2-CG1 3.85Å; L35-V547 HydrophobicContact CG-CG1 3.97Å; L35-R550 HydrophobicContact CD1-CB 4.01Å; L35-R550 HydrophobicContact CD2-CB 3.69Å; L35-R550 HydrophobicContact CG-CB 4.34Å; L35-M551 HydrophobicContact CD2-CG 3.83Å
36	Y	97.3	Very high	94.6	Very high	8 Å²	8	52.8 Å²	52.8	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-59.6	-48.8	173.4	-176.6	-86.9	0	0	0	110.9	I32 A33 E38 L39 S40 L74 L543 V547 F741	I32-Y36 PolarHBondContact O-N 3.32Å; A33-Y36 PolarHBondContact O-N 3.42Å; Y36-E38 VanDerWaalsContact C-N 3.26Å; Y36-E38 PolarHBondContact O-N 2.8Å; Y36-L39 PolarHBondContact O-N 3.11Å; Y36-S40 VanDerWaalsContact O-CB 3.31Å; Y36-S40 WeakPolarHBondContact O-CB 3.4Å; Y36-S40 PolarHBondContact O-N 3.22Å; Y36-S40 PolarHBondContact O-OG 3.41Å; Y36-L74 HydrophobicContact CD1-CD1 4.33Å; Y36-L74 HydrophobicContact CE1-CD1 4.3Å; Y36-L74 HydrophobicContact CE1-CD2 4.09Å; Y36-L543 HydrophobicContact CE2-CD2 3.95Å; Y36-L543 HydrophobicContact CE2-CG 4.26Å; Y36-V547 HydrophobicContact CD2-CG2 4.16Å; Y36-F741 HydrophobicContact CD2-CB 4.1Å; Y36-F741 AromaticContact CD2-CD1 3.27Å; Y36-F741 HydrophobicContact CD2-CD1 3.27Å; Y36-F741 HydrophobicContact CD2-CD2 4.12Å; Y36-F741 AromaticContact CD2-CE1 3.75Å; Y36-F741 HydrophobicContact CD2-CE1 3.75Å; Y36-F741 HydrophobicContact CD2-CE2 4.49Å; Y36-F741 AromaticContact CD2-CG 3.52Å; Y36-F741 HydrophobicContact CD2-CG 3.52Å; Y36-F741 HydrophobicContact CD2-CZ 4.36Å; Y36-F741 HydrophobicContact CE2-CB 3.73Å; Y36-F741 AromaticContact CE2-CD1 3.84Å; Y36-F741 HydrophobicContact CE2-CD1 3.84Å; Y36-F741 HydrophobicContact CE2-CD2 4.14Å; Y36-F741 AromaticContact CE2-CG 3.59Å; Y36-F741 HydrophobicContact CE2-CG 3.59Å; Y36-F741 HydrophobicContact CG-CD1 4.01Å; Y36-F741 HydrophobicContact CG-CE1 4.39Å
37	K	96.6	Very high	94.2	Very high	100 Å²	100	54.5 Å²	54.5	44%	0.435	29%	0.287	S	S	.	.	H	α-helix	trans	-57.2	-37.3	175.5	-74.1	-168.6	178.5	-157.2	0	112.6	A33 K34 S40 L41 L74 E75	A33-K37 WeakPolarHBondContact O-CB 3.33Å; A33-K37 VanDerWaalsContact O-CG 3.28Å; A33-K37 WeakPolarHBondContact O-CG 3.45Å; A33-K37 PolarHBondContact O-N 2.92Å; K34-K37 PolarHBondContact O-N 2.94Å; K37-S40 WeakPolarHBondContact CA-OG 3.22Å; K37-S40 PolarHBondContact O-OG 3.46Å; K37-L41 WeakPolarHBondContact O-CG 3.36Å; K37-L74 HydrophobicContact CB-CD1 4.4Å; K37-L74 HydrophobicContact CG-CD1 3.65Å; K37-E75 IonicContact NZ-OE1 3.13Å; K37-E75 PolarHBondContact NZ-OE1 3.3Å
38	E	95.2	Very high	94	Very high	69 Å²	69	52 Å²	52	32%	0.322	27%	0.271	S	S	.	.	H	α-helix	trans	-66.6	-48.1	178.2	-179.4	-176	139	0	0	111.5	K34 L35 Y36 L41 R550	K34-E38 WeakPolarHBondContact O-CB 3.45Å; K34-E38 PolarHBondContact O-N 2.84Å; L35-E38 WeakPolarHBondContact O-CB 3.4Å; L35-E38 PolarHBondContact O-N 2.7Å; Y36-E38 VanDerWaalsContact C-N 3.26Å; Y36-E38 PolarHBondContact O-N 2.8Å; E38-L41 WeakPolarHBondContact O-CB 3.47Å; E38-R550 IonicContact OE1-NH2 2.7Å; E38-R550 PolarHBondContact OE1-NH2 3.04Å
39	L	94.8	Very high	93.7	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-79.8	-24	-176.9	-62.2	-173.9	0	0	0	113.1	L35 Y36 L41 F42 L481 W541 L543 V547 R550	L35-L39 HydrophobicContact CD1-CD1 4.38Å; L35-L39 HydrophobicContact CD1-CG 4.44Å; L35-L39 PolarHBondContact O-N 2.89Å; Y36-L39 PolarHBondContact O-N 3.11Å; L39-L41 PolarHBondContact O-N 3.18Å; L39-F42 HydrophobicContact CD2-CD2 4.35Å; L39-F42 HydrophobicContact CD2-CE2 3.75Å; L39-F42 VanDerWaalsContact O-CD2 3.27Å; L39-F42 WeakPolarHBondContact O-CD2 3.48Å; L39-F42 PolarHBondContact O-N 2.66Å; L39-L481 HydrophobicContact CD2-CD1 3.9Å; L39-W541 HydrophobicContact CD1-CH2 4.42Å; L39-W541 HydrophobicContact CD2-CH2 4.28Å; L39-L543 VanDerWaalsContact C-CD1 3.41Å; L39-L543 HydrophobicContact CB-CD1 3.49Å; L39-L543 VanDerWaalsContact CB-CD1 3.49Å; L39-V547 HydrophobicContact CB-CG2 4.05Å; L39-V547 HydrophobicContact CD1-CB 4.37Å; L39-V547 HydrophobicContact CD1-CG2 3.69Å; L39-V547 HydrophobicContact CG-CG2 4.33Å; L39-R550 HydrophobicContact CD1-CG 4.28Å
40	S	94.3	Very high	93.4	Very high	4 Å²	4	46.8 Å²	46.8	3%	0.028	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-10.9	175.3	68.2	0	0	0	0	113.2	Y36 K37 F42	Y36-S40 VanDerWaalsContact O-CB 3.31Å; Y36-S40 WeakPolarHBondContact O-CB 3.4Å; Y36-S40 PolarHBondContact O-N 3.22Å; Y36-S40 PolarHBondContact O-OG 3.41Å; K37-S40 WeakPolarHBondContact CA-OG 3.22Å; K37-S40 PolarHBondContact O-OG 3.46Å; S40-F42 PolarHBondContact O-N 3Å
41	L	92.7	Very high	93	Very high	87 Å²	87	40.3 Å²	40.3	46%	0.455	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-17.1	173.2	-65	174.2	0	0	0	112.8	F12 K37 E38 L39 P43 Q71	F12-L41 HydrophobicContact CZ-CD1 4.46Å; K37-L41 WeakPolarHBondContact O-CG 3.36Å; E38-L41 WeakPolarHBondContact O-CB 3.47Å; L39-L41 PolarHBondContact O-N 3.18Å; L41-P43 VanDerWaalsContact O-CD 3.26Å; L41-P43 WeakPolarHBondContact O-CD 2.99Å; L41-Q71 PolarHBondContact O-NE2 3.01Å
42	F	92.6	Very high	92.5	Very high	37 Å²	37	37.8 Å²	37.8	16%	0.162	21%	0.209	C	C	.	.	S	Bend	trans	-72.3	116.5	175.2	-66.1	-63.7	0	0	0	109.9	L39 S40 P453 W541	L39-F42 HydrophobicContact CD2-CD2 4.35Å; L39-F42 HydrophobicContact CD2-CE2 3.75Å; L39-F42 VanDerWaalsContact O-CD2 3.27Å; L39-F42 WeakPolarHBondContact O-CD2 3.48Å; L39-F42 PolarHBondContact O-N 2.66Å; S40-F42 PolarHBondContact O-N 3Å; F42-P453 HydrophobicContact CB-CB 3.97Å; F42-P453 HydrophobicContact CB-CG 4.32Å; F42-P453 HydrophobicContact CD1-CB 3.79Å; F42-P453 HydrophobicContact CD1-CG 3.66Å; F42-P453 HydrophobicContact CD2-CB 4.27Å; F42-P453 HydrophobicContact CD2-CG 3.67Å; F42-P453 HydrophobicContact CE1-CB 4.36Å; F42-P453 HydrophobicContact CE1-CG 3.8Å; F42-P453 HydrophobicContact CE2-CG 3.8Å; F42-P453 HydrophobicContact CG-CB 3.74Å; F42-P453 HydrophobicContact CG-CG 3.6Å; F42-P453 HydrophobicContact CZ-CG 3.87Å; F42-W541 HydrophobicContact CD2-CH2 4.38Å; F42-W541 AromaticContact CD2-CZ2 3.79Å; F42-W541 HydrophobicContact CD2-CZ2 3.79Å; F42-W541 HydrophobicContact CE2-CH2 4.49Å; F42-W541 HydrophobicContact CE2-CZ2 4.33Å
43	P	91.9	Very high	92.2	Very high	29 Å²	29	40.3 Å²	40.3	19%	0.188	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-74.9	157.7	-178.6	33	-35.7	0	0	0	111	L41 W69 S70 Q71 F82	L41-P43 VanDerWaalsContact O-CD 3.26Å; L41-P43 WeakPolarHBondContact O-CD 2.99Å; P43-W69 HydrophobicContact CB-CB 4.35Å; P43-W69 HydrophobicContact CB-CE3 3.93Å; P43-W69 HydrophobicContact CG-CE3 3.66Å; P43-W69 HydrophobicContact CG-CZ3 4.07Å; P43-S70 CarbonylContact C-O 3.54Å; P43-S70 WeakPolarHBondContact CA-O 3.43Å; P43-Q71 HydrophobicContact CB-CB 4.25Å; P43-F82 HydrophobicContact CB-CE1 4.19Å; P43-F82 HydrophobicContact CB-CZ 3.82Å; P43-F82 HydrophobicContact CG-CZ 4.23Å
44	S	89	Confident	91.8	Very high	55 Å²	55	41.6 Å²	41.6	39%	0.385	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130.4	170.4	-62.5	0	0	0	0	109.5	W69 S70	S44-W69 CarbonylContact O-C 3.45Å; S44-W69 WeakPolarHBondContact O-CA 3.34Å; S44-S70 PolarHBondContact N-O 3.15Å; S44-S70 PolarHBondContact O-N 2.99Å
45	L	89.8	Confident	91.5	Very high	22 Å²	22	40.8 Å²	40.8	12%	0.115	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	119.6	177.6	-178.1	55.7	0	0	0	109.3	T67 E68 W69 L436 L456	L45-T67 HydrophobicContact CD1-CG2 4.31Å; L45-E68 WeakPolarHBondContact CD1-O 3.12Å; L45-W69 HydrophobicContact CB-CD2 4.46Å; L45-W69 HydrophobicContact CB-CE3 3.91Å; L45-W69 HydrophobicContact CB-CH2 4.31Å; L45-W69 HydrophobicContact CB-CZ3 3.85Å; L45-W69 HydrophobicContact CD1-CD2 3.86Å; L45-W69 HydrophobicContact CD1-CE3 4.16Å; L45-W69 HydrophobicContact CD1-CG 4.37Å; L45-W69 HydrophobicContact CD1-CH2 4.2Å; L45-W69 HydrophobicContact CD1-CZ2 3.86Å; L45-W69 HydrophobicContact CD1-CZ3 4.33Å; L45-W69 HydrophobicContact CD2-CH2 4.02Å; L45-W69 HydrophobicContact CD2-CZ2 4.25Å; L45-W69 HydrophobicContact CD2-CZ3 4.38Å; L45-W69 HydrophobicContact CG-CH2 4.44Å; L45-W69 HydrophobicContact CG-CZ3 4.43Å; L45-L436 HydrophobicContact CD1-CD1 4.39Å; L45-L436 HydrophobicContact CD2-CD1 3.26Å; L45-L436 HydrophobicContact CG-CD1 3.63Å; L45-L436 HydrophobicContact CG-CD2 4.43Å; L45-L456 HydrophobicContact CD2-CB 4.29Å; L45-L456 HydrophobicContact CD2-CD1 3.55Å; L45-L456 HydrophobicContact CD2-CG 4.33Å
46	S	82.4	Confident	91.1	Very high	78 Å²	78	41.4 Å²	41.4	55%	0.545	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-28.1	-175.2	55.3	0	0	0	0	113.5	E68	S46-E68 PolarHBondContact N-O 3.35Å; S46-E68 PolarHBondContact OG-O 3.12Å; S46-E68 VanDerWaalsContact OG-O 3.09Å
47	R	87.2	Confident	90.7	Very high	51 Å²	51	48.9 Å²	48.9	19%	0.192	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	149.5	-174.3	-179.1	177.9	168.4	-177.3	0.5	111.8	D49 T67 E68 S113	R47-D49 IonicContact CZ-OD2 3.74Å; R47-D49 IonicContact NE-OD1 2.87Å; R47-D49 IonicContact NE-OD2 3.28Å; R47-D49 PolarHBondContact NE-OD2 3.42Å; R47-D49 IonicContact NH2-OD1 2.78Å; R47-D49 IonicContact NH2-OD2 3.71Å; R47-D49 PolarHBondContact NH2-OD2 3.2Å; R47-T67 WeakPolarHBondContact O-CA 3.43Å; R47-E68 HydrophobicContact CB-CB 4.15Å; R47-E68 HydrophobicContact CB-CG 4.4Å; R47-E68 PolarHBondContact N-O 3.5Å; R47-E68 PolarHBondContact O-N 3.11Å; R47-S113 VanDerWaalsContact CZ-O 3.25Å; R47-S113 PolarHBondContact NH1-O 3.35Å; R47-S113 PolarHBondContact NH1-OG 3.04Å; R47-S113 PolarHBondContact NH2-O 3.4Å
48	A	91.6	Very high	90.2	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.008	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	146.3	164.2	0	0	0	0	0	110.1	Y66 T67 L436 N437 V444	A48-Y66 CarbonylContact C-O 3.52Å; A48-Y66 VanDerWaalsContact CA-O 3.24Å; A48-Y66 WeakPolarHBondContact CA-O 3.3Å; A48-T67 HydrophobicContact CB-CG2 3.99Å; A48-L436 HydrophobicContact CB-CB 3.84Å; A48-L436 HydrophobicContact CB-CD1 4.04Å; A48-N437 WeakPolarHBondContact O-CB 2.92Å; A48-N437 PolarHBondContact O-ND2 3.32Å; A48-V444 HydrophobicContact CB-CB 4.09Å; A48-V444 HydrophobicContact CB-CG1 3.65Å
49	D	89.8	Confident	89.8	Confident	15 Å²	15	52.9 Å²	52.9	8%	0.08	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	138.3	171.8	-72.3	-60.1	0	0	0	110	R47 I65 Y66 N437	R47-D49 IonicContact CZ-OD2 3.74Å; R47-D49 IonicContact NE-OD1 2.87Å; R47-D49 IonicContact NE-OD2 3.28Å; R47-D49 PolarHBondContact NE-OD2 3.42Å; R47-D49 IonicContact NH2-OD1 2.78Å; R47-D49 IonicContact NH2-OD2 3.71Å; R47-D49 PolarHBondContact NH2-OD2 3.2Å; D49-I65 CarbonylContact O-C 3.57Å; D49-I65 WeakPolarHBondContact O-CA 3.45Å; D49-Y66 PolarHBondContact N-O 2.91Å; D49-Y66 PolarHBondContact O-N 2.88Å; D49-N437 WeakPolarHBondContact CA-ND2 3.19Å; D49-N437 PolarHBondContact OD1-ND2 2.87Å
50	V	91.3	Very high	89.6	Confident	13 Å²	13	54.3 Å²	54.3	8%	0.079	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	115.6	176.4	-175.4	0	0	0	0	107.8	I65 E439 L442 V444	V50-I65 HydrophobicContact CG2-CG1 4.39Å; V50-E439 HydrophobicContact CB-CB 3.65Å; V50-E439 HydrophobicContact CB-CG 4.14Å; V50-E439 HydrophobicContact CG1-CB 4.02Å; V50-E439 HydrophobicContact CG1-CG 4.28Å; V50-E439 HydrophobicContact CG2-CB 4.07Å; V50-L442 HydrophobicContact CG1-CD2 4.09Å; V50-V444 HydrophobicContact CG2-CG2 3.51Å
51	G	88.6	Confident	89.6	Confident	23 Å²	23	57.8 Å²	57.8	24%	0.237	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	178.5	175.2	0	0	0	0	0	112.5	N64 R440	G51-N64 PolarHBondContact N-O 2.91Å; G51-R440 PolarHBondContact O-NH2 2.86Å
52	P	88.2	Confident	89.6	Confident	45 Å²	45	56 Å²	56	29%	0.292	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	164.7	-177.1	26.5	-34.9	0	0	0	113.1	S63	P52-S63 PolarHBondContact O-OG 3.36Å; P52-S63 VanDerWaalsContact O-OG 3.12Å
53	V	90.9	Very high	89.6	Confident	53 Å²	53	54.3 Å²	54.3	32%	0.321	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	121.1	171	-178.6	0	0	0	0	108.7	K61	V53-K61 HydrophobicContact CG1-CB 3.94Å; V53-K61 HydrophobicContact CG1-CD 4.11Å; V53-K61 HydrophobicContact CG1-CG 4.26Å
54	I	89.5	Confident	89.7	Confident	58 Å²	58	55.8 Å²	55.8	30%	0.297	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	128.4	178.6	-56.7	172.1	0	0	0	108.3	K61 Y62	I54-K61 CarbonylContact O-C 3.52Å; I54-K61 WeakPolarHBondContact O-CA 3.47Å; I54-Y62 HydrophobicContact CB-CD1 4.16Å; I54-Y62 HydrophobicContact CB-CD2 4.42Å; I54-Y62 HydrophobicContact CB-CE1 3.66Å; I54-Y62 HydrophobicContact CB-CE2 3.97Å; I54-Y62 HydrophobicContact CD1-CE2 3.78Å; I54-Y62 HydrophobicContact CG1-CE2 4.35Å; I54-Y62 HydrophobicContact CG2-CD1 4.44Å; I54-Y62 HydrophobicContact CG2-CE1 3.56Å; I54-Y62 HydrophobicContact CG2-CE2 4.44Å; I54-Y62 WeakPolarHBondContact CG2-OH 3.45Å; I54-Y62 PolarHBondContact N-O 3.02Å; I54-Y62 WeakPolarHBondContact O-CD1 3.2Å; I54-Y62 PolarHBondContact O-N 3.43Å
55	T	91.5	Very high	89.9	Confident	91 Å²	91	53.1 Å²	53.1	56%	0.558	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	117.4	171.7	-56.1	0	0	0	0	108.6
56	S	88.1	Confident	90	Very high	28 Å²	28	53.5 Å²	53.5	20%	0.196	30%	0.296	C	S	.	.			trans	-64.3	161.8	175.3	69.1	0	0	0	0	111.5	Y58 G59 G60	S56-Y58 PolarHBondContact O-N 2.78Å; S56-G59 PolarHBondContact O-N 2.72Å; S56-G60 VanDerWaalsContact CB-O 3.31Å; S56-G60 WeakPolarHBondContact CB-O 3.36Å; S56-G60 PolarHBondContact N-O 3.47Å; S56-G60 PolarHBondContact OG-N 3.13Å; S56-G60 VanDerWaalsContact OG-N 3.13Å; S56-G60 PolarHBondContact OG-O 2.88Å
57	Q	88.7	Confident	90.4	Very high	166 Å²	166	49.8 Å²	49.8	78%	0.776	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-17	175	67.8	-173.1	2.4	0	0	114.4
58	Y	85.8	Confident	90.6	Very high	200 Å²	200	49 Å²	49	78%	0.784	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	10.1	177.9	-54.7	-66.6	0	0	0	112.9	S56 G60	S56-Y58 PolarHBondContact O-N 2.78Å; Y58-G60 VanDerWaalsContact C-N 3.29Å; Y58-G60 PolarHBondContact O-N 2.74Å
59	G	86.8	Confident	90.6	Very high	52 Å²	52	49.4 Å²	49.4	54%	0.536	27%	0.27	S	S	.	.	S	Bend	trans	82.8	-8.9	178.2	0	0	0	0	0	115.5	S56	S56-G59 PolarHBondContact O-N 2.72Å
60	G	90.1	Very high	90.7	Very high	33 Å²	33	50 Å²	50	34%	0.34	28%	0.275	S	S	.	.			trans	-72.8	140	174.6	0	0	0	0	0	111.8	S56 Y58	S56-G60 VanDerWaalsContact CB-O 3.31Å; S56-G60 WeakPolarHBondContact CB-O 3.36Å; S56-G60 PolarHBondContact N-O 3.47Å; S56-G60 PolarHBondContact OG-N 3.13Å; S56-G60 VanDerWaalsContact OG-N 3.13Å; S56-G60 PolarHBondContact OG-O 2.88Å; Y58-G60 VanDerWaalsContact C-N 3.29Å; Y58-G60 PolarHBondContact O-N 2.74Å
61	K	94.6	Very high	90.8	Very high	77 Å²	77	52 Å²	52	34%	0.335	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	146.4	179.4	-59.8	179.3	-175.7	-177.4	0	111.2	V53 I54 F89 H90 D92	V53-K61 HydrophobicContact CG1-CB 3.94Å; V53-K61 HydrophobicContact CG1-CD 4.11Å; V53-K61 HydrophobicContact CG1-CG 4.26Å; I54-K61 CarbonylContact O-C 3.52Å; I54-K61 WeakPolarHBondContact O-CA 3.47Å; K61-F89 VanDerWaalsContact O-CA 3.3Å; K61-F89 WeakPolarHBondContact O-CA 3.43Å; K61-H90 PolarHBondContact O-N 3.06Å; K61-D92 WeakPolarHBondContact CD-OD2 3.38Å; K61-D92 IonicContact NZ-OD2 2.78Å; K61-D92 PolarHBondContact NZ-OD2 2.9Å
62	Y	93.8	Very high	91	Very high	49 Å²	49	53.4 Å²	53.4	19%	0.192	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	157.3	171.8	71.6	-87.9	0	0	0	112.3	I54 I87 V88 F89	I54-Y62 HydrophobicContact CB-CD1 4.16Å; I54-Y62 HydrophobicContact CB-CD2 4.42Å; I54-Y62 HydrophobicContact CB-CE1 3.66Å; I54-Y62 HydrophobicContact CB-CE2 3.97Å; I54-Y62 HydrophobicContact CD1-CE2 3.78Å; I54-Y62 HydrophobicContact CG1-CE2 4.35Å; I54-Y62 HydrophobicContact CG2-CD1 4.44Å; I54-Y62 HydrophobicContact CG2-CE1 3.56Å; I54-Y62 HydrophobicContact CG2-CE2 4.44Å; I54-Y62 WeakPolarHBondContact CG2-OH 3.45Å; I54-Y62 PolarHBondContact N-O 3.02Å; I54-Y62 WeakPolarHBondContact O-CD1 3.2Å; I54-Y62 PolarHBondContact O-N 3.43Å; Y62-I87 HydrophobicContact CD2-CD1 3.48Å; Y62-I87 VanDerWaalsContact CD2-CD1 3.48Å; Y62-I87 HydrophobicContact CD2-CG1 3.58Å; Y62-I87 HydrophobicContact CE2-CD1 3.72Å; Y62-I87 HydrophobicContact CE2-CG1 4.24Å; Y62-I87 HydrophobicContact CG-CD1 3.95Å; Y62-I87 HydrophobicContact CG-CG1 4.09Å; Y62-V88 CarbonylContact C-O 3.59Å; Y62-V88 WeakPolarHBondContact CA-O 3.33Å; Y62-V88 WeakPolarHBondContact CB-O 3.28Å; Y62-F89 HydrophobicContact CD1-CD1 4.5Å; Y62-F89 AromaticContact CD1-CE1 4Å; Y62-F89 HydrophobicContact CD1-CE1 4Å; Y62-F89 HydrophobicContact CD1-CZ 4.36Å; Y62-F89 HydrophobicContact CG-CE1 4.27Å; Y62-F89 HydrophobicContact CG-CZ 4.43Å
63	S	93.3	Very high	91.3	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.014	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	145.4	168.1	-77.8	0	0	0	0	110.3	P52 V88 H90	P52-S63 PolarHBondContact O-OG 3.36Å; P52-S63 VanDerWaalsContact O-OG 3.12Å; S63-V88 PolarHBondContact N-O 3.03Å; S63-V88 PolarHBondContact O-N 3.3Å; S63-H90 PolarHBondContact OG-NE2 3.31Å
64	N	92.4	Very high	91.4	Very high	59 Å²	59	53 Å²	53	32%	0.316	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	139.1	170.3	-68.7	-39.9	0	0	0	109.2	G51 Y86	G51-N64 PolarHBondContact N-O 2.91Å; N64-Y86 CarbonylContact C-O 3.49Å; N64-Y86 VanDerWaalsContact CA-O 3.29Å; N64-Y86 WeakPolarHBondContact CA-O 3.31Å
65	I	93.4	Very high	91.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	122.2	173.4	-61	176.1	0	0	0	108	D49 V50 T67 Q85 Y86 V88 L442 V444 V458 L475	D49-I65 CarbonylContact O-C 3.57Å; D49-I65 WeakPolarHBondContact O-CA 3.45Å; V50-I65 HydrophobicContact CG2-CG1 4.39Å; I65-T67 HydrophobicContact CG2-CG2 4.06Å; I65-Q85 CarbonylContact O-C 3.5Å; I65-Q85 WeakPolarHBondContact O-CA 3.36Å; I65-Y86 PolarHBondContact N-O 3.39Å; I65-Y86 PolarHBondContact O-N 2.86Å; I65-V88 HydrophobicContact CD1-CB 4.46Å; I65-V88 HydrophobicContact CD1-CG2 3.54Å; I65-V88 HydrophobicContact CG1-CG2 4.2Å; I65-L442 HydrophobicContact CD1-CD2 4.49Å; I65-V444 HydrophobicContact CD1-CG2 3.98Å; I65-V444 HydrophobicContact CG2-CG1 4.36Å; I65-V444 HydrophobicContact CG2-CG2 4.29Å; I65-V458 HydrophobicContact CD1-CG1 3.56Å; I65-L475 HydrophobicContact CD1-CD1 3.87Å
66	Y	91.6	Very high	91.7	Very high	30 Å²	30	57.7 Å²	57.7	12%	0.118	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	139.8	171.8	173.8	-96.8	0	0	0	108.8	A48 D49 E68 C83 Q85	A48-Y66 CarbonylContact C-O 3.52Å; A48-Y66 VanDerWaalsContact CA-O 3.24Å; A48-Y66 WeakPolarHBondContact CA-O 3.3Å; D49-Y66 PolarHBondContact N-O 2.91Å; D49-Y66 PolarHBondContact O-N 2.88Å; Y66-E68 HydrophobicContact CD1-CG 4.35Å; Y66-E68 HydrophobicContact CE1-CG 3.4Å; Y66-E68 WeakPolarHBondContact CE1-OE1 3.46Å; Y66-E68 PolarHBondContact OH-OE1 2.88Å; Y66-E68 VanDerWaalsContact OH-OE1 3.07Å; Y66-C83 HydrophobicContact CD2-CB 4.21Å; Y66-C83 HydrophobicContact CE2-CB 3.27Å; Y66-C83 VanDerWaalsContact CZ-CB 3.44Å; Y66-C83 VanDerWaalsContact OH-CB 3.26Å; Y66-C83 WeakPolarHBondContact OH-CB 3.42Å; Y66-Q85 HydrophobicContact CD2-CG 4.24Å
67	T	92.4	Very high	92	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	146.5	179.3	53.6	0	0	0	0	110.6	L45 R47 A48 I65 W69 C83 R84 Y86 L456	L45-T67 HydrophobicContact CD1-CG2 4.31Å; R47-T67 WeakPolarHBondContact O-CA 3.43Å; A48-T67 HydrophobicContact CB-CG2 3.99Å; I65-T67 HydrophobicContact CG2-CG2 4.06Å; T67-W69 PolarHBondContact OG1-NE1 2.8Å; T67-C83 CarbonylContact O-C 3.59Å; T67-C83 WeakPolarHBondContact O-CA 3.29Å; T67-C83 WeakPolarHBondContact O-CB 3.48Å; T67-R84 PolarHBondContact N-O 2.94Å; T67-R84 PolarHBondContact O-N 2.78Å; T67-R84 PolarHBondContact OG1-O 2.95Å; T67-Y86 HydrophobicContact CG2-CD2 4.28Å; T67-Y86 HydrophobicContact CG2-CE2 3.92Å; T67-Y86 WeakPolarHBondContact OG1-CE2 3.04Å; T67-L456 HydrophobicContact CG2-CD2 3.73Å
68	E	91.3	Very high	92.2	Very high	33 Å²	33	55.9 Å²	55.9	15%	0.154	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.4	173.9	-57.4	-175.6	159.7	0	0	110.3	L45 S46 R47 Y66	L45-E68 WeakPolarHBondContact CD1-O 3.12Å; S46-E68 PolarHBondContact N-O 3.35Å; S46-E68 PolarHBondContact OG-O 3.12Å; S46-E68 VanDerWaalsContact OG-O 3.09Å; R47-E68 HydrophobicContact CB-CB 4.15Å; R47-E68 HydrophobicContact CB-CG 4.4Å; R47-E68 PolarHBondContact N-O 3.5Å; R47-E68 PolarHBondContact O-N 3.11Å; Y66-E68 HydrophobicContact CD1-CG 4.35Å; Y66-E68 HydrophobicContact CE1-CG 3.4Å; Y66-E68 WeakPolarHBondContact CE1-OE1 3.46Å; Y66-E68 PolarHBondContact OH-OE1 2.88Å; Y66-E68 VanDerWaalsContact OH-OE1 3.07Å
69	W	91.8	Very high	92.4	Very high	10 Å²	10	49.4 Å²	49.4	4%	0.038	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	151.2	-175.3	-56.6	78.1	0	0	0	109	P43 S44 L45 T67 K81 F82 L456 E476	P43-W69 HydrophobicContact CB-CB 4.35Å; P43-W69 HydrophobicContact CB-CE3 3.93Å; P43-W69 HydrophobicContact CG-CE3 3.66Å; P43-W69 HydrophobicContact CG-CZ3 4.07Å; S44-W69 CarbonylContact O-C 3.45Å; S44-W69 WeakPolarHBondContact O-CA 3.34Å; L45-W69 HydrophobicContact CB-CD2 4.46Å; L45-W69 HydrophobicContact CB-CE3 3.91Å; L45-W69 HydrophobicContact CB-CH2 4.31Å; L45-W69 HydrophobicContact CB-CZ3 3.85Å; L45-W69 HydrophobicContact CD1-CD2 3.86Å; L45-W69 HydrophobicContact CD1-CE3 4.16Å; L45-W69 HydrophobicContact CD1-CG 4.37Å; L45-W69 HydrophobicContact CD1-CH2 4.2Å; L45-W69 HydrophobicContact CD1-CZ2 3.86Å; L45-W69 HydrophobicContact CD1-CZ3 4.33Å; L45-W69 HydrophobicContact CD2-CH2 4.02Å; L45-W69 HydrophobicContact CD2-CZ2 4.25Å; L45-W69 HydrophobicContact CD2-CZ3 4.38Å; L45-W69 HydrophobicContact CG-CH2 4.44Å; L45-W69 HydrophobicContact CG-CZ3 4.43Å; T67-W69 PolarHBondContact OG1-NE1 2.8Å; W69-K81 CarbonylContact O-C 3.58Å; W69-K81 VanDerWaalsContact O-CA 3.31Å; W69-K81 WeakPolarHBondContact O-CA 3.49Å; W69-F82 HydrophobicContact CB-CD1 4.14Å; W69-F82 HydrophobicContact CB-CD2 3.76Å; W69-F82 HydrophobicContact CB-CE1 3.72Å; W69-F82 HydrophobicContact CB-CE2 3.33Å; W69-F82 HydrophobicContact CB-CG 4.17Å; W69-F82 HydrophobicContact CB-CZ 3.32Å; W69-F82 AromaticContact CD1-CE2 3.75Å; W69-F82 HydrophobicContact CD2-CE2 4.33Å; W69-F82 HydrophobicContact CG-CD2 4.09Å; W69-F82 AromaticContact CG-CE2 3.51Å; W69-F82 HydrophobicContact CG-CE2 3.51Å; W69-F82 AromaticContact CG-CZ 3.88Å; W69-F82 HydrophobicContact CG-CZ 3.88Å; W69-F82 PolarHBondContact N-O 3.14Å; W69-F82 PolarHBondContact O-N 3.24Å; W69-L456 HydrophobicContact CH2-CB 4.43Å; W69-L456 HydrophobicContact CZ2-CD2 4.26Å; W69-E476 HydrophobicContact CH2-CB 4.49Å; W69-E476 HydrophobicContact CH2-CG 4.38Å
70	S	91.8	Very high	92.7	Very high	27 Å²	27	47.7 Å²	47.7	19%	0.189	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	132.6	171.9	-178.1	0	0	0	0	109.1	P43 S44 V80	P43-S70 CarbonylContact C-O 3.54Å; P43-S70 WeakPolarHBondContact CA-O 3.43Å; S44-S70 PolarHBondContact N-O 3.15Å; S44-S70 PolarHBondContact O-N 2.99Å; S70-V80 WeakPolarHBondContact CA-O 3.17Å
71	Q	92.7	Very high	92.8	Very high	57 Å²	57	50.5 Å²	50.5	27%	0.266	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	141.1	175.2	-178.4	-176.5	51.4	0	0	109.7	L41 P43 D73 N79 V80 F82	L41-Q71 PolarHBondContact O-NE2 3.01Å; P43-Q71 HydrophobicContact CB-CB 4.25Å; Q71-D73 PolarHBondContact O-N 3.24Å; Q71-N79 CarbonylContact O-C 3.57Å; Q71-N79 WeakPolarHBondContact O-CA 3.24Å; Q71-V80 PolarHBondContact N-O 2.91Å; Q71-V80 PolarHBondContact O-N 2.92Å; Q71-F82 HydrophobicContact CB-CE1 3.81Å
72	R	92.9	Very high	92.7	Very high	52 Å²	52	48 Å²	48	20%	0.196	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	120.4	175.2	-63.8	134.8	174.8	102.8	-2.7	108.9	N79 V734 E737	R72-N79 VanDerWaalsContact CG-OD1 3.26Å; R72-N79 WeakPolarHBondContact CG-OD1 3.35Å; R72-V734 HydrophobicContact CB-CG2 4.42Å; R72-V734 HydrophobicContact CG-CG2 4.37Å; R72-E737 IonicContact CZ-OE1 2.79Å; R72-E737 IonicContact CZ-OE2 3.95Å; R72-E737 IonicContact NE-OE1 2.78Å; R72-E737 PolarHBondContact NE-OE1 3.42Å; R72-E737 IonicContact NE-OE2 2.93Å; R72-E737 PolarHBondContact NE-OE2 3Å; R72-E737 IonicContact NH2-OE1 3.8Å; R72-E737 PolarHBondContact NH2-OE1 3.18Å; R72-E737 IonicContact NH2-OE2 3.49Å; R72-E737 PolarHBondContact NH2-OE2 2.66Å
73	D	93.6	Very high	92.6	Very high	48 Å²	48	46.6 Å²	46.6	26%	0.257	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	99.4	165.7	-169.9	-34.4	0	0	0	108.5	Q71 E75 R76 N77 E78 V80	Q71-D73 PolarHBondContact O-N 3.24Å; D73-E75 PolarHBondContact O-N 2.74Å; D73-E75 PolarHBondContact OD1-N 2.82Å; D73-R76 HydrophobicContact CB-CB 4.07Å; D73-R76 PolarHBondContact O-N 3.08Å; D73-R76 PolarHBondContact OD1-N 3.31Å; D73-R76 WeakPolarHBondContact OD2-CD 3.47Å; D73-N77 WeakPolarHBondContact O-CA 3.41Å; D73-N77 PolarHBondContact O-N 2.84Å; D73-E78 PolarHBondContact N-O 2.79Å; D73-E78 PolarHBondContact O-N 3.35Å; D73-V80 HydrophobicContact CB-CG2 3.59Å
74	L	94.5	Very high	92.5	Very high	41 Å²	41	49.2 Å²	49.2	22%	0.215	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-25.7	-176.4	-63.3	171	0	0	0	112.6	Y36 K37 V734	Y36-L74 HydrophobicContact CD1-CD1 4.33Å; Y36-L74 HydrophobicContact CE1-CD1 4.3Å; Y36-L74 HydrophobicContact CE1-CD2 4.09Å; K37-L74 HydrophobicContact CB-CD1 4.4Å; K37-L74 HydrophobicContact CG-CD1 3.65Å; L74-V734 HydrophobicContact CD2-CG1 3.72Å
75	E	93.9	Very high	92.6	Very high	149 Å²	149	51 Å²	51	70%	0.696	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-31.8	-178.2	-52.4	-56.2	167.5	0	0	111.3	K37 D73 N77	K37-E75 IonicContact NZ-OE1 3.13Å; K37-E75 PolarHBondContact NZ-OE1 3.3Å; D73-E75 PolarHBondContact O-N 2.74Å; D73-E75 PolarHBondContact OD1-N 2.82Å; E75-N77 VanDerWaalsContact C-N 3.34Å
76	R	93.6	Very high	92.6	Very high	98 Å²	98	51 Å²	51	37%	0.37	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-10.9	169.5	-67.4	171.6	66.4	-175.1	-10.3	113.4	D73 E78 E106	D73-R76 HydrophobicContact CB-CB 4.07Å; D73-R76 PolarHBondContact O-N 3.08Å; D73-R76 PolarHBondContact OD1-N 3.31Å; D73-R76 WeakPolarHBondContact OD2-CD 3.47Å; R76-E78 VanDerWaalsContact C-N 3.3Å; R76-E78 HydrophobicContact CB-CG 3.9Å; R76-E78 IonicContact CZ-OE1 3.39Å; R76-E78 IonicContact NE-OE1 3.81Å; R76-E78 PolarHBondContact NE-OE1 2.85Å; R76-E78 IonicContact NH2-OE1 3.21Å; R76-E78 PolarHBondContact NH2-OE1 3.39Å; R76-E78 PolarHBondContact O-N 2.86Å; R76-E106 IonicContact CZ-OE1 2.66Å; R76-E106 VanDerWaalsContact CZ-OE1 3.28Å; R76-E106 IonicContact NH1-OE1 2.76Å; R76-E106 PolarHBondContact NH1-OE1 3.27Å; R76-E106 IonicContact NH1-OE2 2.62Å; R76-E106 PolarHBondContact NH1-OE2 2.98Å; R76-E106 VanDerWaalsContact NH1-OE2 3.09Å; R76-E106 IonicContact NH2-OE1 3.36Å; R76-E106 PolarHBondContact NH2-OE1 3.08Å
77	N	93.9	Very high	92.8	Very high	77 Å²	77	51.2 Å²	51.2	41%	0.412	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	43.8	-173.3	-169.6	30	0	0	0	113	D73 E75 D735	D73-N77 WeakPolarHBondContact O-CA 3.41Å; D73-N77 PolarHBondContact O-N 2.84Å; E75-N77 VanDerWaalsContact C-N 3.34Å; N77-D735 PolarHBondContact ND2-OD2 2.69Å; N77-D735 VanDerWaalsContact ND2-OD2 3.16Å; N77-D735 WeakPolarHBondContact OD1-CA 3.27Å; N77-D735 VanDerWaalsContact OD1-CB 3.25Å; N77-D735 WeakPolarHBondContact OD1-CB 3.48Å; N77-D735 PolarHBondContact OD1-N 2.88Å
78	E	91.6	Very high	92.9	Very high	80 Å²	80	51.2 Å²	51.2	37%	0.374	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	158.4	179.4	72.5	-173.4	155	0	0	112.4	D73 R76 V80	D73-E78 PolarHBondContact N-O 2.79Å; D73-E78 PolarHBondContact O-N 3.35Å; R76-E78 VanDerWaalsContact C-N 3.3Å; R76-E78 HydrophobicContact CB-CG 3.9Å; R76-E78 IonicContact CZ-OE1 3.39Å; R76-E78 IonicContact NE-OE1 3.81Å; R76-E78 PolarHBondContact NE-OE1 2.85Å; R76-E78 IonicContact NH2-OE1 3.21Å; R76-E78 PolarHBondContact NH2-OE1 3.39Å; R76-E78 PolarHBondContact O-N 2.86Å; E78-V80 HydrophobicContact CG-CG2 4.14Å; E78-V80 PolarHBondContact O-N 3.06Å
79	N	90.7	Very high	93.1	Very high	63 Å²	63	52.6 Å²	52.6	34%	0.337	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	106.5	171.1	-76.4	-48.8	0	0	0	108.7	Q71 R72 K81 V734	Q71-N79 CarbonylContact O-C 3.57Å; Q71-N79 WeakPolarHBondContact O-CA 3.24Å; R72-N79 VanDerWaalsContact CG-OD1 3.26Å; R72-N79 WeakPolarHBondContact CG-OD1 3.35Å; N79-K81 PolarHBondContact O-N 3.26Å; N79-V734 WeakPolarHBondContact OD1-CG2 3.38Å
80	V	92.6	Very high	93.3	Very high	17 Å²	17	52.6 Å²	52.6	10%	0.103	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	121.7	178.2	177.6	0	0	0	0	108.8	S70 Q71 D73 E78 E106	S70-V80 WeakPolarHBondContact CA-O 3.17Å; Q71-V80 PolarHBondContact N-O 2.91Å; Q71-V80 PolarHBondContact O-N 2.92Å; D73-V80 HydrophobicContact CB-CG2 3.59Å; E78-V80 HydrophobicContact CG-CG2 4.14Å; E78-V80 PolarHBondContact O-N 3.06Å; V80-E106 HydrophobicContact CG1-CB 4.49Å; V80-E106 HydrophobicContact CG1-CG 3.68Å
81	K	92.1	Very high	93.3	Very high	92 Å²	92	55.4 Å²	55.4	40%	0.4	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	134.2	171	-65.4	-178	-177.8	177.4	0	109.6	W69 N79 E106 V107	W69-K81 CarbonylContact O-C 3.58Å; W69-K81 VanDerWaalsContact O-CA 3.31Å; W69-K81 WeakPolarHBondContact O-CA 3.49Å; N79-K81 PolarHBondContact O-N 3.26Å; K81-E106 WeakPolarHBondContact O-CA 3.5Å; K81-V107 PolarHBondContact O-N 3.05Å
82	F	92.8	Very high	93.1	Very high	24 Å²	24	55.9 Å²	55.9	11%	0.105	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	159.4	175.6	64	-93.6	0	0	0	111.1	P43 W69 Q71 C104 T105	P43-F82 HydrophobicContact CB-CE1 4.19Å; P43-F82 HydrophobicContact CB-CZ 3.82Å; P43-F82 HydrophobicContact CG-CZ 4.23Å; W69-F82 HydrophobicContact CB-CD1 4.14Å; W69-F82 HydrophobicContact CB-CD2 3.76Å; W69-F82 HydrophobicContact CB-CE1 3.72Å; W69-F82 HydrophobicContact CB-CE2 3.33Å; W69-F82 HydrophobicContact CB-CG 4.17Å; W69-F82 HydrophobicContact CB-CZ 3.32Å; W69-F82 AromaticContact CD1-CE2 3.75Å; W69-F82 HydrophobicContact CD2-CE2 4.33Å; W69-F82 HydrophobicContact CG-CD2 4.09Å; W69-F82 AromaticContact CG-CE2 3.51Å; W69-F82 HydrophobicContact CG-CE2 3.51Å; W69-F82 AromaticContact CG-CZ 3.88Å; W69-F82 HydrophobicContact CG-CZ 3.88Å; W69-F82 PolarHBondContact N-O 3.14Å; W69-F82 PolarHBondContact O-N 3.24Å; Q71-F82 HydrophobicContact CB-CE1 3.81Å; F82-C104 WeakPolarHBondContact CD2-SG 3.5Å; F82-C104 VanDerWaalsContact CG-SG 3.57Å; F82-T105 CarbonylContact C-O 3.59Å; F82-T105 WeakPolarHBondContact CA-O 3.36Å; F82-T105 VanDerWaalsContact CB-O 3.28Å; F82-T105 WeakPolarHBondContact CB-O 3.47Å
83	C	92.1	Very high	92.9	Very high	19 Å²	19	61.8 Å²	61.8	13%	0.128	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	157.1	179.6	68.3	0	0	0	0	112.8	Y66 T67 C104 T105 V107	Y66-C83 HydrophobicContact CD2-CB 4.21Å; Y66-C83 HydrophobicContact CE2-CB 3.27Å; Y66-C83 VanDerWaalsContact CZ-CB 3.44Å; Y66-C83 VanDerWaalsContact OH-CB 3.26Å; Y66-C83 WeakPolarHBondContact OH-CB 3.42Å; T67-C83 CarbonylContact O-C 3.59Å; T67-C83 WeakPolarHBondContact O-CA 3.29Å; T67-C83 WeakPolarHBondContact O-CB 3.48Å; C83-C104 WeakPolarHBondContact O-CA 3.33Å; C83-T105 PolarHBondContact N-O 3.04Å; C83-T105 PolarHBondContact O-N 2.94Å; C83-V107 HydrophobicContact CB-CG2 4.1Å
84	R	91.9	Very high	92.8	Very high	58 Å²	58	62 Å²	62	22%	0.219	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	146.8	174.9	-169.7	164.4	175.6	-164.2	-9.6	110.6	T67 Y86 E476	T67-R84 PolarHBondContact N-O 2.94Å; T67-R84 PolarHBondContact O-N 2.78Å; T67-R84 PolarHBondContact OG1-O 2.95Å; R84-Y86 HydrophobicContact CB-CE2 4.31Å; R84-Y86 WeakPolarHBondContact CD-OH 2.95Å; R84-Y86 HydrophobicContact CG-CE2 4.12Å; R84-E476 IonicContact CZ-OE1 3.64Å; R84-E476 IonicContact CZ-OE2 2.86Å; R84-E476 IonicContact NH1-OE1 3.54Å; R84-E476 PolarHBondContact NH1-OE1 3.12Å; R84-E476 IonicContact NH1-OE2 2.62Å; R84-E476 PolarHBondContact NH1-OE2 3.22Å; R84-E476 IonicContact NH2-OE1 2.9Å; R84-E476 IonicContact NH2-OE2 2.66Å; R84-E476 PolarHBondContact NH2-OE2 2.91Å
85	Q	92.7	Very high	92.8	Very high	96 Å²	96	61.2 Å²	61.2	45%	0.449	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140.4	-178.8	-66.6	-179.7	-13.6	0	0	111.5	I65 Y66 S101 G102	I65-Q85 CarbonylContact O-C 3.5Å; I65-Q85 WeakPolarHBondContact O-CA 3.36Å; Y66-Q85 HydrophobicContact CD2-CG 4.24Å; Q85-S101 PolarHBondContact O-N 2.95Å; Q85-S101 PolarHBondContact O-OG 3.21Å; Q85-G102 PolarHBondContact O-N 3.41Å
86	Y	94.4	Very high	92.8	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	154.3	174.7	-52.6	-94.6	0	0	0	109.4	N64 I65 T67 R84 G99 T100 S101 L456 L475	N64-Y86 CarbonylContact C-O 3.49Å; N64-Y86 VanDerWaalsContact CA-O 3.29Å; N64-Y86 WeakPolarHBondContact CA-O 3.31Å; I65-Y86 PolarHBondContact N-O 3.39Å; I65-Y86 PolarHBondContact O-N 2.86Å; T67-Y86 HydrophobicContact CG2-CD2 4.28Å; T67-Y86 HydrophobicContact CG2-CE2 3.92Å; T67-Y86 WeakPolarHBondContact OG1-CE2 3.04Å; R84-Y86 HydrophobicContact CB-CE2 4.31Å; R84-Y86 WeakPolarHBondContact CD-OH 2.95Å; R84-Y86 HydrophobicContact CG-CE2 4.12Å; Y86-G99 CarbonylContact C-O 3.56Å; Y86-G99 VanDerWaalsContact CA-O 3.32Å; Y86-G99 WeakPolarHBondContact CA-O 3.35Å; Y86-T100 HydrophobicContact CD1-CG2 3.96Å; Y86-T100 HydrophobicContact CE1-CG2 3.81Å; Y86-S101 PolarHBondContact N-OG 2.96Å; Y86-L456 HydrophobicContact CD2-CD2 4.24Å; Y86-L456 HydrophobicContact CE2-CD2 3.66Å; Y86-L475 HydrophobicContact CD1-CB 4.01Å; Y86-L475 HydrophobicContact CD1-CD1 4.49Å; Y86-L475 HydrophobicContact CD2-CD1 4.42Å; Y86-L475 HydrophobicContact CE1-CB 4.13Å; Y86-L475 HydrophobicContact CG-CB 4.47Å; Y86-L475 HydrophobicContact CG-CD1 4.15Å
87	I	94.6	Very high	92.7	Very high	34 Å²	34	61 Å²	61	17%	0.174	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.5	169.1	-173.4	165.7	0	0	0	108.3	Y62 F89 S98 G99	Y62-I87 HydrophobicContact CD2-CD1 3.48Å; Y62-I87 VanDerWaalsContact CD2-CD1 3.48Å; Y62-I87 HydrophobicContact CD2-CG1 3.58Å; Y62-I87 HydrophobicContact CE2-CD1 3.72Å; Y62-I87 HydrophobicContact CE2-CG1 4.24Å; Y62-I87 HydrophobicContact CG-CD1 3.95Å; Y62-I87 HydrophobicContact CG-CG1 4.09Å; I87-F89 HydrophobicContact CD1-CD2 4.4Å; I87-F89 HydrophobicContact CD1-CE2 3.56Å; I87-F89 HydrophobicContact CD1-CZ 3.87Å; I87-F89 HydrophobicContact CG1-CD2 4.14Å; I87-F89 HydrophobicContact CG1-CE2 3.77Å; I87-F89 HydrophobicContact CG1-CZ 4.48Å; I87-F89 HydrophobicContact CG2-CE2 4.45Å; I87-S98 VanDerWaalsContact O-CA 3.3Å; I87-S98 WeakPolarHBondContact O-CA 3.43Å; I87-G99 PolarHBondContact N-O 2.95Å; I87-G99 PolarHBondContact O-N 3.2Å
88	V	96.1	Very high	92.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	110.3	180	-178	0	0	0	0	108.2	Y62 S63 I65 H90 V95 Y97 L475	Y62-V88 CarbonylContact C-O 3.59Å; Y62-V88 WeakPolarHBondContact CA-O 3.33Å; Y62-V88 WeakPolarHBondContact CB-O 3.28Å; S63-V88 PolarHBondContact N-O 3.03Å; S63-V88 PolarHBondContact O-N 3.3Å; I65-V88 HydrophobicContact CD1-CB 4.46Å; I65-V88 HydrophobicContact CD1-CG2 3.54Å; I65-V88 HydrophobicContact CG1-CG2 4.2Å; V88-H90 PolarHBondContact O-CD2 2.86Å; V88-H90 VanDerWaalsContact O-CD2 3.32Å; V88-V95 HydrophobicContact CG1-CB 4.36Å; V88-V95 HydrophobicContact CG1-CG1 3.72Å; V88-V95 HydrophobicContact CG1-CG2 3.83Å; V88-Y97 CarbonylContact C-O 3.52Å; V88-L475 HydrophobicContact CG2-CD1 4.45Å; V88-L475 HydrophobicContact CG2-CD2 3.95Å
89	F	95.9	Very high	92.5	Very high	62 Å²	62	55.4 Å²	55.4	27%	0.272	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	135.2	170.5	-71.4	-99.9	0	0	0	109.6	K61 Y62 I87 V96 Y97	K61-F89 VanDerWaalsContact O-CA 3.3Å; K61-F89 WeakPolarHBondContact O-CA 3.43Å; Y62-F89 HydrophobicContact CD1-CD1 4.5Å; Y62-F89 AromaticContact CD1-CE1 4Å; Y62-F89 HydrophobicContact CD1-CE1 4Å; Y62-F89 HydrophobicContact CD1-CZ 4.36Å; Y62-F89 HydrophobicContact CG-CE1 4.27Å; Y62-F89 HydrophobicContact CG-CZ 4.43Å; I87-F89 HydrophobicContact CD1-CD2 4.4Å; I87-F89 HydrophobicContact CD1-CE2 3.56Å; I87-F89 HydrophobicContact CD1-CZ 3.87Å; I87-F89 HydrophobicContact CG1-CD2 4.14Å; I87-F89 HydrophobicContact CG1-CE2 3.77Å; I87-F89 HydrophobicContact CG1-CZ 4.48Å; I87-F89 HydrophobicContact CG2-CE2 4.45Å; F89-V96 PolarHBondContact O-N 3.28Å; F89-Y97 AromaticContact CD2-CD1 3.73Å; F89-Y97 HydrophobicContact CD2-CD1 3.73Å; F89-Y97 HydrophobicContact CE2-CD1 4.18Å; F89-Y97 PolarHBondContact N-O 2.8Å; F89-Y97 PolarHBondContact O-N 2.82Å
90	H	95.1	Very high	92.4	Very high	10 Å²	10	56.3 Å²	56.3	5%	0.046	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	165.5	-175.1	56.5	85	0	0	0	112	K61 S63 V88 D92 S94 F460	K61-H90 PolarHBondContact O-N 3.06Å; S63-H90 PolarHBondContact OG-NE2 3.31Å; V88-H90 PolarHBondContact O-CD2 2.86Å; V88-H90 VanDerWaalsContact O-CD2 3.32Å; H90-D92 IonicContact CE1-OD1 3.45Å; H90-D92 PolarHBondContact CE1-OD1 3.03Å; H90-D92 PolarHBondContact ND1-N 2.58Å; H90-D92 IonicContact ND1-OD1 2.99Å; H90-D92 PolarHBondContact ND1-OD1 3.1Å; H90-S94 VanDerWaalsContact CA-O 3.22Å; H90-S94 WeakPolarHBondContact CA-O 3.31Å; H90-S94 WeakPolarHBondContact CB-O 3.4Å; H90-F460 HydrophobicContact CB-CE2 3.63Å; H90-F460 HydrophobicContact CB-CZ 3.75Å; H90-F460 AromaticContact CG-CZ 3.72Å; H90-F460 AromaticContact ND1-CZ 3.83Å
91	D	92.3	Very high	92.1	Very high	87 Å²	87	58.3 Å²	58.3	47%	0.465	30%	0.301	S	S	.	.			trans	-108.7	19.5	171.3	66	0.7	0	0	0	112.6	K93 S94	D91-K93 PolarHBondContact O-N 2.85Å; D91-K93 PolarHBondContact OD1-N 2.87Å; D91-S94 PolarHBondContact N-O 2.85Å; D91-S94 PolarHBondContact OD1-N 2.85Å; D91-S94 PolarHBondContact OD1-OG 2.85Å; D91-S94 PolarHBondContact OD2-OG 2.93Å
92	D	87.9	Confident	91.5	Very high	67 Å²	67	55.2 Å²	55.2	36%	0.358	30%	0.295	S	S	.	.	S	Bend	trans	70.6	3.9	-175.8	-48.1	-37	0	0	0	114.6	K61 H90	K61-D92 WeakPolarHBondContact CD-OD2 3.38Å; K61-D92 IonicContact NZ-OD2 2.78Å; K61-D92 PolarHBondContact NZ-OD2 2.9Å; H90-D92 IonicContact CE1-OD1 3.45Å; H90-D92 PolarHBondContact CE1-OD1 3.03Å; H90-D92 PolarHBondContact ND1-N 2.58Å; H90-D92 IonicContact ND1-OD1 2.99Å; H90-D92 PolarHBondContact ND1-OD1 3.1Å
93	K	88.8	Confident	91.1	Very high	176 Å²	176	61 Å²	61	77%	0.765	33%	0.327	S	S	*	.	S	Bend	trans	-129	-27.1	174.5	-62.9	-175.9	178.7	-176	0	112.7	D91 F460	D91-K93 PolarHBondContact O-N 2.85Å; D91-K93 PolarHBondContact OD1-N 2.87Å; K93-F460 VanDerWaalsContact O-CB 3.26Å; K93-F460 WeakPolarHBondContact O-CB 3.3Å
94	S	92.3	Very high	90.9	Very high	51 Å²	51	63.8 Å²	63.8	36%	0.357	35%	0.346	S	S	.	.	S	Bend	trans	-144.5	153	-176.2	71.9	0	0	0	0	110.9	H90 D91	H90-S94 VanDerWaalsContact CA-O 3.22Å; H90-S94 WeakPolarHBondContact CA-O 3.31Å; H90-S94 WeakPolarHBondContact CB-O 3.4Å; D91-S94 PolarHBondContact N-O 2.85Å; D91-S94 PolarHBondContact OD1-N 2.85Å; D91-S94 PolarHBondContact OD1-OG 2.85Å; D91-S94 PolarHBondContact OD2-OG 2.93Å
95	V	94.3	Very high	90.8	Very high	26 Å²	26	64.8 Å²	64.8	16%	0.158	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	119.4	172.8	174.5	0	0	0	0	108.4	V88 L442 V458 F460 V473	V88-V95 HydrophobicContact CG1-CB 4.36Å; V88-V95 HydrophobicContact CG1-CG1 3.72Å; V88-V95 HydrophobicContact CG1-CG2 3.83Å; V95-L442 HydrophobicContact CG2-CD1 4.36Å; V95-V458 HydrophobicContact CG2-CG2 4.04Å; V95-F460 HydrophobicContact CG2-CD2 4.29Å; V95-F460 HydrophobicContact CG2-CE2 4.12Å; V95-V473 HydrophobicContact CB-CB 4.33Å; V95-V473 HydrophobicContact CB-CG2 3.82Å; V95-V473 HydrophobicContact CG1-CB 4.16Å; V95-V473 HydrophobicContact CG1-CG1 4.11Å; V95-V473 HydrophobicContact CG1-CG2 4Å
96	V	92.6	Very high	90.8	Very high	103 Å²	103	63.7 Å²	63.7	62%	0.624	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	-42.2	-179.9	178.3	0	0	0	0	110.8	F89	F89-V96 PolarHBondContact O-N 3.28Å
97	Y	91.8	Very high	90.6	Very high	138 Å²	138	65.1 Å²	65.1	54%	0.541	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	145.9	179	172.4	-97.9	0	0	0	109.6	V88 F89	V88-Y97 CarbonylContact C-O 3.52Å; F89-Y97 AromaticContact CD2-CD1 3.73Å; F89-Y97 HydrophobicContact CD2-CD1 3.73Å; F89-Y97 HydrophobicContact CE2-CD1 4.18Å; F89-Y97 PolarHBondContact N-O 2.8Å; F89-Y97 PolarHBondContact O-N 2.82Å
98	S	92.5	Very high	90.4	Very high	25 Å²	25	69.4 Å²	69.4	18%	0.175	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	147.7	171.7	58.2	0	0	0	0	111	I87 V473	I87-S98 VanDerWaalsContact O-CA 3.3Å; I87-S98 WeakPolarHBondContact O-CA 3.43Å; S98-V473 WeakPolarHBondContact OG-CG1 3.4Å
99	G	89.2	Confident	89.9	Confident	16 Å²	16	71.1 Å²	71.1	17%	0.165	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	165.5	176.9	0	0	0	0	0	112.3	Y86 I87	Y86-G99 CarbonylContact C-O 3.56Å; Y86-G99 VanDerWaalsContact CA-O 3.32Å; Y86-G99 WeakPolarHBondContact CA-O 3.35Å; I87-G99 PolarHBondContact N-O 2.95Å; I87-G99 PolarHBondContact O-N 3.2Å
100	T	89.1	Confident	89.7	Confident	81 Å²	81	69.6 Å²	69.6	50%	0.497	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	128.4	172.5	54.5	0	0	0	0	109.4	Y86	Y86-T100 HydrophobicContact CD1-CG2 3.96Å; Y86-T100 HydrophobicContact CE1-CG2 3.81Å
101	S	85.9	Confident	89.5	Confident	59 Å²	59	70.1 Å²	70.1	41%	0.413	39%	0.394	S	S	.	.			trans	-104.7	-15.5	-179.8	55.4	0	0	0	0	113.6	Q85 Y86	Q85-S101 PolarHBondContact O-N 2.95Å; Q85-S101 PolarHBondContact O-OG 3.21Å; Y86-S101 PolarHBondContact N-OG 2.96Å
102	G	79.1	Confident	89.4	Confident	27 Å²	27	67.1 Å²	67.1	28%	0.278	38%	0.378	S	S	.	.	S	Bend	trans	-143.4	166.1	-178.6	0	0	0	0	0	114.3	Q85	Q85-G102 PolarHBondContact O-N 3.41Å
103	N	84.6	Confident	89.6	Confident	146 Å²	146	64.3 Å²	64.3	78%	0.781	36%	0.363	S	S	*	.			trans	-78.1	156.1	173.3	-68.2	-35.7	0	0	0	111.2	T105	N103-T105 PolarHBondContact O-N 3.1Å; N103-T105 PolarHBondContact O-OG1 2.85Å
104	C	87.1	Confident	89.7	Confident	77 Å²	77	58.4 Å²	58.4	52%	0.52	34%	0.338	S	S	.	.			trans	-61.8	131.6	168.1	178	0	0	0	0	110.5	F82 C83	F82-C104 WeakPolarHBondContact CD2-SG 3.5Å; F82-C104 VanDerWaalsContact CG-SG 3.57Å; C83-C104 WeakPolarHBondContact O-CA 3.33Å
105	T	91.4	Very high	89.5	Confident	80 Å²	80	58.6 Å²	58.6	49%	0.491	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	126.5	-179.8	-53.1	0	0	0	0	110.9	F82 C83 N103	F82-T105 CarbonylContact C-O 3.59Å; F82-T105 WeakPolarHBondContact CA-O 3.36Å; F82-T105 VanDerWaalsContact CB-O 3.28Å; F82-T105 WeakPolarHBondContact CB-O 3.47Å; C83-T105 PolarHBondContact N-O 3.04Å; C83-T105 PolarHBondContact O-N 2.94Å; N103-T105 PolarHBondContact O-N 3.1Å; N103-T105 PolarHBondContact O-OG1 2.85Å
106	E	92.7	Very high	89.4	Confident	73 Å²	73	57.7 Å²	57.7	34%	0.341	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	137.2	175.1	-176	176	-179.4	0	0	111.2	R76 V80 K81 K108	R76-E106 IonicContact CZ-OE1 2.66Å; R76-E106 VanDerWaalsContact CZ-OE1 3.28Å; R76-E106 IonicContact NH1-OE1 2.76Å; R76-E106 PolarHBondContact NH1-OE1 3.27Å; R76-E106 IonicContact NH1-OE2 2.62Å; R76-E106 PolarHBondContact NH1-OE2 2.98Å; R76-E106 VanDerWaalsContact NH1-OE2 3.09Å; R76-E106 IonicContact NH2-OE1 3.36Å; R76-E106 PolarHBondContact NH2-OE1 3.08Å; V80-E106 HydrophobicContact CG1-CB 4.49Å; V80-E106 HydrophobicContact CG1-CG 3.68Å; K81-E106 WeakPolarHBondContact O-CA 3.5Å; E106-K108 HydrophobicContact CG-CG 4.13Å; E106-K108 WeakPolarHBondContact OE1-CE 3.14Å; E106-K108 IonicContact OE1-NZ 2.76Å; E106-K108 WeakPolarHBondContact OE2-CE 3.32Å; E106-K108 IonicContact OE2-NZ 2.9Å
107	V	89.6	Confident	89.2	Confident	29 Å²	29	56.5 Å²	56.5	18%	0.176	32%	0.324	C	S	.	.			trans	-110.2	117.6	178.9	-177.3	0	0	0	0	108.6	K81 C83 E110	K81-V107 PolarHBondContact O-N 3.05Å; C83-V107 HydrophobicContact CB-CG2 4.1Å; V107-E110 HydrophobicContact CG1-CB 3.54Å; V107-E110 HydrophobicContact CG1-CG 4.2Å
108	K	89.4	Confident	89	Confident	124 Å²	124	52.3 Å²	52.3	54%	0.539	32%	0.315	S	S	.	.			trans	-116	135.2	-176.6	-67.7	-168.2	175.5	-169.8	0	113	E106 E110 R126	E106-K108 HydrophobicContact CG-CG 4.13Å; E106-K108 WeakPolarHBondContact OE1-CE 3.14Å; E106-K108 IonicContact OE1-NZ 2.76Å; E106-K108 WeakPolarHBondContact OE2-CE 3.32Å; E106-K108 IonicContact OE2-NZ 2.9Å; K108-E110 PolarHBondContact O-N 3.14Å; K108-E110 VanDerWaalsContact O-N 3.17Å; K108-R126 PolarHBondContact O-NH1 3.13Å
109	G	87.4	Confident	88.6	Confident	37 Å²	37	52.6 Å²	52.6	38%	0.381	32%	0.322	S	S	.	.	S	Bend	trans	69.5	4.6	174.4	0	0	0	0	0	115	L111 R126 E127	G109-L111 PolarHBondContact O-N 2.84Å; G109-R126 CarbonylContact O-C 3.41Å; G109-R126 VanDerWaalsContact O-CA 3.24Å; G109-R126 WeakPolarHBondContact O-CA 3.38Å; G109-R126 VanDerWaalsContact O-CG 3.27Å; G109-R126 WeakPolarHBondContact O-CG 3.43Å; G109-E127 PolarHBondContact O-N 3.24Å
110	E	91.1	Very high	88.6	Confident	29 Å²	29	56.9 Å²	56.9	14%	0.136	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	115.9	175.1	-175.5	158.1	140.2	0	0	109.8	V107 K108 S113 V124 R126	V107-E110 HydrophobicContact CG1-CB 3.54Å; V107-E110 HydrophobicContact CG1-CG 4.2Å; K108-E110 PolarHBondContact O-N 3.14Å; K108-E110 VanDerWaalsContact O-N 3.17Å; E110-S113 WeakPolarHBondContact OE1-CB 3.34Å; E110-S113 PolarHBondContact OE1-OG 2.99Å; E110-V124 HydrophobicContact CB-CG1 4.47Å; E110-V124 HydrophobicContact CG-CG1 3.69Å; E110-R126 IonicContact OE2-NH2 3.41Å; E110-R126 PolarHBondContact OE2-NH2 2.92Å
111	L	90.3	Very high	88.8	Confident	22 Å²	22	55 Å²	55	12%	0.115	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-48.8	-180	-51.9	-171.1	0	0	0	110.7	G109 V125 E127 Q136 E163	G109-L111 PolarHBondContact O-N 2.84Å; L111-V125 HydrophobicContact CB-CG1 4.31Å; L111-V125 HydrophobicContact CD1-CG1 4.18Å; L111-V125 PolarHBondContact N-O 3.14Å; L111-E127 HydrophobicContact CD1-CB 4.03Å; L111-E127 HydrophobicContact CD2-CB 3.84Å; L111-E127 HydrophobicContact CG-CB 4.09Å; L111-Q136 HydrophobicContact CD1-CG 4.22Å; L111-E163 HydrophobicContact CB-CB 4.14Å; L111-E163 HydrophobicContact CB-CG 4.44Å; L111-E163 WeakPolarHBondContact CB-OE2 3.28Å; L111-E163 HydrophobicContact CD1-CG 4.46Å; L111-E163 WeakPolarHBondContact CD2-OE2 3.29Å
112	L	91.3	Very high	89.1	Confident	24 Å²	24	54.2 Å²	54.2	13%	0.126	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	146.2	178	-61.5	173.2	0	0	0	109.6	V124 V125 V161 L174	L112-V124 CarbonylContact O-C 3.54Å; L112-V124 WeakPolarHBondContact O-CA 3.19Å; L112-V125 HydrophobicContact CB-CB 4.14Å; L112-V125 HydrophobicContact CB-CG2 4.29Å; L112-V125 PolarHBondContact N-O 3.33Å; L112-V125 PolarHBondContact O-N 2.71Å; L112-V161 HydrophobicContact CD1-CG1 4.17Å; L112-L174 HydrophobicContact CB-CB 4.16Å; L112-L174 HydrophobicContact CB-CD2 4.03Å; L112-L174 HydrophobicContact CD1-CB 4.23Å
113	S	91.1	Very high	89.9	Confident	7 Å²	7	52.9 Å²	52.9	5%	0.049	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	148.1	170.4	65.4	0	0	0	0	113.1	R47 E110 A123	R47-S113 VanDerWaalsContact CZ-O 3.25Å; R47-S113 PolarHBondContact NH1-O 3.35Å; R47-S113 PolarHBondContact NH1-OG 3.04Å; R47-S113 PolarHBondContact NH2-O 3.4Å; E110-S113 WeakPolarHBondContact OE1-CB 3.34Å; E110-S113 PolarHBondContact OE1-OG 2.99Å; S113-A123 CarbonylContact C-O 3.56Å; S113-A123 WeakPolarHBondContact CA-O 3.48Å
114	K	90.4	Very high	90.4	Very high	53 Å²	53	46 Å²	46	23%	0.23	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	131.3	179.7	-161.9	66.6	174.8	178.6	0	111.4	K122 A123 L174 W176	K114-K122 WeakPolarHBondContact O-CA 3.4Å; K114-A123 PolarHBondContact N-O 3.21Å; K114-A123 PolarHBondContact O-N 2.94Å; K114-L174 HydrophobicContact CB-CD2 4.27Å; K114-L174 HydrophobicContact CB-CG 4.28Å; K114-L174 WeakPolarHBondContact CB-O 3.16Å; K114-W176 PolarHBondContact O-NE1 3.49Å
115	D	88.9	Confident	90.8	Very high	55 Å²	55	42.4 Å²	42.4	29%	0.294	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	142	168.7	-57.1	-68.1	0	0	0	109.8	K122	D115-K122 VanDerWaalsContact CG-NZ 3.3Å; D115-K122 WeakPolarHBondContact OD1-CG 3.32Å; D115-K122 IonicContact OD1-NZ 3.67Å; D115-K122 PolarHBondContact OD1-NZ 3.45Å; D115-K122 IonicContact OD2-NZ 2.59Å; D115-K122 PolarHBondContact OD2-NZ 2.96Å
116	S	91.9	Very high	91	Very high	6 Å²	6	40.8 Å²	40.8	4%	0.042	22%	0.223	C	C	.	.			trans	-64.3	154.8	175.9	58.4	0	0	0	0	111.6	S118 G119 E120 M121 E180	S116-S118 PolarHBondContact O-N 3.09Å; S116-G119 WeakPolarHBondContact O-CA 3.2Å; S116-G119 PolarHBondContact O-N 2.7Å; S116-G119 PolarHBondContact OG-N 2.79Å; S116-E120 PolarHBondContact OG-N 3.27Å; S116-M121 WeakPolarHBondContact CB-O 3.39Å; S116-M121 PolarHBondContact N-O 3.41Å; S116-M121 WeakPolarHBondContact OG-CA 3.46Å; S116-M121 PolarHBondContact OG-N 3.2Å; S116-M121 PolarHBondContact OG-O 3.46Å; S116-E180 WeakPolarHBondContact CB-OE1 3.31Å; S116-E180 PolarHBondContact OG-OE1 2.89Å
117	P	88.4	Confident	91.1	Very high	79 Å²	79	39.5 Å²	39.5	51%	0.513	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-39.9	177.9	-30.8	33.2	0	0	0	115.5	W176 E180	P117-W176 HydrophobicContact CG-CB 4.26Å; P117-E180 WeakPolarHBondContact CD-OE1 3.43Å; P117-E180 HydrophobicContact CG-CG 4.27Å
118	S	87.2	Confident	91.2	Very high	50 Å²	50	40.2 Å²	40.2	35%	0.35	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-25.8	177.2	68.3	0	0	0	0	112.8	S116 E120 E180	S116-S118 PolarHBondContact O-N 3.09Å; S118-E120 VanDerWaalsContact C-N 3.32Å; S118-E120 WeakPolarHBondContact OG-CB 3.38Å; S118-E120 PolarHBondContact OG-N 2.85Å; S118-E180 WeakPolarHBondContact CB-OE1 3.23Å; S118-E180 PolarHBondContact N-OE1 3.24Å; S118-E180 VanDerWaalsContact OG-CD 3.22Å; S118-E180 PolarHBondContact OG-OE1 2.83Å; S118-E180 PolarHBondContact OG-OE2 2.78Å
119	G	85.1	Confident	91.4	Very high	31 Å²	31	39.5 Å²	39.5	32%	0.32	23%	0.229	S	C	.	.	S	Bend	trans	81.7	4.2	-172.2	0	0	0	0	0	114.4	S116	S116-G119 WeakPolarHBondContact O-CA 3.2Å; S116-G119 PolarHBondContact O-N 2.7Å; S116-G119 PolarHBondContact OG-N 2.79Å
120	E	88.1	Confident	91.5	Very high	105 Å²	105	40.3 Å²	40.3	49%	0.491	23%	0.226	S	C	.	.	S	Bend	trans	-81	-22.3	-179	-68.6	-65.6	133.5	0	0	113.3	S116 S118 S142	S116-E120 PolarHBondContact OG-N 3.27Å; S118-E120 VanDerWaalsContact C-N 3.32Å; S118-E120 WeakPolarHBondContact OG-CB 3.38Å; S118-E120 PolarHBondContact OG-N 2.85Å; E120-S142 PolarHBondContact O-OG 2.72Å
121	M	93.2	Very high	91.4	Very high	42 Å²	42	48.8 Å²	48.8	21%	0.207	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	156.5	179	-59.7	-175.5	-73.4	0	0	113	S116 I140 W141 W176 E180	S116-M121 WeakPolarHBondContact CB-O 3.39Å; S116-M121 PolarHBondContact N-O 3.41Å; S116-M121 WeakPolarHBondContact OG-CA 3.46Å; S116-M121 PolarHBondContact OG-N 3.2Å; S116-M121 PolarHBondContact OG-O 3.46Å; M121-I140 HydrophobicContact SD-CG2 4.27Å; M121-W141 CarbonylContact C-O 3.42Å; M121-W141 WeakPolarHBondContact CA-O 3.41Å; M121-W176 HydrophobicContact CB-CH2 3.67Å; M121-W176 HydrophobicContact CB-CZ2 3.97Å; M121-W176 HydrophobicContact CB-CZ3 4.43Å; M121-W176 HydrophobicContact CE-CH2 4Å; M121-W176 HydrophobicContact CE-CZ3 3.66Å; M121-W176 HydrophobicContact SD-CH2 4.12Å; M121-W176 HydrophobicContact SD-CZ3 4.31Å; M121-E180 HydrophobicContact CE-CB 3.67Å
122	K	93.1	Very high	91.4	Very high	42 Å²	42	51.1 Å²	51.1	18%	0.183	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	130.2	173	-170.4	-175	-158.1	84.1	0	110.8	K114 D115 V124 W141	K114-K122 WeakPolarHBondContact O-CA 3.4Å; D115-K122 VanDerWaalsContact CG-NZ 3.3Å; D115-K122 WeakPolarHBondContact OD1-CG 3.32Å; D115-K122 IonicContact OD1-NZ 3.67Å; D115-K122 PolarHBondContact OD1-NZ 3.45Å; D115-K122 IonicContact OD2-NZ 2.59Å; D115-K122 PolarHBondContact OD2-NZ 2.96Å; K122-V124 HydrophobicContact CD-CG2 4.19Å; K122-V124 HydrophobicContact CG-CG2 4.2Å; K122-W141 HydrophobicContact CB-CB 4.34Å; K122-W141 PolarHBondContact N-O 3.33Å; K122-W141 PolarHBondContact O-N 3.46Å
123	A	95.5	Very high	91.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	138.3	173.4	0	0	0	0	0	109.1	S113 K114 E139 L174 W176 L183	S113-A123 CarbonylContact C-O 3.56Å; S113-A123 WeakPolarHBondContact CA-O 3.48Å; K114-A123 PolarHBondContact N-O 3.21Å; K114-A123 PolarHBondContact O-N 2.94Å; A123-E139 CarbonylContact C-O 3.57Å; A123-E139 WeakPolarHBondContact CA-O 3.2Å; A123-L174 HydrophobicContact CB-CD1 4.35Å; A123-L174 HydrophobicContact CB-CD2 3.99Å; A123-L174 HydrophobicContact CB-CG 4.33Å; A123-W176 HydrophobicContact CB-CZ2 3.56Å; A123-L183 HydrophobicContact CB-CD1 3.68Å; A123-L183 HydrophobicContact CB-CD2 3.7Å; A123-L183 HydrophobicContact CB-CG 4.36Å
124	V	95.3	Very high	91.4	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.012	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	123.6	178.6	-173.9	0	0	0	0	110.2	E110 L112 K122 R126 E139	E110-V124 HydrophobicContact CB-CG1 4.47Å; E110-V124 HydrophobicContact CG-CG1 3.69Å; L112-V124 CarbonylContact O-C 3.54Å; L112-V124 WeakPolarHBondContact O-CA 3.19Å; K122-V124 HydrophobicContact CD-CG2 4.19Å; K122-V124 HydrophobicContact CG-CG2 4.2Å; V124-R126 HydrophobicContact CG1-CB 4.47Å; V124-E139 HydrophobicContact CB-CB 4.38Å; V124-E139 PolarHBondContact N-O 3.18Å; V124-E139 PolarHBondContact O-N 3.15Å
125	V	96	Very high	91.6	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	118.6	164.3	-179.3	0	0	0	0	107.5	L111 L112 F137 L138 V161 L174	L111-V125 HydrophobicContact CB-CG1 4.31Å; L111-V125 HydrophobicContact CD1-CG1 4.18Å; L111-V125 PolarHBondContact N-O 3.14Å; L112-V125 HydrophobicContact CB-CB 4.14Å; L112-V125 HydrophobicContact CB-CG2 4.29Å; L112-V125 PolarHBondContact N-O 3.33Å; L112-V125 PolarHBondContact O-N 2.71Å; V125-F137 CarbonylContact C-O 3.6Å; V125-F137 WeakPolarHBondContact CA-O 3.5Å; V125-L138 HydrophobicContact CG2-CD1 3.89Å; V125-V161 HydrophobicContact CG1-CB 4.29Å; V125-V161 HydrophobicContact CG1-CG1 4.19Å; V125-V161 HydrophobicContact CG1-CG2 4.47Å; V125-V161 HydrophobicContact CG2-CG1 4.43Å; V125-L174 HydrophobicContact CG2-CD1 4.24Å; V125-L174 HydrophobicContact CG2-CD2 4.28Å
126	R	95.1	Very high	92	Very high	47 Å²	47	57.7 Å²	57.7	18%	0.177	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	132.8	-175.6	-167.8	175.5	-63.2	-70.7	-8.1	111	K108 G109 E110 V124 Q136 F137 E139	K108-R126 PolarHBondContact O-NH1 3.13Å; G109-R126 CarbonylContact O-C 3.41Å; G109-R126 VanDerWaalsContact O-CA 3.24Å; G109-R126 WeakPolarHBondContact O-CA 3.38Å; G109-R126 VanDerWaalsContact O-CG 3.27Å; G109-R126 WeakPolarHBondContact O-CG 3.43Å; E110-R126 IonicContact OE2-NH2 3.41Å; E110-R126 PolarHBondContact OE2-NH2 2.92Å; V124-R126 HydrophobicContact CG1-CB 4.47Å; R126-Q136 CarbonylContact O-C 3.43Å; R126-Q136 WeakPolarHBondContact O-CA 3.24Å; R126-F137 PolarHBondContact N-O 3.18Å; R126-F137 PolarHBondContact O-N 2.96Å; R126-E139 IonicContact CZ-OE2 3.09Å; R126-E139 IonicContact NE-OE1 2.88Å; R126-E139 IonicContact NE-OE2 2.75Å; R126-E139 PolarHBondContact NE-OE2 2.94Å; R126-E139 IonicContact NH2-OE2 2.83Å
127	E	94.6	Very high	92.2	Very high	46 Å²	46	59 Å²	59	22%	0.215	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	133.6	167.4	-163.4	166.5	52	0	0	110.1	G109 L111 E134 K135 K160	G109-E127 PolarHBondContact O-N 3.24Å; L111-E127 HydrophobicContact CD1-CB 4.03Å; L111-E127 HydrophobicContact CD2-CB 3.84Å; L111-E127 HydrophobicContact CG-CB 4.09Å; E127-E134 HydrophobicContact CG-CB 4.36Å; E127-K135 WeakPolarHBondContact CA-O 3.33Å; E127-K160 IonicContact OE2-NZ 2.8Å; E127-K160 PolarHBondContact OE2-NZ 3.2Å; E127-K160 VanDerWaalsContact OE2-NZ 3.09Å
128	C	92.7	Very high	92.6	Very high	44 Å²	44	55.3 Å²	55.3	30%	0.297	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	138.2	-179.4	-70	0	0	0	0	109.8	V130 K135 F137	C128-V130 HydrophobicContact CB-CG2 4.33Å; C128-V130 PolarHBondContact O-N 2.93Å; C128-K135 PolarHBondContact N-O 3.41Å; C128-K135 PolarHBondContact O-N 3.01Å; C128-F137 HydrophobicContact CB-CD2 4.29Å; C128-F137 HydrophobicContact CB-CE2 4.19Å
129	T	92.2	Very high	93	Very high	108 Å²	108	53.4 Å²	53.4	66%	0.663	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	112.6	169.8	-47.8	0	0	0	0	109.7	E133	T129-E133 CarbonylContact C-O 3.46Å; T129-E133 WeakPolarHBondContact CA-O 3.37Å
130	V	90.4	Very high	93.6	Very high	54 Å²	54	52 Å²	52	33%	0.327	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	115.4	179.3	-178.7	0	0	0	0	108.8	C128 G132 E133 K135 F137	C128-V130 HydrophobicContact CB-CG2 4.33Å; C128-V130 PolarHBondContact O-N 2.93Å; V130-G132 PolarHBondContact O-N 3.15Å; V130-E133 PolarHBondContact N-O 3.39Å; V130-E133 PolarHBondContact O-N 3.04Å; V130-E133 VanDerWaalsContact O-N 3.14Å; V130-K135 HydrophobicContact CB-CD 4.07Å; V130-K135 HydrophobicContact CB-CG 4.46Å; V130-F137 HydrophobicContact CG2-CE2 4.12Å; V130-F137 HydrophobicContact CG2-CZ 4.33Å
131	K	89.5	Confident	93.9	Very high	208 Å²	208	51.1 Å²	51.1	90%	0.904	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	35	-176	-58.7	-178.6	177.5	-179.3	0	113.6	E133	K131-E133 VanDerWaalsContact C-N 3.31Å
132	G	88.9	Confident	93.9	Very high	70 Å²	70	50.7 Å²	50.7	72%	0.722	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	-2	-180	0	0	0	0	0	115	V130	V130-G132 PolarHBondContact O-N 3.15Å
133	E	89.4	Confident	93.5	Very high	115 Å²	115	56.7 Å²	56.7	54%	0.537	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	136.8	175.9	-62.7	174.9	164.9	0	0	110.5	T129 V130 K131 K135	T129-E133 CarbonylContact C-O 3.46Å; T129-E133 WeakPolarHBondContact CA-O 3.37Å; V130-E133 PolarHBondContact N-O 3.39Å; V130-E133 PolarHBondContact O-N 3.04Å; V130-E133 VanDerWaalsContact O-N 3.14Å; K131-E133 VanDerWaalsContact C-N 3.31Å; E133-K135 WeakPolarHBondContact OE2-CE 3.36Å; E133-K135 IonicContact OE2-NZ 3.12Å; E133-K135 PolarHBondContact OE2-NZ 3.21Å
134	E	93.2	Very high	93.1	Very high	114 Å²	114	64.3 Å²	64.3	53%	0.533	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	128.5	168.5	-68.4	176.8	176	0	0	110.3	E127 K160	E127-E134 HydrophobicContact CG-CB 4.36Å; E134-K160 IonicContact OE2-NZ 2.65Å; E134-K160 PolarHBondContact OE2-NZ 3.34Å
135	K	95.3	Very high	93	Very high	41 Å²	41	69.8 Å²	69.8	18%	0.178	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.1	176.9	-56.1	-168	-172.2	-160	0	109.9	E127 C128 V130 E133 F137	E127-K135 WeakPolarHBondContact CA-O 3.33Å; C128-K135 PolarHBondContact N-O 3.41Å; C128-K135 PolarHBondContact O-N 3.01Å; V130-K135 HydrophobicContact CB-CD 4.07Å; V130-K135 HydrophobicContact CB-CG 4.46Å; E133-K135 WeakPolarHBondContact OE2-CE 3.36Å; E133-K135 IonicContact OE2-NZ 3.12Å; E133-K135 PolarHBondContact OE2-NZ 3.21Å; K135-F137 HydrophobicContact CB-CD2 4.46Å; K135-F137 HydrophobicContact CB-CE2 3.78Å; K135-F137 HydrophobicContact CB-CZ 4.39Å
136	Q	96.4	Very high	92.9	Very high	7 Å²	7	73.9 Å²	73.9	3%	0.033	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	130.6	174.9	-70.4	-179.8	-38.4	0	0	110.1	L111 R126 L152 T153 V161	L111-Q136 HydrophobicContact CD1-CG 4.22Å; R126-Q136 CarbonylContact O-C 3.43Å; R126-Q136 WeakPolarHBondContact O-CA 3.24Å; Q136-L152 WeakPolarHBondContact O-CB 3.24Å; Q136-L152 PolarHBondContact O-N 3.5Å; Q136-T153 PolarHBondContact N-OG1 3Å; Q136-V161 PolarHBondContact NE2-O 2.87Å
137	F	96.4	Very high	92.9	Very high	35 Å²	35	75.6 Å²	75.6	15%	0.154	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	140.4	175.9	-67.5	-94.8	0	0	0	110.2	V125 R126 C128 V130 K135 E139 I150 N151	V125-F137 CarbonylContact C-O 3.6Å; V125-F137 WeakPolarHBondContact CA-O 3.5Å; R126-F137 PolarHBondContact N-O 3.18Å; R126-F137 PolarHBondContact O-N 2.96Å; C128-F137 HydrophobicContact CB-CD2 4.29Å; C128-F137 HydrophobicContact CB-CE2 4.19Å; V130-F137 HydrophobicContact CG2-CE2 4.12Å; V130-F137 HydrophobicContact CG2-CZ 4.33Å; K135-F137 HydrophobicContact CB-CD2 4.46Å; K135-F137 HydrophobicContact CB-CE2 3.78Å; K135-F137 HydrophobicContact CB-CZ 4.39Å; F137-E139 HydrophobicContact CB-CG 4.46Å; F137-I150 CarbonylContact C-O 3.55Å; F137-I150 WeakPolarHBondContact CA-O 3.08Å; F137-N151 HydrophobicContact CD1-CB 3.94Å; F137-N151 HydrophobicContact CE1-CB 3.6Å; F137-N151 HydrophobicContact CZ-CB 4.32Å
138	L	96.8	Very high	92.9	Very high	0 Å²	0	75.6 Å²	75.6	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	115.7	165.7	-178.3	53.3	0	0	0	108.5	V125 I150 L152 L174 Y185 L249	V125-L138 HydrophobicContact CG2-CD1 3.89Å; L138-I150 PolarHBondContact N-O 3.3Å; L138-I150 PolarHBondContact O-N 3.46Å; L138-L152 HydrophobicContact CB-CD1 4.02Å; L138-L152 HydrophobicContact CB-CD2 4.01Å; L138-L152 HydrophobicContact CB-CG 4.04Å; L138-L174 HydrophobicContact CD1-CD1 4.19Å; L138-Y185 HydrophobicContact CD2-CD1 4.39Å; L138-Y185 HydrophobicContact CD2-CE1 4.12Å; L138-L249 HydrophobicContact CD2-CB 4.15Å; L138-L249 HydrophobicContact CD2-CD2 3.45Å; L138-L249 VanDerWaalsContact CD2-CD2 3.45Å; L138-L249 HydrophobicContact CD2-CG 4.38Å; L138-L249 HydrophobicContact CG-CD2 4.07Å
139	E	96.6	Very high	93	Very high	11 Å²	11	76.3 Å²	76.3	5%	0.051	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	139.5	-177.3	-52	-175.6	131.4	0	0	110.1	A123 V124 R126 F137 W141 K146 K148	A123-E139 CarbonylContact C-O 3.57Å; A123-E139 WeakPolarHBondContact CA-O 3.2Å; V124-E139 HydrophobicContact CB-CB 4.38Å; V124-E139 PolarHBondContact N-O 3.18Å; V124-E139 PolarHBondContact O-N 3.15Å; R126-E139 IonicContact CZ-OE2 3.09Å; R126-E139 IonicContact NE-OE1 2.88Å; R126-E139 IonicContact NE-OE2 2.75Å; R126-E139 PolarHBondContact NE-OE2 2.94Å; R126-E139 IonicContact NH2-OE2 2.83Å; F137-E139 HydrophobicContact CB-CG 4.46Å; E139-W141 PolarHBondContact OE2-NE1 3.04Å; E139-K146 HydrophobicContact CB-CD 3.94Å; E139-K146 HydrophobicContact CG-CD 3.96Å; E139-K146 WeakPolarHBondContact OE1-CD 3.44Å; E139-K146 IonicContact OE1-NZ 3.75Å; E139-K146 PolarHBondContact OE1-NZ 3.25Å; E139-K148 WeakPolarHBondContact CA-O 3.02Å
140	I	96.5	Very high	93.1	Very high	2 Å²	2	72.2 Å²	72.2	1%	0.01	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122.7	170.3	-59.8	172.6	0	0	0	108.1	M121 K146 V147 K148 W176 L183 L249 I251	M121-I140 HydrophobicContact SD-CG2 4.27Å; I140-K146 CarbonylContact O-C 3.58Å; I140-V147 PolarHBondContact O-N 3.25Å; I140-K148 HydrophobicContact CB-CB 4.14Å; I140-K148 HydrophobicContact CD1-CB 4.38Å; I140-K148 HydrophobicContact CD1-CD 4.15Å; I140-K148 HydrophobicContact CG1-CB 4.45Å; I140-K148 PolarHBondContact N-O 2.72Å; I140-K148 PolarHBondContact O-N 2.96Å; I140-K148 VanDerWaalsContact O-N 3.16Å; I140-W176 HydrophobicContact CG2-CH2 3.97Å; I140-L183 HydrophobicContact CD1-CD1 3.97Å; I140-L183 HydrophobicContact CG1-CD1 4.09Å; I140-L249 HydrophobicContact CD1-CD2 4.13Å; I140-I251 HydrophobicContact CD1-CB 4.23Å; I140-I251 HydrophobicContact CD1-CD1 3.95Å; I140-I251 HydrophobicContact CD1-CG1 3.75Å; I140-I251 HydrophobicContact CD1-CG2 3.61Å
141	W	95.1	Very high	93.4	Very high	85 Å²	85	71.8 Å²	71.8	32%	0.322	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	138	-179.8	-61.7	79.1	0	0	0	108.9	M121 K122 E139 I145 K146	M121-W141 CarbonylContact C-O 3.42Å; M121-W141 WeakPolarHBondContact CA-O 3.41Å; K122-W141 HydrophobicContact CB-CB 4.34Å; K122-W141 PolarHBondContact N-O 3.33Å; K122-W141 PolarHBondContact O-N 3.46Å; E139-W141 PolarHBondContact OE2-NE1 3.04Å; W141-I145 WeakPolarHBondContact CA-O 3.3Å; W141-K146 HydrophobicContact CD2-CB 3.97Å; W141-K146 HydrophobicContact CD2-CG 4.35Å; W141-K146 HydrophobicContact CE3-CB 3.82Å; W141-K146 HydrophobicContact CH2-CB 3.95Å; W141-K146 HydrophobicContact CH2-CD 4.33Å; W141-K146 HydrophobicContact CZ2-CB 4.08Å; W141-K146 HydrophobicContact CZ2-CD 3.78Å; W141-K146 HydrophobicContact CZ2-CG 4.27Å; W141-K146 HydrophobicContact CZ3-CB 3.82Å
142	S	92.6	Very high	93.6	Very high	33 Å²	33	62 Å²	62	23%	0.231	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	129.8	168.2	-178	0	0	0	0	108.7	E120 N144 I145	E120-S142 PolarHBondContact O-OG 2.72Å; S142-N144 PolarHBondContact O-N 2.74Å; S142-I145 PolarHBondContact N-O 2.77Å; S142-I145 PolarHBondContact O-N 3.13Å
143	K	85.2	Confident	93.9	Very high	169 Å²	169	61.7 Å²	61.7	74%	0.735	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	-113.1	-173.2	-58.6	174	-178.2	173.5	0	110.2
144	N	86.3	Confident	94.1	Very high	160 Å²	160	59.3 Å²	59.3	86%	0.856	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	15.9	-178	-59.8	-27.7	0	0	0	113.1	S142	S142-N144 PolarHBondContact O-N 2.74Å
145	I	93.1	Very high	94	Very high	116 Å²	116	57.4 Å²	57.4	60%	0.595	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.6	-172.2	-57.2	175.8	0	0	0	109.4	W141 S142 V147	W141-I145 WeakPolarHBondContact CA-O 3.3Å; S142-I145 PolarHBondContact N-O 2.77Å; S142-I145 PolarHBondContact O-N 3.13Å; I145-V147 PolarHBondContact O-N 3.14Å
146	K	94.9	Very high	93.9	Very high	86 Å²	86	61.3 Å²	61.3	37%	0.374	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	103.6	163.1	-177.9	163.5	61	166.5	0	108.2	E139 I140 W141 K148 S149	E139-K146 HydrophobicContact CB-CD 3.94Å; E139-K146 HydrophobicContact CG-CD 3.96Å; E139-K146 WeakPolarHBondContact OE1-CD 3.44Å; E139-K146 IonicContact OE1-NZ 3.75Å; E139-K146 PolarHBondContact OE1-NZ 3.25Å; I140-K146 CarbonylContact O-C 3.58Å; W141-K146 HydrophobicContact CD2-CB 3.97Å; W141-K146 HydrophobicContact CD2-CG 4.35Å; W141-K146 HydrophobicContact CE3-CB 3.82Å; W141-K146 HydrophobicContact CH2-CB 3.95Å; W141-K146 HydrophobicContact CH2-CD 4.33Å; W141-K146 HydrophobicContact CZ2-CB 4.08Å; W141-K146 HydrophobicContact CZ2-CD 3.78Å; W141-K146 HydrophobicContact CZ2-CG 4.27Å; W141-K146 HydrophobicContact CZ3-CB 3.82Å; K146-K148 WeakPolarHBondContact CG-O 3.47Å; K146-S149 PolarHBondContact NZ-OG 2.93Å
147	V	94.9	Very high	93.8	Very high	84 Å²	84	66.3 Å²	66.3	51%	0.509	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-40.4	-175.3	-173.7	0	0	0	0	110.8	I140 I145	I140-V147 PolarHBondContact O-N 3.25Å; I145-V147 PolarHBondContact O-N 3.14Å
148	K	94.1	Very high	93.7	Very high	45 Å²	45	65.2 Å²	65.2	20%	0.196	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	151.8	179.5	-66.8	174.2	177.6	-102.7	0	111.7	E139 I140 K146 I251 D254	E139-K148 WeakPolarHBondContact CA-O 3.02Å; I140-K148 HydrophobicContact CB-CB 4.14Å; I140-K148 HydrophobicContact CD1-CB 4.38Å; I140-K148 HydrophobicContact CD1-CD 4.15Å; I140-K148 HydrophobicContact CG1-CB 4.45Å; I140-K148 PolarHBondContact N-O 2.72Å; I140-K148 PolarHBondContact O-N 2.96Å; I140-K148 VanDerWaalsContact O-N 3.16Å; K146-K148 WeakPolarHBondContact CG-O 3.47Å; K148-I251 HydrophobicContact CD-CG2 4Å; K148-I251 WeakPolarHBondContact CE-O 3.28Å; K148-I251 PolarHBondContact NZ-O 2.82Å; K148-D254 WeakPolarHBondContact CD-OD1 3.48Å; K148-D254 IonicContact NZ-OD1 3.71Å; K148-D254 PolarHBondContact NZ-OD1 2.81Å; K148-D254 IonicContact NZ-OD2 2.79Å; K148-D254 PolarHBondContact NZ-OD2 2.82Å
149	S	95.3	Very high	93.6	Very high	60 Å²	60	66.7 Å²	66.7	42%	0.42	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	99.7	179	-171	0	0	0	0	109.2	K146	K146-S149 PolarHBondContact NZ-OG 2.93Å
150	I	95.2	Very high	93.5	Very high	21 Å²	21	71.5 Å²	71.5	11%	0.108	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	125.6	-172.1	-58.3	173.1	0	0	0	109.2	F137 L138 L152 L155 L249	F137-I150 CarbonylContact C-O 3.55Å; F137-I150 WeakPolarHBondContact CA-O 3.08Å; L138-I150 PolarHBondContact N-O 3.3Å; L138-I150 PolarHBondContact O-N 3.46Å; I150-L152 HydrophobicContact CG2-CD2 4.25Å; I150-L152 PolarHBondContact O-N 2.92Å; I150-L155 HydrophobicContact CG2-CD1 3.76Å; I150-L249 HydrophobicContact CD1-CD1 3.35Å; I150-L249 HydrophobicContact CD1-CD2 3.7Å; I150-L249 HydrophobicContact CD1-CG 4.19Å
151	N	95.2	Very high	93.5	Very high	45 Å²	45	71.7 Å²	71.7	24%	0.241	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	92.2	178.3	-174	-23	0	0	0	110.5	F137 T153 A154 L155	F137-N151 HydrophobicContact CD1-CB 3.94Å; F137-N151 HydrophobicContact CE1-CB 3.6Å; F137-N151 HydrophobicContact CZ-CB 4.32Å; N151-T153 VanDerWaalsContact C-N 3.28Å; N151-T153 PolarHBondContact O-N 3.11Å; N151-T153 PolarHBondContact OD1-N 2.89Å; N151-A154 HydrophobicContact CB-CB 3.96Å; N151-A154 VanDerWaalsContact CG-CB 3.45Å; N151-A154 PolarHBondContact O-N 3.01Å; N151-A154 PolarHBondContact OD1-N 3.27Å; N151-L155 WeakPolarHBondContact O-CG 3.22Å; N151-L155 PolarHBondContact O-N 2.99Å
152	L	95.4	Very high	93.5	Very high	2 Å²	2	68 Å²	68	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-60.5	-38.2	-176.9	-60.8	-178.1	0	0	0	112.2	Q136 L138 I150 A154 L155 V161 Y185 V256	Q136-L152 WeakPolarHBondContact O-CB 3.24Å; Q136-L152 PolarHBondContact O-N 3.5Å; L138-L152 HydrophobicContact CB-CD1 4.02Å; L138-L152 HydrophobicContact CB-CD2 4.01Å; L138-L152 HydrophobicContact CB-CG 4.04Å; I150-L152 HydrophobicContact CG2-CD2 4.25Å; I150-L152 PolarHBondContact O-N 2.92Å; L152-A154 VanDerWaalsContact C-N 3.33Å; L152-A154 PolarHBondContact O-N 3.43Å; L152-L155 PolarHBondContact O-N 3.06Å; L152-V161 HydrophobicContact CD1-CG2 3.49Å; L152-V161 VanDerWaalsContact CD1-CG2 3.49Å; L152-Y185 HydrophobicContact CD1-CE2 4.45Å; L152-V256 HydrophobicContact CD2-CG2 4.25Å
153	T	93.9	Very high	93.2	Very high	65 Å²	65	69.9 Å²	69.9	40%	0.399	36%	0.364	S	S	.	.	H	α-helix	trans	-63.9	-38.3	178.6	-52.7	0	0	0	0	112	Q136 N151	Q136-T153 PolarHBondContact N-OG1 3Å; N151-T153 VanDerWaalsContact C-N 3.28Å; N151-T153 PolarHBondContact O-N 3.11Å; N151-T153 PolarHBondContact OD1-N 2.89Å
154	A	93	Very high	92.5	Very high	65 Å²	65	62.4 Å²	62.4	54%	0.537	33%	0.332	S	S	.	.	H	α-helix	trans	-72.7	-27.5	179.9	0	0	0	0	0	113.3	N151 L152 K156	N151-A154 HydrophobicContact CB-CB 3.96Å; N151-A154 VanDerWaalsContact CG-CB 3.45Å; N151-A154 PolarHBondContact O-N 3.01Å; N151-A154 PolarHBondContact OD1-N 3.27Å; L152-A154 VanDerWaalsContact C-N 3.33Å; L152-A154 PolarHBondContact O-N 3.43Å; A154-K156 PolarHBondContact O-N 3.44Å
155	L	92.6	Very high	90.9	Very high	74 Å²	74	57.3 Å²	57.3	39%	0.387	32%	0.317	S	S	.	.	H	α-helix	trans	-67.5	-24.7	179.2	-66.6	178.9	0	0	0	112.9	I150 N151 L152 K157 V256	I150-L155 HydrophobicContact CG2-CD1 3.76Å; N151-L155 WeakPolarHBondContact O-CG 3.22Å; N151-L155 PolarHBondContact O-N 2.99Å; L152-L155 PolarHBondContact O-N 3.06Å; L155-K157 HydrophobicContact CB-CG 4.1Å; L155-K157 PolarHBondContact O-N 2.92Å; L155-V256 HydrophobicContact CD1-CB 3.87Å; L155-V256 HydrophobicContact CD1-CG2 3.69Å
156	K	91.9	Very high	89.1	Confident	123 Å²	123	55.2 Å²	55.2	54%	0.535	31%	0.31	S	S	.	.			trans	48.6	35.1	-179	-57.4	-175.7	178.2	-170.9	0	113.2	A154 K190	A154-K156 PolarHBondContact O-N 3.44Å; K156-K190 WeakPolarHBondContact O-CD 3.38Å; K156-K190 WeakPolarHBondContact O-CE 3.46Å; K156-K190 PolarHBondContact O-NZ 2.58Å
157	K	94.3	Very high	87.3	Confident	112 Å²	112	56.5 Å²	56.5	49%	0.487	32%	0.316	S	S	.	.	S	Bend	trans	-86	-33.1	176.2	-66.9	-65.8	-173.2	179	0	112.2	L155	L155-K157 HydrophobicContact CB-CG 4.1Å; L155-K157 PolarHBondContact O-N 2.92Å
158	H	95.7	Very high	86.2	Confident	11 Å²	11	52.6 Å²	52.6	5%	0.051	29%	0.292	C	S	.	.	S	Bend	trans	-144.1	174.4	178.9	57.8	74.1	0	0	0	109.5	Y185 A187 V245 C247 V258	H158-Y185 AromaticContact CE1-CE2 3.79Å; H158-Y185 AromaticContact NE2-CE2 3.49Å; H158-Y185 WeakPolarHBondContact NE2-CE2 3.41Å; H158-Y185 AromaticContact NE2-CZ 3.57Å; H158-Y185 PolarHBondContact NE2-OH 2.84Å; H158-A187 HydrophobicContact CB-CB 3.94Å; H158-A187 VanDerWaalsContact ND1-CB 3.34Å; H158-A187 WeakPolarHBondContact ND1-CB 3.11Å; H158-V245 HydrophobicContact CB-CG2 4.43Å; H158-C247 VanDerWaalsContact CD2-SG 3.54Å; H158-V258 HydrophobicContact CB-CG2 4.33Å
159	G	94.9	Very high	85.5	Confident	31 Å²	31	54.3 Å²	54.3	32%	0.32	30%	0.301	S	S	.	.	S	Bend	trans	-79.2	-153.5	171.7	0	0	0	0	0	112.8	E188	G159-E188 WeakPolarHBondContact CA-O 3.36Å; G159-E188 PolarHBondContact N-O 3.33Å
160	K	94.5	Very high	85.2	Confident	113 Å²	113	52 Å²	52	49%	0.491	28%	0.284	S	S	.	.			trans	-63.5	138.6	177.9	-72.3	-159.9	174.4	-153.4	0	110.7	E127 E134 A187 E188	E127-K160 IonicContact OE2-NZ 2.8Å; E127-K160 PolarHBondContact OE2-NZ 3.2Å; E127-K160 VanDerWaalsContact OE2-NZ 3.09Å; E134-K160 IonicContact OE2-NZ 2.65Å; E134-K160 PolarHBondContact OE2-NZ 3.34Å; K160-A187 WeakPolarHBondContact O-CA 3.3Å; K160-E188 PolarHBondContact O-N 3.25Å
161	V	95.9	Very high	85.1	Confident	5 Å²	5	51 Å²	51	3%	0.03	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-63.1	136.5	166.7	179.5	0	0	0	0	108.4	L112 V125 Q136 L152 E163 Y185 A187	L112-V161 HydrophobicContact CD1-CG1 4.17Å; V125-V161 HydrophobicContact CG1-CB 4.29Å; V125-V161 HydrophobicContact CG1-CG1 4.19Å; V125-V161 HydrophobicContact CG1-CG2 4.47Å; V125-V161 HydrophobicContact CG2-CG1 4.43Å; Q136-V161 PolarHBondContact NE2-O 2.87Å; L152-V161 HydrophobicContact CD1-CG2 3.49Å; L152-V161 VanDerWaalsContact CD1-CG2 3.49Å; V161-E163 PolarHBondContact O-N 2.85Å; V161-Y185 HydrophobicContact CG1-CD2 4.07Å; V161-Y185 HydrophobicContact CG2-CD2 3.94Å; V161-Y185 HydrophobicContact CG2-CE2 3.84Å; V161-A187 HydrophobicContact CG2-CB 4.47Å
162	Y	94	Very high	84.7	Confident	8 Å²	8	49.1 Å²	49.1	3%	0.031	27%	0.27	C	S	.	.			trans	-79.5	115	179.4	-69.4	-20.5	0	0	0	111.3	F171 G172 V186 E188 K241 S242 P244	Y162-F171 HydrophobicContact CD2-CB 3.46Å; Y162-F171 VanDerWaalsContact CD2-CB 3.46Å; Y162-F171 HydrophobicContact CD2-CD2 4.15Å; Y162-F171 HydrophobicContact CD2-CG 4.04Å; Y162-F171 HydrophobicContact CE2-CB 4.12Å; Y162-F171 HydrophobicContact CE2-CD2 4.09Å; Y162-F171 HydrophobicContact CE2-CG 4.22Å; Y162-F171 HydrophobicContact CG-CB 4.32Å; Y162-G172 VanDerWaalsContact O-CA 3.24Å; Y162-G172 WeakPolarHBondContact O-CA 3.31Å; Y162-V186 HydrophobicContact CD2-CG1 3.8Å; Y162-V186 HydrophobicContact CE2-CG1 4.36Å; Y162-V186 PolarHBondContact N-O 2.86Å; Y162-E188 HydrophobicContact CE1-CB 3.72Å; Y162-E188 PolarHBondContact OH-OE2 2.9Å; Y162-K241 HydrophobicContact CD1-CD 3.87Å; Y162-K241 HydrophobicContact CD1-CG 3.87Å; Y162-K241 HydrophobicContact CD2-CD 4.39Å; Y162-K241 HydrophobicContact CE1-CB 3.79Å; Y162-K241 HydrophobicContact CE1-CD 3.94Å; Y162-K241 HydrophobicContact CE1-CG 3.46Å; Y162-K241 VanDerWaalsContact CE1-CG 3.46Å; Y162-K241 HydrophobicContact CE2-CB 4.16Å; Y162-K241 HydrophobicContact CE2-CD 4.44Å; Y162-K241 HydrophobicContact CE2-CG 4.43Å; Y162-K241 HydrophobicContact CG-CD 4.08Å; Y162-K241 HydrophobicContact CG-CG 4.5Å; Y162-K241 WeakPolarHBondContact OH-CA 3.33Å; Y162-K241 WeakPolarHBondContact OH-CB 3.25Å; Y162-S242 PolarHBondContact OH-N 2.92Å; Y162-S242 VanDerWaalsContact OH-N 3.13Å; Y162-P244 HydrophobicContact CD2-CB 4.34Å; Y162-P244 HydrophobicContact CE2-CB 3.7Å; Y162-P244 HydrophobicContact CE2-CG 4.36Å
163	E	86.1	Confident	84.4	Confident	73 Å²	73	49.6 Å²	49.6	34%	0.341	27%	0.273	S	S	.	.			trans	-98.2	123.6	157.6	50.8	167.2	-170.7	0	0	108.5	L111 V161 K241	L111-E163 HydrophobicContact CB-CB 4.14Å; L111-E163 HydrophobicContact CB-CG 4.44Å; L111-E163 WeakPolarHBondContact CB-OE2 3.28Å; L111-E163 HydrophobicContact CD1-CG 4.46Å; L111-E163 WeakPolarHBondContact CD2-OE2 3.29Å; V161-E163 PolarHBondContact O-N 2.85Å; E163-K241 PolarHBondContact O-NZ 3.04Å
164	D	70.9	Confident	84.5	Confident	11 Å²	11	47.1 Å²	47.1	6%	0.059	26%	0.257	C	S	.	.			trans	-90.5	-8.7	173.6	-69.6	-11.4	0	0	0	112.1	T166 Q170 F171 G172 K241	D164-T166 PolarHBondContact O-N 2.81Å; D164-T166 PolarHBondContact O-OG1 2.7Å; D164-Q170 WeakPolarHBondContact OD2-CA 3.42Å; D164-Q170 PolarHBondContact OD2-N 2.82Å; D164-F171 PolarHBondContact OD2-N 2.88Å; D164-G172 VanDerWaalsContact CG-N 3.32Å; D164-G172 PolarHBondContact OD2-N 2.88Å; D164-K241 IonicContact OD1-NZ 3.53Å; D164-K241 PolarHBondContact OD1-NZ 3.19Å
165	G	53.9	Low	84.6	Confident	53 Å²	53	45.9 Å²	45.9	55%	0.546	24%	0.243	S	C	.	.			trans	55.6	-11.7	163.3	0	0	0	0	0	117.5
166	T	55	Low	84.7	Confident	73 Å²	73	43 Å²	43	45%	0.448	23%	0.227	S	C	.	.	S	Bend	trans	-152.6	129	-166.7	58.2	0	0	0	0	107.9	D164 P168 K295	D164-T166 PolarHBondContact O-N 2.81Å; D164-T166 PolarHBondContact O-OG1 2.7Å; T166-P168 CarbonylContact O-C 3.53Å; T166-P168 VanDerWaalsContact O-O 3.12Å; T166-K295 PolarHBondContact O-NZ 2.79Å; T166-K295 PolarHBondContact OG1-NZ 2.85Å
167	F	57.8	Low	85	Confident	112 Å²	112	37.1 Å²	37.1	49%	0.491	20%	0.202	S	C	.	.	S	Bend	trans	-65.5	145.4	173	-171.8	-91	0	0	0	110.7	K295 Q386	F167-K295 VanDerWaalsContact C-NZ 3.28Å; F167-K295 PolarHBondContact O-NZ 2.79Å; F167-Q386 HydrophobicContact CE1-CB 4.26Å; F167-Q386 HydrophobicContact CE2-CB 3.94Å; F167-Q386 HydrophobicContact CE2-CG 4.43Å; F167-Q386 HydrophobicContact CZ-CB 3.58Å
168	P	69.8	Low	85	Confident	2 Å²	2	35 Å²	35	1%	0.013	19%	0.193	C	C	.	.	S	Bend	cis	-72.9	149.3	-11.2	34	-38.2	0	0	0	112.1	T166 K295 Q386	T166-P168 CarbonylContact O-C 3.53Å; T166-P168 VanDerWaalsContact O-O 3.12Å; P168-K295 PolarHBondContact O-NZ 3.43Å; P168-Q386 HydrophobicContact CB-CB 3.95Å
169	E	79.9	Confident	84.9	Confident	81 Å²	81	37.4 Å²	37.4	38%	0.379	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-83.7	135.9	174.9	-63.4	170.6	174.1	0	0	110.6	Q270	E169-Q270 PolarHBondContact O-NE2 3.3Å
170	Q	89.9	Confident	84.9	Confident	12 Å²	12	37.7 Å²	37.7	6%	0.056	21%	0.205	C	C	.	.	S	Bend	trans	-112	-56.8	-179.9	-59.3	-61.4	10	0	0	112.2	D164 L238 Q270 L294	D164-Q170 WeakPolarHBondContact OD2-CA 3.42Å; D164-Q170 PolarHBondContact OD2-N 2.82Å; Q170-L238 HydrophobicContact CB-CD1 4.5Å; Q170-L238 HydrophobicContact CG-CD1 4.44Å; Q170-Q270 VanDerWaalsContact O-CG 3.26Å; Q170-Q270 WeakPolarHBondContact O-CG 3.49Å; Q170-Q270 PolarHBondContact O-N 3.38Å; Q170-Q270 VanDerWaalsContact O-N 3.16Å; Q170-L294 HydrophobicContact CB-CD1 4.45Å; Q170-L294 HydrophobicContact CG-CB 4.09Å; Q170-L294 PolarHBondContact NE2-O 2.88Å
171	F	92.5	Very high	85	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-109.1	-33.1	178.1	-53.4	-55.9	0	0	0	113.3	Y162 D164 S173 V186 W234 L238 K241 P244 P268 W285 L294	Y162-F171 HydrophobicContact CD2-CB 3.46Å; Y162-F171 VanDerWaalsContact CD2-CB 3.46Å; Y162-F171 HydrophobicContact CD2-CD2 4.15Å; Y162-F171 HydrophobicContact CD2-CG 4.04Å; Y162-F171 HydrophobicContact CE2-CB 4.12Å; Y162-F171 HydrophobicContact CE2-CD2 4.09Å; Y162-F171 HydrophobicContact CE2-CG 4.22Å; Y162-F171 HydrophobicContact CG-CB 4.32Å; D164-F171 PolarHBondContact OD2-N 2.88Å; F171-S173 PolarHBondContact O-N 3.06Å; F171-S173 VanDerWaalsContact O-N 3.17Å; F171-V186 HydrophobicContact CB-CG1 4.21Å; F171-V186 VanDerWaalsContact O-CB 3.22Å; F171-V186 WeakPolarHBondContact O-CB 3.26Å; F171-V186 WeakPolarHBondContact O-CG2 3.48Å; F171-W234 HydrophobicContact CE2-CB 4.26Å; F171-W234 AromaticContact CE2-CD1 3.49Å; F171-W234 VanDerWaalsContact CE2-CD1 3.49Å; F171-W234 HydrophobicContact CE2-CD2 4.4Å; F171-W234 AromaticContact CE2-CG 3.81Å; F171-W234 HydrophobicContact CE2-CG 3.81Å; F171-W234 AromaticContact CE2-NE1 3.91Å; F171-W234 AromaticContact CZ-CD1 3.58Å; F171-W234 AromaticContact CZ-CD2 3.99Å; F171-W234 HydrophobicContact CZ-CD2 3.99Å; F171-W234 AromaticContact CZ-CE2 3.74Å; F171-W234 AromaticContact CZ-CG 3.87Å; F171-W234 HydrophobicContact CZ-CG 3.87Å; F171-W234 HydrophobicContact CZ-CZ2 4.38Å; F171-W234 AromaticContact CZ-NE1 3.52Å; F171-L238 HydrophobicContact CD2-CD2 4.32Å; F171-L238 HydrophobicContact CE2-CD1 4.07Å; F171-K241 HydrophobicContact CD2-CD 4.38Å; F171-P244 HydrophobicContact CD1-CB 4.2Å; F171-P244 HydrophobicContact CD1-CG 3.9Å; F171-P244 HydrophobicContact CE1-CG 3.74Å; F171-P244 HydrophobicContact CG-CB 4.49Å; F171-P244 HydrophobicContact CG-CG 4.42Å; F171-P244 HydrophobicContact CZ-CG 4.11Å; F171-P268 WeakPolarHBondContact CD1-O 3.48Å; F171-W285 HydrophobicContact CD1-CE3 4.43Å; F171-W285 HydrophobicContact CD1-CZ3 4.08Å; F171-W285 AromaticContact CE1-CE3 3.75Å; F171-W285 HydrophobicContact CE1-CE3 3.75Å; F171-W285 AromaticContact CE1-CZ3 3.83Å; F171-W285 HydrophobicContact CE1-CZ3 3.83Å; F171-L294 HydrophobicContact CE1-CD1 3.99Å; F171-L294 HydrophobicContact CE2-CD1 4.04Å; F171-L294 HydrophobicContact CZ-CD1 3.41Å; F171-L294 VanDerWaalsContact CZ-CD1 3.41Å
172	G	86.5	Confident	85	Confident	5 Å²	5	36.6 Å²	36.6	5%	0.052	20%	0.203	C	C	.	.			trans	-54.7	121.4	-177.8	0	0	0	0	0	111.4	Y162 D164	Y162-G172 VanDerWaalsContact O-CA 3.24Å; Y162-G172 WeakPolarHBondContact O-CA 3.31Å; D164-G172 VanDerWaalsContact CG-N 3.32Å; D164-G172 PolarHBondContact OD2-N 2.88Å
173	S	90.3	Very high	85.2	Confident	12 Å²	12	36.2 Å²	36.2	8%	0.084	20%	0.202	C	C	.	.			trans	-152.7	139.4	-176.8	-171.7	0	0	0	0	110.5	F171 V175 Y185 A271	F171-S173 PolarHBondContact O-N 3.06Å; F171-S173 VanDerWaalsContact O-N 3.17Å; S173-V175 WeakPolarHBondContact OG-CG2 3.23Å; S173-Y185 WeakPolarHBondContact O-CA 3.26Å; S173-Y185 WeakPolarHBondContact O-CB 3.28Å; S173-A271 PolarHBondContact OG-O 2.95Å
174	L	94.4	Very high	85.7	Confident	13 Å²	13	32.7 Å²	32.7	7%	0.068	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	103.1	170.2	-179.3	65.9	0	0	0	107.8	L112 K114 A123 V125 L138 L183 L184	L112-L174 HydrophobicContact CB-CB 4.16Å; L112-L174 HydrophobicContact CB-CD2 4.03Å; L112-L174 HydrophobicContact CD1-CB 4.23Å; K114-L174 HydrophobicContact CB-CD2 4.27Å; K114-L174 HydrophobicContact CB-CG 4.28Å; K114-L174 WeakPolarHBondContact CB-O 3.16Å; A123-L174 HydrophobicContact CB-CD1 4.35Å; A123-L174 HydrophobicContact CB-CD2 3.99Å; A123-L174 HydrophobicContact CB-CG 4.33Å; V125-L174 HydrophobicContact CG2-CD1 4.24Å; V125-L174 HydrophobicContact CG2-CD2 4.28Å; L138-L174 HydrophobicContact CD1-CD1 4.19Å; L174-L183 HydrophobicContact CD1-CD2 4.06Å; L174-L184 CarbonylContact C-O 3.56Å; L174-L184 WeakPolarHBondContact CA-O 3.32Å
175	V	95.3	Very high	86.9	Confident	40 Å²	40	32.2 Å²	32.2	24%	0.242	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	125.2	-168.6	-171.7	0	0	0	0	110.8	S173 L184 F272 W273	S173-V175 WeakPolarHBondContact OG-CG2 3.23Å; V175-L184 PolarHBondContact N-O 2.78Å; V175-L184 PolarHBondContact O-N 2.86Å; V175-F272 HydrophobicContact CG1-CB 4.36Å; V175-W273 PolarHBondContact O-NE1 3.47Å; V175-W273 VanDerWaalsContact O-NE1 3.1Å
176	W	96.3	Very high	89	Confident	13 Å²	13	29.7 Å²	29.7	5%	0.049	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	141.7	173.1	-71.2	92.1	0	0	0	111.5	K114 P117 M121 A123 I140 E180 L183 I251	K114-W176 PolarHBondContact O-NE1 3.49Å; P117-W176 HydrophobicContact CG-CB 4.26Å; M121-W176 HydrophobicContact CB-CH2 3.67Å; M121-W176 HydrophobicContact CB-CZ2 3.97Å; M121-W176 HydrophobicContact CB-CZ3 4.43Å; M121-W176 HydrophobicContact CE-CH2 4Å; M121-W176 HydrophobicContact CE-CZ3 3.66Å; M121-W176 HydrophobicContact SD-CH2 4.12Å; M121-W176 HydrophobicContact SD-CZ3 4.31Å; A123-W176 HydrophobicContact CB-CZ2 3.56Å; I140-W176 HydrophobicContact CG2-CH2 3.97Å; W176-E180 HydrophobicContact CE3-CB 4.25Å; W176-E180 HydrophobicContact CZ3-CB 4.47Å; W176-L183 HydrophobicContact CB-CD2 4.47Å; W176-L183 HydrophobicContact CD2-CD2 3.6Å; W176-L183 HydrophobicContact CD2-CG 4.14Å; W176-L183 HydrophobicContact CE3-CD2 4.08Å; W176-L183 HydrophobicContact CE3-CG 4.1Å; W176-L183 HydrophobicContact CG-CD2 3.77Å; W176-L183 HydrophobicContact CH2-CD1 4.27Å; W176-L183 HydrophobicContact CZ2-CD1 4.34Å; W176-L183 HydrophobicContact CZ2-CD2 4.36Å; W176-L183 HydrophobicContact CZ3-CD1 4.41Å; W176-L183 HydrophobicContact CZ3-CG 4.37Å; W176-I251 HydrophobicContact CE3-CD1 3.93Å; W176-I251 HydrophobicContact CH2-CD1 4.06Å; W176-I251 HydrophobicContact CZ3-CD1 3.29Å
177	S	96.6	Very high	91	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.135	C	C	.	.			trans	-64.2	156.2	164.6	71.4	0	0	0	0	110.3	S179 E180 T181 H182 W273	S177-S179 PolarHBondContact O-N 3.39Å; S177-S179 PolarHBondContact OG-OG 2.85Å; S177-S179 VanDerWaalsContact OG-OG 3.12Å; S177-E180 PolarHBondContact O-N 2.89Å; S177-E180 PolarHBondContact OG-N 2.78Å; S177-T181 PolarHBondContact OG-N 3.14Å; S177-H182 PolarHBondContact N-O 3.16Å; S177-H182 PolarHBondContact OG-N 3.35Å; S177-H182 VanDerWaalsContact OG-N 3.09Å; S177-H182 PolarHBondContact OG-O 2.94Å; S177-W273 VanDerWaalsContact CA-CD1 3.42Å; S177-W273 VanDerWaalsContact N-NE1 3.2Å
178	H	94.1	Very high	92.8	Very high	66 Å²	66	21.7 Å²	21.7	31%	0.306	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-32.4	-179.9	-56.3	90.5	0	0	0	111.5	E180 W273 A274 D277 Q334	H178-E180 VanDerWaalsContact C-N 3.29Å; H178-W273 PolarHBondContact CE1-O 3.49Å; H178-A274 PolarHBondContact CE1-O 2.56Å; H178-D277 WeakPolarHBondContact CB-OD1 3.4Å; H178-D277 IonicContact CE1-OD1 2.96Å; H178-D277 IonicContact CG-OD1 2.77Å; H178-D277 PolarHBondContact N-OD1 3.35Å; H178-D277 PolarHBondContact N-OD2 3.48Å; H178-D277 IonicContact ND1-OD1 3.65Å; H178-D277 PolarHBondContact ND1-OD1 3.11Å; H178-Q334 PolarHBondContact CD2-NE2 3.49Å
179	S	94.4	Very high	94	Very high	63 Å²	63	26.3 Å²	26.3	44%	0.441	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-7.8	173.1	54.6	0	0	0	0	114.6	S177 T181 D277	S177-S179 PolarHBondContact O-N 3.39Å; S177-S179 PolarHBondContact OG-OG 2.85Å; S177-S179 VanDerWaalsContact OG-OG 3.12Å; S179-T181 PolarHBondContact O-N 3.42Å; S179-T181 VanDerWaalsContact O-N 3.15Å; S179-T181 PolarHBondContact OG-OG1 2.9Å; S179-D277 WeakPolarHBondContact CB-OD2 3.23Å; S179-D277 PolarHBondContact N-OD2 2.82Å; S179-D277 PolarHBondContact OG-OD2 2.83Å
180	E	95.6	Very high	94.6	Very high	37 Å²	37	27.8 Å²	27.8	17%	0.173	14%	0.141	C	C	.	.	S	Bend	trans	58.9	19.9	-176.9	-38.3	-165.7	137.4	0	0	115.2	S116 P117 S118 M121 W176 S177 H178	S116-E180 WeakPolarHBondContact CB-OE1 3.31Å; S116-E180 PolarHBondContact OG-OE1 2.89Å; P117-E180 WeakPolarHBondContact CD-OE1 3.43Å; P117-E180 HydrophobicContact CG-CG 4.27Å; S118-E180 WeakPolarHBondContact CB-OE1 3.23Å; S118-E180 PolarHBondContact N-OE1 3.24Å; S118-E180 VanDerWaalsContact OG-CD 3.22Å; S118-E180 PolarHBondContact OG-OE1 2.83Å; S118-E180 PolarHBondContact OG-OE2 2.78Å; M121-E180 HydrophobicContact CE-CB 3.67Å; W176-E180 HydrophobicContact CE3-CB 4.25Å; W176-E180 HydrophobicContact CZ3-CB 4.47Å; S177-E180 PolarHBondContact O-N 2.89Å; S177-E180 PolarHBondContact OG-N 2.78Å; H178-E180 VanDerWaalsContact C-N 3.29Å
181	T	95.2	Very high	94.4	Very high	37 Å²	37	31.3 Å²	31.3	23%	0.227	15%	0.154	C	C	.	.	S	Bend	trans	-92.3	-19.1	178.3	55.1	0	0	0	0	112.7	S177 S179 I251	S177-T181 PolarHBondContact OG-N 3.14Å; S179-T181 PolarHBondContact O-N 3.42Å; S179-T181 VanDerWaalsContact O-N 3.15Å; S179-T181 PolarHBondContact OG-OG1 2.9Å; T181-I251 VanDerWaalsContact O-CB 3.24Å; T181-I251 WeakPolarHBondContact O-CB 3.4Å; T181-I251 WeakPolarHBondContact O-CG1 3.38Å; T181-I251 PolarHBondContact O-N 3.37Å
182	H	96.4	Very high	94.1	Very high	57 Å²	57	34.8 Å²	34.8	26%	0.264	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	154.9	-175.9	-65.2	75.5	0	0	0	112.2	S177 V248 L249 W273	S177-H182 PolarHBondContact N-O 3.16Å; S177-H182 PolarHBondContact OG-N 3.35Å; S177-H182 VanDerWaalsContact OG-N 3.09Å; S177-H182 PolarHBondContact OG-O 2.94Å; H182-V248 HydrophobicContact CB-CG1 4.22Å; H182-L249 CarbonylContact C-O 3.52Å; H182-L249 VanDerWaalsContact CA-O 3.22Å; H182-L249 WeakPolarHBondContact CA-O 3.39Å; H182-W273 HydrophobicContact CB-CH2 3.54Å; H182-W273 HydrophobicContact CB-CZ2 3.47Å; H182-W273 VanDerWaalsContact CB-CZ2 3.47Å
183	L	97.4	Very high	94	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	130.5	173.2	-85.7	162	0	0	0	110.3	A123 I140 L174 W176 V248 L249 I251	A123-L183 HydrophobicContact CB-CD1 3.68Å; A123-L183 HydrophobicContact CB-CD2 3.7Å; A123-L183 HydrophobicContact CB-CG 4.36Å; I140-L183 HydrophobicContact CD1-CD1 3.97Å; I140-L183 HydrophobicContact CG1-CD1 4.09Å; L174-L183 HydrophobicContact CD1-CD2 4.06Å; W176-L183 HydrophobicContact CB-CD2 4.47Å; W176-L183 HydrophobicContact CD2-CD2 3.6Å; W176-L183 HydrophobicContact CD2-CG 4.14Å; W176-L183 HydrophobicContact CE3-CD2 4.08Å; W176-L183 HydrophobicContact CE3-CG 4.1Å; W176-L183 HydrophobicContact CG-CD2 3.77Å; W176-L183 HydrophobicContact CH2-CD1 4.27Å; W176-L183 HydrophobicContact CZ2-CD1 4.34Å; W176-L183 HydrophobicContact CZ2-CD2 4.36Å; W176-L183 HydrophobicContact CZ3-CD1 4.41Å; W176-L183 HydrophobicContact CZ3-CG 4.37Å; L183-V248 CarbonylContact O-C 3.55Å; L183-V248 WeakPolarHBondContact O-CA 3.2Å; L183-L249 HydrophobicContact CB-CB 4.17Å; L183-L249 HydrophobicContact CD1-CD2 4.15Å; L183-L249 PolarHBondContact N-O 3.09Å; L183-L249 PolarHBondContact O-N 2.79Å; L183-I251 HydrophobicContact CD1-CD1 4.06Å; L183-I251 HydrophobicContact CD1-CG1 4.39Å; L183-I251 HydrophobicContact CG-CD1 4.1Å
184	L	97.4	Very high	93.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	135.3	175.3	176	68.3	0	0	0	109.6	L174 V175 L246 C247 V248 A271 W273 V280	L174-L184 CarbonylContact C-O 3.56Å; L174-L184 WeakPolarHBondContact CA-O 3.32Å; V175-L184 PolarHBondContact N-O 2.78Å; V175-L184 PolarHBondContact O-N 2.86Å; L184-L246 HydrophobicContact CD1-CB 4.28Å; L184-C247 WeakPolarHBondContact CA-O 3.48Å; L184-V248 HydrophobicContact CD1-CG2 4.11Å; L184-A271 HydrophobicContact CD2-CB 3.82Å; L184-W273 HydrophobicContact CB-CZ2 4Å; L184-V280 HydrophobicContact CD1-CG1 4.26Å; L184-V280 HydrophobicContact CD1-CG2 4.23Å; L184-V280 HydrophobicContact CD2-CG1 3.56Å; L184-V280 HydrophobicContact CD2-CG2 4.16Å
185	Y	97.1	Very high	93.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	168	171.8	62.9	-84.6	0	0	0	111.5	L138 L152 H158 V161 S173 A187 C247 V256	L138-Y185 HydrophobicContact CD2-CD1 4.39Å; L138-Y185 HydrophobicContact CD2-CE1 4.12Å; L152-Y185 HydrophobicContact CD1-CE2 4.45Å; H158-Y185 AromaticContact CE1-CE2 3.79Å; H158-Y185 AromaticContact NE2-CE2 3.49Å; H158-Y185 WeakPolarHBondContact NE2-CE2 3.41Å; H158-Y185 AromaticContact NE2-CZ 3.57Å; H158-Y185 PolarHBondContact NE2-OH 2.84Å; V161-Y185 HydrophobicContact CG1-CD2 4.07Å; V161-Y185 HydrophobicContact CG2-CD2 3.94Å; V161-Y185 HydrophobicContact CG2-CE2 3.84Å; S173-Y185 WeakPolarHBondContact O-CA 3.26Å; S173-Y185 WeakPolarHBondContact O-CB 3.28Å; Y185-A187 HydrophobicContact CE2-CB 4.33Å; Y185-C247 HydrophobicContact CD1-CB 4.17Å; Y185-C247 HydrophobicContact CD2-CB 3.84Å; Y185-C247 HydrophobicContact CE1-CB 3.75Å; Y185-C247 HydrophobicContact CE2-CB 3.38Å; Y185-C247 HydrophobicContact CG-CB 4.21Å; Y185-C247 PolarHBondContact N-O 3.03Å; Y185-C247 PolarHBondContact O-N 2.88Å; Y185-V256 WeakPolarHBondContact OH-CG1 3.22Å
186	V	96.9	Very high	92.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136.6	178.4	-172.2	0	0	0	0	110.5	Y162 F171 P244 V245 L246	Y162-V186 HydrophobicContact CD2-CG1 3.8Å; Y162-V186 HydrophobicContact CE2-CG1 4.36Å; Y162-V186 PolarHBondContact N-O 2.86Å; F171-V186 HydrophobicContact CB-CG1 4.21Å; F171-V186 VanDerWaalsContact O-CB 3.22Å; F171-V186 WeakPolarHBondContact O-CB 3.26Å; F171-V186 WeakPolarHBondContact O-CG2 3.48Å; V186-P244 HydrophobicContact CG1-CB 3.64Å; V186-V245 WeakPolarHBondContact CA-O 3.49Å; V186-L246 HydrophobicContact CG2-CD2 3.89Å
187	A	96.9	Very high	92.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	165.3	177	0	0	0	0	0	111.4	H158 K160 V161 Y185 P244 V245	H158-A187 HydrophobicContact CB-CB 3.94Å; H158-A187 VanDerWaalsContact ND1-CB 3.34Å; H158-A187 WeakPolarHBondContact ND1-CB 3.11Å; K160-A187 WeakPolarHBondContact O-CA 3.3Å; V161-A187 HydrophobicContact CG2-CB 4.47Å; Y185-A187 HydrophobicContact CE2-CB 4.33Å; A187-P244 CarbonylContact O-C 3.59Å; A187-P244 WeakPolarHBondContact O-CA 3.46Å; A187-V245 PolarHBondContact N-O 2.82Å; A187-V245 VanDerWaalsContact N-O 3.1Å; A187-V245 WeakPolarHBondContact O-CG2 2.82Å; A187-V245 PolarHBondContact O-N 3.44Å
188	E	95.9	Very high	91.9	Very high	18 Å²	18	57.5 Å²	57.5	8%	0.084	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	138.8	170.6	175.7	60.1	177.9	0	0	110.7	G159 K160 Y162 K190 R191 S242 C243	G159-E188 WeakPolarHBondContact CA-O 3.36Å; G159-E188 PolarHBondContact N-O 3.33Å; K160-E188 PolarHBondContact O-N 3.25Å; Y162-E188 HydrophobicContact CE1-CB 3.72Å; Y162-E188 PolarHBondContact OH-OE2 2.9Å; E188-K190 PolarHBondContact O-N 3.47Å; E188-R191 IonicContact OE1-CZ 3.99Å; E188-R191 IonicContact OE1-NE 2.97Å; E188-R191 PolarHBondContact OE1-NE 3.34Å; E188-R191 IonicContact OE1-NH2 3.33Å; E188-R191 PolarHBondContact OE1-NH2 3.18Å; E188-S242 PolarHBondContact OE2-N 2.69Å; E188-C243 VanDerWaalsContact OE2-C 3.27Å; E188-C243 WeakPolarHBondContact OE2-CA 3.45Å; E188-C243 PolarHBondContact OE2-N 3.32Å
189	K	94.9	Very high	91.1	Very high	99 Å²	99	59.6 Å²	59.6	43%	0.43	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-59.5	130.8	172.8	-168	168.9	-177.1	173.5	0	108.9	R191 C243 V245 D264	K189-R191 PolarHBondContact O-N 2.91Å; K189-C243 HydrophobicContact CB-CB 3.76Å; K189-C243 VanDerWaalsContact CB-O 3.23Å; K189-C243 WeakPolarHBondContact CB-O 3.38Å; K189-C243 HydrophobicContact CD-CB 4.42Å; K189-C243 PolarHBondContact N-O 3.29Å; K189-V245 HydrophobicContact CB-CG1 3.73Å; K189-V245 HydrophobicContact CD-CG1 4.16Å; K189-V245 HydrophobicContact CG-CG1 3.89Å; K189-D264 IonicContact NZ-OD1 2.99Å; K189-D264 PolarHBondContact NZ-OD1 2.92Å
190	K	92.4	Very high	89.9	Confident	111 Å²	111	62.6 Å²	62.6	48%	0.483	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-61.9	130.4	174.1	-178.9	176	177.4	-168.3	0	109.4	K156 E188	K156-K190 WeakPolarHBondContact O-CD 3.38Å; K156-K190 WeakPolarHBondContact O-CE 3.46Å; K156-K190 PolarHBondContact O-NZ 2.58Å; E188-K190 PolarHBondContact O-N 3.47Å
191	R	86.4	Confident	88.3	Confident	87 Å²	87	66.4 Å²	66.4	33%	0.328	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-99.1	152.2	174.7	-59.4	-175.9	-167.9	-176.1	1.8	110.6	E188 K189 Y231 S242	E188-R191 IonicContact OE1-CZ 3.99Å; E188-R191 IonicContact OE1-NE 2.97Å; E188-R191 PolarHBondContact OE1-NE 3.34Å; E188-R191 IonicContact OE1-NH2 3.33Å; E188-R191 PolarHBondContact OE1-NH2 3.18Å; K189-R191 PolarHBondContact O-N 2.91Å; R191-Y231 VanDerWaalsContact NH1-CD2 3.33Å; R191-S242 PolarHBondContact NH2-OG 2.86Å
192	P	85.9	Confident	86.2	Confident	72 Å²	72	72.2 Å²	72.2	47%	0.468	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-54.3	146.7	167.2	-23.9	34.7	0	0	0	111.1	T194 D221 V223	P192-T194 PolarHBondContact O-N 3.36Å; P192-D221 WeakPolarHBondContact CB-O 3.41Å; P192-V223 HydrophobicContact CB-CG2 3.77Å; P192-V223 HydrophobicContact CG-CG2 4.4Å
193	E	84.3	Confident	83.8	Confident	105 Å²	105	74.9 Å²	74.9	49%	0.491	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	129.9	175	-71.7	-178.8	-177.2	0	0	109	D221 T222 V223	E193-D221 PolarHBondContact N-O 3.27Å; E193-T222 CarbonylContact O-C 3.59Å; E193-T222 WeakPolarHBondContact O-CA 3.46Å; E193-T222 WeakPolarHBondContact O-CG2 3.22Å; E193-V223 PolarHBondContact O-N 2.81Å
194	T	85.8	Confident	81.2	Confident	56 Å²	56	82.6 Å²	82.6	34%	0.344	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	139.2	178.3	61.5	0	0	0	0	111.1	P192 V223 E226	P192-T194 PolarHBondContact O-N 3.36Å; T194-V223 CarbonylContact C-O 3.57Å; T194-V223 VanDerWaalsContact CA-O 3.3Å; T194-V223 WeakPolarHBondContact CA-O 3.25Å; T194-E226 HydrophobicContact CG2-CB 3.87Å
195	K	85.4	Confident	78.3	Confident	43 Å²	43	90.8 Å²	90.8	19%	0.187	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	151.8	172.1	-72.1	-175.2	-163.3	171.1	0	112	E201 T222 V223 K224 G225	K195-E201 IonicContact NZ-OE1 2.72Å; K195-E201 PolarHBondContact NZ-OE1 3.31Å; K195-T222 HydrophobicContact CB-CG2 3.99Å; K195-T222 HydrophobicContact CD-CG2 3.52Å; K195-T222 VanDerWaalsContact CE-CG2 3.49Å; K195-T222 HydrophobicContact CG-CG2 3.45Å; K195-T222 VanDerWaalsContact CG-CG2 3.45Å; K195-V223 PolarHBondContact N-O 2.85Å; K195-K224 WeakPolarHBondContact O-CA 3.3Å; K195-G225 PolarHBondContact O-N 3.44Å
196	S	85.9	Confident	75.5	Confident	33 Å²	33	95.3 Å²	95.3	23%	0.231	49%	0.485	C	S	.	.			trans	-64.8	149.4	168.1	173.2	0	0	0	0	110.8	F198 Q199	S196-F198 PolarHBondContact O-N 3.27Å; S196-F198 VanDerWaalsContact O-N 3.15Å; S196-F198 PolarHBondContact OG-N 3.06Å; S196-F198 VanDerWaalsContact OG-N 3.17Å; S196-Q199 PolarHBondContact O-N 3.24Å
197	F	85.1	Confident	72.4	Confident	143 Å²	143	100.9 Å²	100.9	63%	0.627	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.4	170.1	-74.2	-67.4	0	0	0	113.1	K224 G225	F197-K224 HydrophobicContact CD1-CB 4.26Å; F197-K224 HydrophobicContact CE1-CB 4.25Å; F197-G225 VanDerWaalsContact CZ-CA 3.47Å
198	F	86.2	Confident	69.7	Low	181 Å²	181	108.1 Å²	108.1	79%	0.794	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	2.4	-174.7	-52.8	-72.5	0	0	0	113.8	S196 T200	S196-F198 PolarHBondContact O-N 3.27Å; S196-F198 VanDerWaalsContact O-N 3.15Å; S196-F198 PolarHBondContact OG-N 3.06Å; S196-F198 VanDerWaalsContact OG-N 3.17Å; F198-T200 PolarHBondContact O-N 3.01Å
199	Q	77.8	Confident	66.8	Low	110 Å²	110	115.4 Å²	115.4	51%	0.514	60%	0.595	S	S	.	*			trans	-77.2	105.3	176.7	-166.1	171.4	7.7	0	0	109.1	S196 E201	S196-Q199 PolarHBondContact O-N 3.24Å; Q199-E201 PolarHBondContact O-N 2.84Å
200	T	69.2	Low	63.9	Low	125 Å²	125	118.2 Å²	118.2	77%	0.767	62%	0.615	S	S	*	*			trans	-67.1	125.8	176	-44.2	0	0	0	0	109.3	F198 L202	F198-T200 PolarHBondContact O-N 3.01Å; T200-L202 PolarHBondContact O-N 3.42Å; T200-L202 VanDerWaalsContact O-N 3.16Å
201	E	61.4	Low	61.2	Low	118 Å²	118	122.2 Å²	122.2	55%	0.551	64%	0.635	S	S	*	*			trans	-70.8	110.3	169.7	-64.6	-170.6	152.6	0	0	107.6	K195 Q199	K195-E201 IonicContact NZ-OE1 2.72Å; K195-E201 PolarHBondContact NZ-OE1 3.31Å; Q199-E201 PolarHBondContact O-N 2.84Å
202	L	51.9	Low	58.7	Low	159 Å²	159	127.5 Å²	127.5	83%	0.832	66%	0.664	S	S	*	*			trans	-61.6	130	165.2	-77.9	160.7	0	0	0	107	T200 E204	T200-L202 PolarHBondContact O-N 3.42Å; T200-L202 VanDerWaalsContact O-N 3.16Å; L202-E204 PolarHBondContact O-N 3.34Å
203	P	46.2	Very low	56.2	Low	113 Å²	113	132.5 Å²	132.5	73%	0.734	68%	0.681	S	S	*	*			trans	-56	125.6	170	-18.8	30.1	0	0	0	108	L205	P203-L205 PolarHBondContact O-N 2.78Å
204	E	43.2	Very low	53.7	Low	161 Å²	161	133.9 Å²	133.9	75%	0.752	70%	0.696	S	S	*	*			trans	-55.6	113.7	169.9	-72.5	-177.3	172.1	0	0	106.9	L202 S206 K220	L202-E204 PolarHBondContact O-N 3.34Å; E204-S206 PolarHBondContact O-N 3.44Å; E204-K220 IonicContact OE1-NZ 3.54Å
205	L	36.4	Very low	50.9	Low	172 Å²	172	140 Å²	140	90%	0.901	72%	0.723	S	S	*	*			trans	-64.6	93.3	164.5	-102.6	123.9	0	0	0	105.7	P203 S207	P203-L205 PolarHBondContact O-N 2.78Å; L205-S207 PolarHBondContact O-N 3.39Å; L205-S207 VanDerWaalsContact O-N 3.11Å
206	S	36.8	Very low	48.4	Very low	96 Å²	96	149.6 Å²	149.6	67%	0.671	76%	0.759	S	S	*	*			trans	-56.5	116	165.1	47.1	0	0	0	0	107.1	E204 I208	E204-S206 PolarHBondContact O-N 3.44Å; S206-I208 PolarHBondContact O-N 2.83Å; S206-I208 VanDerWaalsContact O-N 3.11Å
207	S	33.2	Very low	46	Very low	116 Å²	116	154.6 Å²	154.6	81%	0.811	79%	0.787	S	S	*	*			trans	-62	113.3	156	10.1	0	0	0	0	104.8	L205 E209	L205-S207 PolarHBondContact O-N 3.39Å; L205-S207 VanDerWaalsContact O-N 3.11Å; S207-E209 PolarHBondContact O-N 3.24Å; S207-E209 VanDerWaalsContact O-N 3.12Å
208	I	39.6	Very low	43.7	Very low	152 Å²	152	156.3 Å²	156.3	78%	0.779	80%	0.797	S	S	*	*			trans	-61.7	108.7	166.5	-62.9	166.5	0	0	0	105.3	S206	S206-I208 PolarHBondContact O-N 2.83Å; S206-I208 VanDerWaalsContact O-N 3.11Å
209	E	35	Very low	41.7	Very low	171 Å²	171	156.6 Å²	156.6	80%	0.799	80%	0.798	S	S	*	*			trans	-174.4	130.9	135.8	-97.6	161.4	-158.9	0	0	110.3	S207	S207-E209 PolarHBondContact O-N 3.24Å; S207-E209 VanDerWaalsContact O-N 3.12Å
210	D	33.1	Very low	40.6	Very low	158 Å²	158	158.2 Å²	158.2	85%	0.845	80%	0.804	S	S	*	*			trans	81.8	93.7	165.8	-55.6	-20	0	0	0	119.9
211	E	37.2	Very low	40.3	Very low	196 Å²	196	158.5 Å²	158.5	92%	0.916	80%	0.8	S	S	*	*			trans	-70.2	120.4	154.3	-67.1	179.7	155.2	0	0	110.1
212	E	33.3	Very low	41	Very low	197 Å²	197	154.6 Å²	154.6	92%	0.921	78%	0.784	S	S	*	*			trans	-159.9	153.9	133.6	-111.5	-179.9	-164.4	0	0	111.6
213	E	32.7	Very low	42.6	Very low	177 Å²	177	149.2 Å²	149.2	83%	0.827	76%	0.758	S	S	*	*			trans	-71.6	155.3	-144	-76.3	174.5	132.6	0	0	119.5
214	T	32.5	Very low	44.6	Very low	134 Å²	134	149 Å²	149	82%	0.822	75%	0.746	S	S	*	*			trans	81.8	78.6	155.3	63.2	0	0	0	0	119.6
215	M	28	Very low	46.6	Very low	184 Å²	184	142.8 Å²	142.8	91%	0.906	73%	0.725	S	S	*	*			trans	-133.6	128.4	138.9	-74.5	-144.2	-173.2	0	0	110.6	V217	M215-V217 PolarHBondContact O-N 3.27Å
216	R	32.9	Very low	49.1	Very low	246 Å²	246	138.2 Å²	138.2	93%	0.928	70%	0.699	S	S	*	*			trans	-54.9	113.5	166.9	-72.5	174.9	174.7	177.6	-1.7	107.4	E218	R216-E218 PolarHBondContact O-N 3.32Å
217	V	34.8	Very low	51.5	Low	137 Å²	137	138.1 Å²	138.1	83%	0.83	69%	0.688	S	S	*	*			trans	-58.9	104.1	169.3	179.3	0	0	0	0	106.8	M215 K219	M215-V217 PolarHBondContact O-N 3.27Å; V217-K219 PolarHBondContact O-N 2.7Å
218	E	36.4	Very low	54.3	Low	180 Å²	180	141.2 Å²	141.2	84%	0.841	69%	0.687	S	S	*	*			trans	-54.6	110.7	166.8	-75.7	-174.3	162.5	0	0	106.7	R216 K220	R216-E218 PolarHBondContact O-N 3.32Å; E218-K220 PolarHBondContact O-N 3.28Å
219	K	43.4	Very low	56.7	Low	187 Å²	187	137.1 Å²	137.1	81%	0.813	67%	0.669	S	S	*	*			trans	-55.2	115.5	169.6	-85.6	-180	173.9	177.4	0	106.5	V217 D221	V217-K219 PolarHBondContact O-N 2.7Å; K219-D221 PolarHBondContact O-N 3.25Å
220	K	55.6	Low	59.4	Low	144 Å²	144	137.6 Å²	137.6	63%	0.626	67%	0.665	S	S	*	*			trans	-57.1	108.5	168.7	-76.5	175.5	-179.7	162.7	0	106.9	E204 E218 T222	E204-K220 IonicContact OE1-NZ 3.54Å; E218-K220 PolarHBondContact O-N 3.28Å; K220-T222 PolarHBondContact O-N 2.8Å
221	D	62.3	Low	62	Low	130 Å²	130	134.6 Å²	134.6	70%	0.695	64%	0.642	S	S	*	*			trans	-65.9	80	171.4	-75.3	-31.4	0	0	0	108.5	P192 E193 K219	P192-D221 WeakPolarHBondContact CB-O 3.41Å; E193-D221 PolarHBondContact N-O 3.27Å; K219-D221 PolarHBondContact O-N 3.25Å
222	T	76.9	Confident	64.7	Low	36 Å²	36	128 Å²	128	22%	0.221	61%	0.612	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.8	123.7	175.4	-55.2	0	0	0	0	108.5	E193 K195 K220	E193-T222 CarbonylContact O-C 3.59Å; E193-T222 WeakPolarHBondContact O-CA 3.46Å; E193-T222 WeakPolarHBondContact O-CG2 3.22Å; K195-T222 HydrophobicContact CB-CG2 3.99Å; K195-T222 HydrophobicContact CD-CG2 3.52Å; K195-T222 VanDerWaalsContact CE-CG2 3.49Å; K195-T222 HydrophobicContact CG-CG2 3.45Å; K195-T222 VanDerWaalsContact CG-CG2 3.45Å; K220-T222 PolarHBondContact O-N 2.8Å
223	V	85.7	Confident	67.6	Low	46 Å²	46	120.5 Å²	120.5	28%	0.279	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.7	122.1	178.3	-167	0	0	0	0	109.9	P192 E193 T194 K195 E226	P192-V223 HydrophobicContact CB-CG2 3.77Å; P192-V223 HydrophobicContact CG-CG2 4.4Å; E193-V223 PolarHBondContact O-N 2.81Å; T194-V223 CarbonylContact C-O 3.57Å; T194-V223 VanDerWaalsContact CA-O 3.3Å; T194-V223 WeakPolarHBondContact CA-O 3.25Å; K195-V223 PolarHBondContact N-O 2.85Å; V223-E226 HydrophobicContact CG1-CB 4.39Å; V223-E226 HydrophobicContact CG1-CG 3.76Å; V223-E226 WeakPolarHBondContact CG1-OE2 3.46Å
224	K	87.1	Confident	70.6	Confident	109 Å²	109	112.2 Å²	112.2	47%	0.474	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	136.4	178.2	-72	-173	-179.9	-177.8	0	110.6	K195 F197	K195-K224 WeakPolarHBondContact O-CA 3.3Å; F197-K224 HydrophobicContact CD1-CB 4.26Å; F197-K224 HydrophobicContact CE1-CB 4.25Å
225	G	85.9	Confident	73.5	Confident	31 Å²	31	106 Å²	106	32%	0.32	50%	0.502	S	S	.	.	S	Bend	trans	92.4	-6.3	173.6	0	0	0	0	0	115.6	K195 F197	K195-G225 PolarHBondContact O-N 3.44Å; F197-G225 VanDerWaalsContact CZ-CA 3.47Å
226	E	88.9	Confident	76.7	Confident	76 Å²	76	97.8 Å²	97.8	36%	0.355	46%	0.461	S	S	.	.			trans	-94.8	7.4	-176.5	-67.4	-170.8	174.4	0	0	114.5	T194 V223 F228 V229	T194-E226 HydrophobicContact CG2-CB 3.87Å; V223-E226 HydrophobicContact CG1-CB 4.39Å; V223-E226 HydrophobicContact CG1-CG 3.76Å; V223-E226 WeakPolarHBondContact CG1-OE2 3.46Å; E226-F228 PolarHBondContact O-N 3.28Å; E226-V229 HydrophobicContact CB-CG2 3.84Å; E226-V229 HydrophobicContact CG-CG2 4.01Å; E226-V229 PolarHBondContact O-N 2.93Å; E226-V229 VanDerWaalsContact O-N 3.14Å
227	Q	88	Confident	79.5	Confident	94 Å²	94	87.8 Å²	87.8	44%	0.439	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-28.5	-176.9	-178.4	179.3	-7.4	0	0	113.9
228	F	90.5	Very high	82.3	Confident	180 Å²	180	81.4 Å²	81.4	79%	0.789	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	15.6	-176.1	-53.1	-68.3	0	0	0	112.9	E226 Y230	E226-F228 PolarHBondContact O-N 3.28Å; F228-Y230 PolarHBondContact O-N 3.39Å
229	V	90.9	Very high	84.9	Confident	66 Å²	66	76.9 Å²	76.9	40%	0.4	38%	0.377	S	S	.	.			trans	-61.6	132.8	173.4	169.2	0	0	0	0	108.6	E226 Y231	E226-V229 HydrophobicContact CB-CG2 3.84Å; E226-V229 HydrophobicContact CG-CG2 4.01Å; E226-V229 PolarHBondContact O-N 2.93Å; E226-V229 VanDerWaalsContact O-N 3.14Å; V229-Y231 HydrophobicContact CB-CE2 3.82Å; V229-Y231 HydrophobicContact CG1-CD2 4.37Å; V229-Y231 HydrophobicContact CG1-CE1 4.07Å; V229-Y231 HydrophobicContact CG1-CE2 3.88Å; V229-Y231 WeakPolarHBondContact O-CD2 3.43Å; V229-Y231 WeakPolarHBondContact O-CE2 3.26Å; V229-Y231 PolarHBondContact O-N 2.85Å
230	Y	90.9	Very high	87.1	Confident	181 Å²	181	70.6 Å²	70.6	71%	0.71	37%	0.365	S	S	*	.			trans	-71.9	128.6	174.1	175.2	-118.2	0	0	0	109.4	F228 E232	F228-Y230 PolarHBondContact O-N 3.39Å; Y230-E232 HydrophobicContact CD1-CG 4.16Å; Y230-E232 HydrophobicContact CE1-CB 4.46Å; Y230-E232 HydrophobicContact CE1-CG 3.35Å
231	Y	88.9	Confident	89	Confident	95 Å²	95	64.8 Å²	64.8	37%	0.373	34%	0.34	S	S	.	.			trans	-120.2	116.5	174.5	-66	-81.1	0	0	0	108.5	R191 V229	R191-Y231 VanDerWaalsContact NH1-CD2 3.33Å; V229-Y231 HydrophobicContact CB-CE2 3.82Å; V229-Y231 HydrophobicContact CG1-CD2 4.37Å; V229-Y231 HydrophobicContact CG1-CE1 4.07Å; V229-Y231 HydrophobicContact CG1-CE2 3.88Å; V229-Y231 WeakPolarHBondContact O-CD2 3.43Å; V229-Y231 WeakPolarHBondContact O-CE2 3.26Å; V229-Y231 PolarHBondContact O-N 2.85Å
232	E	93	Very high	90.4	Very high	59 Å²	59	58.9 Å²	58.9	28%	0.276	31%	0.308	S	S	.	.			trans	-65	138.6	175.5	-66.1	-178.1	142.6	0	0	110.6	Y230 S242 F290 R291	Y230-E232 HydrophobicContact CD1-CG 4.16Å; Y230-E232 HydrophobicContact CE1-CB 4.46Å; Y230-E232 HydrophobicContact CE1-CG 3.35Å; E232-S242 VanDerWaalsContact O-CB 3.22Å; E232-S242 WeakPolarHBondContact O-CB 3.45Å; E232-S242 PolarHBondContact O-OG 3.18Å; E232-F290 VanDerWaalsContact OE1-CB 3.31Å; E232-F290 WeakPolarHBondContact OE1-CB 3.46Å; E232-R291 IonicContact OE2-NH1 3.51Å
233	D	94.7	Very high	91.2	Very high	38 Å²	38	59 Å²	59	20%	0.203	31%	0.31	C	S	.	.			trans	-114.2	177.3	168.5	63.3	33.4	0	0	0	110.3	G235 V239 G240 K241 R291	D233-G235 PolarHBondContact O-N 2.78Å; D233-G235 WeakPolarHBondContact OD1-CA 3.4Å; D233-G235 PolarHBondContact OD1-N 3.02Å; D233-V239 WeakPolarHBondContact OD2-CA 3.32Å; D233-G240 PolarHBondContact OD2-N 2.59Å; D233-K241 CarbonylContact C-O 3.57Å; D233-K241 VanDerWaalsContact CA-O 3.24Å; D233-K241 WeakPolarHBondContact CA-O 3.28Å; D233-K241 VanDerWaalsContact CB-O 3.29Å; D233-K241 WeakPolarHBondContact CB-O 3.14Å; D233-R291 WeakPolarHBondContact O-CB 3.47Å
234	W	95.1	Very high	91.7	Very high	3 Å²	3	57.1 Å²	57.1	1%	0.011	30%	0.299	C	S	.	.			trans	-83	17	-179.7	-71.9	99.8	0	0	0	113.7	F171 L238 K241 S242 S267 W285 H287 R291 L292 G293 L294	F171-W234 HydrophobicContact CE2-CB 4.26Å; F171-W234 AromaticContact CE2-CD1 3.49Å; F171-W234 VanDerWaalsContact CE2-CD1 3.49Å; F171-W234 HydrophobicContact CE2-CD2 4.4Å; F171-W234 AromaticContact CE2-CG 3.81Å; F171-W234 HydrophobicContact CE2-CG 3.81Å; F171-W234 AromaticContact CE2-NE1 3.91Å; F171-W234 AromaticContact CZ-CD1 3.58Å; F171-W234 AromaticContact CZ-CD2 3.99Å; F171-W234 HydrophobicContact CZ-CD2 3.99Å; F171-W234 AromaticContact CZ-CE2 3.74Å; F171-W234 AromaticContact CZ-CG 3.87Å; F171-W234 HydrophobicContact CZ-CG 3.87Å; F171-W234 HydrophobicContact CZ-CZ2 4.38Å; F171-W234 AromaticContact CZ-NE1 3.52Å; W234-L238 HydrophobicContact CB-CB 3.74Å; W234-L238 HydrophobicContact CB-CD1 3.72Å; W234-L238 HydrophobicContact CB-CG 4.4Å; W234-K241 VanDerWaalsContact CD1-O 3.23Å; W234-K241 PolarHBondContact N-O 3.11Å; W234-S242 PolarHBondContact NE1-O 3.48Å; W234-S267 VanDerWaalsContact CZ2-CB 3.49Å; W234-S267 WeakPolarHBondContact CZ2-OG 3.41Å; W234-W285 HydrophobicContact CH2-CB 3.66Å; W234-W285 HydrophobicContact CZ2-CB 4.22Å; W234-W285 HydrophobicContact CZ3-CB 4.42Å; W234-H287 HydrophobicContact CH2-CB 3.79Å; W234-H287 HydrophobicContact CZ2-CB 3.62Å; W234-R291 HydrophobicContact CD2-CB 4.16Å; W234-R291 HydrophobicContact CD2-CG 4.02Å; W234-R291 HydrophobicContact CE3-CB 3.97Å; W234-R291 HydrophobicContact CE3-CG 4.18Å; W234-R291 HydrophobicContact CH2-CG 4.34Å; W234-R291 HydrophobicContact CZ2-CG 4.13Å; W234-R291 HydrophobicContact CZ3-CB 4.3Å; W234-R291 HydrophobicContact CZ3-CG 4.35Å; W234-L292 VanDerWaalsContact CE3-O 3.28Å; W234-L292 WeakPolarHBondContact CZ3-O 3.22Å; W234-G293 WeakPolarHBondContact O-CA 3.47Å; W234-L294 HydrophobicContact CD2-CD1 3.91Å; W234-L294 HydrophobicContact CD2-CG 4.08Å; W234-L294 HydrophobicContact CE3-CD1 3.71Å; W234-L294 HydrophobicContact CE3-CD2 3.78Å; W234-L294 HydrophobicContact CE3-CG 3.42Å; W234-L294 VanDerWaalsContact CE3-CG 3.42Å; W234-L294 HydrophobicContact CG-CD1 4.4Å; W234-L294 HydrophobicContact CH2-CD2 4.45Å; W234-L294 HydrophobicContact CZ3-CD1 4.02Å; W234-L294 HydrophobicContact CZ3-CD2 3.58Å; W234-L294 HydrophobicContact CZ3-CG 3.77Å
235	G	94.6	Very high	92.2	Very high	5 Å²	5	52.9 Å²	52.9	5%	0.052	28%	0.282	C	S	.	.			trans	77.2	-142.1	170.9	0	0	0	0	0	114.9	D233 A237 L238 V239	D233-G235 PolarHBondContact O-N 2.78Å; D233-G235 WeakPolarHBondContact OD1-CA 3.4Å; D233-G235 PolarHBondContact OD1-N 3.02Å; G235-A237 PolarHBondContact O-N 3.4Å; G235-L238 CarbonylContact O-C 3.49Å; G235-L238 VanDerWaalsContact O-C 3.31Å; G235-L238 PolarHBondContact O-N 3.28Å; G235-V239 PolarHBondContact O-N 2.98Å
236	E	94.6	Very high	92.7	Very high	10 Å²	10	51.4 Å²	51.4	5%	0.047	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	130.2	-169.4	-176.6	62.8	-156.2	0	0	112.3	L238 K295 D646 K698 R699 N728 H729	E236-L238 PolarHBondContact O-N 3.46Å; E236-K295 WeakPolarHBondContact O-CB 3.25Å; E236-D646 VanDerWaalsContact CB-OD2 3.29Å; E236-D646 WeakPolarHBondContact CB-OD2 3.3Å; E236-D646 PolarHBondContact N-OD2 2.82Å; E236-K698 HydrophobicContact CB-CB 4.33Å; E236-K698 PolarHBondContact OE2-N 3.33Å; E236-R699 HydrophobicContact CB-CB 4.09Å; E236-R699 HydrophobicContact CG-CB 3.96Å; E236-N728 WeakPolarHBondContact OE1-CB 3.42Å; E236-H729 HydrophobicContact CG-CB 3.99Å; E236-H729 WeakPolarHBondContact OE1-CB 3.13Å; E236-H729 PolarHBondContact OE1-N 2.84Å
237	A	91.2	Very high	93.1	Very high	36 Å²	36	47.8 Å²	47.8	30%	0.298	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	2.3	-174.4	0	0	0	0	0	116.3	G235 K295	G235-A237 PolarHBondContact O-N 3.4Å; A237-K295 HydrophobicContact CB-CD 4.23Å; A237-K295 HydrophobicContact CB-CG 4.14Å
238	L	93.6	Very high	93.5	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.016	23%	0.233	C	C	.	.			trans	-125.8	26.7	176.5	-58.2	174.4	0	0	0	111.4	Q170 F171 W234 G235 E236 G240 K241 L294	Q170-L238 HydrophobicContact CB-CD1 4.5Å; Q170-L238 HydrophobicContact CG-CD1 4.44Å; F171-L238 HydrophobicContact CD2-CD2 4.32Å; F171-L238 HydrophobicContact CE2-CD1 4.07Å; W234-L238 HydrophobicContact CB-CB 3.74Å; W234-L238 HydrophobicContact CB-CD1 3.72Å; W234-L238 HydrophobicContact CB-CG 4.4Å; G235-L238 CarbonylContact O-C 3.49Å; G235-L238 VanDerWaalsContact O-C 3.31Å; G235-L238 PolarHBondContact O-N 3.28Å; E236-L238 PolarHBondContact O-N 3.46Å; L238-G240 PolarHBondContact O-N 3.37Å; L238-K241 HydrophobicContact CB-CB 4.34Å; L238-K241 HydrophobicContact CB-CD 4.16Å; L238-K241 HydrophobicContact CD2-CD 3.68Å; L238-K241 VanDerWaalsContact O-CB 3.25Å; L238-K241 WeakPolarHBondContact O-CB 3.48Å; L238-K241 PolarHBondContact O-N 2.87Å; L238-L294 HydrophobicContact CD1-CB 3.91Å; L238-L294 HydrophobicContact CD1-CD1 4.34Å; L238-L294 HydrophobicContact CD1-CG 4.43Å
239	V	91.3	Very high	93.8	Very high	86 Å²	86	35.3 Å²	35.3	52%	0.521	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	132.8	178.5	178.8	0	0	0	0	110.3	D233 G235 K241 K698	D233-V239 WeakPolarHBondContact OD2-CA 3.32Å; G235-V239 PolarHBondContact O-N 2.98Å; V239-K241 PolarHBondContact O-N 2.88Å; V239-K698 HydrophobicContact CG2-CG 4.23Å
240	G	90.4	Very high	94	Very high	54 Å²	54	34.4 Å²	34.4	56%	0.557	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.2	0.5	-176.3	0	0	0	0	0	115	D233 L238	D233-G240 PolarHBondContact OD2-N 2.59Å; L238-G240 PolarHBondContact O-N 3.37Å
241	K	93.5	Very high	94.1	Very high	22 Å²	22	26.4 Å²	26.4	10%	0.096	16%	0.158	C	C	.	.			trans	-95.2	117.8	172.1	-54.4	-175.4	178.3	161.9	0	109.1	Y162 E163 D164 F171 D233 W234 L238 V239	Y162-K241 HydrophobicContact CD1-CD 3.87Å; Y162-K241 HydrophobicContact CD1-CG 3.87Å; Y162-K241 HydrophobicContact CD2-CD 4.39Å; Y162-K241 HydrophobicContact CE1-CB 3.79Å; Y162-K241 HydrophobicContact CE1-CD 3.94Å; Y162-K241 HydrophobicContact CE1-CG 3.46Å; Y162-K241 VanDerWaalsContact CE1-CG 3.46Å; Y162-K241 HydrophobicContact CE2-CB 4.16Å; Y162-K241 HydrophobicContact CE2-CD 4.44Å; Y162-K241 HydrophobicContact CE2-CG 4.43Å; Y162-K241 HydrophobicContact CG-CD 4.08Å; Y162-K241 HydrophobicContact CG-CG 4.5Å; Y162-K241 WeakPolarHBondContact OH-CA 3.33Å; Y162-K241 WeakPolarHBondContact OH-CB 3.25Å; E163-K241 PolarHBondContact O-NZ 3.04Å; D164-K241 IonicContact OD1-NZ 3.53Å; D164-K241 PolarHBondContact OD1-NZ 3.19Å; F171-K241 HydrophobicContact CD2-CD 4.38Å; D233-K241 CarbonylContact C-O 3.57Å; D233-K241 VanDerWaalsContact CA-O 3.24Å; D233-K241 WeakPolarHBondContact CA-O 3.28Å; D233-K241 VanDerWaalsContact CB-O 3.29Å; D233-K241 WeakPolarHBondContact CB-O 3.14Å; W234-K241 VanDerWaalsContact CD1-O 3.23Å; W234-K241 PolarHBondContact N-O 3.11Å; L238-K241 HydrophobicContact CB-CB 4.34Å; L238-K241 HydrophobicContact CB-CD 4.16Å; L238-K241 HydrophobicContact CD2-CD 3.68Å; L238-K241 VanDerWaalsContact O-CB 3.25Å; L238-K241 WeakPolarHBondContact O-CB 3.48Å; L238-K241 PolarHBondContact O-N 2.87Å; V239-K241 PolarHBondContact O-N 2.88Å
242	S	93.2	Very high	94.2	Very high	6 Å²	6	29.4 Å²	29.4	4%	0.042	18%	0.175	C	C	.	.			trans	-130.9	-52.1	-169.8	-173.7	0	0	0	0	112.6	Y162 E188 R191 E232 W234 P244 R291	Y162-S242 PolarHBondContact OH-N 2.92Å; Y162-S242 VanDerWaalsContact OH-N 3.13Å; E188-S242 PolarHBondContact OE2-N 2.69Å; R191-S242 PolarHBondContact NH2-OG 2.86Å; E232-S242 VanDerWaalsContact O-CB 3.22Å; E232-S242 WeakPolarHBondContact O-CB 3.45Å; E232-S242 PolarHBondContact O-OG 3.18Å; W234-S242 PolarHBondContact NE1-O 3.48Å; S242-P244 WeakPolarHBondContact O-CD 3.26Å; S242-R291 PolarHBondContact O-NE 2.94Å; S242-R291 PolarHBondContact O-NH2 2.94Å; S242-R291 VanDerWaalsContact O-NH2 3.14Å
243	C	94.1	Very high	94	Very high	38 Å²	38	28.9 Å²	28.9	26%	0.257	19%	0.185	S	C	.	.	S	Bend	trans	-127.1	76.8	-173.6	-67.1	0	0	0	0	109.1	E188 K189	E188-C243 VanDerWaalsContact OE2-C 3.27Å; E188-C243 WeakPolarHBondContact OE2-CA 3.45Å; E188-C243 PolarHBondContact OE2-N 3.32Å; K189-C243 HydrophobicContact CB-CB 3.76Å; K189-C243 VanDerWaalsContact CB-O 3.23Å; K189-C243 WeakPolarHBondContact CB-O 3.38Å; K189-C243 HydrophobicContact CD-CB 4.42Å; K189-C243 PolarHBondContact N-O 3.29Å
244	P	95.9	Very high	93.6	Very high	7 Å²	7	31.4 Å²	31.4	5%	0.045	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	144.8	173.4	13.1	-20.6	0	0	0	111.6	Y162 F171 V186 A187 S242 S267 P268	Y162-P244 HydrophobicContact CD2-CB 4.34Å; Y162-P244 HydrophobicContact CE2-CB 3.7Å; Y162-P244 HydrophobicContact CE2-CG 4.36Å; F171-P244 HydrophobicContact CD1-CB 4.2Å; F171-P244 HydrophobicContact CD1-CG 3.9Å; F171-P244 HydrophobicContact CE1-CG 3.74Å; F171-P244 HydrophobicContact CG-CB 4.49Å; F171-P244 HydrophobicContact CG-CG 4.42Å; F171-P244 HydrophobicContact CZ-CG 4.11Å; V186-P244 HydrophobicContact CG1-CB 3.64Å; A187-P244 CarbonylContact O-C 3.59Å; A187-P244 WeakPolarHBondContact O-CA 3.46Å; S242-P244 WeakPolarHBondContact O-CD 3.26Å; P244-S267 VanDerWaalsContact CG-CB 3.45Å; P244-P268 HydrophobicContact CB-CG 4.27Å; P244-P268 VanDerWaalsContact CB-O 3.26Å; P244-P268 WeakPolarHBondContact CB-O 3.37Å; P244-P268 VanDerWaalsContact O-CD 3.26Å; P244-P268 WeakPolarHBondContact O-CD 3.39Å
245	V	97	Very high	93.5	Very high	20 Å²	20	35.4 Å²	35.4	12%	0.121	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	145.9	168.6	-67.6	0	0	0	0	110.1	H158 V186 A187 K189 V258	H158-V245 HydrophobicContact CB-CG2 4.43Å; V186-V245 WeakPolarHBondContact CA-O 3.49Å; A187-V245 PolarHBondContact N-O 2.82Å; A187-V245 VanDerWaalsContact N-O 3.1Å; A187-V245 WeakPolarHBondContact O-CG2 2.82Å; A187-V245 PolarHBondContact O-N 3.44Å; K189-V245 HydrophobicContact CB-CG1 3.73Å; K189-V245 HydrophobicContact CD-CG1 4.16Å; K189-V245 HydrophobicContact CG-CG1 3.89Å; V245-V258 HydrophobicContact CB-CG1 3.72Å; V245-V258 HydrophobicContact CG1-CG1 4.18Å; V245-V258 HydrophobicContact CG2-CG1 3.89Å; V245-V258 HydrophobicContact CG2-CG2 4.5Å
246	L	97.1	Very high	93.6	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	130.5	173.3	-60.2	176.2	0	0	0	108.8	L184 V186 L259 V262 P268 A271 V280 F282	L184-L246 HydrophobicContact CD1-CB 4.28Å; V186-L246 HydrophobicContact CG2-CD2 3.89Å; L246-L259 HydrophobicContact CB-CB 3.9Å; L246-L259 HydrophobicContact CB-CD2 4.12Å; L246-L259 HydrophobicContact CD1-CD2 3.82Å; L246-L259 PolarHBondContact O-N 3.32Å; L246-V262 HydrophobicContact CD1-CG2 4.08Å; L246-P268 HydrophobicContact CD1-CB 4.16Å; L246-P268 HydrophobicContact CD2-CB 3.92Å; L246-P268 HydrophobicContact CD2-CG 4.27Å; L246-P268 HydrophobicContact CG-CB 3.85Å; L246-P268 HydrophobicContact CG-CG 3.96Å; L246-A271 HydrophobicContact CD2-CB 3.56Å; L246-V280 HydrophobicContact CD1-CG1 4.02Å; L246-F282 HydrophobicContact CD1-CB 4.45Å; L246-F282 HydrophobicContact CD1-CD1 3.76Å; L246-F282 HydrophobicContact CD1-CE1 4.13Å; L246-F282 HydrophobicContact CD1-CG 4.08Å
247	C	97.2	Very high	93.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138.1	178.5	-65.9	0	0	0	0	109.7	H158 L184 Y185 S257	H158-C247 VanDerWaalsContact CD2-SG 3.54Å; L184-C247 WeakPolarHBondContact CA-O 3.48Å; Y185-C247 HydrophobicContact CD1-CB 4.17Å; Y185-C247 HydrophobicContact CD2-CB 3.84Å; Y185-C247 HydrophobicContact CE1-CB 3.75Å; Y185-C247 HydrophobicContact CE2-CB 3.38Å; Y185-C247 HydrophobicContact CG-CB 4.21Å; Y185-C247 PolarHBondContact N-O 3.03Å; Y185-C247 PolarHBondContact O-N 2.88Å; C247-S257 WeakPolarHBondContact CA-O 3.48Å
248	V	96.6	Very high	93.8	Very high	11 Å²	11	38.3 Å²	38.3	7%	0.067	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.2	178.2	179.7	0	0	0	0	108.5	H182 L183 L184 V256 S257 W273	H182-V248 HydrophobicContact CB-CG1 4.22Å; L183-V248 CarbonylContact O-C 3.55Å; L183-V248 WeakPolarHBondContact O-CA 3.2Å; L184-V248 HydrophobicContact CD1-CG2 4.11Å; V248-V256 WeakPolarHBondContact O-CA 3.21Å; V248-S257 PolarHBondContact N-O 3.4Å; V248-S257 PolarHBondContact O-N 3.26Å; V248-W273 HydrophobicContact CG1-CH2 3.85Å; V248-W273 HydrophobicContact CG1-CZ2 4.17Å; V248-W273 HydrophobicContact CG2-CH2 4.32Å
249	L	96.4	Very high	93.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	121.3	164.3	168.4	66.9	0	0	0	108.6	L138 I140 I150 H182 L183 I251 N255 V256	L138-L249 HydrophobicContact CD2-CB 4.15Å; L138-L249 HydrophobicContact CD2-CD2 3.45Å; L138-L249 VanDerWaalsContact CD2-CD2 3.45Å; L138-L249 HydrophobicContact CD2-CG 4.38Å; L138-L249 HydrophobicContact CG-CD2 4.07Å; I140-L249 HydrophobicContact CD1-CD2 4.13Å; I150-L249 HydrophobicContact CD1-CD1 3.35Å; I150-L249 HydrophobicContact CD1-CD2 3.7Å; I150-L249 HydrophobicContact CD1-CG 4.19Å; H182-L249 CarbonylContact C-O 3.52Å; H182-L249 VanDerWaalsContact CA-O 3.22Å; H182-L249 WeakPolarHBondContact CA-O 3.39Å; L183-L249 HydrophobicContact CB-CB 4.17Å; L183-L249 HydrophobicContact CD1-CD2 4.15Å; L183-L249 PolarHBondContact N-O 3.09Å; L183-L249 PolarHBondContact O-N 2.79Å; L249-I251 HydrophobicContact CD2-CG1 4.38Å; L249-I251 HydrophobicContact CG-CG1 4.39Å; L249-N255 WeakPolarHBondContact CA-O 3.4Å; L249-V256 HydrophobicContact CB-CG2 4.35Å; L249-V256 HydrophobicContact CD1-CG2 3.78Å
250	D	95.3	Very high	93.8	Very high	47 Å²	47	43.4 Å²	43.4	25%	0.251	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	114.6	159.6	173.3	1	0	0	0	108.4	E252 G253 D254 N255	D250-E252 PolarHBondContact OD1-N 2.86Å; D250-G253 VanDerWaalsContact CG-N 3.34Å; D250-G253 PolarHBondContact OD1-N 3.19Å; D250-G253 WeakPolarHBondContact OD2-CA 3.35Å; D250-G253 PolarHBondContact OD2-N 2.74Å; D250-D254 WeakPolarHBondContact O-CA 3.17Å; D250-D254 PolarHBondContact O-N 2.74Å; D250-D254 VanDerWaalsContact O-N 3.07Å; D250-N255 PolarHBondContact N-O 3.25Å; D250-N255 PolarHBondContact O-N 3.14Å
251	I	93.7	Very high	93.8	Very high	14 Å²	14	42 Å²	42	7%	0.072	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-37.1	-174.4	-61.1	174.9	0	0	0	110.5	I140 K148 W176 T181 L183 L249	I140-I251 HydrophobicContact CD1-CB 4.23Å; I140-I251 HydrophobicContact CD1-CD1 3.95Å; I140-I251 HydrophobicContact CD1-CG1 3.75Å; I140-I251 HydrophobicContact CD1-CG2 3.61Å; K148-I251 HydrophobicContact CD-CG2 4Å; K148-I251 WeakPolarHBondContact CE-O 3.28Å; K148-I251 PolarHBondContact NZ-O 2.82Å; W176-I251 HydrophobicContact CE3-CD1 3.93Å; W176-I251 HydrophobicContact CH2-CD1 4.06Å; W176-I251 HydrophobicContact CZ3-CD1 3.29Å; T181-I251 VanDerWaalsContact O-CB 3.24Å; T181-I251 WeakPolarHBondContact O-CB 3.4Å; T181-I251 WeakPolarHBondContact O-CG1 3.38Å; T181-I251 PolarHBondContact O-N 3.37Å; L183-I251 HydrophobicContact CD1-CD1 4.06Å; L183-I251 HydrophobicContact CD1-CG1 4.39Å; L183-I251 HydrophobicContact CG-CD1 4.1Å; L249-I251 HydrophobicContact CD2-CG1 4.38Å; L249-I251 HydrophobicContact CG-CG1 4.39Å
252	E	89.9	Confident	93.8	Very high	158 Å²	158	42.4 Å²	42.4	74%	0.738	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-43.7	-178.1	-66.1	-170.9	170.1	0	0	110.8	D250	D250-E252 PolarHBondContact OD1-N 2.86Å
253	G	88.3	Confident	93.8	Very high	48 Å²	48	44.3 Å²	44.3	50%	0.495	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-6.7	-179.3	0	0	0	0	0	115.8	D250 N255	D250-G253 VanDerWaalsContact CG-N 3.34Å; D250-G253 PolarHBondContact OD1-N 3.19Å; D250-G253 WeakPolarHBondContact OD2-CA 3.35Å; D250-G253 PolarHBondContact OD2-N 2.74Å; G253-N255 PolarHBondContact O-N 3.2Å
254	D	86.6	Confident	93.7	Very high	90 Å²	90	48.8 Å²	48.8	48%	0.481	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	33.8	-176	-75.9	-43.4	0	0	0	113.6	K148 D250	K148-D254 WeakPolarHBondContact CD-OD1 3.48Å; K148-D254 IonicContact NZ-OD1 3.71Å; K148-D254 PolarHBondContact NZ-OD1 2.81Å; K148-D254 IonicContact NZ-OD2 2.79Å; K148-D254 PolarHBondContact NZ-OD2 2.82Å; D250-D254 WeakPolarHBondContact O-CA 3.17Å; D250-D254 PolarHBondContact O-N 2.74Å; D250-D254 VanDerWaalsContact O-N 3.07Å
255	N	93.4	Very high	93.5	Very high	87 Å²	87	50.9 Å²	50.9	47%	0.465	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134	-174.7	-177.7	49.7	0	0	0	112	L249 D250 G253	L249-N255 WeakPolarHBondContact CA-O 3.4Å; D250-N255 PolarHBondContact N-O 3.25Å; D250-N255 PolarHBondContact O-N 3.14Å; G253-N255 PolarHBondContact O-N 3.2Å
256	V	95.6	Very high	93.5	Very high	6 Å²	6	50.4 Å²	50.4	4%	0.036	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125.6	174.2	173.8	0	0	0	0	109.4	L152 L155 Y185 V248 L249	L152-V256 HydrophobicContact CD2-CG2 4.25Å; L155-V256 HydrophobicContact CD1-CB 3.87Å; L155-V256 HydrophobicContact CD1-CG2 3.69Å; Y185-V256 WeakPolarHBondContact OH-CG1 3.22Å; V248-V256 WeakPolarHBondContact O-CA 3.21Å; L249-V256 HydrophobicContact CB-CG2 4.35Å; L249-V256 HydrophobicContact CD1-CG2 3.78Å
257	S	94.7	Very high	93.5	Very high	51 Å²	51	50.4 Å²	50.4	36%	0.357	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	144.6	175.6	54.4	0	0	0	0	111.8	C247 V248	C247-S257 WeakPolarHBondContact CA-O 3.48Å; V248-S257 PolarHBondContact N-O 3.4Å; V248-S257 PolarHBondContact O-N 3.26Å
258	V	95.5	Very high	93.5	Very high	55 Å²	55	50.4 Å²	50.4	33%	0.333	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	130.1	166	-179.5	0	0	0	0	107.7	H158 V245	H158-V258 HydrophobicContact CB-CG2 4.33Å; V245-V258 HydrophobicContact CB-CG1 3.72Å; V245-V258 HydrophobicContact CG1-CG1 4.18Å; V245-V258 HydrophobicContact CG2-CG1 3.89Å; V245-V258 HydrophobicContact CG2-CG2 4.5Å
259	L	93.5	Very high	93.4	Very high	25 Å²	25	49.9 Å²	49.9	13%	0.131	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-71.2	130.7	-177.2	-172.4	64.1	0	0	0	110.9	L246 V280 V307 L309	L246-L259 HydrophobicContact CB-CB 3.9Å; L246-L259 HydrophobicContact CB-CD2 4.12Å; L246-L259 HydrophobicContact CD1-CD2 3.82Å; L246-L259 PolarHBondContact O-N 3.32Å; L259-V280 HydrophobicContact CD2-CB 4.33Å; L259-V280 HydrophobicContact CD2-CG2 4.37Å; L259-V307 HydrophobicContact CD1-CG1 4.18Å; L259-V307 HydrophobicContact CD2-CB 4.03Å; L259-V307 HydrophobicContact CD2-CG1 3.79Å; L259-V307 HydrophobicContact CD2-CG2 4.43Å; L259-V307 HydrophobicContact CG-CG1 4.09Å; L259-L309 HydrophobicContact CD1-CD2 3.22Å
260	E	91.7	Very high	93.3	Very high	172 Å²	172	50.7 Å²	50.7	80%	0.804	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-87.9	162.2	172.8	-62.9	-174.9	178.8	0	0	111.5
261	G	89.8	Confident	93.3	Very high	23 Å²	23	48.6 Å²	48.6	24%	0.237	28%	0.28	C	S	.	.			trans	97.2	-9.4	174.3	0	0	0	0	0	115.6	C314 A315	G261-C314 WeakPolarHBondContact O-CA 3.36Å; G261-A315 PolarHBondContact O-N 2.83Å
262	V	94.2	Very high	93.4	Very high	32 Å²	32	49.1 Å²	49.1	19%	0.194	28%	0.281	C	S	.	.			trans	-71.1	125.9	166.9	-177.1	0	0	0	0	109	L246 I266 P268 F282 V307	L246-V262 HydrophobicContact CD1-CG2 4.08Å; V262-I266 HydrophobicContact CG1-CB 4.41Å; V262-I266 HydrophobicContact CG1-CG2 4.33Å; V262-P268 HydrophobicContact CG1-CB 4.35Å; V262-P268 HydrophobicContact CG1-CG 4.1Å; V262-F282 HydrophobicContact CG1-CE2 4.28Å; V262-F282 HydrophobicContact CG1-CZ 4.17Å; V262-F282 HydrophobicContact CG2-CE1 4.27Å; V262-F282 HydrophobicContact CG2-CZ 3.93Å; V262-V307 HydrophobicContact CG2-CG2 4.4Å
263	P	92.9	Very high	93.8	Very high	46 Å²	46	41.9 Å²	41.9	30%	0.299	25%	0.247	S	C	.	.			trans	-60.9	142.9	178.8	-22.6	33	0	0	0	112.4	S265 I266	P263-S265 PolarHBondContact O-N 2.81Å; P263-I266 HydrophobicContact CB-CB 4.36Å; P263-I266 HydrophobicContact CB-CG1 3.96Å; P263-I266 HydrophobicContact CG-CG1 4.18Å; P263-I266 WeakPolarHBondContact O-CB 3.5Å; P263-I266 PolarHBondContact O-N 2.94Å
264	D	91.9	Very high	94.1	Very high	131 Å²	131	39.6 Å²	39.6	70%	0.701	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.8	-177.4	-80.2	-41.4	0	0	0	113.7	K189 I266 H287	K189-D264 IonicContact NZ-OD1 2.99Å; K189-D264 PolarHBondContact NZ-OD1 2.92Å; D264-I266 PolarHBondContact O-N 2.81Å; D264-H287 PolarHBondContact O-CE1 3.18Å; D264-H287 PolarHBondContact O-NE2 3.47Å; D264-H287 VanDerWaalsContact O-NE2 3.15Å
265	S	93.2	Very high	94.4	Very high	52 Å²	52	35.7 Å²	35.7	36%	0.364	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	1.8	176.9	57.2	0	0	0	0	114.2	P263 H287	P263-S265 PolarHBondContact O-N 2.81Å; S265-H287 PolarHBondContact O-N 3.16Å
266	I	95.9	Very high	94.3	Very high	9 Å²	9	34.2 Å²	34.2	5%	0.046	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.6	-174.5	-61.8	-63.7	0	0	0	110.4	V262 P263 D264 F282 W285 W286 F305	V262-I266 HydrophobicContact CG1-CB 4.41Å; V262-I266 HydrophobicContact CG1-CG2 4.33Å; P263-I266 HydrophobicContact CB-CB 4.36Å; P263-I266 HydrophobicContact CB-CG1 3.96Å; P263-I266 HydrophobicContact CG-CG1 4.18Å; P263-I266 WeakPolarHBondContact O-CB 3.5Å; P263-I266 PolarHBondContact O-N 2.94Å; D264-I266 PolarHBondContact O-N 2.81Å; I266-F282 HydrophobicContact CG2-CE2 4.25Å; I266-W285 WeakPolarHBondContact CA-O 3.2Å; I266-W286 HydrophobicContact CD1-CD2 3.64Å; I266-W286 HydrophobicContact CD1-CE3 4.28Å; I266-W286 HydrophobicContact CD1-CG 3.75Å; I266-W286 HydrophobicContact CD1-CZ2 4.17Å; I266-F305 HydrophobicContact CD1-CE2 4.41Å; I266-F305 HydrophobicContact CD1-CZ 4.09Å; I266-F305 HydrophobicContact CG1-CZ 4.34Å; I266-F305 HydrophobicContact CG2-CE2 4.34Å
267	S	96.8	Very high	94.2	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	112.7	171.1	-73.7	0	0	0	0	110.1	W234 P244 G284 W285 H287	W234-S267 VanDerWaalsContact CZ2-CB 3.49Å; W234-S267 WeakPolarHBondContact CZ2-OG 3.41Å; P244-S267 VanDerWaalsContact CG-CB 3.45Å; S267-G284 WeakPolarHBondContact O-CA 3.36Å; S267-W285 PolarHBondContact N-O 3.31Å; S267-W285 PolarHBondContact O-N 3.27Å; S267-H287 PolarHBondContact OG-ND1 2.71Å
268	P	96.9	Very high	94	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	143.5	-178.8	32.5	-36.3	0	0	0	112.7	F171 P244 L246 V262 F282 I283	F171-P268 WeakPolarHBondContact CD1-O 3.48Å; P244-P268 HydrophobicContact CB-CG 4.27Å; P244-P268 VanDerWaalsContact CB-O 3.26Å; P244-P268 WeakPolarHBondContact CB-O 3.37Å; P244-P268 VanDerWaalsContact O-CD 3.26Å; P244-P268 WeakPolarHBondContact O-CD 3.39Å; L246-P268 HydrophobicContact CD1-CB 4.16Å; L246-P268 HydrophobicContact CD2-CB 3.92Å; L246-P268 HydrophobicContact CD2-CG 4.27Å; L246-P268 HydrophobicContact CG-CB 3.85Å; L246-P268 HydrophobicContact CG-CG 3.96Å; V262-P268 HydrophobicContact CG1-CB 4.35Å; V262-P268 HydrophobicContact CG1-CG 4.1Å; P268-F282 HydrophobicContact CB-CD2 3.45Å; P268-F282 VanDerWaalsContact CB-CD2 3.45Å; P268-F282 HydrophobicContact CB-CE2 3.71Å; P268-F282 HydrophobicContact CB-CG 4.12Å; P268-I283 CarbonylContact C-O 3.55Å; P268-I283 WeakPolarHBondContact CA-O 3.18Å
269	G	95.6	Very high	94	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	-178.3	170.1	0	0	0	0	0	112	A271 I283	G269-A271 PolarHBondContact O-N 3.33Å; G269-A271 VanDerWaalsContact O-N 3.07Å; G269-I283 PolarHBondContact N-O 2.77Å; G269-I283 PolarHBondContact O-N 3.4Å
270	Q	94.6	Very high	94.1	Very high	17 Å²	17	31.8 Å²	31.8	8%	0.079	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	47.3	38.9	-176.2	-53.8	178.7	12.8	0	0	113.3	E169 Q170 I283 W285 P328	E169-Q270 PolarHBondContact O-NE2 3.3Å; Q170-Q270 VanDerWaalsContact O-CG 3.26Å; Q170-Q270 WeakPolarHBondContact O-CG 3.49Å; Q170-Q270 PolarHBondContact O-N 3.38Å; Q170-Q270 VanDerWaalsContact O-N 3.16Å; Q270-I283 HydrophobicContact CB-CB 4.45Å; Q270-I283 HydrophobicContact CB-CG1 4.13Å; Q270-W285 HydrophobicContact CG-CH2 4.05Å; Q270-P328 VanDerWaalsContact OE1-CD 3.29Å
271	A	95.5	Very high	94.4	Very high	3 Å²	3	23.6 Å²	23.6	3%	0.025	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	146.9	-170.5	0	0	0	0	0	112.6	S173 L184 L246 G269 V280 V281 F282	S173-A271 PolarHBondContact OG-O 2.95Å; L184-A271 HydrophobicContact CD2-CB 3.82Å; L246-A271 HydrophobicContact CD2-CB 3.56Å; G269-A271 PolarHBondContact O-N 3.33Å; G269-A271 VanDerWaalsContact O-N 3.07Å; A271-V280 HydrophobicContact CB-CG1 4.11Å; A271-V281 CarbonylContact C-O 3.46Å; A271-V281 VanDerWaalsContact CA-O 3.23Å; A271-V281 WeakPolarHBondContact CA-O 3.36Å; A271-F282 HydrophobicContact CB-CB 3.62Å
272	F	95.8	Very high	94.7	Very high	24 Å²	24	22.5 Å²	22.5	11%	0.105	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	162.9	176.9	62.4	-83	0	0	0	111.2	V175 V281 P328 L330 I337	V175-F272 HydrophobicContact CG1-CB 4.36Å; F272-V281 HydrophobicContact CD1-CB 4.44Å; F272-V281 HydrophobicContact CD2-CB 4.42Å; F272-V281 HydrophobicContact CE1-CB 3.88Å; F272-V281 HydrophobicContact CE1-CG1 3.66Å; F272-V281 HydrophobicContact CE2-CB 3.87Å; F272-V281 HydrophobicContact CE2-CG1 4.24Å; F272-V281 HydrophobicContact CE2-CG2 4.32Å; F272-V281 HydrophobicContact CZ-CB 3.59Å; F272-V281 HydrophobicContact CZ-CG1 3.46Å; F272-V281 VanDerWaalsContact CZ-CG1 3.46Å; F272-V281 HydrophobicContact CZ-CG2 4.33Å; F272-V281 PolarHBondContact N-O 2.94Å; F272-V281 PolarHBondContact O-N 3.18Å; F272-P328 HydrophobicContact CD1-CG 4.31Å; F272-P328 HydrophobicContact CE1-CB 3.74Å; F272-P328 HydrophobicContact CE1-CG 3.68Å; F272-P328 HydrophobicContact CZ-CB 4.34Å; F272-L330 HydrophobicContact CD2-CB 4.07Å; F272-L330 HydrophobicContact CD2-CD2 4.38Å; F272-L330 HydrophobicContact CE2-CB 3.76Å; F272-L330 HydrophobicContact CE2-CD1 4.39Å; F272-L330 HydrophobicContact CE2-CD2 4.34Å; F272-L330 HydrophobicContact CE2-CG 4.39Å; F272-I337 HydrophobicContact CE2-CD1 4.28Å; F272-I337 HydrophobicContact CE2-CG1 4.35Å; F272-I337 HydrophobicContact CZ-CD1 3.99Å; F272-I337 HydrophobicContact CZ-CG1 4.12Å; F272-I337 HydrophobicContact CZ-CG2 4Å
273	W	96.8	Very high	94.9	Very high	6 Å²	6	21 Å²	21	2%	0.023	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	136.3	179.5	-67.6	92.6	0	0	0	111.7	V175 S177 H178 H182 L184 V248 V280 L309	V175-W273 PolarHBondContact O-NE1 3.47Å; V175-W273 VanDerWaalsContact O-NE1 3.1Å; S177-W273 VanDerWaalsContact CA-CD1 3.42Å; S177-W273 VanDerWaalsContact N-NE1 3.2Å; H178-W273 PolarHBondContact CE1-O 3.49Å; H182-W273 HydrophobicContact CB-CH2 3.54Å; H182-W273 HydrophobicContact CB-CZ2 3.47Å; H182-W273 VanDerWaalsContact CB-CZ2 3.47Å; L184-W273 HydrophobicContact CB-CZ2 4Å; V248-W273 HydrophobicContact CG1-CH2 3.85Å; V248-W273 HydrophobicContact CG1-CZ2 4.17Å; V248-W273 HydrophobicContact CG2-CH2 4.32Å; W273-V280 HydrophobicContact CE3-CG2 4.3Å; W273-V280 HydrophobicContact CZ3-CG2 4.39Å; W273-L309 HydrophobicContact CE3-CD1 4.47Å; W273-L309 HydrophobicContact CH2-CD1 4.35Å; W273-L309 HydrophobicContact CZ3-CD1 3.62Å
274	A	95.5	Very high	95.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-69.1	159.9	173.2	0	0	0	0	0	111.3	H178 G276 D277 G279 V281 Y306 W359	H178-A274 PolarHBondContact CE1-O 2.56Å; A274-G276 PolarHBondContact O-N 2.85Å; A274-D277 PolarHBondContact O-N 3.15Å; A274-G279 WeakPolarHBondContact CB-O 3.42Å; A274-G279 PolarHBondContact N-O 2.98Å; A274-V281 HydrophobicContact CB-CG2 4.14Å; A274-Y306 HydrophobicContact CB-CD2 4.08Å; A274-Y306 HydrophobicContact CB-CE2 3.55Å; A274-W359 HydrophobicContact CB-CH2 3.69Å; A274-W359 HydrophobicContact CB-CZ2 3.88Å
275	P	93.3	Very high	95.3	Very high	9 Å²	9	12.8 Å²	12.8	6%	0.058	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-49.7	128.8	174.9	-32	38.8	0	0	0	113.3	D277 L330 Q334 W359	P275-D277 VanDerWaalsContact C-N 3.3Å; P275-D277 PolarHBondContact O-N 2.86Å; P275-L330 HydrophobicContact CG-CD1 4.04Å; P275-Q334 HydrophobicContact CB-CB 3.9Å; P275-Q334 WeakPolarHBondContact CB-O 3.5Å; P275-Q334 HydrophobicContact CG-CB 4.03Å; P275-Q334 WeakPolarHBondContact CG-O 3.47Å; P275-W359 HydrophobicContact CB-CD2 4.45Å; P275-W359 HydrophobicContact CB-CG 4.3Å; P275-W359 HydrophobicContact CG-CB 4.38Å; P275-W359 HydrophobicContact CG-CD2 3.66Å; P275-W359 HydrophobicContact CG-CE3 4.29Å; P275-W359 HydrophobicContact CG-CG 3.66Å; P275-W359 HydrophobicContact CG-CZ2 4.42Å
276	G	90.4	Very high	95.4	Very high	56 Å²	56	13 Å²	13	58%	0.577	8%	0.079	S	C	*	.	G	3₁₀ helix	trans	71.6	17.2	-178.7	0	0	0	0	0	115.4	A274 T278 Q334	A274-G276 PolarHBondContact O-N 2.85Å; G276-T278 PolarHBondContact O-N 2.89Å; G276-T278 VanDerWaalsContact O-N 3.15Å; G276-Q334 VanDerWaalsContact N-OE1 3.12Å
277	D	93.1	Very high	95.3	Very high	34 Å²	34	13.1 Å²	13.1	18%	0.182	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	58.4	22.5	179.9	-62.2	-26	0	0	0	114.3	H178 S179 A274 P275 G279	H178-D277 WeakPolarHBondContact CB-OD1 3.4Å; H178-D277 IonicContact CE1-OD1 2.96Å; H178-D277 IonicContact CG-OD1 2.77Å; H178-D277 PolarHBondContact N-OD1 3.35Å; H178-D277 PolarHBondContact N-OD2 3.48Å; H178-D277 IonicContact ND1-OD1 3.65Å; H178-D277 PolarHBondContact ND1-OD1 3.11Å; S179-D277 WeakPolarHBondContact CB-OD2 3.23Å; S179-D277 PolarHBondContact N-OD2 2.82Å; S179-D277 PolarHBondContact OG-OD2 2.83Å; A274-D277 PolarHBondContact O-N 3.15Å; P275-D277 VanDerWaalsContact C-N 3.3Å; P275-D277 PolarHBondContact O-N 2.86Å; D277-G279 PolarHBondContact O-N 3.24Å
278	T	91.8	Very high	95.1	Very high	51 Å²	51	19.1 Å²	19.1	31%	0.313	11%	0.107	S	C	.	.	S	Bend	trans	-73.6	-14.6	-178.1	64.2	0	0	0	0	113.5	G276 Y306 L309	G276-T278 PolarHBondContact O-N 2.89Å; G276-T278 VanDerWaalsContact O-N 3.15Å; T278-Y306 PolarHBondContact OG1-OH 3.08Å; T278-L309 PolarHBondContact O-N 3.42Å
279	G	94.6	Very high	94.9	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.9	-165.5	-176.6	0	0	0	0	0	113.6	A274 D277 V307	A274-G279 WeakPolarHBondContact CB-O 3.42Å; A274-G279 PolarHBondContact N-O 2.98Å; D277-G279 PolarHBondContact O-N 3.24Å; G279-V307 CarbonylContact C-O 3.57Å; G279-V307 WeakPolarHBondContact CA-O 3.25Å
280	V	96.2	Very high	94.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.2	-178.6	176.9	0	0	0	0	110	L184 L246 L259 A271 W273 Y306 V307 L309	L184-V280 HydrophobicContact CD1-CG1 4.26Å; L184-V280 HydrophobicContact CD1-CG2 4.23Å; L184-V280 HydrophobicContact CD2-CG1 3.56Å; L184-V280 HydrophobicContact CD2-CG2 4.16Å; L246-V280 HydrophobicContact CD1-CG1 4.02Å; L259-V280 HydrophobicContact CD2-CB 4.33Å; L259-V280 HydrophobicContact CD2-CG2 4.37Å; A271-V280 HydrophobicContact CB-CG1 4.11Å; W273-V280 HydrophobicContact CE3-CG2 4.3Å; W273-V280 HydrophobicContact CZ3-CG2 4.39Å; V280-Y306 WeakPolarHBondContact O-CA 3.41Å; V280-V307 PolarHBondContact N-O 3.34Å; V280-V307 PolarHBondContact O-N 3.06Å; V280-L309 HydrophobicContact CG2-CD1 4.42Å
281	V	97.1	Very high	94.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	139.4	170.5	178.6	0	0	0	0	109.1	A271 F272 A274 L304 F305 Y306 I337 W359	A271-V281 CarbonylContact C-O 3.46Å; A271-V281 VanDerWaalsContact CA-O 3.23Å; A271-V281 WeakPolarHBondContact CA-O 3.36Å; F272-V281 HydrophobicContact CD1-CB 4.44Å; F272-V281 HydrophobicContact CD2-CB 4.42Å; F272-V281 HydrophobicContact CE1-CB 3.88Å; F272-V281 HydrophobicContact CE1-CG1 3.66Å; F272-V281 HydrophobicContact CE2-CB 3.87Å; F272-V281 HydrophobicContact CE2-CG1 4.24Å; F272-V281 HydrophobicContact CE2-CG2 4.32Å; F272-V281 HydrophobicContact CZ-CB 3.59Å; F272-V281 HydrophobicContact CZ-CG1 3.46Å; F272-V281 VanDerWaalsContact CZ-CG1 3.46Å; F272-V281 HydrophobicContact CZ-CG2 4.33Å; F272-V281 PolarHBondContact N-O 2.94Å; F272-V281 PolarHBondContact O-N 3.18Å; A274-V281 HydrophobicContact CB-CG2 4.14Å; V281-L304 HydrophobicContact CG1-CD1 3.43Å; V281-L304 VanDerWaalsContact CG1-CD1 3.43Å; V281-L304 HydrophobicContact CG1-CD2 4.32Å; V281-L304 HydrophobicContact CG1-CG 3.83Å; V281-F305 CarbonylContact C-O 3.57Å; V281-F305 VanDerWaalsContact CA-O 3.25Å; V281-F305 WeakPolarHBondContact CA-O 3.16Å; V281-F305 WeakPolarHBondContact CG1-O 3.42Å; V281-Y306 HydrophobicContact CG2-CD2 4Å; V281-I337 HydrophobicContact CG1-CD1 4.27Å; V281-I337 HydrophobicContact CG2-CD1 4.28Å; V281-W359 HydrophobicContact CG2-CH2 4.16Å; V281-W359 HydrophobicContact CG2-CZ3 3.83Å
282	F	97.4	Very high	94.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	163.7	-179.7	64.2	-84.6	0	0	0	112.5	L246 V262 I266 P268 A271 F305 V307 A315	L246-F282 HydrophobicContact CD1-CB 4.45Å; L246-F282 HydrophobicContact CD1-CD1 3.76Å; L246-F282 HydrophobicContact CD1-CE1 4.13Å; L246-F282 HydrophobicContact CD1-CG 4.08Å; V262-F282 HydrophobicContact CG1-CE2 4.28Å; V262-F282 HydrophobicContact CG1-CZ 4.17Å; V262-F282 HydrophobicContact CG2-CE1 4.27Å; V262-F282 HydrophobicContact CG2-CZ 3.93Å; I266-F282 HydrophobicContact CG2-CE2 4.25Å; P268-F282 HydrophobicContact CB-CD2 3.45Å; P268-F282 VanDerWaalsContact CB-CD2 3.45Å; P268-F282 HydrophobicContact CB-CE2 3.71Å; P268-F282 HydrophobicContact CB-CG 4.12Å; A271-F282 HydrophobicContact CB-CB 3.62Å; F282-F305 HydrophobicContact CD1-CB 4.08Å; F282-F305 HydrophobicContact CD2-CB 4.16Å; F282-F305 HydrophobicContact CE1-CB 3.57Å; F282-F305 HydrophobicContact CE2-CB 3.66Å; F282-F305 AromaticContact CE2-CD2 3.97Å; F282-F305 HydrophobicContact CE2-CD2 3.97Å; F282-F305 AromaticContact CE2-CG 3.99Å; F282-F305 HydrophobicContact CE2-CG 3.99Å; F282-F305 HydrophobicContact CG-CB 4.36Å; F282-F305 HydrophobicContact CZ-CB 3.33Å; F282-F305 HydrophobicContact CZ-CD2 4.39Å; F282-F305 AromaticContact CZ-CG 3.94Å; F282-F305 HydrophobicContact CZ-CG 3.94Å; F282-F305 PolarHBondContact N-O 3.35Å; F282-F305 PolarHBondContact O-N 3.33Å; F282-V307 HydrophobicContact CE1-CG2 3.79Å; F282-V307 HydrophobicContact CZ-CG2 4.47Å; F282-A315 HydrophobicContact CE1-CB 4.31Å; F282-A315 HydrophobicContact CZ-CB 4.06Å
283	I	97.5	Very high	94.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	125.7	165.6	-59.4	-58.3	0	0	0	108.7	P268 G269 Q270 W285 S303 L304 V325 P328	P268-I283 CarbonylContact C-O 3.55Å; P268-I283 WeakPolarHBondContact CA-O 3.18Å; G269-I283 PolarHBondContact N-O 2.77Å; G269-I283 PolarHBondContact O-N 3.4Å; Q270-I283 HydrophobicContact CB-CB 4.45Å; Q270-I283 HydrophobicContact CB-CG1 4.13Å; I283-W285 HydrophobicContact CB-CH2 3.82Å; I283-W285 HydrophobicContact CB-CZ2 4.21Å; I283-W285 HydrophobicContact CB-CZ3 4.05Å; I283-W285 HydrophobicContact CG2-CD2 4.01Å; I283-W285 HydrophobicContact CG2-CE3 4.08Å; I283-W285 HydrophobicContact CG2-CH2 3.57Å; I283-W285 HydrophobicContact CG2-CZ2 3.47Å; I283-W285 VanDerWaalsContact CG2-CZ2 3.47Å; I283-W285 HydrophobicContact CG2-CZ3 3.86Å; I283-W285 WeakPolarHBondContact O-CZ3 3.29Å; I283-S303 WeakPolarHBondContact CA-O 3.48Å; I283-L304 HydrophobicContact CD1-CB 4.49Å; I283-L304 HydrophobicContact CD1-CD1 3.78Å; I283-V325 HydrophobicContact CD1-CG1 3.93Å; I283-V325 VanDerWaalsContact CG2-O 3.25Å; I283-V325 WeakPolarHBondContact CG2-O 3.25Å; I283-P328 HydrophobicContact CD1-CB 4.42Å; I283-P328 HydrophobicContact CD1-CG 3.84Å; I283-P328 VanDerWaalsContact CG1-CD 3.5Å; I283-P328 HydrophobicContact CG1-CG 3.77Å
284	G	96.9	Very high	94.6	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	124.2	174.4	0	0	0	0	0	110.9	S267 S302 S303	S267-G284 WeakPolarHBondContact O-CA 3.36Å; G284-S302 WeakPolarHBondContact O-CA 3.47Å; G284-S302 WeakPolarHBondContact O-CB 3.48Å; G284-S303 PolarHBondContact N-O 2.86Å; G284-S303 PolarHBondContact O-N 3.22Å
285	W	96.9	Very high	94.4	Very high	6 Å²	6	25.3 Å²	25.3	2%	0.023	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	134.6	171.5	-67.8	-90.5	0	0	0	110.9	F171 W234 I266 S267 Q270 I283 L294	F171-W285 HydrophobicContact CD1-CE3 4.43Å; F171-W285 HydrophobicContact CD1-CZ3 4.08Å; F171-W285 AromaticContact CE1-CE3 3.75Å; F171-W285 HydrophobicContact CE1-CE3 3.75Å; F171-W285 AromaticContact CE1-CZ3 3.83Å; F171-W285 HydrophobicContact CE1-CZ3 3.83Å; W234-W285 HydrophobicContact CH2-CB 3.66Å; W234-W285 HydrophobicContact CZ2-CB 4.22Å; W234-W285 HydrophobicContact CZ3-CB 4.42Å; I266-W285 WeakPolarHBondContact CA-O 3.2Å; S267-W285 PolarHBondContact N-O 3.31Å; S267-W285 PolarHBondContact O-N 3.27Å; Q270-W285 HydrophobicContact CG-CH2 4.05Å; I283-W285 HydrophobicContact CB-CH2 3.82Å; I283-W285 HydrophobicContact CB-CZ2 4.21Å; I283-W285 HydrophobicContact CB-CZ3 4.05Å; I283-W285 HydrophobicContact CG2-CD2 4.01Å; I283-W285 HydrophobicContact CG2-CE3 4.08Å; I283-W285 HydrophobicContact CG2-CH2 3.57Å; I283-W285 HydrophobicContact CG2-CZ2 3.47Å; I283-W285 VanDerWaalsContact CG2-CZ2 3.47Å; I283-W285 HydrophobicContact CG2-CZ3 3.86Å; I283-W285 WeakPolarHBondContact O-CZ3 3.29Å; W285-L294 HydrophobicContact CD2-CD1 4.1Å; W285-L294 HydrophobicContact CE3-CD1 4.44Å; W285-L294 HydrophobicContact CG-CD1 4.3Å; W285-L294 HydrophobicContact CG-CD2 4.11Å
286	W	95.4	Very high	94.2	Very high	56 Å²	56	30.9 Å²	30.9	21%	0.212	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	132.3	166.7	-74.1	-94.3	0	0	0	109.3	I266 R301 F305 D321	I266-W286 HydrophobicContact CD1-CD2 3.64Å; I266-W286 HydrophobicContact CD1-CE3 4.28Å; I266-W286 HydrophobicContact CD1-CG 3.75Å; I266-W286 HydrophobicContact CD1-CZ2 4.17Å; W286-R301 HydrophobicContact CD2-CG 4.17Å; W286-R301 HydrophobicContact CE3-CB 4.15Å; W286-R301 HydrophobicContact CE3-CG 3.58Å; W286-R301 HydrophobicContact CZ3-CG 3.96Å; W286-R301 PolarHBondContact N-O 3.03Å; W286-F305 HydrophobicContact CH2-CZ 4.11Å; W286-F305 HydrophobicContact CZ2-CZ 4.23Å; W286-D321 HydrophobicContact CH2-CB 3.78Å; W286-D321 HydrophobicContact CZ2-CB 4.1Å
287	H	94.3	Very high	94.3	Very high	12 Å²	12	28.3 Å²	28.3	6%	0.056	13%	0.133	C	C	.	.			trans	-115.3	2.5	-178.2	56.7	-128.4	0	0	0	114.7	W234 D264 S265 S267 F290 R291	W234-H287 HydrophobicContact CH2-CB 3.79Å; W234-H287 HydrophobicContact CZ2-CB 3.62Å; D264-H287 PolarHBondContact O-CE1 3.18Å; D264-H287 PolarHBondContact O-NE2 3.47Å; D264-H287 VanDerWaalsContact O-NE2 3.15Å; S265-H287 PolarHBondContact O-N 3.16Å; S267-H287 PolarHBondContact OG-ND1 2.71Å; H287-F290 CarbonylContact O-C 3.58Å; H287-F290 WeakPolarHBondContact O-CA 3.36Å; H287-F290 PolarHBondContact O-N 3.38Å; H287-R291 HydrophobicContact CB-CG 3.74Å; H287-R291 PolarHBondContact O-N 3.08Å
288	E	92.1	Very high	94.3	Very high	127 Å²	127	27.2 Å²	27.2	59%	0.593	13%	0.128	S	C	*	.			trans	-99.9	149	172.4	-67.8	-61.8	156.5	0	0	110	F290	E288-F290 VanDerWaalsContact C-N 3.3Å
289	P	91.7	Very high	94.5	Very high	61 Å²	61	24.8 Å²	24.8	40%	0.396	11%	0.113	S	C	.	.	S	Bend	cis	-76.7	-8.2	0.6	30.8	-35.5	0	0	0	114.7	P661	P289-P661 HydrophobicContact CG-CB 3.9Å; P289-P661 HydrophobicContact CG-CG 4.42Å
290	F	92.4	Very high	94.5	Very high	62 Å²	62	25 Å²	25	27%	0.272	11%	0.114	S	C	.	.			trans	-162.5	162.5	171.8	49.8	-91	0	0	0	110.1	E232 H287 E288 L292 P648 Y659 P661	E232-F290 VanDerWaalsContact OE1-CB 3.31Å; E232-F290 WeakPolarHBondContact OE1-CB 3.46Å; H287-F290 CarbonylContact O-C 3.58Å; H287-F290 WeakPolarHBondContact O-CA 3.36Å; H287-F290 PolarHBondContact O-N 3.38Å; E288-F290 VanDerWaalsContact C-N 3.3Å; F290-L292 HydrophobicContact CD2-CD2 4.26Å; F290-L292 HydrophobicContact CE2-CD2 3.74Å; F290-L292 HydrophobicContact CE2-CG 4.3Å; F290-P648 HydrophobicContact CE2-CG 4.33Å; F290-Y659 WeakPolarHBondContact CE2-OH 3.38Å; F290-Y659 VanDerWaalsContact CZ-OH 3.23Å; F290-Y659 WeakPolarHBondContact CZ-OH 3.26Å; F290-P661 HydrophobicContact CE1-CB 4.13Å; F290-P661 WeakPolarHBondContact CE1-O 3.42Å; F290-P661 HydrophobicContact CZ-CB 3.93Å
291	R	94.6	Very high	94.5	Very high	34 Å²	34	29.6 Å²	29.6	13%	0.128	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-78.2	125.1	-179.1	-69.5	169	-176.2	69	2.1	111.4	E232 D233 W234 S242 H287	E232-R291 IonicContact OE2-NH1 3.51Å; D233-R291 WeakPolarHBondContact O-CB 3.47Å; W234-R291 HydrophobicContact CD2-CB 4.16Å; W234-R291 HydrophobicContact CD2-CG 4.02Å; W234-R291 HydrophobicContact CE3-CB 3.97Å; W234-R291 HydrophobicContact CE3-CG 4.18Å; W234-R291 HydrophobicContact CH2-CG 4.34Å; W234-R291 HydrophobicContact CZ2-CG 4.13Å; W234-R291 HydrophobicContact CZ3-CB 4.3Å; W234-R291 HydrophobicContact CZ3-CG 4.35Å; S242-R291 PolarHBondContact O-NE 2.94Å; S242-R291 PolarHBondContact O-NH2 2.94Å; S242-R291 VanDerWaalsContact O-NH2 3.14Å; H287-R291 HydrophobicContact CB-CG 3.74Å; H287-R291 PolarHBondContact O-N 3.08Å
292	L	95.3	Very high	94.5	Very high	16 Å²	16	29.6 Å²	29.6	8%	0.084	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-97.2	136.4	169	-69.5	174.7	0	0	0	109.9	W234 F290 L294 Y345 P648 Y659	W234-L292 VanDerWaalsContact CE3-O 3.28Å; W234-L292 WeakPolarHBondContact CZ3-O 3.22Å; F290-L292 HydrophobicContact CD2-CD2 4.26Å; F290-L292 HydrophobicContact CE2-CD2 3.74Å; F290-L292 HydrophobicContact CE2-CG 4.3Å; L292-L294 PolarHBondContact O-N 2.94Å; L292-Y345 HydrophobicContact CD1-CE1 4Å; L292-P648 HydrophobicContact CD2-CG 3.69Å; L292-Y659 HydrophobicContact CD1-CE1 4.29Å
293	G	95.5	Very high	94.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-52.8	130.7	-177	0	0	0	0	0	112.8	W234 C297 R300 D646	W234-G293 WeakPolarHBondContact O-CA 3.47Å; G293-C297 VanDerWaalsContact O-CB 3.31Å; G293-C297 WeakPolarHBondContact O-CB 3.34Å; G293-R300 PolarHBondContact O-NE 3.36Å; G293-R300 PolarHBondContact O-NH2 2.83Å; G293-D646 PolarHBondContact N-O 3.39Å
294	L	93.9	Very high	94.5	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	13%	0.131	C	C	.	.			trans	-93.2	-24.5	-176.8	-62.1	-178.2	0	0	0	113.4	Q170 F171 W234 L238 W285 L292 Y296 C297 R300	Q170-L294 HydrophobicContact CB-CD1 4.45Å; Q170-L294 HydrophobicContact CG-CB 4.09Å; Q170-L294 PolarHBondContact NE2-O 2.88Å; F171-L294 HydrophobicContact CE1-CD1 3.99Å; F171-L294 HydrophobicContact CE2-CD1 4.04Å; F171-L294 HydrophobicContact CZ-CD1 3.41Å; F171-L294 VanDerWaalsContact CZ-CD1 3.41Å; W234-L294 HydrophobicContact CD2-CD1 3.91Å; W234-L294 HydrophobicContact CD2-CG 4.08Å; W234-L294 HydrophobicContact CE3-CD1 3.71Å; W234-L294 HydrophobicContact CE3-CD2 3.78Å; W234-L294 HydrophobicContact CE3-CG 3.42Å; W234-L294 VanDerWaalsContact CE3-CG 3.42Å; W234-L294 HydrophobicContact CG-CD1 4.4Å; W234-L294 HydrophobicContact CH2-CD2 4.45Å; W234-L294 HydrophobicContact CZ3-CD1 4.02Å; W234-L294 HydrophobicContact CZ3-CD2 3.58Å; W234-L294 HydrophobicContact CZ3-CG 3.77Å; L238-L294 HydrophobicContact CD1-CB 3.91Å; L238-L294 HydrophobicContact CD1-CD1 4.34Å; L238-L294 HydrophobicContact CD1-CG 4.43Å; W285-L294 HydrophobicContact CD2-CD1 4.1Å; W285-L294 HydrophobicContact CE3-CD1 4.44Å; W285-L294 HydrophobicContact CG-CD1 4.3Å; W285-L294 HydrophobicContact CG-CD2 4.11Å; L292-L294 PolarHBondContact O-N 2.94Å; L294-Y296 PolarHBondContact O-N 3.26Å; L294-C297 PolarHBondContact O-N 2.82Å; L294-R300 HydrophobicContact CD2-CB 3.89Å; L294-R300 HydrophobicContact CD2-CG 3.66Å
295	K	91.4	Very high	94.5	Very high	6 Å²	6	30 Å²	30	3%	0.026	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	120.4	-174.4	-168.5	74.9	-176.6	-176.2	0	109.9	T166 F167 P168 E236 A237 C297 R699	T166-K295 PolarHBondContact O-NZ 2.79Å; T166-K295 PolarHBondContact OG1-NZ 2.85Å; F167-K295 VanDerWaalsContact C-NZ 3.28Å; F167-K295 PolarHBondContact O-NZ 2.79Å; P168-K295 PolarHBondContact O-NZ 3.43Å; E236-K295 WeakPolarHBondContact O-CB 3.25Å; A237-K295 HydrophobicContact CB-CD 4.23Å; A237-K295 HydrophobicContact CB-CG 4.14Å; K295-C297 PolarHBondContact O-N 3.2Å; K295-C297 PolarHBondContact O-SG 3.5Å; K295-R699 PolarHBondContact O-NH1 3.3Å; K295-R699 VanDerWaalsContact O-NH1 3.14Å; K295-R699 PolarHBondContact O-NH2 3.48Å
296	Y	89.2	Confident	94.5	Very high	126 Å²	126	30.7 Å²	30.7	49%	0.494	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	17.6	-174.9	-49	-62.3	0	0	0	115.4	L294	L294-Y296 PolarHBondContact O-N 3.26Å
297	C	93.9	Very high	94.5	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.014	13%	0.127	C	C	.	.			trans	-129.2	73	-177.4	-51.8	0	0	0	0	109.4	G293 L294 K295 N299 R300 H348 R699	G293-C297 VanDerWaalsContact O-CB 3.31Å; G293-C297 WeakPolarHBondContact O-CB 3.34Å; L294-C297 PolarHBondContact O-N 2.82Å; K295-C297 PolarHBondContact O-N 3.2Å; K295-C297 PolarHBondContact O-SG 3.5Å; C297-N299 PolarHBondContact O-N 3.41Å; C297-R300 WeakPolarHBondContact O-CG 3.1Å; C297-H348 PolarHBondContact SG-ND1 3.23Å; C297-R699 PolarHBondContact SG-NH1 2.96Å
298	P	92.6	Very high	94.3	Very high	11 Å²	11	29.4 Å²	29.4	7%	0.071	13%	0.133	C	C	.	.			trans	-63.9	-18.7	178.5	23.8	-36.7	0	0	0	114.6	R300 A324 Y326 H348 M349	P298-R300 PolarHBondContact O-N 2.77Å; P298-A324 VanDerWaalsContact O-CB 3.23Å; P298-A324 WeakPolarHBondContact O-CB 3.46Å; P298-Y326 HydrophobicContact CB-CD1 3.91Å; P298-Y326 HydrophobicContact CB-CD2 4.42Å; P298-Y326 HydrophobicContact CB-CE1 3.43Å; P298-Y326 VanDerWaalsContact CB-CE1 3.43Å; P298-Y326 HydrophobicContact CB-CE2 3.99Å; P298-Y326 HydrophobicContact CB-CG 4.38Å; P298-Y326 VanDerWaalsContact CB-CZ 3.45Å; P298-Y326 HydrophobicContact CG-CE1 4.49Å; P298-H348 WeakPolarHBondContact CD-O 3.36Å; P298-H348 WeakPolarHBondContact CG-O 3.32Å; P298-M349 WeakPolarHBondContact CD-SD 3.43Å; P298-M349 HydrophobicContact CG-SD 3.56Å; P298-M349 VanDerWaalsContact CG-SD 3.56Å
299	N	95	Very high	94.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.123	C	C	.	.			trans	-73	35.1	-175.1	68	-30.9	0	0	0	114.7	C297 Y345 G346 P347	C297-N299 PolarHBondContact O-N 3.41Å; N299-Y345 WeakPolarHBondContact CB-O 3.17Å; N299-Y345 PolarHBondContact ND2-O 2.71Å; N299-Y345 PolarHBondContact O-N 3.2Å; N299-G346 PolarHBondContact ND2-O 3.17Å; N299-P347 PolarHBondContact ND2-O 3.29Å
300	R	95.3	Very high	93.6	Very high	6 Å²	6	29.2 Å²	29.2	2%	0.023	14%	0.137	C	C	.	.	S	Bend	trans	-103.8	133.6	-175.3	-57.6	-75.2	176.2	-115.2	22.2	108.5	G293 L294 C297 P298 S302 A324 H348 D649	G293-R300 PolarHBondContact O-NE 3.36Å; G293-R300 PolarHBondContact O-NH2 2.83Å; L294-R300 HydrophobicContact CD2-CB 3.89Å; L294-R300 HydrophobicContact CD2-CG 3.66Å; C297-R300 WeakPolarHBondContact O-CG 3.1Å; P298-R300 PolarHBondContact O-N 2.77Å; R300-S302 WeakPolarHBondContact O-CB 3.32Å; R300-S302 PolarHBondContact O-N 2.79Å; R300-S302 PolarHBondContact O-OG 3.45Å; R300-A324 WeakPolarHBondContact O-CA 3.42Å; R300-A324 WeakPolarHBondContact O-CB 3.38Å; R300-H348 PolarHBondContact NH2-CE1 2.9Å; R300-H348 VanDerWaalsContact NH2-CE1 3.33Å; R300-D649 IonicContact CZ-OD1 3.67Å; R300-D649 IonicContact CZ-OD2 3.04Å; R300-D649 IonicContact NH1-OD1 2.99Å; R300-D649 IonicContact NH1-OD2 3.33Å; R300-D649 PolarHBondContact NH1-OD2 2.81Å; R300-D649 IonicContact NH2-OD1 2.61Å; R300-D649 PolarHBondContact NH2-OD1 2.98Å; R300-D649 IonicContact NH2-OD2 3.18Å; R300-D649 PolarHBondContact NH2-OD2 2.92Å
301	R	96.2	Very high	92.6	Very high	95 Å²	95	28.2 Å²	28.2	36%	0.358	14%	0.144	S	C	.	.			trans	-52.9	119.4	-179.7	-164.6	-171.7	178.3	-176.2	-1.5	109	W286 D321 V344	W286-R301 HydrophobicContact CD2-CG 4.17Å; W286-R301 HydrophobicContact CE3-CB 4.15Å; W286-R301 HydrophobicContact CE3-CG 3.58Å; W286-R301 HydrophobicContact CZ3-CG 3.96Å; W286-R301 PolarHBondContact N-O 3.03Å; R301-D321 PolarHBondContact NE-O 3.28Å; R301-D321 PolarHBondContact NH2-O 2.87Å; R301-D321 IonicContact NH2-OD2 3.22Å; R301-D321 PolarHBondContact NH2-OD2 3.37Å; R301-V344 HydrophobicContact CB-CG1 3.88Å; R301-V344 HydrophobicContact CB-CG2 4.22Å; R301-V344 HydrophobicContact CG-CG2 4.3Å
302	S	97.1	Very high	91.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	155.4	-173.6	44.6	0	0	0	0	111.4	G284 R300 S323 A324 V325	G284-S302 WeakPolarHBondContact O-CA 3.47Å; G284-S302 WeakPolarHBondContact O-CB 3.48Å; R300-S302 WeakPolarHBondContact O-CB 3.32Å; R300-S302 PolarHBondContact O-N 2.79Å; R300-S302 PolarHBondContact O-OG 3.45Å; S302-S323 PolarHBondContact N-O 3.43Å; S302-A324 WeakPolarHBondContact OG-CA 3.38Å; S302-V325 PolarHBondContact OG-N 3.46Å; S302-V325 PolarHBondContact OG-O 3.04Å
303	S	97.8	Very high	89.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	157.8	179.1	-148.8	0	0	0	0	111.2	I283 G284 F305 Q317 S319 S320	I283-S303 WeakPolarHBondContact CA-O 3.48Å; G284-S303 PolarHBondContact N-O 2.86Å; G284-S303 PolarHBondContact O-N 3.22Å; S303-F305 WeakPolarHBondContact O-CD2 3.35Å; S303-F305 WeakPolarHBondContact O-CE2 3.43Å; S303-Q317 WeakPolarHBondContact OG-CG 3.22Å; S303-Q317 PolarHBondContact OG-NE2 3.05Å; S303-S319 PolarHBondContact OG-O 2.85Å; S303-S319 VanDerWaalsContact OG-O 3.05Å; S303-S319 PolarHBondContact OG-OG 3.06Å; S303-S320 WeakPolarHBondContact CB-O 3.31Å; S303-S320 PolarHBondContact OG-O 2.94Å
304	L	97.4	Very high	89.3	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	128.1	166.4	-166.3	69.6	0	0	0	109.3	V281 I283 L318 S319 V325 P328 I337 Y339	V281-L304 HydrophobicContact CG1-CD1 3.43Å; V281-L304 VanDerWaalsContact CG1-CD1 3.43Å; V281-L304 HydrophobicContact CG1-CD2 4.32Å; V281-L304 HydrophobicContact CG1-CG 3.83Å; I283-L304 HydrophobicContact CD1-CB 4.49Å; I283-L304 HydrophobicContact CD1-CD1 3.78Å; L304-L318 HydrophobicContact CB-CB 4.24Å; L304-L318 HydrophobicContact CD2-CB 4.14Å; L304-L318 HydrophobicContact CD2-CD1 4.11Å; L304-L318 HydrophobicContact CG-CB 4.26Å; L304-L318 HydrophobicContact CG-CD1 4.27Å; L304-L318 PolarHBondContact O-N 3.2Å; L304-S319 WeakPolarHBondContact CB-OG 3.37Å; L304-S319 PolarHBondContact N-OG 2.92Å; L304-V325 HydrophobicContact CB-CG1 4.49Å; L304-P328 HydrophobicContact CD1-CB 3.83Å; L304-P328 HydrophobicContact CD1-CG 4.12Å; L304-I337 HydrophobicContact CD2-CD1 4.48Å; L304-I337 HydrophobicContact CD2-CG2 4.18Å; L304-Y339 HydrophobicContact CD2-CD1 4.38Å; L304-Y339 HydrophobicContact CD2-CE1 4.46Å
305	F	97.2	Very high	89	Confident	8 Å²	8	42.1 Å²	42.1	4%	0.035	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	156.1	178.5	-69.6	-91.1	0	0	0	111.1	I266 V281 F282 W286 S303 A315 E316 Q317	I266-F305 HydrophobicContact CD1-CE2 4.41Å; I266-F305 HydrophobicContact CD1-CZ 4.09Å; I266-F305 HydrophobicContact CG1-CZ 4.34Å; I266-F305 HydrophobicContact CG2-CE2 4.34Å; V281-F305 CarbonylContact C-O 3.57Å; V281-F305 VanDerWaalsContact CA-O 3.25Å; V281-F305 WeakPolarHBondContact CA-O 3.16Å; V281-F305 WeakPolarHBondContact CG1-O 3.42Å; F282-F305 HydrophobicContact CD1-CB 4.08Å; F282-F305 HydrophobicContact CD2-CB 4.16Å; F282-F305 HydrophobicContact CE1-CB 3.57Å; F282-F305 HydrophobicContact CE2-CB 3.66Å; F282-F305 AromaticContact CE2-CD2 3.97Å; F282-F305 HydrophobicContact CE2-CD2 3.97Å; F282-F305 AromaticContact CE2-CG 3.99Å; F282-F305 HydrophobicContact CE2-CG 3.99Å; F282-F305 HydrophobicContact CG-CB 4.36Å; F282-F305 HydrophobicContact CZ-CB 3.33Å; F282-F305 HydrophobicContact CZ-CD2 4.39Å; F282-F305 AromaticContact CZ-CG 3.94Å; F282-F305 HydrophobicContact CZ-CG 3.94Å; F282-F305 PolarHBondContact N-O 3.35Å; F282-F305 PolarHBondContact O-N 3.33Å; W286-F305 HydrophobicContact CH2-CZ 4.11Å; W286-F305 HydrophobicContact CZ2-CZ 4.23Å; S303-F305 WeakPolarHBondContact O-CD2 3.35Å; S303-F305 WeakPolarHBondContact O-CE2 3.43Å; F305-A315 HydrophobicContact CB-CB 4.33Å; F305-A315 HydrophobicContact CD1-CB 4.15Å; F305-E316 CarbonylContact C-O 3.56Å; F305-E316 VanDerWaalsContact CA-O 3.26Å; F305-E316 WeakPolarHBondContact CA-O 3.15Å; F305-Q317 HydrophobicContact CD1-CB 4.06Å; F305-Q317 HydrophobicContact CD1-CG 4.33Å; F305-Q317 HydrophobicContact CE1-CB 3.83Å; F305-Q317 HydrophobicContact CE1-CG 3.89Å; F305-Q317 HydrophobicContact CZ-CG 4.18Å
306	Y	96.3	Very high	89	Confident	22 Å²	22	46.9 Å²	46.9	9%	0.086	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	127	173.6	169.9	-117.3	0	0	0	111.1	A274 T278 V280 V281 D308 A315 E316 W359	A274-Y306 HydrophobicContact CB-CD2 4.08Å; A274-Y306 HydrophobicContact CB-CE2 3.55Å; T278-Y306 PolarHBondContact OG1-OH 3.08Å; V280-Y306 WeakPolarHBondContact O-CA 3.41Å; V281-Y306 HydrophobicContact CG2-CD2 4Å; Y306-D308 HydrophobicContact CE1-CB 3.79Å; Y306-A315 CarbonylContact O-C 3.48Å; Y306-A315 VanDerWaalsContact O-CA 3.29Å; Y306-A315 WeakPolarHBondContact O-CA 3.14Å; Y306-E316 PolarHBondContact N-O 3.35Å; Y306-E316 PolarHBondContact O-N 2.95Å; Y306-W359 HydrophobicContact CD1-CH2 4.4Å; Y306-W359 AromaticContact CD2-CH2 3.65Å; Y306-W359 HydrophobicContact CD2-CH2 3.65Å; Y306-W359 HydrophobicContact CD2-CZ3 4.45Å; Y306-W359 HydrophobicContact CE1-CH2 4.42Å; Y306-W359 AromaticContact CE2-CH2 3.65Å; Y306-W359 HydrophobicContact CE2-CH2 3.65Å; Y306-W359 HydrophobicContact CE2-CZ2 4.17Å; Y306-W359 HydrophobicContact CG-CH2 4.03Å
307	V	95	Very high	89.3	Confident	3 Å²	3	44.5 Å²	44.5	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.6	169.4	170.8	0	0	0	0	108.7	L259 V262 G279 V280 F282 A315	L259-V307 HydrophobicContact CD1-CG1 4.18Å; L259-V307 HydrophobicContact CD2-CB 4.03Å; L259-V307 HydrophobicContact CD2-CG1 3.79Å; L259-V307 HydrophobicContact CD2-CG2 4.43Å; L259-V307 HydrophobicContact CG-CG1 4.09Å; V262-V307 HydrophobicContact CG2-CG2 4.4Å; G279-V307 CarbonylContact C-O 3.57Å; G279-V307 WeakPolarHBondContact CA-O 3.25Å; V280-V307 PolarHBondContact N-O 3.34Å; V280-V307 PolarHBondContact O-N 3.06Å; F282-V307 HydrophobicContact CE1-CG2 3.79Å; F282-V307 HydrophobicContact CZ-CG2 4.47Å; V307-A315 HydrophobicContact CG2-CB 3.54Å
308	D	91.5	Very high	89.4	Confident	37 Å²	37	45.2 Å²	45.2	20%	0.198	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	116.4	175.6	179.3	9.7	0	0	0	110.6	Y306 T310 G311	Y306-D308 HydrophobicContact CE1-CB 3.79Å; D308-T310 VanDerWaalsContact C-N 3.31Å; D308-T310 WeakPolarHBondContact OD1-CB 3.17Å; D308-T310 PolarHBondContact OD1-N 3.24Å; D308-T310 PolarHBondContact OD1-OG1 3.18Å; D308-T310 PolarHBondContact OD2-OG1 2.96Å; D308-G311 PolarHBondContact OD1-N 3.1Å; D308-G311 PolarHBondContact OD2-N 3.49Å
309	L	88.1	Confident	89.5	Confident	72 Å²	72	45.4 Å²	45.4	38%	0.377	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-16.5	178.8	-68.2	171.5	0	0	0	112.7	L259 W273 T278 V280	L259-L309 HydrophobicContact CD1-CD2 3.22Å; W273-L309 HydrophobicContact CE3-CD1 4.47Å; W273-L309 HydrophobicContact CH2-CD1 4.35Å; W273-L309 HydrophobicContact CZ3-CD1 3.62Å; T278-L309 PolarHBondContact O-N 3.42Å; V280-L309 HydrophobicContact CG2-CD1 4.42Å
310	T	81	Confident	89.3	Confident	113 Å²	113	47.2 Å²	47.2	69%	0.693	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-30.2	-178.4	70.9	0	0	0	0	112.5	D308	D308-T310 VanDerWaalsContact C-N 3.31Å; D308-T310 WeakPolarHBondContact OD1-CB 3.17Å; D308-T310 PolarHBondContact OD1-N 3.24Å; D308-T310 PolarHBondContact OD1-OG1 3.18Å; D308-T310 PolarHBondContact OD2-OG1 2.96Å
311	G	69.9	Low	89	Confident	40 Å²	40	50 Å²	50	41%	0.412	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-8.7	-170.9	0	0	0	0	0	116.2	D308 K313	D308-G311 PolarHBondContact OD1-N 3.1Å; D308-G311 PolarHBondContact OD2-N 3.49Å; G311-K313 VanDerWaalsContact C-N 3.32Å; G311-K313 PolarHBondContact O-N 3.38Å
312	G	63.4	Low	88.8	Confident	78 Å²	78	50.4 Å²	50.4	80%	0.804	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	30.4	177.8	0	0	0	0	0	114.8
313	K	71.3	Confident	88.6	Confident	145 Å²	145	51.1 Å²	51.1	63%	0.63	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-97.6	157.9	-175.6	-67.2	179.6	-177.1	171.9	0	112.2	G311	G311-K313 VanDerWaalsContact C-N 3.32Å; G311-K313 PolarHBondContact O-N 3.38Å
314	C	81.3	Confident	88.6	Confident	104 Å²	104	51.1 Å²	51.1	70%	0.703	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-56.8	153.4	165.9	-61.3	0	0	0	0	111.2	G261 E316	G261-C314 WeakPolarHBondContact O-CA 3.36Å; C314-E316 PolarHBondContact O-N 3.24Å
315	A	87.4	Confident	88.5	Confident	17 Å²	17	51.1 Å²	51.1	14%	0.14	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-56	127.9	179.6	0	0	0	0	0	111.6	G261 F282 F305 Y306 V307	G261-A315 PolarHBondContact O-N 2.83Å; F282-A315 HydrophobicContact CE1-CB 4.31Å; F282-A315 HydrophobicContact CZ-CB 4.06Å; F305-A315 HydrophobicContact CB-CB 4.33Å; F305-A315 HydrophobicContact CD1-CB 4.15Å; Y306-A315 CarbonylContact O-C 3.48Å; Y306-A315 VanDerWaalsContact O-CA 3.29Å; Y306-A315 WeakPolarHBondContact O-CA 3.14Å; V307-A315 HydrophobicContact CG2-CB 3.54Å
316	E	93.2	Very high	88.5	Confident	106 Å²	106	51 Å²	51	50%	0.495	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	132.8	170.5	-176.5	-176.7	171.9	0	0	109.4	F305 Y306 C314 L318	F305-E316 CarbonylContact C-O 3.56Å; F305-E316 VanDerWaalsContact CA-O 3.26Å; F305-E316 WeakPolarHBondContact CA-O 3.15Å; Y306-E316 PolarHBondContact N-O 3.35Å; Y306-E316 PolarHBondContact O-N 2.95Å; C314-E316 PolarHBondContact O-N 3.24Å; E316-L318 HydrophobicContact CG-CD2 4.1Å
317	Q	95.1	Very high	88.5	Confident	76 Å²	76	49.9 Å²	49.9	36%	0.355	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	126.1	174.2	-169.3	-173.3	-38.6	0	0	110.1	S303 F305 S319 D321	S303-Q317 WeakPolarHBondContact OG-CG 3.22Å; S303-Q317 PolarHBondContact OG-NE2 3.05Å; F305-Q317 HydrophobicContact CD1-CB 4.06Å; F305-Q317 HydrophobicContact CD1-CG 4.33Å; F305-Q317 HydrophobicContact CE1-CB 3.83Å; F305-Q317 HydrophobicContact CE1-CG 3.89Å; F305-Q317 HydrophobicContact CZ-CG 4.18Å; Q317-S319 PolarHBondContact NE2-O 3.32Å; Q317-D321 VanDerWaalsContact NE2-CB 3.32Å; Q317-D321 VanDerWaalsContact NE2-N 3.19Å
318	L	95.4	Very high	88.5	Confident	17 Å²	17	49.9 Å²	49.9	9%	0.089	30%	0.304	C	S	.	.			trans	-102.7	-18.7	-173.7	-57.4	-171.7	0	0	0	114.3	L304 E316 Y357 W359	L304-L318 HydrophobicContact CB-CB 4.24Å; L304-L318 HydrophobicContact CD2-CB 4.14Å; L304-L318 HydrophobicContact CD2-CD1 4.11Å; L304-L318 HydrophobicContact CG-CB 4.26Å; L304-L318 HydrophobicContact CG-CD1 4.27Å; L304-L318 PolarHBondContact O-N 3.2Å; E316-L318 HydrophobicContact CG-CD2 4.1Å; L318-Y357 HydrophobicContact CB-CE2 4.2Å; L318-Y357 HydrophobicContact CD1-CE1 4.15Å; L318-W359 HydrophobicContact CD1-CZ3 4.35Å
319	S	95.3	Very high	88.8	Confident	14 Å²	14	49.3 Å²	49.3	10%	0.098	30%	0.299	C	S	.	.	S	Bend	trans	-128.1	-178.5	-178.9	64.9	0	0	0	0	112.1	S303 L304 Q317	S303-S319 PolarHBondContact OG-O 2.85Å; S303-S319 VanDerWaalsContact OG-O 3.05Å; S303-S319 PolarHBondContact OG-OG 3.06Å; L304-S319 WeakPolarHBondContact CB-OG 3.37Å; L304-S319 PolarHBondContact N-OG 2.92Å; Q317-S319 PolarHBondContact NE2-O 3.32Å
320	S	90.3	Very high	89.2	Confident	39 Å²	39	47.5 Å²	47.5	27%	0.273	29%	0.29	S	S	.	.			trans	-54.9	146.5	177.2	179.4	0	0	0	0	112.5	S303 T322 S323	S303-S320 WeakPolarHBondContact CB-O 3.31Å; S303-S320 PolarHBondContact OG-O 2.94Å; S320-T322 PolarHBondContact OG-N 2.97Å; S320-T322 PolarHBondContact OG-OG1 3.09Å; S320-S323 PolarHBondContact OG-OG 2.93Å
321	D	88.9	Confident	89.9	Confident	65 Å²	65	42.2 Å²	42.2	35%	0.348	26%	0.258	S	S	.	.	S	Bend	trans	-96.3	-2	167.8	63.9	-24.7	0	0	0	113	W286 R301 Q317	W286-D321 HydrophobicContact CH2-CB 3.78Å; W286-D321 HydrophobicContact CZ2-CB 4.1Å; R301-D321 PolarHBondContact NE-O 3.28Å; R301-D321 PolarHBondContact NH2-O 2.87Å; R301-D321 IonicContact NH2-OD2 3.22Å; R301-D321 PolarHBondContact NH2-OD2 3.37Å; Q317-D321 VanDerWaalsContact NE2-CB 3.32Å; Q317-D321 VanDerWaalsContact NE2-N 3.19Å
322	T	91.3	Very high	91.1	Very high	102 Å²	102	43.8 Å²	43.8	63%	0.626	26%	0.26	S	S	*	.	S	Bend	trans	-103.7	3.1	-178.5	59.2	0	0	0	0	112.9	S320 V344	S320-T322 PolarHBondContact OG-N 2.97Å; S320-T322 PolarHBondContact OG-OG1 3.09Å; T322-V344 WeakPolarHBondContact O-CG2 3.2Å
323	S	94.7	Very high	92.7	Very high	16 Å²	16	43.6 Å²	43.6	11%	0.112	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	170.9	-175.1	-53.6	0	0	0	0	110.8	S302 S320 V344	S302-S323 PolarHBondContact N-O 3.43Å; S320-S323 PolarHBondContact OG-OG 2.93Å; S323-V344 VanDerWaalsContact O-CG2 3.29Å; S323-V344 WeakPolarHBondContact O-CG2 3.25Å
324	A	96.3	Very high	93.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	115.8	167.2	0	0	0	0	0	108.4	P298 R300 S302 E341 C342 V344	P298-A324 VanDerWaalsContact O-CB 3.23Å; P298-A324 WeakPolarHBondContact O-CB 3.46Å; R300-A324 WeakPolarHBondContact O-CA 3.42Å; R300-A324 WeakPolarHBondContact O-CB 3.38Å; S302-A324 WeakPolarHBondContact OG-CA 3.38Å; A324-E341 CarbonylContact O-C 3.5Å; A324-E341 VanDerWaalsContact O-CA 3.3Å; A324-E341 WeakPolarHBondContact O-CA 3.5Å; A324-C342 PolarHBondContact N-O 3.26Å; A324-C342 PolarHBondContact O-N 2.86Å; A324-V344 HydrophobicContact CB-CG2 4.26Å
325	V	96.7	Very high	94.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.7	-173.3	174.3	0	0	0	0	109.5	I283 S302 L304 Y339 L340 E341	I283-V325 HydrophobicContact CD1-CG1 3.93Å; I283-V325 VanDerWaalsContact CG2-O 3.25Å; I283-V325 WeakPolarHBondContact CG2-O 3.25Å; S302-V325 PolarHBondContact OG-N 3.46Å; S302-V325 PolarHBondContact OG-O 3.04Å; L304-V325 HydrophobicContact CB-CG1 4.49Å; V325-Y339 HydrophobicContact CB-CD2 4.41Å; V325-Y339 HydrophobicContact CB-CE2 4.48Å; V325-Y339 HydrophobicContact CG1-CD2 3.36Å; V325-Y339 HydrophobicContact CG1-CE2 3.66Å; V325-Y339 HydrophobicContact CG1-CG 3.93Å; V325-Y339 HydrophobicContact CG2-CD2 4.4Å; V325-Y339 HydrophobicContact CG2-CE2 4.03Å; V325-L340 WeakPolarHBondContact CA-O 3.22Å; V325-E341 HydrophobicContact CG2-CG 4.17Å
326	Y	96.3	Very high	95	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	170.1	-176.8	65.1	-79	0	0	0	112.9	P298 L340 C352 S384 S385	P298-Y326 HydrophobicContact CB-CD1 3.91Å; P298-Y326 HydrophobicContact CB-CD2 4.42Å; P298-Y326 HydrophobicContact CB-CE1 3.43Å; P298-Y326 VanDerWaalsContact CB-CE1 3.43Å; P298-Y326 HydrophobicContact CB-CE2 3.99Å; P298-Y326 HydrophobicContact CB-CG 4.38Å; P298-Y326 VanDerWaalsContact CB-CZ 3.45Å; P298-Y326 HydrophobicContact CG-CE1 4.49Å; Y326-L340 HydrophobicContact CD1-CB 4.22Å; Y326-L340 HydrophobicContact CD2-CB 4.22Å; Y326-L340 HydrophobicContact CD2-CD1 4.32Å; Y326-L340 HydrophobicContact CE1-CB 3.81Å; Y326-L340 HydrophobicContact CE2-CB 3.82Å; Y326-L340 HydrophobicContact CE2-CD1 3.55Å; Y326-L340 HydrophobicContact CE2-CG 4.31Å; Y326-L340 HydrophobicContact CG-CB 4.41Å; Y326-L340 PolarHBondContact N-O 3.46Å; Y326-L340 PolarHBondContact O-N 3.31Å; Y326-C352 PolarHBondContact OH-SG 2.98Å; Y326-S384 PolarHBondContact OH-O 3.28Å; Y326-S385 WeakPolarHBondContact CE2-O 3.33Å
327	S	95.4	Very high	95.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.5	53.9	177.5	-173.2	0	0	0	0	115.1	R329 Q386 L387	S327-R329 PolarHBondContact OG-NH2 2.88Å; S327-Q386 WeakPolarHBondContact OG-CG 3.46Å; S327-L387 WeakPolarHBondContact OG-CB 3.44Å; S327-L387 PolarHBondContact OG-N 3.12Å
328	P	96.8	Very high	95.4	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.019	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	143.3	-178.9	32.7	-36.1	0	0	0	112.1	Q270 F272 I283 L304 I337 I338	Q270-P328 VanDerWaalsContact OE1-CD 3.29Å; F272-P328 HydrophobicContact CD1-CG 4.31Å; F272-P328 HydrophobicContact CE1-CB 3.74Å; F272-P328 HydrophobicContact CE1-CG 3.68Å; F272-P328 HydrophobicContact CZ-CB 4.34Å; I283-P328 HydrophobicContact CD1-CB 4.42Å; I283-P328 HydrophobicContact CD1-CG 3.84Å; I283-P328 VanDerWaalsContact CG1-CD 3.5Å; I283-P328 HydrophobicContact CG1-CG 3.77Å; L304-P328 HydrophobicContact CD1-CB 3.83Å; L304-P328 HydrophobicContact CD1-CG 4.12Å; P328-I337 HydrophobicContact CB-CG2 3.93Å; P328-I338 CarbonylContact C-O 3.59Å; P328-I338 WeakPolarHBondContact CA-O 3.29Å
329	R	96.4	Very high	95.5	Very high	24 Å²	24	29 Å²	29	9%	0.091	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	120.2	178.1	-55	-69.6	178.4	-105.8	11	110.7	S327 I337 I338 L387 S388 P389 W392	S327-R329 PolarHBondContact OG-NH2 2.88Å; R329-I337 WeakPolarHBondContact O-CA 3.37Å; R329-I338 HydrophobicContact CB-CD1 4.12Å; R329-I338 HydrophobicContact CB-CG1 3.74Å; R329-I338 HydrophobicContact CG-CG1 4.44Å; R329-I338 PolarHBondContact N-O 2.67Å; R329-I338 WeakPolarHBondContact O-CG1 3.5Å; R329-I338 PolarHBondContact O-N 3.46Å; R329-L387 HydrophobicContact CG-CB 4.06Å; R329-L387 HydrophobicContact CG-CD1 3.99Å; R329-L387 PolarHBondContact NH2-O 2.83Å; R329-S388 WeakPolarHBondContact CD-O 3.44Å; R329-S388 PolarHBondContact NE-O 2.88Å; R329-P389 WeakPolarHBondContact CD-O 3.34Å; R329-W392 PolarHBondContact O-NE1 3.23Å
330	L	96.7	Very high	95.6	Very high	35 Å²	35	28.3 Å²	28.3	18%	0.183	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	136.8	174	-172	62.9	0	0	0	110.5	F272 P275 Q334 R336 I337 W392	F272-L330 HydrophobicContact CD2-CB 4.07Å; F272-L330 HydrophobicContact CD2-CD2 4.38Å; F272-L330 HydrophobicContact CE2-CB 3.76Å; F272-L330 HydrophobicContact CE2-CD1 4.39Å; F272-L330 HydrophobicContact CE2-CD2 4.34Å; F272-L330 HydrophobicContact CE2-CG 4.39Å; P275-L330 HydrophobicContact CG-CD1 4.04Å; L330-Q334 HydrophobicContact CD2-CB 4.33Å; L330-Q334 HydrophobicContact CD2-CG 4.09Å; L330-R336 CarbonylContact C-O 3.31Å; L330-I337 HydrophobicContact CD1-CG1 3.74Å; L330-W392 VanDerWaalsContact O-CD1 3.29Å; L330-W392 PolarHBondContact O-NE1 3.04Å
331	S	96.8	Very high	96	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.014	15%	0.148	C	C	.	.			trans	-69.5	151.1	173.8	58.3	0	0	0	0	111.5	D333 Q334 C335 R336	S331-D333 VanDerWaalsContact CB-OD1 3.29Å; S331-D333 WeakPolarHBondContact CB-OD1 3.28Å; S331-D333 PolarHBondContact O-N 2.9Å; S331-D333 PolarHBondContact OG-OD1 3.42Å; S331-Q334 WeakPolarHBondContact O-CA 3.36Å; S331-Q334 PolarHBondContact O-N 3.33Å; S331-C335 PolarHBondContact OG-N 2.96Å; S331-R336 PolarHBondContact N-O 3.03Å; S331-R336 PolarHBondContact OG-N 3.26Å; S331-R336 PolarHBondContact OG-O 3.34Å; S331-R336 VanDerWaalsContact OG-O 3.11Å
332	P	95.2	Very high	96.3	Very high	73 Å²	73	24.8 Å²	24.8	47%	0.474	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-34.8	179	-29.2	33.8	0	0	0	114.8	Q334 W392 S396	P332-Q334 PolarHBondContact O-N 2.93Å; P332-W392 HydrophobicContact CG-CB 3.86Å; P332-S396 VanDerWaalsContact CD-OG 3.3Å; P332-S396 WeakPolarHBondContact CD-OG 3.33Å
333	D	95.4	Very high	96.5	Very high	73 Å²	73	22.7 Å²	22.7	39%	0.39	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-2.2	174.9	71.3	-8.9	0	0	0	114.1	S331 C335 S396	S331-D333 VanDerWaalsContact CB-OD1 3.29Å; S331-D333 WeakPolarHBondContact CB-OD1 3.28Å; S331-D333 PolarHBondContact O-N 2.9Å; S331-D333 PolarHBondContact OG-OD1 3.42Å; D333-C335 PolarHBondContact O-N 3.26Å; D333-C335 PolarHBondContact O-SG 2.92Å; D333-C335 WeakPolarHBondContact OD1-CB 3.49Å; D333-C335 PolarHBondContact OD1-N 2.91Å; D333-C335 WeakPolarHBondContact OD2-CB 3.24Å; D333-C335 PolarHBondContact OD2-SG 3.16Å; D333-S396 PolarHBondContact N-OG 2.87Å; D333-S396 VanDerWaalsContact N-OG 3.11Å
334	Q	95.2	Very high	96.5	Very high	54 Å²	54	23.1 Å²	23.1	25%	0.252	13%	0.126	S	C	.	.	S	Bend	trans	59.7	18.8	-176.9	-54.5	177.5	40.2	0	0	114.3	H178 P275 G276 L330 S331 P332	H178-Q334 PolarHBondContact CD2-NE2 3.49Å; P275-Q334 HydrophobicContact CB-CB 3.9Å; P275-Q334 WeakPolarHBondContact CB-O 3.5Å; P275-Q334 HydrophobicContact CG-CB 4.03Å; P275-Q334 WeakPolarHBondContact CG-O 3.47Å; G276-Q334 VanDerWaalsContact N-OE1 3.12Å; L330-Q334 HydrophobicContact CD2-CB 4.33Å; L330-Q334 HydrophobicContact CD2-CG 4.09Å; S331-Q334 WeakPolarHBondContact O-CA 3.36Å; S331-Q334 PolarHBondContact O-N 3.33Å; P332-Q334 PolarHBondContact O-N 2.93Å
335	C	96.4	Very high	96.3	Very high	29 Å²	29	26.2 Å²	26.2	20%	0.196	14%	0.138	C	C	.	.	S	Bend	trans	-90.5	-23.4	-178.8	-61.6	0	0	0	0	113.3	S331 D333 W359 Y360	S331-C335 PolarHBondContact OG-N 2.96Å; D333-C335 PolarHBondContact O-N 3.26Å; D333-C335 PolarHBondContact O-SG 2.92Å; D333-C335 WeakPolarHBondContact OD1-CB 3.49Å; D333-C335 PolarHBondContact OD1-N 2.91Å; D333-C335 WeakPolarHBondContact OD2-CB 3.24Å; D333-C335 PolarHBondContact OD2-SG 3.16Å; C335-W359 VanDerWaalsContact O-CB 3.29Å; C335-W359 WeakPolarHBondContact O-CB 3.38Å; C335-W359 PolarHBondContact O-N 3.19Å; C335-Y360 HydrophobicContact CB-CD2 4.35Å; C335-Y360 HydrophobicContact CB-CE2 4.02Å
336	R	97.6	Very high	96.2	Very high	73 Å²	73	27.1 Å²	27.1	28%	0.275	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	145.6	-166.2	-51.8	-174.6	-168.5	-163.4	-0.7	112.2	L330 S331 M356 Y357 W392	L330-R336 CarbonylContact C-O 3.31Å; S331-R336 PolarHBondContact N-O 3.03Å; S331-R336 PolarHBondContact OG-N 3.26Å; S331-R336 PolarHBondContact OG-O 3.34Å; S331-R336 VanDerWaalsContact OG-O 3.11Å; R336-M356 HydrophobicContact CB-CG 4.21Å; R336-M356 HydrophobicContact CB-SD 4.35Å; R336-M356 WeakPolarHBondContact CD-SD 3.39Å; R336-M356 HydrophobicContact CG-SD 4.44Å; R336-Y357 CarbonylContact C-O 3.54Å; R336-Y357 WeakPolarHBondContact CA-O 3.5Å; R336-W392 HydrophobicContact CB-CH2 4.32Å; R336-W392 HydrophobicContact CB-CZ2 4.49Å
337	I	98.1	Very high	96.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	117.8	173.6	-59.3	164	0	0	0	107.2	F272 V281 L304 P328 R329 L330 M356 Y357 W359	F272-I337 HydrophobicContact CE2-CD1 4.28Å; F272-I337 HydrophobicContact CE2-CG1 4.35Å; F272-I337 HydrophobicContact CZ-CD1 3.99Å; F272-I337 HydrophobicContact CZ-CG1 4.12Å; F272-I337 HydrophobicContact CZ-CG2 4Å; V281-I337 HydrophobicContact CG1-CD1 4.27Å; V281-I337 HydrophobicContact CG2-CD1 4.28Å; L304-I337 HydrophobicContact CD2-CD1 4.48Å; L304-I337 HydrophobicContact CD2-CG2 4.18Å; P328-I337 HydrophobicContact CB-CG2 3.93Å; R329-I337 WeakPolarHBondContact O-CA 3.37Å; L330-I337 HydrophobicContact CD1-CG1 3.74Å; I337-M356 CarbonylContact O-C 3.54Å; I337-M356 WeakPolarHBondContact O-CA 3.44Å; I337-Y357 HydrophobicContact CD1-CD1 4.21Å; I337-Y357 PolarHBondContact N-O 3.47Å; I337-Y357 PolarHBondContact O-N 3.21Å; I337-W359 HydrophobicContact CD1-CE3 3.98Å; I337-W359 HydrophobicContact CD1-CZ3 4.21Å
338	I	98.1	Very high	96.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	152	166.9	57.7	174.5	0	0	0	110.2	P328 R329 L354 C355 M356 L387 W392 V399	P328-I338 CarbonylContact C-O 3.59Å; P328-I338 WeakPolarHBondContact CA-O 3.29Å; R329-I338 HydrophobicContact CB-CD1 4.12Å; R329-I338 HydrophobicContact CB-CG1 3.74Å; R329-I338 HydrophobicContact CG-CG1 4.44Å; R329-I338 PolarHBondContact N-O 2.67Å; R329-I338 WeakPolarHBondContact O-CG1 3.5Å; R329-I338 PolarHBondContact O-N 3.46Å; I338-L354 HydrophobicContact CB-CD1 4.06Å; I338-L354 HydrophobicContact CD1-CD1 4.44Å; I338-C355 CarbonylContact C-O 3.06Å; I338-C355 WeakPolarHBondContact CA-O 3.42Å; I338-M356 HydrophobicContact CG2-CB 4.09Å; I338-M356 HydrophobicContact CG2-CG 4.1Å; I338-L387 HydrophobicContact CD1-CD1 3.87Å; I338-L387 HydrophobicContact CG1-CD1 4.18Å; I338-W392 HydrophobicContact CB-CZ2 3.94Å; I338-W392 HydrophobicContact CD1-CZ2 3.91Å; I338-W392 HydrophobicContact CG1-CZ2 3.68Å; I338-W392 HydrophobicContact CG2-CH2 3.55Å; I338-W392 HydrophobicContact CG2-CZ2 3.27Å; I338-V399 HydrophobicContact CD1-CB 4.15Å; I338-V399 HydrophobicContact CD1-CG1 3.5Å; I338-V399 HydrophobicContact CD1-CG2 3.5Å; I338-V399 VanDerWaalsContact CD1-CG2 3.5Å; I338-V399 HydrophobicContact CG2-CG2 4.43Å
339	Y	97.9	Very high	96.1	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.008	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	164.8	173.8	59	-94.8	0	0	0	110.7	L304 V325 E341 C355 T364	L304-Y339 HydrophobicContact CD2-CD1 4.38Å; L304-Y339 HydrophobicContact CD2-CE1 4.46Å; V325-Y339 HydrophobicContact CB-CD2 4.41Å; V325-Y339 HydrophobicContact CB-CE2 4.48Å; V325-Y339 HydrophobicContact CG1-CD2 3.36Å; V325-Y339 HydrophobicContact CG1-CE2 3.66Å; V325-Y339 HydrophobicContact CG1-CG 3.93Å; V325-Y339 HydrophobicContact CG2-CD2 4.4Å; V325-Y339 HydrophobicContact CG2-CE2 4.03Å; Y339-E341 HydrophobicContact CD2-CB 4.44Å; Y339-E341 HydrophobicContact CE2-CB 4.2Å; Y339-C355 HydrophobicContact CD1-CB 4.34Å; Y339-C355 HydrophobicContact CD2-CB 3.81Å; Y339-C355 HydrophobicContact CE1-CB 3.91Å; Y339-C355 HydrophobicContact CE2-CB 3.35Å; Y339-C355 HydrophobicContact CG-CB 4.31Å; Y339-C355 VanDerWaalsContact CZ-CB 3.41Å; Y339-C355 PolarHBondContact N-O 3.13Å; Y339-C355 PolarHBondContact O-N 3.33Å; Y339-T364 WeakPolarHBondContact OH-CG2 3.41Å
340	L	97.8	Very high	96	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	139.7	174.3	-63	176.1	0	0	0	110	V325 Y326 C352 K353 L354 I382 L387	V325-L340 WeakPolarHBondContact CA-O 3.22Å; Y326-L340 HydrophobicContact CD1-CB 4.22Å; Y326-L340 HydrophobicContact CD2-CB 4.22Å; Y326-L340 HydrophobicContact CD2-CD1 4.32Å; Y326-L340 HydrophobicContact CE1-CB 3.81Å; Y326-L340 HydrophobicContact CE2-CB 3.82Å; Y326-L340 HydrophobicContact CE2-CD1 3.55Å; Y326-L340 HydrophobicContact CE2-CG 4.31Å; Y326-L340 HydrophobicContact CG-CB 4.41Å; Y326-L340 PolarHBondContact N-O 3.46Å; Y326-L340 PolarHBondContact O-N 3.31Å; L340-C352 HydrophobicContact CB-CB 4.4Å; L340-C352 HydrophobicContact CD2-CB 4.21Å; L340-K353 WeakPolarHBondContact CA-O 3.29Å; L340-L354 HydrophobicContact CD2-CD1 4.25Å; L340-I382 HydrophobicContact CD2-CG2 4.03Å; L340-L387 HydrophobicContact CD1-CD2 4.2Å; L340-L387 HydrophobicContact CD1-CG 4.11Å; L340-L387 HydrophobicContact CD2-CD2 4.12Å; L340-L387 HydrophobicContact CD2-CG 4.44Å; L340-L387 HydrophobicContact CG-CD1 4.43Å; L340-L387 HydrophobicContact CG-CD2 4.26Å; L340-L387 HydrophobicContact CG-CG 4.09Å
341	E	97.5	Very high	96	Very high	23 Å²	23	26.3 Å²	26.3	11%	0.107	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	134.8	178.3	-175.6	-175.1	109	0	0	110.7	A324 V325 Y339 C352 K353	A324-E341 CarbonylContact O-C 3.5Å; A324-E341 VanDerWaalsContact O-CA 3.3Å; A324-E341 WeakPolarHBondContact O-CA 3.5Å; V325-E341 HydrophobicContact CG2-CG 4.17Å; Y339-E341 HydrophobicContact CD2-CB 4.44Å; Y339-E341 HydrophobicContact CE2-CB 4.2Å; E341-C352 WeakPolarHBondContact O-CA 3.23Å; E341-K353 HydrophobicContact CB-CB 4.35Å; E341-K353 PolarHBondContact N-O 2.92Å; E341-K353 PolarHBondContact O-N 3.35Å; E341-K353 IonicContact OE1-NZ 2.74Å
342	C	96.1	Very high	96	Very high	8 Å²	8	26.2 Å²	26.2	5%	0.054	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	176.3	169.7	64.1	0	0	0	0	111.5	A324	A324-C342 PolarHBondContact N-O 3.26Å; A324-C342 PolarHBondContact O-N 2.86Å
343	S	94.6	Very high	96.1	Very high	57 Å²	57	25.2 Å²	25.2	40%	0.399	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	146.1	173.4	49.6	0	0	0	0	110.8	Q350	S343-Q350 PolarHBondContact OG-NE2 3.18Å; S343-Q350 VanDerWaalsContact OG-NE2 3.09Å; S343-Q350 PolarHBondContact OG-OE1 3.04Å
344	V	94.8	Very high	96.2	Very high	26 Å²	26	21.8 Å²	21.8	16%	0.158	11%	0.113	C	C	.	.	S	Bend	trans	-75.2	142.4	169.3	-172.8	0	0	0	0	108.5	R301 T322 S323 A324	R301-V344 HydrophobicContact CB-CG1 3.88Å; R301-V344 HydrophobicContact CB-CG2 4.22Å; R301-V344 HydrophobicContact CG-CG2 4.3Å; T322-V344 WeakPolarHBondContact O-CG2 3.2Å; S323-V344 VanDerWaalsContact O-CG2 3.29Å; S323-V344 WeakPolarHBondContact O-CG2 3.25Å; A324-V344 HydrophobicContact CB-CG2 4.26Å
345	Y	92.8	Very high	96.4	Very high	64 Å²	64	19.2 Å²	19.2	25%	0.251	10%	0.101	S	C	.	.	S	Bend	trans	60	-159.6	-174.7	-44.7	-59	0	0	0	111.5	L292 N299 Q350 Y659 P661	L292-Y345 HydrophobicContact CD1-CE1 4Å; N299-Y345 WeakPolarHBondContact CB-O 3.17Å; N299-Y345 PolarHBondContact ND2-O 2.71Å; N299-Y345 PolarHBondContact O-N 3.2Å; Y345-Q350 PolarHBondContact O-NE2 3.43Å; Y345-Y659 AromaticContact CD1-CD1 3.73Å; Y345-Y659 HydrophobicContact CD1-CD1 3.73Å; Y345-Y659 HydrophobicContact CD1-CE1 4.24Å; Y345-Y659 AromaticContact CE1-CD1 3.98Å; Y345-Y659 HydrophobicContact CE1-CD1 3.98Å; Y345-Y659 HydrophobicContact CE1-CE1 4.1Å; Y345-Y659 HydrophobicContact CG-CD1 4.27Å; Y345-P661 WeakPolarHBondContact OH-CD 3.36Å; Y345-P661 WeakPolarHBondContact OH-CG 3.42Å
346	G	94.5	Very high	96.5	Very high	20 Å²	20	18.5 Å²	18.5	21%	0.206	10%	0.095	C	C	.	.	S	Bend	trans	64.9	-155.2	-171.4	0	0	0	0	0	111.9	N299 H348 V653	N299-G346 PolarHBondContact ND2-O 3.17Å; G346-H348 PolarHBondContact O-N 2.96Å; G346-V653 VanDerWaalsContact C-CG1 3.49Å
347	P	95.9	Very high	96.5	Very high	4 Å²	4	15.4 Å²	15.4	3%	0.026	8%	0.083	C	C	.	.	S	Bend	trans	-55.1	138.1	-177	-19	24.6	0	0	0	111.6	N299 M349 Q350 H534 V571 L572 L575	N299-P347 PolarHBondContact ND2-O 3.29Å; P347-M349 VanDerWaalsContact C-N 3.3Å; P347-M349 PolarHBondContact O-N 3.15Å; P347-Q350 HydrophobicContact CB-CG 3.56Å; P347-Q350 HydrophobicContact CG-CG 3.9Å; P347-Q350 WeakPolarHBondContact O-CG 3.38Å; P347-Q350 PolarHBondContact O-NE2 2.87Å; P347-H534 VanDerWaalsContact CB-CD2 3.47Å; P347-H534 WeakPolarHBondContact CB-CD2 3.26Å; P347-V571 HydrophobicContact CB-CG1 3.54Å; P347-V571 HydrophobicContact CG-CG1 3.66Å; P347-L572 HydrophobicContact CG-CD2 4.26Å; P347-L575 HydrophobicContact CG-CD1 3.91Å; P347-L575 HydrophobicContact CG-CD2 4.15Å; P347-L575 HydrophobicContact CG-CG 4.34Å
348	H	94.9	Very high	96.5	Very high	11 Å²	11	17.1 Å²	17.1	5%	0.051	9%	0.093	C	C	.	.	S	Bend	trans	-65	-35.7	-175	-82	-138.5	0	0	0	113.1	C297 P298 R300 G346 D649 W650	C297-H348 PolarHBondContact SG-ND1 3.23Å; P298-H348 WeakPolarHBondContact CD-O 3.36Å; P298-H348 WeakPolarHBondContact CG-O 3.32Å; R300-H348 PolarHBondContact NH2-CE1 2.9Å; R300-H348 VanDerWaalsContact NH2-CE1 3.33Å; G346-H348 PolarHBondContact O-N 2.96Å; H348-D649 IonicContact CD2-OD2 3.72Å; H348-D649 IonicContact CE1-OD1 3.13Å; H348-D649 IonicContact CE1-OD2 3.76Å; H348-D649 VanDerWaalsContact NE2-CG 3.27Å; H348-D649 IonicContact NE2-OD1 3.33Å; H348-D649 PolarHBondContact NE2-OD1 3.13Å; H348-D649 IonicContact NE2-OD2 2.72Å; H348-D649 PolarHBondContact NE2-OD2 3.19Å; H348-W650 AromaticContact CD2-CD1 3.97Å; H348-W650 AromaticContact CG-CD1 3.89Å
349	M	94.9	Very high	96.4	Very high	19 Å²	19	18.1 Å²	18.1	9%	0.094	10%	0.097	C	C	.	.	S	Bend	trans	-121.1	131.2	171.1	-69.1	-69.2	-60.3	0	0	108.5	P298 P347 H534 L564	P298-M349 WeakPolarHBondContact CD-SD 3.43Å; P298-M349 HydrophobicContact CG-SD 3.56Å; P298-M349 VanDerWaalsContact CG-SD 3.56Å; P347-M349 VanDerWaalsContact C-N 3.3Å; P347-M349 PolarHBondContact O-N 3.15Å; M349-H534 HydrophobicContact CB-CB 4Å; M349-H534 WeakPolarHBondContact CB-O 3.14Å; M349-L564 HydrophobicContact CB-CD1 3.92Å; M349-L564 HydrophobicContact CB-CD2 3.93Å; M349-L564 HydrophobicContact CB-CG 4.5Å; M349-L564 HydrophobicContact CE-CD1 4.08Å; M349-L564 HydrophobicContact CG-CD1 4.4Å
350	Q	94.4	Very high	96.2	Very high	13 Å²	13	25.6 Å²	25.6	6%	0.061	13%	0.126	C	C	.	.			trans	-137.5	165	-175.2	-66.4	-179.2	75.2	0	0	110.1	S343 Y345 P347 C352	S343-Q350 PolarHBondContact OG-NE2 3.18Å; S343-Q350 VanDerWaalsContact OG-NE2 3.09Å; S343-Q350 PolarHBondContact OG-OE1 3.04Å; Y345-Q350 PolarHBondContact O-NE2 3.43Å; P347-Q350 HydrophobicContact CB-CG 3.56Å; P347-Q350 HydrophobicContact CG-CG 3.9Å; P347-Q350 WeakPolarHBondContact O-CG 3.38Å; P347-Q350 PolarHBondContact O-NE2 2.87Å; Q350-C352 PolarHBondContact O-N 3.2Å; Q350-C352 PolarHBondContact O-SG 3.37Å
351	C	97.1	Very high	96.1	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.007	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-62.6	127.1	164.3	-175.5	0	0	0	0	108.5	I370 V371 I382 Y383 Q568	C351-I370 HydrophobicContact CB-CG2 4.07Å; C351-V371 PolarHBondContact SG-N 3.32Å; C351-V371 VanDerWaalsContact SG-N 3.41Å; C351-I382 WeakPolarHBondContact CA-O 3.3Å; C351-Y383 HydrophobicContact CB-CD1 4.36Å; C351-Y383 HydrophobicContact CB-CE1 3.64Å; C351-Q568 HydrophobicContact CB-CB 3.98Å; C351-Q568 HydrophobicContact CB-CG 4.5Å
352	C	96.4	Very high	96	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-99.8	151.7	-176.3	-56	0	0	0	0	110.5	Y326 L340 E341 Q350 I382	Y326-C352 PolarHBondContact OH-SG 2.98Å; L340-C352 HydrophobicContact CB-CB 4.4Å; L340-C352 HydrophobicContact CD2-CB 4.21Å; E341-C352 WeakPolarHBondContact O-CA 3.23Å; Q350-C352 PolarHBondContact O-N 3.2Å; Q350-C352 PolarHBondContact O-SG 3.37Å; C352-I382 PolarHBondContact N-O 3.23Å
353	K	97.8	Very high	96	Very high	53 Å²	53	39.9 Å²	39.9	23%	0.23	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	145.2	159.5	-58	-178.7	-173	170.7	0	109.2	L340 E341 V366 V368 D369 I370	L340-K353 WeakPolarHBondContact CA-O 3.29Å; E341-K353 HydrophobicContact CB-CB 4.35Å; E341-K353 PolarHBondContact N-O 2.92Å; E341-K353 PolarHBondContact O-N 3.35Å; E341-K353 IonicContact OE1-NZ 2.74Å; K353-V366 HydrophobicContact CB-CG1 4.33Å; K353-V366 HydrophobicContact CD-CG1 4.25Å; K353-V366 HydrophobicContact CD-CG2 4.26Å; K353-V366 HydrophobicContact CG-CG1 4.49Å; K353-V368 CarbonylContact C-O 3.49Å; K353-V368 VanDerWaalsContact CA-O 3.22Å; K353-V368 WeakPolarHBondContact CA-O 3.28Å; K353-D369 WeakPolarHBondContact CE-OD1 3.35Å; K353-I370 HydrophobicContact CG-CD1 4.34Å; K353-I370 HydrophobicContact CG-CG1 3.81Å
354	L	98.5	Very high	96.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	109.7	160.6	-179	64.4	0	0	0	107.6	I338 L340 V367 V368 I382 L387 V414	I338-L354 HydrophobicContact CB-CD1 4.06Å; I338-L354 HydrophobicContact CD1-CD1 4.44Å; L340-L354 HydrophobicContact CD2-CD1 4.25Å; L354-V367 HydrophobicContact CD2-CB 4.35Å; L354-V367 HydrophobicContact CD2-CG1 4.29Å; L354-V367 HydrophobicContact CG-CB 4.31Å; L354-V367 WeakPolarHBondContact O-CA 3.28Å; L354-V367 WeakPolarHBondContact O-CB 3.39Å; L354-V367 PolarHBondContact O-N 3.18Å; L354-V368 HydrophobicContact CB-CB 4.04Å; L354-V368 HydrophobicContact CB-CG2 4.36Å; L354-V368 HydrophobicContact CD2-CG2 4.43Å; L354-V368 PolarHBondContact N-O 3.43Å; L354-V368 PolarHBondContact O-N 2.99Å; L354-I382 HydrophobicContact CB-CD1 3.81Å; L354-L387 HydrophobicContact CD1-CD1 4.28Å; L354-V414 HydrophobicContact CD2-CB 4.28Å; L354-V414 HydrophobicContact CD2-CG1 4Å; L354-V414 HydrophobicContact CD2-CG2 4.31Å
355	C	98.3	Very high	96.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	154.7	178.4	-65.8	0	0	0	0	110.1	I338 Y339 T364 S365	I338-C355 CarbonylContact C-O 3.06Å; I338-C355 WeakPolarHBondContact CA-O 3.42Å; Y339-C355 HydrophobicContact CD1-CB 4.34Å; Y339-C355 HydrophobicContact CD2-CB 3.81Å; Y339-C355 HydrophobicContact CE1-CB 3.91Å; Y339-C355 HydrophobicContact CE2-CB 3.35Å; Y339-C355 HydrophobicContact CG-CB 4.31Å; Y339-C355 VanDerWaalsContact CZ-CB 3.41Å; Y339-C355 PolarHBondContact N-O 3.13Å; Y339-C355 PolarHBondContact O-N 3.33Å; C355-T364 HydrophobicContact CB-CG2 4.38Å; C355-S365 CarbonylContact C-O 3.55Å; C355-S365 WeakPolarHBondContact CA-O 3.26Å
356	M	98.1	Very high	96.5	Very high	15 Å²	15	42 Å²	42	7%	0.074	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	119.7	178	-177.1	176.5	69.2	0	0	110.2	R336 I337 I338 T364 S365 V367 W392 T416	R336-M356 HydrophobicContact CB-CG 4.21Å; R336-M356 HydrophobicContact CB-SD 4.35Å; R336-M356 WeakPolarHBondContact CD-SD 3.39Å; R336-M356 HydrophobicContact CG-SD 4.44Å; I337-M356 CarbonylContact O-C 3.54Å; I337-M356 WeakPolarHBondContact O-CA 3.44Å; I338-M356 HydrophobicContact CG2-CB 4.09Å; I338-M356 HydrophobicContact CG2-CG 4.1Å; M356-T364 CarbonylContact O-C 3.59Å; M356-T364 WeakPolarHBondContact O-CA 3.44Å; M356-S365 PolarHBondContact N-O 3Å; M356-S365 PolarHBondContact O-N 3.13Å; M356-S365 PolarHBondContact O-OG 2.61Å; M356-V367 HydrophobicContact CB-CG2 3.57Å; M356-V367 HydrophobicContact CE-CG2 4.38Å; M356-V367 HydrophobicContact SD-CG2 4.38Å; M356-W392 HydrophobicContact SD-CH2 4.36Å; M356-T416 HydrophobicContact SD-CG2 4.48Å
357	Y	98.1	Very high	96.6	Very high	7 Å²	7	41.9 Å²	41.9	3%	0.027	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.1	172.9	178.4	-93.3	0	0	0	110	L318 R336 I337 W359 K362 T364	L318-Y357 HydrophobicContact CB-CE2 4.2Å; L318-Y357 HydrophobicContact CD1-CE1 4.15Å; R336-Y357 CarbonylContact C-O 3.54Å; R336-Y357 WeakPolarHBondContact CA-O 3.5Å; I337-Y357 HydrophobicContact CD1-CD1 4.21Å; I337-Y357 PolarHBondContact N-O 3.47Å; I337-Y357 PolarHBondContact O-N 3.21Å; Y357-W359 AromaticContact CE1-CE3 3.96Å; Y357-W359 HydrophobicContact CE1-CE3 3.96Å; Y357-K362 WeakPolarHBondContact OH-CD 3.48Å; Y357-T364 WeakPolarHBondContact CD2-OG1 3.29Å
358	D	97.5	Very high	96.8	Very high	37 Å²	37	41.8 Å²	41.8	20%	0.198	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	121.5	175.3	179.5	-70.1	0	0	0	110.2	Y360 T361 K362 K363	D358-Y360 VanDerWaalsContact C-N 3.31Å; D358-Y360 PolarHBondContact O-N 2.77Å; D358-Y360 PolarHBondContact OD1-N 3.42Å; D358-Y360 VanDerWaalsContact OD1-N 3.11Å; D358-T361 VanDerWaalsContact CB-OG1 3.25Å; D358-T361 WeakPolarHBondContact CB-OG1 3.33Å; D358-T361 WeakPolarHBondContact OD1-CB 3.37Å; D358-T361 WeakPolarHBondContact OD1-CG2 3.46Å; D358-T361 PolarHBondContact OD1-N 3.37Å; D358-T361 PolarHBondContact OD1-OG1 3.02Å; D358-K362 VanDerWaalsContact O-CA 3.29Å; D358-K362 WeakPolarHBondContact O-CA 3.28Å; D358-K362 PolarHBondContact O-N 3.11Å; D358-K363 PolarHBondContact N-O 3.35Å
359	W	95.9	Very high	96.9	Very high	21 Å²	21	45.4 Å²	45.4	8%	0.08	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-31.8	-170.5	-175.2	-106.8	0	0	0	113.6	A274 P275 V281 Y306 L318 C335 I337 Y357 K362	A274-W359 HydrophobicContact CB-CH2 3.69Å; A274-W359 HydrophobicContact CB-CZ2 3.88Å; P275-W359 HydrophobicContact CB-CD2 4.45Å; P275-W359 HydrophobicContact CB-CG 4.3Å; P275-W359 HydrophobicContact CG-CB 4.38Å; P275-W359 HydrophobicContact CG-CD2 3.66Å; P275-W359 HydrophobicContact CG-CE3 4.29Å; P275-W359 HydrophobicContact CG-CG 3.66Å; P275-W359 HydrophobicContact CG-CZ2 4.42Å; V281-W359 HydrophobicContact CG2-CH2 4.16Å; V281-W359 HydrophobicContact CG2-CZ3 3.83Å; Y306-W359 HydrophobicContact CD1-CH2 4.4Å; Y306-W359 AromaticContact CD2-CH2 3.65Å; Y306-W359 HydrophobicContact CD2-CH2 3.65Å; Y306-W359 HydrophobicContact CD2-CZ3 4.45Å; Y306-W359 HydrophobicContact CE1-CH2 4.42Å; Y306-W359 AromaticContact CE2-CH2 3.65Å; Y306-W359 HydrophobicContact CE2-CH2 3.65Å; Y306-W359 HydrophobicContact CE2-CZ2 4.17Å; Y306-W359 HydrophobicContact CG-CH2 4.03Å; L318-W359 HydrophobicContact CD1-CZ3 4.35Å; C335-W359 VanDerWaalsContact O-CB 3.29Å; C335-W359 WeakPolarHBondContact O-CB 3.38Å; C335-W359 PolarHBondContact O-N 3.19Å; I337-W359 HydrophobicContact CD1-CE3 3.98Å; I337-W359 HydrophobicContact CD1-CZ3 4.21Å; Y357-W359 AromaticContact CE1-CE3 3.96Å; Y357-W359 HydrophobicContact CE1-CE3 3.96Å; W359-K362 WeakPolarHBondContact O-CD 3.47Å; W359-K362 WeakPolarHBondContact O-CE 3.3Å; W359-K362 PolarHBondContact O-NZ 2.85Å
360	Y	94.1	Very high	97	Very high	158 Å²	158	48 Å²	48	62%	0.62	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-42.9	-174	-64.2	-75.7	0	0	0	112.1	C335 D358 K362	C335-Y360 HydrophobicContact CB-CD2 4.35Å; C335-Y360 HydrophobicContact CB-CE2 4.02Å; D358-Y360 VanDerWaalsContact C-N 3.31Å; D358-Y360 PolarHBondContact O-N 2.77Å; D358-Y360 PolarHBondContact OD1-N 3.42Å; D358-Y360 VanDerWaalsContact OD1-N 3.11Å; Y360-K362 VanDerWaalsContact C-N 3.32Å
361	T	96.2	Very high	97.2	Very high	80 Å²	80	47.6 Å²	47.6	49%	0.491	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-14.7	178.9	65.7	0	0	0	0	112.7	D358 K363	D358-T361 VanDerWaalsContact CB-OG1 3.25Å; D358-T361 WeakPolarHBondContact CB-OG1 3.33Å; D358-T361 WeakPolarHBondContact OD1-CB 3.37Å; D358-T361 WeakPolarHBondContact OD1-CG2 3.46Å; D358-T361 PolarHBondContact OD1-N 3.37Å; D358-T361 PolarHBondContact OD1-OG1 3.02Å; T361-K363 PolarHBondContact O-N 3.01Å
362	K	95.4	Very high	97.2	Very high	100 Å²	100	48.7 Å²	48.7	44%	0.435	25%	0.251	S	S	.	.			trans	59.9	27.1	-178	-50.3	-65.8	179.6	-169.2	0	112.7	Y357 D358 W359 Y360	Y357-K362 WeakPolarHBondContact OH-CD 3.48Å; D358-K362 VanDerWaalsContact O-CA 3.29Å; D358-K362 WeakPolarHBondContact O-CA 3.28Å; D358-K362 PolarHBondContact O-N 3.11Å; W359-K362 WeakPolarHBondContact O-CD 3.47Å; W359-K362 WeakPolarHBondContact O-CE 3.3Å; W359-K362 PolarHBondContact O-NZ 2.85Å; Y360-K362 VanDerWaalsContact C-N 3.32Å
363	K	95.9	Very high	97.2	Very high	152 Å²	152	52.7 Å²	52.7	66%	0.661	27%	0.266	S	S	*	.			trans	-106.4	140	-178.6	-70.2	-174.9	178.9	-178.1	0	111.2	D358 T361	D358-K363 PolarHBondContact N-O 3.35Å; T361-K363 PolarHBondContact O-N 3.01Å
364	T	96.8	Very high	97	Very high	65 Å²	65	53.1 Å²	53.1	40%	0.399	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	140.3	170.2	-59.1	0	0	0	0	110.4	Y339 C355 M356 Y357	Y339-T364 WeakPolarHBondContact OH-CG2 3.41Å; C355-T364 HydrophobicContact CB-CG2 4.38Å; M356-T364 CarbonylContact O-C 3.59Å; M356-T364 WeakPolarHBondContact O-CA 3.44Å; Y357-T364 WeakPolarHBondContact CD2-OG1 3.29Å
365	S	96.8	Very high	96.8	Very high	55 Å²	55	58.1 Å²	58.1	39%	0.385	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	150.4	171.7	57.5	0	0	0	0	110.6	C355 M356	C355-S365 CarbonylContact C-O 3.55Å; C355-S365 WeakPolarHBondContact CA-O 3.26Å; M356-S365 PolarHBondContact N-O 3Å; M356-S365 PolarHBondContact O-N 3.13Å; M356-S365 PolarHBondContact O-OG 2.61Å
366	V	98.2	Very high	96.5	Very high	71 Å²	71	68.2 Å²	68.2	43%	0.43	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	117.9	170.8	178.9	0	0	0	0	107.7	K353 D369	K353-V366 HydrophobicContact CB-CG1 4.33Å; K353-V366 HydrophobicContact CD-CG1 4.25Å; K353-V366 HydrophobicContact CD-CG2 4.26Å; K353-V366 HydrophobicContact CG-CG1 4.49Å; V366-D369 HydrophobicContact CG1-CB 4.04Å
367	V	98.4	Very high	96.1	Very high	17 Å²	17	72.5 Å²	72.5	10%	0.103	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-46.2	178.8	-179.4	0	0	0	0	110.5	L354 M356 V414 G419	L354-V367 HydrophobicContact CD2-CB 4.35Å; L354-V367 HydrophobicContact CD2-CG1 4.29Å; L354-V367 HydrophobicContact CG-CB 4.31Å; L354-V367 WeakPolarHBondContact O-CA 3.28Å; L354-V367 WeakPolarHBondContact O-CB 3.39Å; L354-V367 PolarHBondContact O-N 3.18Å; M356-V367 HydrophobicContact CB-CG2 3.57Å; M356-V367 HydrophobicContact CE-CG2 4.38Å; M356-V367 HydrophobicContact SD-CG2 4.38Å; V367-V414 HydrophobicContact CG1-CG1 3.73Å; V367-G419 VanDerWaalsContact O-CA 3.28Å; V367-G419 WeakPolarHBondContact O-CA 3.34Å
368	V	98.2	Very high	95.8	Very high	3 Å²	3	74.2 Å²	74.2	2%	0.018	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	123	174.6	-178.5	0	0	0	0	107.6	K353 L354 F379 I382 V414 I421	K353-V368 CarbonylContact C-O 3.49Å; K353-V368 VanDerWaalsContact CA-O 3.22Å; K353-V368 WeakPolarHBondContact CA-O 3.28Å; L354-V368 HydrophobicContact CB-CB 4.04Å; L354-V368 HydrophobicContact CB-CG2 4.36Å; L354-V368 HydrophobicContact CD2-CG2 4.43Å; L354-V368 PolarHBondContact N-O 3.43Å; L354-V368 PolarHBondContact O-N 2.99Å; V368-F379 HydrophobicContact CG1-CE1 4.02Å; V368-F379 HydrophobicContact CG1-CZ 4.16Å; V368-I382 HydrophobicContact CB-CD1 3.97Å; V368-I382 HydrophobicContact CG1-CD1 3.98Å; V368-I382 HydrophobicContact CG1-CG1 4.31Å; V368-I382 HydrophobicContact CG2-CD1 4.31Å; V368-V414 HydrophobicContact CG2-CG1 3.5Å; V368-V414 VanDerWaalsContact CG2-CG1 3.5Å; V368-V414 HydrophobicContact CG2-CG2 4.34Å; V368-I421 HydrophobicContact CG1-CD1 3.88Å; V368-I421 HydrophobicContact CG2-CD1 3.99Å; V368-I421 HydrophobicContact CG2-CG1 4.37Å
369	D	97.8	Very high	95.7	Very high	86 Å²	86	72.9 Å²	72.9	46%	0.46	38%	0.375	S	S	.	.			trans	-89.7	169	177.2	-155.2	1.7	0	0	0	111.9	K353 V366	K353-D369 WeakPolarHBondContact CE-OD1 3.35Å; V366-D369 HydrophobicContact CG1-CB 4.04Å
370	I	97.5	Very high	95.7	Very high	73 Å²	73	71.9 Å²	71.9	37%	0.374	37%	0.372	S	S	.	.			trans	-57.7	136.8	177.1	-63.9	174.8	0	0	0	110.3	C351 K353 Q568	C351-I370 HydrophobicContact CB-CG2 4.07Å; K353-I370 HydrophobicContact CG-CD1 4.34Å; K353-I370 HydrophobicContact CG-CG1 3.81Å; I370-Q568 HydrophobicContact CG2-CB 3.91Å; I370-Q568 HydrophobicContact CG2-CG 4.07Å
371	V	97.8	Very high	95.9	Very high	6 Å²	6	64.4 Å²	64.4	4%	0.036	34%	0.342	C	S	.	.			trans	-108.5	110.7	177.6	177.8	0	0	0	0	109.1	C351 R373 R375 F379 Q568	C351-V371 PolarHBondContact SG-N 3.32Å; C351-V371 VanDerWaalsContact SG-N 3.41Å; V371-R373 WeakPolarHBondContact CG1-O 3.14Å; V371-R375 HydrophobicContact CG1-CG 4.36Å; V371-F379 HydrophobicContact CG2-CD1 3.91Å; V371-F379 HydrophobicContact CG2-CE1 3.6Å; V371-Q568 WeakPolarHBondContact O-CB 3.42Å; V371-Q568 PolarHBondContact O-N 2.83Å
372	G	97.2	Very high	95.9	Very high	24 Å²	24	60.7 Å²	60.7	25%	0.247	32%	0.32	C	S	.	.	S	Bend	trans	-68.5	-50.2	177.8	0	0	0	0	0	112.7	G567 Q568 D569	G372-G567 CarbonylContact O-C 3.52Å; G372-G567 WeakPolarHBondContact O-CA 3.31Å; G372-Q568 PolarHBondContact O-N 3.11Å; G372-D569 WeakPolarHBondContact CA-OD1 3.39Å; G372-D569 WeakPolarHBondContact O-CB 3.4Å; G372-D569 PolarHBondContact O-N 2.76Å
373	R	96.4	Very high	95.9	Very high	84 Å²	84	56.2 Å²	56.2	32%	0.317	30%	0.3	S	S	.	.	S	Bend	trans	-127	152.5	177.7	-66.3	-66.9	-177.6	134.1	0.2	110.6	V371 R375 P503 G504 D569	V371-R373 WeakPolarHBondContact CG1-O 3.14Å; R373-R375 PolarHBondContact O-N 2.97Å; R373-P503 PolarHBondContact NH1-O 2.87Å; R373-P503 PolarHBondContact NH2-O 2.66Å; R373-G504 PolarHBondContact NH1-O 2.96Å; R373-D569 WeakPolarHBondContact CD-OD2 3.49Å; R373-D569 WeakPolarHBondContact CG-OD2 3.37Å; R373-D569 IonicContact CZ-OD2 3.77Å; R373-D569 IonicContact NE-OD2 3.08Å; R373-D569 PolarHBondContact NE-OD2 3.27Å; R373-D569 IonicContact NH2-OD2 3.72Å
374	P	94.8	Very high	95.7	Very high	61 Å²	61	49.6 Å²	49.6	40%	0.396	27%	0.273	S	S	.	.			trans	-48.1	130.8	173.7	-27.3	35.4	0	0	0	111.6	F379 T380	P374-F379 WeakPolarHBondContact CA-O 3.24Å; P374-T380 HydrophobicContact CB-CG2 3.96Å; P374-T380 HydrophobicContact CG-CG2 3.84Å
375	R	93.8	Very high	95.2	Very high	105 Å²	105	47.7 Å²	47.7	40%	0.396	26%	0.262	S	S	.	.			trans	-69.7	169.2	174.7	-68.1	-177	-174	179	-0.3	110.6	V371 R373 D377 G378 F379	V371-R375 HydrophobicContact CG1-CG 4.36Å; R373-R375 PolarHBondContact O-N 2.97Å; R375-D377 WeakPolarHBondContact CB-OD1 3.22Å; R375-D377 PolarHBondContact O-N 2.87Å; R375-G378 WeakPolarHBondContact O-CA 3.3Å; R375-G378 PolarHBondContact O-N 3.47Å; R375-F379 PolarHBondContact N-O 3.01Å
376	E	90.9	Very high	94.9	Very high	212 Å²	212	45.5 Å²	45.5	99%	0.991	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-30.4	176.7	-65.5	-175.9	173.6	0	0	113	G378	E376-G378 PolarHBondContact O-N 3.44Å
377	D	89.4	Confident	94.7	Very high	106 Å²	106	42.2 Å²	42.2	57%	0.567	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-1.6	174.9	64	6.6	0	0	0	113.6	R375 F379	R375-D377 WeakPolarHBondContact CB-OD1 3.22Å; R375-D377 PolarHBondContact O-N 2.87Å; D377-F379 VanDerWaalsContact OD1-CB 3.28Å; D377-F379 WeakPolarHBondContact OD1-CB 3.46Å; D377-F379 PolarHBondContact OD1-N 3.25Å
378	G	91.9	Very high	94.3	Very high	43 Å²	43	42.2 Å²	42.2	44%	0.443	23%	0.227	S	C	.	.			trans	86.5	-3.4	-178.9	0	0	0	0	0	115	R375 E376 T380	R375-G378 WeakPolarHBondContact O-CA 3.3Å; R375-G378 PolarHBondContact O-N 3.47Å; E376-G378 PolarHBondContact O-N 3.44Å; G378-T380 WeakPolarHBondContact O-CG2 3.35Å; G378-T380 PolarHBondContact O-N 3.42Å
379	F	95.9	Very high	93.8	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.035	25%	0.247	C	C	.	.			trans	-67.3	127.3	179.2	176.8	-115.3	0	0	0	111.3	V368 V371 P374 R375 D377 G381 I382 L412 I421	V368-F379 HydrophobicContact CG1-CE1 4.02Å; V368-F379 HydrophobicContact CG1-CZ 4.16Å; V371-F379 HydrophobicContact CG2-CD1 3.91Å; V371-F379 HydrophobicContact CG2-CE1 3.6Å; P374-F379 WeakPolarHBondContact CA-O 3.24Å; R375-F379 PolarHBondContact N-O 3.01Å; D377-F379 VanDerWaalsContact OD1-CB 3.28Å; D377-F379 WeakPolarHBondContact OD1-CB 3.46Å; D377-F379 PolarHBondContact OD1-N 3.25Å; F379-G381 VanDerWaalsContact CE2-O 3.29Å; F379-G381 WeakPolarHBondContact CE2-O 3.43Å; F379-I382 HydrophobicContact CZ-CG1 3.95Å; F379-L412 HydrophobicContact CD2-CD1 3.97Å; F379-L412 HydrophobicContact CE2-CD1 3.66Å; F379-I421 HydrophobicContact CD1-CD1 3.62Å; F379-I421 HydrophobicContact CD2-CD1 4.1Å; F379-I421 HydrophobicContact CD2-CG2 4.18Å; F379-I421 HydrophobicContact CE1-CD1 3.21Å; F379-I421 HydrophobicContact CE2-CD1 3.75Å; F379-I421 HydrophobicContact CE2-CG2 4.36Å; F379-I421 HydrophobicContact CG-CD1 4.04Å; F379-I421 HydrophobicContact CZ-CD1 3.27Å
380	T	96.7	Very high	93.6	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	24%	0.241	C	C	.	.			trans	-105.9	-1.4	-173.3	68.2	0	0	0	0	114.4	P374 G378 Y383 Q405 R406 G565	P374-T380 HydrophobicContact CB-CG2 3.96Å; P374-T380 HydrophobicContact CG-CG2 3.84Å; G378-T380 WeakPolarHBondContact O-CG2 3.35Å; G378-T380 PolarHBondContact O-N 3.42Å; T380-Y383 VanDerWaalsContact O-CE2 3.32Å; T380-Y383 WeakPolarHBondContact O-CE2 3.37Å; T380-Y383 PolarHBondContact O-OH 2.96Å; T380-Q405 PolarHBondContact OG1-OE1 3.24Å; T380-R406 HydrophobicContact CG2-CG 4.49Å; T380-G565 WeakPolarHBondContact CB-O 3.24Å; T380-G565 WeakPolarHBondContact CG2-O 3.45Å; T380-G565 VanDerWaalsContact OG1-C 3.23Å; T380-G565 PolarHBondContact OG1-O 2.8Å
381	G	97.1	Very high	93.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.224	C	C	.	.			trans	113.5	176.9	-176.4	0	0	0	0	0	113.3	F379 C403 Q405	F379-G381 VanDerWaalsContact CE2-O 3.29Å; F379-G381 WeakPolarHBondContact CE2-O 3.43Å; G381-C403 PolarHBondContact O-SG 2.98Å; G381-Q405 PolarHBondContact O-NE2 3.4Å
382	I	97.5	Very high	93.5	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.015	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-99.2	111.9	177.6	-58.3	-179.7	0	0	0	109.2	L340 C351 C352 L354 V368 F379 V401	L340-I382 HydrophobicContact CD2-CG2 4.03Å; C351-I382 WeakPolarHBondContact CA-O 3.3Å; C352-I382 PolarHBondContact N-O 3.23Å; L354-I382 HydrophobicContact CB-CD1 3.81Å; V368-I382 HydrophobicContact CB-CD1 3.97Å; V368-I382 HydrophobicContact CG1-CD1 3.98Å; V368-I382 HydrophobicContact CG1-CG1 4.31Å; V368-I382 HydrophobicContact CG2-CD1 4.31Å; F379-I382 HydrophobicContact CZ-CG1 3.95Å; I382-V401 HydrophobicContact CG2-CG1 4.37Å
383	Y	95.8	Very high	93.5	Very high	5 Å²	5	40.7 Å²	40.7	2%	0.02	21%	0.213	C	C	.	.			trans	-115.7	84.2	175.4	-59.7	-78.9	0	0	0	109.4	C351 T380 C403 P404 L564 G567 Q568 V571	C351-Y383 HydrophobicContact CB-CD1 4.36Å; C351-Y383 HydrophobicContact CB-CE1 3.64Å; T380-Y383 VanDerWaalsContact O-CE2 3.32Å; T380-Y383 WeakPolarHBondContact O-CE2 3.37Å; T380-Y383 PolarHBondContact O-OH 2.96Å; Y383-C403 PolarHBondContact N-SG 3.31Å; Y383-P404 WeakPolarHBondContact O-CD 3.3Å; Y383-L564 HydrophobicContact CD1-CB 4.03Å; Y383-L564 HydrophobicContact CD1-CD2 3.78Å; Y383-L564 HydrophobicContact CD1-CG 4.35Å; Y383-L564 HydrophobicContact CE1-CD2 4.2Å; Y383-L564 HydrophobicContact CG-CB 4.05Å; Y383-G567 WeakPolarHBondContact OH-CA 3.46Å; Y383-G567 PolarHBondContact OH-N 2.82Å; Y383-G567 VanDerWaalsContact OH-N 3.08Å; Y383-G567 PolarHBondContact OH-O 3.38Å; Y383-Q568 PolarHBondContact OH-N 3.46Å; Y383-Q568 VanDerWaalsContact OH-N 3.1Å; Y383-V571 HydrophobicContact CE1-CG2 4.35Å
384	S	91.4	Very high	93.4	Very high	13 Å²	13	39 Å²	39	9%	0.091	22%	0.216	C	C	.	.			trans	-135.5	136.9	178.2	-167.8	0	0	0	0	112	Y326 Q386	Y326-S384 PolarHBondContact OH-O 3.28Å; S384-Q386 VanDerWaalsContact C-N 3.3Å; S384-Q386 PolarHBondContact OG-N 3.03Å; S384-Q386 VanDerWaalsContact OG-N 3.17Å; S384-Q386 PolarHBondContact OG-O 2.98Å
385	S	86.4	Confident	93.5	Very high	25 Å²	25	39.8 Å²	39.8	18%	0.175	22%	0.217	C	C	.	.	S	Bend	trans	-77.9	-18.7	169.7	57.1	0	0	0	0	112.3	Y326	Y326-S385 WeakPolarHBondContact CE2-O 3.33Å
386	Q	90.5	Very high	93.6	Very high	9 Å²	9	35 Å²	35	4%	0.042	20%	0.2	C	C	.	.			trans	-165.3	143.1	175.8	-154	-177.4	13.5	0	0	111.7	F167 P168 S327 S384	F167-Q386 HydrophobicContact CE1-CB 4.26Å; F167-Q386 HydrophobicContact CE2-CB 3.94Å; F167-Q386 HydrophobicContact CE2-CG 4.43Å; F167-Q386 HydrophobicContact CZ-CB 3.58Å; P168-Q386 HydrophobicContact CB-CB 3.95Å; S327-Q386 WeakPolarHBondContact OG-CG 3.46Å; S384-Q386 VanDerWaalsContact C-N 3.3Å; S384-Q386 PolarHBondContact OG-N 3.03Å; S384-Q386 VanDerWaalsContact OG-N 3.17Å; S384-Q386 PolarHBondContact OG-O 2.98Å
387	L	93.4	Very high	93.9	Very high	3 Å²	3	27 Å²	27	2%	0.016	17%	0.165	C	C	.	.			trans	-71.4	153.4	165.5	-60.5	177.3	0	0	0	110	S327 R329 I338 L340 L354 V401	S327-L387 WeakPolarHBondContact OG-CB 3.44Å; S327-L387 PolarHBondContact OG-N 3.12Å; R329-L387 HydrophobicContact CG-CB 4.06Å; R329-L387 HydrophobicContact CG-CD1 3.99Å; R329-L387 PolarHBondContact NH2-O 2.83Å; I338-L387 HydrophobicContact CD1-CD1 3.87Å; I338-L387 HydrophobicContact CG1-CD1 4.18Å; L340-L387 HydrophobicContact CD1-CD2 4.2Å; L340-L387 HydrophobicContact CD1-CG 4.11Å; L340-L387 HydrophobicContact CD2-CD2 4.12Å; L340-L387 HydrophobicContact CD2-CG 4.44Å; L340-L387 HydrophobicContact CG-CD1 4.43Å; L340-L387 HydrophobicContact CG-CD2 4.26Å; L340-L387 HydrophobicContact CG-CG 4.09Å; L354-L387 HydrophobicContact CD1-CD1 4.28Å; L387-V401 HydrophobicContact CD2-CG1 4.13Å; L387-V401 HydrophobicContact CD2-CG2 4Å
388	S	91.1	Very high	94.3	Very high	16 Å²	16	22.8 Å²	22.8	11%	0.112	14%	0.142	C	C	.	.			trans	-57.8	140.6	169.6	-175	0	0	0	0	110.1	R329 K390	R329-S388 WeakPolarHBondContact CD-O 3.44Å; R329-S388 PolarHBondContact NE-O 2.88Å; S388-K390 VanDerWaalsContact CB-O 3.28Å; S388-K390 WeakPolarHBondContact CB-O 3.47Å; S388-K390 PolarHBondContact O-N 2.74Å; S388-K390 VanDerWaalsContact O-N 3.13Å; S388-K390 PolarHBondContact OG-O 3.11Å
389	P	87.4	Confident	94.5	Very high	70 Å²	70	20.8 Å²	20.8	46%	0.455	12%	0.121	S	C	.	.	S	Bend	trans	-53.2	-33.1	-179.4	-29.3	36.5	0	0	0	113.9	R329	R329-P389 WeakPolarHBondContact CD-O 3.34Å
390	K	92.1	Very high	94.6	Very high	76 Å²	76	20.4 Å²	20.4	33%	0.33	12%	0.119	S	C	.	.	S	Bend	trans	-119.5	125.9	163.3	-58.6	-169.1	173.9	-177.6	0	107.9	S388 N437 I438 E439	S388-K390 VanDerWaalsContact CB-O 3.28Å; S388-K390 WeakPolarHBondContact CB-O 3.47Å; S388-K390 PolarHBondContact O-N 2.74Å; S388-K390 VanDerWaalsContact O-N 3.13Å; S388-K390 PolarHBondContact OG-O 3.11Å; K390-N437 WeakPolarHBondContact CB-OD1 3.49Å; K390-N437 WeakPolarHBondContact CD-OD1 3.47Å; K390-I438 HydrophobicContact CB-CG2 4.39Å; K390-I438 VanDerWaalsContact CB-O 3.24Å; K390-I438 WeakPolarHBondContact CB-O 3.42Å; K390-I438 WeakPolarHBondContact O-CG2 3.46Å; K390-E439 WeakPolarHBondContact CD-OE2 3.4Å; K390-E439 WeakPolarHBondContact CE-OE2 3.43Å; K390-E439 VanDerWaalsContact NZ-CD 3.33Å; K390-E439 IonicContact NZ-OE1 3.09Å; K390-E439 IonicContact NZ-OE2 3.93Å; K390-E439 PolarHBondContact NZ-OE2 3.16Å
391	C	95.7	Very high	94.5	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.007	12%	0.12	C	C	.	.			trans	-143.4	-6.1	-177.3	57.7	0	0	0	0	113.3	V399 V400 I438	C391-V399 HydrophobicContact CB-CG1 4.05Å; C391-V399 CarbonylContact O-C 3.49Å; C391-V399 WeakPolarHBondContact O-CA 3.47Å; C391-V400 WeakPolarHBondContact CB-O 3.41Å; C391-V400 PolarHBondContact O-N 3.26Å; C391-I438 VanDerWaalsContact CA-CG2 3.46Å
392	W	97.8	Very high	94.4	Very high	14 Å²	14	21.5 Å²	21.5	5%	0.053	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-81.4	145	-179.9	-74.2	98.9	0	0	0	111.8	R329 L330 P332 R336 I338 M356 S396 R398 V399 T416	R329-W392 PolarHBondContact O-NE1 3.23Å; L330-W392 VanDerWaalsContact O-CD1 3.29Å; L330-W392 PolarHBondContact O-NE1 3.04Å; P332-W392 HydrophobicContact CG-CB 3.86Å; R336-W392 HydrophobicContact CB-CH2 4.32Å; R336-W392 HydrophobicContact CB-CZ2 4.49Å; I338-W392 HydrophobicContact CB-CZ2 3.94Å; I338-W392 HydrophobicContact CD1-CZ2 3.91Å; I338-W392 HydrophobicContact CG1-CZ2 3.68Å; I338-W392 HydrophobicContact CG2-CH2 3.55Å; I338-W392 HydrophobicContact CG2-CZ2 3.27Å; M356-W392 HydrophobicContact SD-CH2 4.36Å; W392-S396 VanDerWaalsContact CZ3-O 3.29Å; W392-S396 WeakPolarHBondContact CZ3-O 3.24Å; W392-R398 WeakPolarHBondContact CA-O 3.28Å; W392-V399 HydrophobicContact CD2-CG2 3.87Å; W392-V399 HydrophobicContact CE3-CG2 3.66Å; W392-V399 HydrophobicContact CH2-CG2 4.09Å; W392-V399 HydrophobicContact CZ2-CG2 4.28Å; W392-V399 HydrophobicContact CZ3-CG2 3.78Å; W392-T416 HydrophobicContact CH2-CG2 3.89Å; W392-T416 HydrophobicContact CZ3-CG2 3.59Å
393	S	96.9	Very high	94.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.127	C	C	.	.			trans	-64.8	155.6	161.3	56.7	0	0	0	0	110.7	D395 S396 T397 R398 D441	S393-D395 WeakPolarHBondContact CB-OD1 3.42Å; S393-D395 PolarHBondContact O-N 3.25Å; S393-D395 PolarHBondContact OG-OD1 3.26Å; S393-S396 PolarHBondContact O-N 3.39Å; S393-T397 PolarHBondContact OG-N 3.25Å; S393-R398 PolarHBondContact N-O 3.27Å; S393-R398 PolarHBondContact OG-N 2.94Å; S393-R398 PolarHBondContact OG-O 2.89Å; S393-D441 VanDerWaalsContact CA-OD1 3.28Å; S393-D441 WeakPolarHBondContact CA-OD1 3.27Å; S393-D441 WeakPolarHBondContact CB-OD1 3.47Å
394	A	95.6	Very high	94.2	Very high	47 Å²	47	21.8 Å²	21.8	39%	0.388	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-32.3	-177.9	0	0	0	0	0	112.8	S396 D441	A394-S396 PolarHBondContact O-N 3.23Å; A394-D441 VanDerWaalsContact CB-OD2 3.25Å; A394-D441 WeakPolarHBondContact CB-OD2 3.49Å; A394-D441 PolarHBondContact N-OD1 3.43Å
395	D	95.7	Very high	94.4	Very high	78 Å²	78	22 Å²	22	42%	0.417	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	0.7	177.8	66.5	13.6	0	0	0	114.4	S393 T397	S393-D395 WeakPolarHBondContact CB-OD1 3.42Å; S393-D395 PolarHBondContact O-N 3.25Å; S393-D395 PolarHBondContact OG-OD1 3.26Å; D395-T397 HydrophobicContact CB-CG2 4.33Å; D395-T397 WeakPolarHBondContact O-CG2 3.4Å; D395-T397 PolarHBondContact O-N 3.49Å; D395-T397 WeakPolarHBondContact OD1-CB 3.47Å; D395-T397 PolarHBondContact OD1-N 3.16Å; D395-T397 PolarHBondContact OD1-OG1 3.36Å; D395-T397 PolarHBondContact OD2-OG1 3.07Å; D395-T397 VanDerWaalsContact OD2-OG1 3.13Å
396	S	97.1	Very high	94.8	Very high	6 Å²	6	24.4 Å²	24.4	4%	0.042	14%	0.135	C	C	.	.	S	Bend	trans	59.8	20.3	-178.6	-53.2	0	0	0	0	115	P332 D333 W392 S393 A394	P332-S396 VanDerWaalsContact CD-OG 3.3Å; P332-S396 WeakPolarHBondContact CD-OG 3.33Å; D333-S396 PolarHBondContact N-OG 2.87Å; D333-S396 VanDerWaalsContact N-OG 3.11Å; W392-S396 VanDerWaalsContact CZ3-O 3.29Å; W392-S396 WeakPolarHBondContact CZ3-O 3.24Å; S393-S396 PolarHBondContact O-N 3.39Å; A394-S396 PolarHBondContact O-N 3.23Å
397	T	96.4	Very high	95.1	Very high	42 Å²	42	24 Å²	24	26%	0.258	13%	0.133	S	C	.	.	S	Bend	trans	-103.5	-21.5	-178.7	70.3	0	0	0	0	114.3	S393 D395 T416	S393-T397 PolarHBondContact OG-N 3.25Å; D395-T397 HydrophobicContact CB-CG2 4.33Å; D395-T397 WeakPolarHBondContact O-CG2 3.4Å; D395-T397 PolarHBondContact O-N 3.49Å; D395-T397 WeakPolarHBondContact OD1-CB 3.47Å; D395-T397 PolarHBondContact OD1-N 3.16Å; D395-T397 PolarHBondContact OD1-OG1 3.36Å; D395-T397 PolarHBondContact OD2-OG1 3.07Å; D395-T397 VanDerWaalsContact OD2-OG1 3.13Å; T397-T416 WeakPolarHBondContact O-CB 3.27Å; T397-T416 WeakPolarHBondContact O-CG2 3.34Å; T397-T416 PolarHBondContact O-N 2.82Å; T397-T416 PolarHBondContact O-OG1 2.93Å
398	R	97.3	Very high	95.2	Very high	19 Å²	19	27.6 Å²	27.6	7%	0.072	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	155	-174.5	-64.4	175.7	-63.7	158.1	4.7	111.5	W392 S393 V413 V414 D415 P462	W392-R398 WeakPolarHBondContact CA-O 3.28Å; S393-R398 PolarHBondContact N-O 3.27Å; S393-R398 PolarHBondContact OG-N 2.94Å; S393-R398 PolarHBondContact OG-O 2.89Å; R398-V413 HydrophobicContact CB-CG1 3.92Å; R398-V413 HydrophobicContact CG-CG1 4.2Å; R398-V414 CarbonylContact C-O 3.54Å; R398-V414 WeakPolarHBondContact CA-O 3.3Å; R398-D415 HydrophobicContact CG-CB 4.47Å; R398-P462 PolarHBondContact NH1-O 2.89Å; R398-P462 PolarHBondContact NH2-O 3.22Å
399	V	97.6	Very high	95.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	134.6	-179.9	-179.6	0	0	0	0	109.5	I338 C391 W392 V401 V413 V414 T416	I338-V399 HydrophobicContact CD1-CB 4.15Å; I338-V399 HydrophobicContact CD1-CG1 3.5Å; I338-V399 HydrophobicContact CD1-CG2 3.5Å; I338-V399 VanDerWaalsContact CD1-CG2 3.5Å; I338-V399 HydrophobicContact CG2-CG2 4.43Å; C391-V399 HydrophobicContact CB-CG1 4.05Å; C391-V399 CarbonylContact O-C 3.49Å; C391-V399 WeakPolarHBondContact O-CA 3.47Å; W392-V399 HydrophobicContact CD2-CG2 3.87Å; W392-V399 HydrophobicContact CE3-CG2 3.66Å; W392-V399 HydrophobicContact CH2-CG2 4.09Å; W392-V399 HydrophobicContact CZ2-CG2 4.28Å; W392-V399 HydrophobicContact CZ3-CG2 3.78Å; V399-V401 HydrophobicContact CG1-CG2 4Å; V399-V413 CarbonylContact O-C 3.6Å; V399-V413 WeakPolarHBondContact O-CA 3.16Å; V399-V414 PolarHBondContact N-O 3.32Å; V399-V414 PolarHBondContact O-N 3.11Å; V399-T416 HydrophobicContact CG2-CG2 3.71Å
400	V	97.4	Very high	95.7	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.4	175.3	-169.8	0	0	0	0	110	C391 L412 V413 L424 L435 I438 M443 L461	C391-V400 WeakPolarHBondContact CB-O 3.41Å; C391-V400 PolarHBondContact O-N 3.26Å; V400-L412 CarbonylContact C-O 3.43Å; V400-L412 VanDerWaalsContact CA-O 3.3Å; V400-L412 WeakPolarHBondContact CA-O 3.24Å; V400-V413 HydrophobicContact CG2-CG2 4.24Å; V400-L424 HydrophobicContact CG1-CD1 4.43Å; V400-L435 HydrophobicContact CB-CD2 3.87Å; V400-L435 HydrophobicContact CG1-CD2 3.91Å; V400-I438 HydrophobicContact CG2-CD1 3.97Å; V400-M443 HydrophobicContact CG1-SD 4.33Å; V400-M443 HydrophobicContact CG2-SD 4.28Å; V400-L461 HydrophobicContact CG2-CD1 4.37Å; V400-L461 HydrophobicContact CG2-CD2 4.12Å
401	V	95.4	Very high	95.8	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.03	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	126.4	-178.2	-173.6	0	0	0	0	109.5	I382 L387 V399 C403 L412 V414	I382-V401 HydrophobicContact CG2-CG1 4.37Å; L387-V401 HydrophobicContact CD2-CG1 4.13Å; L387-V401 HydrophobicContact CD2-CG2 4Å; V399-V401 HydrophobicContact CG1-CG2 4Å; V401-C403 HydrophobicContact CG1-CB 4.35Å; V401-L412 PolarHBondContact N-O 2.79Å; V401-L412 PolarHBondContact O-N 3.26Å; V401-V414 HydrophobicContact CG2-CG2 4.41Å
402	A	93.3	Very high	95.8	Very high	18 Å²	18	24.1 Å²	24.1	15%	0.149	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	111.3	170.8	0	0	0	0	0	109.5	K409 D410 L411 L435	A402-K409 WeakPolarHBondContact O-CE 3.13Å; A402-D410 CarbonylContact C-O 3.5Å; A402-D410 VanDerWaalsContact CA-O 3.32Å; A402-D410 WeakPolarHBondContact CA-O 3.37Å; A402-L411 HydrophobicContact CB-CD2 3.87Å; A402-L435 HydrophobicContact CB-CB 4.33Å
403	C	93.9	Very high	95.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	137.8	-168.6	-169.9	0	0	0	0	111.8	G381 Y383 V401 Q405 K409 D410 L412	G381-C403 PolarHBondContact O-SG 2.98Å; Y383-C403 PolarHBondContact N-SG 3.31Å; V401-C403 HydrophobicContact CG1-CB 4.35Å; C403-Q405 PolarHBondContact O-N 2.52Å; C403-K409 WeakPolarHBondContact O-CA 3.35Å; C403-D410 PolarHBondContact N-O 3.03Å; C403-D410 PolarHBondContact O-N 3.48Å; C403-L412 HydrophobicContact CB-CD1 3.96Å
404	P	95.4	Very high	95.7	Very high	14 Å²	14	24 Å²	24	9%	0.091	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	131.8	166.2	-20.6	32.9	0	0	0	110.9	Y383 R408 V536 V538	Y383-P404 WeakPolarHBondContact O-CD 3.3Å; P404-R408 CarbonylContact C-O 3.56Å; P404-R408 VanDerWaalsContact CA-O 3.28Å; P404-R408 WeakPolarHBondContact CA-O 3.27Å; P404-V536 HydrophobicContact CB-CG1 3.62Å; P404-V536 HydrophobicContact CG-CG1 3.73Å; P404-V538 HydrophobicContact CB-CG1 4.26Å
405	Q	95.6	Very high	95.8	Very high	17 Å²	17	22.1 Å²	22.1	8%	0.079	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	96.7	169.8	-61.5	-63.8	-68.9	0	0	105.3	T380 G381 C403 R408 D410 L412	T380-Q405 PolarHBondContact OG1-OE1 3.24Å; G381-Q405 PolarHBondContact O-NE2 3.4Å; C403-Q405 PolarHBondContact O-N 2.52Å; Q405-R408 PolarHBondContact N-O 3.11Å; Q405-R408 PolarHBondContact O-N 2.8Å; Q405-D410 HydrophobicContact CG-CB 4.17Å; Q405-L412 HydrophobicContact CG-CD1 4.42Å
406	R	95.6	Very high	95.8	Very high	77 Å²	77	18.8 Å²	18.8	29%	0.291	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	-138.3	-167.1	-51.9	169.8	63.3	130.6	3.7	111	T380 R408 T490 E508 G565 F566	T380-R406 HydrophobicContact CG2-CG 4.49Å; R406-R408 PolarHBondContact O-N 3.47Å; R406-R408 VanDerWaalsContact O-N 3.1Å; R406-T490 PolarHBondContact NH2-OG1 2.77Å; R406-E508 WeakPolarHBondContact CB-OE2 3.24Å; R406-E508 IonicContact CZ-OE1 2.76Å; R406-E508 IonicContact NE-OE1 3.67Å; R406-E508 PolarHBondContact NE-OE1 3.44Å; R406-E508 IonicContact NE-OE2 3.9Å; R406-E508 IonicContact NH2-OE1 3.68Å; R406-E508 PolarHBondContact NH2-OE1 3.2Å; R406-G565 WeakPolarHBondContact CA-O 3.35Å; R406-G565 WeakPolarHBondContact CG-O 3.27Å; R406-G565 PolarHBondContact N-O 3.13Å; R406-F566 HydrophobicContact CB-CD1 4.47Å; R406-F566 HydrophobicContact CB-CE1 3.86Å; R406-F566 HydrophobicContact CB-CZ 3.87Å; R406-F566 HydrophobicContact CG-CD1 4.08Å; R406-F566 HydrophobicContact CG-CE1 3.89Å; R406-F566 HydrophobicContact CG-CZ 4.37Å
407	S	96.5	Very high	95.7	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.007	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	21.3	179.1	-48.3	0	0	0	0	114.8	E508 V538 A539 N559	S407-E508 WeakPolarHBondContact CB-OE2 3.43Å; S407-E508 PolarHBondContact N-OE2 2.79Å; S407-E508 WeakPolarHBondContact OG-CB 3.25Å; S407-E508 PolarHBondContact OG-OE2 3.36Å; S407-V538 CarbonylContact O-C 3.59Å; S407-V538 WeakPolarHBondContact O-CA 3.34Å; S407-A539 PolarHBondContact O-N 3.49Å; S407-N559 PolarHBondContact OG-ND2 2.88Å
408	R	95.8	Very high	95.7	Very high	78 Å²	78	24.8 Å²	24.8	29%	0.294	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	160.5	172.9	-69.3	-175.2	179.3	-103.9	0.1	110.7	P404 Q405 R406 S428 I430 G431 I488	P404-R408 CarbonylContact C-O 3.56Å; P404-R408 VanDerWaalsContact CA-O 3.28Å; P404-R408 WeakPolarHBondContact CA-O 3.27Å; Q405-R408 PolarHBondContact N-O 3.11Å; Q405-R408 PolarHBondContact O-N 2.8Å; R406-R408 PolarHBondContact O-N 3.47Å; R406-R408 VanDerWaalsContact O-N 3.1Å; R408-S428 PolarHBondContact NH1-O 2.89Å; R408-I430 PolarHBondContact NH1-O 2.92Å; R408-G431 VanDerWaalsContact CA-O 3.28Å; R408-G431 WeakPolarHBondContact CA-O 3.12Å; R408-I488 HydrophobicContact CG-CD1 3.85Å
409	K	94.4	Very high	95.6	Very high	50 Å²	50	24.6 Å²	24.6	22%	0.217	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	121.1	170	-161.5	-179.1	-175.7	177.1	0	110.3	A402 C403 G431 N432 W433 C434 V538	A402-K409 WeakPolarHBondContact O-CE 3.13Å; C403-K409 WeakPolarHBondContact O-CA 3.35Å; K409-G431 PolarHBondContact N-O 2.84Å; K409-N432 VanDerWaalsContact CB-OD1 3.25Å; K409-N432 WeakPolarHBondContact CB-OD1 3.21Å; K409-N432 VanDerWaalsContact CD-OD1 3.3Å; K409-N432 WeakPolarHBondContact CD-OD1 3.42Å; K409-W433 PolarHBondContact O-N 3.2Å; K409-C434 PolarHBondContact NZ-SG 3.38Å; K409-V538 HydrophobicContact CB-CG1 4.22Å
410	D	93.7	Very high	95.4	Very high	31 Å²	31	27.4 Å²	27.4	17%	0.166	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	150.5	-174.6	-76.5	-25.8	0	0	0	112.9	A402 C403 Q405 L412 T425	A402-D410 CarbonylContact C-O 3.5Å; A402-D410 VanDerWaalsContact CA-O 3.32Å; A402-D410 WeakPolarHBondContact CA-O 3.37Å; C403-D410 PolarHBondContact N-O 3.03Å; C403-D410 PolarHBondContact O-N 3.48Å; Q405-D410 HydrophobicContact CG-CB 4.17Å; D410-L412 HydrophobicContact CB-CD2 3.89Å; D410-L412 HydrophobicContact CB-CG 4.37Å; D410-T425 VanDerWaalsContact CA-OG1 3.22Å; D410-T425 WeakPolarHBondContact CA-OG1 3.38Å; D410-T425 WeakPolarHBondContact CB-OG1 3.3Å; D410-T425 VanDerWaalsContact OD1-CB 3.3Å; D410-T425 WeakPolarHBondContact OD1-CB 3.31Å; D410-T425 WeakPolarHBondContact OD1-CG2 3.46Å; D410-T425 PolarHBondContact OD1-OG1 3.35Å
411	L	94.6	Very high	95.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	108.8	166.4	-66.4	175.3	0	0	0	108.6	A402 L424 T425 W433 L435 V445 W472	A402-L411 HydrophobicContact CB-CD2 3.87Å; L411-L424 HydrophobicContact CB-CB 4.14Å; L411-L424 PolarHBondContact O-N 3.45Å; L411-T425 PolarHBondContact N-OG1 2.92Å; L411-W433 HydrophobicContact CD1-CB 4.04Å; L411-W433 HydrophobicContact CD1-CE3 3.94Å; L411-W433 HydrophobicContact CG-CB 3.78Å; L411-L435 HydrophobicContact CD2-CB 3.8Å; L411-V445 HydrophobicContact CD1-CB 4.34Å; L411-V445 HydrophobicContact CD1-CG1 3.68Å; L411-W472 HydrophobicContact CD1-CH2 3.84Å; L411-W472 HydrophobicContact CD1-CZ2 3.99Å
412	L	95.3	Very high	95.2	Very high	9 Å²	9	32.4 Å²	32.4	5%	0.047	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	135	-178.9	-54.7	179.6	0	0	0	109.7	F379 V400 V401 C403 Q405 D410 I421 T422	F379-L412 HydrophobicContact CD2-CD1 3.97Å; F379-L412 HydrophobicContact CE2-CD1 3.66Å; V400-L412 CarbonylContact C-O 3.43Å; V400-L412 VanDerWaalsContact CA-O 3.3Å; V400-L412 WeakPolarHBondContact CA-O 3.24Å; V401-L412 PolarHBondContact N-O 2.79Å; V401-L412 PolarHBondContact O-N 3.26Å; C403-L412 HydrophobicContact CB-CD1 3.96Å; Q405-L412 HydrophobicContact CG-CD1 4.42Å; D410-L412 HydrophobicContact CB-CD2 3.89Å; D410-L412 HydrophobicContact CB-CG 4.37Å; L412-I421 HydrophobicContact CB-CG2 4.12Å; L412-I421 HydrophobicContact CD1-CG2 4.32Å; L412-I421 HydrophobicContact CD2-CG2 4.41Å; L412-T422 CarbonylContact C-O 3.48Å; L412-T422 WeakPolarHBondContact CA-O 3.41Å
413	V	96.4	Very high	95.1	Very high	10 Å²	10	34.2 Å²	34.2	6%	0.061	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	127.2	167.7	177.9	0	0	0	0	108.2	R398 V399 V400 I421 T422 L424 L461	R398-V413 HydrophobicContact CB-CG1 3.92Å; R398-V413 HydrophobicContact CG-CG1 4.2Å; V399-V413 CarbonylContact O-C 3.6Å; V399-V413 WeakPolarHBondContact O-CA 3.16Å; V400-V413 HydrophobicContact CG2-CG2 4.24Å; V413-I421 CarbonylContact O-C 3.55Å; V413-I421 WeakPolarHBondContact O-CA 3.3Å; V413-T422 PolarHBondContact N-O 3Å; V413-T422 PolarHBondContact O-N 3.49Å; V413-L424 HydrophobicContact CG2-CD1 3.35Å; V413-L424 HydrophobicContact CG2-CD2 3.71Å; V413-L424 HydrophobicContact CG2-CG 3.46Å; V413-L424 VanDerWaalsContact CG2-CG 3.46Å; V413-L461 HydrophobicContact CG2-CD1 3.62Å
414	V	97.3	Very high	95	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123.4	173.4	-174.1	0	0	0	0	108.6	L354 V367 V368 R398 V399 V401 S420 I421	L354-V414 HydrophobicContact CD2-CB 4.28Å; L354-V414 HydrophobicContact CD2-CG1 4Å; L354-V414 HydrophobicContact CD2-CG2 4.31Å; V367-V414 HydrophobicContact CG1-CG1 3.73Å; V368-V414 HydrophobicContact CG2-CG1 3.5Å; V368-V414 VanDerWaalsContact CG2-CG1 3.5Å; V368-V414 HydrophobicContact CG2-CG2 4.34Å; R398-V414 CarbonylContact C-O 3.54Å; R398-V414 WeakPolarHBondContact CA-O 3.3Å; V399-V414 PolarHBondContact N-O 3.32Å; V399-V414 PolarHBondContact O-N 3.11Å; V401-V414 HydrophobicContact CG2-CG2 4.41Å; V414-S420 WeakPolarHBondContact CA-O 3.42Å; V414-I421 HydrophobicContact CG2-CG1 4.32Å
415	D	97	Very high	94.6	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.037	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	119.9	167.3	-177.7	-77.1	0	0	0	110.2	R398 S417 T418 G419 S420 K464	R398-D415 HydrophobicContact CG-CB 4.47Å; D415-S417 VanDerWaalsContact C-N 3.27Å; D415-S417 PolarHBondContact O-N 3Å; D415-S417 WeakPolarHBondContact OD1-CA 3.42Å; D415-S417 WeakPolarHBondContact OD1-CB 3.46Å; D415-S417 PolarHBondContact OD1-N 2.79Å; D415-S417 PolarHBondContact OD1-OG 2.78Å; D415-T418 WeakPolarHBondContact CB-OG1 3.44Å; D415-T418 VanDerWaalsContact CG-OG1 3.28Å; D415-T418 PolarHBondContact OD1-N 2.83Å; D415-T418 PolarHBondContact OD1-OG1 2.81Å; D415-G419 VanDerWaalsContact O-CA 3.26Å; D415-G419 WeakPolarHBondContact O-CA 3.34Å; D415-G419 PolarHBondContact O-N 2.82Å; D415-S420 WeakPolarHBondContact CB-OG 3.46Å; D415-S420 PolarHBondContact N-O 3.31Å; D415-K464 IonicContact OD1-NZ 2.77Å; D415-K464 WeakPolarHBondContact OD2-CD 3.19Å; D415-K464 WeakPolarHBondContact OD2-CE 3.42Å; D415-K464 IonicContact OD2-NZ 2.6Å; D415-K464 PolarHBondContact OD2-NZ 3.01Å
416	T	96.7	Very high	93.9	Very high	8 Å²	8	37.2 Å²	37.2	5%	0.049	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-16.5	-173.1	62.9	0	0	0	0	114.5	M356 W392 T397 V399	M356-T416 HydrophobicContact SD-CG2 4.48Å; W392-T416 HydrophobicContact CH2-CG2 3.89Å; W392-T416 HydrophobicContact CZ3-CG2 3.59Å; T397-T416 WeakPolarHBondContact O-CB 3.27Å; T397-T416 WeakPolarHBondContact O-CG2 3.34Å; T397-T416 PolarHBondContact O-N 2.82Å; T397-T416 PolarHBondContact O-OG1 2.93Å; V399-T416 HydrophobicContact CG2-CG2 3.71Å
417	S	94.5	Very high	92.9	Very high	81 Å²	81	44.3 Å²	44.3	57%	0.566	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-33.8	179.4	63.6	0	0	0	0	112.7	D415 K464	D415-S417 VanDerWaalsContact C-N 3.27Å; D415-S417 PolarHBondContact O-N 3Å; D415-S417 WeakPolarHBondContact OD1-CA 3.42Å; D415-S417 WeakPolarHBondContact OD1-CB 3.46Å; D415-S417 PolarHBondContact OD1-N 2.79Å; D415-S417 PolarHBondContact OD1-OG 2.78Å; S417-K464 PolarHBondContact OG-NZ 3.13Å
418	T	95.1	Very high	91.7	Very high	93 Å²	93	46.3 Å²	46.3	57%	0.571	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-19.7	-174.3	60.3	0	0	0	0	113.4	D415 S420	D415-T418 WeakPolarHBondContact CB-OG1 3.44Å; D415-T418 VanDerWaalsContact CG-OG1 3.28Å; D415-T418 PolarHBondContact OD1-N 2.83Å; D415-T418 PolarHBondContact OD1-OG1 2.81Å; T418-S420 PolarHBondContact O-N 3.38Å; T418-S420 WeakPolarHBondContact OG1-CB 3.33Å; T418-S420 PolarHBondContact OG1-N 2.73Å; T418-S420 PolarHBondContact OG1-OG 2.95Å
419	G	95.3	Very high	90.7	Very high	14 Å²	14	50.4 Å²	50.4	14%	0.144	28%	0.283	C	S	.	.			trans	72	9.2	-170.8	0	0	0	0	0	113.8	V367 D415	V367-G419 VanDerWaalsContact O-CA 3.28Å; V367-G419 WeakPolarHBondContact O-CA 3.34Å; D415-G419 VanDerWaalsContact O-CA 3.26Å; D415-G419 WeakPolarHBondContact O-CA 3.34Å; D415-G419 PolarHBondContact O-N 2.82Å
420	S	94.5	Very high	90.2	Very high	59 Å²	59	49.1 Å²	49.1	41%	0.413	28%	0.279	S	S	.	.			trans	-68.5	142.2	178.5	69.9	0	0	0	0	111.1	V414 D415 T418	V414-S420 WeakPolarHBondContact CA-O 3.42Å; D415-S420 WeakPolarHBondContact CB-OG 3.46Å; D415-S420 PolarHBondContact N-O 3.31Å; T418-S420 PolarHBondContact O-N 3.38Å; T418-S420 WeakPolarHBondContact OG1-CB 3.33Å; T418-S420 PolarHBondContact OG1-N 2.73Å; T418-S420 PolarHBondContact OG1-OG 2.95Å
421	I	94.8	Very high	89.8	Confident	25 Å²	25	47.7 Å²	47.7	13%	0.128	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.7	-176.8	-57.1	177.7	0	0	0	109	V368 F379 L412 V413 V414	V368-I421 HydrophobicContact CG1-CD1 3.88Å; V368-I421 HydrophobicContact CG2-CD1 3.99Å; V368-I421 HydrophobicContact CG2-CG1 4.37Å; F379-I421 HydrophobicContact CD1-CD1 3.62Å; F379-I421 HydrophobicContact CD2-CD1 4.1Å; F379-I421 HydrophobicContact CD2-CG2 4.18Å; F379-I421 HydrophobicContact CE1-CD1 3.21Å; F379-I421 HydrophobicContact CE2-CD1 3.75Å; F379-I421 HydrophobicContact CE2-CG2 4.36Å; F379-I421 HydrophobicContact CG-CD1 4.04Å; F379-I421 HydrophobicContact CZ-CD1 3.27Å; L412-I421 HydrophobicContact CB-CG2 4.12Å; L412-I421 HydrophobicContact CD1-CG2 4.32Å; L412-I421 HydrophobicContact CD2-CG2 4.41Å; V413-I421 CarbonylContact O-C 3.55Å; V413-I421 WeakPolarHBondContact O-CA 3.3Å; V414-I421 HydrophobicContact CG2-CG1 4.32Å
422	T	92.7	Very high	89.8	Confident	87 Å²	87	48 Å²	48	53%	0.534	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	134.7	176.8	-54.5	0	0	0	0	109.7	L412 V413	L412-T422 CarbonylContact C-O 3.48Å; L412-T422 WeakPolarHBondContact CA-O 3.41Å; V413-T422 PolarHBondContact N-O 3Å; V413-T422 PolarHBondContact O-N 3.49Å
423	S	92.3	Very high	89.8	Confident	56 Å²	56	47.6 Å²	47.6	39%	0.392	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	132.3	175.3	-174.2	0	0	0	0	110.7	T425	S423-T425 PolarHBondContact OG-N 2.96Å
424	L	91.3	Very high	89.6	Confident	27 Å²	27	48.4 Å²	48.4	14%	0.141	28%	0.276	C	S	.	.			trans	-92.5	-8	169.3	-59.4	-179.6	0	0	0	112.4	V400 L411 V413 P426 M443 L461 V470	V400-L424 HydrophobicContact CG1-CD1 4.43Å; L411-L424 HydrophobicContact CB-CB 4.14Å; L411-L424 PolarHBondContact O-N 3.45Å; V413-L424 HydrophobicContact CG2-CD1 3.35Å; V413-L424 HydrophobicContact CG2-CD2 3.71Å; V413-L424 HydrophobicContact CG2-CG 3.46Å; V413-L424 VanDerWaalsContact CG2-CG 3.46Å; L424-P426 VanDerWaalsContact O-CD 3.31Å; L424-P426 WeakPolarHBondContact O-CD 3.44Å; L424-M443 HydrophobicContact CD1-CE 3.97Å; L424-M443 HydrophobicContact CD1-SD 3.86Å; L424-L461 HydrophobicContact CD1-CD1 3.77Å; L424-L461 HydrophobicContact CD2-CD1 4.35Å; L424-V470 HydrophobicContact CB-CG2 4.31Å; L424-V470 HydrophobicContact CD1-CG2 4.32Å; L424-V470 HydrophobicContact CD2-CG2 3.93Å; L424-V470 HydrophobicContact CG-CG2 4.42Å
425	T	86.7	Confident	89.5	Confident	22 Å²	22	49.1 Å²	49.1	14%	0.135	28%	0.28	C	S	.	.	S	Bend	trans	-68	121.4	-179.1	-55.3	0	0	0	0	109.2	D410 L411 S423 W433	D410-T425 VanDerWaalsContact CA-OG1 3.22Å; D410-T425 WeakPolarHBondContact CA-OG1 3.38Å; D410-T425 WeakPolarHBondContact CB-OG1 3.3Å; D410-T425 VanDerWaalsContact OD1-CB 3.3Å; D410-T425 WeakPolarHBondContact OD1-CB 3.31Å; D410-T425 WeakPolarHBondContact OD1-CG2 3.46Å; D410-T425 PolarHBondContact OD1-OG1 3.35Å; L411-T425 PolarHBondContact N-OG1 2.92Å; S423-T425 PolarHBondContact OG-N 2.96Å; T425-W433 VanDerWaalsContact CG2-CD1 3.44Å; T425-W433 HydrophobicContact CG2-CG 4.13Å
426	P	81.7	Confident	89.3	Confident	44 Å²	44	50 Å²	50	29%	0.286	29%	0.285	S	S	.	.			trans	-61.4	142.1	173.4	-19.8	32.3	0	0	0	110.4	L424 S428 W433	L424-P426 VanDerWaalsContact O-CD 3.31Å; L424-P426 WeakPolarHBondContact O-CD 3.44Å; P426-S428 PolarHBondContact O-N 3.28Å; P426-S428 PolarHBondContact O-OG 2.86Å; P426-W433 HydrophobicContact CG-CH2 4.01Å; P426-W433 HydrophobicContact CG-CZ2 3.9Å
427	K	74	Confident	89.1	Confident	227 Å²	227	50 Å²	50	99%	0.987	28%	0.284	S	S	*	.	S	Bend	trans	-64	85.1	169.5	-65.5	-177.6	-178.1	177.5	0	109.3
428	S	71.1	Confident	89.2	Confident	43 Å²	43	46.3 Å²	46.3	30%	0.301	26%	0.258	S	S	.	.	S	Bend	trans	-137.6	168.2	-167.4	64	0	0	0	0	112.1	R408 P426 I430	R408-S428 PolarHBondContact NH1-O 2.89Å; P426-S428 PolarHBondContact O-N 3.28Å; P426-S428 PolarHBondContact O-OG 2.86Å; S428-I430 PolarHBondContact O-N 3.37Å; S428-I430 VanDerWaalsContact O-N 3.08Å; S428-I430 PolarHBondContact OG-N 2.96Å
429	E	75.9	Confident	89.1	Confident	163 Å²	163	43.7 Å²	43.7	76%	0.762	24%	0.239	S	C	*	.	S	Bend	trans	-71.3	12	170.7	-61	-175.5	177.6	0	0	113	S449 W486	E429-S449 PolarHBondContact O-OG 2.93Å; E429-W486 VanDerWaalsContact O-CZ2 3.31Å; E429-W486 WeakPolarHBondContact O-CZ2 3.32Å
430	I	83.6	Confident	89	Confident	24 Å²	24	47.6 Å²	47.6	12%	0.123	25%	0.25	C	C	.	.			trans	-91.8	121.5	176.3	-60.8	179.3	0	0	0	109.6	R408 S428 W433 C447 S449	R408-I430 PolarHBondContact NH1-O 2.92Å; S428-I430 PolarHBondContact O-N 3.37Å; S428-I430 VanDerWaalsContact O-N 3.08Å; S428-I430 PolarHBondContact OG-N 2.96Å; I430-W433 HydrophobicContact CB-CZ2 4.37Å; I430-W433 HydrophobicContact CD1-CZ2 3.76Å; I430-W433 HydrophobicContact CG2-CG 4.44Å; I430-W433 HydrophobicContact CG2-CZ2 4.4Å; I430-C447 HydrophobicContact CD1-CB 4.46Å; I430-C447 HydrophobicContact CG2-CB 3.91Å; I430-S449 VanDerWaalsContact CA-OG 3.3Å; I430-S449 WeakPolarHBondContact CA-OG 3.11Å
431	G	85.6	Confident	89.1	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.01	24%	0.239	C	C	.	.			trans	-90.2	-18.2	-175.8	0	0	0	0	0	114.9	R408 K409 S448 S449 A539	R408-G431 VanDerWaalsContact CA-O 3.28Å; R408-G431 WeakPolarHBondContact CA-O 3.12Å; K409-G431 PolarHBondContact N-O 2.84Å; G431-S448 PolarHBondContact N-O 2.95Å; G431-S449 PolarHBondContact N-OG 2.89Å; G431-A539 CarbonylContact C-O 3.59Å; G431-A539 VanDerWaalsContact C-O 3.27Å; G431-A539 WeakPolarHBondContact CA-O 3.45Å
432	N	94.3	Very high	89.1	Confident	6 Å²	6	45.3 Å²	45.3	3%	0.032	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	124.4	-175.9	179.5	44.2	0	0	0	112.1	K409 C447 S448 V538 E540	K409-N432 VanDerWaalsContact CB-OD1 3.25Å; K409-N432 WeakPolarHBondContact CB-OD1 3.21Å; K409-N432 VanDerWaalsContact CD-OD1 3.3Å; K409-N432 WeakPolarHBondContact CD-OD1 3.42Å; N432-C447 VanDerWaalsContact O-CA 3.22Å; N432-C447 WeakPolarHBondContact O-CA 3.46Å; N432-S448 PolarHBondContact N-O 2.77Å; N432-S448 VanDerWaalsContact N-O 3.11Å; N432-S448 PolarHBondContact ND2-OG 3.33Å; N432-S448 PolarHBondContact O-N 3.33Å; N432-S448 VanDerWaalsContact O-N 3.08Å; N432-V538 HydrophobicContact CB-CG2 4.45Å; N432-E540 HydrophobicContact CB-CB 3.6Å; N432-E540 PolarHBondContact ND2-OE2 3.3Å; N432-E540 VanDerWaalsContact ND2-OE2 3.16Å
433	W	94.7	Very high	89.3	Confident	1 Å²	1	41.2 Å²	41.2	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125.4	170.5	-67.3	74.8	0	0	0	110.6	K409 L411 T425 P426 I430 V445 C447 W472	K409-W433 PolarHBondContact O-N 3.2Å; L411-W433 HydrophobicContact CD1-CB 4.04Å; L411-W433 HydrophobicContact CD1-CE3 3.94Å; L411-W433 HydrophobicContact CG-CB 3.78Å; T425-W433 VanDerWaalsContact CG2-CD1 3.44Å; T425-W433 HydrophobicContact CG2-CG 4.13Å; P426-W433 HydrophobicContact CG-CH2 4.01Å; P426-W433 HydrophobicContact CG-CZ2 3.9Å; I430-W433 HydrophobicContact CB-CZ2 4.37Å; I430-W433 HydrophobicContact CD1-CZ2 3.76Å; I430-W433 HydrophobicContact CG2-CG 4.44Å; I430-W433 HydrophobicContact CG2-CZ2 4.4Å; W433-V445 HydrophobicContact CE3-CG2 3.9Å; W433-V445 HydrophobicContact CZ3-CG2 3.9Å; W433-C447 HydrophobicContact CD2-CB 3.96Å; W433-C447 HydrophobicContact CE3-CB 4.07Å; W433-C447 HydrophobicContact CG-CB 4.37Å; W433-C447 HydrophobicContact CZ3-CB 4.47Å; W433-W472 HydrophobicContact CE3-CZ2 4.38Å; W433-W472 AromaticContact CH2-CD1 3.85Å; W433-W472 HydrophobicContact CH2-CD2 4.09Å; W433-W472 AromaticContact CH2-CG 3.96Å; W433-W472 HydrophobicContact CH2-CG 3.96Å; W433-W472 AromaticContact CH2-NE1 3.85Å; W433-W472 AromaticContact CZ3-CD2 3.67Å; W433-W472 HydrophobicContact CZ3-CD2 3.67Å; W433-W472 AromaticContact CZ3-CE2 3.57Å; W433-W472 HydrophobicContact CZ3-CE3 4.13Å; W433-W472 HydrophobicContact CZ3-CG 4.04Å; W433-W472 HydrophobicContact CZ3-CH2 4.39Å; W433-W472 AromaticContact CZ3-CZ2 3.95Å; W433-W472 HydrophobicContact CZ3-CZ2 3.95Å; W433-W472 HydrophobicContact CZ3-CZ3 4.48Å; W433-W472 AromaticContact CZ3-NE1 3.88Å
434	C	92.9	Very high	89.6	Confident	26 Å²	26	38.5 Å²	38.5	18%	0.176	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	123.7	-179.9	-76	0	0	0	0	110.1	K409 L436 V445 S446	K409-C434 PolarHBondContact NZ-SG 3.38Å; C434-L436 PolarHBondContact O-N 2.96Å; C434-V445 CarbonylContact O-C 3.27Å; C434-V445 VanDerWaalsContact O-CA 3.24Å; C434-V445 WeakPolarHBondContact O-CA 3.28Å; C434-V445 WeakPolarHBondContact O-CB 3.43Å; C434-S446 PolarHBondContact N-O 2.92Å; C434-S446 PolarHBondContact O-N 3.24Å
435	L	94.5	Very high	89.8	Confident	17 Å²	17	37.2 Å²	37.2	9%	0.089	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	120.5	169.6	-176.2	68.3	0	0	0	109	V400 A402 L411 N437 I438 M443 V445	V400-L435 HydrophobicContact CB-CD2 3.87Å; V400-L435 HydrophobicContact CG1-CD2 3.91Å; A402-L435 HydrophobicContact CB-CB 4.33Å; L411-L435 HydrophobicContact CD2-CB 3.8Å; L435-N437 VanDerWaalsContact CD1-O 3.29Å; L435-N437 WeakPolarHBondContact CD1-O 3.3Å; L435-I438 HydrophobicContact CD1-CB 4.44Å; L435-I438 HydrophobicContact CD2-CG2 4.42Å; L435-M443 HydrophobicContact CD1-CB 4.14Å; L435-M443 HydrophobicContact CD1-CG 4.26Å; L435-V445 HydrophobicContact CD1-CG1 4.13Å
436	L	93.2	Very high	90.1	Very high	27 Å²	27	36.7 Å²	36.7	14%	0.141	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-39	173.7	-59.3	171.1	0	0	0	111	L45 A48 C434 V444 L456	L45-L436 HydrophobicContact CD1-CD1 4.39Å; L45-L436 HydrophobicContact CD2-CD1 3.26Å; L45-L436 HydrophobicContact CG-CD1 3.63Å; L45-L436 HydrophobicContact CG-CD2 4.43Å; A48-L436 HydrophobicContact CB-CB 3.84Å; A48-L436 HydrophobicContact CB-CD1 4.04Å; C434-L436 PolarHBondContact O-N 2.96Å; L436-V444 WeakPolarHBondContact CB-O 3.24Å; L436-V444 HydrophobicContact CD1-CG1 4.36Å; L436-V444 PolarHBondContact N-O 3.23Å; L436-L456 HydrophobicContact CD1-CD1 3.92Å
437	N	93.3	Very high	90.7	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.037	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	154.8	179.5	-150	-33.7	0	0	0	110.8	A48 D49 K390 L435 M443 V444	A48-N437 WeakPolarHBondContact O-CB 2.92Å; A48-N437 PolarHBondContact O-ND2 3.32Å; D49-N437 WeakPolarHBondContact CA-ND2 3.19Å; D49-N437 PolarHBondContact OD1-ND2 2.87Å; K390-N437 WeakPolarHBondContact CB-OD1 3.49Å; K390-N437 WeakPolarHBondContact CD-OD1 3.47Å; L435-N437 VanDerWaalsContact CD1-O 3.29Å; L435-N437 WeakPolarHBondContact CD1-O 3.3Å; N437-M443 WeakPolarHBondContact O-CA 3.42Å; N437-V444 HydrophobicContact CB-CB 4.49Å; N437-V444 PolarHBondContact N-O 3.01Å; N437-V444 PolarHBondContact O-N 2.71Å
438	I	95.3	Very high	91.8	Very high	3 Å²	3	24 Å²	24	2%	0.015	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	129.2	163.4	-176.3	175.6	0	0	0	107.9	K390 C391 V400 L435 L442 M443 L461	K390-I438 HydrophobicContact CB-CG2 4.39Å; K390-I438 VanDerWaalsContact CB-O 3.24Å; K390-I438 WeakPolarHBondContact CB-O 3.42Å; K390-I438 WeakPolarHBondContact O-CG2 3.46Å; C391-I438 VanDerWaalsContact CA-CG2 3.46Å; V400-I438 HydrophobicContact CG2-CD1 3.97Å; L435-I438 HydrophobicContact CD1-CB 4.44Å; L435-I438 HydrophobicContact CD2-CG2 4.42Å; I438-L442 WeakPolarHBondContact CA-O 3.46Å; I438-M443 HydrophobicContact CB-CG 4.09Å; I438-M443 HydrophobicContact CD1-CG 3.64Å; I438-M443 HydrophobicContact CD1-SD 4.39Å; I438-M443 HydrophobicContact CG1-CG 3.74Å; I438-L461 HydrophobicContact CD1-CB 4.29Å; I438-L461 HydrophobicContact CD1-CD2 4.07Å
439	E	93.2	Very high	93	Very high	38 Å²	38	22.1 Å²	22.1	18%	0.178	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	121.3	179.1	-177.4	66.3	-168.2	0	0	108.9	V50 K390 D441 L442	V50-E439 HydrophobicContact CB-CB 3.65Å; V50-E439 HydrophobicContact CB-CG 4.14Å; V50-E439 HydrophobicContact CG1-CB 4.02Å; V50-E439 HydrophobicContact CG1-CG 4.28Å; V50-E439 HydrophobicContact CG2-CB 4.07Å; K390-E439 WeakPolarHBondContact CD-OE2 3.4Å; K390-E439 WeakPolarHBondContact CE-OE2 3.43Å; K390-E439 VanDerWaalsContact NZ-CD 3.33Å; K390-E439 IonicContact NZ-OE1 3.09Å; K390-E439 IonicContact NZ-OE2 3.93Å; K390-E439 PolarHBondContact NZ-OE2 3.16Å; E439-D441 PolarHBondContact O-N 3.34Å; E439-L442 PolarHBondContact N-O 3.06Å; E439-L442 WeakPolarHBondContact O-CB 3.3Å; E439-L442 PolarHBondContact O-N 2.86Å
440	R	93.3	Very high	93.9	Very high	96 Å²	96	14.4 Å²	14.4	36%	0.362	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	48.5	-177.8	-59.2	170.1	-65.6	-104.8	2.4	111.5	G51 L442	G51-R440 PolarHBondContact O-NH2 2.86Å; R440-L442 PolarHBondContact O-N 2.86Å
441	D	95.8	Very high	94.5	Very high	33 Å²	33	14.5 Å²	14.5	18%	0.176	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	-5.4	-175.9	-60.9	-37.8	0	0	0	116.6	S393 A394 E439 M443 F460 L461	S393-D441 VanDerWaalsContact CA-OD1 3.28Å; S393-D441 WeakPolarHBondContact CA-OD1 3.27Å; S393-D441 WeakPolarHBondContact CB-OD1 3.47Å; A394-D441 VanDerWaalsContact CB-OD2 3.25Å; A394-D441 WeakPolarHBondContact CB-OD2 3.49Å; A394-D441 PolarHBondContact N-OD1 3.43Å; E439-D441 PolarHBondContact O-N 3.34Å; D441-M443 PolarHBondContact O-N 3.19Å; D441-F460 HydrophobicContact CB-CD1 4.32Å; D441-F460 CarbonylContact O-C 3.58Å; D441-F460 VanDerWaalsContact O-CA 3.31Å; D441-F460 WeakPolarHBondContact O-CA 3.5Å; D441-L461 HydrophobicContact CB-CB 4.09Å; D441-L461 PolarHBondContact O-N 3.35Å
442	L	96.8	Very high	94.9	Very high	4 Å²	4	15 Å²	15	2%	0.021	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	108.2	170.5	-179.6	60.1	0	0	0	109.8	V50 I65 V95 I438 E439 R440 V458 F460	V50-L442 HydrophobicContact CG1-CD2 4.09Å; I65-L442 HydrophobicContact CD1-CD2 4.49Å; V95-L442 HydrophobicContact CG2-CD1 4.36Å; I438-L442 WeakPolarHBondContact CA-O 3.46Å; E439-L442 PolarHBondContact N-O 3.06Å; E439-L442 WeakPolarHBondContact O-CB 3.3Å; E439-L442 PolarHBondContact O-N 2.86Å; R440-L442 PolarHBondContact O-N 2.86Å; L442-V458 HydrophobicContact CD1-CB 4.11Å; L442-F460 HydrophobicContact CB-CD1 4.31Å; L442-F460 HydrophobicContact CB-CE1 3.85Å; L442-F460 HydrophobicContact CB-CZ 4Å; L442-F460 HydrophobicContact CD1-CD2 4.07Å; L442-F460 HydrophobicContact CD1-CE2 3.8Å; L442-F460 HydrophobicContact CD1-CZ 4.02Å; L442-F460 HydrophobicContact CG-CZ 4.42Å
443	M	96.9	Very high	95	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	140	175.6	-61.8	178.1	-69.7	0	0	110.9	V400 L424 L435 N437 I438 D441 V445 V458 G459 L461 V470 W472	V400-M443 HydrophobicContact CG1-SD 4.33Å; V400-M443 HydrophobicContact CG2-SD 4.28Å; L424-M443 HydrophobicContact CD1-CE 3.97Å; L424-M443 HydrophobicContact CD1-SD 3.86Å; L435-M443 HydrophobicContact CD1-CB 4.14Å; L435-M443 HydrophobicContact CD1-CG 4.26Å; N437-M443 WeakPolarHBondContact O-CA 3.42Å; I438-M443 HydrophobicContact CB-CG 4.09Å; I438-M443 HydrophobicContact CD1-CG 3.64Å; I438-M443 HydrophobicContact CD1-SD 4.39Å; I438-M443 HydrophobicContact CG1-CG 3.74Å; D441-M443 PolarHBondContact O-N 3.19Å; M443-V445 HydrophobicContact CB-CG1 4.31Å; M443-V458 WeakPolarHBondContact O-CA 3.29Å; M443-G459 WeakPolarHBondContact CA-O 3.39Å; M443-G459 WeakPolarHBondContact CB-O 3.44Å; M443-G459 PolarHBondContact N-O 3.21Å; M443-G459 PolarHBondContact O-N 3.18Å; M443-G459 VanDerWaalsContact O-N 3.14Å; M443-L461 HydrophobicContact CE-CB 4.11Å; M443-L461 HydrophobicContact CE-CD1 4.5Å; M443-L461 HydrophobicContact SD-CB 4.31Å; M443-L461 HydrophobicContact SD-CD1 4.47Å; M443-V470 HydrophobicContact CE-CG1 4.04Å; M443-V470 HydrophobicContact CE-CG2 3.96Å; M443-W472 HydrophobicContact CB-CZ3 4.42Å; M443-W472 HydrophobicContact CE-CH2 3.69Å; M443-W472 HydrophobicContact CE-CZ2 4.31Å; M443-W472 HydrophobicContact CE-CZ3 4.3Å; M443-W472 HydrophobicContact SD-CH2 4.35Å
444	V	96.6	Very high	94.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.8	168.2	-168.1	0	0	0	0	108.2	A48 V50 I65 L436 N437 L456 V458	A48-V444 HydrophobicContact CB-CB 4.09Å; A48-V444 HydrophobicContact CB-CG1 3.65Å; V50-V444 HydrophobicContact CG2-CG2 3.51Å; I65-V444 HydrophobicContact CD1-CG2 3.98Å; I65-V444 HydrophobicContact CG2-CG1 4.36Å; I65-V444 HydrophobicContact CG2-CG2 4.29Å; L436-V444 WeakPolarHBondContact CB-O 3.24Å; L436-V444 HydrophobicContact CD1-CG1 4.36Å; L436-V444 PolarHBondContact N-O 3.23Å; N437-V444 HydrophobicContact CB-CB 4.49Å; N437-V444 PolarHBondContact N-O 3.01Å; N437-V444 PolarHBondContact O-N 2.71Å; V444-L456 HydrophobicContact CG1-CD1 3.49Å; V444-L456 VanDerWaalsContact CG1-CD1 3.49Å; V444-L456 HydrophobicContact CG1-CG 4.47Å; V444-V458 HydrophobicContact CB-CG1 4.42Å; V444-V458 HydrophobicContact CG1-CG1 4.23Å; V444-V458 HydrophobicContact CG2-CG1 4.1Å
445	V	95.6	Very high	94.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	143	-172.3	-53.9	0	0	0	0	111.5	L411 W433 C434 L435 M443 L456 R457 W472	L411-V445 HydrophobicContact CD1-CB 4.34Å; L411-V445 HydrophobicContact CD1-CG1 3.68Å; W433-V445 HydrophobicContact CE3-CG2 3.9Å; W433-V445 HydrophobicContact CZ3-CG2 3.9Å; C434-V445 CarbonylContact O-C 3.27Å; C434-V445 VanDerWaalsContact O-CA 3.24Å; C434-V445 WeakPolarHBondContact O-CA 3.28Å; C434-V445 WeakPolarHBondContact O-CB 3.43Å; L435-V445 HydrophobicContact CD1-CG1 4.13Å; M443-V445 HydrophobicContact CB-CG1 4.31Å; V445-L456 WeakPolarHBondContact O-CD1 3.34Å; V445-R457 HydrophobicContact CG2-CB 3.81Å; V445-R457 PolarHBondContact N-O 3.26Å; V445-R457 PolarHBondContact O-N 3.29Å; V445-W472 HydrophobicContact CB-CZ3 4.25Å; V445-W472 HydrophobicContact CG1-CH2 3.72Å; V445-W472 HydrophobicContact CG1-CZ3 3.68Å; V445-W472 HydrophobicContact CG2-CE3 3.85Å; V445-W472 HydrophobicContact CG2-CH2 4.04Å; V445-W472 HydrophobicContact CG2-CZ3 3.47Å; V445-W472 VanDerWaalsContact CG2-CZ3 3.47Å
446	S	94.8	Very high	94.9	Very high	11 Å²	11	13.9 Å²	13.9	8%	0.077	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	136.6	165.1	-176.6	0	0	0	0	108.7	C434 N455	C434-S446 PolarHBondContact N-O 2.92Å; C434-S446 PolarHBondContact O-N 3.24Å; S446-N455 WeakPolarHBondContact CA-O 3.25Å
447	C	94.3	Very high	95	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138.1	176.6	58.8	0	0	0	0	112.2	I430 N432 W433 P454 N455	I430-C447 HydrophobicContact CD1-CB 4.46Å; I430-C447 HydrophobicContact CG2-CB 3.91Å; N432-C447 VanDerWaalsContact O-CA 3.22Å; N432-C447 WeakPolarHBondContact O-CA 3.46Å; W433-C447 HydrophobicContact CD2-CB 3.96Å; W433-C447 HydrophobicContact CE3-CB 4.07Å; W433-C447 HydrophobicContact CG-CB 4.37Å; W433-C447 HydrophobicContact CZ3-CB 4.47Å; C447-P454 WeakPolarHBondContact O-CA 3.43Å; C447-N455 PolarHBondContact N-O 2.96Å; C447-N455 PolarHBondContact O-N 3.07Å
448	S	95.7	Very high	95.2	Very high	4 Å²	4	15 Å²	15	3%	0.028	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	165.8	-177.8	66.8	0	0	0	0	112.2	G431 N432 C452 W541	G431-S448 PolarHBondContact N-O 2.95Å; N432-S448 PolarHBondContact N-O 2.77Å; N432-S448 VanDerWaalsContact N-O 3.11Å; N432-S448 PolarHBondContact ND2-OG 3.33Å; N432-S448 PolarHBondContact O-N 3.33Å; N432-S448 VanDerWaalsContact O-N 3.08Å; S448-C452 WeakPolarHBondContact CB-O 3.44Å; S448-W541 PolarHBondContact OG-N 3.14Å
449	S	95.8	Very high	95.3	Very high	4 Å²	4	14.8 Å²	14.8	3%	0.028	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	165.2	172.4	-68.5	0	0	0	0	109.3	E429 I430 G431 N451 C452 W541	E429-S449 PolarHBondContact O-OG 2.93Å; I430-S449 VanDerWaalsContact CA-OG 3.3Å; I430-S449 WeakPolarHBondContact CA-OG 3.11Å; G431-S449 PolarHBondContact N-OG 2.89Å; S449-N451 WeakPolarHBondContact CB-OD1 3.4Å; S449-N451 PolarHBondContact O-N 2.94Å; S449-C452 PolarHBondContact N-O 3.4Å; S449-C452 CarbonylContact O-C 3.55Å; S449-C452 PolarHBondContact O-N 3.06Å; S449-W541 WeakPolarHBondContact O-CA 3.29Å; S449-W541 WeakPolarHBondContact O-CB 3.35Å; S449-W541 PolarHBondContact O-N 3.48Å
450	P	96.3	Very high	95.4	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.006	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-25.3	179.1	-26.3	36.9	0	0	0	114.2	W486 V510 M512 A539 E540 S546	P450-W486 HydrophobicContact CB-CB 4.07Å; P450-W486 HydrophobicContact CB-CD2 4.37Å; P450-W486 HydrophobicContact CB-CG 3.91Å; P450-W486 HydrophobicContact CG-CB 4.23Å; P450-W486 HydrophobicContact CG-CD2 3.73Å; P450-W486 HydrophobicContact CG-CE3 4.01Å; P450-W486 HydrophobicContact CG-CG 3.81Å; P450-V510 HydrophobicContact CG-CG1 4.07Å; P450-M512 HydrophobicContact CB-CE 3.6Å; P450-M512 HydrophobicContact CB-CG 3.95Å; P450-M512 HydrophobicContact CB-SD 3.74Å; P450-M512 VanDerWaalsContact O-CE 3.25Å; P450-M512 WeakPolarHBondContact O-CE 3.26Å; P450-A539 WeakPolarHBondContact CD-O 3.32Å; P450-A539 HydrophobicContact CG-CB 4.05Å; P450-E540 WeakPolarHBondContact CA-O 3.43Å; P450-S546 PolarHBondContact O-OG 3.01Å
451	N	95.6	Very high	95.6	Very high	25 Å²	25	9.5 Å²	9.5	13%	0.134	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	3.7	176	69.9	-20.7	0	0	0	114.2	S449 L481 I484 W486	S449-N451 WeakPolarHBondContact CB-OD1 3.4Å; S449-N451 PolarHBondContact O-N 2.94Å; N451-L481 WeakPolarHBondContact O-CB 3.29Å; N451-L481 PolarHBondContact O-N 3.4Å; N451-I484 HydrophobicContact CB-CB 3.76Å; N451-I484 HydrophobicContact CB-CG2 3.87Å; N451-W486 PolarHBondContact OD1-NE1 2.9Å
452	C	94.9	Very high	95.4	Very high	13 Å²	13	8.9 Å²	8.9	9%	0.088	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	111.3	-175.2	-170.3	0	0	0	0	110.4	S448 S449 N455 T480	S448-C452 WeakPolarHBondContact CB-O 3.44Å; S449-C452 PolarHBondContact N-O 3.4Å; S449-C452 CarbonylContact O-C 3.55Å; S449-C452 PolarHBondContact O-N 3.06Å; C452-N455 PolarHBondContact SG-ND2 3.34Å; C452-T480 HydrophobicContact CB-CG2 4.27Å
453	P	94.5	Very high	95.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	163.2	175.3	-19.2	29.4	0	0	0	112.6	F42 N455 S478 Q479 W541	F42-P453 HydrophobicContact CB-CB 3.97Å; F42-P453 HydrophobicContact CB-CG 4.32Å; F42-P453 HydrophobicContact CD1-CB 3.79Å; F42-P453 HydrophobicContact CD1-CG 3.66Å; F42-P453 HydrophobicContact CD2-CB 4.27Å; F42-P453 HydrophobicContact CD2-CG 3.67Å; F42-P453 HydrophobicContact CE1-CB 4.36Å; F42-P453 HydrophobicContact CE1-CG 3.8Å; F42-P453 HydrophobicContact CE2-CG 3.8Å; F42-P453 HydrophobicContact CG-CB 3.74Å; F42-P453 HydrophobicContact CG-CG 3.6Å; F42-P453 HydrophobicContact CZ-CG 3.87Å; P453-N455 PolarHBondContact O-N 3.38Å; P453-N455 PolarHBondContact O-ND2 3.47Å; P453-S478 WeakPolarHBondContact O-CB 3.43Å; P453-Q479 WeakPolarHBondContact CD-O 3.33Å; P453-W541 HydrophobicContact CB-CD2 4.01Å; P453-W541 HydrophobicContact CB-CE3 4.48Å; P453-W541 HydrophobicContact CB-CG 4.18Å; P453-W541 HydrophobicContact CG-CD2 3.87Å; P453-W541 HydrophobicContact CG-CE3 3.94Å; P453-W541 HydrophobicContact CG-CH2 4.06Å; P453-W541 HydrophobicContact CG-CZ2 3.97Å; P453-W541 HydrophobicContact CG-CZ3 4.03Å
454	P	93.1	Very high	94.6	Very high	17 Å²	17	14.9 Å²	14.9	11%	0.11	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.3	127.6	-175.9	-28.2	36.2	0	0	0	113.8	C447 S478	C447-P454 WeakPolarHBondContact O-CA 3.43Å; P454-S478 PolarHBondContact O-OG 3.11Å
455	N	93	Very high	94	Very high	8 Å²	8	21.5 Å²	21.5	4%	0.043	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	148	168.8	-59.3	-77.3	0	0	0	109.3	S446 C447 C452 P453 E476 E477 S478	S446-N455 WeakPolarHBondContact CA-O 3.25Å; C447-N455 PolarHBondContact N-O 2.96Å; C447-N455 PolarHBondContact O-N 3.07Å; C452-N455 PolarHBondContact SG-ND2 3.34Å; P453-N455 PolarHBondContact O-N 3.38Å; P453-N455 PolarHBondContact O-ND2 3.47Å; N455-E476 WeakPolarHBondContact CA-O 3.3Å; N455-E477 WeakPolarHBondContact OD1-CA 3.2Å; N455-S478 PolarHBondContact OD1-N 3.3Å
456	L	95.3	Very high	93.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.2	173.9	-178.1	59.7	0	0	0	109.9	L45 T67 W69 Y86 L436 V444 V445 L475 E476	L45-L456 HydrophobicContact CD2-CB 4.29Å; L45-L456 HydrophobicContact CD2-CD1 3.55Å; L45-L456 HydrophobicContact CD2-CG 4.33Å; T67-L456 HydrophobicContact CG2-CD2 3.73Å; W69-L456 HydrophobicContact CH2-CB 4.43Å; W69-L456 HydrophobicContact CZ2-CD2 4.26Å; Y86-L456 HydrophobicContact CD2-CD2 4.24Å; Y86-L456 HydrophobicContact CE2-CD2 3.66Å; L436-L456 HydrophobicContact CD1-CD1 3.92Å; V444-L456 HydrophobicContact CG1-CD1 3.49Å; V444-L456 VanDerWaalsContact CG1-CD1 3.49Å; V444-L456 HydrophobicContact CG1-CG 4.47Å; V445-L456 WeakPolarHBondContact O-CD1 3.34Å; L456-L475 HydrophobicContact CB-CB 4.37Å; L456-L475 HydrophobicContact CD2-CB 4.02Å; L456-L475 HydrophobicContact CD2-CD1 3.98Å; L456-L475 HydrophobicContact CG-CB 4.02Å; L456-L475 HydrophobicContact CG-CD1 4.14Å; L456-L475 HydrophobicContact CG-CG 4.49Å; L456-L475 PolarHBondContact O-N 3.25Å; L456-E476 HydrophobicContact CB-CB 3.91Å; L456-E476 PolarHBondContact N-O 3.27Å; L456-E476 PolarHBondContact O-N 2.94Å
457	R	95.4	Very high	92.7	Very high	57 Å²	57	32 Å²	32	22%	0.215	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	159	178.2	-58.8	-172.6	175.2	-179.9	0.5	111.6	V445 W472 V473	V445-R457 HydrophobicContact CG2-CB 3.81Å; V445-R457 PolarHBondContact N-O 3.26Å; V445-R457 PolarHBondContact O-N 3.29Å; R457-W472 HydrophobicContact CB-CE3 4.36Å; R457-V473 CarbonylContact C-O 3.57Å; R457-V473 VanDerWaalsContact CA-O 3.25Å; R457-V473 WeakPolarHBondContact CA-O 3.34Å
458	V	97.1	Very high	92.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	151.8	172.6	-68.6	0	0	0	0	111.2	I65 V95 L442 M443 V444 W472 V473 L475	I65-V458 HydrophobicContact CD1-CG1 3.56Å; V95-V458 HydrophobicContact CG2-CG2 4.04Å; L442-V458 HydrophobicContact CD1-CB 4.11Å; M443-V458 WeakPolarHBondContact O-CA 3.29Å; V444-V458 HydrophobicContact CB-CG1 4.42Å; V444-V458 HydrophobicContact CG1-CG1 4.23Å; V444-V458 HydrophobicContact CG2-CG1 4.1Å; V458-W472 WeakPolarHBondContact O-CA 3.49Å; V458-V473 HydrophobicContact CG2-CB 4.18Å; V458-V473 PolarHBondContact N-O 3.32Å; V458-V473 PolarHBondContact O-N 3.46Å; V458-L475 HydrophobicContact CG1-CD1 3.51Å; V458-L475 HydrophobicContact CG1-CG 3.98Å; V458-L475 HydrophobicContact CG2-CD1 4.34Å; V458-L475 HydrophobicContact CG2-CD2 3.86Å; V458-L475 HydrophobicContact CG2-CG 4Å
459	G	96.2	Very high	91.9	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	149.8	176.8	0	0	0	0	0	110.1	M443	M443-G459 WeakPolarHBondContact CA-O 3.39Å; M443-G459 WeakPolarHBondContact CB-O 3.44Å; M443-G459 PolarHBondContact N-O 3.21Å; M443-G459 PolarHBondContact O-N 3.18Å; M443-G459 VanDerWaalsContact O-N 3.14Å
460	F	96.7	Very high	91.8	Very high	15 Å²	15	47.6 Å²	47.6	7%	0.066	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	140.1	174.5	-81.6	-89.2	0	0	0	110.5	H90 K93 V95 D441 L442 P462	H90-F460 HydrophobicContact CB-CE2 3.63Å; H90-F460 HydrophobicContact CB-CZ 3.75Å; H90-F460 AromaticContact CG-CZ 3.72Å; H90-F460 AromaticContact ND1-CZ 3.83Å; K93-F460 VanDerWaalsContact O-CB 3.26Å; K93-F460 WeakPolarHBondContact O-CB 3.3Å; V95-F460 HydrophobicContact CG2-CD2 4.29Å; V95-F460 HydrophobicContact CG2-CE2 4.12Å; D441-F460 HydrophobicContact CB-CD1 4.32Å; D441-F460 CarbonylContact O-C 3.58Å; D441-F460 VanDerWaalsContact O-CA 3.31Å; D441-F460 WeakPolarHBondContact O-CA 3.5Å; L442-F460 HydrophobicContact CB-CD1 4.31Å; L442-F460 HydrophobicContact CB-CE1 3.85Å; L442-F460 HydrophobicContact CB-CZ 4Å; L442-F460 HydrophobicContact CD1-CD2 4.07Å; L442-F460 HydrophobicContact CD1-CE2 3.8Å; L442-F460 HydrophobicContact CD1-CZ 4.02Å; L442-F460 HydrophobicContact CG-CZ 4.42Å; F460-P462 VanDerWaalsContact O-CD 3.3Å; F460-P462 WeakPolarHBondContact O-CD 3.19Å
461	L	96.2	Very high	91.7	Very high	7 Å²	7	53 Å²	53	4%	0.037	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-69.9	118	169.2	179.1	65.8	0	0	0	108.3	V400 V413 L424 I438 D441 M443	V400-L461 HydrophobicContact CG2-CD1 4.37Å; V400-L461 HydrophobicContact CG2-CD2 4.12Å; V413-L461 HydrophobicContact CG2-CD1 3.62Å; L424-L461 HydrophobicContact CD1-CD1 3.77Å; L424-L461 HydrophobicContact CD2-CD1 4.35Å; I438-L461 HydrophobicContact CD1-CB 4.29Å; I438-L461 HydrophobicContact CD1-CD2 4.07Å; D441-L461 HydrophobicContact CB-CB 4.09Å; D441-L461 PolarHBondContact O-N 3.35Å; M443-L461 HydrophobicContact CE-CB 4.11Å; M443-L461 HydrophobicContact CE-CD1 4.5Å; M443-L461 HydrophobicContact SD-CB 4.31Å; M443-L461 HydrophobicContact SD-CD1 4.47Å
462	P	93.5	Very high	91.6	Very high	21 Å²	21	53.6 Å²	53.6	14%	0.136	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-60.7	153.1	178.7	-22.9	33.9	0	0	0	110.7	R398 F460 E468 V470	R398-P462 PolarHBondContact NH1-O 2.89Å; R398-P462 PolarHBondContact NH2-O 3.22Å; F460-P462 VanDerWaalsContact O-CD 3.3Å; F460-P462 WeakPolarHBondContact O-CD 3.19Å; P462-E468 WeakPolarHBondContact CG-O 3.29Å; P462-V470 HydrophobicContact CG-CG2 4.1Å
463	G	90.6	Very high	91.6	Very high	45 Å²	45	54.7 Å²	54.7	46%	0.464	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-56.7	153.6	174.6	0	0	0	0	0	112.3	D465 S466	G463-D465 VanDerWaalsContact C-N 3.28Å; G463-D465 PolarHBondContact O-N 3.28Å; G463-D465 VanDerWaalsContact O-N 3.15Å; G463-S466 WeakPolarHBondContact O-CB 3.36Å; G463-S466 PolarHBondContact O-N 3.23Å
464	K	84.8	Confident	91.6	Very high	84 Å²	84	57.2 Å²	57.2	37%	0.365	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-44	-172.9	174.3	173.5	165.7	158.3	0	114.4	D415 S417	D415-K464 IonicContact OD1-NZ 2.77Å; D415-K464 WeakPolarHBondContact OD2-CD 3.19Å; D415-K464 WeakPolarHBondContact OD2-CE 3.42Å; D415-K464 IonicContact OD2-NZ 2.6Å; D415-K464 PolarHBondContact OD2-NZ 3.01Å; S417-K464 PolarHBondContact OG-NZ 3.13Å
465	D	85.2	Confident	91.6	Very high	140 Å²	140	57.3 Å²	57.3	75%	0.749	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	7	-177.6	-53.3	-51.5	0	0	0	113	G463	G463-D465 VanDerWaalsContact C-N 3.28Å; G463-D465 PolarHBondContact O-N 3.28Å; G463-D465 VanDerWaalsContact O-N 3.15Å
466	S	84.4	Confident	91.5	Very high	43 Å²	43	59.4 Å²	59.4	30%	0.301	31%	0.311	S	S	.	.			trans	-72.1	139.5	178.1	-169.3	0	0	0	0	110.8	G463 E468	G463-S466 WeakPolarHBondContact O-CB 3.36Å; G463-S466 PolarHBondContact O-N 3.23Å; S466-E468 VanDerWaalsContact C-N 3.34Å; S466-E468 WeakPolarHBondContact OG-CB 3.47Å; S466-E468 WeakPolarHBondContact OG-CG 3.23Å; S466-E468 PolarHBondContact OG-N 3.32Å; S466-E468 VanDerWaalsContact OG-N 3.12Å
467	Q	79.1	Confident	91.3	Very high	187 Å²	187	66.7 Å²	66.7	87%	0.874	35%	0.345	S	S	*	.			trans	-94.3	3.8	169.6	-60.4	-64.3	-56.2	0	0	111.7
468	E	84.2	Confident	91	Very high	150 Å²	150	64.9 Å²	64.9	70%	0.701	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-74.2	137.3	179.4	-64	176.6	167.2	0	0	111	P462 S466	P462-E468 WeakPolarHBondContact CG-O 3.29Å; S466-E468 VanDerWaalsContact C-N 3.34Å; S466-E468 WeakPolarHBondContact OG-CB 3.47Å; S466-E468 WeakPolarHBondContact OG-CG 3.23Å; S466-E468 PolarHBondContact OG-N 3.32Å; S466-E468 VanDerWaalsContact OG-N 3.12Å
469	E	88.9	Confident	90.6	Very high	170 Å²	170	70.2 Å²	70.2	79%	0.794	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-77.3	154.8	169.3	-65	-173.6	169.5	0	0	110.8	V471	E469-V471 PolarHBondContact O-N 3.48Å
470	V	92.7	Very high	90.3	Very high	17 Å²	17	73.3 Å²	73.3	10%	0.103	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-64.8	122.4	174.2	-178	0	0	0	0	109.6	L424 M443 P462 W472	L424-V470 HydrophobicContact CB-CG2 4.31Å; L424-V470 HydrophobicContact CD1-CG2 4.32Å; L424-V470 HydrophobicContact CD2-CG2 3.93Å; L424-V470 HydrophobicContact CG-CG2 4.42Å; M443-V470 HydrophobicContact CE-CG1 4.04Å; M443-V470 HydrophobicContact CE-CG2 3.96Å; P462-V470 HydrophobicContact CG-CG2 4.1Å; V470-W472 HydrophobicContact CB-CD2 4.45Å; V470-W472 HydrophobicContact CB-CZ2 4.01Å; V470-W472 HydrophobicContact CG1-CD2 3.66Å; V470-W472 VanDerWaalsContact CG1-CE2 3.42Å; V470-W472 HydrophobicContact CG1-CE3 4Å; V470-W472 HydrophobicContact CG1-CG 4.19Å; V470-W472 HydrophobicContact CG1-CH2 3.96Å; V470-W472 HydrophobicContact CG1-CZ2 3.61Å; V470-W472 HydrophobicContact CG1-CZ3 4.13Å; V470-W472 HydrophobicContact CG2-CZ2 4.26Å; V470-W472 PolarHBondContact O-N 3.28Å
471	V	93.6	Very high	90.2	Very high	113 Å²	113	73.1 Å²	73.1	69%	0.685	38%	0.384	S	S	*	.			trans	-83.5	103.4	169.9	-177.2	0	0	0	0	109.2	E469	E469-V471 PolarHBondContact O-N 3.48Å
472	W	94.1	Very high	90	Very high	38 Å²	38	76.9 Å²	76.9	14%	0.144	41%	0.409	C	S	.	.			trans	-83.4	126.1	179.6	-63.3	104.8	0	0	0	112.1	L411 W433 M443 V445 R457 V458 V470	L411-W472 HydrophobicContact CD1-CH2 3.84Å; L411-W472 HydrophobicContact CD1-CZ2 3.99Å; W433-W472 HydrophobicContact CE3-CZ2 4.38Å; W433-W472 AromaticContact CH2-CD1 3.85Å; W433-W472 HydrophobicContact CH2-CD2 4.09Å; W433-W472 AromaticContact CH2-CG 3.96Å; W433-W472 HydrophobicContact CH2-CG 3.96Å; W433-W472 AromaticContact CH2-NE1 3.85Å; W433-W472 AromaticContact CZ3-CD2 3.67Å; W433-W472 HydrophobicContact CZ3-CD2 3.67Å; W433-W472 AromaticContact CZ3-CE2 3.57Å; W433-W472 HydrophobicContact CZ3-CE3 4.13Å; W433-W472 HydrophobicContact CZ3-CG 4.04Å; W433-W472 HydrophobicContact CZ3-CH2 4.39Å; W433-W472 AromaticContact CZ3-CZ2 3.95Å; W433-W472 HydrophobicContact CZ3-CZ2 3.95Å; W433-W472 HydrophobicContact CZ3-CZ3 4.48Å; W433-W472 AromaticContact CZ3-NE1 3.88Å; M443-W472 HydrophobicContact CB-CZ3 4.42Å; M443-W472 HydrophobicContact CE-CH2 3.69Å; M443-W472 HydrophobicContact CE-CZ2 4.31Å; M443-W472 HydrophobicContact CE-CZ3 4.3Å; M443-W472 HydrophobicContact SD-CH2 4.35Å; V445-W472 HydrophobicContact CB-CZ3 4.25Å; V445-W472 HydrophobicContact CG1-CH2 3.72Å; V445-W472 HydrophobicContact CG1-CZ3 3.68Å; V445-W472 HydrophobicContact CG2-CE3 3.85Å; V445-W472 HydrophobicContact CG2-CH2 4.04Å; V445-W472 HydrophobicContact CG2-CZ3 3.47Å; V445-W472 VanDerWaalsContact CG2-CZ3 3.47Å; R457-W472 HydrophobicContact CB-CE3 4.36Å; V458-W472 WeakPolarHBondContact O-CA 3.49Å; V470-W472 HydrophobicContact CB-CD2 4.45Å; V470-W472 HydrophobicContact CB-CZ2 4.01Å; V470-W472 HydrophobicContact CG1-CD2 3.66Å; V470-W472 VanDerWaalsContact CG1-CE2 3.42Å; V470-W472 HydrophobicContact CG1-CE3 4Å; V470-W472 HydrophobicContact CG1-CG 4.19Å; V470-W472 HydrophobicContact CG1-CH2 3.96Å; V470-W472 HydrophobicContact CG1-CZ2 3.61Å; V470-W472 HydrophobicContact CG1-CZ3 4.13Å; V470-W472 HydrophobicContact CG2-CZ2 4.26Å; V470-W472 PolarHBondContact O-N 3.28Å
473	V	95.3	Very high	89.9	Confident	37 Å²	37	78.9 Å²	78.9	22%	0.224	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129.5	174	178.8	0	0	0	0	110	V95 S98 R457 V458	V95-V473 HydrophobicContact CB-CB 4.33Å; V95-V473 HydrophobicContact CB-CG2 3.82Å; V95-V473 HydrophobicContact CG1-CB 4.16Å; V95-V473 HydrophobicContact CG1-CG1 4.11Å; V95-V473 HydrophobicContact CG1-CG2 4Å; S98-V473 WeakPolarHBondContact OG-CG1 3.4Å; R457-V473 CarbonylContact C-O 3.57Å; R457-V473 VanDerWaalsContact CA-O 3.25Å; R457-V473 WeakPolarHBondContact CA-O 3.34Å; V458-V473 HydrophobicContact CG2-CB 4.18Å; V458-V473 PolarHBondContact N-O 3.32Å; V458-V473 PolarHBondContact O-N 3.46Å
474	T	94.3	Very high	90.1	Very high	53 Å²	53	77 Å²	77	33%	0.325	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	124.7	179.1	-56.1	0	0	0	0	111	E476 E477	T474-E476 WeakPolarHBondContact CG2-O 3.08Å; T474-E477 HydrophobicContact CG2-CB 3.94Å
475	L	93.6	Very high	90.6	Very high	19 Å²	19	75.8 Å²	75.8	10%	0.099	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-40.1	171.9	-62.4	-172	0	0	0	112.1	I65 Y86 V88 L456 V458	I65-L475 HydrophobicContact CD1-CD1 3.87Å; Y86-L475 HydrophobicContact CD1-CB 4.01Å; Y86-L475 HydrophobicContact CD1-CD1 4.49Å; Y86-L475 HydrophobicContact CD2-CD1 4.42Å; Y86-L475 HydrophobicContact CE1-CB 4.13Å; Y86-L475 HydrophobicContact CG-CB 4.47Å; Y86-L475 HydrophobicContact CG-CD1 4.15Å; V88-L475 HydrophobicContact CG2-CD1 4.45Å; V88-L475 HydrophobicContact CG2-CD2 3.95Å; L456-L475 HydrophobicContact CB-CB 4.37Å; L456-L475 HydrophobicContact CD2-CB 4.02Å; L456-L475 HydrophobicContact CD2-CD1 3.98Å; L456-L475 HydrophobicContact CG-CB 4.02Å; L456-L475 HydrophobicContact CG-CD1 4.14Å; L456-L475 HydrophobicContact CG-CG 4.49Å; L456-L475 PolarHBondContact O-N 3.25Å; V458-L475 HydrophobicContact CG1-CD1 3.51Å; V458-L475 HydrophobicContact CG1-CG 3.98Å; V458-L475 HydrophobicContact CG2-CD1 4.34Å; V458-L475 HydrophobicContact CG2-CD2 3.86Å; V458-L475 HydrophobicContact CG2-CG 4Å
476	E	91.3	Very high	91.2	Very high	52 Å²	52	70.5 Å²	70.5	24%	0.243	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	126.4	177.4	-169.5	69.8	-178.7	0	0	109.1	W69 R84 N455 L456 T474	W69-E476 HydrophobicContact CH2-CB 4.49Å; W69-E476 HydrophobicContact CH2-CG 4.38Å; R84-E476 IonicContact CZ-OE1 3.64Å; R84-E476 IonicContact CZ-OE2 2.86Å; R84-E476 IonicContact NH1-OE1 3.54Å; R84-E476 PolarHBondContact NH1-OE1 3.12Å; R84-E476 IonicContact NH1-OE2 2.62Å; R84-E476 PolarHBondContact NH1-OE2 3.22Å; R84-E476 IonicContact NH2-OE1 2.9Å; R84-E476 IonicContact NH2-OE2 2.66Å; R84-E476 PolarHBondContact NH2-OE2 2.91Å; N455-E476 WeakPolarHBondContact CA-O 3.3Å; L456-E476 HydrophobicContact CB-CB 3.91Å; L456-E476 PolarHBondContact N-O 3.27Å; L456-E476 PolarHBondContact O-N 2.94Å; T474-E476 WeakPolarHBondContact CG2-O 3.08Å
477	E	90.1	Very high	91.7	Very high	152 Å²	152	71.3 Å²	71.3	71%	0.71	36%	0.364	S	S	*	.			trans	-109.4	125.7	179.4	-169.9	172.9	-155.2	0	0	110.1	N455 T474	N455-E477 WeakPolarHBondContact OD1-CA 3.2Å; T474-E477 HydrophobicContact CG2-CB 3.94Å
478	S	89.2	Confident	92.6	Very high	20 Å²	20	64.4 Å²	64.4	14%	0.14	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-92.3	142.3	170.8	-77.4	0	0	0	0	110.1	P453 P454 N455 T480	P453-S478 WeakPolarHBondContact O-CB 3.43Å; P454-S478 PolarHBondContact O-OG 3.11Å; N455-S478 PolarHBondContact OD1-N 3.3Å; S478-T480 PolarHBondContact O-N 3.48Å
479	Q	88.4	Confident	93.2	Very high	112 Å²	112	60.7 Å²	60.7	52%	0.523	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-66.5	118	178	-179.2	175.5	2.2	0	0	110.7	P453	P453-Q479 WeakPolarHBondContact CD-O 3.33Å
480	T	91.1	Very high	93.6	Very high	65 Å²	65	56 Å²	56	40%	0.399	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-59.7	139	166.6	-46.3	0	0	0	0	110.1	C452 S478 P482	C452-T480 HydrophobicContact CB-CG2 4.27Å; S478-T480 PolarHBondContact O-N 3.48Å; T480-P482 WeakPolarHBondContact O-CD 3.41Å
481	L	93.3	Very high	93.8	Very high	10 Å²	10	56.3 Å²	56.3	5%	0.052	30%	0.297	C	S	.	.			trans	-90.5	94.8	172.7	-60.7	-167.5	0	0	0	109	L39 N451 D483 I484 W541	L39-L481 HydrophobicContact CD2-CD1 3.9Å; N451-L481 WeakPolarHBondContact O-CB 3.29Å; N451-L481 PolarHBondContact O-N 3.4Å; L481-D483 PolarHBondContact O-N 3.12Å; L481-D483 VanDerWaalsContact O-N 3.14Å; L481-I484 HydrophobicContact CB-CD1 4.15Å; L481-I484 HydrophobicContact CB-CG1 4.3Å; L481-I484 HydrophobicContact CD1-CD1 3.81Å; L481-I484 PolarHBondContact O-N 2.94Å; L481-W541 HydrophobicContact CD1-CH2 3.45Å; L481-W541 VanDerWaalsContact CD1-CH2 3.45Å; L481-W541 HydrophobicContact CD1-CZ3 3.56Å; L481-W541 HydrophobicContact CG-CH2 4.31Å; L481-W541 HydrophobicContact CG-CZ3 4.15Å
482	P	91.6	Very high	93.8	Very high	87 Å²	87	55.6 Å²	55.6	57%	0.565	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-10.9	-172.7	32.4	-38.9	0	0	0	113.2	T480 K515	T480-P482 WeakPolarHBondContact O-CD 3.41Å; P482-K515 WeakPolarHBondContact O-CD 3.33Å
483	D	92.8	Very high	93.7	Very high	63 Å²	63	54.4 Å²	54.4	34%	0.337	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-3.2	179.4	56.5	-20.9	0	0	0	113.6	L481 P514 K515 R550	L481-D483 PolarHBondContact O-N 3.12Å; L481-D483 VanDerWaalsContact O-N 3.14Å; D483-P514 CarbonylContact O-C 3.58Å; D483-P514 WeakPolarHBondContact O-CA 3.42Å; D483-K515 PolarHBondContact O-N 2.94Å; D483-R550 VanDerWaalsContact CG-CD 3.42Å; D483-R550 WeakPolarHBondContact OD2-CD 3.41Å; D483-R550 IonicContact OD2-CZ 2.76Å; D483-R550 IonicContact OD2-NE 3.84Å; D483-R550 PolarHBondContact OD2-NE 3.37Å; D483-R550 IonicContact OD2-NH1 2.72Å
484	I	95.2	Very high	93.4	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.021	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	122	171.9	-58.9	179.8	0	0	0	109	N451 L481 M512 C549 R550	N451-I484 HydrophobicContact CB-CB 3.76Å; N451-I484 HydrophobicContact CB-CG2 3.87Å; L481-I484 HydrophobicContact CB-CD1 4.15Å; L481-I484 HydrophobicContact CB-CG1 4.3Å; L481-I484 HydrophobicContact CD1-CD1 3.81Å; L481-I484 PolarHBondContact O-N 2.94Å; I484-M512 HydrophobicContact CD1-CE 4.5Å; I484-M512 HydrophobicContact CG2-CE 3.74Å; I484-C549 HydrophobicContact CD1-CB 4.4Å; I484-C549 HydrophobicContact CG1-CB 4.47Å; I484-R550 HydrophobicContact CD1-CG 4.06Å; I484-R550 HydrophobicContact CG1-CG 4.29Å
485	D	95.1	Very high	93	Very high	59 Å²	59	62.4 Å²	62.4	32%	0.316	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	146.1	167.1	-175	44.3	0	0	0	109.8	M512 K513 K515	D485-M512 WeakPolarHBondContact O-CA 3.35Å; D485-K513 HydrophobicContact CB-CG 4.14Å; D485-K513 PolarHBondContact N-O 3.28Å; D485-K513 PolarHBondContact O-N 2.84Å; D485-K513 WeakPolarHBondContact OD2-CE 3.08Å; D485-K513 IonicContact OD2-NZ 3.01Å; D485-K515 HydrophobicContact CB-CB 4.24Å; D485-K515 HydrophobicContact CB-CG 4.44Å
486	W	96.2	Very high	92.6	Very high	30 Å²	30	65.2 Å²	65.2	11%	0.114	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	151.7	177.1	71.6	-85.3	0	0	0	112.6	E429 P450 N451 I488 V510 L511 M512 A539	E429-W486 VanDerWaalsContact O-CZ2 3.31Å; E429-W486 WeakPolarHBondContact O-CZ2 3.32Å; P450-W486 HydrophobicContact CB-CB 4.07Å; P450-W486 HydrophobicContact CB-CD2 4.37Å; P450-W486 HydrophobicContact CB-CG 3.91Å; P450-W486 HydrophobicContact CG-CB 4.23Å; P450-W486 HydrophobicContact CG-CD2 3.73Å; P450-W486 HydrophobicContact CG-CE3 4.01Å; P450-W486 HydrophobicContact CG-CG 3.81Å; N451-W486 PolarHBondContact OD1-NE1 2.9Å; W486-I488 HydrophobicContact CZ3-CD1 4.24Å; W486-I488 HydrophobicContact CZ3-CG1 4.11Å; W486-V510 HydrophobicContact CE3-CG1 4.34Å; W486-L511 CarbonylContact C-O 3.3Å; W486-L511 WeakPolarHBondContact CA-O 3.11Å; W486-M512 HydrophobicContact CB-CG 4.17Å; W486-A539 HydrophobicContact CE3-CB 4.06Å; W486-A539 HydrophobicContact CH2-CB 3.85Å; W486-A539 HydrophobicContact CZ3-CB 3.47Å; W486-A539 VanDerWaalsContact CZ3-CB 3.47Å
487	Q	95.8	Very high	92.4	Very high	59 Å²	59	65.2 Å²	65.2	28%	0.276	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	153.8	177.1	61.6	-174.9	-46	0	0	111.2	K489 L511	Q487-K489 HydrophobicContact CG-CD 4.46Å; Q487-K489 VanDerWaalsContact OE1-CE 3.31Å; Q487-L511 HydrophobicContact CG-CB 4.15Å; Q487-L511 HydrophobicContact CG-CD2 4.49Å; Q487-L511 PolarHBondContact N-O 2.82Å; Q487-L511 PolarHBondContact O-N 2.84Å
488	I	97	Very high	92.5	Very high	43 Å²	43	59.9 Å²	59.9	22%	0.221	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	127.8	168.3	-65.1	162.9	0	0	0	107.9	R408 W486 E508 A509 V510 A539	R408-I488 HydrophobicContact CG-CD1 3.85Å; W486-I488 HydrophobicContact CZ3-CD1 4.24Å; W486-I488 HydrophobicContact CZ3-CG1 4.11Å; I488-E508 HydrophobicContact CG2-CB 4.2Å; I488-E508 HydrophobicContact CG2-CG 4.1Å; I488-A509 CarbonylContact C-O 3.52Å; I488-A509 WeakPolarHBondContact CA-O 3.23Å; I488-V510 HydrophobicContact CG1-CG2 4.29Å; I488-A539 HydrophobicContact CD1-CB 4.45Å
489	K	97.1	Very high	92.8	Very high	71 Å²	71	59.6 Å²	59.6	31%	0.309	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	133.8	171.5	-65.6	-63.6	-166.2	-170.4	0	108.6	Q487 F491 E508 A509	Q487-K489 HydrophobicContact CG-CD 4.46Å; Q487-K489 VanDerWaalsContact OE1-CE 3.31Å; K489-F491 HydrophobicContact CB-CE1 4.18Å; K489-F491 HydrophobicContact CB-CE2 3.9Å; K489-F491 HydrophobicContact CB-CZ 3.52Å; K489-F491 HydrophobicContact CG-CZ 4.41Å; K489-E508 CarbonylContact O-C 3.57Å; K489-E508 WeakPolarHBondContact O-CA 3.3Å; K489-E508 WeakPolarHBondContact O-CB 2.91Å; K489-A509 PolarHBondContact N-O 2.98Å; K489-A509 PolarHBondContact O-N 2.82Å
490	T	97.6	Very high	92.9	Very high	71 Å²	71	63 Å²	63	44%	0.436	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	138	173.8	-54.5	0	0	0	0	109.5	R406 D506 E508	R406-T490 PolarHBondContact NH2-OG1 2.77Å; T490-D506 HydrophobicContact CG2-CB 4.12Å; T490-E508 HydrophobicContact CG2-CG 4.43Å; T490-E508 PolarHBondContact OG1-OE1 3.34Å
491	F	96.8	Very high	93.1	Very high	24 Å²	24	66.8 Å²	66.8	11%	0.105	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	135.8	-179.1	-52.3	-74.5	0	0	0	109.5	K489 D506 Y507 A509 A589 S592	K489-F491 HydrophobicContact CB-CE1 4.18Å; K489-F491 HydrophobicContact CB-CE2 3.9Å; K489-F491 HydrophobicContact CB-CZ 3.52Å; K489-F491 HydrophobicContact CG-CZ 4.41Å; F491-D506 VanDerWaalsContact O-CA 3.28Å; F491-D506 WeakPolarHBondContact O-CA 3.43Å; F491-Y507 HydrophobicContact CB-CD1 4.07Å; F491-Y507 HydrophobicContact CB-CD2 4.01Å; F491-Y507 HydrophobicContact CB-CE1 3.64Å; F491-Y507 HydrophobicContact CB-CE2 3.57Å; F491-Y507 HydrophobicContact CB-CG 4.24Å; F491-Y507 AromaticContact CD2-CD2 3.76Å; F491-Y507 HydrophobicContact CD2-CD2 3.76Å; F491-Y507 AromaticContact CD2-CE2 3.53Å; F491-Y507 HydrophobicContact CD2-CE2 3.53Å; F491-Y507 HydrophobicContact CE2-CE2 4.46Å; F491-Y507 HydrophobicContact CG-CD2 4.28Å; F491-Y507 AromaticContact CG-CE2 3.76Å; F491-Y507 HydrophobicContact CG-CE2 3.76Å; F491-Y507 AromaticContact CG-CZ 3.97Å; F491-Y507 PolarHBondContact N-O 2.79Å; F491-Y507 PolarHBondContact O-N 2.59Å; F491-A509 HydrophobicContact CE2-CB 3.7Å; F491-A509 HydrophobicContact CZ-CB 4.28Å; F491-A589 HydrophobicContact CD2-CB 4.22Å; F491-A589 HydrophobicContact CE1-CB 4.33Å; F491-A589 HydrophobicContact CE2-CB 3.74Å; F491-A589 HydrophobicContact CZ-CB 3.79Å; F491-S592 WeakPolarHBondContact CE1-OG 3.31Å
492	T	95.1	Very high	93.2	Very high	98 Å²	98	68.2 Å²	68.2	60%	0.601	37%	0.371	S	S	*	.			trans	-108.7	128.3	169.9	-55.3	0	0	0	0	107.5	D506	T492-D506 WeakPolarHBondContact CA-OD1 3.15Å; T492-D506 VanDerWaalsContact CB-OD1 3.32Å; T492-D506 WeakPolarHBondContact CB-OD1 3.41Å; T492-D506 WeakPolarHBondContact CG2-OD1 3.48Å; T492-D506 PolarHBondContact OG1-OD1 2.77Å
493	P	91	Very high	93.3	Very high	13 Å²	13	67.4 Å²	67.4	8%	0.084	37%	0.366	C	S	.	.			trans	-61	140.7	177.8	25.7	-33.6	0	0	0	110.4	D498 I505	P493-D498 HydrophobicContact CB-CB 4.25Å; P493-D498 HydrophobicContact CG-CB 4.23Å; P493-D498 WeakPolarHBondContact CG-OD1 3.41Å; P493-I505 WeakPolarHBondContact CD-O 3.26Å
494	S	89.2	Confident	93.4	Very high	68 Å²	68	66.6 Å²	66.6	48%	0.476	37%	0.372	S	S	.	.			trans	-71.6	160.4	171.1	60.4	0	0	0	0	110.5	G496 L497 D498	S494-G496 PolarHBondContact O-N 2.89Å; S494-L497 CarbonylContact O-C 3.54Å; S494-L497 WeakPolarHBondContact O-CA 3.48Å; S494-L497 PolarHBondContact O-N 3.39Å; S494-L497 WeakPolarHBondContact OG-CG 3.43Å; S494-D498 PolarHBondContact O-N 3.05Å
495	E	85.1	Confident	93.4	Very high	191 Å²	191	66.7 Å²	66.7	89%	0.893	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-35.7	-175.7	-170.2	178.2	-177.6	0	0	113.5
496	G	85.9	Confident	93.4	Very high	77 Å²	77	66.4 Å²	66.4	79%	0.794	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-9	177.7	0	0	0	0	0	115.7	S494	S494-G496 PolarHBondContact O-N 2.89Å
497	L	87.6	Confident	93.5	Very high	53 Å²	53	65.3 Å²	65.3	28%	0.277	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-5.5	178.9	-62.3	179.3	0	0	0	112.3	S494 R561 M584	S494-L497 CarbonylContact O-C 3.54Å; S494-L497 WeakPolarHBondContact O-CA 3.48Å; S494-L497 PolarHBondContact O-N 3.39Å; S494-L497 WeakPolarHBondContact OG-CG 3.43Å; L497-R561 PolarHBondContact O-NH1 3.46Å; L497-R561 PolarHBondContact O-NH2 2.76Å; L497-M584 HydrophobicContact CD2-CB 4.19Å; L497-M584 HydrophobicContact CD2-CE 4.25Å; L497-M584 HydrophobicContact CD2-CG 4.21Å; L497-M584 HydrophobicContact CD2-SD 3.43Å; L497-M584 WeakPolarHBondContact CD2-SD 3.36Å
498	D	91.8	Very high	93.7	Very high	40 Å²	40	63 Å²	63	21%	0.214	36%	0.357	C	S	.	.	S	Bend	trans	-72.3	154.1	-178.2	-158.8	11	0	0	0	112	P493 S494 P503 G504 R561	P493-D498 HydrophobicContact CB-CB 4.25Å; P493-D498 HydrophobicContact CG-CB 4.23Å; P493-D498 WeakPolarHBondContact CG-OD1 3.41Å; S494-D498 PolarHBondContact O-N 3.05Å; D498-P503 VanDerWaalsContact OD2-CA 3.31Å; D498-P503 WeakPolarHBondContact OD2-CA 3.48Å; D498-P503 WeakPolarHBondContact OD2-CB 3.3Å; D498-G504 PolarHBondContact OD1-N 2.79Å; D498-G504 PolarHBondContact OD2-N 2.83Å; D498-R561 IonicContact OD1-NH1 3.54Å
499	N	94.4	Very high	93.7	Very high	13 Å²	13	61 Å²	61	7%	0.07	35%	0.346	C	S	.	.			trans	-82.9	125.4	179.3	-173.8	-65	0	0	0	109.5	Q501 Y502 P503 R561 S573 Q581	N499-Q501 VanDerWaalsContact C-N 3.34Å; N499-Q501 PolarHBondContact O-N 2.81Å; N499-Q501 WeakPolarHBondContact OD1-CA 3.39Å; N499-Q501 PolarHBondContact OD1-N 2.79Å; N499-Y502 CarbonylContact O-C 3.55Å; N499-Y502 VanDerWaalsContact O-C 3.3Å; N499-Y502 PolarHBondContact O-N 2.88Å; N499-Y502 PolarHBondContact OD1-N 3.4Å; N499-P503 WeakPolarHBondContact O-CA 3.4Å; N499-R561 VanDerWaalsContact N-NH1 3.2Å; N499-S573 PolarHBondContact ND2-O 2.82Å; N499-S573 VanDerWaalsContact ND2-O 3.11Å; N499-Q581 PolarHBondContact ND2-OE1 2.83Å
500	H	91.2	Very high	93.8	Very high	185 Å²	185	57.6 Å²	57.6	86%	0.856	33%	0.331	S	S	*	.	S	Bend	trans	-66.5	-33.7	-177	-64.3	177.5	0	0	0	113.6
501	Q	94.9	Very high	93.8	Very high	143 Å²	143	54.4 Å²	54.4	67%	0.668	31%	0.311	S	S	*	.	S	Bend	trans	-83.8	-33.5	-179.4	-172.5	175.7	9.7	0	0	111.6	N499	N499-Q501 VanDerWaalsContact C-N 3.34Å; N499-Q501 PolarHBondContact O-N 2.81Å; N499-Q501 WeakPolarHBondContact OD1-CA 3.39Å; N499-Q501 PolarHBondContact OD1-N 2.79Å
502	Y	95.9	Very high	93.8	Very high	40 Å²	40	53.3 Å²	53.3	16%	0.157	31%	0.307	C	S	.	.	S	Bend	trans	-129.9	70.3	-179.2	-54.3	-86.5	0	0	0	111.4	N499 I505 D569 L572	N499-Y502 CarbonylContact O-C 3.55Å; N499-Y502 VanDerWaalsContact O-C 3.3Å; N499-Y502 PolarHBondContact O-N 2.88Å; N499-Y502 PolarHBondContact OD1-N 3.4Å; Y502-I505 WeakPolarHBondContact O-CD1 3.29Å; Y502-I505 WeakPolarHBondContact O-CG1 3.49Å; Y502-D569 HydrophobicContact CD1-CB 3.7Å; Y502-D569 HydrophobicContact CE1-CB 4.23Å; Y502-D569 HydrophobicContact CG-CB 4.48Å; Y502-L572 HydrophobicContact CE1-CB 4.31Å; Y502-L572 HydrophobicContact CE2-CB 4.1Å
503	P	94.6	Very high	93.8	Very high	71 Å²	71	49.9 Å²	49.9	46%	0.461	28%	0.283	S	S	.	.			trans	-68.8	162.9	-175.8	28.4	-36.1	0	0	0	112.7	R373 D498 N499 I505	R373-P503 PolarHBondContact NH1-O 2.87Å; R373-P503 PolarHBondContact NH2-O 2.66Å; D498-P503 VanDerWaalsContact OD2-CA 3.31Å; D498-P503 WeakPolarHBondContact OD2-CA 3.48Å; D498-P503 WeakPolarHBondContact OD2-CB 3.3Å; N499-P503 WeakPolarHBondContact O-CA 3.4Å; P503-I505 VanDerWaalsContact C-N 3.32Å; P503-I505 PolarHBondContact O-N 3.12Å
504	G	93.3	Very high	94	Very high	46 Å²	46	50.3 Å²	50.3	47%	0.474	29%	0.286	S	S	.	.	S	Bend	trans	63.3	32.6	171.6	0	0	0	0	0	114.3	R373 D498	R373-G504 PolarHBondContact NH1-O 2.96Å; D498-G504 PolarHBondContact OD1-N 2.79Å; D498-G504 PolarHBondContact OD2-N 2.83Å
505	I	95.3	Very high	94	Very high	5 Å²	5	53.5 Å²	53.5	3%	0.026	29%	0.292	C	S	.	.			trans	-87.4	111	173	-63.6	178.7	0	0	0	109.1	P493 Y502 P503 R561 D569	P493-I505 WeakPolarHBondContact CD-O 3.26Å; Y502-I505 WeakPolarHBondContact O-CD1 3.29Å; Y502-I505 WeakPolarHBondContact O-CG1 3.49Å; P503-I505 VanDerWaalsContact C-N 3.32Å; P503-I505 PolarHBondContact O-N 3.12Å; I505-R561 HydrophobicContact CB-CG 4.22Å; I505-R561 HydrophobicContact CG2-CG 3.79Å; I505-R561 WeakPolarHBondContact O-CD 3.42Å; I505-D569 HydrophobicContact CD1-CB 4.27Å
506	D	96.6	Very high	94	Very high	54 Å²	54	52.8 Å²	52.8	29%	0.289	29%	0.288	S	S	.	.			trans	-71.5	152.2	168.3	-68	-25.2	0	0	0	111.3	T490 F491 T492 F566	T490-D506 HydrophobicContact CG2-CB 4.12Å; F491-D506 VanDerWaalsContact O-CA 3.28Å; F491-D506 WeakPolarHBondContact O-CA 3.43Å; T492-D506 WeakPolarHBondContact CA-OD1 3.15Å; T492-D506 VanDerWaalsContact CB-OD1 3.32Å; T492-D506 WeakPolarHBondContact CB-OD1 3.41Å; T492-D506 WeakPolarHBondContact CG2-OD1 3.48Å; T492-D506 PolarHBondContact OG1-OD1 2.77Å; D506-F566 WeakPolarHBondContact O-CD1 3.41Å
507	Y	98	Very high	93.8	Very high	7 Å²	7	51.4 Å²	51.4	3%	0.027	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	173	173.5	67	-85.5	0	0	0	110	F491 N559 R561 D585 A589	F491-Y507 HydrophobicContact CB-CD1 4.07Å; F491-Y507 HydrophobicContact CB-CD2 4.01Å; F491-Y507 HydrophobicContact CB-CE1 3.64Å; F491-Y507 HydrophobicContact CB-CE2 3.57Å; F491-Y507 HydrophobicContact CB-CG 4.24Å; F491-Y507 AromaticContact CD2-CD2 3.76Å; F491-Y507 HydrophobicContact CD2-CD2 3.76Å; F491-Y507 AromaticContact CD2-CE2 3.53Å; F491-Y507 HydrophobicContact CD2-CE2 3.53Å; F491-Y507 HydrophobicContact CE2-CE2 4.46Å; F491-Y507 HydrophobicContact CG-CD2 4.28Å; F491-Y507 AromaticContact CG-CE2 3.76Å; F491-Y507 HydrophobicContact CG-CE2 3.76Å; F491-Y507 AromaticContact CG-CZ 3.97Å; F491-Y507 PolarHBondContact N-O 2.79Å; F491-Y507 PolarHBondContact O-N 2.59Å; Y507-N559 WeakPolarHBondContact CB-O 3.32Å; Y507-N559 WeakPolarHBondContact CD2-O 3.31Å; Y507-R561 HydrophobicContact CD1-CG 4Å; Y507-R561 HydrophobicContact CG-CG 4.37Å; Y507-D585 HydrophobicContact CD2-CB 4.25Å; Y507-D585 HydrophobicContact CE1-CB 4.27Å; Y507-D585 HydrophobicContact CE2-CB 3.85Å; Y507-D585 PolarHBondContact OH-O 2.84Å; Y507-A589 HydrophobicContact CE2-CB 4.33Å
508	E	98.4	Very high	93.4	Very high	11 Å²	11	53.4 Å²	53.4	5%	0.051	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	164.3	-169.4	-70.2	-176	159.3	0	0	114.3	R406 S407 I488 K489 T490 N559 F566	R406-E508 WeakPolarHBondContact CB-OE2 3.24Å; R406-E508 IonicContact CZ-OE1 2.76Å; R406-E508 IonicContact NE-OE1 3.67Å; R406-E508 PolarHBondContact NE-OE1 3.44Å; R406-E508 IonicContact NE-OE2 3.9Å; R406-E508 IonicContact NH2-OE1 3.68Å; R406-E508 PolarHBondContact NH2-OE1 3.2Å; S407-E508 WeakPolarHBondContact CB-OE2 3.43Å; S407-E508 PolarHBondContact N-OE2 2.79Å; S407-E508 WeakPolarHBondContact OG-CB 3.25Å; S407-E508 PolarHBondContact OG-OE2 3.36Å; I488-E508 HydrophobicContact CG2-CB 4.2Å; I488-E508 HydrophobicContact CG2-CG 4.1Å; K489-E508 CarbonylContact O-C 3.57Å; K489-E508 WeakPolarHBondContact O-CA 3.3Å; K489-E508 WeakPolarHBondContact O-CB 2.91Å; T490-E508 HydrophobicContact CG2-CG 4.43Å; T490-E508 PolarHBondContact OG1-OE1 3.34Å; E508-N559 PolarHBondContact N-O 2.74Å; E508-N559 CarbonylContact O-C 3.59Å; E508-N559 WeakPolarHBondContact O-CA 3.41Å; E508-N559 WeakPolarHBondContact O-CB 3.29Å; E508-N559 PolarHBondContact O-N 2.81Å; E508-F566 HydrophobicContact CB-CE1 4.32Å; E508-F566 HydrophobicContact CB-CZ 3.93Å; E508-F566 HydrophobicContact CG-CE1 3.82Å; E508-F566 HydrophobicContact CG-CZ 3.91Å
509	A	98.4	Very high	92.8	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146.3	164.8	0	0	0	0	0	111.4	I488 K489 F491 L556 L557 V558	I488-A509 CarbonylContact C-O 3.52Å; I488-A509 WeakPolarHBondContact CA-O 3.23Å; K489-A509 PolarHBondContact N-O 2.98Å; K489-A509 PolarHBondContact O-N 2.82Å; F491-A509 HydrophobicContact CE2-CB 3.7Å; F491-A509 HydrophobicContact CZ-CB 4.28Å; A509-L556 HydrophobicContact CB-CD1 3.57Å; A509-L556 HydrophobicContact CB-CG 4.19Å; A509-L557 CarbonylContact C-O 3.47Å; A509-L557 WeakPolarHBondContact CA-O 3.4Å; A509-L557 VanDerWaalsContact CB-O 3.24Å; A509-L557 WeakPolarHBondContact CB-O 3.33Å; A509-V558 HydrophobicContact CB-CG2 4.24Å
510	V	98.4	Very high	92.2	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	114.6	166.2	-177.4	0	0	0	0	107.7	P450 W486 I488 A539 L557	P450-V510 HydrophobicContact CG-CG1 4.07Å; W486-V510 HydrophobicContact CE3-CG1 4.34Å; I488-V510 HydrophobicContact CG1-CG2 4.29Å; V510-A539 HydrophobicContact CG1-CB 4.46Å; V510-A539 HydrophobicContact CG2-CB 4.25Å; V510-L557 HydrophobicContact CB-CB 4.11Å; V510-L557 HydrophobicContact CB-CD1 4.11Å; V510-L557 HydrophobicContact CG1-CD1 4.25Å; V510-L557 PolarHBondContact N-O 3.43Å; V510-L557 WeakPolarHBondContact O-CB 3.36Å; V510-L557 PolarHBondContact O-N 2.97Å
511	L	97.8	Very high	92	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.016	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.1	176.2	177	60.8	0	0	0	109.4	W486 Q487 L556 V593 F598	W486-L511 CarbonylContact C-O 3.3Å; W486-L511 WeakPolarHBondContact CA-O 3.11Å; Q487-L511 HydrophobicContact CG-CB 4.15Å; Q487-L511 HydrophobicContact CG-CD2 4.49Å; Q487-L511 PolarHBondContact N-O 2.82Å; Q487-L511 PolarHBondContact O-N 2.84Å; L511-L556 HydrophobicContact CB-CD1 4.11Å; L511-L556 HydrophobicContact CD1-CB 4.31Å; L511-L556 HydrophobicContact CD1-CD1 4.07Å; L511-V593 HydrophobicContact CD2-CG1 4.35Å; L511-F598 HydrophobicContact CD1-CE2 3.95Å; L511-F598 HydrophobicContact CD1-CZ 3.77Å; L511-F598 HydrophobicContact CD2-CE2 4.03Å; L511-F598 HydrophobicContact CD2-CZ 4.28Å; L511-F598 HydrophobicContact CG-CZ 4.46Å
512	M	97	Very high	91.8	Very high	1 Å²	1	56 Å²	56	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	142.2	171.5	-56.7	174.8	68	0	0	110.3	P450 I484 D485 W486 T545 C549 V555 L557	P450-M512 HydrophobicContact CB-CE 3.6Å; P450-M512 HydrophobicContact CB-CG 3.95Å; P450-M512 HydrophobicContact CB-SD 3.74Å; P450-M512 VanDerWaalsContact O-CE 3.25Å; P450-M512 WeakPolarHBondContact O-CE 3.26Å; I484-M512 HydrophobicContact CD1-CE 4.5Å; I484-M512 HydrophobicContact CG2-CE 3.74Å; D485-M512 WeakPolarHBondContact O-CA 3.35Å; W486-M512 HydrophobicContact CB-CG 4.17Å; M512-T545 PolarHBondContact SD-OG1 3.22Å; M512-C549 HydrophobicContact CE-CB 4.47Å; M512-V555 HydrophobicContact CB-CB 4.33Å; M512-V555 PolarHBondContact N-O 3.45Å; M512-V555 PolarHBondContact O-N 3.14Å; M512-L557 HydrophobicContact SD-CD1 4.14Å
513	K	95.4	Very high	91.8	Very high	26 Å²	26	54.5 Å²	54.5	11%	0.113	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	157.7	174.3	64	-179.7	-178.9	-178.2	0	112	D485 K515 L523 E597	D485-K513 HydrophobicContact CB-CG 4.14Å; D485-K513 PolarHBondContact N-O 3.28Å; D485-K513 PolarHBondContact O-N 2.84Å; D485-K513 WeakPolarHBondContact OD2-CE 3.08Å; D485-K513 IonicContact OD2-NZ 3.01Å; K513-K515 PolarHBondContact O-N 3.43Å; K513-L523 HydrophobicContact CB-CD1 4.19Å; K513-E597 IonicContact NZ-OE1 3.61Å; K513-E597 PolarHBondContact NZ-OE1 3.3Å; K513-E597 IonicContact NZ-OE2 3.46Å; K513-E597 PolarHBondContact NZ-OE2 2.87Å
514	P	94.8	Very high	91.9	Very high	22 Å²	22	51.5 Å²	51.5	14%	0.143	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	132.8	164.8	-22.7	31.9	0	0	0	110.7	D483 V517 L523 C549	D483-P514 CarbonylContact O-C 3.58Å; D483-P514 WeakPolarHBondContact O-CA 3.42Å; P514-V517 WeakPolarHBondContact O-CG2 3.44Å; P514-L523 HydrophobicContact CG-CD1 4.42Å; P514-C549 WeakPolarHBondContact CG-O 3.46Å
515	K	89.8	Confident	92.2	Very high	136 Å²	136	49.3 Å²	49.3	59%	0.591	26%	0.259	S	S	*	.	S	Bend	trans	-67.9	-39.1	-178.3	-173.3	173.3	-174.2	168	0	112.9	P482 D483 D485 K513	P482-K515 WeakPolarHBondContact O-CD 3.33Å; D483-K515 PolarHBondContact O-N 2.94Å; D485-K515 HydrophobicContact CB-CB 4.24Å; D485-K515 HydrophobicContact CB-CG 4.44Å; K513-K515 PolarHBondContact O-N 3.43Å
516	E	84.2	Confident	92.3	Very high	176 Å²	176	49.1 Å²	49.1	82%	0.822	26%	0.258	S	S	*	.			trans	-97.7	99.3	178.5	-66.9	-175.8	-175.9	0	0	110
517	V	82.7	Confident	92.4	Very high	48 Å²	48	46.5 Å²	46.5	29%	0.291	24%	0.244	S	C	.	.			trans	-109.1	129.9	171.6	-172.5	0	0	0	0	108.2	P514 V521 L523	P514-V517 WeakPolarHBondContact O-CG2 3.44Å; V517-V521 HydrophobicContact CG1-CB 4.4Å; V517-V521 WeakPolarHBondContact CG1-O 3.39Å; V517-L523 HydrophobicContact CG1-CD2 4.19Å; V517-L523 HydrophobicContact CG1-CG 4.24Å; V517-L523 HydrophobicContact CG2-CD1 3.82Å; V517-L523 HydrophobicContact CG2-CD2 4.35Å; V517-L523 HydrophobicContact CG2-CG 4.29Å
518	K	79.7	Confident	92.5	Very high	95 Å²	95	47.3 Å²	47.3	41%	0.413	25%	0.249	S	C	.	.			trans	-63.8	139.4	174.7	-69.7	177	-176.7	173.2	0	109.6	C23 G520 V521	C23-K518 HydrophobicContact CB-CB 4.28Å; C23-K518 HydrophobicContact CB-CD 3.47Å; C23-K518 VanDerWaalsContact CB-CD 3.47Å; C23-K518 HydrophobicContact CB-CG 3.69Å; C23-K518 VanDerWaalsContact SG-CB 3.51Å; C23-K518 VanDerWaalsContact SG-CG 3.55Å; C23-K518 PolarHBondContact SG-N 2.87Å; K518-G520 PolarHBondContact O-N 3.38Å; K518-V521 HydrophobicContact CB-CB 4.43Å; K518-V521 HydrophobicContact CB-CG2 3.84Å; K518-V521 WeakPolarHBondContact O-CB 3.33Å; K518-V521 PolarHBondContact O-N 2.94Å
519	E	78.9	Confident	92.5	Very high	201 Å²	201	47 Å²	47	94%	0.939	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	133.1	174.3	-168.8	172.3	-169.2	0	0	111	V521	E519-V521 VanDerWaalsContact C-N 3.3Å; E519-V521 PolarHBondContact O-N 3.23Å
520	G	81.2	Confident	92.5	Very high	83 Å²	83	47.9 Å²	47.9	86%	0.856	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	-3.8	-177.9	0	0	0	0	0	116	K518	K518-G520 PolarHBondContact O-N 3.38Å
521	V	87	Confident	92.4	Very high	56 Å²	56	48.9 Å²	48.9	34%	0.339	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-91.3	124.5	174.5	179.7	0	0	0	0	110.5	V517 K518 E519	V517-V521 HydrophobicContact CG1-CB 4.4Å; V517-V521 WeakPolarHBondContact CG1-O 3.39Å; K518-V521 HydrophobicContact CB-CB 4.43Å; K518-V521 HydrophobicContact CB-CG2 3.84Å; K518-V521 WeakPolarHBondContact O-CB 3.33Å; K518-V521 PolarHBondContact O-N 2.94Å; E519-V521 VanDerWaalsContact C-N 3.3Å; E519-V521 PolarHBondContact O-N 3.23Å
522	K	91.6	Very high	92.3	Very high	94 Å²	94	50.2 Å²	50.2	41%	0.409	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-93.9	132.3	171	-74.3	-177.2	162.4	-137.5	0	110.4	L594 D595 E597 F598 D599	K522-L594 PolarHBondContact NZ-O 3.15Å; K522-D595 PolarHBondContact NZ-O 2.74Å; K522-D595 VanDerWaalsContact NZ-O 3.14Å; K522-E597 WeakPolarHBondContact CA-O 3.42Å; K522-F598 WeakPolarHBondContact CD-O 3.09Å; K522-D599 HydrophobicContact CB-CB 3.98Å
523	L	94.9	Very high	92.3	Very high	9 Å²	9	50.1 Å²	50.1	5%	0.047	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	144.4	-176.8	-63.3	174.4	0	0	0	111.6	K513 P514 V517 E597 F598 D599	K513-L523 HydrophobicContact CB-CD1 4.19Å; P514-L523 HydrophobicContact CG-CD1 4.42Å; V517-L523 HydrophobicContact CG1-CD2 4.19Å; V517-L523 HydrophobicContact CG1-CG 4.24Å; V517-L523 HydrophobicContact CG2-CD1 3.82Å; V517-L523 HydrophobicContact CG2-CD2 4.35Å; V517-L523 HydrophobicContact CG2-CG 4.29Å; L523-E597 PolarHBondContact N-O 2.87Å; L523-F598 HydrophobicContact CB-CD1 3.74Å; L523-F598 HydrophobicContact CB-CE1 3.94Å; L523-F598 HydrophobicContact CD1-CE1 4.01Å; L523-F598 CarbonylContact O-C 3.59Å; L523-F598 WeakPolarHBondContact O-CA 3.47Å; L523-D599 PolarHBondContact O-N 2.86Å
524	P	97.2	Very high	92.4	Very high	9 Å²	9	49.2 Å²	49.2	6%	0.058	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	143.5	164.4	26.7	-29	0	0	0	110.2	V25 F553 G554 K602 L752 L754	V25-P524 HydrophobicContact CG2-CG 3.42Å; V25-P524 VanDerWaalsContact CG2-CG 3.42Å; P524-F553 HydrophobicContact CB-CD1 3.83Å; P524-F553 HydrophobicContact CB-CE1 3.96Å; P524-F553 HydrophobicContact CG-CD1 3.6Å; P524-F553 HydrophobicContact CG-CE1 3.8Å; P524-G554 PolarHBondContact O-N 2.84Å; P524-K602 WeakPolarHBondContact CA-O 3.49Å; P524-K602 HydrophobicContact CB-CB 3.83Å; P524-K602 HydrophobicContact CB-CD 4.41Å; P524-L752 HydrophobicContact CB-CD1 3.94Å; P524-L754 HydrophobicContact CB-CD1 4.19Å; P524-L754 HydrophobicContact CG-CD1 4.01Å
525	L	98.4	Very high	92.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132.3	-174.1	-177.3	65.9	0	0	0	111	V527 L556 V590 V593 L594 F598 K602 V603 A604	L525-V527 HydrophobicContact CD2-CG2 3.99Å; L525-V527 HydrophobicContact CG-CG2 4.08Å; L525-L556 HydrophobicContact CD1-CB 4.04Å; L525-V590 HydrophobicContact CD2-CG1 4.21Å; L525-V593 HydrophobicContact CD2-CG2 3.77Å; L525-L594 HydrophobicContact CD2-CD2 3.78Å; L525-F598 HydrophobicContact CB-CB 4.2Å; L525-F598 HydrophobicContact CB-CD1 4.16Å; L525-F598 HydrophobicContact CB-CG 4.23Å; L525-F598 HydrophobicContact CD1-CD1 3.95Å; L525-F598 HydrophobicContact CD1-CD2 4.35Å; L525-F598 HydrophobicContact CD1-CE1 4.13Å; L525-F598 HydrophobicContact CD1-CE2 4.48Å; L525-F598 HydrophobicContact CD1-CG 4.12Å; L525-F598 HydrophobicContact CD1-CZ 4.39Å; L525-F598 HydrophobicContact CD2-CG 4.48Å; L525-K602 PolarHBondContact N-O 3.41Å; L525-V603 HydrophobicContact CD2-CG1 4.45Å; L525-V603 WeakPolarHBondContact O-CA 3.47Å; L525-A604 PolarHBondContact O-N 2.88Å
526	I	98.8	Very high	92.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	121.4	167.7	-56.8	174.8	0	0	0	108.2	L528 L548 F553 G554 V555 L556 A604 I748	I526-L528 HydrophobicContact CG2-CD2 3.99Å; I526-L528 HydrophobicContact CG2-CG 4.14Å; I526-L548 HydrophobicContact CD1-CB 4.34Å; I526-L548 HydrophobicContact CD1-CD1 3.93Å; I526-L548 HydrophobicContact CD1-CD2 3.72Å; I526-L548 HydrophobicContact CD1-CG 4.2Å; I526-F553 HydrophobicContact CD1-CB 3.92Å; I526-F553 HydrophobicContact CD1-CD1 3.73Å; I526-F553 HydrophobicContact CD1-CD2 3.9Å; I526-F553 HydrophobicContact CD1-CE1 4.19Å; I526-F553 HydrophobicContact CD1-CE2 4.33Å; I526-F553 HydrophobicContact CD1-CG 3.57Å; I526-F553 HydrophobicContact CD1-CZ 4.46Å; I526-F553 HydrophobicContact CG1-CB 4.21Å; I526-F553 HydrophobicContact CG1-CD1 3.84Å; I526-F553 HydrophobicContact CG1-CE1 4.42Å; I526-F553 HydrophobicContact CG1-CG 4.07Å; I526-G554 PolarHBondContact N-O 3.14Å; I526-V555 CarbonylContact O-C 3.57Å; I526-V555 WeakPolarHBondContact O-CA 3.5Å; I526-L556 PolarHBondContact O-N 3.12Å; I526-A604 WeakPolarHBondContact CA-O 3.05Å; I526-A604 HydrophobicContact CG1-CB 4.44Å; I526-I748 HydrophobicContact CD1-CD1 3.89Å; I526-I748 HydrophobicContact CD1-CG2 4.26Å; I526-I748 HydrophobicContact CG1-CD1 4.26Å; I526-I748 HydrophobicContact CG1-CG2 4.35Å; I526-I748 HydrophobicContact CG2-CD1 4.31Å
527	V	98.9	Very high	93.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.4	179.3	-174.1	0	0	0	0	108.6	L525 V558 V586 V590 V603 A604 I605 S606 Y626	L525-V527 HydrophobicContact CD2-CG2 3.99Å; L525-V527 HydrophobicContact CG-CG2 4.08Å; V527-V558 HydrophobicContact CG1-CG2 4.22Å; V527-V586 HydrophobicContact CG1-CG1 3.97Å; V527-V590 HydrophobicContact CB-CG2 4.07Å; V527-V590 HydrophobicContact CG1-CG2 3.45Å; V527-V590 VanDerWaalsContact CG1-CG2 3.45Å; V527-V590 HydrophobicContact CG2-CB 4.46Å; V527-V590 HydrophobicContact CG2-CG1 4.13Å; V527-V590 HydrophobicContact CG2-CG2 3.44Å; V527-V590 VanDerWaalsContact CG2-CG2 3.44Å; V527-V603 HydrophobicContact CG2-CG1 3.89Å; V527-A604 PolarHBondContact N-O 2.83Å; V527-I605 HydrophobicContact CB-CD1 3.62Å; V527-I605 HydrophobicContact CG1-CD1 3.6Å; V527-S606 PolarHBondContact O-N 2.76Å; V527-Y626 HydrophobicContact CG2-CE1 4.31Å
528	L	98.7	Very high	94.1	Very high	24 Å²	24	35.8 Å²	35.8	13%	0.126	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	84.5	-173.7	-65.4	-178.7	0	0	0	111	I526 T545 V555 L556 L557 V558 S606	I526-L528 HydrophobicContact CG2-CD2 3.99Å; I526-L528 HydrophobicContact CG2-CG 4.14Å; L528-T545 HydrophobicContact CD1-CG2 3.83Å; L528-V555 HydrophobicContact CD1-CG1 3.48Å; L528-V555 VanDerWaalsContact CD1-CG1 3.48Å; L528-V555 HydrophobicContact CG-CG1 4.15Å; L528-L556 PolarHBondContact N-O 3.15Å; L528-L557 HydrophobicContact CB-CD2 3.72Å; L528-L557 HydrophobicContact CD1-CD2 3.73Å; L528-L557 HydrophobicContact CG-CD2 4.35Å; L528-L557 WeakPolarHBondContact O-CA 3.31Å; L528-V558 PolarHBondContact O-N 3.12Å; L528-V558 VanDerWaalsContact O-N 3.09Å; L528-S606 WeakPolarHBondContact CA-O 2.77Å; L528-S606 VanDerWaalsContact CD2-CB 3.44Å; L528-S606 WeakPolarHBondContact CD2-O 3.47Å
529	P	98.6	Very high	94.9	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.032	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	141.4	166	30.9	-34.2	0	0	0	110.6	Y560 V586 I605 L614	P529-Y560 HydrophobicContact CB-CE1 4.37Å; P529-V586 HydrophobicContact CB-CG2 3.98Å; P529-I605 HydrophobicContact CG-CD1 4.05Å; P529-L614 HydrophobicContact CB-CB 4.34Å; P529-L614 HydrophobicContact CB-CD1 3.71Å; P529-L614 HydrophobicContact CG-CB 4.01Å; P529-L614 HydrophobicContact CG-CD1 4.3Å
530	H	98.3	Very high	95.7	Very high	17 Å²	17	24.8 Å²	24.8	8%	0.079	16%	0.164	C	C	.	.			trans	-75.5	164	177.7	62	81.9	0	0	0	113.6	P533 S535 I537 V558 N559 Y560 S563 G611	H530-P533 PolarHBondContact CE1-O 2.91Å; H530-P533 VanDerWaalsContact CE1-O 3.24Å; H530-S535 PolarHBondContact CE1-O 3.16Å; H530-S535 PolarHBondContact NE2-O 3.41Å; H530-I537 HydrophobicContact CB-CD1 3.85Å; H530-I537 HydrophobicContact CB-CG1 3.7Å; H530-V558 PolarHBondContact CD2-O 2.72Å; H530-N559 PolarHBondContact CD2-OD1 2.87Å; H530-N559 PolarHBondContact NE2-OD1 3.5Å; H530-Y560 AromaticContact CE1-CE1 3.88Å; H530-Y560 AromaticContact CE1-CZ 3.6Å; H530-Y560 PolarHBondContact CE1-OH 3.06Å; H530-Y560 PolarHBondContact ND1-OH 3.39Å; H530-Y560 AromaticContact NE2-CE1 3.94Å; H530-Y560 PolarHBondContact O-OH 3.05Å; H530-S563 PolarHBondContact CE1-OG 3.22Å; H530-S563 PolarHBondContact NE2-OG 3.08Å; H530-G611 VanDerWaalsContact O-CA 3.24Å; H530-G611 WeakPolarHBondContact O-CA 3.31Å; H530-G611 PolarHBondContact O-N 3.33Å
531	G	97.4	Very high	96.4	Very high	22 Å²	22	22 Å²	22	23%	0.227	13%	0.128	C	C	.	.	S	Bend	trans	-80.2	176.9	166.8	0	0	0	0	0	113.1	S535 G608	G531-S535 VanDerWaalsContact O-CB 3.24Å; G531-S535 WeakPolarHBondContact O-CB 3.29Å; G531-G608 WeakPolarHBondContact CA-O 3.36Å
532	G	94.9	Very high	96.8	Very high	30 Å²	30	22.1 Å²	22.1	31%	0.309	13%	0.126	S	C	.	.	S	Bend	trans	142.2	-100.9	-178.8	0	0	0	0	0	112.1	W650	G532-W650 PolarHBondContact O-NE1 2.84Å
533	P	96.8	Very high	97	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.111	C	C	.	.	S	Bend	cis	-81.5	-15.8	17.5	30.3	-32.6	0	0	0	113.6	H530 S535 Y560 L574 H610 E654	H530-P533 PolarHBondContact CE1-O 2.91Å; H530-P533 VanDerWaalsContact CE1-O 3.24Å; P533-S535 VanDerWaalsContact C-N 3.35Å; P533-S535 PolarHBondContact O-N 2.96Å; P533-Y560 VanDerWaalsContact CA-OH 3.29Å; P533-Y560 WeakPolarHBondContact CA-OH 3.02Å; P533-Y560 HydrophobicContact CB-CE2 4.01Å; P533-Y560 PolarHBondContact O-OH 3.05Å; P533-Y560 VanDerWaalsContact O-OH 3.06Å; P533-L574 HydrophobicContact CB-CD2 3.51Å; P533-L574 HydrophobicContact CG-CD2 3.82Å; P533-H610 HydrophobicContact CB-CB 4.4Å; P533-E654 VanDerWaalsContact CG-CD 3.42Å; P533-E654 HydrophobicContact CG-CG 4.27Å; P533-E654 VanDerWaalsContact CG-OE2 3.28Å; P533-E654 WeakPolarHBondContact CG-OE2 3.33Å
534	H	97.9	Very high	97.1	Very high	7 Å²	7	20.8 Å²	20.8	3%	0.032	13%	0.128	C	C	.	.	S	Bend	trans	-85.1	78.3	-179.8	-51.5	-54.5	0	0	0	110.7	P347 M349 G562 L564 V571 E654	P347-H534 VanDerWaalsContact CB-CD2 3.47Å; P347-H534 WeakPolarHBondContact CB-CD2 3.26Å; M349-H534 HydrophobicContact CB-CB 4Å; M349-H534 WeakPolarHBondContact CB-O 3.14Å; H534-G562 PolarHBondContact ND1-O 2.8Å; H534-L564 HydrophobicContact CB-CD2 4.04Å; H534-V571 PolarHBondContact CE1-O 2.85Å; H534-E654 IonicContact CD2-OE1 3.91Å; H534-E654 PolarHBondContact CD2-OE1 2.79Å; H534-E654 IonicContact NE2-OE1 3.79Å; H534-E654 PolarHBondContact NE2-OE1 3.01Å; H534-E654 IonicContact NE2-OE2 3.71Å
535	S	97	Very high	97.1	Very high	49 Å²	49	20.4 Å²	20.4	34%	0.343	13%	0.126	S	C	.	.			trans	-140.3	-171.9	170.1	-167	0	0	0	0	108.6	H530 G531 P533 S563 L564	H530-S535 PolarHBondContact CE1-O 3.16Å; H530-S535 PolarHBondContact NE2-O 3.41Å; G531-S535 VanDerWaalsContact O-CB 3.24Å; G531-S535 WeakPolarHBondContact O-CB 3.29Å; P533-S535 VanDerWaalsContact C-N 3.35Å; P533-S535 PolarHBondContact O-N 2.96Å; S535-S563 CarbonylContact O-C 3.48Å; S535-S563 WeakPolarHBondContact O-CA 3.31Å; S535-S563 WeakPolarHBondContact O-CB 3.42Å; S535-L564 PolarHBondContact O-N 2.84Å
536	V	97.1	Very high	97	Very high	22 Å²	22	20.4 Å²	20.4	13%	0.133	13%	0.126	C	C	.	.			trans	-153.5	139.9	175.8	59.4	0	0	0	0	110.2	P404 V538 L564	P404-V536 HydrophobicContact CB-CG1 3.62Å; P404-V536 HydrophobicContact CG-CG1 3.73Å; V536-V538 HydrophobicContact CG1-CG1 4.22Å; V536-V538 HydrophobicContact CG2-CG1 4.39Å; V536-L564 HydrophobicContact CB-CB 4.13Å; V536-L564 HydrophobicContact CG1-CB 4.03Å
537	I	97.1	Very high	96.9	Very high	21 Å²	21	20.4 Å²	20.4	11%	0.108	13%	0.126	C	C	.	.			trans	-88.8	112.4	165.2	-56	172	0	0	0	107.3	H530 L557 N559	H530-I537 HydrophobicContact CB-CD1 3.85Å; H530-I537 HydrophobicContact CB-CG1 3.7Å; I537-L557 HydrophobicContact CD1-CB 3.7Å; I537-L557 HydrophobicContact CD1-CD2 3.84Å; I537-L557 HydrophobicContact CD1-CG 4.39Å; I537-L557 HydrophobicContact CG2-CB 3.94Å; I537-L557 HydrophobicContact CG2-CD1 4.11Å; I537-L557 HydrophobicContact CG2-CD2 4.3Å; I537-L557 HydrophobicContact CG2-CG 4.35Å; I537-N559 WeakPolarHBondContact CB-OD1 3.32Å; I537-N559 PolarHBondContact N-OD1 3.4Å; I537-N559 PolarHBondContact O-ND2 3.22Å
538	V	96.1	Very high	96.9	Very high	8 Å²	8	20.8 Å²	20.8	5%	0.048	13%	0.128	C	C	.	.			trans	-89.4	157.9	169.3	-62.3	0	0	0	0	109.9	P404 S407 K409 N432 V536 E540	P404-V538 HydrophobicContact CB-CG1 4.26Å; S407-V538 CarbonylContact O-C 3.59Å; S407-V538 WeakPolarHBondContact O-CA 3.34Å; K409-V538 HydrophobicContact CB-CG1 4.22Å; N432-V538 HydrophobicContact CB-CG2 4.45Å; V536-V538 HydrophobicContact CG1-CG1 4.22Å; V536-V538 HydrophobicContact CG2-CG1 4.39Å; V538-E540 HydrophobicContact CG2-CB 4.09Å; V538-E540 HydrophobicContact CG2-CG 4.01Å; V538-E540 PolarHBondContact O-N 3.45Å
539	A	96.4	Very high	96.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-71.2	72.5	176.1	0	0	0	0	0	111.2	S407 G431 P450 W486 I488 V510	S407-A539 PolarHBondContact O-N 3.49Å; G431-A539 CarbonylContact C-O 3.59Å; G431-A539 VanDerWaalsContact C-O 3.27Å; G431-A539 WeakPolarHBondContact CA-O 3.45Å; P450-A539 WeakPolarHBondContact CD-O 3.32Å; P450-A539 HydrophobicContact CG-CB 4.05Å; W486-A539 HydrophobicContact CE3-CB 4.06Å; W486-A539 HydrophobicContact CH2-CB 3.85Å; W486-A539 HydrophobicContact CZ3-CB 3.47Å; W486-A539 VanDerWaalsContact CZ3-CB 3.47Å; I488-A539 HydrophobicContact CD1-CB 4.45Å; V510-A539 HydrophobicContact CG1-CB 4.46Å; V510-A539 HydrophobicContact CG2-CB 4.25Å
540	E	95.6	Very high	96.7	Very high	65 Å²	65	22 Å²	22	30%	0.304	13%	0.13	S	C	.	.			trans	-117.4	167.1	178.8	72.5	-177.4	135.9	0	0	112.6	N432 P450 V538 L542	N432-E540 HydrophobicContact CB-CB 3.6Å; N432-E540 PolarHBondContact ND2-OE2 3.3Å; N432-E540 VanDerWaalsContact ND2-OE2 3.16Å; P450-E540 WeakPolarHBondContact CA-O 3.43Å; V538-E540 HydrophobicContact CG2-CB 4.09Å; V538-E540 HydrophobicContact CG2-CG 4.01Å; V538-E540 PolarHBondContact O-N 3.45Å; E540-L542 HydrophobicContact CG-CD2 4.07Å; E540-L542 HydrophobicContact CG-CG 4.17Å; E540-L542 PolarHBondContact O-N 3.4Å
541	W	95.9	Very high	96.6	Very high	24 Å²	24	21.3 Å²	21.3	9%	0.091	13%	0.127	C	C	.	.			trans	-67.6	121.6	171.4	174.3	-98.7	0	0	0	111.5	L39 F42 S448 S449 P453 L481 S546	L39-W541 HydrophobicContact CD1-CH2 4.42Å; L39-W541 HydrophobicContact CD2-CH2 4.28Å; F42-W541 HydrophobicContact CD2-CH2 4.38Å; F42-W541 AromaticContact CD2-CZ2 3.79Å; F42-W541 HydrophobicContact CD2-CZ2 3.79Å; F42-W541 HydrophobicContact CE2-CH2 4.49Å; F42-W541 HydrophobicContact CE2-CZ2 4.33Å; S448-W541 PolarHBondContact OG-N 3.14Å; S449-W541 WeakPolarHBondContact O-CA 3.29Å; S449-W541 WeakPolarHBondContact O-CB 3.35Å; S449-W541 PolarHBondContact O-N 3.48Å; P453-W541 HydrophobicContact CB-CD2 4.01Å; P453-W541 HydrophobicContact CB-CE3 4.48Å; P453-W541 HydrophobicContact CB-CG 4.18Å; P453-W541 HydrophobicContact CG-CD2 3.87Å; P453-W541 HydrophobicContact CG-CE3 3.94Å; P453-W541 HydrophobicContact CG-CH2 4.06Å; P453-W541 HydrophobicContact CG-CZ2 3.97Å; P453-W541 HydrophobicContact CG-CZ3 4.03Å; L481-W541 HydrophobicContact CD1-CH2 3.45Å; L481-W541 VanDerWaalsContact CD1-CH2 3.45Å; L481-W541 HydrophobicContact CD1-CZ3 3.56Å; L481-W541 HydrophobicContact CG-CH2 4.31Å; L481-W541 HydrophobicContact CG-CZ3 4.15Å; W541-S546 WeakPolarHBondContact CH2-OG 3.47Å; W541-S546 WeakPolarHBondContact CZ3-OG 3.32Å
542	L	95.7	Very high	96.5	Very high	59 Å²	59	20.9 Å²	20.9	31%	0.309	12%	0.123	S	C	.	.			trans	-126.5	128.5	170.8	-61.1	174	0	0	0	109.5	E540 S544 T545 S546	E540-L542 HydrophobicContact CG-CD2 4.07Å; E540-L542 HydrophobicContact CG-CG 4.17Å; E540-L542 PolarHBondContact O-N 3.4Å; L542-S544 PolarHBondContact O-N 3.45Å; L542-T545 HydrophobicContact CB-CG2 4.21Å; L542-T545 WeakPolarHBondContact CB-OG1 3.11Å; L542-T545 HydrophobicContact CD1-CG2 4.24Å; L542-T545 PolarHBondContact O-OG1 3.38Å; L542-S546 VanDerWaalsContact O-CB 3.28Å; L542-S546 WeakPolarHBondContact O-CB 3.41Å; L542-S546 PolarHBondContact O-N 3.31Å; L542-S546 VanDerWaalsContact O-N 3.08Å; L542-S546 PolarHBondContact O-OG 2.82Å
543	L	95.8	Very high	96.6	Very high	17 Å²	17	19.5 Å²	19.5	9%	0.089	11%	0.108	C	C	.	.	H	α-helix	trans	-57.5	-52.7	-176.2	173.6	59.1	0	0	0	111.7	Y36 L39 T545 S546 V547	Y36-L543 HydrophobicContact CE2-CD2 3.95Å; Y36-L543 HydrophobicContact CE2-CG 4.26Å; L39-L543 VanDerWaalsContact C-CD1 3.41Å; L39-L543 HydrophobicContact CB-CD1 3.49Å; L39-L543 VanDerWaalsContact CB-CD1 3.49Å; L543-T545 PolarHBondContact O-N 2.97Å; L543-S546 PolarHBondContact O-N 3.29Å; L543-V547 HydrophobicContact CD1-CG2 3.86Å; L543-V547 HydrophobicContact CG-CG2 4.45Å; L543-V547 VanDerWaalsContact O-CG2 3.26Å; L543-V547 WeakPolarHBondContact O-CG2 3.24Å; L543-V547 PolarHBondContact O-N 2.91Å
544	S	96	Very high	96.6	Very high	57 Å²	57	19.5 Å²	19.5	40%	0.399	11%	0.108	S	C	.	.	H	α-helix	trans	-62.2	-45.6	-174.6	57	0	0	0	0	112.8	L542 S546 V547 L548	L542-S544 PolarHBondContact O-N 3.45Å; S544-S546 VanDerWaalsContact C-N 3.33Å; S544-S546 PolarHBondContact O-N 2.92Å; S544-V547 PolarHBondContact O-N 3.1Å; S544-L548 VanDerWaalsContact O-CG 3.28Å; S544-L548 WeakPolarHBondContact O-CG 3.36Å; S544-L548 PolarHBondContact O-N 2.93Å
545	T	97.1	Very high	96.7	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.012	11%	0.106	C	C	.	.	H	α-helix	trans	-67.5	-36.4	179.7	65.6	0	0	0	0	111.3	M512 L528 L542 L543 L548 C549 V555 L557	M512-T545 PolarHBondContact SD-OG1 3.22Å; L528-T545 HydrophobicContact CD1-CG2 3.83Å; L542-T545 HydrophobicContact CB-CG2 4.21Å; L542-T545 WeakPolarHBondContact CB-OG1 3.11Å; L542-T545 HydrophobicContact CD1-CG2 4.24Å; L542-T545 PolarHBondContact O-OG1 3.38Å; L543-T545 PolarHBondContact O-N 2.97Å; T545-L548 PolarHBondContact O-N 2.96Å; T545-C549 VanDerWaalsContact O-CB 3.26Å; T545-C549 WeakPolarHBondContact O-CB 3.47Å; T545-C549 PolarHBondContact O-N 3.38Å; T545-V555 HydrophobicContact CG2-CG1 4.23Å; T545-L557 HydrophobicContact CG2-CD1 4.34Å; T545-L557 HydrophobicContact CG2-CD2 3.9Å
546	S	96.9	Very high	96.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-67.1	-41.7	176.8	-56.9	0	0	0	0	111.8	P450 W541 L542 L543 S544 C549 R550	P450-S546 PolarHBondContact O-OG 3.01Å; W541-S546 WeakPolarHBondContact CH2-OG 3.47Å; W541-S546 WeakPolarHBondContact CZ3-OG 3.32Å; L542-S546 VanDerWaalsContact O-CB 3.28Å; L542-S546 WeakPolarHBondContact O-CB 3.41Å; L542-S546 PolarHBondContact O-N 3.31Å; L542-S546 VanDerWaalsContact O-N 3.08Å; L542-S546 PolarHBondContact O-OG 2.82Å; L543-S546 PolarHBondContact O-N 3.29Å; S544-S546 VanDerWaalsContact C-N 3.33Å; S544-S546 PolarHBondContact O-N 2.92Å; S546-C549 PolarHBondContact O-N 2.85Å; S546-R550 VanDerWaalsContact O-CB 3.29Å; S546-R550 WeakPolarHBondContact O-CB 3.39Å; S546-R550 VanDerWaalsContact O-CG 3.23Å; S546-R550 WeakPolarHBondContact O-CG 3.34Å; S546-R550 PolarHBondContact O-N 2.95Å
547	V	97.6	Very high	96.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.5	-47.2	173.9	-177.4	0	0	0	0	110.3	L35 Y36 L39 L543 S544 C549 R550 M551 F741	L35-V547 HydrophobicContact CD2-CG1 3.85Å; L35-V547 HydrophobicContact CG-CG1 3.97Å; Y36-V547 HydrophobicContact CD2-CG2 4.16Å; L39-V547 HydrophobicContact CB-CG2 4.05Å; L39-V547 HydrophobicContact CD1-CB 4.37Å; L39-V547 HydrophobicContact CD1-CG2 3.69Å; L39-V547 HydrophobicContact CG-CG2 4.33Å; L543-V547 HydrophobicContact CD1-CG2 3.86Å; L543-V547 HydrophobicContact CG-CG2 4.45Å; L543-V547 VanDerWaalsContact O-CG2 3.26Å; L543-V547 WeakPolarHBondContact O-CG2 3.24Å; L543-V547 PolarHBondContact O-N 2.91Å; S544-V547 PolarHBondContact O-N 3.1Å; V547-C549 VanDerWaalsContact C-N 3.34Å; V547-C549 PolarHBondContact O-N 2.77Å; V547-R550 CarbonylContact O-C 3.53Å; V547-R550 PolarHBondContact O-N 2.9Å; V547-M551 HydrophobicContact CG1-CG 4.39Å; V547-M551 HydrophobicContact CG1-SD 4.17Å; V547-M551 VanDerWaalsContact O-CG 3.26Å; V547-M551 WeakPolarHBondContact O-CG 3.49Å; V547-M551 PolarHBondContact O-N 2.72Å; V547-F741 HydrophobicContact CB-CE1 4.29Å; V547-F741 HydrophobicContact CB-CE2 3.92Å; V547-F741 HydrophobicContact CB-CZ 3.54Å; V547-F741 HydrophobicContact CG1-CE1 3.58Å; V547-F741 HydrophobicContact CG1-CE2 4.07Å; V547-F741 HydrophobicContact CG1-CZ 3.17Å; V547-F741 HydrophobicContact CG2-CZ 4.42Å
548	L	98.1	Very high	96.9	Very high	8 Å²	8	15.2 Å²	15.2	4%	0.042	8%	0.081	C	C	.	.	H	α-helix	trans	-59.6	-43.2	177.5	-70.3	170.9	0	0	0	112	I526 S544 T545 M551 G552 F553 V555 F741	I526-L548 HydrophobicContact CD1-CB 4.34Å; I526-L548 HydrophobicContact CD1-CD1 3.93Å; I526-L548 HydrophobicContact CD1-CD2 3.72Å; I526-L548 HydrophobicContact CD1-CG 4.2Å; S544-L548 VanDerWaalsContact O-CG 3.28Å; S544-L548 WeakPolarHBondContact O-CG 3.36Å; S544-L548 PolarHBondContact O-N 2.93Å; T545-L548 PolarHBondContact O-N 2.96Å; L548-M551 HydrophobicContact CD2-SD 4.06Å; L548-M551 WeakPolarHBondContact O-CB 3.39Å; L548-M551 PolarHBondContact O-N 3.29Å; L548-G552 PolarHBondContact O-N 3.22Å; L548-F553 HydrophobicContact CD2-CD2 4.33Å; L548-F553 WeakPolarHBondContact O-CB 3.26Å; L548-F553 WeakPolarHBondContact O-CD2 3.43Å; L548-F553 PolarHBondContact O-N 3.26Å; L548-F553 VanDerWaalsContact O-N 3.16Å; L548-V555 HydrophobicContact CB-CG2 3.98Å; L548-F741 HydrophobicContact CD2-CE2 4.25Å; L548-F741 HydrophobicContact CD2-CZ 4.32Å; L548-F741 HydrophobicContact CG-CE2 4.07Å; L548-F741 HydrophobicContact CG-CZ 4.46Å
549	C	97	Very high	97	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.007	8%	0.079	C	C	.	.	H	α-helix	trans	-61.6	-46.8	175.6	-171.4	0	0	0	0	111	I484 M512 P514 T545 S546 V547 M551 G552 F553	I484-C549 HydrophobicContact CD1-CB 4.4Å; I484-C549 HydrophobicContact CG1-CB 4.47Å; M512-C549 HydrophobicContact CE-CB 4.47Å; P514-C549 WeakPolarHBondContact CG-O 3.46Å; T545-C549 VanDerWaalsContact O-CB 3.26Å; T545-C549 WeakPolarHBondContact O-CB 3.47Å; T545-C549 PolarHBondContact O-N 3.38Å; S546-C549 PolarHBondContact O-N 2.85Å; V547-C549 VanDerWaalsContact C-N 3.34Å; V547-C549 PolarHBondContact O-N 2.77Å; C549-M551 VanDerWaalsContact C-N 3.27Å; C549-M551 PolarHBondContact O-N 2.85Å; C549-G552 WeakPolarHBondContact O-CA 3.4Å; C549-G552 PolarHBondContact O-N 2.78Å; C549-F553 WeakPolarHBondContact CA-O 3.4Å
550	R	95.8	Very high	97.1	Very high	54 Å²	54	14.9 Å²	14.9	20%	0.204	8%	0.079	C	C	.	.	H	α-helix	trans	-66.6	-24.5	177.2	-76.5	-78.2	-59.7	-88	-7.4	113.9	L35 E38 L39 D483 I484 S546 V547	L35-R550 HydrophobicContact CD1-CB 4.01Å; L35-R550 HydrophobicContact CD2-CB 3.69Å; L35-R550 HydrophobicContact CG-CB 4.34Å; E38-R550 IonicContact OE1-NH2 2.7Å; E38-R550 PolarHBondContact OE1-NH2 3.04Å; L39-R550 HydrophobicContact CD1-CG 4.28Å; D483-R550 VanDerWaalsContact CG-CD 3.42Å; D483-R550 WeakPolarHBondContact OD2-CD 3.41Å; D483-R550 IonicContact OD2-CZ 2.76Å; D483-R550 IonicContact OD2-NE 3.84Å; D483-R550 PolarHBondContact OD2-NE 3.37Å; D483-R550 IonicContact OD2-NH1 2.72Å; I484-R550 HydrophobicContact CD1-CG 4.06Å; I484-R550 HydrophobicContact CG1-CG 4.29Å; S546-R550 VanDerWaalsContact O-CB 3.29Å; S546-R550 WeakPolarHBondContact O-CB 3.39Å; S546-R550 VanDerWaalsContact O-CG 3.23Å; S546-R550 WeakPolarHBondContact O-CG 3.34Å; S546-R550 PolarHBondContact O-N 2.95Å; V547-R550 CarbonylContact O-C 3.53Å; V547-R550 PolarHBondContact O-N 2.9Å
551	M	96.3	Very high	97.3	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.01	6%	0.064	C	C	.	.	H	α-helix	trans	-68.8	-24.1	169.5	-72.2	165.2	67.9	0	0	111.7	V25 T26 I32 L35 V547 L548 C549 F553 F741 A745 I749	V25-M551 CarbonylContact C-O 3.51Å; V25-M551 WeakPolarHBondContact CA-O 3.21Å; T26-M551 PolarHBondContact N-O 3Å; T26-M551 PolarHBondContact OG1-O 3.18Å; I32-M551 HydrophobicContact CD1-CE 3.78Å; I32-M551 HydrophobicContact CG1-CE 3.81Å; I32-M551 HydrophobicContact CG1-SD 4.44Å; I32-M551 HydrophobicContact CG2-CE 4.07Å; I32-M551 HydrophobicContact CG2-SD 3.96Å; L35-M551 HydrophobicContact CD2-CG 3.83Å; V547-M551 HydrophobicContact CG1-CG 4.39Å; V547-M551 HydrophobicContact CG1-SD 4.17Å; V547-M551 VanDerWaalsContact O-CG 3.26Å; V547-M551 WeakPolarHBondContact O-CG 3.49Å; V547-M551 PolarHBondContact O-N 2.72Å; L548-M551 HydrophobicContact CD2-SD 4.06Å; L548-M551 WeakPolarHBondContact O-CB 3.39Å; L548-M551 PolarHBondContact O-N 3.29Å; C549-M551 VanDerWaalsContact C-N 3.27Å; C549-M551 PolarHBondContact O-N 2.85Å; M551-F553 HydrophobicContact CB-CD2 4.04Å; M551-F553 HydrophobicContact CB-CE2 4.23Å; M551-F553 HydrophobicContact CE-CD2 4.49Å; M551-F553 HydrophobicContact CE-CE2 3.78Å; M551-F741 HydrophobicContact SD-CZ 4.07Å; M551-A745 HydrophobicContact CE-CB 3.76Å; M551-A745 HydrophobicContact SD-CB 4.3Å; M551-I749 HydrophobicContact CE-CD1 3.83Å
552	G	95.4	Very high	97.4	Very high	13 Å²	13	10.6 Å²	10.6	13%	0.134	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	117.1	12.1	179.8	0	0	0	0	0	114.9	L548 C549	L548-G552 PolarHBondContact O-N 3.22Å; C549-G552 WeakPolarHBondContact O-CA 3.4Å; C549-G552 PolarHBondContact O-N 2.78Å
553	F	97.3	Very high	97.5	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.045	C	C	.	.			trans	-88.5	146.7	175.7	-66.7	-81	0	0	0	111.9	V25 P524 I526 L548 C549 M551 I748 I749 L752 L754	V25-F553 HydrophobicContact CG1-CD2 4.13Å; V25-F553 HydrophobicContact CG1-CE1 4.18Å; V25-F553 HydrophobicContact CG1-CE2 3.4Å; V25-F553 VanDerWaalsContact CG1-CE2 3.4Å; V25-F553 HydrophobicContact CG1-CZ 3.44Å; V25-F553 VanDerWaalsContact CG1-CZ 3.44Å; V25-F553 HydrophobicContact CG2-CD1 4.49Å; V25-F553 HydrophobicContact CG2-CE1 4.28Å; V25-F553 HydrophobicContact CG2-CZ 4.35Å; P524-F553 HydrophobicContact CB-CD1 3.83Å; P524-F553 HydrophobicContact CB-CE1 3.96Å; P524-F553 HydrophobicContact CG-CD1 3.6Å; P524-F553 HydrophobicContact CG-CE1 3.8Å; I526-F553 HydrophobicContact CD1-CB 3.92Å; I526-F553 HydrophobicContact CD1-CD1 3.73Å; I526-F553 HydrophobicContact CD1-CD2 3.9Å; I526-F553 HydrophobicContact CD1-CE1 4.19Å; I526-F553 HydrophobicContact CD1-CE2 4.33Å; I526-F553 HydrophobicContact CD1-CG 3.57Å; I526-F553 HydrophobicContact CD1-CZ 4.46Å; I526-F553 HydrophobicContact CG1-CB 4.21Å; I526-F553 HydrophobicContact CG1-CD1 3.84Å; I526-F553 HydrophobicContact CG1-CE1 4.42Å; I526-F553 HydrophobicContact CG1-CG 4.07Å; L548-F553 HydrophobicContact CD2-CD2 4.33Å; L548-F553 WeakPolarHBondContact O-CB 3.26Å; L548-F553 WeakPolarHBondContact O-CD2 3.43Å; L548-F553 PolarHBondContact O-N 3.26Å; L548-F553 VanDerWaalsContact O-N 3.16Å; C549-F553 WeakPolarHBondContact CA-O 3.4Å; M551-F553 HydrophobicContact CB-CD2 4.04Å; M551-F553 HydrophobicContact CB-CE2 4.23Å; M551-F553 HydrophobicContact CE-CD2 4.49Å; M551-F553 HydrophobicContact CE-CE2 3.78Å; F553-I748 HydrophobicContact CE1-CG2 3.96Å; F553-I748 HydrophobicContact CZ-CG2 4.06Å; F553-I749 HydrophobicContact CZ-CG1 4.08Å; F553-L752 HydrophobicContact CE1-CD1 4.02Å; F553-L754 HydrophobicContact CE1-CD1 3.68Å; F553-L754 HydrophobicContact CZ-CD1 3.9Å
554	G	97.6	Very high	97.6	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	141.7	152.8	0	0	0	0	0	110.2	P524 I526	P524-G554 PolarHBondContact O-N 2.84Å; I526-G554 PolarHBondContact N-O 3.14Å
555	V	98.4	Very high	97.6	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	116	177.4	-171.6	0	0	0	0	109.2	M512 I526 L528 T545 L548 L557	M512-V555 HydrophobicContact CB-CB 4.33Å; M512-V555 PolarHBondContact N-O 3.45Å; M512-V555 PolarHBondContact O-N 3.14Å; I526-V555 CarbonylContact O-C 3.57Å; I526-V555 WeakPolarHBondContact O-CA 3.5Å; L528-V555 HydrophobicContact CD1-CG1 3.48Å; L528-V555 VanDerWaalsContact CD1-CG1 3.48Å; L528-V555 HydrophobicContact CG-CG1 4.15Å; T545-V555 HydrophobicContact CG2-CG1 4.23Å; L548-V555 HydrophobicContact CB-CG2 3.98Å; V555-L557 HydrophobicContact CG1-CG 4.36Å
556	L	98.7	Very high	97.6	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	107.9	178.7	-177.3	72.4	0	0	0	109.7	A509 L511 L525 I526 L528 V558 A589 V590 V593	A509-L556 HydrophobicContact CB-CD1 3.57Å; A509-L556 HydrophobicContact CB-CG 4.19Å; L511-L556 HydrophobicContact CB-CD1 4.11Å; L511-L556 HydrophobicContact CD1-CB 4.31Å; L511-L556 HydrophobicContact CD1-CD1 4.07Å; L525-L556 HydrophobicContact CD1-CB 4.04Å; I526-L556 PolarHBondContact O-N 3.12Å; L528-L556 PolarHBondContact N-O 3.15Å; L556-V558 HydrophobicContact CD2-CG2 3.95Å; L556-V558 HydrophobicContact CG-CG2 3.84Å; L556-A589 HydrophobicContact CD2-CB 4.42Å; L556-V590 HydrophobicContact CD2-CG2 3.97Å; L556-V593 HydrophobicContact CD1-CG1 4.49Å; L556-V593 HydrophobicContact CD2-CG2 4.16Å
557	L	98.7	Very high	97.6	Very high	10 Å²	10	5.1 Å²	5.1	5%	0.052	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	107.3	179.9	-66.4	156.6	0	0	0	109.2	A509 V510 M512 L528 I537 T545 V555	A509-L557 CarbonylContact C-O 3.47Å; A509-L557 WeakPolarHBondContact CA-O 3.4Å; A509-L557 VanDerWaalsContact CB-O 3.24Å; A509-L557 WeakPolarHBondContact CB-O 3.33Å; V510-L557 HydrophobicContact CB-CB 4.11Å; V510-L557 HydrophobicContact CB-CD1 4.11Å; V510-L557 HydrophobicContact CG1-CD1 4.25Å; V510-L557 PolarHBondContact N-O 3.43Å; V510-L557 WeakPolarHBondContact O-CB 3.36Å; V510-L557 PolarHBondContact O-N 2.97Å; M512-L557 HydrophobicContact SD-CD1 4.14Å; L528-L557 HydrophobicContact CB-CD2 3.72Å; L528-L557 HydrophobicContact CD1-CD2 3.73Å; L528-L557 HydrophobicContact CG-CD2 4.35Å; L528-L557 WeakPolarHBondContact O-CA 3.31Å; I537-L557 HydrophobicContact CD1-CB 3.7Å; I537-L557 HydrophobicContact CD1-CD2 3.84Å; I537-L557 HydrophobicContact CD1-CG 4.39Å; I537-L557 HydrophobicContact CG2-CB 3.94Å; I537-L557 HydrophobicContact CG2-CD1 4.11Å; I537-L557 HydrophobicContact CG2-CD2 4.3Å; I537-L557 HydrophobicContact CG2-CG 4.35Å; T545-L557 HydrophobicContact CG2-CD1 4.34Å; T545-L557 HydrophobicContact CG2-CD2 3.9Å; V555-L557 HydrophobicContact CG1-CG 4.36Å
558	V	98.7	Very high	97.6	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	126.6	-168.9	-173.2	0	0	0	0	111.8	A509 V527 L528 H530 L556 V586 A589	A509-V558 HydrophobicContact CB-CG2 4.24Å; V527-V558 HydrophobicContact CG1-CG2 4.22Å; L528-V558 PolarHBondContact O-N 3.12Å; L528-V558 VanDerWaalsContact O-N 3.09Å; H530-V558 PolarHBondContact CD2-O 2.72Å; L556-V558 HydrophobicContact CD2-CG2 3.95Å; L556-V558 HydrophobicContact CG-CG2 3.84Å; V558-V586 HydrophobicContact CB-CG2 4.27Å; V558-V586 HydrophobicContact CG1-CG2 3.94Å; V558-V586 HydrophobicContact CG2-CG1 4.44Å; V558-A589 HydrophobicContact CG1-CB 4.15Å; V558-A589 HydrophobicContact CG2-CB 4.21Å
559	N	98.7	Very high	97.7	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	104.4	164.9	-64.2	-40.5	0	0	0	107.9	S407 Y507 E508 H530 I537 S563 F566	S407-N559 PolarHBondContact OG-ND2 2.88Å; Y507-N559 WeakPolarHBondContact CB-O 3.32Å; Y507-N559 WeakPolarHBondContact CD2-O 3.31Å; E508-N559 PolarHBondContact N-O 2.74Å; E508-N559 CarbonylContact O-C 3.59Å; E508-N559 WeakPolarHBondContact O-CA 3.41Å; E508-N559 WeakPolarHBondContact O-CB 3.29Å; E508-N559 PolarHBondContact O-N 2.81Å; H530-N559 PolarHBondContact CD2-OD1 2.87Å; H530-N559 PolarHBondContact NE2-OD1 3.5Å; I537-N559 WeakPolarHBondContact CB-OD1 3.32Å; I537-N559 PolarHBondContact N-OD1 3.4Å; I537-N559 PolarHBondContact O-ND2 3.22Å; N559-S563 WeakPolarHBondContact CA-OG 3.28Å; N559-F566 HydrophobicContact CB-CE2 4.28Å
560	Y	98.6	Very high	97.7	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.037	C	C	.	.			trans	-85.2	169	-179.7	46.2	-95	0	0	0	111.5	P529 H530 P533 G562 S563 L574 D582 V586 H610 L614	P529-Y560 HydrophobicContact CB-CE1 4.37Å; H530-Y560 AromaticContact CE1-CE1 3.88Å; H530-Y560 AromaticContact CE1-CZ 3.6Å; H530-Y560 PolarHBondContact CE1-OH 3.06Å; H530-Y560 PolarHBondContact ND1-OH 3.39Å; H530-Y560 AromaticContact NE2-CE1 3.94Å; H530-Y560 PolarHBondContact O-OH 3.05Å; P533-Y560 VanDerWaalsContact CA-OH 3.29Å; P533-Y560 WeakPolarHBondContact CA-OH 3.02Å; P533-Y560 HydrophobicContact CB-CE2 4.01Å; P533-Y560 PolarHBondContact O-OH 3.05Å; P533-Y560 VanDerWaalsContact O-OH 3.06Å; Y560-G562 PolarHBondContact O-N 2.9Å; Y560-S563 PolarHBondContact N-OG 3.25Å; Y560-S563 WeakPolarHBondContact O-CB 3.47Å; Y560-S563 PolarHBondContact O-N 2.78Å; Y560-S563 PolarHBondContact O-OG 2.75Å; Y560-L574 HydrophobicContact CD2-CD2 4.2Å; Y560-L574 HydrophobicContact CE2-CD2 3.83Å; Y560-D582 HydrophobicContact CD2-CB 3.63Å; Y560-D582 HydrophobicContact CE2-CB 4.15Å; Y560-D582 HydrophobicContact CG-CB 3.93Å; Y560-V586 HydrophobicContact CD1-CG2 4.12Å; Y560-H610 AromaticContact CZ-CD2 3.87Å; Y560-H610 PolarHBondContact OH-CD2 3.36Å; Y560-H610 VanDerWaalsContact OH-CD2 3.27Å; Y560-L614 HydrophobicContact CD1-CD1 3.61Å; Y560-L614 HydrophobicContact CE1-CD1 3.24Å; Y560-L614 HydrophobicContact CG-CD1 4.42Å
561	R	98.3	Very high	97.8	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	125.3	173.9	-68.9	176.5	-71.8	172.9	-4.6	110	L497 D498 N499 I505 Y507 Q581 D585	L497-R561 PolarHBondContact O-NH1 3.46Å; L497-R561 PolarHBondContact O-NH2 2.76Å; D498-R561 IonicContact OD1-NH1 3.54Å; N499-R561 VanDerWaalsContact N-NH1 3.2Å; I505-R561 HydrophobicContact CB-CG 4.22Å; I505-R561 HydrophobicContact CG2-CG 3.79Å; I505-R561 WeakPolarHBondContact O-CD 3.42Å; Y507-R561 HydrophobicContact CD1-CG 4Å; Y507-R561 HydrophobicContact CG-CG 4.37Å; R561-Q581 VanDerWaalsContact CB-NE2 3.31Å; R561-D585 VanDerWaalsContact CB-OD2 3.23Å; R561-D585 WeakPolarHBondContact CB-OD2 3.39Å; R561-D585 VanDerWaalsContact CG-OD2 3.29Å; R561-D585 WeakPolarHBondContact CG-OD2 3.4Å; R561-D585 IonicContact CZ-OD1 2.84Å; R561-D585 IonicContact CZ-OD2 3.62Å; R561-D585 PolarHBondContact N-OD2 3.33Å; R561-D585 IonicContact NE-OD1 3.46Å; R561-D585 PolarHBondContact NE-OD1 2.91Å; R561-D585 VanDerWaalsContact NE-OD1 3.13Å; R561-D585 IonicContact NE-OD2 2.75Å; R561-D585 PolarHBondContact NE-OD2 3.01Å; R561-D585 IonicContact NH2-OD1 3.56Å; R561-D585 PolarHBondContact NH2-OD1 2.92Å; R561-D585 IonicContact NH2-OD2 3.93Å
562	G	97.9	Very high	97.9	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	117.1	-19.6	-164.2	0	0	0	0	0	113.8	H534 Y560 S570	H534-G562 PolarHBondContact ND1-O 2.8Å; Y560-G562 PolarHBondContact O-N 2.9Å; G562-S570 VanDerWaalsContact CA-O 3.23Å; G562-S570 WeakPolarHBondContact CA-O 3.3Å; G562-S570 PolarHBondContact N-O 3.13Å; G562-S570 VanDerWaalsContact N-O 3.14Å; G562-S570 PolarHBondContact N-OG 3.3Å; G562-S570 VanDerWaalsContact N-OG 3.14Å
563	S	98.3	Very high	98	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.033	C	C	.	.			trans	-66.8	153.8	173.6	-58.2	0	0	0	0	112.8	H530 S535 N559 Y560	H530-S563 PolarHBondContact CE1-OG 3.22Å; H530-S563 PolarHBondContact NE2-OG 3.08Å; S535-S563 CarbonylContact O-C 3.48Å; S535-S563 WeakPolarHBondContact O-CA 3.31Å; S535-S563 WeakPolarHBondContact O-CB 3.42Å; N559-S563 WeakPolarHBondContact CA-OG 3.28Å; Y560-S563 PolarHBondContact N-OG 3.25Å; Y560-S563 WeakPolarHBondContact O-CB 3.47Å; Y560-S563 PolarHBondContact O-N 2.78Å; Y560-S563 PolarHBondContact O-OG 2.75Å
564	L	97.7	Very high	98.1	Very high	9 Å²	9	6.3 Å²	6.3	5%	0.047	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	157.3	178.6	-53.5	-179.3	0	0	0	112	M349 Y383 H534 S535 V536 F566 V571	M349-L564 HydrophobicContact CB-CD1 3.92Å; M349-L564 HydrophobicContact CB-CD2 3.93Å; M349-L564 HydrophobicContact CB-CG 4.5Å; M349-L564 HydrophobicContact CE-CD1 4.08Å; M349-L564 HydrophobicContact CG-CD1 4.4Å; Y383-L564 HydrophobicContact CD1-CB 4.03Å; Y383-L564 HydrophobicContact CD1-CD2 3.78Å; Y383-L564 HydrophobicContact CD1-CG 4.35Å; Y383-L564 HydrophobicContact CE1-CD2 4.2Å; Y383-L564 HydrophobicContact CG-CB 4.05Å; H534-L564 HydrophobicContact CB-CD2 4.04Å; S535-L564 PolarHBondContact O-N 2.84Å; V536-L564 HydrophobicContact CB-CB 4.13Å; V536-L564 HydrophobicContact CG1-CB 4.03Å; L564-F566 VanDerWaalsContact O-CD2 3.24Å; L564-F566 WeakPolarHBondContact O-CD2 3.05Å; L564-F566 WeakPolarHBondContact O-CE2 3.33Å; L564-V571 HydrophobicContact CD2-CG2 4.04Å
565	G	96.6	Very high	98.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	7.8	177.1	0	0	0	0	0	114.9	T380 R406	T380-G565 WeakPolarHBondContact CB-O 3.24Å; T380-G565 WeakPolarHBondContact CG2-O 3.45Å; T380-G565 VanDerWaalsContact OG1-C 3.23Å; T380-G565 PolarHBondContact OG1-O 2.8Å; R406-G565 WeakPolarHBondContact CA-O 3.35Å; R406-G565 WeakPolarHBondContact CG-O 3.27Å; R406-G565 PolarHBondContact N-O 3.13Å
566	F	97.3	Very high	98.1	Very high	10 Å²	10	9.2 Å²	9.2	4%	0.044	5%	0.052	C	C	.	.	S	Bend	trans	-114.9	7.5	-179.3	-65.7	-89.7	0	0	0	114.2	R406 D506 E508 N559 L564	R406-F566 HydrophobicContact CB-CD1 4.47Å; R406-F566 HydrophobicContact CB-CE1 3.86Å; R406-F566 HydrophobicContact CB-CZ 3.87Å; R406-F566 HydrophobicContact CG-CD1 4.08Å; R406-F566 HydrophobicContact CG-CE1 3.89Å; R406-F566 HydrophobicContact CG-CZ 4.37Å; D506-F566 WeakPolarHBondContact O-CD1 3.41Å; E508-F566 HydrophobicContact CB-CE1 4.32Å; E508-F566 HydrophobicContact CB-CZ 3.93Å; E508-F566 HydrophobicContact CG-CE1 3.82Å; E508-F566 HydrophobicContact CG-CZ 3.91Å; N559-F566 HydrophobicContact CB-CE2 4.28Å; L564-F566 VanDerWaalsContact O-CD2 3.24Å; L564-F566 WeakPolarHBondContact O-CD2 3.05Å; L564-F566 WeakPolarHBondContact O-CE2 3.33Å
567	G	97.5	Very high	98.1	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.067	C	C	.	.			trans	95.6	149.4	-171.2	0	0	0	0	0	112.3	G372 Y383 D569 S570	G372-G567 CarbonylContact O-C 3.52Å; G372-G567 WeakPolarHBondContact O-CA 3.31Å; Y383-G567 WeakPolarHBondContact OH-CA 3.46Å; Y383-G567 PolarHBondContact OH-N 2.82Å; Y383-G567 VanDerWaalsContact OH-N 3.08Å; Y383-G567 PolarHBondContact OH-O 3.38Å; G567-D569 PolarHBondContact O-N 2.7Å; G567-S570 WeakPolarHBondContact O-CB 3.25Å; G567-S570 PolarHBondContact O-N 3.27Å
568	Q	98.1	Very high	98	Very high	13 Å²	13	11.7 Å²	11.7	6%	0.061	7%	0.065	C	C	.	.	H	α-helix	trans	-60.5	-28.6	-177.7	-176.9	60	20.1	0	0	112.3	C351 I370 V371 G372 Y383 S570 V571 L572	C351-Q568 HydrophobicContact CB-CB 3.98Å; C351-Q568 HydrophobicContact CB-CG 4.5Å; I370-Q568 HydrophobicContact CG2-CB 3.91Å; I370-Q568 HydrophobicContact CG2-CG 4.07Å; V371-Q568 WeakPolarHBondContact O-CB 3.42Å; V371-Q568 PolarHBondContact O-N 2.83Å; G372-Q568 PolarHBondContact O-N 3.11Å; Y383-Q568 PolarHBondContact OH-N 3.46Å; Y383-Q568 VanDerWaalsContact OH-N 3.1Å; Q568-S570 PolarHBondContact O-N 2.79Å; Q568-V571 WeakPolarHBondContact O-CB 3.44Å; Q568-V571 PolarHBondContact O-N 3.31Å; Q568-L572 HydrophobicContact CG-CD1 4.04Å; Q568-L572 HydrophobicContact CG-CG 4.23Å; Q568-L572 WeakPolarHBondContact O-CG 3.48Å; Q568-L572 PolarHBondContact O-N 3.45Å
569	D	98.3	Very high	98	Very high	39 Å²	39	11.9 Å²	11.9	21%	0.209	7%	0.068	C	C	.	.	H	α-helix	trans	-61.4	-33.9	175.2	-71.2	14	0	0	0	111.9	G372 R373 Y502 I505 G567 L572 S573	G372-D569 WeakPolarHBondContact CA-OD1 3.39Å; G372-D569 WeakPolarHBondContact O-CB 3.4Å; G372-D569 PolarHBondContact O-N 2.76Å; R373-D569 WeakPolarHBondContact CD-OD2 3.49Å; R373-D569 WeakPolarHBondContact CG-OD2 3.37Å; R373-D569 IonicContact CZ-OD2 3.77Å; R373-D569 IonicContact NE-OD2 3.08Å; R373-D569 PolarHBondContact NE-OD2 3.27Å; R373-D569 IonicContact NH2-OD2 3.72Å; Y502-D569 HydrophobicContact CD1-CB 3.7Å; Y502-D569 HydrophobicContact CE1-CB 4.23Å; Y502-D569 HydrophobicContact CG-CB 4.48Å; I505-D569 HydrophobicContact CD1-CB 4.27Å; G567-D569 PolarHBondContact O-N 2.7Å; D569-L572 PolarHBondContact O-N 3.11Å; D569-S573 VanDerWaalsContact O-CB 3.31Å; D569-S573 WeakPolarHBondContact O-CB 3.01Å; D569-S573 PolarHBondContact O-N 2.89Å
570	S	97.9	Very high	98	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.007	9%	0.087	C	C	.	.	H	α-helix	trans	-63.5	-47.3	174.1	-174.9	0	0	0	0	111.5	G562 G567 Q568 L572 S573	G562-S570 VanDerWaalsContact CA-O 3.23Å; G562-S570 WeakPolarHBondContact CA-O 3.3Å; G562-S570 PolarHBondContact N-O 3.13Å; G562-S570 VanDerWaalsContact N-O 3.14Å; G562-S570 PolarHBondContact N-OG 3.3Å; G562-S570 VanDerWaalsContact N-OG 3.14Å; G567-S570 WeakPolarHBondContact O-CB 3.25Å; G567-S570 PolarHBondContact O-N 3.27Å; Q568-S570 PolarHBondContact O-N 2.79Å; S570-L572 PolarHBondContact O-N 3.41Å; S570-S573 PolarHBondContact O-N 3.08Å; S570-S573 PolarHBondContact O-OG 3.13Å
571	V	98.2	Very high	98	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-57	-50.1	175.4	175.6	0	0	0	0	110.4	P347 Y383 H534 L564 Q568 S573 L574	P347-V571 HydrophobicContact CB-CG1 3.54Å; P347-V571 HydrophobicContact CG-CG1 3.66Å; Y383-V571 HydrophobicContact CE1-CG2 4.35Å; H534-V571 PolarHBondContact CE1-O 2.85Å; L564-V571 HydrophobicContact CD2-CG2 4.04Å; Q568-V571 WeakPolarHBondContact O-CB 3.44Å; Q568-V571 PolarHBondContact O-N 3.31Å; V571-S573 VanDerWaalsContact C-N 3.33Å; V571-S573 PolarHBondContact O-N 3.25Å; V571-L574 PolarHBondContact O-N 3.24Å
572	L	98.2	Very high	98	Very high	50 Å²	50	15 Å²	15	26%	0.262	9%	0.089	S	C	.	.	H	α-helix	trans	-68.5	-28.4	-178.3	-65.8	175.4	0	0	0	113.5	P347 Y502 Q568 D569 S570 L574 L575	P347-L572 HydrophobicContact CG-CD2 4.26Å; Y502-L572 HydrophobicContact CE1-CB 4.31Å; Y502-L572 HydrophobicContact CE2-CB 4.1Å; Q568-L572 HydrophobicContact CG-CD1 4.04Å; Q568-L572 HydrophobicContact CG-CG 4.23Å; Q568-L572 WeakPolarHBondContact O-CG 3.48Å; Q568-L572 PolarHBondContact O-N 3.45Å; D569-L572 PolarHBondContact O-N 3.11Å; S570-L572 PolarHBondContact O-N 3.41Å; L572-L574 PolarHBondContact O-N 3.33Å; L572-L575 HydrophobicContact CD2-CD1 4.02Å; L572-L575 PolarHBondContact O-N 3.11Å
573	S	98.3	Very high	98	Very high	1 Å²	1	15 Å²	15	1%	0.007	9%	0.089	C	C	.	.	H	α-helix	trans	-62	-26.3	179.6	77.4	0	0	0	0	113.3	N499 D569 S570 V571 N577 Q581	N499-S573 PolarHBondContact ND2-O 2.82Å; N499-S573 VanDerWaalsContact ND2-O 3.11Å; D569-S573 VanDerWaalsContact O-CB 3.31Å; D569-S573 WeakPolarHBondContact O-CB 3.01Å; D569-S573 PolarHBondContact O-N 2.89Å; S570-S573 PolarHBondContact O-N 3.08Å; S570-S573 PolarHBondContact O-OG 3.13Å; V571-S573 VanDerWaalsContact C-N 3.33Å; V571-S573 PolarHBondContact O-N 3.25Å; S573-N577 PolarHBondContact O-ND2 2.99Å; S573-Q581 PolarHBondContact O-OE1 2.94Å; S573-Q581 PolarHBondContact OG-NE2 3.43Å; S573-Q581 VanDerWaalsContact OG-NE2 3.13Å
574	L	98.5	Very high	98	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-84.5	-24.8	-176.3	-175.5	58.4	0	0	0	113.3	P533 Y560 V571 L572 G576 N577 V578 Q581 D582	P533-L574 HydrophobicContact CB-CD2 3.51Å; P533-L574 HydrophobicContact CG-CD2 3.82Å; Y560-L574 HydrophobicContact CD2-CD2 4.2Å; Y560-L574 HydrophobicContact CE2-CD2 3.83Å; V571-L574 PolarHBondContact O-N 3.24Å; L572-L574 PolarHBondContact O-N 3.33Å; L574-G576 PolarHBondContact O-N 2.83Å; L574-N577 CarbonylContact O-C 3.19Å; L574-N577 WeakPolarHBondContact O-CA 3.45Å; L574-N577 PolarHBondContact O-N 2.92Å; L574-V578 HydrophobicContact CD1-CG1 3.92Å; L574-V578 HydrophobicContact CD2-CG1 4.19Å; L574-V578 HydrophobicContact CG-CG1 3.76Å; L574-V578 PolarHBondContact O-N 3.4Å; L574-Q581 HydrophobicContact CD1-CB 4.48Å; L574-D582 HydrophobicContact CD1-CB 3.75Å
575	L	97.9	Very high	98.1	Very high	43 Å²	43	17 Å²	17	23%	0.225	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	126.7	179.8	-60.9	-172.9	0	0	0	110.3	P347 L572 N577 V653	P347-L575 HydrophobicContact CG-CD1 3.91Å; P347-L575 HydrophobicContact CG-CD2 4.15Å; P347-L575 HydrophobicContact CG-CG 4.34Å; L572-L575 HydrophobicContact CD2-CD1 4.02Å; L572-L575 PolarHBondContact O-N 3.11Å; L575-N577 PolarHBondContact O-N 3.45Å; L575-V653 HydrophobicContact CD1-CG1 4.29Å; L575-V653 HydrophobicContact CD2-CG1 3.62Å
576	G	97.6	Very high	98.2	Very high	18 Å²	18	17 Å²	17	19%	0.186	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	6.8	-175.1	0	0	0	0	0	114.4	L574 E654 G656 K676	L574-G576 PolarHBondContact O-N 2.83Å; G576-E654 PolarHBondContact N-O 3.1Å; G576-G656 VanDerWaalsContact CA-CA 3.45Å; G576-K676 VanDerWaalsContact C-NZ 3.27Å; G576-K676 WeakPolarHBondContact O-CE 3.16Å; G576-K676 PolarHBondContact O-NZ 3.03Å
577	N	98.1	Very high	98.2	Very high	59 Å²	59	16.7 Å²	16.7	32%	0.316	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.5	1.5	178.1	-65.9	-54.9	0	0	0	113.8	S573 L574 L575 S580 Q581	S573-N577 PolarHBondContact O-ND2 2.99Å; L574-N577 CarbonylContact O-C 3.19Å; L574-N577 WeakPolarHBondContact O-CA 3.45Å; L574-N577 PolarHBondContact O-N 2.92Å; L575-N577 PolarHBondContact O-N 3.45Å; N577-S580 PolarHBondContact O-N 3.31Å; N577-Q581 HydrophobicContact CB-CB 3.82Å; N577-Q581 PolarHBondContact O-N 2.87Å
578	V	98.5	Very high	98.2	Very high	2 Å²	2	18 Å²	18	1%	0.012	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	141.4	173.1	-61.8	0	0	0	0	112.1	L574 S580 F613 E654 K676	L574-V578 HydrophobicContact CD1-CG1 3.92Å; L574-V578 HydrophobicContact CD2-CG1 4.19Å; L574-V578 HydrophobicContact CG-CG1 3.76Å; L574-V578 PolarHBondContact O-N 3.4Å; V578-S580 PolarHBondContact O-N 2.93Å; V578-F613 HydrophobicContact CB-CE1 4.12Å; V578-F613 HydrophobicContact CB-CZ 4.13Å; V578-F613 HydrophobicContact CG2-CZ 4.16Å; V578-E654 HydrophobicContact CG1-CB 4.07Å; V578-E654 HydrophobicContact CG2-CB 4.2Å; V578-E654 WeakPolarHBondContact CG2-O 3.43Å; V578-K676 HydrophobicContact CG2-CB 4.32Å; V578-K676 HydrophobicContact CG2-CD 4.09Å
579	G	98.3	Very high	98.2	Very high	5 Å²	5	17.3 Å²	17.3	5%	0.052	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	4.8	-177.1	0	0	0	0	0	113.3	D582 H617 Q621	G579-D582 PolarHBondContact N-OD1 3.35Å; G579-H617 WeakPolarHBondContact CA-NE2 3.12Å; G579-Q621 PolarHBondContact O-NE2 3.26Å
580	S	97.9	Very high	98.2	Very high	57 Å²	57	15.5 Å²	15.5	40%	0.399	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.2	-68.1	177.4	-177.2	0	0	0	0	110.8	N577 V578 D582 V583 M584	N577-S580 PolarHBondContact O-N 3.31Å; V578-S580 PolarHBondContact O-N 2.93Å; S580-D582 PolarHBondContact N-OD1 2.79Å; S580-V583 PolarHBondContact O-N 3.37Å; S580-M584 WeakPolarHBondContact O-CB 3.48Å; S580-M584 WeakPolarHBondContact O-CE 3.37Å; S580-M584 VanDerWaalsContact O-CG 3.24Å; S580-M584 WeakPolarHBondContact O-CG 3.11Å; S580-M584 PolarHBondContact O-N 3.02Å
581	Q	98.1	Very high	98.1	Very high	8 Å²	8	19.4 Å²	19.4	4%	0.037	11%	0.113	C	C	.	.	H	α-helix	trans	-63	-53.5	-176.4	-179.5	179.6	-79.7	0	0	111.7	N499 R561 S573 L574 N577 V583 M584 D585	N499-Q581 PolarHBondContact ND2-OE1 2.83Å; R561-Q581 VanDerWaalsContact CB-NE2 3.31Å; S573-Q581 PolarHBondContact O-OE1 2.94Å; S573-Q581 PolarHBondContact OG-NE2 3.43Å; S573-Q581 VanDerWaalsContact OG-NE2 3.13Å; L574-Q581 HydrophobicContact CD1-CB 4.48Å; N577-Q581 HydrophobicContact CB-CB 3.82Å; N577-Q581 PolarHBondContact O-N 2.87Å; Q581-V583 VanDerWaalsContact C-N 3.3Å; Q581-V583 PolarHBondContact O-N 3.47Å; Q581-M584 PolarHBondContact O-N 2.78Å; Q581-D585 VanDerWaalsContact O-CG 3.29Å; Q581-D585 PolarHBondContact O-N 3.11Å
582	D	98.4	Very high	97.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.1	-37	178	54	-10.5	0	0	0	112.5	Y560 L574 G579 S580 V586 H610 L614	Y560-D582 HydrophobicContact CD2-CB 3.63Å; Y560-D582 HydrophobicContact CE2-CB 4.15Å; Y560-D582 HydrophobicContact CG-CB 3.93Å; L574-D582 HydrophobicContact CD1-CB 3.75Å; G579-D582 PolarHBondContact N-OD1 3.35Å; S580-D582 PolarHBondContact N-OD1 2.79Å; D582-V586 VanDerWaalsContact O-CG2 3.31Å; D582-V586 WeakPolarHBondContact O-CG2 3.15Å; D582-V586 PolarHBondContact O-N 3.01Å; D582-V586 VanDerWaalsContact O-N 3.09Å; D582-H610 IonicContact OD2-CD2 3.86Å; D582-H610 IonicContact OD2-CE1 2.83Å; D582-H610 PolarHBondContact OD2-CE1 3.31Å; D582-H610 IonicContact OD2-NE2 3.93Å; D582-H610 PolarHBondContact OD2-NE2 3.47Å; D582-L614 HydrophobicContact CB-CD2 3.84Å; D582-L614 VanDerWaalsContact CG-CD2 3.47Å; D582-L614 WeakPolarHBondContact OD2-CD2 3.25Å
583	V	98.8	Very high	97.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.2	-45.4	173.7	175.1	0	0	0	0	111.5	S580 Q581 V586 Q587 L614 H617 L618 Y622	S580-V583 PolarHBondContact O-N 3.37Å; Q581-V583 VanDerWaalsContact C-N 3.3Å; Q581-V583 PolarHBondContact O-N 3.47Å; V583-V586 PolarHBondContact O-N 3.05Å; V583-Q587 PolarHBondContact O-N 3.43Å; V583-L614 HydrophobicContact CB-CD2 4.46Å; V583-L614 HydrophobicContact CG2-CD2 3.62Å; V583-H617 HydrophobicContact CG1-CB 4.48Å; V583-H617 HydrophobicContact CG2-CB 3.56Å; V583-L618 HydrophobicContact CG1-CD2 3.84Å; V583-L618 HydrophobicContact CG1-CG 4.28Å; V583-Y622 HydrophobicContact CG1-CE2 3.95Å
584	M	98.4	Very high	97.4	Very high	50 Å²	50	20.6 Å²	20.6	25%	0.246	13%	0.125	C	C	.	.	H	α-helix	trans	-66.5	-39.9	178.5	-71.1	-177.5	-58.5	0	0	111.9	L497 S580 Q581 Q587 A588	L497-M584 HydrophobicContact CD2-CB 4.19Å; L497-M584 HydrophobicContact CD2-CE 4.25Å; L497-M584 HydrophobicContact CD2-CG 4.21Å; L497-M584 HydrophobicContact CD2-SD 3.43Å; L497-M584 WeakPolarHBondContact CD2-SD 3.36Å; S580-M584 WeakPolarHBondContact O-CB 3.48Å; S580-M584 WeakPolarHBondContact O-CE 3.37Å; S580-M584 VanDerWaalsContact O-CG 3.24Å; S580-M584 WeakPolarHBondContact O-CG 3.11Å; S580-M584 PolarHBondContact O-N 3.02Å; Q581-M584 PolarHBondContact O-N 2.78Å; M584-Q587 PolarHBondContact O-N 2.85Å; M584-A588 VanDerWaalsContact O-CB 3.3Å; M584-A588 WeakPolarHBondContact O-CB 3.38Å; M584-A588 PolarHBondContact O-N 2.93Å
585	D	98.6	Very high	96.2	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-61.7	-45.1	176.4	-71.9	-8.9	0	0	0	111.3	Y507 R561 Q581 A588 A589	Y507-D585 HydrophobicContact CD2-CB 4.25Å; Y507-D585 HydrophobicContact CE1-CB 4.27Å; Y507-D585 HydrophobicContact CE2-CB 3.85Å; Y507-D585 PolarHBondContact OH-O 2.84Å; R561-D585 VanDerWaalsContact CB-OD2 3.23Å; R561-D585 WeakPolarHBondContact CB-OD2 3.39Å; R561-D585 VanDerWaalsContact CG-OD2 3.29Å; R561-D585 WeakPolarHBondContact CG-OD2 3.4Å; R561-D585 IonicContact CZ-OD1 2.84Å; R561-D585 IonicContact CZ-OD2 3.62Å; R561-D585 PolarHBondContact N-OD2 3.33Å; R561-D585 IonicContact NE-OD1 3.46Å; R561-D585 PolarHBondContact NE-OD1 2.91Å; R561-D585 VanDerWaalsContact NE-OD1 3.13Å; R561-D585 IonicContact NE-OD2 2.75Å; R561-D585 PolarHBondContact NE-OD2 3.01Å; R561-D585 IonicContact NH2-OD1 3.56Å; R561-D585 PolarHBondContact NH2-OD1 2.92Å; R561-D585 IonicContact NH2-OD2 3.93Å; Q581-D585 VanDerWaalsContact O-CG 3.29Å; Q581-D585 PolarHBondContact O-N 3.11Å; D585-A588 PolarHBondContact O-N 2.8Å; D585-A589 WeakPolarHBondContact O-CB 3.48Å; D585-A589 PolarHBondContact O-N 2.76Å
586	V	98.8	Very high	95	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.6	-46.9	176.2	176.9	0	0	0	0	111	V527 P529 V558 Y560 D582 V583 A588 A589 V590 L614 L618	V527-V586 HydrophobicContact CG1-CG1 3.97Å; P529-V586 HydrophobicContact CB-CG2 3.98Å; V558-V586 HydrophobicContact CB-CG2 4.27Å; V558-V586 HydrophobicContact CG1-CG2 3.94Å; V558-V586 HydrophobicContact CG2-CG1 4.44Å; Y560-V586 HydrophobicContact CD1-CG2 4.12Å; D582-V586 VanDerWaalsContact O-CG2 3.31Å; D582-V586 WeakPolarHBondContact O-CG2 3.15Å; D582-V586 PolarHBondContact O-N 3.01Å; D582-V586 VanDerWaalsContact O-N 3.09Å; V583-V586 PolarHBondContact O-N 3.05Å; V586-A588 PolarHBondContact O-N 3.38Å; V586-A589 PolarHBondContact O-N 2.72Å; V586-V590 HydrophobicContact CG1-CG2 4.42Å; V586-V590 VanDerWaalsContact O-CG2 3.26Å; V586-V590 WeakPolarHBondContact O-CG2 3.2Å; V586-V590 PolarHBondContact O-N 3.3Å; V586-L614 HydrophobicContact CG2-CD1 4.28Å; V586-L618 HydrophobicContact CB-CD1 4.14Å; V586-L618 HydrophobicContact CG1-CD1 3.55Å; V586-L618 HydrophobicContact CG1-CD2 4.5Å
587	Q	98.4	Very high	94.4	Very high	3 Å²	3	29.9 Å²	29.9	1%	0.014	18%	0.18	C	C	.	.	H	α-helix	trans	-60.5	-44.9	179.1	-178.3	66.7	15.9	0	0	111.9	V583 M584 A589 V590 E591 L618 Y622 F625 Y626	V583-Q587 PolarHBondContact O-N 3.43Å; M584-Q587 PolarHBondContact O-N 2.85Å; Q587-A589 PolarHBondContact O-N 2.88Å; Q587-V590 PolarHBondContact O-N 2.79Å; Q587-E591 HydrophobicContact CG-CG 4.44Å; Q587-E591 PolarHBondContact NE2-OE1 2.81Å; Q587-E591 WeakPolarHBondContact O-CG 3.34Å; Q587-E591 PolarHBondContact O-N 3.36Å; Q587-L618 HydrophobicContact CB-CD2 4.19Å; Q587-Y622 HydrophobicContact CB-CE1 4.42Å; Q587-Y622 HydrophobicContact CB-CE2 3.87Å; Q587-Y622 HydrophobicContact CG-CD1 4.11Å; Q587-Y622 HydrophobicContact CG-CD2 4.36Å; Q587-Y622 HydrophobicContact CG-CE1 3.64Å; Q587-Y622 HydrophobicContact CG-CE2 3.92Å; Q587-Y622 HydrophobicContact CG-CG 4.45Å; Q587-F625 VanDerWaalsContact NE2-CZ 3.26Å; Q587-Y626 PolarHBondContact OE1-OH 2.86Å
588	A	97.3	Very high	94.2	Very high	27 Å²	27	27.1 Å²	27.1	22%	0.223	17%	0.165	C	C	.	.	H	α-helix	trans	-63.3	-42.1	179.4	0	0	0	0	0	112	M584 D585 V586 V590 E591 S592	M584-A588 VanDerWaalsContact O-CB 3.3Å; M584-A588 WeakPolarHBondContact O-CB 3.38Å; M584-A588 PolarHBondContact O-N 2.93Å; D585-A588 PolarHBondContact O-N 2.8Å; V586-A588 PolarHBondContact O-N 3.38Å; A588-V590 VanDerWaalsContact C-N 3.31Å; A588-V590 PolarHBondContact O-N 2.92Å; A588-E591 PolarHBondContact O-N 2.87Å; A588-S592 WeakPolarHBondContact O-CB 3.3Å; A588-S592 PolarHBondContact O-N 2.83Å
589	A	97.4	Very high	94	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.6	-42	173.8	0	0	0	0	0	111.7	F491 Y507 L556 V558 D585 V586 Q587 S592	F491-A589 HydrophobicContact CD2-CB 4.22Å; F491-A589 HydrophobicContact CE1-CB 4.33Å; F491-A589 HydrophobicContact CE2-CB 3.74Å; F491-A589 HydrophobicContact CZ-CB 3.79Å; Y507-A589 HydrophobicContact CE2-CB 4.33Å; L556-A589 HydrophobicContact CD2-CB 4.42Å; V558-A589 HydrophobicContact CG1-CB 4.15Å; V558-A589 HydrophobicContact CG2-CB 4.21Å; D585-A589 WeakPolarHBondContact O-CB 3.48Å; D585-A589 PolarHBondContact O-N 2.76Å; V586-A589 PolarHBondContact O-N 2.72Å; Q587-A589 PolarHBondContact O-N 2.88Å; A589-S592 PolarHBondContact O-OG 3.31Å
590	V	97.8	Very high	93.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-51	177.3	175.9	0	0	0	0	111.2	L525 V527 L556 V586 Q587 A588 S592 V593 L594 V603 F625	L525-V590 HydrophobicContact CD2-CG1 4.21Å; V527-V590 HydrophobicContact CB-CG2 4.07Å; V527-V590 HydrophobicContact CG1-CG2 3.45Å; V527-V590 VanDerWaalsContact CG1-CG2 3.45Å; V527-V590 HydrophobicContact CG2-CB 4.46Å; V527-V590 HydrophobicContact CG2-CG1 4.13Å; V527-V590 HydrophobicContact CG2-CG2 3.44Å; V527-V590 VanDerWaalsContact CG2-CG2 3.44Å; L556-V590 HydrophobicContact CD2-CG2 3.97Å; V586-V590 HydrophobicContact CG1-CG2 4.42Å; V586-V590 VanDerWaalsContact O-CG2 3.26Å; V586-V590 WeakPolarHBondContact O-CG2 3.2Å; V586-V590 PolarHBondContact O-N 3.3Å; Q587-V590 PolarHBondContact O-N 2.79Å; A588-V590 VanDerWaalsContact C-N 3.31Å; A588-V590 PolarHBondContact O-N 2.92Å; V590-S592 PolarHBondContact O-N 3.09Å; V590-V593 WeakPolarHBondContact O-CG2 3.41Å; V590-V593 PolarHBondContact O-N 3.46Å; V590-V593 VanDerWaalsContact O-N 3.11Å; V590-L594 HydrophobicContact CG1-CD1 3.78Å; V590-L594 HydrophobicContact CG1-CG 4.14Å; V590-L594 WeakPolarHBondContact O-CG 3.22Å; V590-L594 PolarHBondContact O-N 2.96Å; V590-V603 HydrophobicContact CG1-CG1 4.23Å; V590-F625 HydrophobicContact CG1-CE1 3.74Å; V590-F625 HydrophobicContact CG1-CZ 3.93Å
591	E	96.3	Very high	93.7	Very high	83 Å²	83	36.3 Å²	36.3	39%	0.388	20%	0.197	S	C	.	.	H	α-helix	trans	-59.3	-34.3	-179.3	-72.2	-177.3	165.7	0	0	112.6	Q587 A588 V593 L594 F625	Q587-E591 HydrophobicContact CG-CG 4.44Å; Q587-E591 PolarHBondContact NE2-OE1 2.81Å; Q587-E591 WeakPolarHBondContact O-CG 3.34Å; Q587-E591 PolarHBondContact O-N 3.36Å; A588-E591 PolarHBondContact O-N 2.87Å; E591-V593 PolarHBondContact O-N 3.02Å; E591-L594 PolarHBondContact O-N 3.38Å; E591-F625 HydrophobicContact CG-CE2 4.3Å; E591-F625 HydrophobicContact CG-CZ 4.18Å
592	S	94.7	Very high	93.7	Very high	68 Å²	68	39 Å²	39	48%	0.476	21%	0.209	S	C	.	.	H	α-helix	trans	-62	-23.4	178.7	80.6	0	0	0	0	114.6	F491 A588 A589 V590	F491-S592 WeakPolarHBondContact CE1-OG 3.31Å; A588-S592 WeakPolarHBondContact O-CB 3.3Å; A588-S592 PolarHBondContact O-N 2.83Å; A589-S592 PolarHBondContact O-OG 3.31Å; V590-S592 PolarHBondContact O-N 3.09Å
593	V	94.1	Very high	93.7	Very high	8 Å²	8	39 Å²	39	5%	0.048	21%	0.209	C	C	.	.	H	α-helix	trans	-102.8	-21.4	-176.9	-58.3	0	0	0	0	113.7	L511 L525 L556 V590 E591 D595 A596 F598	L511-V593 HydrophobicContact CD2-CG1 4.35Å; L525-V593 HydrophobicContact CD2-CG2 3.77Å; L556-V593 HydrophobicContact CD1-CG1 4.49Å; L556-V593 HydrophobicContact CD2-CG2 4.16Å; V590-V593 WeakPolarHBondContact O-CG2 3.41Å; V590-V593 PolarHBondContact O-N 3.46Å; V590-V593 VanDerWaalsContact O-N 3.11Å; E591-V593 PolarHBondContact O-N 3.02Å; V593-D595 VanDerWaalsContact C-N 3.32Å; V593-D595 PolarHBondContact O-N 3.47Å; V593-A596 PolarHBondContact O-N 2.86Å; V593-F598 HydrophobicContact CB-CD2 3.86Å; V593-F598 HydrophobicContact CB-CE2 4.04Å; V593-F598 HydrophobicContact CG2-CD2 3.88Å; V593-F598 HydrophobicContact CG2-CE2 4.27Å; V593-F598 WeakPolarHBondContact O-CD2 3.43Å
594	L	90.8	Very high	93.7	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-67.4	-22.2	-169.3	-73.7	175.5	0	0	0	115.5	K522 L525 V590 E591 F598 R600 V603 F625	K522-L594 PolarHBondContact NZ-O 3.15Å; L525-L594 HydrophobicContact CD2-CD2 3.78Å; V590-L594 HydrophobicContact CG1-CD1 3.78Å; V590-L594 HydrophobicContact CG1-CG 4.14Å; V590-L594 WeakPolarHBondContact O-CG 3.22Å; V590-L594 PolarHBondContact O-N 2.96Å; E591-L594 PolarHBondContact O-N 3.38Å; L594-F598 HydrophobicContact CD2-CB 3.94Å; L594-R600 HydrophobicContact CD1-CG 4.25Å; L594-V603 HydrophobicContact CD1-CG2 4.15Å; L594-V603 HydrophobicContact CD2-CG2 3.51Å; L594-V603 HydrophobicContact CG-CG2 4.49Å; L594-F625 HydrophobicContact CD1-CE1 4.15Å; L594-F625 HydrophobicContact CD1-CE2 4.19Å; L594-F625 HydrophobicContact CD1-CZ 3.42Å; L594-F625 VanDerWaalsContact CD1-CZ 3.42Å
595	D	74	Confident	93.7	Very high	109 Å²	109	36.6 Å²	36.6	58%	0.583	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-20.1	-176.1	-67.8	-33.4	0	0	0	113.4	K522 V593 R600	K522-D595 PolarHBondContact NZ-O 2.74Å; K522-D595 VanDerWaalsContact NZ-O 3.14Å; V593-D595 VanDerWaalsContact C-N 3.32Å; V593-D595 PolarHBondContact O-N 3.47Å; D595-R600 IonicContact OD1-NH1 3.57Å; D595-R600 IonicContact OD2-NH1 3.72Å
596	A	73.3	Confident	93.7	Very high	81 Å²	81	37.3 Å²	37.3	67%	0.669	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-54.6	-177.4	0	0	0	0	0	113.4	V593	V593-A596 PolarHBondContact O-N 2.86Å
597	E	84.1	Confident	93.7	Very high	66 Å²	66	37.6 Å²	37.6	31%	0.308	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.2	-9.8	-165.5	-57	-169.2	97.7	0	0	114	K513 K522 L523	K513-E597 IonicContact NZ-OE1 3.61Å; K513-E597 PolarHBondContact NZ-OE1 3.3Å; K513-E597 IonicContact NZ-OE2 3.46Å; K513-E597 PolarHBondContact NZ-OE2 2.87Å; K522-E597 WeakPolarHBondContact CA-O 3.42Å; L523-E597 PolarHBondContact N-O 2.87Å
598	F	94.5	Very high	93.7	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	156.2	-172.1	-57.8	-70.6	0	0	0	112.7	L511 K522 L523 L525 V593 L594	L511-F598 HydrophobicContact CD1-CE2 3.95Å; L511-F598 HydrophobicContact CD1-CZ 3.77Å; L511-F598 HydrophobicContact CD2-CE2 4.03Å; L511-F598 HydrophobicContact CD2-CZ 4.28Å; L511-F598 HydrophobicContact CG-CZ 4.46Å; K522-F598 WeakPolarHBondContact CD-O 3.09Å; L523-F598 HydrophobicContact CB-CD1 3.74Å; L523-F598 HydrophobicContact CB-CE1 3.94Å; L523-F598 HydrophobicContact CD1-CE1 4.01Å; L523-F598 CarbonylContact O-C 3.59Å; L523-F598 WeakPolarHBondContact O-CA 3.47Å; L525-F598 HydrophobicContact CB-CB 4.2Å; L525-F598 HydrophobicContact CB-CD1 4.16Å; L525-F598 HydrophobicContact CB-CG 4.23Å; L525-F598 HydrophobicContact CD1-CD1 3.95Å; L525-F598 HydrophobicContact CD1-CD2 4.35Å; L525-F598 HydrophobicContact CD1-CE1 4.13Å; L525-F598 HydrophobicContact CD1-CE2 4.48Å; L525-F598 HydrophobicContact CD1-CG 4.12Å; L525-F598 HydrophobicContact CD1-CZ 4.39Å; L525-F598 HydrophobicContact CD2-CG 4.48Å; V593-F598 HydrophobicContact CB-CD2 3.86Å; V593-F598 HydrophobicContact CB-CE2 4.04Å; V593-F598 HydrophobicContact CG2-CD2 3.88Å; V593-F598 HydrophobicContact CG2-CE2 4.27Å; V593-F598 WeakPolarHBondContact O-CD2 3.43Å; L594-F598 HydrophobicContact CD2-CB 3.94Å
599	D	93.6	Very high	93.7	Very high	39 Å²	39	37.1 Å²	37.1	21%	0.209	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	114.1	-179.6	-175.5	-10.1	0	0	0	109.8	K522 L523 E601 K602	K522-D599 HydrophobicContact CB-CB 3.98Å; L523-D599 PolarHBondContact O-N 2.86Å; D599-E601 PolarHBondContact O-N 3.19Å; D599-E601 PolarHBondContact OD1-N 2.8Å; D599-K602 HydrophobicContact CB-CB 4.1Å; D599-K602 HydrophobicContact CB-CD 4.38Å; D599-K602 HydrophobicContact CB-CG 4.31Å; D599-K602 CarbonylContact O-C 3.56Å; D599-K602 PolarHBondContact O-N 2.62Å; D599-K602 VanDerWaalsContact OD2-CD 3.3Å; D599-K602 WeakPolarHBondContact OD2-CD 3.19Å; D599-K602 WeakPolarHBondContact OD2-CE 3.29Å; D599-K602 WeakPolarHBondContact OD2-CG 3.31Å; D599-K602 IonicContact OD2-NZ 3.12Å
600	R	95.2	Very high	93.8	Very high	101 Å²	101	37.1 Å²	37.1	38%	0.381	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	-26.3	179.6	-171.8	174.1	-150.9	128.2	1.6	113.1	L594 D595 K602	L594-R600 HydrophobicContact CD1-CG 4.25Å; D595-R600 IonicContact OD1-NH1 3.57Å; D595-R600 IonicContact OD2-NH1 3.72Å; R600-K602 VanDerWaalsContact C-N 3.3Å
601	E	95.5	Very high	93.8	Very high	117 Å²	117	37.1 Å²	37.1	55%	0.547	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-1.7	177.2	-64	-53.2	133.8	0	0	112.9	D599 K627	D599-E601 PolarHBondContact O-N 3.19Å; D599-E601 PolarHBondContact OD1-N 2.8Å; E601-K627 WeakPolarHBondContact O-CE 3.25Å; E601-K627 VanDerWaalsContact O-CG 3.23Å; E601-K627 WeakPolarHBondContact O-CG 3.18Å; E601-K627 VanDerWaalsContact OE2-CE 3.28Å; E601-K627 WeakPolarHBondContact OE2-CE 3.23Å; E601-K627 IonicContact OE2-NZ 3.08Å; E601-K627 PolarHBondContact OE2-NZ 2.93Å
602	K	97.2	Very high	93.9	Very high	64 Å²	64	33.1 Å²	33.1	28%	0.278	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	56	-177.6	-59.2	-176.4	-178.4	174.6	0	112.5	P524 L525 D599 R600 L752 L754	P524-K602 WeakPolarHBondContact CA-O 3.49Å; P524-K602 HydrophobicContact CB-CB 3.83Å; P524-K602 HydrophobicContact CB-CD 4.41Å; L525-K602 PolarHBondContact N-O 3.41Å; D599-K602 HydrophobicContact CB-CB 4.1Å; D599-K602 HydrophobicContact CB-CD 4.38Å; D599-K602 HydrophobicContact CB-CG 4.31Å; D599-K602 CarbonylContact O-C 3.56Å; D599-K602 PolarHBondContact O-N 2.62Å; D599-K602 VanDerWaalsContact OD2-CD 3.3Å; D599-K602 WeakPolarHBondContact OD2-CD 3.19Å; D599-K602 WeakPolarHBondContact OD2-CE 3.29Å; D599-K602 WeakPolarHBondContact OD2-CG 3.31Å; D599-K602 IonicContact OD2-NZ 3.12Å; R600-K602 VanDerWaalsContact C-N 3.3Å; K602-L752 HydrophobicContact CB-CD1 4.34Å; K602-L754 HydrophobicContact CD-CD2 3.9Å
603	V	98.7	Very high	94.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	125	177.9	-168.6	0	0	0	0	110.2	L525 V527 V590 L594 F625 Y626 K627	L525-V603 HydrophobicContact CD2-CG1 4.45Å; L525-V603 WeakPolarHBondContact O-CA 3.47Å; V527-V603 HydrophobicContact CG2-CG1 3.89Å; V590-V603 HydrophobicContact CG1-CG1 4.23Å; L594-V603 HydrophobicContact CD1-CG2 4.15Å; L594-V603 HydrophobicContact CD2-CG2 3.51Å; L594-V603 HydrophobicContact CG-CG2 4.49Å; V603-F625 HydrophobicContact CG1-CE1 4.31Å; V603-Y626 HydrophobicContact CG1-CD1 3.8Å; V603-Y626 HydrophobicContact CG1-CE1 3.9Å; V603-Y626 CarbonylContact O-C 3.52Å; V603-Y626 WeakPolarHBondContact O-CA 3.48Å; V603-K627 PolarHBondContact O-N 3.35Å
604	A	98.9	Very high	94.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	150.3	170.6	0	0	0	0	0	110.5	L525 I526 V527 A628 I748 L752	L525-A604 PolarHBondContact O-N 2.88Å; I526-A604 WeakPolarHBondContact CA-O 3.05Å; I526-A604 HydrophobicContact CG1-CB 4.44Å; V527-A604 PolarHBondContact N-O 2.83Å; A604-A628 WeakPolarHBondContact CA-O 3.5Å; A604-A628 HydrophobicContact CB-CB 4.04Å; A604-I748 HydrophobicContact CB-CD1 4.2Å; A604-I748 HydrophobicContact CB-CG1 4.03Å; A604-I748 HydrophobicContact CB-CG2 3.84Å; A604-L752 HydrophobicContact CB-CD1 4.37Å; A604-L752 HydrophobicContact CB-CD2 4.27Å
605	I	98.9	Very high	94.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.8	173.5	-174	69.3	0	0	0	108.8	V527 P529 A615 L618 I619 Y626 A628 C629 V630	V527-I605 HydrophobicContact CB-CD1 3.62Å; V527-I605 HydrophobicContact CG1-CD1 3.6Å; P529-I605 HydrophobicContact CG-CD1 4.05Å; I605-A615 HydrophobicContact CG1-CB 3.77Å; I605-A615 HydrophobicContact CG2-CB 4.37Å; I605-L618 HydrophobicContact CD1-CD1 3.68Å; I605-L618 HydrophobicContact CG1-CD1 4.03Å; I605-I619 HydrophobicContact CG2-CG2 3.86Å; I605-Y626 HydrophobicContact CB-CD1 3.6Å; I605-Y626 HydrophobicContact CB-CE1 3.97Å; I605-Y626 HydrophobicContact CB-CG 4.12Å; I605-Y626 HydrophobicContact CD1-CE1 4.32Å; I605-Y626 HydrophobicContact CG1-CE1 4.5Å; I605-Y626 HydrophobicContact CG2-CD1 3.96Å; I605-Y626 HydrophobicContact CG2-CG 3.96Å; I605-A628 PolarHBondContact N-O 3.19Å; I605-C629 HydrophobicContact CG2-CB 3.84Å; I605-C629 CarbonylContact O-C 3.49Å; I605-C629 WeakPolarHBondContact O-CA 3.26Å; I605-V630 PolarHBondContact O-N 2.98Å
606	S	98.7	Very high	95.9	Very high	16 Å²	16	24.3 Å²	24.3	11%	0.112	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	132.6	175.7	172.2	0	0	0	0	109.9	V527 L528 V630	V527-S606 PolarHBondContact O-N 2.76Å; L528-S606 WeakPolarHBondContact CA-O 2.77Å; L528-S606 VanDerWaalsContact CD2-CB 3.44Å; L528-S606 WeakPolarHBondContact CD2-O 3.47Å; S606-V630 VanDerWaalsContact CA-O 3.3Å; S606-V630 WeakPolarHBondContact CA-O 3.37Å
607	G	98.3	Very high	97.2	Very high	7 Å²	7	20.5 Å²	20.5	7%	0.072	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	160.6	-179.2	0	0	0	0	0	111.6	V630 A631 R632	G607-V630 PolarHBondContact N-O 3.14Å; G607-A631 WeakPolarHBondContact O-CA 3.28Å; G607-R632 PolarHBondContact O-N 3.46Å
608	G	98.1	Very high	97.9	Very high	5 Å²	5	17.4 Å²	17.4	5%	0.052	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	157.4	175	0	0	0	0	0	113.8	G531 H610 G611 G612 R632	G531-G608 WeakPolarHBondContact CA-O 3.36Å; G608-H610 PolarHBondContact O-N 3.31Å; G608-G611 WeakPolarHBondContact O-CA 3.33Å; G608-G611 PolarHBondContact O-N 2.68Å; G608-G612 PolarHBondContact O-N 3.48Å; G608-R632 CarbonylContact C-O 3.56Å; G608-R632 WeakPolarHBondContact CA-O 3.46Å
609	S	98.1	Very high	98.1	Very high	14 Å²	14	17.3 Å²	17.3	10%	0.098	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.2	-125.8	-171.6	-167.2	0	0	0	0	110.3	G611 G612 F613 R632 N633 V635 H729	S609-G611 PolarHBondContact O-N 3.48Å; S609-G612 WeakPolarHBondContact O-CA 3.4Å; S609-G612 PolarHBondContact O-N 2.89Å; S609-F613 PolarHBondContact O-N 2.99Å; S609-R632 PolarHBondContact N-O 3.19Å; S609-N633 VanDerWaalsContact CA-O 3.31Å; S609-N633 WeakPolarHBondContact CA-O 3.47Å; S609-N633 PolarHBondContact N-O 3.4Å; S609-V635 PolarHBondContact O-N 2.87Å; S609-H729 VanDerWaalsContact CB-NE2 3.3Å; S609-H729 WeakPolarHBondContact CB-NE2 3.48Å; S609-H729 PolarHBondContact OG-NE2 2.78Å; S609-H729 VanDerWaalsContact OG-NE2 3.15Å
610	H	98.7	Very high	98.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-58.2	-31	170	-165.6	82.7	0	0	0	114	P533 Y560 D582 G608 G612 F613 L614 W650	P533-H610 HydrophobicContact CB-CB 4.4Å; Y560-H610 AromaticContact CZ-CD2 3.87Å; Y560-H610 PolarHBondContact OH-CD2 3.36Å; Y560-H610 VanDerWaalsContact OH-CD2 3.27Å; D582-H610 IonicContact OD2-CD2 3.86Å; D582-H610 IonicContact OD2-CE1 2.83Å; D582-H610 PolarHBondContact OD2-CE1 3.31Å; D582-H610 IonicContact OD2-NE2 3.93Å; D582-H610 PolarHBondContact OD2-NE2 3.47Å; G608-H610 PolarHBondContact O-N 3.31Å; H610-G612 PolarHBondContact O-N 2.86Å; H610-F613 AromaticContact CE1-CD1 3.42Å; H610-F613 VanDerWaalsContact CE1-CD1 3.42Å; H610-F613 WeakPolarHBondContact CE1-CD1 3.45Å; H610-F613 AromaticContact CE1-CE1 3.59Å; H610-F613 AromaticContact ND1-CD1 3.81Å; H610-F613 AromaticContact NE2-CD1 3.82Å; H610-F613 WeakPolarHBondContact O-CA 3.4Å; H610-F613 VanDerWaalsContact O-CB 3.24Å; H610-F613 WeakPolarHBondContact O-CB 3.36Å; H610-F613 PolarHBondContact O-N 2.9Å; H610-F613 VanDerWaalsContact O-N 3.12Å; H610-L614 PolarHBondContact O-N 3.07Å; H610-W650 HydrophobicContact CB-CZ2 4.37Å; H610-W650 AromaticContact ND1-CH2 3.86Å; H610-W650 AromaticContact ND1-CZ2 3.57Å
611	G	98.7	Very high	98.5	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65.9	-29.7	172.6	0	0	0	0	0	111.6	H530 G608 S609 A615	H530-G611 VanDerWaalsContact O-CA 3.24Å; H530-G611 WeakPolarHBondContact O-CA 3.31Å; H530-G611 PolarHBondContact O-N 3.33Å; G608-G611 WeakPolarHBondContact O-CA 3.33Å; G608-G611 PolarHBondContact O-N 2.68Å; S609-G611 PolarHBondContact O-N 3.48Å; G611-A615 WeakPolarHBondContact O-CB 3.32Å; G611-A615 PolarHBondContact O-N 3.04Å
612	G	98.8	Very high	98.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-73.1	-36.2	171	0	0	0	0	0	112.3	G608 S609 H610 L614 A615 C616	G608-G612 PolarHBondContact O-N 3.48Å; S609-G612 WeakPolarHBondContact O-CA 3.4Å; S609-G612 PolarHBondContact O-N 2.89Å; H610-G612 PolarHBondContact O-N 2.86Å; G612-L614 VanDerWaalsContact C-N 3.34Å; G612-A615 PolarHBondContact O-N 2.84Å; G612-C616 WeakPolarHBondContact O-CB 3.32Å; G612-C616 PolarHBondContact O-N 2.73Å; G612-C616 PolarHBondContact O-SG 3.32Å
613	F	98.9	Very high	98.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-58.6	-46.1	169.3	170.1	-86.2	0	0	0	111.3	V578 S609 H610 C616 H617 V635 L638 K676 P678	V578-F613 HydrophobicContact CB-CE1 4.12Å; V578-F613 HydrophobicContact CB-CZ 4.13Å; V578-F613 HydrophobicContact CG2-CZ 4.16Å; S609-F613 PolarHBondContact O-N 2.99Å; H610-F613 AromaticContact CE1-CD1 3.42Å; H610-F613 VanDerWaalsContact CE1-CD1 3.42Å; H610-F613 WeakPolarHBondContact CE1-CD1 3.45Å; H610-F613 AromaticContact CE1-CE1 3.59Å; H610-F613 AromaticContact ND1-CD1 3.81Å; H610-F613 AromaticContact NE2-CD1 3.82Å; H610-F613 WeakPolarHBondContact O-CA 3.4Å; H610-F613 VanDerWaalsContact O-CB 3.24Å; H610-F613 WeakPolarHBondContact O-CB 3.36Å; H610-F613 PolarHBondContact O-N 2.9Å; H610-F613 VanDerWaalsContact O-N 3.12Å; F613-C616 PolarHBondContact O-N 2.67Å; F613-H617 AromaticContact CD1-CD2 3.6Å; F613-H617 AromaticContact CE1-CD2 3.32Å; F613-H617 WeakPolarHBondContact CE1-CD2 3.41Å; F613-H617 AromaticContact CE1-NE2 3.51Å; F613-H617 AromaticContact CE2-CD2 3.93Å; F613-H617 AromaticContact CE2-NE2 3.57Å; F613-H617 AromaticContact CZ-CD2 3.5Å; F613-H617 AromaticContact CZ-NE2 3.17Å; F613-H617 WeakPolarHBondContact CZ-NE2 3.34Å; F613-H617 WeakPolarHBondContact O-CB 3.41Å; F613-H617 PolarHBondContact O-CD2 2.65Å; F613-H617 PolarHBondContact O-N 2.85Å; F613-V635 VanDerWaalsContact CA-O 3.27Å; F613-V635 WeakPolarHBondContact CA-O 3Å; F613-V635 HydrophobicContact CB-CB 4.07Å; F613-V635 WeakPolarHBondContact CB-O 3.46Å; F613-V635 HydrophobicContact CD2-CB 4.34Å; F613-V635 HydrophobicContact CD2-CG1 4.04Å; F613-L638 HydrophobicContact CE2-CD1 4.5Å; F613-L638 HydrophobicContact CE2-CG 4.43Å; F613-K676 WeakPolarHBondContact CE2-O 3.23Å; F613-K676 WeakPolarHBondContact CZ-O 3.46Å; F613-P678 HydrophobicContact CD2-CG 3.97Å; F613-P678 VanDerWaalsContact CE2-CD 3.41Å; F613-P678 HydrophobicContact CE2-CG 4.47Å; F613-P678 HydrophobicContact CG-CG 4.47Å
614	L	98.9	Very high	98.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.8	-45.7	173.7	-73.8	174.6	0	0	0	112.3	P529 Y560 D582 V583 V586 H610 G612 C616 H617 L618	P529-L614 HydrophobicContact CB-CB 4.34Å; P529-L614 HydrophobicContact CB-CD1 3.71Å; P529-L614 HydrophobicContact CG-CB 4.01Å; P529-L614 HydrophobicContact CG-CD1 4.3Å; Y560-L614 HydrophobicContact CD1-CD1 3.61Å; Y560-L614 HydrophobicContact CE1-CD1 3.24Å; Y560-L614 HydrophobicContact CG-CD1 4.42Å; D582-L614 HydrophobicContact CB-CD2 3.84Å; D582-L614 VanDerWaalsContact CG-CD2 3.47Å; D582-L614 WeakPolarHBondContact OD2-CD2 3.25Å; V583-L614 HydrophobicContact CB-CD2 4.46Å; V583-L614 HydrophobicContact CG2-CD2 3.62Å; V586-L614 HydrophobicContact CG2-CD1 4.28Å; H610-L614 PolarHBondContact O-N 3.07Å; G612-L614 VanDerWaalsContact C-N 3.34Å; L614-C616 VanDerWaalsContact C-N 3.32Å; L614-C616 PolarHBondContact O-N 3.16Å; L614-H617 PolarHBondContact O-N 2.68Å; L614-L618 WeakPolarHBondContact O-CB 3.48Å; L614-L618 WeakPolarHBondContact O-CD1 3.43Å; L614-L618 VanDerWaalsContact O-CG 3.25Å; L614-L618 WeakPolarHBondContact O-CG 3.31Å; L614-L618 PolarHBondContact O-N 2.78Å
615	A	98.9	Very high	98.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-59.2	-43.1	177.4	0	0	0	0	0	112.1	I605 G611 G612 I619	I605-A615 HydrophobicContact CG1-CB 3.77Å; I605-A615 HydrophobicContact CG2-CB 4.37Å; G611-A615 WeakPolarHBondContact O-CB 3.32Å; G611-A615 PolarHBondContact O-N 3.04Å; G612-A615 PolarHBondContact O-N 2.84Å; A615-I619 WeakPolarHBondContact O-CG1 3.41Å; A615-I619 PolarHBondContact O-N 2.86Å
616	C	98.9	Very high	98.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-67.8	-39.5	176.4	-69.4	0	0	0	0	112.5	G612 F613 L614 I619 G620 P678 Y708	G612-C616 WeakPolarHBondContact O-CB 3.32Å; G612-C616 PolarHBondContact O-N 2.73Å; G612-C616 PolarHBondContact O-SG 3.32Å; F613-C616 PolarHBondContact O-N 2.67Å; L614-C616 VanDerWaalsContact C-N 3.32Å; L614-C616 PolarHBondContact O-N 3.16Å; C616-I619 VanDerWaalsContact O-CG1 3.24Å; C616-I619 WeakPolarHBondContact O-CG1 3.48Å; C616-G620 PolarHBondContact O-N 3.37Å; C616-P678 HydrophobicContact CB-CB 3.62Å; C616-P678 HydrophobicContact CB-CG 3.85Å; C616-Y708 HydrophobicContact CB-CE1 4.32Å; C616-Y708 HydrophobicContact CB-CE2 4.32Å; C616-Y708 VanDerWaalsContact SG-CE1 3.55Å
617	H	98.9	Very high	98.5	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-63.5	-49.2	173.6	-93.1	-61.8	0	0	0	111.8	G579 V583 F613 L614 I619 G620 Q621 K676 P678 Y681	G579-H617 WeakPolarHBondContact CA-NE2 3.12Å; V583-H617 HydrophobicContact CG1-CB 4.48Å; V583-H617 HydrophobicContact CG2-CB 3.56Å; F613-H617 AromaticContact CD1-CD2 3.6Å; F613-H617 AromaticContact CE1-CD2 3.32Å; F613-H617 WeakPolarHBondContact CE1-CD2 3.41Å; F613-H617 AromaticContact CE1-NE2 3.51Å; F613-H617 AromaticContact CE2-CD2 3.93Å; F613-H617 AromaticContact CE2-NE2 3.57Å; F613-H617 AromaticContact CZ-CD2 3.5Å; F613-H617 AromaticContact CZ-NE2 3.17Å; F613-H617 WeakPolarHBondContact CZ-NE2 3.34Å; F613-H617 WeakPolarHBondContact O-CB 3.41Å; F613-H617 PolarHBondContact O-CD2 2.65Å; F613-H617 PolarHBondContact O-N 2.85Å; L614-H617 PolarHBondContact O-N 2.68Å; H617-I619 VanDerWaalsContact C-N 3.32Å; H617-I619 PolarHBondContact O-N 2.98Å; H617-G620 CarbonylContact O-C 3.53Å; H617-G620 PolarHBondContact O-N 3.07Å; H617-Q621 PolarHBondContact ND1-NE2 2.8Å; H617-Q621 WeakPolarHBondContact O-CB 3.49Å; H617-Q621 WeakPolarHBondContact O-CG 3.5Å; H617-Q621 PolarHBondContact O-N 3.23Å; H617-K676 PolarHBondContact CE1-O 3.33Å; H617-K676 VanDerWaalsContact CE1-O 3.28Å; H617-K676 PolarHBondContact NE2-O 2.82Å; H617-P678 HydrophobicContact CB-CB 4.31Å; H617-P678 VanDerWaalsContact CE1-CA 3.47Å; H617-P678 WeakPolarHBondContact CE1-CA 3.34Å; H617-P678 WeakPolarHBondContact NE2-CD 3.36Å; H617-Y681 AromaticContact CE1-CD2 3.81Å; H617-Y681 AromaticContact CE1-CE2 3.65Å; H617-Y681 AromaticContact ND1-CD2 3.48Å; H617-Y681 WeakPolarHBondContact ND1-CD2 3.1Å; H617-Y681 AromaticContact ND1-CE2 3.58Å
618	L	98.9	Very high	98.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.2	-42.1	-177	-76.8	164.2	0	0	0	112.1	V583 V586 Q587 I605 L614 G620 Y622 Y626	V583-L618 HydrophobicContact CG1-CD2 3.84Å; V583-L618 HydrophobicContact CG1-CG 4.28Å; V586-L618 HydrophobicContact CB-CD1 4.14Å; V586-L618 HydrophobicContact CG1-CD1 3.55Å; V586-L618 HydrophobicContact CG1-CD2 4.5Å; Q587-L618 HydrophobicContact CB-CD2 4.19Å; I605-L618 HydrophobicContact CD1-CD1 3.68Å; I605-L618 HydrophobicContact CG1-CD1 4.03Å; L614-L618 WeakPolarHBondContact O-CB 3.48Å; L614-L618 WeakPolarHBondContact O-CD1 3.43Å; L614-L618 VanDerWaalsContact O-CG 3.25Å; L614-L618 WeakPolarHBondContact O-CG 3.31Å; L614-L618 PolarHBondContact O-N 2.78Å; L618-G620 VanDerWaalsContact C-N 3.32Å; L618-G620 PolarHBondContact O-N 3.06Å; L618-Y622 HydrophobicContact CD2-CD2 3.99Å; L618-Y622 HydrophobicContact CD2-CE2 4.06Å; L618-Y622 WeakPolarHBondContact O-CB 3.26Å; L618-Y622 PolarHBondContact O-N 2.83Å; L618-Y626 HydrophobicContact CB-CD2 4.15Å; L618-Y626 HydrophobicContact CB-CE2 3.68Å; L618-Y626 HydrophobicContact CD2-CE2 4.08Å; L618-Y626 HydrophobicContact CG-CE2 4.33Å
619	I	98.9	Very high	98.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-72.3	-23	176.8	64.2	172.8	0	0	0	114.3	I605 A615 C616 H617 C629 V685 T687 V689	I605-I619 HydrophobicContact CG2-CG2 3.86Å; A615-I619 WeakPolarHBondContact O-CG1 3.41Å; A615-I619 PolarHBondContact O-N 2.86Å; C616-I619 VanDerWaalsContact O-CG1 3.24Å; C616-I619 WeakPolarHBondContact O-CG1 3.48Å; H617-I619 VanDerWaalsContact C-N 3.32Å; H617-I619 PolarHBondContact O-N 2.98Å; I619-C629 HydrophobicContact CD1-CB 4.06Å; I619-C629 HydrophobicContact CG2-CB 3.76Å; I619-V685 HydrophobicContact CD1-CG1 3.81Å; I619-V685 HydrophobicContact CD1-CG2 4.3Å; I619-V685 HydrophobicContact CG1-CG1 4.26Å; I619-V685 HydrophobicContact CG1-CG2 4.1Å; I619-T687 HydrophobicContact CG2-CG2 3.95Å; I619-V689 HydrophobicContact CD1-CG2 3.61Å
620	G	98.7	Very high	98.6	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.01	8%	0.077	C	C	.	.	H	α-helix	trans	-86.6	-38.8	176.8	0	0	0	0	0	112.9	C616 H617 L618 Q684	C616-G620 PolarHBondContact O-N 3.37Å; H617-G620 CarbonylContact O-C 3.53Å; H617-G620 PolarHBondContact O-N 3.07Å; L618-G620 VanDerWaalsContact C-N 3.32Å; L618-G620 PolarHBondContact O-N 3.06Å; G620-Q684 WeakPolarHBondContact O-CB 3.22Å
621	Q	98.8	Very high	98.6	Very high	56 Å²	56	14.6 Å²	14.6	26%	0.262	8%	0.077	S	C	.	.	H	α-helix	trans	-85.3	-29.9	-177.6	-63.5	-169.2	49.9	0	0	112.8	G579 H617 P623 Y681	G579-Q621 PolarHBondContact O-NE2 3.26Å; H617-Q621 PolarHBondContact ND1-NE2 2.8Å; H617-Q621 WeakPolarHBondContact O-CB 3.49Å; H617-Q621 WeakPolarHBondContact O-CG 3.5Å; H617-Q621 PolarHBondContact O-N 3.23Å; Q621-P623 WeakPolarHBondContact O-CD 3.34Å; Q621-Y681 HydrophobicContact CG-CD1 3.88Å; Q621-Y681 HydrophobicContact CG-CD2 4.11Å; Q621-Y681 HydrophobicContact CG-CE1 3.87Å; Q621-Y681 HydrophobicContact CG-CE2 4.12Å; Q621-Y681 HydrophobicContact CG-CG 3.99Å
622	Y	98.6	Very high	98.6	Very high	70 Å²	70	19 Å²	19	28%	0.275	9%	0.094	S	C	.	.	S	Bend	trans	-116.7	65	175.1	-57.7	-87.3	0	0	0	111.1	V583 Q587 L618 G624 F625	V583-Y622 HydrophobicContact CG1-CE2 3.95Å; Q587-Y622 HydrophobicContact CB-CE1 4.42Å; Q587-Y622 HydrophobicContact CB-CE2 3.87Å; Q587-Y622 HydrophobicContact CG-CD1 4.11Å; Q587-Y622 HydrophobicContact CG-CD2 4.36Å; Q587-Y622 HydrophobicContact CG-CE1 3.64Å; Q587-Y622 HydrophobicContact CG-CE2 3.92Å; Q587-Y622 HydrophobicContact CG-CG 4.45Å; L618-Y622 HydrophobicContact CD2-CD2 3.99Å; L618-Y622 HydrophobicContact CD2-CE2 4.06Å; L618-Y622 WeakPolarHBondContact O-CB 3.26Å; L618-Y622 PolarHBondContact O-N 2.83Å; Y622-G624 PolarHBondContact O-N 2.94Å; Y622-G624 VanDerWaalsContact O-N 3.15Å; Y622-F625 WeakPolarHBondContact O-CB 3.28Å; Y622-F625 PolarHBondContact O-N 2.86Å; Y622-F625 VanDerWaalsContact O-N 3.15Å
623	P	98.1	Very high	98.6	Very high	57 Å²	57	19.1 Å²	19.1	37%	0.37	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	118.9	-169.9	26.4	-36	0	0	0	112.2	Q621 Q684	Q621-P623 WeakPolarHBondContact O-CD 3.34Å; P623-Q684 WeakPolarHBondContact CB-O 3.35Å
624	G	96.4	Very high	98.6	Very high	30 Å²	30	19.1 Å²	19.1	31%	0.309	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.4	-3.6	177.8	0	0	0	0	0	115.6	Y622 K627	Y622-G624 PolarHBondContact O-N 2.94Å; Y622-G624 VanDerWaalsContact O-N 3.15Å; G624-K627 PolarHBondContact O-NZ 2.88Å
625	F	98.4	Very high	98.6	Very high	33 Å²	33	19.2 Å²	19.2	15%	0.145	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-57.7	172.9	-174.4	-85.2	0	0	0	110.7	Q587 V590 E591 L594 V603 Y622	Q587-F625 VanDerWaalsContact NE2-CZ 3.26Å; V590-F625 HydrophobicContact CG1-CE1 3.74Å; V590-F625 HydrophobicContact CG1-CZ 3.93Å; E591-F625 HydrophobicContact CG-CE2 4.3Å; E591-F625 HydrophobicContact CG-CZ 4.18Å; L594-F625 HydrophobicContact CD1-CE1 4.15Å; L594-F625 HydrophobicContact CD1-CE2 4.19Å; L594-F625 HydrophobicContact CD1-CZ 3.42Å; L594-F625 VanDerWaalsContact CD1-CZ 3.42Å; V603-F625 HydrophobicContact CG1-CE1 4.31Å; Y622-F625 WeakPolarHBondContact O-CB 3.28Å; Y622-F625 PolarHBondContact O-N 2.86Å; Y622-F625 VanDerWaalsContact O-N 3.15Å
626	Y	98.8	Very high	98.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.095	C	C	.	.			trans	-81.2	126.3	175.5	-57.3	-84.9	0	0	0	110.1	V527 Q587 V603 I605 L618 T687	V527-Y626 HydrophobicContact CG2-CE1 4.31Å; Q587-Y626 PolarHBondContact OE1-OH 2.86Å; V603-Y626 HydrophobicContact CG1-CD1 3.8Å; V603-Y626 HydrophobicContact CG1-CE1 3.9Å; V603-Y626 CarbonylContact O-C 3.52Å; V603-Y626 WeakPolarHBondContact O-CA 3.48Å; I605-Y626 HydrophobicContact CB-CD1 3.6Å; I605-Y626 HydrophobicContact CB-CE1 3.97Å; I605-Y626 HydrophobicContact CB-CG 4.12Å; I605-Y626 HydrophobicContact CD1-CE1 4.32Å; I605-Y626 HydrophobicContact CG1-CE1 4.5Å; I605-Y626 HydrophobicContact CG2-CD1 3.96Å; I605-Y626 HydrophobicContact CG2-CG 3.96Å; L618-Y626 HydrophobicContact CB-CD2 4.15Å; L618-Y626 HydrophobicContact CB-CE2 3.68Å; L618-Y626 HydrophobicContact CD2-CE2 4.08Å; L618-Y626 HydrophobicContact CG-CE2 4.33Å; Y626-T687 WeakPolarHBondContact O-CB 3.2Å; Y626-T687 WeakPolarHBondContact O-CG2 3.4Å; Y626-T687 PolarHBondContact O-OG1 2.83Å
627	K	98.8	Very high	98.6	Very high	58 Å²	58	19.8 Å²	19.8	25%	0.252	10%	0.098	S	C	.	.	S	Bend	trans	-90	-20	-176.5	-47.3	-54	-177.6	178.6	0	113.4	E601 V603 G624 P688 L752	E601-K627 WeakPolarHBondContact O-CE 3.25Å; E601-K627 VanDerWaalsContact O-CG 3.23Å; E601-K627 WeakPolarHBondContact O-CG 3.18Å; E601-K627 VanDerWaalsContact OE2-CE 3.28Å; E601-K627 WeakPolarHBondContact OE2-CE 3.23Å; E601-K627 IonicContact OE2-NZ 3.08Å; E601-K627 PolarHBondContact OE2-NZ 2.93Å; V603-K627 PolarHBondContact O-N 3.35Å; G624-K627 PolarHBondContact O-NZ 2.88Å; K627-P688 WeakPolarHBondContact O-CD 3.49Å; K627-L752 HydrophobicContact CB-CD2 3.7Å; K627-L752 HydrophobicContact CG-CD2 4.3Å
628	A	98.8	Very high	98.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	142.2	172.9	0	0	0	0	0	110.2	A604 I605 I748 H751 L752	A604-A628 WeakPolarHBondContact CA-O 3.5Å; A604-A628 HydrophobicContact CB-CB 4.04Å; I605-A628 PolarHBondContact N-O 3.19Å; A628-I748 HydrophobicContact CB-CG1 4.42Å; A628-H751 HydrophobicContact CB-CB 3.73Å; A628-L752 HydrophobicContact CB-CD2 4.41Å
629	C	98.9	Very high	98.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	137.9	174.8	177	0	0	0	0	111.2	I605 I619 T687 P688 V689 L690 W747	I605-C629 HydrophobicContact CG2-CB 3.84Å; I605-C629 CarbonylContact O-C 3.49Å; I605-C629 WeakPolarHBondContact O-CA 3.26Å; I619-C629 HydrophobicContact CD1-CB 4.06Å; I619-C629 HydrophobicContact CG2-CB 3.76Å; C629-T687 HydrophobicContact CB-CG2 3.9Å; C629-P688 PolarHBondContact N-O 2.82Å; C629-V689 HydrophobicContact CB-CG2 4.25Å; C629-V689 CarbonylContact O-C 3.59Å; C629-V689 WeakPolarHBondContact O-CA 3.45Å; C629-L690 PolarHBondContact O-N 2.93Å; C629-W747 PolarHBondContact O-NE1 2.91Å
630	V	98.9	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.3	172	176.6	0	0	0	0	108.6	I605 S606 G607 L690 I744 I748	I605-V630 PolarHBondContact O-N 2.98Å; S606-V630 VanDerWaalsContact CA-O 3.3Å; S606-V630 WeakPolarHBondContact CA-O 3.37Å; G607-V630 PolarHBondContact N-O 3.14Å; V630-L690 CarbonylContact C-O 3.53Å; V630-L690 WeakPolarHBondContact CA-O 3.25Å; V630-L690 HydrophobicContact CG1-CD2 4.49Å; V630-L690 HydrophobicContact CG2-CB 4.22Å; V630-L690 HydrophobicContact CG2-CD2 4.37Å; V630-I744 HydrophobicContact CG1-CD1 3.84Å; V630-I744 HydrophobicContact CG1-CG1 3.61Å; V630-I744 HydrophobicContact CG1-CG2 4.38Å; V630-I744 HydrophobicContact CG2-CG1 4.44Å; V630-I744 HydrophobicContact CG2-CG2 4.21Å; V630-I748 HydrophobicContact CG2-CD1 4.38Å; V630-I748 HydrophobicContact CG2-CG1 4.27Å
631	A	98.7	Very high	98.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	109	-177.5	0	0	0	0	0	110.4	G607 P634 L690 L691 T692	G607-A631 WeakPolarHBondContact O-CA 3.28Å; A631-P634 HydrophobicContact CB-CB 3.93Å; A631-P634 HydrophobicContact CB-CG 3.92Å; A631-L690 PolarHBondContact N-O 3.46Å; A631-L691 HydrophobicContact CB-CD2 3.88Å; A631-L691 WeakPolarHBondContact O-CA 3.33Å; A631-T692 PolarHBondContact O-N 3.47Å; A631-T692 VanDerWaalsContact O-N 3.16Å
632	R	98.4	Very high	98.2	Very high	94 Å²	94	21.3 Å²	21.3	36%	0.355	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	119.6	-177.5	-176.5	-171.1	98.9	-113	-0.8	111.6	G607 G608 S609 P634 T692 L731	G607-R632 PolarHBondContact O-N 3.46Å; G608-R632 CarbonylContact C-O 3.56Å; G608-R632 WeakPolarHBondContact CA-O 3.46Å; S609-R632 PolarHBondContact N-O 3.19Å; R632-P634 VanDerWaalsContact C-CD 3.49Å; R632-T692 WeakPolarHBondContact CA-O 3.23Å; R632-T692 VanDerWaalsContact CA-OG1 3.26Å; R632-T692 WeakPolarHBondContact CA-OG1 3.29Å; R632-T692 VanDerWaalsContact CB-OG1 3.31Å; R632-T692 WeakPolarHBondContact CB-OG1 3.26Å; R632-T692 VanDerWaalsContact CG-OG1 3.3Å; R632-T692 WeakPolarHBondContact CG-OG1 3.38Å; R632-L731 HydrophobicContact CG-CD1 3.57Å; R632-L731 HydrophobicContact CG-CG 4.34Å
633	N	98.5	Very high	97.9	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.011	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	40	53.4	-174.8	-66.3	-24.9	0	0	0	112	S609 T692 L693 G694 D697 H729	S609-N633 VanDerWaalsContact CA-O 3.31Å; S609-N633 WeakPolarHBondContact CA-O 3.47Å; S609-N633 PolarHBondContact N-O 3.4Å; N633-T692 PolarHBondContact N-O 2.84Å; N633-T692 PolarHBondContact OD1-O 3.42Å; N633-L693 VanDerWaalsContact OD1-CA 3.22Å; N633-L693 WeakPolarHBondContact OD1-CA 3.44Å; N633-G694 PolarHBondContact OD1-N 3.46Å; N633-D697 WeakPolarHBondContact CB-OD2 3.47Å; N633-D697 PolarHBondContact ND2-OD2 3.18Å; N633-D697 PolarHBondContact OD1-OD2 3.49Å; N633-H729 WeakPolarHBondContact ND2-CA 3.23Å; N633-H729 PolarHBondContact ND2-O 2.82Å
634	P	98.6	Very high	97.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	139.3	-167.8	32.4	-35	0	0	0	111.4	A631 R632 V636 L691 V700	A631-P634 HydrophobicContact CB-CB 3.93Å; A631-P634 HydrophobicContact CB-CG 3.92Å; R632-P634 VanDerWaalsContact C-CD 3.49Å; P634-V636 HydrophobicContact CB-CG1 4.06Å; P634-V636 HydrophobicContact CG-CG1 3.96Å; P634-V636 PolarHBondContact O-N 2.81Å; P634-L691 HydrophobicContact CG-CD2 3.84Å; P634-V700 VanDerWaalsContact O-CG1 3.32Å; P634-V700 WeakPolarHBondContact O-CG1 3.29Å
635	V	98.7	Very high	97.7	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	13%	0.129	C	C	.	.			trans	-71.6	126.8	161.8	177.6	0	0	0	0	107.4	S609 F613 L638 M641 W650 V700	S609-V635 PolarHBondContact O-N 2.87Å; F613-V635 VanDerWaalsContact CA-O 3.27Å; F613-V635 WeakPolarHBondContact CA-O 3Å; F613-V635 HydrophobicContact CB-CB 4.07Å; F613-V635 WeakPolarHBondContact CB-O 3.46Å; F613-V635 HydrophobicContact CD2-CB 4.34Å; F613-V635 HydrophobicContact CD2-CG1 4.04Å; V635-L638 HydrophobicContact CG1-CD2 3.65Å; V635-M641 HydrophobicContact CB-SD 4.43Å; V635-M641 HydrophobicContact CG1-CE 4.27Å; V635-M641 HydrophobicContact CG1-SD 4.03Å; V635-M641 HydrophobicContact CG2-CE 4.12Å; V635-M641 HydrophobicContact CG2-SD 3.87Å; V635-W650 HydrophobicContact CB-CH2 4.3Å; V635-W650 HydrophobicContact CB-CZ3 4.49Å; V635-W650 HydrophobicContact CG1-CH2 3.98Å; V635-W650 HydrophobicContact CG1-CZ3 3.85Å; V635-W650 HydrophobicContact CG2-CH2 3.92Å; V635-W650 HydrophobicContact CG2-CZ3 4.05Å; V635-V700 HydrophobicContact CG2-CB 4.44Å; V635-V700 HydrophobicContact CG2-CG1 3.98Å; V635-V700 HydrophobicContact CG2-CG2 3.51Å
636	V	98.5	Very high	97.7	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.126	C	C	.	.			trans	-125.2	-25.7	-178.7	-56.5	0	0	0	0	114.1	P634 S677 P678 I679 Q704 Y708	P634-V636 HydrophobicContact CB-CG1 4.06Å; P634-V636 HydrophobicContact CG-CG1 3.96Å; P634-V636 PolarHBondContact O-N 2.81Å; V636-S677 WeakPolarHBondContact O-CB 3.41Å; V636-P678 HydrophobicContact CB-CG 4.43Å; V636-P678 WeakPolarHBondContact O-CD 3.3Å; V636-P678 WeakPolarHBondContact O-CG 3.24Å; V636-I679 WeakPolarHBondContact O-CB 3.14Å; V636-I679 PolarHBondContact O-N 3.18Å; V636-I679 VanDerWaalsContact O-N 3.15Å; V636-Q704 HydrophobicContact CG2-CB 4.01Å; V636-Q704 WeakPolarHBondContact CG2-O 3.27Å; V636-Q704 VanDerWaalsContact CG2-OE1 3.26Å; V636-Q704 VanDerWaalsContact N-OE1 3.11Å; V636-Y708 HydrophobicContact CB-CD2 4.04Å; V636-Y708 HydrophobicContact CB-CG 4.37Å; V636-Y708 HydrophobicContact CG1-CD2 4.03Å; V636-Y708 HydrophobicContact CG1-CG 3.95Å
637	N	98.5	Very high	97.6	Very high	13 Å²	13	20.3 Å²	20.3	7%	0.07	13%	0.128	C	C	.	.			trans	-148.4	97.4	-178.4	-174.7	-8.9	0	0	0	110.3	A639 S640 M641 S677 I679 Q704 E707	N637-A639 PolarHBondContact O-N 2.99Å; N637-A639 WeakPolarHBondContact OD1-CB 3.43Å; N637-A639 PolarHBondContact OD1-N 2.86Å; N637-A639 VanDerWaalsContact OD1-N 3.13Å; N637-S640 WeakPolarHBondContact CB-OG 3.41Å; N637-S640 PolarHBondContact ND2-OG 3.07Å; N637-S640 PolarHBondContact O-N 2.68Å; N637-S640 PolarHBondContact O-OG 3.49Å; N637-S640 PolarHBondContact OD1-N 3.18Å; N637-M641 WeakPolarHBondContact O-CB 3.48Å; N637-M641 PolarHBondContact O-N 3.49Å; N637-S677 WeakPolarHBondContact CA-OG 3.2Å; N637-I679 HydrophobicContact CB-CB 4.49Å; N637-I679 HydrophobicContact CB-CG2 3.94Å; N637-Q704 PolarHBondContact O-NE2 2.88Å; N637-Q704 PolarHBondContact O-OE1 3.36Å; N637-E707 PolarHBondContact ND2-OE1 2.83Å
638	L	98.4	Very high	97.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-55.1	-39.9	177.9	-61	179.3	0	0	0	111.7	F613 V635 S640 M641 I642 W650 M673 K676 S677	F613-L638 HydrophobicContact CE2-CD1 4.5Å; F613-L638 HydrophobicContact CE2-CG 4.43Å; V635-L638 HydrophobicContact CG1-CD2 3.65Å; L638-S640 PolarHBondContact O-N 2.93Å; L638-M641 PolarHBondContact O-N 2.8Å; L638-I642 PolarHBondContact O-N 2.83Å; L638-W650 HydrophobicContact CD2-CE3 4.08Å; L638-W650 HydrophobicContact CD2-CH2 3.82Å; L638-W650 HydrophobicContact CD2-CZ3 3.2Å; L638-M673 HydrophobicContact CB-CB 3.75Å; L638-M673 HydrophobicContact CB-CG 4.15Å; L638-K676 HydrophobicContact CD1-CB 4.16Å; L638-S677 PolarHBondContact N-OG 3.41Å
639	A	97.7	Very high	97.4	Very high	19 Å²	19	18.5 Å²	18.5	16%	0.157	12%	0.122	C	C	.	.	H	α-helix	trans	-69	-34.3	-175.9	0	0	0	0	0	112.7	N637 I642 M673 L674	N637-A639 PolarHBondContact O-N 2.99Å; N637-A639 WeakPolarHBondContact OD1-CB 3.43Å; N637-A639 PolarHBondContact OD1-N 2.86Å; N637-A639 VanDerWaalsContact OD1-N 3.13Å; A639-I642 WeakPolarHBondContact O-CG2 3.49Å; A639-M673 HydrophobicContact CB-CB 3.96Å; A639-L674 HydrophobicContact CB-CB 4.07Å
640	S	96.8	Very high	97.3	Very high	49 Å²	49	18.8 Å²	18.8	34%	0.343	12%	0.123	S	C	.	.	H	α-helix	trans	-84.5	-27.1	173.8	70.9	0	0	0	0	112.5	N637 L638 Q704 E707	N637-S640 WeakPolarHBondContact CB-OG 3.41Å; N637-S640 PolarHBondContact ND2-OG 3.07Å; N637-S640 PolarHBondContact O-N 2.68Å; N637-S640 PolarHBondContact O-OG 3.49Å; N637-S640 PolarHBondContact OD1-N 3.18Å; L638-S640 PolarHBondContact O-N 2.93Å; S640-Q704 PolarHBondContact OG-NE2 2.81Å; S640-E707 PolarHBondContact OG-OE2 3.1Å
641	M	97.6	Very high	97.3	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-68.8	-42	-177.2	-169.7	170	88.5	0	0	112.8	V635 N637 L638 G643 S644 T645 W650 C651 V700 Q704	V635-M641 HydrophobicContact CB-SD 4.43Å; V635-M641 HydrophobicContact CG1-CE 4.27Å; V635-M641 HydrophobicContact CG1-SD 4.03Å; V635-M641 HydrophobicContact CG2-CE 4.12Å; V635-M641 HydrophobicContact CG2-SD 3.87Å; N637-M641 WeakPolarHBondContact O-CB 3.48Å; N637-M641 PolarHBondContact O-N 3.49Å; L638-M641 PolarHBondContact O-N 2.8Å; M641-G643 PolarHBondContact O-N 3.24Å; M641-S644 PolarHBondContact O-N 2.85Å; M641-S644 PolarHBondContact O-OG 2.82Å; M641-T645 HydrophobicContact CE-CG2 4.36Å; M641-T645 HydrophobicContact CG-CG2 4.09Å; M641-T645 PolarHBondContact O-N 3.32Å; M641-W650 HydrophobicContact CE-CE3 3.46Å; M641-W650 VanDerWaalsContact CE-CE3 3.46Å; M641-W650 HydrophobicContact CE-CZ3 3.47Å; M641-W650 VanDerWaalsContact CE-CZ3 3.47Å; M641-C651 WeakPolarHBondContact CE-SG 3.34Å; M641-V700 HydrophobicContact SD-CG1 4.13Å; M641-V700 HydrophobicContact SD-CG2 4.31Å; M641-Q704 HydrophobicContact CB-CG 4.4Å; M641-Q704 HydrophobicContact CG-CG 4.27Å; M641-Q704 HydrophobicContact SD-CG 4.34Å
642	I	96.1	Very high	97.2	Very high	21 Å²	21	19 Å²	19	11%	0.108	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-36	-172.3	-169	176.7	0	0	0	113.9	L638 A639 S644 P648 C651 V652 P665 M673	L638-I642 PolarHBondContact O-N 2.83Å; A639-I642 WeakPolarHBondContact O-CG2 3.49Å; I642-S644 VanDerWaalsContact C-N 3.28Å; I642-S644 PolarHBondContact O-N 2.97Å; I642-P648 HydrophobicContact CG1-CB 3.85Å; I642-C651 HydrophobicContact CB-CB 4Å; I642-C651 HydrophobicContact CG1-CB 4.21Å; I642-V652 HydrophobicContact CD1-CG2 3.49Å; I642-V652 VanDerWaalsContact CD1-CG2 3.49Å; I642-P665 HydrophobicContact CD1-CG 3.65Å; I642-M673 HydrophobicContact CD1-CE 4.03Å; I642-M673 HydrophobicContact CD1-SD 4.17Å; I642-M673 HydrophobicContact CG2-CE 4.38Å
643	G	92	Very high	97.2	Very high	77 Å²	77	14.8 Å²	14.8	79%	0.794	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	3.3	-178	0	0	0	0	0	115.7	M641	M641-G643 PolarHBondContact O-N 3.24Å
644	S	94.1	Very high	97.2	Very high	53 Å²	53	14.7 Å²	14.7	37%	0.371	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-145.7	-10.1	-173.6	59.1	0	0	0	0	116.2	M641 I642 P701	M641-S644 PolarHBondContact O-N 2.85Å; M641-S644 PolarHBondContact O-OG 2.82Å; I642-S644 VanDerWaalsContact C-N 3.28Å; I642-S644 PolarHBondContact O-N 2.97Å; S644-P701 VanDerWaalsContact O-CG 3.25Å; S644-P701 WeakPolarHBondContact O-CG 3.49Å
645	T	97.4	Very high	97.1	Very high	14 Å²	14	14.9 Å²	14.9	9%	0.086	11%	0.11	C	C	.	.	S	Bend	trans	-78.9	152.9	175	177.2	0	0	0	0	111	M641 I647 K698 R699	M641-T645 HydrophobicContact CE-CG2 4.36Å; M641-T645 HydrophobicContact CG-CG2 4.09Å; M641-T645 PolarHBondContact O-N 3.32Å; T645-I647 HydrophobicContact CG2-CG1 4.5Å; T645-I647 PolarHBondContact O-N 2.86Å; T645-I647 WeakPolarHBondContact OG1-CG1 3.48Å; T645-I647 PolarHBondContact OG1-N 3.22Å; T645-I647 VanDerWaalsContact OG1-N 3.13Å; T645-K698 WeakPolarHBondContact CA-O 3.16Å; T645-R699 PolarHBondContact OG1-O 3.45Å
646	D	97.1	Very high	97	Very high	18 Å²	18	16.8 Å²	16.8	10%	0.096	13%	0.13	C	C	.	.	S	Bend	trans	-69.3	-8	168.3	72.8	-27.4	0	0	0	113.2	E236 G293 K698 R699	E236-D646 VanDerWaalsContact CB-OD2 3.29Å; E236-D646 WeakPolarHBondContact CB-OD2 3.3Å; E236-D646 PolarHBondContact N-OD2 2.82Å; G293-D646 PolarHBondContact N-O 3.39Å; D646-K698 HydrophobicContact CB-CB 4.46Å; D646-K698 PolarHBondContact N-O 3.18Å; D646-R699 VanDerWaalsContact OD1-CA 3.29Å; D646-R699 WeakPolarHBondContact OD1-CA 3.49Å; D646-R699 IonicContact OD1-CZ 2.77Å; D646-R699 IonicContact OD1-NE 3.61Å; D646-R699 PolarHBondContact OD1-NE 2.88Å; D646-R699 IonicContact OD1-NH2 3.63Å; D646-R699 IonicContact OD2-CZ 3.59Å; D646-R699 IonicContact OD2-NE 2.79Å; D646-R699 IonicContact OD2-NH2 3.63Å; D646-R699 PolarHBondContact OD2-NH2 3.22Å; D646-R699 VanDerWaalsContact OD2-NH2 3.08Å
647	I	97.4	Very high	97	Very high	7 Å²	7	21.1 Å²	21.1	4%	0.036	15%	0.147	C	C	.	.			trans	-129.5	61	-177.5	57.6	163	0	0	0	113.6	T645 D649 W650	T645-I647 HydrophobicContact CG2-CG1 4.5Å; T645-I647 PolarHBondContact O-N 2.86Å; T645-I647 WeakPolarHBondContact OG1-CG1 3.48Å; T645-I647 PolarHBondContact OG1-N 3.22Å; T645-I647 VanDerWaalsContact OG1-N 3.13Å; I647-D649 WeakPolarHBondContact CA-OD1 3.49Å; I647-D649 PolarHBondContact O-N 2.89Å; I647-D649 VanDerWaalsContact O-N 3.13Å; I647-W650 HydrophobicContact CB-CB 4.26Å; I647-W650 HydrophobicContact CD1-CB 3.68Å; I647-W650 HydrophobicContact CD1-CD2 4.47Å; I647-W650 HydrophobicContact CD1-CG 3.86Å; I647-W650 HydrophobicContact CG1-CB 4.1Å; I647-W650 WeakPolarHBondContact O-CB 3.25Å; I647-W650 PolarHBondContact O-N 3.45Å; I647-W650 VanDerWaalsContact O-N 3.07Å
648	P	96.6	Very high	96.7	Very high	19 Å²	19	28.1 Å²	28.1	12%	0.123	18%	0.184	C	C	.	.	H	α-helix	trans	-59	-28.1	-179.8	25.8	-36.3	0	0	0	112.9	F290 L292 I642 W650 C651 Y659	F290-P648 HydrophobicContact CE2-CG 4.33Å; L292-P648 HydrophobicContact CD2-CG 3.69Å; I642-P648 HydrophobicContact CG1-CB 3.85Å; P648-W650 VanDerWaalsContact C-N 3.27Å; P648-W650 PolarHBondContact O-N 3.43Å; P648-C651 PolarHBondContact O-N 3.04Å; P648-Y659 HydrophobicContact CB-CE2 4.48Å
649	D	96.4	Very high	96.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.5	-35.4	177.3	65.2	-52.5	0	0	0	112.7	R300 H348 I647 C651 V652 V653 Y659	R300-D649 IonicContact CZ-OD1 3.67Å; R300-D649 IonicContact CZ-OD2 3.04Å; R300-D649 IonicContact NH1-OD1 2.99Å; R300-D649 IonicContact NH1-OD2 3.33Å; R300-D649 PolarHBondContact NH1-OD2 2.81Å; R300-D649 IonicContact NH2-OD1 2.61Å; R300-D649 PolarHBondContact NH2-OD1 2.98Å; R300-D649 IonicContact NH2-OD2 3.18Å; R300-D649 PolarHBondContact NH2-OD2 2.92Å; H348-D649 IonicContact CD2-OD2 3.72Å; H348-D649 IonicContact CE1-OD1 3.13Å; H348-D649 IonicContact CE1-OD2 3.76Å; H348-D649 VanDerWaalsContact NE2-CG 3.27Å; H348-D649 IonicContact NE2-OD1 3.33Å; H348-D649 PolarHBondContact NE2-OD1 3.13Å; H348-D649 IonicContact NE2-OD2 2.72Å; H348-D649 PolarHBondContact NE2-OD2 3.19Å; I647-D649 WeakPolarHBondContact CA-OD1 3.49Å; I647-D649 PolarHBondContact O-N 2.89Å; I647-D649 VanDerWaalsContact O-N 3.13Å; D649-C651 PolarHBondContact O-N 2.85Å; D649-V652 PolarHBondContact O-N 2.91Å; D649-V653 WeakPolarHBondContact O-CB 3.48Å; D649-V653 VanDerWaalsContact O-CG2 3.27Å; D649-V653 WeakPolarHBondContact O-CG2 3.31Å; D649-V653 PolarHBondContact O-N 2.64Å; D649-Y659 HydrophobicContact CB-CD1 3.45Å; D649-Y659 VanDerWaalsContact CB-CD1 3.45Å; D649-Y659 HydrophobicContact CB-CD2 3.92Å; D649-Y659 HydrophobicContact CB-CE1 3.69Å; D649-Y659 HydrophobicContact CB-CE2 4.13Å; D649-Y659 HydrophobicContact CB-CG 3.54Å
650	W	97.4	Very high	96.2	Very high	6 Å²	6	31.6 Å²	31.6	2%	0.023	20%	0.202	C	C	.	.	H	α-helix	trans	-61.1	-44.4	177.1	-175.1	90.8	0	0	0	112.3	H348 G532 H610 V635 L638 M641 I647 P648 V652 V653 E654	H348-W650 AromaticContact CD2-CD1 3.97Å; H348-W650 AromaticContact CG-CD1 3.89Å; G532-W650 PolarHBondContact O-NE1 2.84Å; H610-W650 HydrophobicContact CB-CZ2 4.37Å; H610-W650 AromaticContact ND1-CH2 3.86Å; H610-W650 AromaticContact ND1-CZ2 3.57Å; V635-W650 HydrophobicContact CB-CH2 4.3Å; V635-W650 HydrophobicContact CB-CZ3 4.49Å; V635-W650 HydrophobicContact CG1-CH2 3.98Å; V635-W650 HydrophobicContact CG1-CZ3 3.85Å; V635-W650 HydrophobicContact CG2-CH2 3.92Å; V635-W650 HydrophobicContact CG2-CZ3 4.05Å; L638-W650 HydrophobicContact CD2-CE3 4.08Å; L638-W650 HydrophobicContact CD2-CH2 3.82Å; L638-W650 HydrophobicContact CD2-CZ3 3.2Å; M641-W650 HydrophobicContact CE-CE3 3.46Å; M641-W650 VanDerWaalsContact CE-CE3 3.46Å; M641-W650 HydrophobicContact CE-CZ3 3.47Å; M641-W650 VanDerWaalsContact CE-CZ3 3.47Å; I647-W650 HydrophobicContact CB-CB 4.26Å; I647-W650 HydrophobicContact CD1-CB 3.68Å; I647-W650 HydrophobicContact CD1-CD2 4.47Å; I647-W650 HydrophobicContact CD1-CG 3.86Å; I647-W650 HydrophobicContact CG1-CB 4.1Å; I647-W650 WeakPolarHBondContact O-CB 3.25Å; I647-W650 PolarHBondContact O-N 3.45Å; I647-W650 VanDerWaalsContact O-N 3.07Å; P648-W650 VanDerWaalsContact C-N 3.27Å; P648-W650 PolarHBondContact O-N 3.43Å; W650-V652 VanDerWaalsContact C-N 3.25Å; W650-V652 PolarHBondContact O-N 2.92Å; W650-V653 PolarHBondContact O-N 3.47Å; W650-E654 HydrophobicContact CD2-CG 3.84Å; W650-E654 HydrophobicContact CE3-CG 4.49Å; W650-E654 HydrophobicContact CG-CG 4.08Å; W650-E654 HydrophobicContact CZ2-CG 3.99Å; W650-E654 WeakPolarHBondContact O-CB 3.5Å; W650-E654 VanDerWaalsContact O-CG 3.25Å; W650-E654 WeakPolarHBondContact O-CG 3.47Å; W650-E654 PolarHBondContact O-N 3.15Å
651	C	97.9	Very high	95.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.5	-40	-179.5	-63	0	0	0	0	112.3	M641 I642 P648 D649 A655 M673	M641-C651 WeakPolarHBondContact CE-SG 3.34Å; I642-C651 HydrophobicContact CB-CB 4Å; I642-C651 HydrophobicContact CG1-CB 4.21Å; P648-C651 PolarHBondContact O-N 3.04Å; D649-C651 PolarHBondContact O-N 2.85Å; C651-A655 WeakPolarHBondContact O-CB 3.21Å; C651-A655 PolarHBondContact O-N 2.92Å; C651-M673 HydrophobicContact CB-SD 3.8Å
652	V	97.7	Very high	95.3	Very high	5 Å²	5	37 Å²	37	3%	0.03	23%	0.228	C	C	.	.	H	α-helix	trans	-77.6	-47.9	-176.4	-178.7	0	0	0	0	110.7	I642 D649 W650 A655 G656 Y657 Y659 P665 V669 M673	I642-V652 HydrophobicContact CD1-CG2 3.49Å; I642-V652 VanDerWaalsContact CD1-CG2 3.49Å; D649-V652 PolarHBondContact O-N 2.91Å; W650-V652 VanDerWaalsContact C-N 3.25Å; W650-V652 PolarHBondContact O-N 2.92Å; V652-A655 WeakPolarHBondContact O-CB 3.22Å; V652-A655 PolarHBondContact O-N 2.82Å; V652-G656 PolarHBondContact O-N 2.85Å; V652-Y657 CarbonylContact C-O 3.27Å; V652-Y657 PolarHBondContact O-N 2.9Å; V652-Y657 VanDerWaalsContact O-N 3.16Å; V652-Y659 HydrophobicContact CB-CD2 4.21Å; V652-Y659 HydrophobicContact CG2-CD2 4.07Å; V652-P665 HydrophobicContact CG2-CG 3.99Å; V652-V669 HydrophobicContact CG1-CG1 4.39Å; V652-M673 HydrophobicContact CG2-SD 4.41Å
653	V	97.4	Very high	94.8	Very high	6 Å²	6	39.7 Å²	39.7	4%	0.036	25%	0.248	C	C	.	.	H	α-helix	trans	-62.9	-48.4	-178.9	166.6	0	0	0	0	111.8	G346 L575 D649 W650 A655 G656 Y657	G346-V653 VanDerWaalsContact C-CG1 3.49Å; L575-V653 HydrophobicContact CD1-CG1 4.29Å; L575-V653 HydrophobicContact CD2-CG1 3.62Å; D649-V653 WeakPolarHBondContact O-CB 3.48Å; D649-V653 VanDerWaalsContact O-CG2 3.27Å; D649-V653 WeakPolarHBondContact O-CG2 3.31Å; D649-V653 PolarHBondContact O-N 2.64Å; W650-V653 PolarHBondContact O-N 3.47Å; V653-A655 PolarHBondContact O-N 3.35Å; V653-G656 WeakPolarHBondContact O-CA 3.44Å; V653-G656 PolarHBondContact O-N 3.44Å; V653-Y657 VanDerWaalsContact CA-O 3.3Å; V653-Y657 WeakPolarHBondContact CA-O 3.35Å
654	E	98.1	Very high	94.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.3	-27.8	179.3	-63.7	-52.3	151.8	0	0	111.6	P533 H534 G576 V578 W650 G656	P533-E654 VanDerWaalsContact CG-CD 3.42Å; P533-E654 HydrophobicContact CG-CG 4.27Å; P533-E654 VanDerWaalsContact CG-OE2 3.28Å; P533-E654 WeakPolarHBondContact CG-OE2 3.33Å; H534-E654 IonicContact CD2-OE1 3.91Å; H534-E654 PolarHBondContact CD2-OE1 2.79Å; H534-E654 IonicContact NE2-OE1 3.79Å; H534-E654 PolarHBondContact NE2-OE1 3.01Å; H534-E654 IonicContact NE2-OE2 3.71Å; G576-E654 PolarHBondContact N-O 3.1Å; V578-E654 HydrophobicContact CG1-CB 4.07Å; V578-E654 HydrophobicContact CG2-CB 4.2Å; V578-E654 WeakPolarHBondContact CG2-O 3.43Å; W650-E654 HydrophobicContact CD2-CG 3.84Å; W650-E654 HydrophobicContact CE3-CG 4.49Å; W650-E654 HydrophobicContact CG-CG 4.08Å; W650-E654 HydrophobicContact CZ2-CG 3.99Å; W650-E654 WeakPolarHBondContact O-CB 3.5Å; W650-E654 VanDerWaalsContact O-CG 3.25Å; W650-E654 WeakPolarHBondContact O-CG 3.47Å; W650-E654 PolarHBondContact O-N 3.15Å; E654-G656 PolarHBondContact O-N 3.2Å
655	A	97.6	Very high	94.6	Very high	3 Å²	3	41.6 Å²	41.6	3%	0.025	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-6.9	171.9	0	0	0	0	0	114.1	C651 V652 V653 Y657 M673 K676	C651-A655 WeakPolarHBondContact O-CB 3.21Å; C651-A655 PolarHBondContact O-N 2.92Å; V652-A655 WeakPolarHBondContact O-CB 3.22Å; V652-A655 PolarHBondContact O-N 2.82Å; V653-A655 PolarHBondContact O-N 3.35Å; A655-Y657 HydrophobicContact CB-CD2 4.14Å; A655-M673 HydrophobicContact CB-CG 3.72Å; A655-K676 HydrophobicContact CB-CD 4.1Å; A655-K676 WeakPolarHBondContact O-CE 3.17Å
656	G	96.8	Very high	94.4	Very high	42 Å²	42	46.4 Å²	46.4	43%	0.433	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.8	22.1	175.3	0	0	0	0	0	114.3	G576 V652 V653 E654	G576-G656 VanDerWaalsContact CA-CA 3.45Å; V652-G656 PolarHBondContact O-N 2.85Å; V653-G656 WeakPolarHBondContact O-CA 3.44Å; V653-G656 PolarHBondContact O-N 3.44Å; E654-G656 PolarHBondContact O-N 3.2Å
657	Y	97.1	Very high	94.3	Very high	90 Å²	90	50.7 Å²	50.7	35%	0.353	29%	0.29	S	S	.	.			trans	-122.5	147.6	-176.7	-65.9	-85.7	0	0	0	111.5	V652 V653 A655 V669 Q672	V652-Y657 CarbonylContact C-O 3.27Å; V652-Y657 PolarHBondContact O-N 2.9Å; V652-Y657 VanDerWaalsContact O-N 3.16Å; V653-Y657 VanDerWaalsContact CA-O 3.3Å; V653-Y657 WeakPolarHBondContact CA-O 3.35Å; A655-Y657 HydrophobicContact CB-CD2 4.14Å; Y657-V669 HydrophobicContact CD1-CG2 3.84Å; Y657-V669 HydrophobicContact CD2-CG1 3.79Å; Y657-V669 HydrophobicContact CD2-CG2 4.36Å; Y657-V669 HydrophobicContact CE1-CG2 3.95Å; Y657-V669 HydrophobicContact CE2-CG1 4.28Å; Y657-V669 HydrophobicContact CE2-CG2 4.47Å; Y657-V669 HydrophobicContact CG-CG1 3.96Å; Y657-V669 HydrophobicContact CG-CG2 4.05Å; Y657-Q672 HydrophobicContact CE2-CB 3.75Å; Y657-Q672 HydrophobicContact CE2-CG 3.84Å; Y657-Q672 WeakPolarHBondContact OH-CG 3.19Å
658	D	94	Very high	94.3	Very high	160 Å²	160	53 Å²	53	86%	0.856	31%	0.311	S	S	*	.			trans	-68.9	143.2	173	-66	-38.1	0	0	0	110.8
659	Y	93.8	Very high	94.3	Very high	23 Å²	23	52.8 Å²	52.8	9%	0.09	31%	0.309	C	S	.	.			trans	-104.9	135.6	177.4	178.2	-97.1	0	0	0	110.9	F290 L292 Y345 P648 D649 V652 P661	F290-Y659 WeakPolarHBondContact CE2-OH 3.38Å; F290-Y659 VanDerWaalsContact CZ-OH 3.23Å; F290-Y659 WeakPolarHBondContact CZ-OH 3.26Å; L292-Y659 HydrophobicContact CD1-CE1 4.29Å; Y345-Y659 AromaticContact CD1-CD1 3.73Å; Y345-Y659 HydrophobicContact CD1-CD1 3.73Å; Y345-Y659 HydrophobicContact CD1-CE1 4.24Å; Y345-Y659 AromaticContact CE1-CD1 3.98Å; Y345-Y659 HydrophobicContact CE1-CD1 3.98Å; Y345-Y659 HydrophobicContact CE1-CE1 4.1Å; Y345-Y659 HydrophobicContact CG-CD1 4.27Å; P648-Y659 HydrophobicContact CB-CE2 4.48Å; D649-Y659 HydrophobicContact CB-CD1 3.45Å; D649-Y659 VanDerWaalsContact CB-CD1 3.45Å; D649-Y659 HydrophobicContact CB-CD2 3.92Å; D649-Y659 HydrophobicContact CB-CE1 3.69Å; D649-Y659 HydrophobicContact CB-CE2 4.13Å; D649-Y659 HydrophobicContact CB-CG 3.54Å; V652-Y659 HydrophobicContact CB-CD2 4.21Å; V652-Y659 HydrophobicContact CG2-CD2 4.07Å; Y659-P661 HydrophobicContact CE1-CB 4.21Å
660	T	90.1	Very high	94.4	Very high	70 Å²	70	56.3 Å²	56.3	43%	0.429	32%	0.322	S	S	.	.			trans	-132.8	134.3	168.4	54.7	0	0	0	0	109.1	D662 C663	T660-D662 PolarHBondContact O-N 3.31Å; T660-C663 PolarHBondContact OG1-SG 3.02Å
661	P	89.6	Confident	94.4	Very high	23 Å²	23	61.6 Å²	61.6	15%	0.149	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-14	-178.6	32.1	-37.4	0	0	0	113.3	P289 F290 Y345 Y659	P289-P661 HydrophobicContact CG-CB 3.9Å; P289-P661 HydrophobicContact CG-CG 4.42Å; F290-P661 HydrophobicContact CE1-CB 4.13Å; F290-P661 WeakPolarHBondContact CE1-O 3.42Å; F290-P661 HydrophobicContact CZ-CB 3.93Å; Y345-P661 WeakPolarHBondContact OH-CD 3.36Å; Y345-P661 WeakPolarHBondContact OH-CG 3.42Å; Y659-P661 HydrophobicContact CE1-CB 4.21Å
662	D	87.6	Confident	94.4	Very high	139 Å²	139	64.7 Å²	64.7	74%	0.743	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-6.2	-172.2	-58.3	-28.8	0	0	0	113.9	T660	T660-D662 PolarHBondContact O-N 3.31Å
663	C	84.4	Confident	94.4	Very high	78 Å²	78	64.5 Å²	64.5	53%	0.527	36%	0.36	S	S	.	.	S	Bend	trans	-142.3	155.1	175.8	68.5	0	0	0	0	112.2	T660	T660-C663 PolarHBondContact OG1-SG 3.02Å
664	L	88.9	Confident	94.5	Very high	143 Å²	143	67.7 Å²	67.7	75%	0.749	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-75.3	153.4	165.8	-60.9	177.2	0	0	0	109.1	W670	L664-W670 HydrophobicContact CB-CH2 3.95Å
665	P	92.7	Very high	94.5	Very high	28 Å²	28	70 Å²	70	18%	0.182	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-53.7	169.2	172.4	-23.1	28.6	0	0	0	112.9	I642 V652 V669 W670	I642-P665 HydrophobicContact CD1-CG 3.65Å; V652-P665 HydrophobicContact CG2-CG 3.99Å; P665-V669 HydrophobicContact CB-CB 3.92Å; P665-V669 HydrophobicContact CB-CG1 3.97Å; P665-W670 HydrophobicContact CB-CD2 4.22Å; P665-W670 HydrophobicContact CB-CE3 3.85Å; P665-W670 HydrophobicContact CB-CH2 3.58Å; P665-W670 HydrophobicContact CB-CZ2 3.93Å; P665-W670 HydrophobicContact CB-CZ3 3.59Å; P665-W670 VanDerWaalsContact CD-CH2 3.4Å; P665-W670 HydrophobicContact CG-CH2 3.82Å; P665-W670 HydrophobicContact CG-CZ2 3.75Å; P665-W670 HydrophobicContact CG-CZ3 4.33Å; P665-W670 WeakPolarHBondContact O-CH2 3.18Å; P665-W670 WeakPolarHBondContact O-CZ3 3.28Å
666	D	93.9	Very high	94.5	Very high	115 Å²	115	71.7 Å²	71.7	62%	0.615	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-83.9	150.5	167.9	-74.3	-40.8	0	0	0	110.6	A668 V669 W670	D666-A668 PolarHBondContact O-N 3.01Å; D666-V669 HydrophobicContact CB-CG2 4.24Å; D666-V669 WeakPolarHBondContact O-CA 3.19Å; D666-V669 VanDerWaalsContact O-CB 3.3Å; D666-V669 WeakPolarHBondContact O-CB 3.48Å; D666-V669 PolarHBondContact O-N 3.17Å; D666-W670 VanDerWaalsContact C-CE3 3.45Å; D666-W670 VanDerWaalsContact C-CZ3 3.45Å; D666-W670 WeakPolarHBondContact O-CZ3 2.94Å; D666-W670 PolarHBondContact O-N 3.42Å
667	P	95.8	Very high	94.6	Very high	107 Å²	107	69.7 Å²	69.7	70%	0.695	38%	0.376	S	S	*	.	H	α-helix	trans	-47.4	-36.8	176.4	-31.6	37	0	0	0	114.8	V669 W670 E671	P667-V669 VanDerWaalsContact C-N 3.3Å; P667-V669 PolarHBondContact O-N 3.37Å; P667-W670 PolarHBondContact O-N 3.44Å; P667-E671 PolarHBondContact O-N 2.86Å; P667-E671 VanDerWaalsContact O-N 3.11Å
668	A	96.8	Very high	94.7	Very high	57 Å²	57	65.4 Å²	65.4	47%	0.471	36%	0.359	S	S	.	.	H	α-helix	trans	-64.4	-31.9	176	0	0	0	0	0	113.2	D666 E671 Q672	D666-A668 PolarHBondContact O-N 3.01Å; A668-E671 WeakPolarHBondContact O-CB 3.48Å; A668-E671 PolarHBondContact O-N 2.94Å; A668-Q672 PolarHBondContact O-N 2.78Å
669	V	97.3	Very high	94.9	Very high	13 Å²	13	59.1 Å²	59.1	8%	0.079	33%	0.325	C	S	.	.	H	α-helix	trans	-69.9	-40.1	175.4	-178.5	0	0	0	0	110.5	V652 Y657 P665 D666 P667 E671 Q672 M673	V652-V669 HydrophobicContact CG1-CG1 4.39Å; Y657-V669 HydrophobicContact CD1-CG2 3.84Å; Y657-V669 HydrophobicContact CD2-CG1 3.79Å; Y657-V669 HydrophobicContact CD2-CG2 4.36Å; Y657-V669 HydrophobicContact CE1-CG2 3.95Å; Y657-V669 HydrophobicContact CE2-CG1 4.28Å; Y657-V669 HydrophobicContact CE2-CG2 4.47Å; Y657-V669 HydrophobicContact CG-CG1 3.96Å; Y657-V669 HydrophobicContact CG-CG2 4.05Å; P665-V669 HydrophobicContact CB-CB 3.92Å; P665-V669 HydrophobicContact CB-CG1 3.97Å; D666-V669 HydrophobicContact CB-CG2 4.24Å; D666-V669 WeakPolarHBondContact O-CA 3.19Å; D666-V669 VanDerWaalsContact O-CB 3.3Å; D666-V669 WeakPolarHBondContact O-CB 3.48Å; D666-V669 PolarHBondContact O-N 3.17Å; P667-V669 VanDerWaalsContact C-N 3.3Å; P667-V669 PolarHBondContact O-N 3.37Å; V669-E671 VanDerWaalsContact C-N 3.3Å; V669-E671 PolarHBondContact O-N 3.16Å; V669-Q672 PolarHBondContact O-N 3.37Å; V669-M673 HydrophobicContact CG1-CE 4.35Å; V669-M673 WeakPolarHBondContact O-CG 3.12Å; V669-M673 PolarHBondContact O-N 2.65Å
670	W	97.4	Very high	95.1	Very high	75 Å²	75	62.7 Å²	62.7	28%	0.284	34%	0.341	S	S	.	.	H	α-helix	trans	-62.1	-39	171.2	-80.4	-93.3	0	0	0	112.7	L664 P665 D666 P667 Q672 M673 L674	L664-W670 HydrophobicContact CB-CH2 3.95Å; P665-W670 HydrophobicContact CB-CD2 4.22Å; P665-W670 HydrophobicContact CB-CE3 3.85Å; P665-W670 HydrophobicContact CB-CH2 3.58Å; P665-W670 HydrophobicContact CB-CZ2 3.93Å; P665-W670 HydrophobicContact CB-CZ3 3.59Å; P665-W670 VanDerWaalsContact CD-CH2 3.4Å; P665-W670 HydrophobicContact CG-CH2 3.82Å; P665-W670 HydrophobicContact CG-CZ2 3.75Å; P665-W670 HydrophobicContact CG-CZ3 4.33Å; P665-W670 WeakPolarHBondContact O-CH2 3.18Å; P665-W670 WeakPolarHBondContact O-CZ3 3.28Å; D666-W670 VanDerWaalsContact C-CE3 3.45Å; D666-W670 VanDerWaalsContact C-CZ3 3.45Å; D666-W670 WeakPolarHBondContact O-CZ3 2.94Å; D666-W670 PolarHBondContact O-N 3.42Å; P667-W670 PolarHBondContact O-N 3.44Å; W670-Q672 VanDerWaalsContact C-N 3.31Å; W670-Q672 PolarHBondContact O-N 2.75Å; W670-M673 HydrophobicContact CB-CE 4.12Å; W670-M673 VanDerWaalsContact CD1-CE 3.47Å; W670-M673 HydrophobicContact CD2-CE 3.98Å; W670-M673 HydrophobicContact CG-CE 3.58Å; W670-M673 PolarHBondContact O-N 3Å; W670-L674 PolarHBondContact O-N 3.18Å
671	E	97.7	Very high	95.5	Very high	117 Å²	117	62.3 Å²	62.3	55%	0.547	33%	0.332	S	S	.	.	H	α-helix	trans	-60.4	-43.1	174.7	-170.8	-176.2	178.6	0	0	111.1	P667 A668 V669 L674 N675	P667-E671 PolarHBondContact O-N 2.86Å; P667-E671 VanDerWaalsContact O-N 3.11Å; A668-E671 WeakPolarHBondContact O-CB 3.48Å; A668-E671 PolarHBondContact O-N 2.94Å; V669-E671 VanDerWaalsContact C-N 3.3Å; V669-E671 PolarHBondContact O-N 3.16Å; E671-L674 PolarHBondContact O-N 2.96Å; E671-N675 WeakPolarHBondContact O-CB 3.35Å; E671-N675 PolarHBondContact O-N 2.88Å; E671-N675 PolarHBondContact O-ND2 2.62Å
672	Q	98.1	Very high	95.9	Very high	65 Å²	65	61.6 Å²	61.6	30%	0.304	33%	0.327	S	S	.	.	H	α-helix	trans	-65.6	-42.8	175.1	-68.9	-43.4	-50.2	0	0	113.2	Y657 A668 V669 W670 L674 N675 K676	Y657-Q672 HydrophobicContact CE2-CB 3.75Å; Y657-Q672 HydrophobicContact CE2-CG 3.84Å; Y657-Q672 WeakPolarHBondContact OH-CG 3.19Å; A668-Q672 PolarHBondContact O-N 2.78Å; V669-Q672 PolarHBondContact O-N 3.37Å; W670-Q672 VanDerWaalsContact C-N 3.31Å; W670-Q672 PolarHBondContact O-N 2.75Å; Q672-L674 VanDerWaalsContact C-N 3.28Å; Q672-L674 PolarHBondContact O-N 3.15Å; Q672-N675 PolarHBondContact O-N 3.23Å; Q672-N675 VanDerWaalsContact O-N 3.13Å; Q672-K676 WeakPolarHBondContact O-CG 3.35Å; Q672-K676 PolarHBondContact O-N 2.89Å
673	M	98.4	Very high	96.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-55.3	-45.2	173.5	-76.9	-169.9	-69.4	0	0	111	L638 A639 I642 C651 V652 A655 V669 W670 K676 S677	L638-M673 HydrophobicContact CB-CB 3.75Å; L638-M673 HydrophobicContact CB-CG 4.15Å; A639-M673 HydrophobicContact CB-CB 3.96Å; I642-M673 HydrophobicContact CD1-CE 4.03Å; I642-M673 HydrophobicContact CD1-SD 4.17Å; I642-M673 HydrophobicContact CG2-CE 4.38Å; C651-M673 HydrophobicContact CB-SD 3.8Å; V652-M673 HydrophobicContact CG2-SD 4.41Å; A655-M673 HydrophobicContact CB-CG 3.72Å; V669-M673 HydrophobicContact CG1-CE 4.35Å; V669-M673 WeakPolarHBondContact O-CG 3.12Å; V669-M673 PolarHBondContact O-N 2.65Å; W670-M673 HydrophobicContact CB-CE 4.12Å; W670-M673 VanDerWaalsContact CD1-CE 3.47Å; W670-M673 HydrophobicContact CD2-CE 3.98Å; W670-M673 HydrophobicContact CG-CE 3.58Å; W670-M673 PolarHBondContact O-N 3Å; M673-K676 PolarHBondContact O-N 2.83Å; M673-S677 PolarHBondContact O-N 3Å; M673-S677 PolarHBondContact O-OG 3.43Å
674	L	98.4	Very high	97.1	Very high	73 Å²	73	58.7 Å²	58.7	38%	0.382	31%	0.308	S	S	.	.	H	α-helix	trans	-66	-42.3	175.5	-179.9	62.2	0	0	0	111.9	A639 W670 E671 Q672 K676 S677 I679	A639-L674 HydrophobicContact CB-CB 4.07Å; W670-L674 PolarHBondContact O-N 3.18Å; E671-L674 PolarHBondContact O-N 2.96Å; Q672-L674 VanDerWaalsContact C-N 3.28Å; Q672-L674 PolarHBondContact O-N 3.15Å; L674-K676 PolarHBondContact O-N 3.42Å; L674-S677 WeakPolarHBondContact O-CB 3.12Å; L674-S677 PolarHBondContact O-N 3.13Å; L674-I679 HydrophobicContact CD1-CG2 3.93Å
675	N	98.2	Very high	97.6	Very high	50 Å²	50	52.2 Å²	52.2	27%	0.267	27%	0.274	S	S	.	.	H	α-helix	trans	-63.3	-29	180	-83	-39.1	0	0	0	113.4	E671 Q672 K680	E671-N675 WeakPolarHBondContact O-CB 3.35Å; E671-N675 PolarHBondContact O-N 2.88Å; E671-N675 PolarHBondContact O-ND2 2.62Å; Q672-N675 PolarHBondContact O-N 3.23Å; Q672-N675 VanDerWaalsContact O-N 3.13Å; N675-K680 PolarHBondContact OD1-NZ 2.97Å
676	K	98.4	Very high	97.8	Very high	38 Å²	38	59.6 Å²	59.6	17%	0.165	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-7.1	175.1	-69.5	179.1	176.8	-55.3	0	113.8	G576 V578 F613 H617 L638 A655 Q672 M673 L674	G576-K676 VanDerWaalsContact C-NZ 3.27Å; G576-K676 WeakPolarHBondContact O-CE 3.16Å; G576-K676 PolarHBondContact O-NZ 3.03Å; V578-K676 HydrophobicContact CG2-CB 4.32Å; V578-K676 HydrophobicContact CG2-CD 4.09Å; F613-K676 WeakPolarHBondContact CE2-O 3.23Å; F613-K676 WeakPolarHBondContact CZ-O 3.46Å; H617-K676 PolarHBondContact CE1-O 3.33Å; H617-K676 VanDerWaalsContact CE1-O 3.28Å; H617-K676 PolarHBondContact NE2-O 2.82Å; L638-K676 HydrophobicContact CD1-CB 4.16Å; A655-K676 HydrophobicContact CB-CD 4.1Å; A655-K676 WeakPolarHBondContact O-CE 3.17Å; Q672-K676 WeakPolarHBondContact O-CG 3.35Å; Q672-K676 PolarHBondContact O-N 2.89Å; M673-K676 PolarHBondContact O-N 2.83Å; L674-K676 PolarHBondContact O-N 3.42Å
677	S	98.8	Very high	98.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-87	141.1	-174.5	-68.1	0	0	0	0	112.9	V636 N637 L638 M673 L674 I679 K680	V636-S677 WeakPolarHBondContact O-CB 3.41Å; N637-S677 WeakPolarHBondContact CA-OG 3.2Å; L638-S677 PolarHBondContact N-OG 3.41Å; M673-S677 PolarHBondContact O-N 3Å; M673-S677 PolarHBondContact O-OG 3.43Å; L674-S677 WeakPolarHBondContact O-CB 3.12Å; L674-S677 PolarHBondContact O-N 3.13Å; S677-I679 PolarHBondContact O-N 3.06Å; S677-K680 WeakPolarHBondContact O-CB 3.16Å; S677-K680 PolarHBondContact O-N 3.01Å
678	P	98.6	Very high	98.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-65.8	-21.1	-179	27.3	-36.9	0	0	0	112.9	F613 C616 H617 V636 K680 Y681	F613-P678 HydrophobicContact CD2-CG 3.97Å; F613-P678 VanDerWaalsContact CE2-CD 3.41Å; F613-P678 HydrophobicContact CE2-CG 4.47Å; F613-P678 HydrophobicContact CG-CG 4.47Å; C616-P678 HydrophobicContact CB-CB 3.62Å; C616-P678 HydrophobicContact CB-CG 3.85Å; H617-P678 HydrophobicContact CB-CB 4.31Å; H617-P678 VanDerWaalsContact CE1-CA 3.47Å; H617-P678 WeakPolarHBondContact CE1-CA 3.34Å; H617-P678 WeakPolarHBondContact NE2-CD 3.36Å; V636-P678 HydrophobicContact CB-CG 4.43Å; V636-P678 WeakPolarHBondContact O-CD 3.3Å; V636-P678 WeakPolarHBondContact O-CG 3.24Å; P678-K680 PolarHBondContact O-N 2.96Å; P678-K680 VanDerWaalsContact O-N 3.13Å; P678-Y681 PolarHBondContact O-N 3.29Å
679	I	98.5	Very high	98.3	Very high	28 Å²	28	47.4 Å²	47.4	14%	0.144	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-57.3	-28.9	177.4	-161.3	166.6	0	0	0	113.1	V636 N637 L674 S677 Y681 V682 E707	V636-I679 WeakPolarHBondContact O-CB 3.14Å; V636-I679 PolarHBondContact O-N 3.18Å; V636-I679 VanDerWaalsContact O-N 3.15Å; N637-I679 HydrophobicContact CB-CB 4.49Å; N637-I679 HydrophobicContact CB-CG2 3.94Å; L674-I679 HydrophobicContact CD1-CG2 3.93Å; S677-I679 PolarHBondContact O-N 3.06Å; I679-Y681 PolarHBondContact O-N 3.14Å; I679-V682 HydrophobicContact CG1-CG2 4.09Å; I679-V682 WeakPolarHBondContact O-CB 3.2Å; I679-V682 WeakPolarHBondContact O-CG2 3.25Å; I679-V682 PolarHBondContact O-N 3.01Å; I679-E707 HydrophobicContact CD1-CG 3.64Å; I679-E707 WeakPolarHBondContact CD1-OE1 3.42Å
680	K	97.9	Very high	98.4	Very high	98 Å²	98	46.8 Å²	46.8	43%	0.426	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-60.2	-27.4	174.4	179.5	175.8	175.4	177.1	0	112.7	N675 S677 P678 P683	N675-K680 PolarHBondContact OD1-NZ 2.97Å; S677-K680 WeakPolarHBondContact O-CB 3.16Å; S677-K680 PolarHBondContact O-N 3.01Å; P678-K680 PolarHBondContact O-N 2.96Å; P678-K680 VanDerWaalsContact O-N 3.13Å; K680-P683 VanDerWaalsContact O-CD 3.31Å; K680-P683 WeakPolarHBondContact O-CD 3.17Å
681	Y	98.5	Very high	98.5	Very high	61 Å²	61	43.2 Å²	43.2	24%	0.239	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-97	1.6	-178.1	-60	-80.5	0	0	0	114	H617 Q621 P678 I679 P683 Q684 V685	H617-Y681 AromaticContact CE1-CD2 3.81Å; H617-Y681 AromaticContact CE1-CE2 3.65Å; H617-Y681 AromaticContact ND1-CD2 3.48Å; H617-Y681 WeakPolarHBondContact ND1-CD2 3.1Å; H617-Y681 AromaticContact ND1-CE2 3.58Å; Q621-Y681 HydrophobicContact CG-CD1 3.88Å; Q621-Y681 HydrophobicContact CG-CD2 4.11Å; Q621-Y681 HydrophobicContact CG-CE1 3.87Å; Q621-Y681 HydrophobicContact CG-CE2 4.12Å; Q621-Y681 HydrophobicContact CG-CG 3.99Å; P678-Y681 PolarHBondContact O-N 3.29Å; I679-Y681 PolarHBondContact O-N 3.14Å; Y681-P683 VanDerWaalsContact O-N 3.17Å; Y681-Q684 PolarHBondContact O-N 3.28Å; Y681-Q684 PolarHBondContact O-OE1 2.85Å; Y681-V685 PolarHBondContact O-N 3.15Å
682	V	98.3	Very high	98.5	Very high	8 Å²	8	37.7 Å²	37.7	5%	0.048	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-50.9	-36.5	172.2	171.9	0	0	0	0	112.7	I679 Q684 V685 Y708 A711 L712 K715	I679-V682 HydrophobicContact CG1-CG2 4.09Å; I679-V682 WeakPolarHBondContact O-CB 3.2Å; I679-V682 WeakPolarHBondContact O-CG2 3.25Å; I679-V682 PolarHBondContact O-N 3.01Å; V682-Q684 PolarHBondContact O-N 2.96Å; V682-Q684 VanDerWaalsContact O-N 3.11Å; V682-V685 PolarHBondContact O-N 3.38Å; V682-Y708 HydrophobicContact CG2-CD2 3.81Å; V682-Y708 HydrophobicContact CG2-CE2 3.27Å; V682-A711 HydrophobicContact CG1-CB 3.95Å; V682-A711 HydrophobicContact CG2-CB 4.33Å; V682-L712 HydrophobicContact CG1-CD2 4.44Å; V682-K715 HydrophobicContact CG1-CG 4.23Å
683	P	98.2	Very high	98.5	Very high	70 Å²	70	34.7 Å²	34.7	46%	0.455	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-56.9	-27	177.9	-28.1	37.3	0	0	0	115.9	K680 Y681 K715	K680-P683 VanDerWaalsContact O-CD 3.31Å; K680-P683 WeakPolarHBondContact O-CD 3.17Å; Y681-P683 VanDerWaalsContact O-N 3.17Å; P683-K715 VanDerWaalsContact CA-NZ 3.31Å; P683-K715 PolarHBondContact O-NZ 3.04Å
684	Q	98.5	Very high	98.5	Very high	87 Å²	87	34.7 Å²	34.7	41%	0.407	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-93.1	-19.1	-177.8	-65.7	77	8.8	0	0	113.2	G620 P623 Y681 V682 R686	G620-Q684 WeakPolarHBondContact O-CB 3.22Å; P623-Q684 WeakPolarHBondContact CB-O 3.35Å; Y681-Q684 PolarHBondContact O-N 3.28Å; Y681-Q684 PolarHBondContact O-OE1 2.85Å; V682-Q684 PolarHBondContact O-N 2.96Å; V682-Q684 VanDerWaalsContact O-N 3.11Å; Q684-R686 PolarHBondContact O-N 3.03Å
685	V	98.8	Very high	98.5	Very high	7 Å²	7	35.1 Å²	35.1	4%	0.042	16%	0.163	C	C	.	.			trans	-58.8	132	-174.7	176	0	0	0	0	111.2	I619 Y681 V682 L712 I717	I619-V685 HydrophobicContact CD1-CG1 3.81Å; I619-V685 HydrophobicContact CD1-CG2 4.3Å; I619-V685 HydrophobicContact CG1-CG1 4.26Å; I619-V685 HydrophobicContact CG1-CG2 4.1Å; Y681-V685 PolarHBondContact O-N 3.15Å; V682-V685 PolarHBondContact O-N 3.38Å; V685-L712 HydrophobicContact CB-CD2 4.23Å; V685-L712 HydrophobicContact CG1-CD2 3.8Å; V685-I717 HydrophobicContact CG1-CG1 4.48Å; V685-I717 HydrophobicContact CG1-CG2 4.3Å; V685-I717 WeakPolarHBondContact O-CD1 3.34Å
686	R	98.3	Very high	98.4	Very high	183 Å²	183	36.4 Å²	36.4	69%	0.691	17%	0.17	S	C	*	.			trans	-122.7	-20.5	173.5	-60.2	-179.2	-177.2	-175	-0.3	113	Q684	Q684-R686 PolarHBondContact O-N 3.03Å
687	T	98.8	Very high	98.4	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.018	16%	0.164	C	C	.	.	S	Bend	trans	-74.3	132.6	-172.3	-53.7	0	0	0	0	111.3	I619 Y626 C629 V689 I717	I619-T687 HydrophobicContact CG2-CG2 3.95Å; Y626-T687 WeakPolarHBondContact O-CB 3.2Å; Y626-T687 WeakPolarHBondContact O-CG2 3.4Å; Y626-T687 PolarHBondContact O-OG1 2.83Å; C629-T687 HydrophobicContact CB-CG2 3.9Å; T687-V689 WeakPolarHBondContact O-CG2 3.03Å; T687-V689 PolarHBondContact O-N 3.16Å; T687-I717 VanDerWaalsContact O-CG2 3.3Å; T687-I717 WeakPolarHBondContact O-CG2 3.26Å
688	P	98.8	Very high	98.3	Very high	19 Å²	19	39.2 Å²	39.2	12%	0.123	18%	0.183	C	C	.	.			trans	-56	131.7	168.1	-28.5	37.1	0	0	0	113	K627 C629 P718 W747 H751	K627-P688 WeakPolarHBondContact O-CD 3.49Å; C629-P688 PolarHBondContact N-O 2.82Å; P688-P718 CarbonylContact C-O 3.55Å; P688-P718 VanDerWaalsContact CA-O 3.27Å; P688-P718 WeakPolarHBondContact CA-O 3.26Å; P688-P718 HydrophobicContact CB-CB 4.07Å; P688-P718 HydrophobicContact CG-CB 4.25Å; P688-P718 HydrophobicContact CG-CG 4.32Å; P688-W747 HydrophobicContact CB-CZ2 3.65Å; P688-W747 PolarHBondContact O-NE1 2.93Å; P688-H751 WeakPolarHBondContact CG-ND1 3.42Å
689	V	98.9	Very high	98.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.9	-175.9	-172.9	0	0	0	0	112.8	I619 C629 T687 L691 L712 P718 V719 R720 W747	I619-V689 HydrophobicContact CD1-CG2 3.61Å; C629-V689 HydrophobicContact CB-CG2 4.25Å; C629-V689 CarbonylContact O-C 3.59Å; C629-V689 WeakPolarHBondContact O-CA 3.45Å; T687-V689 WeakPolarHBondContact O-CG2 3.03Å; T687-V689 PolarHBondContact O-N 3.16Å; V689-L691 HydrophobicContact CG1-CD2 4.32Å; V689-L691 HydrophobicContact CG1-CG 4.18Å; V689-L712 HydrophobicContact CB-CD1 3.77Å; V689-L712 HydrophobicContact CG1-CD1 4.11Å; V689-L712 HydrophobicContact CG2-CD1 3.71Å; V689-P718 PolarHBondContact N-O 3.16Å; V689-V719 HydrophobicContact CB-CG2 4.23Å; V689-V719 VanDerWaalsContact O-CA 3.24Å; V689-V719 WeakPolarHBondContact O-CA 3.24Å; V689-V719 WeakPolarHBondContact O-CG2 3.44Å; V689-R720 PolarHBondContact O-N 2.83Å; V689-W747 VanDerWaalsContact O-CZ2 3.3Å; V689-W747 WeakPolarHBondContact O-CZ2 3.39Å
690	L	98.9	Very high	98.2	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125.1	163.3	179.1	66.5	0	0	0	109.6	C629 V630 A631 T692 R720 L722 N743 I744 W747	C629-L690 PolarHBondContact O-N 2.93Å; V630-L690 CarbonylContact C-O 3.53Å; V630-L690 WeakPolarHBondContact CA-O 3.25Å; V630-L690 HydrophobicContact CG1-CD2 4.49Å; V630-L690 HydrophobicContact CG2-CB 4.22Å; V630-L690 HydrophobicContact CG2-CD2 4.37Å; A631-L690 PolarHBondContact N-O 3.46Å; L690-T692 HydrophobicContact CD2-CG2 4.48Å; L690-T692 HydrophobicContact CG-CG2 4.36Å; L690-R720 WeakPolarHBondContact CA-O 3.45Å; L690-R720 HydrophobicContact CD1-CB 3.94Å; L690-R720 HydrophobicContact CD1-CG 4.01Å; L690-L722 HydrophobicContact CD1-CD1 4.18Å; L690-L722 HydrophobicContact CD1-CG 4.03Å; L690-N743 HydrophobicContact CD2-CB 4.38Å; L690-I744 HydrophobicContact CD2-CG1 3.94Å; L690-W747 HydrophobicContact CB-CB 4.38Å; L690-W747 HydrophobicContact CB-CD2 3.8Å; L690-W747 HydrophobicContact CB-CE3 4.46Å; L690-W747 HydrophobicContact CB-CG 3.73Å; L690-W747 HydrophobicContact CD2-CB 3.95Å; L690-W747 HydrophobicContact CD2-CG 4.22Å
691	L	98.9	Very high	98.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.9	172.6	-67.6	164.5	0	0	0	109.7	A631 P634 V689 Y708 Y709 V719 R720 L721 L722	A631-L691 HydrophobicContact CB-CD2 3.88Å; A631-L691 WeakPolarHBondContact O-CA 3.33Å; P634-L691 HydrophobicContact CG-CD2 3.84Å; V689-L691 HydrophobicContact CG1-CD2 4.32Å; V689-L691 HydrophobicContact CG1-CG 4.18Å; L691-Y708 HydrophobicContact CD2-CD1 4.44Å; L691-Y709 HydrophobicContact CD1-CD2 4.36Å; L691-V719 HydrophobicContact CD1-CG2 4.11Å; L691-R720 PolarHBondContact N-O 2.98Å; L691-L721 HydrophobicContact CB-CB 4.26Å; L691-L721 HydrophobicContact CB-CG 4.13Å; L691-L721 HydrophobicContact CD1-CD1 4.36Å; L691-L721 CarbonylContact O-C 3.56Å; L691-L721 WeakPolarHBondContact O-CA 3.33Å; L691-L722 PolarHBondContact O-N 3.09Å
692	T	98.7	Very high	98.2	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.012	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	115.3	173.3	59.4	0	0	0	0	109.3	A631 R632 N633 L690 L722 Y724	A631-T692 PolarHBondContact O-N 3.47Å; A631-T692 VanDerWaalsContact O-N 3.16Å; R632-T692 WeakPolarHBondContact CA-O 3.23Å; R632-T692 VanDerWaalsContact CA-OG1 3.26Å; R632-T692 WeakPolarHBondContact CA-OG1 3.29Å; R632-T692 VanDerWaalsContact CB-OG1 3.31Å; R632-T692 WeakPolarHBondContact CB-OG1 3.26Å; R632-T692 VanDerWaalsContact CG-OG1 3.3Å; R632-T692 WeakPolarHBondContact CG-OG1 3.38Å; N633-T692 PolarHBondContact N-O 2.84Å; N633-T692 PolarHBondContact OD1-O 3.42Å; L690-T692 HydrophobicContact CD2-CG2 4.48Å; L690-T692 HydrophobicContact CG-CG2 4.36Å; T692-L722 HydrophobicContact CG2-CB 4.29Å; T692-L722 HydrophobicContact CG2-CD1 4.06Å; T692-L722 HydrophobicContact CG2-CG 4.43Å; T692-Y724 HydrophobicContact CG2-CE2 4.32Å
693	L	98.6	Very high	98.1	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.6	-169.2	-53.6	-177.5	0	0	0	112.3	N633 I706 L721 L722 W723 Y724	N633-L693 VanDerWaalsContact OD1-CA 3.22Å; N633-L693 WeakPolarHBondContact OD1-CA 3.44Å; L693-I706 HydrophobicContact CD1-CG1 4.47Å; L693-L721 HydrophobicContact CD1-CD1 3.63Å; L693-L721 HydrophobicContact CD1-CD2 4.16Å; L693-L721 HydrophobicContact CD1-CG 3.96Å; L693-L721 HydrophobicContact CG-CG 4.37Å; L693-L722 PolarHBondContact N-O 2.59Å; L693-W723 HydrophobicContact CB-CE3 4.16Å; L693-W723 HydrophobicContact CD1-CE3 4.21Å; L693-W723 HydrophobicContact CD1-CZ3 4.18Å; L693-Y724 PolarHBondContact O-N 2.99Å
694	G	98.3	Very high	98.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	131.8	168.9	0	0	0	0	0	110.6	N633 D696 N702 N727	N633-G694 PolarHBondContact OD1-N 3.46Å; G694-D696 VanDerWaalsContact C-N 3.31Å; G694-D696 PolarHBondContact O-N 2.86Å; G694-N702 WeakPolarHBondContact O-CB 3.29Å; G694-N727 CarbonylContact C-O 3.58Å; G694-N727 VanDerWaalsContact C-O 3.27Å; G694-N727 VanDerWaalsContact CA-O 3.27Å; G694-N727 WeakPolarHBondContact CA-O 3.17Å
695	E	97.5	Very high	98.1	Very high	82 Å²	82	32.4 Å²	32.4	38%	0.383	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-39.6	178.1	-180	169.1	-126.7	0	0	112.7	N702 W723 Y724 P725 G726 N727	E695-N702 PolarHBondContact O-ND2 2.78Å; E695-W723 HydrophobicContact CB-CZ2 4.22Å; E695-W723 HydrophobicContact CG-CZ2 4.04Å; E695-Y724 PolarHBondContact N-O 3.12Å; E695-P725 WeakPolarHBondContact OE2-CA 3.42Å; E695-P725 WeakPolarHBondContact OE2-CB 3.37Å; E695-G726 PolarHBondContact OE2-N 2.99Å; E695-G726 VanDerWaalsContact OE2-N 3.13Å; E695-N727 PolarHBondContact N-O 3.36Å; E695-N727 VanDerWaalsContact N-O 3.15Å
696	D	96.7	Very high	98.1	Very high	78 Å²	78	34.4 Å²	34.4	42%	0.417	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	14.3	-172.6	-65.4	-32.2	0	0	0	113.2	G694 K698 G726 N727	G694-D696 VanDerWaalsContact C-N 3.31Å; G694-D696 PolarHBondContact O-N 2.86Å; D696-K698 PolarHBondContact O-N 3.15Å; D696-K698 VanDerWaalsContact O-N 3.14Å; D696-G726 WeakPolarHBondContact OD2-CA 3.36Å; D696-N727 PolarHBondContact N-O 3.07Å
697	D	97.8	Very high	98	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.032	14%	0.137	C	C	.	.			trans	-61.6	113.9	178.2	-169.9	-19.2	0	0	0	111.2	N633 R699 V700 P701 H729	N633-D697 WeakPolarHBondContact CB-OD2 3.47Å; N633-D697 PolarHBondContact ND2-OD2 3.18Å; N633-D697 PolarHBondContact OD1-OD2 3.49Å; D697-R699 WeakPolarHBondContact OD1-CA 3.45Å; D697-R699 PolarHBondContact OD1-N 3.09Å; D697-V700 PolarHBondContact OD1-N 2.73Å; D697-V700 VanDerWaalsContact OD2-O 3.11Å; D697-P701 WeakPolarHBondContact O-CA 3.37Å; D697-H729 VanDerWaalsContact CG-ND1 3.28Å; D697-H729 WeakPolarHBondContact OD1-CB 3.38Å; D697-H729 IonicContact OD1-CG 3.85Å; D697-H729 IonicContact OD1-ND1 3.98Å; D697-H729 PolarHBondContact OD1-ND1 2.9Å; D697-H729 VanDerWaalsContact OD1-ND1 3.12Å; D697-H729 WeakPolarHBondContact OD2-CA 3.49Å; D697-H729 IonicContact OD2-CE1 3.44Å; D697-H729 IonicContact OD2-CG 3.37Å; D697-H729 IonicContact OD2-ND1 3.33Å; D697-H729 PolarHBondContact OD2-ND1 2.93Å
698	K	96.9	Very high	98	Very high	91 Å²	91	28.3 Å²	28.3	40%	0.396	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-20.1	175.6	-60.6	-60.6	-174	174.4	0	112.4	E236 V239 T645 D646 D696	E236-K698 HydrophobicContact CB-CB 4.33Å; E236-K698 PolarHBondContact OE2-N 3.33Å; V239-K698 HydrophobicContact CG2-CG 4.23Å; T645-K698 WeakPolarHBondContact CA-O 3.16Å; D646-K698 HydrophobicContact CB-CB 4.46Å; D646-K698 PolarHBondContact N-O 3.18Å; D696-K698 PolarHBondContact O-N 3.15Å; D696-K698 VanDerWaalsContact O-N 3.14Å
699	R	97.5	Very high	98	Very high	19 Å²	19	30.9 Å²	30.9	7%	0.072	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-52.7	-177.5	178.9	51	53.5	100.2	8	111.8	E236 K295 C297 T645 D646 D697 H729	E236-R699 HydrophobicContact CB-CB 4.09Å; E236-R699 HydrophobicContact CG-CB 3.96Å; K295-R699 PolarHBondContact O-NH1 3.3Å; K295-R699 VanDerWaalsContact O-NH1 3.14Å; K295-R699 PolarHBondContact O-NH2 3.48Å; C297-R699 PolarHBondContact SG-NH1 2.96Å; T645-R699 PolarHBondContact OG1-O 3.45Å; D646-R699 VanDerWaalsContact OD1-CA 3.29Å; D646-R699 WeakPolarHBondContact OD1-CA 3.49Å; D646-R699 IonicContact OD1-CZ 2.77Å; D646-R699 IonicContact OD1-NE 3.61Å; D646-R699 PolarHBondContact OD1-NE 2.88Å; D646-R699 IonicContact OD1-NH2 3.63Å; D646-R699 IonicContact OD2-CZ 3.59Å; D646-R699 IonicContact OD2-NE 2.79Å; D646-R699 IonicContact OD2-NH2 3.63Å; D646-R699 PolarHBondContact OD2-NH2 3.22Å; D646-R699 VanDerWaalsContact OD2-NH2 3.08Å; D697-R699 WeakPolarHBondContact OD1-CA 3.45Å; D697-R699 PolarHBondContact OD1-N 3.09Å; R699-H729 HydrophobicContact CB-CB 3.81Å; R699-H729 HydrophobicContact CG-CB 4.48Å
700	V	98.3	Very high	98	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.03	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	88.6	171.5	-177.4	0	0	0	0	107.3	P634 V635 M641 D697 N702 Q704 H729	P634-V700 VanDerWaalsContact O-CG1 3.32Å; P634-V700 WeakPolarHBondContact O-CG1 3.29Å; V635-V700 HydrophobicContact CG2-CB 4.44Å; V635-V700 HydrophobicContact CG2-CG1 3.98Å; V635-V700 HydrophobicContact CG2-CG2 3.51Å; M641-V700 HydrophobicContact SD-CG1 4.13Å; M641-V700 HydrophobicContact SD-CG2 4.31Å; D697-V700 PolarHBondContact OD1-N 2.73Å; D697-V700 VanDerWaalsContact OD2-O 3.11Å; V700-N702 PolarHBondContact O-N 3.17Å; V700-Q704 HydrophobicContact CG1-CB 4.07Å; V700-Q704 HydrophobicContact CG1-CG 4Å; V700-H729 WeakPolarHBondContact CG2-CE1 3.22Å
701	P	97.6	Very high	98	Very high	11 Å²	11	38.8 Å²	38.8	7%	0.071	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	131.8	-174.8	-30	36	0	0	0	112.1	S644 D697 K703 Q704	S644-P701 VanDerWaalsContact O-CG 3.25Å; S644-P701 WeakPolarHBondContact O-CG 3.49Å; D697-P701 WeakPolarHBondContact O-CA 3.37Å; P701-K703 PolarHBondContact O-N 2.87Å; P701-Q704 WeakPolarHBondContact O-CB 3.09Å; P701-Q704 WeakPolarHBondContact O-CG 3.15Å; P701-Q704 PolarHBondContact O-N 2.66Å
702	N	97.4	Very high	98	Very high	29 Å²	29	38.8 Å²	38.8	16%	0.155	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-23.3	-175.7	58.9	24.2	0	0	0	115.1	G694 E695 V700 Q704 G705 I706 W723	G694-N702 WeakPolarHBondContact O-CB 3.29Å; E695-N702 PolarHBondContact O-ND2 2.78Å; V700-N702 PolarHBondContact O-N 3.17Å; N702-Q704 PolarHBondContact O-N 2.83Å; N702-G705 PolarHBondContact O-N 2.86Å; N702-G705 VanDerWaalsContact O-N 3.08Å; N702-I706 PolarHBondContact O-N 2.83Å; N702-I706 VanDerWaalsContact O-N 3.11Å; N702-W723 HydrophobicContact CB-CH2 3.7Å; N702-W723 HydrophobicContact CB-CZ3 3.78Å; N702-W723 WeakPolarHBondContact ND2-CH2 3.24Å; N702-W723 WeakPolarHBondContact ND2-CZ2 3.41Å
703	K	97.1	Very high	98	Very high	138 Å²	138	43.2 Å²	43.2	60%	0.6	20%	0.202	S	C	*	.	H	α-helix	trans	-54.9	-31.7	172	-67.4	174.3	-174.9	161.1	0	112.9	P701 I706 E707	P701-K703 PolarHBondContact O-N 2.87Å; K703-I706 PolarHBondContact O-N 2.88Å; K703-E707 VanDerWaalsContact O-CB 3.32Å; K703-E707 WeakPolarHBondContact O-CB 3.43Å; K703-E707 PolarHBondContact O-N 2.62Å
704	Q	98.1	Very high	98	Very high	5 Å²	5	47.3 Å²	47.3	2%	0.023	24%	0.236	C	C	.	.	H	α-helix	trans	-57.5	-52.6	172.2	-71.8	-66.3	-56.4	0	0	111.1	V636 N637 S640 M641 V700 P701 N702 I706 E707 Y708	V636-Q704 HydrophobicContact CG2-CB 4.01Å; V636-Q704 WeakPolarHBondContact CG2-O 3.27Å; V636-Q704 VanDerWaalsContact CG2-OE1 3.26Å; V636-Q704 VanDerWaalsContact N-OE1 3.11Å; N637-Q704 PolarHBondContact O-NE2 2.88Å; N637-Q704 PolarHBondContact O-OE1 3.36Å; S640-Q704 PolarHBondContact OG-NE2 2.81Å; M641-Q704 HydrophobicContact CB-CG 4.4Å; M641-Q704 HydrophobicContact CG-CG 4.27Å; M641-Q704 HydrophobicContact SD-CG 4.34Å; V700-Q704 HydrophobicContact CG1-CB 4.07Å; V700-Q704 HydrophobicContact CG1-CG 4Å; P701-Q704 WeakPolarHBondContact O-CB 3.09Å; P701-Q704 WeakPolarHBondContact O-CG 3.15Å; P701-Q704 PolarHBondContact O-N 2.66Å; N702-Q704 PolarHBondContact O-N 2.83Å; Q704-I706 VanDerWaalsContact C-N 3.34Å; Q704-I706 PolarHBondContact O-N 2.95Å; Q704-E707 WeakPolarHBondContact O-CB 3.34Å; Q704-E707 PolarHBondContact O-N 2.92Å; Q704-Y708 PolarHBondContact O-N 2.81Å; Q704-Y708 VanDerWaalsContact O-N 3.11Å
705	G	97.9	Very high	97.9	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-63.2	-38.1	176.7	0	0	0	0	0	113.2	N702 Y708 Y709	N702-G705 PolarHBondContact O-N 2.86Å; N702-G705 VanDerWaalsContact O-N 3.08Å; G705-Y708 PolarHBondContact O-N 2.96Å; G705-Y709 VanDerWaalsContact O-CB 3.32Å; G705-Y709 WeakPolarHBondContact O-CB 3.5Å; G705-Y709 PolarHBondContact O-N 3.48Å
706	I	98.2	Very high	97.9	Very high	50 Å²	50	56.7 Å²	56.7	26%	0.256	28%	0.278	S	S	.	.	H	α-helix	trans	-64.2	-42	175.3	-64.1	171.7	0	0	0	111.4	L693 N702 K703 Q704 Y709 K710 W723	L693-I706 HydrophobicContact CD1-CG1 4.47Å; N702-I706 PolarHBondContact O-N 2.83Å; N702-I706 VanDerWaalsContact O-N 3.11Å; K703-I706 PolarHBondContact O-N 2.88Å; Q704-I706 VanDerWaalsContact C-N 3.34Å; Q704-I706 PolarHBondContact O-N 2.95Å; I706-Y709 PolarHBondContact O-N 2.58Å; I706-K710 HydrophobicContact CG2-CD 4.13Å; I706-K710 HydrophobicContact CG2-CG 4.5Å; I706-K710 WeakPolarHBondContact O-CG 3.42Å; I706-K710 PolarHBondContact O-N 2.83Å; I706-W723 HydrophobicContact CD1-CH2 3.97Å; I706-W723 HydrophobicContact CD1-CZ3 3.7Å; I706-W723 HydrophobicContact CG1-CZ3 4.04Å
707	E	98.1	Very high	98	Very high	58 Å²	58	54 Å²	54	27%	0.271	26%	0.264	S	S	.	.	H	α-helix	trans	-56.7	-50.5	176.7	-174.5	-179	169.8	0	0	110.1	N637 S640 I679 K703 Q704 K710 A711	N637-E707 PolarHBondContact ND2-OE1 2.83Å; S640-E707 PolarHBondContact OG-OE2 3.1Å; I679-E707 HydrophobicContact CD1-CG 3.64Å; I679-E707 WeakPolarHBondContact CD1-OE1 3.42Å; K703-E707 VanDerWaalsContact O-CB 3.32Å; K703-E707 WeakPolarHBondContact O-CB 3.43Å; K703-E707 PolarHBondContact O-N 2.62Å; Q704-E707 WeakPolarHBondContact O-CB 3.34Å; Q704-E707 PolarHBondContact O-N 2.92Å; E707-K710 PolarHBondContact O-N 3.13Å; E707-A711 PolarHBondContact O-N 3.3Å; E707-A711 VanDerWaalsContact O-N 3.11Å
708	Y	98.7	Very high	98.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.9	-43.4	178.2	-156.7	-113.3	0	0	0	112.8	C616 V636 V682 L691 Q704 G705 K710 A711 L712	C616-Y708 HydrophobicContact CB-CE1 4.32Å; C616-Y708 HydrophobicContact CB-CE2 4.32Å; C616-Y708 VanDerWaalsContact SG-CE1 3.55Å; V636-Y708 HydrophobicContact CB-CD2 4.04Å; V636-Y708 HydrophobicContact CB-CG 4.37Å; V636-Y708 HydrophobicContact CG1-CD2 4.03Å; V636-Y708 HydrophobicContact CG1-CG 3.95Å; V682-Y708 HydrophobicContact CG2-CD2 3.81Å; V682-Y708 HydrophobicContact CG2-CE2 3.27Å; L691-Y708 HydrophobicContact CD2-CD1 4.44Å; Q704-Y708 PolarHBondContact O-N 2.81Å; Q704-Y708 VanDerWaalsContact O-N 3.11Å; G705-Y708 PolarHBondContact O-N 2.96Å; Y708-K710 VanDerWaalsContact C-N 3.32Å; Y708-K710 PolarHBondContact O-N 2.97Å; Y708-A711 PolarHBondContact O-N 3.35Å; Y708-L712 HydrophobicContact CD1-CD1 3.53Å; Y708-L712 HydrophobicContact CD1-CG 4.03Å; Y708-L712 HydrophobicContact CE1-CD1 3.51Å; Y708-L712 HydrophobicContact CE1-CD2 4.19Å; Y708-L712 HydrophobicContact CE1-CG 3.97Å; Y708-L712 HydrophobicContact CG-CD1 4.46Å; Y708-L712 WeakPolarHBondContact O-CG 2.9Å; Y708-L712 PolarHBondContact O-N 2.76Å
709	Y	98.8	Very high	98.1	Very high	72 Å²	72	53 Å²	53	28%	0.282	27%	0.267	S	S	.	.	H	α-helix	trans	-54.2	-47.6	176.2	174.7	-98.2	0	0	0	111.8	L691 G705 I706 L712 K713 V719 L721	L691-Y709 HydrophobicContact CD1-CD2 4.36Å; G705-Y709 VanDerWaalsContact O-CB 3.32Å; G705-Y709 WeakPolarHBondContact O-CB 3.5Å; G705-Y709 PolarHBondContact O-N 3.48Å; I706-Y709 PolarHBondContact O-N 2.58Å; Y709-L712 PolarHBondContact O-N 2.83Å; Y709-K713 HydrophobicContact CD1-CG 4.3Å; Y709-K713 HydrophobicContact CE1-CG 3.91Å; Y709-K713 HydrophobicContact CE2-CG 4.21Å; Y709-K713 WeakPolarHBondContact O-CB 3.37Å; Y709-K713 WeakPolarHBondContact O-CG 3.22Å; Y709-K713 PolarHBondContact O-N 3.34Å; Y709-K713 WeakPolarHBondContact OH-CE 3.33Å; Y709-V719 HydrophobicContact CD2-CB 4.4Å; Y709-V719 HydrophobicContact CD2-CG1 3.84Å; Y709-V719 HydrophobicContact CD2-CG2 3.67Å; Y709-V719 HydrophobicContact CE2-CG1 3.82Å; Y709-V719 HydrophobicContact CE2-CG2 4.2Å; Y709-L721 HydrophobicContact CD2-CB 3.76Å; Y709-L721 HydrophobicContact CD2-CD1 4.1Å; Y709-L721 HydrophobicContact CE2-CB 3.98Å; Y709-L721 HydrophobicContact CG-CB 4.43Å; Y709-L721 HydrophobicContact CG-CD1 3.94Å
710	K	98.7	Very high	98.2	Very high	139 Å²	139	57.4 Å²	57.4	60%	0.604	28%	0.284	S	S	*	.	H	α-helix	trans	-65.5	-41.7	179	-72.6	176.3	179	177	0	111.7	I706 E707 Y708 K713 A714	I706-K710 HydrophobicContact CG2-CD 4.13Å; I706-K710 HydrophobicContact CG2-CG 4.5Å; I706-K710 WeakPolarHBondContact O-CG 3.42Å; I706-K710 PolarHBondContact O-N 2.83Å; E707-K710 PolarHBondContact O-N 3.13Å; Y708-K710 VanDerWaalsContact C-N 3.32Å; Y708-K710 PolarHBondContact O-N 2.97Å; K710-K713 PolarHBondContact O-N 2.61Å; K710-A714 WeakPolarHBondContact O-CB 3.42Å; K710-A714 PolarHBondContact O-N 2.76Å
711	A	98.5	Very high	98.2	Very high	27 Å²	27	59.4 Å²	59.4	22%	0.223	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-43.8	177.5	0	0	0	0	0	111.9	V682 E707 Y708 A714 K715	V682-A711 HydrophobicContact CG1-CB 3.95Å; V682-A711 HydrophobicContact CG2-CB 4.33Å; E707-A711 PolarHBondContact O-N 3.3Å; E707-A711 VanDerWaalsContact O-N 3.11Å; Y708-A711 PolarHBondContact O-N 3.35Å; A711-A714 PolarHBondContact O-N 2.98Å; A711-K715 PolarHBondContact O-N 3.21Å
712	L	98.8	Very high	98.3	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65	-42.4	174.9	-69.7	176	0	0	0	112.6	V682 V685 V689 Y708 Y709 A714 K715 Q716 I717 V719	V682-L712 HydrophobicContact CG1-CD2 4.44Å; V685-L712 HydrophobicContact CB-CD2 4.23Å; V685-L712 HydrophobicContact CG1-CD2 3.8Å; V689-L712 HydrophobicContact CB-CD1 3.77Å; V689-L712 HydrophobicContact CG1-CD1 4.11Å; V689-L712 HydrophobicContact CG2-CD1 3.71Å; Y708-L712 HydrophobicContact CD1-CD1 3.53Å; Y708-L712 HydrophobicContact CD1-CG 4.03Å; Y708-L712 HydrophobicContact CE1-CD1 3.51Å; Y708-L712 HydrophobicContact CE1-CD2 4.19Å; Y708-L712 HydrophobicContact CE1-CG 3.97Å; Y708-L712 HydrophobicContact CG-CD1 4.46Å; Y708-L712 WeakPolarHBondContact O-CG 2.9Å; Y708-L712 PolarHBondContact O-N 2.76Å; Y709-L712 PolarHBondContact O-N 2.83Å; L712-A714 VanDerWaalsContact C-N 3.35Å; L712-A714 PolarHBondContact O-N 3.36Å; L712-K715 CarbonylContact O-C 3.54Å; L712-K715 WeakPolarHBondContact O-CA 3.35Å; L712-K715 WeakPolarHBondContact O-CB 3.11Å; L712-K715 PolarHBondContact O-N 3.49Å; L712-K715 VanDerWaalsContact O-N 3.12Å; L712-Q716 PolarHBondContact O-N 3.43Å; L712-Q716 VanDerWaalsContact O-N 3.11Å; L712-I717 HydrophobicContact CB-CB 4.27Å; L712-I717 HydrophobicContact CD2-CB 4.14Å; L712-I717 HydrophobicContact CD2-CG1 4.16Å; L712-I717 HydrophobicContact CD2-CG2 4.23Å; L712-I717 PolarHBondContact O-N 2.95Å; L712-V719 HydrophobicContact CB-CB 4.2Å; L712-V719 HydrophobicContact CB-CG1 4.04Å; L712-V719 HydrophobicContact CB-CG2 4.46Å; L712-V719 HydrophobicContact CD1-CB 4.12Å; L712-V719 HydrophobicContact CD1-CG2 3.76Å
713	K	98.4	Very high	98.3	Very high	96 Å²	96	62.7 Å²	62.7	42%	0.417	30%	0.304	S	S	.	.	H	α-helix	trans	-60.9	-42.2	175	-78.3	-62	-168.7	-164	0	112.1	Y709 K710 K715 Q716 V719	Y709-K713 HydrophobicContact CD1-CG 4.3Å; Y709-K713 HydrophobicContact CE1-CG 3.91Å; Y709-K713 HydrophobicContact CE2-CG 4.21Å; Y709-K713 WeakPolarHBondContact O-CB 3.37Å; Y709-K713 WeakPolarHBondContact O-CG 3.22Å; Y709-K713 PolarHBondContact O-N 3.34Å; Y709-K713 WeakPolarHBondContact OH-CE 3.33Å; K710-K713 PolarHBondContact O-N 2.61Å; K713-K715 PolarHBondContact O-N 2.91Å; K713-Q716 PolarHBondContact O-N 3.25Å; K713-V719 HydrophobicContact CD-CG1 3.58Å; K713-V719 HydrophobicContact CG-CG1 3.7Å; K713-V719 PolarHBondContact NZ-O 2.98Å; K713-V719 VanDerWaalsContact NZ-O 3.11Å
714	A	98.1	Very high	98.3	Very high	87 Å²	87	57 Å²	57	72%	0.719	28%	0.279	S	S	*	.	H	α-helix	trans	-61.1	-31.3	176.1	0	0	0	0	0	112.1	K710 A711 L712 Q716	K710-A714 WeakPolarHBondContact O-CB 3.42Å; K710-A714 PolarHBondContact O-N 2.76Å; A711-A714 PolarHBondContact O-N 2.98Å; L712-A714 VanDerWaalsContact C-N 3.35Å; L712-A714 PolarHBondContact O-N 3.36Å; A714-Q716 VanDerWaalsContact C-N 3.31Å
715	K	97.1	Very high	98.2	Very high	102 Å²	102	60.8 Å²	60.8	44%	0.443	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	1.2	173.4	-79.5	-77.5	-173.7	152.1	0	114.6	V682 P683 A711 L712 K713 I717	V682-K715 HydrophobicContact CG1-CG 4.23Å; P683-K715 VanDerWaalsContact CA-NZ 3.31Å; P683-K715 PolarHBondContact O-NZ 3.04Å; A711-K715 PolarHBondContact O-N 3.21Å; L712-K715 CarbonylContact O-C 3.54Å; L712-K715 WeakPolarHBondContact O-CA 3.35Å; L712-K715 WeakPolarHBondContact O-CB 3.11Å; L712-K715 PolarHBondContact O-N 3.49Å; L712-K715 VanDerWaalsContact O-N 3.12Å; K713-K715 PolarHBondContact O-N 2.91Å; K715-I717 HydrophobicContact CB-CD1 4.42Å; K715-I717 HydrophobicContact CB-CG1 3.85Å; K715-I717 PolarHBondContact O-N 2.77Å
716	Q	98	Very high	98.1	Very high	176 Å²	176	62 Å²	62	82%	0.822	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	27.2	-176.8	-54.1	177.6	2.2	0	0	113.3	L712 K713 A714	L712-Q716 PolarHBondContact O-N 3.43Å; L712-Q716 VanDerWaalsContact O-N 3.11Å; K713-Q716 PolarHBondContact O-N 3.25Å; A714-Q716 VanDerWaalsContact C-N 3.31Å
717	I	98.5	Very high	98	Very high	21 Å²	21	59.8 Å²	59.8	11%	0.108	31%	0.305	C	S	.	.			trans	-73.9	135.7	172.6	-55	-52.4	0	0	0	108.6	V685 T687 L712 K715 V719	V685-I717 HydrophobicContact CG1-CG1 4.48Å; V685-I717 HydrophobicContact CG1-CG2 4.3Å; V685-I717 WeakPolarHBondContact O-CD1 3.34Å; T687-I717 VanDerWaalsContact O-CG2 3.3Å; T687-I717 WeakPolarHBondContact O-CG2 3.26Å; L712-I717 HydrophobicContact CB-CB 4.27Å; L712-I717 HydrophobicContact CD2-CB 4.14Å; L712-I717 HydrophobicContact CD2-CG1 4.16Å; L712-I717 HydrophobicContact CD2-CG2 4.23Å; L712-I717 PolarHBondContact O-N 2.95Å; K715-I717 HydrophobicContact CB-CD1 4.42Å; K715-I717 HydrophobicContact CB-CG1 3.85Å; K715-I717 PolarHBondContact O-N 2.77Å; I717-V719 PolarHBondContact O-N 3.22Å
718	P	98.6	Very high	97.9	Very high	67 Å²	67	59.3 Å²	59.3	44%	0.435	30%	0.304	S	S	.	.			trans	-57.6	112.6	171.2	-24.4	34.8	0	0	0	110.1	P688 V689	P688-P718 CarbonylContact C-O 3.55Å; P688-P718 VanDerWaalsContact CA-O 3.27Å; P688-P718 WeakPolarHBondContact CA-O 3.26Å; P688-P718 HydrophobicContact CB-CB 4.07Å; P688-P718 HydrophobicContact CG-CB 4.25Å; P688-P718 HydrophobicContact CG-CG 4.32Å; V689-P718 PolarHBondContact N-O 3.16Å
719	V	98.8	Very high	97.8	Very high	10 Å²	10	60.5 Å²	60.5	6%	0.061	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	134.2	-179.7	63.6	0	0	0	0	110.6	V689 L691 Y709 L712 K713 I717	V689-V719 HydrophobicContact CB-CG2 4.23Å; V689-V719 VanDerWaalsContact O-CA 3.24Å; V689-V719 WeakPolarHBondContact O-CA 3.24Å; V689-V719 WeakPolarHBondContact O-CG2 3.44Å; L691-V719 HydrophobicContact CD1-CG2 4.11Å; Y709-V719 HydrophobicContact CD2-CB 4.4Å; Y709-V719 HydrophobicContact CD2-CG1 3.84Å; Y709-V719 HydrophobicContact CD2-CG2 3.67Å; Y709-V719 HydrophobicContact CE2-CG1 3.82Å; Y709-V719 HydrophobicContact CE2-CG2 4.2Å; L712-V719 HydrophobicContact CB-CB 4.2Å; L712-V719 HydrophobicContact CB-CG1 4.04Å; L712-V719 HydrophobicContact CB-CG2 4.46Å; L712-V719 HydrophobicContact CD1-CB 4.12Å; L712-V719 HydrophobicContact CD1-CG2 3.76Å; K713-V719 HydrophobicContact CD-CG1 3.58Å; K713-V719 HydrophobicContact CG-CG1 3.7Å; K713-V719 PolarHBondContact NZ-O 2.98Å; K713-V719 VanDerWaalsContact NZ-O 3.11Å; I717-V719 PolarHBondContact O-N 3.22Å
720	R	98.7	Very high	97.5	Very high	112 Å²	112	59.6 Å²	59.6	42%	0.423	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	141.2	172	-176.6	175.1	178.5	-153.5	-8	108.9	V689 L690 L691 L722 N743 W747	V689-R720 PolarHBondContact O-N 2.83Å; L690-R720 WeakPolarHBondContact CA-O 3.45Å; L690-R720 HydrophobicContact CD1-CB 3.94Å; L690-R720 HydrophobicContact CD1-CG 4.01Å; L691-R720 PolarHBondContact N-O 2.98Å; R720-L722 HydrophobicContact CG-CD2 4.41Å; R720-N743 VanDerWaalsContact CZ-OD1 3.22Å; R720-N743 PolarHBondContact NH1-OD1 3.25Å; R720-N743 PolarHBondContact NH2-OD1 2.84Å; R720-W747 HydrophobicContact CB-CE3 4.43Å; R720-W747 HydrophobicContact CB-CH2 4.02Å; R720-W747 HydrophobicContact CB-CZ3 3.71Å
721	L	98.7	Very high	97.3	Very high	46 Å²	46	53.5 Å²	53.5	24%	0.241	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	125.1	177.4	-175.8	159.9	0	0	0	108.5	L691 L693 Y709 W723	L691-L721 HydrophobicContact CB-CB 4.26Å; L691-L721 HydrophobicContact CB-CG 4.13Å; L691-L721 HydrophobicContact CD1-CD1 4.36Å; L691-L721 CarbonylContact O-C 3.56Å; L691-L721 WeakPolarHBondContact O-CA 3.33Å; L693-L721 HydrophobicContact CD1-CD1 3.63Å; L693-L721 HydrophobicContact CD1-CD2 4.16Å; L693-L721 HydrophobicContact CD1-CG 3.96Å; L693-L721 HydrophobicContact CG-CG 4.37Å; Y709-L721 HydrophobicContact CD2-CB 3.76Å; Y709-L721 HydrophobicContact CD2-CD1 4.1Å; Y709-L721 HydrophobicContact CE2-CB 3.98Å; Y709-L721 HydrophobicContact CG-CB 4.43Å; Y709-L721 HydrophobicContact CG-CD1 3.94Å; L721-W723 HydrophobicContact CD2-CB 4.07Å; L721-W723 HydrophobicContact CD2-CE3 4.14Å
722	L	98.6	Very high	97	Very high	17 Å²	17	55.2 Å²	55.2	9%	0.089	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	128.8	169.3	-52.5	-178.1	0	0	0	108.3	L690 L691 T692 L693 R720 Y724 N743	L690-L722 HydrophobicContact CD1-CD1 4.18Å; L690-L722 HydrophobicContact CD1-CG 4.03Å; L691-L722 PolarHBondContact O-N 3.09Å; T692-L722 HydrophobicContact CG2-CB 4.29Å; T692-L722 HydrophobicContact CG2-CD1 4.06Å; T692-L722 HydrophobicContact CG2-CG 4.43Å; L693-L722 PolarHBondContact N-O 2.59Å; R720-L722 HydrophobicContact CG-CD2 4.41Å; L722-Y724 HydrophobicContact CB-CE2 3.85Å; L722-Y724 VanDerWaalsContact CD1-OH 3.23Å; L722-Y724 WeakPolarHBondContact CD1-OH 3.42Å; L722-N743 HydrophobicContact CD1-CB 3.46Å; L722-N743 VanDerWaalsContact CD1-CB 3.46Å
723	W	97.6	Very high	96.8	Very high	92 Å²	92	59.9 Å²	59.9	35%	0.348	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	121	-179.1	-174.2	-86.4	0	0	0	108	L693 E695 N702 I706 L721 P725	L693-W723 HydrophobicContact CB-CE3 4.16Å; L693-W723 HydrophobicContact CD1-CE3 4.21Å; L693-W723 HydrophobicContact CD1-CZ3 4.18Å; E695-W723 HydrophobicContact CB-CZ2 4.22Å; E695-W723 HydrophobicContact CG-CZ2 4.04Å; N702-W723 HydrophobicContact CB-CH2 3.7Å; N702-W723 HydrophobicContact CB-CZ3 3.78Å; N702-W723 WeakPolarHBondContact ND2-CH2 3.24Å; N702-W723 WeakPolarHBondContact ND2-CZ2 3.41Å; I706-W723 HydrophobicContact CD1-CH2 3.97Å; I706-W723 HydrophobicContact CD1-CZ3 3.7Å; I706-W723 HydrophobicContact CG1-CZ3 4.04Å; L721-W723 HydrophobicContact CD2-CB 4.07Å; L721-W723 HydrophobicContact CD2-CE3 4.14Å; W723-P725 WeakPolarHBondContact O-CD 3.44Å
724	Y	98.1	Very high	96.6	Very high	19 Å²	19	55.4 Å²	55.4	8%	0.075	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	103.6	-176.7	-65.6	-70.7	0	0	0	110.4	T692 L693 E695 L722 N727 L731 A736 D739 G740	T692-Y724 HydrophobicContact CG2-CE2 4.32Å; L693-Y724 PolarHBondContact O-N 2.99Å; E695-Y724 PolarHBondContact N-O 3.12Å; L722-Y724 HydrophobicContact CB-CE2 3.85Å; L722-Y724 VanDerWaalsContact CD1-OH 3.23Å; L722-Y724 WeakPolarHBondContact CD1-OH 3.42Å; Y724-N727 PolarHBondContact O-N 2.8Å; Y724-L731 HydrophobicContact CD2-CD1 4.02Å; Y724-L731 HydrophobicContact CD2-CD2 4.17Å; Y724-L731 HydrophobicContact CE2-CD1 4.32Å; Y724-A736 HydrophobicContact CD1-CB 3.74Å; Y724-A736 HydrophobicContact CD2-CB 4.37Å; Y724-A736 HydrophobicContact CE1-CB 4.26Å; Y724-A736 HydrophobicContact CG-CB 3.81Å; Y724-D739 HydrophobicContact CE1-CB 4.28Å; Y724-D739 WeakPolarHBondContact CE1-OD2 3.11Å; Y724-D739 PolarHBondContact OH-OD2 3.44Å; Y724-G740 VanDerWaalsContact OH-CA 3.25Å; Y724-G740 WeakPolarHBondContact OH-CA 3.41Å; Y724-G740 PolarHBondContact OH-N 3.33Å
725	P	96.6	Very high	96.4	Very high	85 Å²	85	54.3 Å²	54.3	55%	0.552	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	144.9	179.1	-24.5	35.6	0	0	0	112.7	E695 W723 N727	E695-P725 WeakPolarHBondContact OE2-CA 3.42Å; E695-P725 WeakPolarHBondContact OE2-CB 3.37Å; W723-P725 WeakPolarHBondContact O-CD 3.44Å; P725-N727 PolarHBondContact O-N 2.85Å; P725-N727 PolarHBondContact O-ND2 2.9Å
726	G	94.8	Very high	96.4	Very high	26 Å²	26	49.6 Å²	49.6	27%	0.268	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	2.7	178.6	0	0	0	0	0	115.6	E695 D696 K733	E695-G726 PolarHBondContact OE2-N 2.99Å; E695-G726 VanDerWaalsContact OE2-N 3.13Å; D696-G726 WeakPolarHBondContact OD2-CA 3.36Å; G726-K733 WeakPolarHBondContact O-CE 3.24Å; G726-K733 PolarHBondContact O-NZ 2.98Å
727	N	96.1	Very high	96.2	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	23%	0.233	C	C	.	.			trans	-95.7	141.8	-179.3	-87.1	-92.7	0	0	0	110.5	G694 E695 D696 Y724 P725 L731 K733 A736	G694-N727 CarbonylContact C-O 3.58Å; G694-N727 VanDerWaalsContact C-O 3.27Å; G694-N727 VanDerWaalsContact CA-O 3.27Å; G694-N727 WeakPolarHBondContact CA-O 3.17Å; E695-N727 PolarHBondContact N-O 3.36Å; E695-N727 VanDerWaalsContact N-O 3.15Å; D696-N727 PolarHBondContact N-O 3.07Å; Y724-N727 PolarHBondContact O-N 2.8Å; P725-N727 PolarHBondContact O-N 2.85Å; P725-N727 PolarHBondContact O-ND2 2.9Å; N727-L731 HydrophobicContact CB-CD2 3.74Å; N727-K733 VanDerWaalsContact OD1-CB 3.3Å; N727-K733 WeakPolarHBondContact OD1-CB 3.37Å; N727-K733 WeakPolarHBondContact OD1-CG 3.42Å; N727-K733 PolarHBondContact OD1-N 3.41Å; N727-A736 VanDerWaalsContact OD1-CB 3.28Å; N727-A736 WeakPolarHBondContact OD1-CB 3.34Å
728	N	95.4	Very high	96.2	Very high	48 Å²	48	43.9 Å²	43.9	26%	0.257	24%	0.237	S	C	.	.			trans	-98.2	-162.8	-179.9	72.5	10.2	0	0	0	111.7	E236 S730 L731	E236-N728 WeakPolarHBondContact OE1-CB 3.42Å; N728-S730 PolarHBondContact O-N 3.41Å; N728-S730 VanDerWaalsContact O-N 3.12Å; N728-S730 PolarHBondContact OD1-N 2.88Å; N728-S730 PolarHBondContact OD1-OG 3.09Å; N728-L731 PolarHBondContact O-N 3.37Å
729	H	96.6	Very high	96.1	Very high	26 Å²	26	44.1 Å²	44.1	12%	0.12	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.8	-175.7	-166.7	59.9	0	0	0	114.5	E236 S609 N633 D697 R699 V700	E236-H729 HydrophobicContact CG-CB 3.99Å; E236-H729 WeakPolarHBondContact OE1-CB 3.13Å; E236-H729 PolarHBondContact OE1-N 2.84Å; S609-H729 VanDerWaalsContact CB-NE2 3.3Å; S609-H729 WeakPolarHBondContact CB-NE2 3.48Å; S609-H729 PolarHBondContact OG-NE2 2.78Å; S609-H729 VanDerWaalsContact OG-NE2 3.15Å; N633-H729 WeakPolarHBondContact ND2-CA 3.23Å; N633-H729 PolarHBondContact ND2-O 2.82Å; D697-H729 VanDerWaalsContact CG-ND1 3.28Å; D697-H729 WeakPolarHBondContact OD1-CB 3.38Å; D697-H729 IonicContact OD1-CG 3.85Å; D697-H729 IonicContact OD1-ND1 3.98Å; D697-H729 PolarHBondContact OD1-ND1 2.9Å; D697-H729 VanDerWaalsContact OD1-ND1 3.12Å; D697-H729 WeakPolarHBondContact OD2-CA 3.49Å; D697-H729 IonicContact OD2-CE1 3.44Å; D697-H729 IonicContact OD2-CG 3.37Å; D697-H729 IonicContact OD2-ND1 3.33Å; D697-H729 PolarHBondContact OD2-ND1 2.93Å; R699-H729 HydrophobicContact CB-CB 3.81Å; R699-H729 HydrophobicContact CG-CB 4.48Å; V700-H729 WeakPolarHBondContact CG2-CE1 3.22Å
730	S	92.9	Very high	96	Very high	52 Å²	52	44 Å²	44	36%	0.364	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-27.1	-176.3	67.4	0	0	0	0	113.9	N728 S732	N728-S730 PolarHBondContact O-N 3.41Å; N728-S730 VanDerWaalsContact O-N 3.12Å; N728-S730 PolarHBondContact OD1-N 2.88Å; N728-S730 PolarHBondContact OD1-OG 3.09Å; S730-S732 PolarHBondContact O-N 2.97Å; S730-S732 WeakPolarHBondContact OG-CB 3.4Å; S730-S732 PolarHBondContact OG-N 2.73Å; S730-S732 PolarHBondContact OG-OG 3.3Å
731	L	95.6	Very high	96	Very high	11 Å²	11	39.2 Å²	39.2	6%	0.058	22%	0.217	C	C	.	.			trans	48.8	40.8	-165.3	-57.2	-172.6	0	0	0	113.2	R632 Y724 N727 N728 A736	R632-L731 HydrophobicContact CG-CD1 3.57Å; R632-L731 HydrophobicContact CG-CG 4.34Å; Y724-L731 HydrophobicContact CD2-CD1 4.02Å; Y724-L731 HydrophobicContact CD2-CD2 4.17Å; Y724-L731 HydrophobicContact CE2-CD1 4.32Å; N727-L731 HydrophobicContact CB-CD2 3.74Å; N728-L731 PolarHBondContact O-N 3.37Å; L731-A736 HydrophobicContact CB-CB 4.41Å
732	S	91.7	Very high	96	Very high	64 Å²	64	38.6 Å²	38.6	45%	0.448	21%	0.213	S	C	.	.			trans	-91.5	0.7	-172.7	58.8	0	0	0	0	115.1	S730	S730-S732 PolarHBondContact O-N 2.97Å; S730-S732 WeakPolarHBondContact OG-CB 3.4Å; S730-S732 PolarHBondContact OG-N 2.73Å; S730-S732 PolarHBondContact OG-OG 3.3Å
733	K	94.1	Very high	96	Very high	97 Å²	97	38.6 Å²	38.6	42%	0.422	21%	0.214	S	C	.	.	S	Bend	trans	-65.9	146.9	169.3	-64	-167.3	-174.1	175.7	0	109.5	G726 N727 D735 A736 E737	G726-K733 WeakPolarHBondContact O-CE 3.24Å; G726-K733 PolarHBondContact O-NZ 2.98Å; N727-K733 VanDerWaalsContact OD1-CB 3.3Å; N727-K733 WeakPolarHBondContact OD1-CB 3.37Å; N727-K733 WeakPolarHBondContact OD1-CG 3.42Å; N727-K733 PolarHBondContact OD1-N 3.41Å; K733-D735 VanDerWaalsContact C-N 3.3Å; K733-D735 WeakPolarHBondContact CB-OD1 3.34Å; K733-D735 PolarHBondContact O-N 3.45Å; K733-A736 PolarHBondContact O-N 2.75Å; K733-E737 WeakPolarHBondContact O-CB 3.21Å; K733-E737 PolarHBondContact O-N 3.39Å
734	V	94.5	Very high	96	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.018	20%	0.204	C	C	.	.	H	α-helix	trans	-59.9	-40.7	-171	174.3	0	0	0	0	111.9	R72 L74 N79 S738	R72-V734 HydrophobicContact CB-CG2 4.42Å; R72-V734 HydrophobicContact CG-CG2 4.37Å; L74-V734 HydrophobicContact CD2-CG1 3.72Å; N79-V734 WeakPolarHBondContact OD1-CG2 3.38Å; V734-S738 VanDerWaalsContact O-CB 3.28Å; V734-S738 WeakPolarHBondContact O-CB 3.41Å; V734-S738 PolarHBondContact O-N 3.21Å; V734-S738 PolarHBondContact O-OG 3.44Å
735	D	93.8	Very high	96	Very high	64 Å²	64	34.7 Å²	34.7	34%	0.342	20%	0.201	S	C	.	.	H	α-helix	trans	-62.2	-51.6	174.8	48.1	12	0	0	0	112.3	N77 K733 S738 D739	N77-D735 PolarHBondContact ND2-OD2 2.69Å; N77-D735 VanDerWaalsContact ND2-OD2 3.16Å; N77-D735 WeakPolarHBondContact OD1-CA 3.27Å; N77-D735 VanDerWaalsContact OD1-CB 3.25Å; N77-D735 WeakPolarHBondContact OD1-CB 3.48Å; N77-D735 PolarHBondContact OD1-N 2.88Å; K733-D735 VanDerWaalsContact C-N 3.3Å; K733-D735 WeakPolarHBondContact CB-OD1 3.34Å; K733-D735 PolarHBondContact O-N 3.45Å; D735-S738 PolarHBondContact O-N 2.95Å; D735-S738 PolarHBondContact O-OG 2.89Å; D735-D739 WeakPolarHBondContact O-CB 3.46Å; D735-D739 PolarHBondContact O-N 2.65Å
736	A	96.2	Very high	96.1	Very high	2 Å²	2	33.3 Å²	33.3	2%	0.017	19%	0.188	C	C	.	.	H	α-helix	trans	-64.7	-41.5	-178.6	0	0	0	0	0	112.4	Y724 N727 L731 K733 G740	Y724-A736 HydrophobicContact CD1-CB 3.74Å; Y724-A736 HydrophobicContact CD2-CB 4.37Å; Y724-A736 HydrophobicContact CE1-CB 4.26Å; Y724-A736 HydrophobicContact CG-CB 3.81Å; N727-A736 VanDerWaalsContact OD1-CB 3.28Å; N727-A736 WeakPolarHBondContact OD1-CB 3.34Å; L731-A736 HydrophobicContact CB-CB 4.41Å; K733-A736 PolarHBondContact O-N 2.75Å; A736-G740 VanDerWaalsContact O-CA 3.3Å; A736-G740 WeakPolarHBondContact O-CA 3.49Å; A736-G740 PolarHBondContact O-N 2.99Å
737	E	95.6	Very high	96.3	Very high	50 Å²	50	33.1 Å²	33.1	23%	0.234	18%	0.179	C	C	.	.	H	α-helix	trans	-65.7	-46.9	177.9	-172.9	-174	-161.1	0	0	111.2	R72 K733 F741	R72-E737 IonicContact CZ-OE1 2.79Å; R72-E737 IonicContact CZ-OE2 3.95Å; R72-E737 IonicContact NE-OE1 2.78Å; R72-E737 PolarHBondContact NE-OE1 3.42Å; R72-E737 IonicContact NE-OE2 2.93Å; R72-E737 PolarHBondContact NE-OE2 3Å; R72-E737 IonicContact NH2-OE1 3.8Å; R72-E737 PolarHBondContact NH2-OE1 3.18Å; R72-E737 IonicContact NH2-OE2 3.49Å; R72-E737 PolarHBondContact NH2-OE2 2.66Å; K733-E737 WeakPolarHBondContact O-CB 3.21Å; K733-E737 PolarHBondContact O-N 3.39Å; E737-F741 VanDerWaalsContact O-CB 3.31Å; E737-F741 WeakPolarHBondContact O-CB 3.42Å; E737-F741 PolarHBondContact O-N 3.23Å
738	S	96.5	Very high	96.4	Very high	27 Å²	27	33 Å²	33	19%	0.189	18%	0.179	C	C	.	.	H	α-helix	trans	-75.8	-44.8	-175.5	62.6	0	0	0	0	113.3	V734 D735 F741 M742	V734-S738 VanDerWaalsContact O-CB 3.28Å; V734-S738 WeakPolarHBondContact O-CB 3.41Å; V734-S738 PolarHBondContact O-N 3.21Å; V734-S738 PolarHBondContact O-OG 3.44Å; D735-S738 PolarHBondContact O-N 2.95Å; D735-S738 PolarHBondContact O-OG 2.89Å; S738-F741 PolarHBondContact O-N 3.31Å; S738-M742 WeakPolarHBondContact O-CG 3.12Å; S738-M742 PolarHBondContact O-N 3.14Å; S738-M742 VanDerWaalsContact O-N 3.16Å
739	D	97.3	Very high	96.6	Very high	73 Å²	73	31.2 Å²	31.2	39%	0.39	17%	0.169	S	C	.	.	H	α-helix	trans	-65.1	-43.3	173	174.8	78.3	0	0	0	111	Y724 D735 F741 M742 N743	Y724-D739 HydrophobicContact CE1-CB 4.28Å; Y724-D739 WeakPolarHBondContact CE1-OD2 3.11Å; Y724-D739 PolarHBondContact OH-OD2 3.44Å; D735-D739 WeakPolarHBondContact O-CB 3.46Å; D735-D739 PolarHBondContact O-N 2.65Å; D739-F741 PolarHBondContact O-N 2.95Å; D739-M742 PolarHBondContact O-N 3.06Å; D739-N743 PolarHBondContact O-N 3.31Å; D739-N743 PolarHBondContact O-ND2 3.33Å; D739-N743 PolarHBondContact OD1-ND2 3.36Å; D739-N743 PolarHBondContact OD2-ND2 2.8Å; D739-N743 VanDerWaalsContact OD2-ND2 3.1Å
740	G	97.3	Very high	96.7	Very high	6 Å²	6	36.3 Å²	36.3	6%	0.062	19%	0.193	C	C	.	.	H	α-helix	trans	-56.8	-49	176.3	0	0	0	0	0	111.2	Y724 A736 M742 N743 I744	Y724-G740 VanDerWaalsContact OH-CA 3.25Å; Y724-G740 WeakPolarHBondContact OH-CA 3.41Å; Y724-G740 PolarHBondContact OH-N 3.33Å; A736-G740 VanDerWaalsContact O-CA 3.3Å; A736-G740 WeakPolarHBondContact O-CA 3.49Å; A736-G740 PolarHBondContact O-N 2.99Å; G740-M742 PolarHBondContact O-N 3.14Å; G740-N743 PolarHBondContact O-N 3.18Å; G740-I744 VanDerWaalsContact O-CB 3.3Å; G740-I744 WeakPolarHBondContact O-CB 3.48Å; G740-I744 WeakPolarHBondContact O-CD1 2.99Å; G740-I744 WeakPolarHBondContact O-CG1 3.43Å; G740-I744 PolarHBondContact O-N 2.95Å
741	F	98.1	Very high	96.9	Very high	12 Å²	12	36 Å²	36	5%	0.053	19%	0.186	C	C	.	.	H	α-helix	trans	-55.3	-49.7	175.7	177.6	-91.1	0	0	0	112.3	I32 Y36 V547 L548 M551 E737 S738 D739 N743 I744 A745	I32-F741 HydrophobicContact CG2-CE1 3.94Å; Y36-F741 HydrophobicContact CD2-CB 4.1Å; Y36-F741 AromaticContact CD2-CD1 3.27Å; Y36-F741 HydrophobicContact CD2-CD1 3.27Å; Y36-F741 HydrophobicContact CD2-CD2 4.12Å; Y36-F741 AromaticContact CD2-CE1 3.75Å; Y36-F741 HydrophobicContact CD2-CE1 3.75Å; Y36-F741 HydrophobicContact CD2-CE2 4.49Å; Y36-F741 AromaticContact CD2-CG 3.52Å; Y36-F741 HydrophobicContact CD2-CG 3.52Å; Y36-F741 HydrophobicContact CD2-CZ 4.36Å; Y36-F741 HydrophobicContact CE2-CB 3.73Å; Y36-F741 AromaticContact CE2-CD1 3.84Å; Y36-F741 HydrophobicContact CE2-CD1 3.84Å; Y36-F741 HydrophobicContact CE2-CD2 4.14Å; Y36-F741 AromaticContact CE2-CG 3.59Å; Y36-F741 HydrophobicContact CE2-CG 3.59Å; Y36-F741 HydrophobicContact CG-CD1 4.01Å; Y36-F741 HydrophobicContact CG-CE1 4.39Å; V547-F741 HydrophobicContact CB-CE1 4.29Å; V547-F741 HydrophobicContact CB-CE2 3.92Å; V547-F741 HydrophobicContact CB-CZ 3.54Å; V547-F741 HydrophobicContact CG1-CE1 3.58Å; V547-F741 HydrophobicContact CG1-CE2 4.07Å; V547-F741 HydrophobicContact CG1-CZ 3.17Å; V547-F741 HydrophobicContact CG2-CZ 4.42Å; L548-F741 HydrophobicContact CD2-CE2 4.25Å; L548-F741 HydrophobicContact CD2-CZ 4.32Å; L548-F741 HydrophobicContact CG-CE2 4.07Å; L548-F741 HydrophobicContact CG-CZ 4.46Å; M551-F741 HydrophobicContact SD-CZ 4.07Å; E737-F741 VanDerWaalsContact O-CB 3.31Å; E737-F741 WeakPolarHBondContact O-CB 3.42Å; E737-F741 PolarHBondContact O-N 3.23Å; S738-F741 PolarHBondContact O-N 3.31Å; D739-F741 PolarHBondContact O-N 2.95Å; F741-N743 PolarHBondContact O-N 3.06Å; F741-I744 PolarHBondContact O-N 2.83Å; F741-A745 HydrophobicContact CE1-CB 4.42Å; F741-A745 WeakPolarHBondContact O-CB 3.44Å; F741-A745 PolarHBondContact O-N 3.45Å
742	M	98.3	Very high	97	Very high	33 Å²	33	36 Å²	36	16%	0.163	19%	0.186	C	C	.	.	H	α-helix	trans	-61.2	-47.2	-178.6	-71.8	-57.7	-58.2	0	0	111.9	P29 I32 A33 S738 D739 G740 I744 A745 L746	P29-M742 WeakPolarHBondContact O-CE 3.31Å; I32-M742 HydrophobicContact CB-CE 4.07Å; I32-M742 HydrophobicContact CB-SD 4.41Å; I32-M742 HydrophobicContact CG2-CE 3.91Å; I32-M742 HydrophobicContact CG2-SD 3.73Å; A33-M742 HydrophobicContact CB-CE 4.04Å; A33-M742 HydrophobicContact CB-SD 4.1Å; S738-M742 WeakPolarHBondContact O-CG 3.12Å; S738-M742 PolarHBondContact O-N 3.14Å; S738-M742 VanDerWaalsContact O-N 3.16Å; D739-M742 PolarHBondContact O-N 3.06Å; G740-M742 PolarHBondContact O-N 3.14Å; M742-I744 VanDerWaalsContact C-N 3.33Å; M742-I744 PolarHBondContact O-N 3.3Å; M742-A745 PolarHBondContact O-N 2.8Å; M742-L746 WeakPolarHBondContact O-CB 3.38Å; M742-L746 VanDerWaalsContact O-CG 3.23Å; M742-L746 WeakPolarHBondContact O-CG 3.44Å; M742-L746 PolarHBondContact O-N 2.95Å
743	N	98.6	Very high	97.2	Very high	17 Å²	17	36 Å²	36	9%	0.091	20%	0.196	C	C	.	.	H	α-helix	trans	-67.4	-34.4	179.7	-74.8	-85.1	0	0	0	112.3	L690 R720 L722 D739 G740 F741 W747	L690-N743 HydrophobicContact CD2-CB 4.38Å; R720-N743 VanDerWaalsContact CZ-OD1 3.22Å; R720-N743 PolarHBondContact NH1-OD1 3.25Å; R720-N743 PolarHBondContact NH2-OD1 2.84Å; L722-N743 HydrophobicContact CD1-CB 3.46Å; L722-N743 VanDerWaalsContact CD1-CB 3.46Å; D739-N743 PolarHBondContact O-N 3.31Å; D739-N743 PolarHBondContact O-ND2 3.33Å; D739-N743 PolarHBondContact OD1-ND2 3.36Å; D739-N743 PolarHBondContact OD2-ND2 2.8Å; D739-N743 VanDerWaalsContact OD2-ND2 3.1Å; G740-N743 PolarHBondContact O-N 3.18Å; F741-N743 PolarHBondContact O-N 3.06Å; N743-W747 WeakPolarHBondContact O-CB 3.5Å; N743-W747 PolarHBondContact O-N 3Å
744	I	98.4	Very high	97.1	Very high	30 Å²	30	35.2 Å²	35.2	15%	0.154	20%	0.196	C	C	.	.	H	α-helix	trans	-62.2	-51.7	174.2	-73.5	171.4	0	0	0	110.6	V630 L690 G740 F741 M742 L746 W747 I748	V630-I744 HydrophobicContact CG1-CD1 3.84Å; V630-I744 HydrophobicContact CG1-CG1 3.61Å; V630-I744 HydrophobicContact CG1-CG2 4.38Å; V630-I744 HydrophobicContact CG2-CG1 4.44Å; V630-I744 HydrophobicContact CG2-CG2 4.21Å; L690-I744 HydrophobicContact CD2-CG1 3.94Å; G740-I744 VanDerWaalsContact O-CB 3.3Å; G740-I744 WeakPolarHBondContact O-CB 3.48Å; G740-I744 WeakPolarHBondContact O-CD1 2.99Å; G740-I744 WeakPolarHBondContact O-CG1 3.43Å; G740-I744 PolarHBondContact O-N 2.95Å; F741-I744 PolarHBondContact O-N 2.83Å; M742-I744 VanDerWaalsContact C-N 3.33Å; M742-I744 PolarHBondContact O-N 3.3Å; I744-L746 PolarHBondContact O-N 2.74Å; I744-W747 PolarHBondContact O-N 2.79Å; I744-I748 HydrophobicContact CG2-CD1 4.08Å; I744-I748 WeakPolarHBondContact O-CG1 3.41Å; I744-I748 PolarHBondContact O-N 3.07Å
745	A	98.6	Very high	97.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58.2	-48.5	179.2	0	0	0	0	0	111.3	I32 M551 F741 M742 I748 I749	I32-A745 HydrophobicContact CG2-CB 4.38Å; M551-A745 HydrophobicContact CE-CB 3.76Å; M551-A745 HydrophobicContact SD-CB 4.3Å; F741-A745 HydrophobicContact CE1-CB 4.42Å; F741-A745 WeakPolarHBondContact O-CB 3.44Å; F741-A745 PolarHBondContact O-N 3.45Å; M742-A745 PolarHBondContact O-N 2.8Å; A745-I748 PolarHBondContact O-N 2.89Å; A745-I749 WeakPolarHBondContact O-CD1 3.09Å; A745-I749 VanDerWaalsContact O-CG1 3.28Å; A745-I749 WeakPolarHBondContact O-CG1 3.47Å; A745-I749 PolarHBondContact O-N 2.99Å
746	L	98.6	Very high	97.4	Very high	56 Å²	56	35.4 Å²	35.4	29%	0.293	20%	0.198	S	C	.	.	H	α-helix	trans	-67.2	-37.1	-178.7	-66.3	173.9	0	0	0	112.8	P29 I32 M742 I744 I749 Q750	P29-L746 HydrophobicContact CB-CD2 4.32Å; P29-L746 HydrophobicContact CG-CD2 3.91Å; I32-L746 HydrophobicContact CD1-CD2 4.13Å; M742-L746 WeakPolarHBondContact O-CB 3.38Å; M742-L746 VanDerWaalsContact O-CG 3.23Å; M742-L746 WeakPolarHBondContact O-CG 3.44Å; M742-L746 PolarHBondContact O-N 2.95Å; I744-L746 PolarHBondContact O-N 2.74Å; L746-I749 HydrophobicContact CD2-CD1 4.5Å; L746-I749 PolarHBondContact O-N 3.16Å; L746-Q750 WeakPolarHBondContact O-CB 3.17Å; L746-Q750 PolarHBondContact O-N 3.11Å
747	W	98.8	Very high	97.4	Very high	21 Å²	21	37.2 Å²	37.2	8%	0.08	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-45.5	174.8	-174.6	-98.1	0	0	0	111.7	C629 P688 V689 L690 R720 N743 I744 Q750 H751	C629-W747 PolarHBondContact O-NE1 2.91Å; P688-W747 HydrophobicContact CB-CZ2 3.65Å; P688-W747 PolarHBondContact O-NE1 2.93Å; V689-W747 VanDerWaalsContact O-CZ2 3.3Å; V689-W747 WeakPolarHBondContact O-CZ2 3.39Å; L690-W747 HydrophobicContact CB-CB 4.38Å; L690-W747 HydrophobicContact CB-CD2 3.8Å; L690-W747 HydrophobicContact CB-CE3 4.46Å; L690-W747 HydrophobicContact CB-CG 3.73Å; L690-W747 HydrophobicContact CD2-CB 3.95Å; L690-W747 HydrophobicContact CD2-CG 4.22Å; R720-W747 HydrophobicContact CB-CE3 4.43Å; R720-W747 HydrophobicContact CB-CH2 4.02Å; R720-W747 HydrophobicContact CB-CZ3 3.71Å; N743-W747 WeakPolarHBondContact O-CB 3.5Å; N743-W747 PolarHBondContact O-N 3Å; I744-W747 PolarHBondContact O-N 2.79Å; W747-Q750 PolarHBondContact O-N 3.29Å; W747-H751 AromaticContact CD1-CD2 3.98Å; W747-H751 AromaticContact CD2-CD2 3.55Å; W747-H751 AromaticContact CD2-NE2 3.77Å; W747-H751 AromaticContact CE2-CD2 3.38Å; W747-H751 AromaticContact CE2-NE2 3.55Å; W747-H751 AromaticContact CE3-NE2 3.82Å; W747-H751 AromaticContact CG-CD2 3.94Å; W747-H751 AromaticContact CH2-NE2 3.49Å; W747-H751 WeakPolarHBondContact CH2-NE2 3.47Å; W747-H751 AromaticContact CZ2-CD2 3.74Å; W747-H751 AromaticContact CZ2-NE2 3.42Å; W747-H751 WeakPolarHBondContact CZ2-NE2 3.09Å; W747-H751 AromaticContact CZ3-NE2 3.69Å; W747-H751 AromaticContact NE1-CD2 3.65Å; W747-H751 WeakPolarHBondContact O-CB 3.39Å; W747-H751 PolarHBondContact O-CD2 3.17Å; W747-H751 VanDerWaalsContact O-CD2 3.24Å; W747-H751 PolarHBondContact O-N 3.15Å; W747-H751 VanDerWaalsContact O-N 3.1Å
748	I	98.7	Very high	97.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-49.9	177.1	-68.7	172.3	0	0	0	110	I526 F553 A604 A628 V630 I744 A745 Q750 H751 L752	I526-I748 HydrophobicContact CD1-CD1 3.89Å; I526-I748 HydrophobicContact CD1-CG2 4.26Å; I526-I748 HydrophobicContact CG1-CD1 4.26Å; I526-I748 HydrophobicContact CG1-CG2 4.35Å; I526-I748 HydrophobicContact CG2-CD1 4.31Å; F553-I748 HydrophobicContact CE1-CG2 3.96Å; F553-I748 HydrophobicContact CZ-CG2 4.06Å; A604-I748 HydrophobicContact CB-CD1 4.2Å; A604-I748 HydrophobicContact CB-CG1 4.03Å; A604-I748 HydrophobicContact CB-CG2 3.84Å; A628-I748 HydrophobicContact CB-CG1 4.42Å; V630-I748 HydrophobicContact CG2-CD1 4.38Å; V630-I748 HydrophobicContact CG2-CG1 4.27Å; I744-I748 HydrophobicContact CG2-CD1 4.08Å; I744-I748 WeakPolarHBondContact O-CG1 3.41Å; I744-I748 PolarHBondContact O-N 3.07Å; A745-I748 PolarHBondContact O-N 2.89Å; I748-Q750 VanDerWaalsContact C-N 3.33Å; I748-Q750 PolarHBondContact O-N 3.42Å; I748-H751 PolarHBondContact O-N 3.17Å; I748-L752 HydrophobicContact CG2-CD1 3.62Å; I748-L752 HydrophobicContact CG2-CG 3.91Å; I748-L752 WeakPolarHBondContact O-CB 3.3Å; I748-L752 VanDerWaalsContact O-CG 3.25Å; I748-L752 WeakPolarHBondContact O-CG 3.39Å; I748-L752 PolarHBondContact O-N 3.19Å
749	I	98.4	Very high	97.6	Very high	12 Å²	12	37.1 Å²	37.1	6%	0.062	21%	0.207	C	C	.	.	H	α-helix	trans	-54	-50.3	178.3	-72.3	159.3	0	0	0	111.3	V25 T27 I32 M551 F553 A745 L746 H751 G753 L754	V25-I749 HydrophobicContact CG1-CG1 4.5Å; T27-I749 HydrophobicContact CG2-CD1 4.48Å; T27-I749 HydrophobicContact CG2-CG1 4.36Å; T27-I749 HydrophobicContact CG2-CG2 3.64Å; I32-I749 HydrophobicContact CD1-CD1 3.64Å; M551-I749 HydrophobicContact CE-CD1 3.83Å; F553-I749 HydrophobicContact CZ-CG1 4.08Å; A745-I749 WeakPolarHBondContact O-CD1 3.09Å; A745-I749 VanDerWaalsContact O-CG1 3.28Å; A745-I749 WeakPolarHBondContact O-CG1 3.47Å; A745-I749 PolarHBondContact O-N 2.99Å; L746-I749 HydrophobicContact CD2-CD1 4.5Å; L746-I749 PolarHBondContact O-N 3.16Å; I749-H751 VanDerWaalsContact C-N 3.34Å; I749-H751 PolarHBondContact O-N 3.12Å; I749-G753 PolarHBondContact O-N 2.87Å; I749-L754 HydrophobicContact CG2-CB 4.21Å; I749-L754 PolarHBondContact O-N 3.11Å
750	Q	98.3	Very high	97.6	Very high	132 Å²	132	34.7 Å²	34.7	62%	0.617	20%	0.195	S	C	*	.	H	α-helix	trans	-58.1	-45.7	-179.4	178.5	-179.9	-5.9	0	0	112	L746 W747 I748 G753	L746-Q750 WeakPolarHBondContact O-CB 3.17Å; L746-Q750 PolarHBondContact O-N 3.11Å; W747-Q750 PolarHBondContact O-N 3.29Å; I748-Q750 VanDerWaalsContact C-N 3.33Å; I748-Q750 PolarHBondContact O-N 3.42Å; Q750-G753 PolarHBondContact O-N 2.99Å
751	H	98.4	Very high	97.7	Very high	45 Å²	45	36.7 Å²	36.7	21%	0.208	21%	0.205	C	C	.	.	H	α-helix	trans	-90.7	-12.4	-171.7	-70.8	-60.5	0	0	0	114.5	A628 P688 W747 I748 I749 G753	A628-H751 HydrophobicContact CB-CB 3.73Å; P688-H751 WeakPolarHBondContact CG-ND1 3.42Å; W747-H751 AromaticContact CD1-CD2 3.98Å; W747-H751 AromaticContact CD2-CD2 3.55Å; W747-H751 AromaticContact CD2-NE2 3.77Å; W747-H751 AromaticContact CE2-CD2 3.38Å; W747-H751 AromaticContact CE2-NE2 3.55Å; W747-H751 AromaticContact CE3-NE2 3.82Å; W747-H751 AromaticContact CG-CD2 3.94Å; W747-H751 AromaticContact CH2-NE2 3.49Å; W747-H751 WeakPolarHBondContact CH2-NE2 3.47Å; W747-H751 AromaticContact CZ2-CD2 3.74Å; W747-H751 AromaticContact CZ2-NE2 3.42Å; W747-H751 WeakPolarHBondContact CZ2-NE2 3.09Å; W747-H751 AromaticContact CZ3-NE2 3.69Å; W747-H751 AromaticContact NE1-CD2 3.65Å; W747-H751 WeakPolarHBondContact O-CB 3.39Å; W747-H751 PolarHBondContact O-CD2 3.17Å; W747-H751 VanDerWaalsContact O-CD2 3.24Å; W747-H751 PolarHBondContact O-N 3.15Å; W747-H751 VanDerWaalsContact O-N 3.1Å; I748-H751 PolarHBondContact O-N 3.17Å; I749-H751 VanDerWaalsContact C-N 3.34Å; I749-H751 PolarHBondContact O-N 3.12Å; H751-G753 VanDerWaalsContact C-N 3.34Å
752	L	97.7	Very high	97.6	Very high	11 Å²	11	38.6 Å²	38.6	6%	0.058	22%	0.216	C	C	.	.	H	α-helix	trans	-85.8	-6.6	164.7	-62	-166.3	0	0	0	112.9	P524 F553 K602 A604 K627 A628 I748 L754	P524-L752 HydrophobicContact CB-CD1 3.94Å; F553-L752 HydrophobicContact CE1-CD1 4.02Å; K602-L752 HydrophobicContact CB-CD1 4.34Å; A604-L752 HydrophobicContact CB-CD1 4.37Å; A604-L752 HydrophobicContact CB-CD2 4.27Å; K627-L752 HydrophobicContact CB-CD2 3.7Å; K627-L752 HydrophobicContact CG-CD2 4.3Å; A628-L752 HydrophobicContact CB-CD2 4.41Å; I748-L752 HydrophobicContact CG2-CD1 3.62Å; I748-L752 HydrophobicContact CG2-CG 3.91Å; I748-L752 WeakPolarHBondContact O-CB 3.3Å; I748-L752 VanDerWaalsContact O-CG 3.25Å; I748-L752 WeakPolarHBondContact O-CG 3.39Å; I748-L752 PolarHBondContact O-N 3.19Å; L752-L754 HydrophobicContact CB-CD1 3.95Å; L752-L754 HydrophobicContact CB-CG 3.9Å; L752-L754 HydrophobicContact CD1-CD1 4.16Å
753	G	94.4	Very high	97.6	Very high	65 Å²	65	39.1 Å²	39.1	67%	0.67	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.7	41.5	-179.8	0	0	0	0	0	113.2	I749 Q750 H751	I749-G753 PolarHBondContact O-N 2.87Å; Q750-G753 PolarHBondContact O-N 2.99Å; H751-G753 VanDerWaalsContact C-N 3.34Å
754	L	91.9	Very high	97.5	Very high	80 Å²	80	41.1 Å²	41.1	42%	0.419	23%	0.233	S	C	.	.			trans	-94.4	0	-175.6	-69.7	176	0	0	0	114.2	V25 T27 P524 F553 K602 I749 L752	V25-L754 HydrophobicContact CB-CD1 4.13Å; V25-L754 HydrophobicContact CG1-CD1 4.16Å; V25-L754 HydrophobicContact CG2-CD1 3.96Å; T27-L754 HydrophobicContact CG2-CB 4.12Å; P524-L754 HydrophobicContact CB-CD1 4.19Å; P524-L754 HydrophobicContact CG-CD1 4.01Å; F553-L754 HydrophobicContact CE1-CD1 3.68Å; F553-L754 HydrophobicContact CZ-CD1 3.9Å; K602-L754 HydrophobicContact CD-CD2 3.9Å; I749-L754 HydrophobicContact CG2-CB 4.21Å; I749-L754 PolarHBondContact O-N 3.11Å; L752-L754 HydrophobicContact CB-CD1 3.95Å; L752-L754 HydrophobicContact CB-CG 3.9Å; L752-L754 HydrophobicContact CD1-CD1 4.16Å

Retrieved 754 of 754 residues in 143.2 ms (Link to these results)

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